data_19452 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19452 _Entry.PDB_ID 2MCS 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 19452 _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 GLY N N 2 109.900 109.900 111.425 -1.525 19452 2 1 1 . 1 1 2 2 GLY C C 2 174.400 174.400 174.182 0.218 19452 3 1 1 . 1 1 2 2 GLY CA C 2 45.600 45.600 44.790 0.810 19452 4 1 1 . 1 1 2 2 GLY H H 2 8.480 8.480 8.419 0.061 19452 5 1 1 . 1 1 3 3 THR N N 3 113.700 113.700 116.620 -2.920 19452 6 1 1 . 1 1 3 3 THR C C 3 174.900 174.900 173.815 1.085 19452 7 1 1 . 1 1 3 3 THR CA C 3 62.400 62.400 61.606 0.794 19452 8 1 1 . 1 1 3 3 THR CB C 3 70.000 70.000 68.823 1.177 19452 9 1 1 . 1 1 3 3 THR H H 3 8.090 8.090 8.382 -0.292 19452 10 1 1 . 1 1 4 4 LEU N N 4 124.100 124.100 119.984 4.116 19452 11 1 1 . 1 1 4 4 LEU C C 4 177.600 177.600 178.366 -0.766 19452 12 1 1 . 1 1 4 4 LEU CA C 4 55.700 55.700 55.899 -0.199 19452 13 1 1 . 1 1 4 4 LEU CB C 4 42.300 42.300 42.396 -0.096 19452 14 1 1 . 1 1 4 4 LEU H H 4 8.400 8.400 7.745 0.655 19452 15 1 1 . 1 1 5 5 GLU N N 5 121.600 121.600 118.124 3.476 19452 16 1 1 . 1 1 5 5 GLU C C 5 176.500 176.500 176.540 -0.040 19452 17 1 1 . 1 1 5 5 GLU CA C 5 57.000 57.000 57.025 -0.025 19452 18 1 1 . 1 1 5 5 GLU CB C 5 29.900 29.900 29.116 0.784 19452 19 1 1 . 1 1 5 5 GLU H H 5 8.430 8.430 8.361 0.069 19452 20 1 1 . 1 1 6 6 ALA N N 6 124.500 124.500 123.902 0.598 19452 21 1 1 . 1 1 6 6 ALA C C 6 177.900 177.900 176.142 1.758 19452 22 1 1 . 1 1 6 6 ALA CA C 6 52.900 52.900 52.766 0.134 19452 23 1 1 . 1 1 6 6 ALA CB C 6 19.200 19.200 18.788 0.412 19452 24 1 1 . 1 1 6 6 ALA H H 6 8.330 8.330 7.677 0.653 19452 25 1 1 . 1 1 7 7 GLN N N 7 119.200 119.200 121.103 -1.903 19452 26 1 1 . 1 1 7 7 GLN C C 7 176.400 176.400 173.898 2.502 19452 27 1 1 . 1 1 7 7 GLN CA C 7 56.000 56.000 54.394 1.606 19452 28 1 1 . 1 1 7 7 GLN CB C 7 29.200 29.200 30.983 -1.783 19452 29 1 1 . 1 1 7 7 GLN H H 7 8.400 8.400 8.288 0.112 19452 30 1 1 . 1 1 8 8 THR N N 8 115.100 115.100 113.767 1.333 19452 31 1 1 . 1 1 8 8 THR C C 8 174.500 174.500 173.315 1.185 19452 32 1 1 . 1 1 8 8 THR CA C 8 62.300 62.300 61.239 1.060 19452 33 1 1 . 1 1 8 8 THR CB C 8 70.000 70.000 71.278 -1.278 19452 34 1 1 . 1 1 8 8 THR H H 8 8.210 8.210 8.437 -0.227 19452 35 1 1 . 1 1 9 9 GLN N N 9 122.300 122.300 118.485 3.815 19452 36 1 1 . 1 1 9 9 GLN C C 9 176.100 176.100 175.481 0.619 19452 37 1 1 . 1 1 9 9 GLN CA C 9 55.900 55.900 55.655 0.245 19452 38 1 1 . 1 1 9 9 GLN CB C 9 29.500 29.500 32.383 -2.883 19452 39 1 1 . 1 1 9 9 GLN H H 9 8.470 8.470 8.347 0.123 19452 40 1 1 . 1 1 10 10 GLY N N 10 110.300 110.300 110.546 -0.246 19452 41 1 1 . 1 1 10 10 GLY CA C 10 44.400 44.400 44.958 -0.558 19452 42 1 1 . 1 1 10 10 GLY H H 10 8.360 8.360 8.714 -0.354 19452 43 1 1 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.764 -0.324 19452 44 1 1 . 1 1 11 11 PRO C C 11 177.800 177.800 175.628 2.172 19452 45 1 1 . 1 1 11 11 PRO CA C 11 63.300 63.300 62.549 0.751 19452 46 1 1 . 1 1 11 11 PRO CB C 11 32.000 32.000 33.310 -1.310 19452 47 1 1 . 1 1 12 12 GLY N N 12 109.600 109.600 109.103 0.497 19452 48 1 1 . 1 1 12 12 GLY CA C 12 44.900 44.900 44.655 0.245 19452 49 1 1 . 1 1 12 12 GLY H H 12 8.600 8.600 8.096 0.504 19452 50 1 1 . 1 1 13 13 SER N N 13 114.700 114.700 118.134 -3.434 19452 51 1 1 . 1 1 13 13 SER HA H 13 4.510 4.510 4.336 0.174 19452 52 1 1 . 1 1 13 13 SER C C 13 175.300 175.300 173.580 1.720 19452 53 1 1 . 1 1 13 13 SER CA C 13 57.800 57.800 58.971 -1.171 19452 54 1 1 . 1 1 13 13 SER CB C 13 62.300 62.300 63.409 -1.109 19452 55 1 1 . 1 1 13 13 SER H H 13 8.130 8.130 8.434 -0.304 19452 56 1 1 . 1 1 14 14 MET N N 14 124.300 124.300 124.605 -0.305 19452 57 1 1 . 1 1 14 14 MET HA H 14 4.470 4.470 4.520 -0.050 19452 58 1 1 . 1 1 14 14 MET CA C 14 55.700 55.700 54.861 0.839 19452 59 1 1 . 1 1 14 14 MET CB C 14 32.700 32.700 33.931 -1.231 19452 60 1 1 . 1 1 14 14 MET H H 14 9.430 9.430 8.120 1.310 19452 61 1 1 . 1 1 15 15 ILE N N 15 122.600 122.600 122.607 -0.007 19452 62 1 1 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.175 -0.165 19452 63 1 1 . 1 1 15 15 ILE C C 15 175.300 175.300 176.196 -0.896 19452 64 1 1 . 1 1 15 15 ILE CA C 15 60.700 60.700 61.624 -0.924 19452 65 1 1 . 1 1 15 15 ILE CB C 15 37.500 37.500 37.162 0.338 19452 66 1 1 . 1 1 15 15 ILE H H 15 8.520 8.520 8.431 0.089 19452 67 1 1 . 1 1 16 16 GLU N N 16 129.300 129.300 121.764 7.536 19452 68 1 1 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.601 -0.231 19452 69 1 1 . 1 1 16 16 GLU C C 16 175.500 175.500 176.214 -0.714 19452 70 1 1 . 1 1 16 16 GLU CA C 16 56.100 56.100 55.289 0.811 19452 71 1 1 . 1 1 16 16 GLU CB C 16 31.400 31.400 31.311 0.089 19452 72 1 1 . 1 1 16 16 GLU H H 16 8.220 8.220 8.520 -0.300 19452 73 1 1 . 1 1 17 17 GLN N N 17 124.500 124.500 118.856 5.644 19452 74 1 1 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.554 0.566 19452 75 1 1 . 1 1 17 17 GLN C C 17 176.000 176.000 174.771 1.229 19452 76 1 1 . 1 1 17 17 GLN CA C 17 55.200 55.200 55.637 -0.437 19452 77 1 1 . 1 1 17 17 GLN CB C 17 30.400 30.400 28.261 2.139 19452 78 1 1 . 1 1 17 17 GLN H H 17 8.810 8.810 8.741 0.069 19452 79 1 1 . 1 1 18 18 ILE N N 18 118.700 118.700 121.412 -2.712 19452 80 1 1 . 1 1 18 18 ILE C C 18 174.400 174.400 173.895 0.505 19452 81 1 1 . 1 1 18 18 ILE CA C 18 59.600 59.600 60.966 -1.366 19452 82 1 1 . 1 1 18 18 ILE H H 18 8.840 8.840 7.963 0.877 19452 83 1 1 . 1 1 19 19 GLY C C 19 174.800 174.800 174.102 0.698 19452 84 1 1 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.808 -1.708 19452 85 1 1 . 1 1 20 20 ASP N N 20 119.100 119.100 119.716 -0.616 19452 86 1 1 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.748 -0.158 19452 87 1 1 . 1 1 20 20 ASP C C 20 179.900 179.900 175.197 4.703 19452 88 1 1 . 1 1 20 20 ASP CA C 20 58.000 58.000 54.356 3.644 19452 89 1 1 . 1 1 20 20 ASP H H 20 8.090 8.090 8.354 -0.264 19452 90 1 1 . 1 1 21 21 SER N N 21 112.000 112.000 116.718 -4.718 19452 91 1 1 . 1 1 21 21 SER HA H 21 4.320 4.320 4.873 -0.553 19452 92 1 1 . 1 1 21 21 SER CA C 21 60.700 60.700 57.881 2.819 19452 93 1 1 . 1 1 21 21 SER CB C 21 62.500 62.500 64.543 -2.043 19452 94 1 1 . 1 1 21 21 SER H H 21 8.750 8.750 8.424 0.326 19452 95 1 1 . 1 1 22 22 GLU N N 22 119.000 119.000 116.365 2.635 19452 96 1 1 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.431 0.149 19452 97 1 1 . 1 1 22 22 GLU C C 22 176.000 176.000 175.236 0.764 19452 98 1 1 . 1 1 22 22 GLU CA C 22 56.200 56.200 56.413 -0.213 19452 99 1 1 . 1 1 22 22 GLU CB C 22 31.600 31.600 30.322 1.278 19452 100 1 1 . 1 1 22 22 GLU H H 22 7.660 7.660 8.396 -0.736 19452 101 1 1 . 1 1 23 23 PHE N N 23 120.900 120.900 125.682 -4.782 19452 102 1 1 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.355 -0.785 19452 103 1 1 . 1 1 23 23 PHE C C 23 176.500 176.500 175.780 0.720 19452 104 1 1 . 1 1 23 23 PHE CA C 23 63.100 63.100 59.674 3.426 19452 105 1 1 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.223 1.477 19452 106 1 1 . 1 1 23 23 PHE H H 23 7.490 7.490 8.621 -1.131 19452 107 1 1 . 1 1 24 24 ASP N N 24 118.500 118.500 127.266 -8.766 19452 108 1 1 . 1 1 24 24 ASP HA H 24 4.630 4.630 4.959 -0.329 19452 109 1 1 . 1 1 24 24 ASP C C 24 178.400 178.400 174.898 3.502 19452 110 1 1 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.406 4.294 19452 111 1 1 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.823 -3.623 19452 112 1 1 . 1 1 24 24 ASP H H 24 8.900 8.900 8.818 0.082 19452 113 1 1 . 1 1 25 25 ASN N N 25 117.200 117.200 118.790 -1.590 19452 114 1 1 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.809 -0.609 19452 115 1 1 . 1 1 25 25 ASN C C 25 176.400 176.400 175.155 1.245 19452 116 1 1 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.563 3.437 19452 117 1 1 . 1 1 25 25 ASN CB C 25 39.000 39.000 39.404 -0.404 19452 118 1 1 . 1 1 26 26 LYS N N 26 112.800 112.800 118.369 -5.569 19452 119 1 1 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.666 -0.666 19452 120 1 1 . 1 1 26 26 LYS C C 26 175.500 175.500 174.613 0.887 19452 121 1 1 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.154 2.147 19452 122 1 1 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.130 -2.130 19452 123 1 1 . 1 1 26 26 LYS H H 26 7.730 7.730 8.790 -1.060 19452 124 1 1 . 1 1 27 27 VAL N N 27 114.500 114.500 116.492 -1.992 19452 125 1 1 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.420 -0.380 19452 126 1 1 . 1 1 27 27 VAL C C 27 177.900 177.900 175.433 2.467 19452 127 1 1 . 1 1 27 27 VAL CA C 27 63.700 63.700 60.626 3.074 19452 128 1 1 . 1 1 27 27 VAL H H 27 7.680 7.680 8.087 -0.407 19452 129 1 1 . 1 1 28 28 THR N N 28 110.000 110.000 113.527 -3.527 19452 130 1 1 . 1 1 28 28 THR HA H 28 3.710 3.710 4.055 -0.345 19452 131 1 1 . 1 1 28 28 THR C C 28 175.800 175.800 175.838 -0.038 19452 132 1 1 . 1 1 28 28 THR CA C 28 65.200 65.200 64.653 0.547 19452 133 1 1 . 1 1 28 28 THR CB C 28 68.100 68.100 68.514 -0.414 19452 134 1 1 . 1 1 28 28 THR H H 28 7.010 7.010 8.554 -1.544 19452 135 1 1 . 1 1 29 29 SER N N 29 113.600 113.600 114.265 -0.665 19452 136 1 1 . 1 1 29 29 SER HA H 29 4.480 4.480 4.353 0.127 19452 137 1 1 . 1 1 29 29 SER C C 29 174.200 174.200 175.773 -1.573 19452 138 1 1 . 1 1 29 29 SER CA C 29 58.500 58.500 60.679 -2.179 19452 139 1 1 . 1 1 29 29 SER CB C 29 63.300 63.300 63.427 -0.127 19452 140 1 1 . 1 1 29 29 SER H H 29 8.350 8.350 8.088 0.262 19452 141 1 1 . 1 1 30 30 CYS N N 30 120.000 120.000 118.817 1.183 19452 142 1 1 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.475 -0.355 19452 143 1 1 . 1 1 30 30 CYS C C 30 174.200 174.200 175.983 -1.783 19452 144 1 1 . 1 1 30 30 CYS CA C 30 69.700 69.700 59.220 10.480 19452 145 1 1 . 1 1 30 30 CYS CB C 30 27.800 27.800 26.753 1.047 19452 146 1 1 . 1 1 30 30 CYS H H 30 6.810 6.810 8.290 -1.480 19452 147 1 1 . 1 1 31 31 ASN N N 31 124.300 124.300 120.630 3.670 19452 148 1 1 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.213 0.897 19452 149 1 1 . 1 1 31 31 ASN C C 31 174.900 174.900 175.970 -1.070 19452 150 1 1 . 1 1 31 31 ASN CA C 31 52.400 52.400 56.990 -4.590 19452 151 1 1 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.359 0.141 19452 152 1 1 . 1 1 31 31 ASN H H 31 8.760 8.760 7.985 0.775 19452 153 1 1 . 1 1 32 32 ASP N N 32 119.000 119.000 116.677 2.323 19452 154 1 1 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.951 0.609 19452 155 1 1 . 1 1 32 32 ASP C C 32 176.600 176.600 178.968 -2.368 19452 156 1 1 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.714 -3.214 19452 157 1 1 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.960 2.040 19452 158 1 1 . 1 1 32 32 ASP H H 32 7.720 7.720 8.732 -1.012 19452 159 1 1 . 1 1 33 33 ASN N N 33 115.400 115.400 117.806 -2.406 19452 160 1 1 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.364 -0.194 19452 161 1 1 . 1 1 33 33 ASN C C 33 173.700 173.700 176.023 -2.323 19452 162 1 1 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.720 -1.420 19452 163 1 1 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.661 -0.861 19452 164 1 1 . 1 1 33 33 ASN H H 33 9.750 9.750 8.171 1.579 19452 165 1 1 . 1 1 34 34 ILE N N 34 120.700 120.700 114.038 6.662 19452 166 1 1 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.304 -0.284 19452 167 1 1 . 1 1 34 34 ILE C C 34 175.500 175.500 177.069 -1.569 19452 168 1 1 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.030 -2.630 19452 169 1 1 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.150 -1.650 19452 170 1 1 . 1 1 34 34 ILE H H 34 7.850 7.850 7.560 0.290 19452 171 1 1 . 1 1 35 35 LEU N N 35 128.400 128.400 121.876 6.524 19452 172 1 1 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.102 0.568 19452 173 1 1 . 1 1 35 35 LEU C C 35 173.700 173.700 178.430 -4.730 19452 174 1 1 . 1 1 35 35 LEU CA C 35 54.900 54.900 57.976 -3.076 19452 175 1 1 . 1 1 35 35 LEU CB C 35 42.400 42.400 42.327 0.073 19452 176 1 1 . 1 1 35 35 LEU H H 35 8.100 8.100 8.016 0.084 19452 177 1 1 . 1 1 36 36 ILE N N 36 128.800 128.800 121.054 7.746 19452 178 1 1 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.787 1.263 19452 179 1 1 . 1 1 36 36 ILE C C 36 175.800 175.800 177.344 -1.544 19452 180 1 1 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.648 -4.848 19452 181 1 1 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.225 2.675 19452 182 1 1 . 1 1 36 36 ILE H H 36 9.320 9.320 7.673 1.647 19452 183 1 1 . 1 1 37 37 LEU N N 37 129.600 129.600 120.674 8.926 19452 184 1 1 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.253 1.017 19452 185 1 1 . 1 1 37 37 LEU C C 37 175.500 175.500 176.789 -1.289 19452 186 1 1 . 1 1 37 37 LEU CA C 37 54.000 54.000 55.502 -1.502 19452 187 1 1 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.367 2.433 19452 188 1 1 . 1 1 37 37 LEU H H 37 9.400 9.400 7.732 1.668 19452 189 1 1 . 1 1 38 38 VAL N N 38 120.100 120.100 122.781 -2.681 19452 190 1 1 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.900 0.690 19452 191 1 1 . 1 1 38 38 VAL C C 38 174.000 174.000 175.279 -1.279 19452 192 1 1 . 1 1 38 38 VAL CA C 38 61.100 61.100 63.947 -2.847 19452 193 1 1 . 1 1 38 38 VAL CB C 38 33.500 33.500 31.623 1.877 19452 194 1 1 . 1 1 38 38 VAL H H 38 9.440 9.440 7.605 1.835 19452 195 1 1 . 1 1 39 39 ASP N N 39 125.600 125.600 126.610 -1.010 19452 196 1 1 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.730 0.440 19452 197 1 1 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.140 -2.240 19452 198 1 1 . 1 1 39 39 ASP CB C 39 38.800 38.800 40.688 -1.888 19452 199 1 1 . 1 1 39 39 ASP H H 39 9.240 9.240 8.408 0.832 19452 200 1 1 . 1 1 40 40 PHE N N 40 119.600 119.600 120.053 -0.453 19452 201 1 1 . 1 1 40 40 PHE H H 40 8.860 8.860 7.871 0.989 19452 202 1 1 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.443 -0.033 19452 203 1 1 . 1 1 53 53 PRO CA C 53 65.500 65.500 63.144 2.357 19452 204 1 1 . 1 1 53 53 PRO CB C 53 30.800 30.800 33.416 -2.616 19452 205 1 1 . 1 1 54 54 GLN N N 54 115.300 115.300 121.513 -6.213 19452 206 1 1 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.341 -0.141 19452 207 1 1 . 1 1 54 54 GLN C C 54 179.400 179.400 173.864 5.536 19452 208 1 1 . 1 1 54 54 GLN CA C 54 58.000 58.000 55.322 2.678 19452 209 1 1 . 1 1 54 54 GLN H H 54 7.080 7.080 7.745 -0.665 19452 210 1 1 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.402 -0.412 19452 211 1 1 . 1 1 55 55 LEU C C 55 178.700 178.700 175.944 2.756 19452 212 1 1 . 1 1 55 55 LEU CA C 55 57.300 57.300 55.397 1.903 19452 213 1 1 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.686 -1.386 19452 214 1 1 . 1 1 56 56 GLU N N 56 118.900 118.900 116.945 1.955 19452 215 1 1 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.500 -0.660 19452 216 1 1 . 1 1 56 56 GLU C C 56 179.100 179.100 175.394 3.706 19452 217 1 1 . 1 1 56 56 GLU CA C 56 59.500 59.500 54.843 4.657 19452 218 1 1 . 1 1 56 56 GLU CB C 56 29.000 29.000 31.747 -2.747 19452 219 1 1 . 1 1 56 56 GLU H H 56 8.150 8.150 7.672 0.478 19452 220 1 1 . 1 1 57 57 LYS N N 57 117.000 117.000 124.845 -7.845 19452 221 1 1 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.304 -0.234 19452 222 1 1 . 1 1 57 57 LYS C C 57 179.800 179.800 176.250 3.550 19452 223 1 1 . 1 1 57 57 LYS CA C 57 59.000 59.000 57.117 1.883 19452 224 1 1 . 1 1 57 57 LYS CB C 57 31.900 31.900 32.295 -0.396 19452 225 1 1 . 1 1 57 57 LYS H H 57 7.160 7.160 8.410 -1.250 19452 226 1 1 . 1 1 58 58 LEU N N 58 119.900 119.900 123.541 -3.641 19452 227 1 1 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.588 -0.388 19452 228 1 1 . 1 1 58 58 LEU C C 58 178.700 178.700 175.395 3.305 19452 229 1 1 . 1 1 58 58 LEU CA C 58 57.700 57.700 54.473 3.227 19452 230 1 1 . 1 1 58 58 LEU CB C 58 41.700 41.700 44.075 -2.375 19452 231 1 1 . 1 1 58 58 LEU H H 58 7.650 7.650 8.379 -0.729 19452 232 1 1 . 1 1 59 59 ALA N N 59 120.700 120.700 125.006 -4.306 19452 233 1 1 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.586 -0.726 19452 234 1 1 . 1 1 59 59 ALA C C 59 180.000 180.000 176.853 3.147 19452 235 1 1 . 1 1 59 59 ALA CA C 59 54.600 54.600 52.496 2.103 19452 236 1 1 . 1 1 59 59 ALA CB C 59 18.000 18.000 20.739 -2.739 19452 237 1 1 . 1 1 59 59 ALA H H 59 8.440 8.440 8.341 0.099 19452 238 1 1 . 1 1 60 60 GLN N N 60 113.100 113.100 121.634 -8.534 19452 239 1 1 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.990 -0.930 19452 240 1 1 . 1 1 60 60 GLN C C 60 177.800 177.800 174.598 3.202 19452 241 1 1 . 1 1 60 60 GLN CA C 60 57.500 57.500 52.539 4.961 19452 242 1 1 . 1 1 60 60 GLN CB C 60 28.800 28.800 28.090 0.710 19452 243 1 1 . 1 1 60 60 GLN H H 60 7.340 7.340 8.615 -1.275 19452 244 1 1 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.398 -0.368 19452 245 1 1 . 1 1 61 61 GLN C C 61 177.300 177.300 176.683 0.617 19452 246 1 1 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.061 0.739 19452 247 1 1 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.269 -0.269 19452 248 1 1 . 1 1 62 62 TYR N N 62 117.300 117.300 118.678 -1.378 19452 249 1 1 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.280 0.700 19452 250 1 1 . 1 1 62 62 TYR C C 62 175.800 175.800 178.287 -2.487 19452 251 1 1 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.905 -4.805 19452 252 1 1 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.445 0.455 19452 253 1 1 . 1 1 62 62 TYR H H 62 7.950 7.950 8.669 -0.719 19452 254 1 1 . 1 1 63 63 THR N N 63 111.900 111.900 112.682 -0.782 19452 255 1 1 . 1 1 63 63 THR HA H 63 4.190 4.190 3.972 0.218 19452 256 1 1 . 1 1 63 63 THR C C 63 175.700 175.700 176.835 -1.135 19452 257 1 1 . 1 1 63 63 THR CA C 63 64.600 64.600 65.646 -1.046 19452 258 1 1 . 1 1 63 63 THR CB C 63 69.200 69.200 68.352 0.848 19452 259 1 1 . 1 1 63 63 THR H H 63 7.110 7.110 7.635 -0.525 19452 260 1 1 . 1 1 64 64 GLU N N 64 117.500 117.500 118.504 -1.004 19452 261 1 1 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.981 0.319 19452 262 1 1 . 1 1 64 64 GLU C C 64 177.400 177.400 178.941 -1.541 19452 263 1 1 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.238 -1.238 19452 264 1 1 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.202 0.898 19452 265 1 1 . 1 1 64 64 GLU H H 64 8.610 8.610 7.800 0.810 19452 266 1 1 . 1 1 65 65 ASN N N 65 113.300 113.300 118.875 -5.575 19452 267 1 1 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.451 0.539 19452 268 1 1 . 1 1 65 65 ASN C C 65 173.600 173.600 178.264 -4.664 19452 269 1 1 . 1 1 65 65 ASN CA C 65 54.000 54.000 55.634 -1.634 19452 270 1 1 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.131 2.969 19452 271 1 1 . 1 1 65 65 ASN H H 65 8.050 8.050 8.209 -0.159 19452 272 1 1 . 1 1 66 66 VAL N N 66 119.200 119.200 117.245 1.955 19452 273 1 1 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.900 1.640 19452 274 1 1 . 1 1 66 66 VAL C C 66 174.900 174.900 178.057 -3.157 19452 275 1 1 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.460 -4.561 19452 276 1 1 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.848 4.852 19452 277 1 1 . 1 1 66 66 VAL H H 66 7.890 7.890 8.075 -0.185 19452 278 1 1 . 1 1 67 67 LYS N N 67 127.600 127.600 119.578 8.022 19452 279 1 1 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.889 0.671 19452 280 1 1 . 1 1 67 67 LYS C C 67 173.600 173.600 178.592 -4.992 19452 281 1 1 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.390 -5.290 19452 282 1 1 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.707 4.493 19452 283 1 1 . 1 1 67 67 LYS H H 67 8.700 8.700 8.258 0.442 19452 284 1 1 . 1 1 68 68 ILE N N 68 123.200 123.200 115.779 7.421 19452 285 1 1 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.911 0.669 19452 286 1 1 . 1 1 68 68 ILE C C 68 173.900 173.900 178.888 -4.988 19452 287 1 1 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.331 -2.831 19452 288 1 1 . 1 1 68 68 ILE CB C 68 38.500 38.500 38.133 0.367 19452 289 1 1 . 1 1 68 68 ILE H H 68 8.770 8.770 7.693 1.077 19452 290 1 1 . 1 1 69 69 TYR N N 69 124.400 124.400 118.631 5.769 19452 291 1 1 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.265 1.395 19452 292 1 1 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.113 -4.513 19452 293 1 1 . 1 1 69 69 TYR CB C 69 43.400 43.400 39.053 4.347 19452 294 1 1 . 1 1 69 69 TYR H H 69 9.060 9.060 7.673 1.387 19452 295 1 1 . 1 1 73 73 ILE C C 73 177.400 177.400 173.773 3.627 19452 296 1 1 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.235 1.365 19452 297 1 1 . 1 1 74 74 GLU N N 74 121.800 121.800 118.640 3.160 19452 298 1 1 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.655 -0.375 19452 299 1 1 . 1 1 74 74 GLU C C 74 177.800 177.800 174.217 3.583 19452 300 1 1 . 1 1 74 74 GLU CA C 74 58.900 58.900 55.278 3.622 19452 301 1 1 . 1 1 74 74 GLU CB C 74 29.700 29.700 33.434 -3.734 19452 302 1 1 . 1 1 74 74 GLU H H 74 8.560 8.560 7.826 0.734 19452 303 1 1 . 1 1 75 75 ASP N N 75 114.200 114.200 124.620 -10.420 19452 304 1 1 . 1 1 75 75 ASP C C 75 175.800 175.800 173.741 2.059 19452 305 1 1 . 1 1 75 75 ASP CA C 75 54.000 54.000 52.590 1.410 19452 306 1 1 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.052 -2.252 19452 307 1 1 . 1 1 75 75 ASP H H 75 6.840 6.840 8.867 -2.027 19452 308 1 1 . 1 1 76 76 ASN N N 76 118.400 118.400 118.355 0.045 19452 309 1 1 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.491 -0.471 19452 310 1 1 . 1 1 76 76 ASN C C 76 174.000 174.000 173.465 0.535 19452 311 1 1 . 1 1 76 76 ASN CA C 76 53.700 53.700 51.870 1.829 19452 312 1 1 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.541 -0.941 19452 313 1 1 . 1 1 76 76 ASN H H 76 7.600 7.600 8.230 -0.630 19452 314 1 1 . 1 1 77 77 GLN N N 77 122.000 122.000 122.097 -0.097 19452 315 1 1 . 1 1 77 77 GLN HA H 77 4.740 4.740 5.025 -0.285 19452 316 1 1 . 1 1 77 77 GLN C C 77 177.800 177.800 174.424 3.376 19452 317 1 1 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.944 2.457 19452 318 1 1 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.559 -2.959 19452 319 1 1 . 1 1 77 77 GLN H H 77 9.040 9.040 9.053 -0.013 19452 320 1 1 . 1 1 78 78 ASP N N 78 125.900 125.900 117.872 8.028 19452 321 1 1 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.578 -1.168 19452 322 1 1 . 1 1 78 78 ASP C C 78 178.900 178.900 174.924 3.976 19452 323 1 1 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.676 7.024 19452 324 1 1 . 1 1 78 78 ASP CB C 78 40.000 40.000 45.333 -5.333 19452 325 1 1 . 1 1 78 78 ASP H H 78 10.210 10.210 8.920 1.290 19452 326 1 1 . 1 1 79 79 VAL N N 79 123.800 123.800 118.821 4.979 19452 327 1 1 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.330 -0.840 19452 328 1 1 . 1 1 79 79 VAL C C 79 178.400 178.400 175.983 2.417 19452 329 1 1 . 1 1 79 79 VAL CA C 79 66.500 66.500 60.331 6.170 19452 330 1 1 . 1 1 79 79 VAL CB C 79 30.500 30.500 33.543 -3.043 19452 331 1 1 . 1 1 79 79 VAL H H 79 8.130 8.130 8.433 -0.303 19452 332 1 1 . 1 1 80 80 ALA N N 80 121.800 121.800 130.383 -8.583 19452 333 1 1 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.213 -0.703 19452 334 1 1 . 1 1 80 80 ALA C C 80 179.600 179.600 177.345 2.255 19452 335 1 1 . 1 1 80 80 ALA CA C 80 54.900 54.900 54.213 0.687 19452 336 1 1 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.507 -2.207 19452 337 1 1 . 1 1 80 80 ALA H H 80 9.250 9.250 8.241 1.009 19452 338 1 1 . 1 1 81 81 THR N N 81 113.200 113.200 114.193 -0.993 19452 339 1 1 . 1 1 81 81 THR HA H 81 3.960 3.960 4.452 -0.492 19452 340 1 1 . 1 1 81 81 THR C C 81 177.700 177.700 174.500 3.200 19452 341 1 1 . 1 1 81 81 THR CA C 81 66.400 66.400 59.979 6.421 19452 342 1 1 . 1 1 81 81 THR CB C 81 68.500 68.500 69.436 -0.936 19452 343 1 1 . 1 1 81 81 THR H H 81 7.990 7.990 8.256 -0.266 19452 344 1 1 . 1 1 82 82 GLN N N 82 123.800 123.800 123.588 0.212 19452 345 1 1 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.319 -0.469 19452 346 1 1 . 1 1 82 82 GLN C C 82 177.900 177.900 175.802 2.098 19452 347 1 1 . 1 1 82 82 GLN CA C 82 58.900 58.900 57.126 1.774 19452 348 1 1 . 1 1 82 82 GLN CB C 82 28.000 28.000 29.134 -1.134 19452 349 1 1 . 1 1 82 82 GLN H H 82 8.170 8.170 8.533 -0.363 19452 350 1 1 . 1 1 83 83 TYR N N 83 112.900 112.900 118.332 -5.432 19452 351 1 1 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.437 -0.007 19452 352 1 1 . 1 1 83 83 TYR C C 83 175.300 175.300 175.794 -0.494 19452 353 1 1 . 1 1 83 83 TYR CA C 83 59.000 59.000 59.442 -0.442 19452 354 1 1 . 1 1 83 83 TYR CB C 83 38.500 38.500 38.477 0.023 19452 355 1 1 . 1 1 83 83 TYR H H 83 7.780 7.780 8.271 -0.491 19452 356 1 1 . 1 1 84 84 GLY N N 84 110.200 110.200 107.696 2.504 19452 357 1 1 . 1 1 84 84 GLY C C 84 175.300 175.300 172.718 2.582 19452 358 1 1 . 1 1 84 84 GLY CA C 84 47.100 47.100 44.605 2.495 19452 359 1 1 . 1 1 84 84 GLY H H 84 7.670 7.670 7.975 -0.305 19452 360 1 1 . 1 1 85 85 VAL N N 85 121.300 121.300 122.506 -1.206 19452 361 1 1 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.477 -0.607 19452 362 1 1 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.936 1.064 19452 363 1 1 . 1 1 85 85 VAL CB C 85 30.500 30.500 34.521 -4.021 19452 364 1 1 . 1 1 85 85 VAL H H 85 8.500 8.500 8.152 0.348 19452 365 1 1 . 1 1 90 90 THR HA H 90 5.170 5.170 4.020 1.150 19452 366 1 1 . 1 1 90 90 THR C C 90 172.300 172.300 176.494 -4.194 19452 367 1 1 . 1 1 90 90 THR CA C 90 63.500 63.500 64.376 -0.876 19452 368 1 1 . 1 1 90 90 THR CB C 90 73.300 73.300 68.350 4.950 19452 369 1 1 . 1 1 91 91 ILE N N 91 126.600 126.600 116.300 10.300 19452 370 1 1 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.120 1.470 19452 371 1 1 . 1 1 91 91 ILE C C 91 175.900 175.900 176.731 -0.831 19452 372 1 1 . 1 1 91 91 ILE CA C 91 58.400 58.400 60.851 -2.451 19452 373 1 1 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.355 1.645 19452 374 1 1 . 1 1 91 91 ILE H H 91 9.340 9.340 7.499 1.841 19452 375 1 1 . 1 1 92 92 LEU N N 92 125.700 125.700 119.941 5.759 19452 376 1 1 . 1 1 92 92 LEU HA H 92 5.120 5.120 4.038 1.082 19452 377 1 1 . 1 1 92 92 LEU C C 92 176.100 176.100 176.223 -0.123 19452 378 1 1 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.720 -1.620 19452 379 1 1 . 1 1 92 92 LEU H H 92 9.120 9.120 7.845 1.275 19452 380 1 1 . 1 1 93 93 MET N N 93 117.700 117.700 120.021 -2.321 19452 381 1 1 . 1 1 93 93 MET HA H 93 5.860 5.860 4.574 1.286 19452 382 1 1 . 1 1 93 93 MET C C 93 174.400 174.400 175.670 -1.270 19452 383 1 1 . 1 1 93 93 MET CA C 93 54.400 54.400 53.724 0.676 19452 384 1 1 . 1 1 93 93 MET CB C 93 34.100 34.100 32.627 1.473 19452 385 1 1 . 1 1 93 93 MET H H 93 8.080 8.080 8.189 -0.109 19452 386 1 1 . 1 1 94 94 PHE N N 94 123.300 123.300 127.183 -3.883 19452 387 1 1 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.189 1.381 19452 388 1 1 . 1 1 94 94 PHE C C 94 174.800 174.800 176.317 -1.517 19452 389 1 1 . 1 1 94 94 PHE CA C 94 55.900 55.900 58.315 -2.415 19452 390 1 1 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.223 5.577 19452 391 1 1 . 1 1 94 94 PHE H H 94 9.990 9.990 8.285 1.705 19452 392 1 1 . 1 1 95 95 LYS N N 95 117.100 117.100 119.631 -2.531 19452 393 1 1 . 1 1 95 95 LYS C C 95 176.500 176.500 176.437 0.063 19452 394 1 1 . 1 1 95 95 LYS CA C 95 57.500 57.500 58.003 -0.503 19452 395 1 1 . 1 1 95 95 LYS CB C 95 37.200 37.200 32.200 5.000 19452 396 1 1 . 1 1 95 95 LYS H H 95 8.630 8.630 8.293 0.337 19452 397 1 1 . 1 1 96 96 ASN N N 96 130.400 130.400 117.136 13.264 19452 398 1 1 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.619 0.201 19452 399 1 1 . 1 1 96 96 ASN C C 96 175.900 175.900 174.183 1.717 19452 400 1 1 . 1 1 96 96 ASN CA C 96 54.500 54.500 49.852 4.648 19452 401 1 1 . 1 1 96 96 ASN CB C 96 36.900 36.900 37.606 -0.706 19452 402 1 1 . 1 1 96 96 ASN H H 96 10.190 10.190 7.829 2.361 19452 403 1 1 . 1 1 97 97 GLY C C 97 173.700 173.700 173.895 -0.195 19452 404 1 1 . 1 1 97 97 GLY CA C 97 46.000 46.000 44.744 1.256 19452 405 1 1 . 1 1 98 98 LYS N N 98 120.300 120.300 124.369 -4.069 19452 406 1 1 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.733 0.007 19452 407 1 1 . 1 1 98 98 LYS C C 98 175.500 175.500 175.323 0.177 19452 408 1 1 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.854 -1.154 19452 409 1 1 . 1 1 98 98 LYS CB C 98 34.200 34.200 35.666 -1.466 19452 410 1 1 . 1 1 98 98 LYS H H 98 7.840 7.840 8.001 -0.161 19452 411 1 1 . 1 1 99 99 LYS N N 99 124.900 124.900 123.750 1.150 19452 412 1 1 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.098 -1.488 19452 413 1 1 . 1 1 99 99 LYS C C 99 176.300 176.300 175.007 1.293 19452 414 1 1 . 1 1 99 99 LYS CA C 99 56.600 56.600 55.192 1.408 19452 415 1 1 . 1 1 99 99 LYS CB C 99 31.500 31.500 34.381 -2.881 19452 416 1 1 . 1 1 99 99 LYS H H 99 8.880 8.880 8.823 0.057 19452 417 1 1 . 1 1 100 100 LEU N N 100 128.800 128.800 127.156 1.644 19452 418 1 1 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.579 -0.139 19452 419 1 1 . 1 1 100 100 LEU C C 100 177.400 177.400 175.420 1.980 19452 420 1 1 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.461 1.839 19452 421 1 1 . 1 1 100 100 LEU CB C 100 44.100 44.100 44.545 -0.445 19452 422 1 1 . 1 1 100 100 LEU H H 100 9.320 9.320 8.778 0.542 19452 423 1 1 . 1 1 101 101 SER N N 101 109.000 109.000 117.752 -8.752 19452 424 1 1 . 1 1 101 101 SER HA H 101 4.550 4.550 4.862 -0.312 19452 425 1 1 . 1 1 101 101 SER C C 101 172.400 172.400 173.305 -0.905 19452 426 1 1 . 1 1 101 101 SER CA C 101 57.200 57.200 57.941 -0.741 19452 427 1 1 . 1 1 101 101 SER CB C 101 64.400 64.400 64.025 0.375 19452 428 1 1 . 1 1 101 101 SER H H 101 7.260 7.260 8.660 -1.400 19452 429 1 1 . 1 1 102 102 GLN N N 102 119.900 119.900 123.003 -3.103 19452 430 1 1 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.128 0.092 19452 431 1 1 . 1 1 102 102 GLN C C 102 173.800 173.800 174.946 -1.146 19452 432 1 1 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.685 0.715 19452 433 1 1 . 1 1 102 102 GLN CB C 102 31.800 31.800 32.787 -0.987 19452 434 1 1 . 1 1 102 102 GLN H H 102 8.230 8.230 8.807 -0.577 19452 435 1 1 . 1 1 103 103 VAL N N 103 123.800 123.800 119.869 3.931 19452 436 1 1 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.326 0.004 19452 437 1 1 . 1 1 103 103 VAL C C 103 174.600 174.600 175.358 -0.758 19452 438 1 1 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.508 -0.808 19452 439 1 1 . 1 1 103 103 VAL CB C 103 34.600 34.600 35.010 -0.410 19452 440 1 1 . 1 1 103 103 VAL H H 103 9.310 9.310 8.890 0.420 19452 441 1 1 . 1 1 104 104 ILE N N 104 129.400 129.400 127.382 2.018 19452 442 1 1 . 1 1 104 104 ILE C C 104 176.400 176.400 176.103 0.297 19452 443 1 1 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.412 -0.912 19452 444 1 1 . 1 1 104 104 ILE CB C 104 38.700 38.700 36.884 1.816 19452 445 1 1 . 1 1 104 104 ILE H H 104 8.970 8.970 9.081 -0.111 19452 446 1 1 . 1 1 105 105 GLY N N 105 115.400 115.400 103.089 12.311 19452 447 1 1 . 1 1 105 105 GLY C C 105 172.700 172.700 173.346 -0.646 19452 448 1 1 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.410 -1.710 19452 449 1 1 . 1 1 105 105 GLY H H 105 8.500 8.500 8.592 -0.092 19452 450 1 1 . 1 1 106 106 ALA N N 106 120.200 120.200 122.932 -2.732 19452 451 1 1 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.716 -0.336 19452 452 1 1 . 1 1 106 106 ALA C C 106 176.300 176.300 175.795 0.505 19452 453 1 1 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.785 -0.285 19452 454 1 1 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.257 -3.857 19452 455 1 1 . 1 1 106 106 ALA H H 106 8.360 8.360 7.827 0.533 19452 456 1 1 . 1 1 107 107 ASP N N 107 121.100 121.100 125.069 -3.969 19452 457 1 1 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.025 -0.255 19452 458 1 1 . 1 1 107 107 ASP C C 107 176.600 176.600 175.439 1.161 19452 459 1 1 . 1 1 107 107 ASP CA C 107 52.600 52.600 54.690 -2.090 19452 460 1 1 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.206 -0.606 19452 461 1 1 . 1 1 107 107 ASP H H 107 7.610 7.610 8.813 -1.203 19452 462 1 1 . 1 1 108 108 ILE N N 108 125.700 125.700 122.583 3.117 19452 463 1 1 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.439 -0.429 19452 464 1 1 . 1 1 108 108 ILE C C 108 176.400 176.400 176.341 0.059 19452 465 1 1 . 1 1 108 108 ILE CA C 108 60.700 60.700 61.255 -0.555 19452 466 1 1 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.239 0.061 19452 467 1 1 . 1 1 108 108 ILE H H 108 8.550 8.550 8.767 -0.217 19452 468 1 1 . 1 1 109 109 SER N N 109 117.700 117.700 111.635 6.065 19452 469 1 1 . 1 1 109 109 SER HA H 109 4.180 4.180 4.549 -0.369 19452 470 1 1 . 1 1 109 109 SER C C 109 177.300 177.300 172.036 5.264 19452 471 1 1 . 1 1 109 109 SER CA C 109 61.700 61.700 58.231 3.469 19452 472 1 1 . 1 1 109 109 SER CB C 109 62.100 62.100 65.196 -3.096 19452 473 1 1 . 1 1 109 109 SER H H 109 8.330 8.330 7.403 0.927 19452 474 1 1 . 1 1 110 110 LYS N N 110 123.200 123.200 120.100 3.100 19452 475 1 1 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.883 -0.663 19452 476 1 1 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.083 3.017 19452 477 1 1 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.864 -2.564 19452 478 1 1 . 1 1 110 110 LYS H H 110 7.480 7.480 8.268 -0.788 19452 479 1 1 . 1 1 111 111 ILE N N 111 119.300 119.300 125.207 -5.907 19452 480 1 1 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.405 -0.375 19452 481 1 1 . 1 1 111 111 ILE C C 111 177.200 177.200 174.565 2.635 19452 482 1 1 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.525 0.575 19452 483 1 1 . 1 1 111 111 ILE CB C 111 37.800 37.800 40.189 -2.389 19452 484 1 1 . 1 1 111 111 ILE H H 111 7.640 7.640 8.682 -1.042 19452 485 1 1 . 1 1 112 112 ILE N N 112 118.700 118.700 126.084 -7.384 19452 486 1 1 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.254 -0.824 19452 487 1 1 . 1 1 112 112 ILE C C 112 177.700 177.700 176.102 1.598 19452 488 1 1 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.683 5.417 19452 489 1 1 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.685 -0.185 19452 490 1 1 . 1 1 112 112 ILE H H 112 8.410 8.410 8.460 -0.050 19452 491 1 1 . 1 1 113 113 SER N N 113 113.800 113.800 122.344 -8.544 19452 492 1 1 . 1 1 113 113 SER HA H 113 4.200 4.200 4.290 -0.090 19452 493 1 1 . 1 1 113 113 SER C C 113 177.200 177.200 172.715 4.485 19452 494 1 1 . 1 1 113 113 SER CA C 113 62.000 62.000 58.086 3.914 19452 495 1 1 . 1 1 113 113 SER H H 113 7.920 7.920 8.438 -0.518 19452 496 1 1 . 1 1 114 114 GLU N N 114 119.400 119.400 121.458 -2.058 19452 497 1 1 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.626 -0.476 19452 498 1 1 . 1 1 114 114 GLU C C 114 179.900 179.900 175.770 4.130 19452 499 1 1 . 1 1 114 114 GLU CA C 114 58.500 58.500 55.210 3.290 19452 500 1 1 . 1 1 114 114 GLU CB C 114 27.300 27.300 29.521 -2.221 19452 501 1 1 . 1 1 114 114 GLU H H 114 8.010 8.010 8.657 -0.647 19452 502 1 1 . 1 1 115 115 ILE N N 115 121.700 121.700 123.945 -2.245 19452 503 1 1 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.343 -0.963 19452 504 1 1 . 1 1 115 115 ILE C C 115 178.100 178.100 175.713 2.387 19452 505 1 1 . 1 1 115 115 ILE CA C 115 66.000 66.000 60.711 5.289 19452 506 1 1 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.925 -0.225 19452 507 1 1 . 1 1 115 115 ILE H H 115 8.370 8.370 7.768 0.602 19452 508 1 1 . 1 1 116 116 ASN N N 116 116.100 116.100 124.489 -8.389 19452 509 1 1 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.369 -0.039 19452 510 1 1 . 1 1 116 116 ASN C C 116 177.900 177.900 175.868 2.032 19452 511 1 1 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.117 0.783 19452 512 1 1 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.962 -1.362 19452 513 1 1 . 1 1 116 116 ASN H H 116 8.230 8.230 8.037 0.193 19452 514 1 1 . 1 1 117 117 ASN N N 117 115.400 115.400 115.213 0.187 19452 515 1 1 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.436 0.194 19452 516 1 1 . 1 1 117 117 ASN C C 117 176.200 176.200 177.078 -0.878 19452 517 1 1 . 1 1 117 117 ASN CA C 117 54.300 54.300 55.978 -1.678 19452 518 1 1 . 1 1 117 117 ASN CB C 117 39.100 39.100 38.047 1.052 19452 519 1 1 . 1 1 117 117 ASN H H 117 7.930 7.930 8.516 -0.586 19452 520 1 1 . 1 1 118 118 ASN N N 118 115.400 115.400 120.877 -5.477 19452 521 1 1 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.616 0.394 19452 522 1 1 . 1 1 118 118 ASN C C 118 174.400 174.400 177.296 -2.896 19452 523 1 1 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.242 -1.042 19452 524 1 1 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.547 3.652 19452 525 1 1 . 1 1 118 118 ASN H H 118 7.710 7.710 7.790 -0.080 19452 526 1 1 . 1 1 119 119 ILE N N 119 117.300 117.300 117.632 -0.332 19452 527 1 1 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.786 0.534 19452 528 1 1 . 1 1 119 119 ILE C C 119 174.900 174.900 177.995 -3.095 19452 529 1 1 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.891 -2.691 19452 530 1 1 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.445 1.755 19452 531 1 1 . 1 1 119 119 ILE H H 119 7.520 7.520 8.108 -0.588 19452 532 1 1 . 1 1 120 120 ASN N N 120 124.900 124.900 114.216 10.684 19452 533 1 1 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.567 -0.057 19452 534 1 1 . 1 1 120 120 ASN CA C 120 55.000 55.000 55.917 -0.917 19452 535 1 1 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.976 2.224 19452 536 1 1 . 1 1 120 120 ASN H H 120 7.960 7.960 8.109 -0.149 19452 537 1 2 . 1 1 2 2 GLY N N 2 109.900 109.900 110.501 -0.601 19452 538 1 2 . 1 1 2 2 GLY C C 2 174.400 174.400 172.725 1.675 19452 539 1 2 . 1 1 2 2 GLY CA C 2 45.600 45.600 44.325 1.275 19452 540 1 2 . 1 1 2 2 GLY H H 2 8.480 8.480 8.838 -0.358 19452 541 1 2 . 1 1 3 3 THR N N 3 113.700 113.700 115.543 -1.843 19452 542 1 2 . 1 1 3 3 THR C C 3 174.900 174.900 173.595 1.305 19452 543 1 2 . 1 1 3 3 THR CA C 3 62.400 62.400 62.492 -0.092 19452 544 1 2 . 1 1 3 3 THR CB C 3 70.000 70.000 69.969 0.031 19452 545 1 2 . 1 1 3 3 THR H H 3 8.090 8.090 8.850 -0.760 19452 546 1 2 . 1 1 4 4 LEU N N 4 124.100 124.100 119.520 4.580 19452 547 1 2 . 1 1 4 4 LEU C C 4 177.600 177.600 176.093 1.507 19452 548 1 2 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.214 1.486 19452 549 1 2 . 1 1 4 4 LEU CB C 4 42.300 42.300 44.126 -1.826 19452 550 1 2 . 1 1 4 4 LEU H H 4 8.400 8.400 8.688 -0.288 19452 551 1 2 . 1 1 5 5 GLU N N 5 121.600 121.600 119.514 2.086 19452 552 1 2 . 1 1 5 5 GLU C C 5 176.500 176.500 175.729 0.771 19452 553 1 2 . 1 1 5 5 GLU CA C 5 57.000 57.000 55.676 1.324 19452 554 1 2 . 1 1 5 5 GLU CB C 5 29.900 29.900 31.404 -1.504 19452 555 1 2 . 1 1 5 5 GLU H H 5 8.430 8.430 8.628 -0.198 19452 556 1 2 . 1 1 6 6 ALA N N 6 124.500 124.500 121.465 3.035 19452 557 1 2 . 1 1 6 6 ALA C C 6 177.900 177.900 176.392 1.508 19452 558 1 2 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.750 1.150 19452 559 1 2 . 1 1 6 6 ALA CB C 6 19.200 19.200 20.162 -0.962 19452 560 1 2 . 1 1 6 6 ALA H H 6 8.330 8.330 8.087 0.243 19452 561 1 2 . 1 1 7 7 GLN N N 7 119.200 119.200 116.554 2.646 19452 562 1 2 . 1 1 7 7 GLN C C 7 176.400 176.400 175.617 0.783 19452 563 1 2 . 1 1 7 7 GLN CA C 7 56.000 56.000 55.055 0.945 19452 564 1 2 . 1 1 7 7 GLN CB C 7 29.200 29.200 30.542 -1.342 19452 565 1 2 . 1 1 7 7 GLN H H 7 8.400 8.400 8.974 -0.574 19452 566 1 2 . 1 1 8 8 THR N N 8 115.100 115.100 115.264 -0.164 19452 567 1 2 . 1 1 8 8 THR C C 8 174.500 174.500 174.980 -0.480 19452 568 1 2 . 1 1 8 8 THR CA C 8 62.300 62.300 62.099 0.201 19452 569 1 2 . 1 1 8 8 THR CB C 8 70.000 70.000 69.663 0.337 19452 570 1 2 . 1 1 8 8 THR H H 8 8.210 8.210 8.417 -0.207 19452 571 1 2 . 1 1 9 9 GLN N N 9 122.300 122.300 118.517 3.783 19452 572 1 2 . 1 1 9 9 GLN C C 9 176.100 176.100 176.232 -0.132 19452 573 1 2 . 1 1 9 9 GLN CA C 9 55.900 55.900 57.611 -1.711 19452 574 1 2 . 1 1 9 9 GLN CB C 9 29.500 29.500 29.974 -0.475 19452 575 1 2 . 1 1 9 9 GLN H H 9 8.470 8.470 9.067 -0.597 19452 576 1 2 . 1 1 10 10 GLY N N 10 110.300 110.300 108.406 1.894 19452 577 1 2 . 1 1 10 10 GLY CA C 10 44.400 44.400 44.621 -0.221 19452 578 1 2 . 1 1 10 10 GLY H H 10 8.360 8.360 8.640 -0.280 19452 579 1 2 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.594 -0.154 19452 580 1 2 . 1 1 11 11 PRO C C 11 177.800 177.800 175.866 1.934 19452 581 1 2 . 1 1 11 11 PRO CA C 11 63.300 63.300 62.574 0.726 19452 582 1 2 . 1 1 11 11 PRO CB C 11 32.000 32.000 32.423 -0.423 19452 583 1 2 . 1 1 12 12 GLY N N 12 109.600 109.600 107.534 2.066 19452 584 1 2 . 1 1 12 12 GLY CA C 12 44.900 44.900 44.718 0.182 19452 585 1 2 . 1 1 12 12 GLY H H 12 8.600 8.600 8.537 0.063 19452 586 1 2 . 1 1 13 13 SER N N 13 114.700 114.700 115.914 -1.214 19452 587 1 2 . 1 1 13 13 SER HA H 13 4.510 4.510 4.577 -0.067 19452 588 1 2 . 1 1 13 13 SER C C 13 175.300 175.300 173.485 1.815 19452 589 1 2 . 1 1 13 13 SER CA C 13 57.800 57.800 57.538 0.262 19452 590 1 2 . 1 1 13 13 SER CB C 13 62.300 62.300 65.024 -2.724 19452 591 1 2 . 1 1 13 13 SER H H 13 8.130 8.130 8.032 0.098 19452 592 1 2 . 1 1 14 14 MET N N 14 124.300 124.300 119.535 4.765 19452 593 1 2 . 1 1 14 14 MET HA H 14 4.470 4.470 4.490 -0.020 19452 594 1 2 . 1 1 14 14 MET CA C 14 55.700 55.700 56.122 -0.422 19452 595 1 2 . 1 1 14 14 MET CB C 14 32.700 32.700 33.030 -0.330 19452 596 1 2 . 1 1 14 14 MET H H 14 9.430 9.430 8.388 1.042 19452 597 1 2 . 1 1 15 15 ILE N N 15 122.600 122.600 119.393 3.207 19452 598 1 2 . 1 1 15 15 ILE HA H 15 4.010 4.010 3.993 0.017 19452 599 1 2 . 1 1 15 15 ILE C C 15 175.300 175.300 174.600 0.700 19452 600 1 2 . 1 1 15 15 ILE CA C 15 60.700 60.700 61.345 -0.645 19452 601 1 2 . 1 1 15 15 ILE CB C 15 37.500 37.500 36.952 0.548 19452 602 1 2 . 1 1 15 15 ILE H H 15 8.520 8.520 8.405 0.115 19452 603 1 2 . 1 1 16 16 GLU N N 16 129.300 129.300 117.311 11.989 19452 604 1 2 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.427 -0.057 19452 605 1 2 . 1 1 16 16 GLU C C 16 175.500 175.500 176.205 -0.705 19452 606 1 2 . 1 1 16 16 GLU CA C 16 56.100 56.100 56.272 -0.172 19452 607 1 2 . 1 1 16 16 GLU CB C 16 31.400 31.400 30.208 1.192 19452 608 1 2 . 1 1 16 16 GLU H H 16 8.220 8.220 7.916 0.304 19452 609 1 2 . 1 1 17 17 GLN N N 17 124.500 124.500 123.424 1.076 19452 610 1 2 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.726 0.394 19452 611 1 2 . 1 1 17 17 GLN C C 17 176.000 176.000 174.735 1.265 19452 612 1 2 . 1 1 17 17 GLN CA C 17 55.200 55.200 54.663 0.536 19452 613 1 2 . 1 1 17 17 GLN CB C 17 30.400 30.400 30.280 0.120 19452 614 1 2 . 1 1 17 17 GLN H H 17 8.810 8.810 8.620 0.190 19452 615 1 2 . 1 1 18 18 ILE N N 18 118.700 118.700 121.017 -2.317 19452 616 1 2 . 1 1 18 18 ILE C C 18 174.400 174.400 174.219 0.181 19452 617 1 2 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.131 -1.531 19452 618 1 2 . 1 1 18 18 ILE H H 18 8.840 8.840 8.364 0.476 19452 619 1 2 . 1 1 19 19 GLY C C 19 174.800 174.800 174.032 0.768 19452 620 1 2 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.280 -1.180 19452 621 1 2 . 1 1 20 20 ASP N N 20 119.100 119.100 118.875 0.225 19452 622 1 2 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.632 -0.042 19452 623 1 2 . 1 1 20 20 ASP C C 20 179.900 179.900 174.039 5.861 19452 624 1 2 . 1 1 20 20 ASP CA C 20 58.000 58.000 53.995 4.005 19452 625 1 2 . 1 1 20 20 ASP H H 20 8.090 8.090 8.570 -0.480 19452 626 1 2 . 1 1 21 21 SER N N 21 112.000 112.000 118.967 -6.967 19452 627 1 2 . 1 1 21 21 SER HA H 21 4.320 4.320 4.637 -0.317 19452 628 1 2 . 1 1 21 21 SER CA C 21 60.700 60.700 58.052 2.648 19452 629 1 2 . 1 1 21 21 SER CB C 21 62.500 62.500 64.449 -1.949 19452 630 1 2 . 1 1 21 21 SER H H 21 8.750 8.750 8.089 0.661 19452 631 1 2 . 1 1 22 22 GLU N N 22 119.000 119.000 121.307 -2.307 19452 632 1 2 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.183 0.397 19452 633 1 2 . 1 1 22 22 GLU C C 22 176.000 176.000 177.417 -1.417 19452 634 1 2 . 1 1 22 22 GLU CA C 22 56.200 56.200 57.988 -1.788 19452 635 1 2 . 1 1 22 22 GLU CB C 22 31.600 31.600 29.905 1.695 19452 636 1 2 . 1 1 22 22 GLU H H 22 7.660 7.660 8.407 -0.747 19452 637 1 2 . 1 1 23 23 PHE N N 23 120.900 120.900 121.176 -0.276 19452 638 1 2 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.536 -0.966 19452 639 1 2 . 1 1 23 23 PHE C C 23 176.500 176.500 175.540 0.960 19452 640 1 2 . 1 1 23 23 PHE CA C 23 63.100 63.100 58.270 4.830 19452 641 1 2 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.275 1.425 19452 642 1 2 . 1 1 23 23 PHE H H 23 7.490 7.490 7.505 -0.015 19452 643 1 2 . 1 1 24 24 ASP N N 24 118.500 118.500 126.719 -8.219 19452 644 1 2 . 1 1 24 24 ASP HA H 24 4.630 4.630 5.036 -0.406 19452 645 1 2 . 1 1 24 24 ASP C C 24 178.400 178.400 174.913 3.487 19452 646 1 2 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.086 4.614 19452 647 1 2 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.648 -3.448 19452 648 1 2 . 1 1 24 24 ASP H H 24 8.900 8.900 8.662 0.238 19452 649 1 2 . 1 1 25 25 ASN N N 25 117.200 117.200 118.145 -0.945 19452 650 1 2 . 1 1 25 25 ASN HA H 25 4.200 4.200 5.199 -0.999 19452 651 1 2 . 1 1 25 25 ASN C C 25 176.400 176.400 175.090 1.310 19452 652 1 2 . 1 1 25 25 ASN CA C 25 56.000 56.000 53.109 2.891 19452 653 1 2 . 1 1 25 25 ASN CB C 25 39.000 39.000 40.073 -1.073 19452 654 1 2 . 1 1 26 26 LYS N N 26 112.800 112.800 114.252 -1.452 19452 655 1 2 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.778 -0.778 19452 656 1 2 . 1 1 26 26 LYS C C 26 175.500 175.500 174.851 0.649 19452 657 1 2 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.698 1.602 19452 658 1 2 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.580 -2.580 19452 659 1 2 . 1 1 26 26 LYS H H 26 7.730 7.730 8.346 -0.616 19452 660 1 2 . 1 1 27 27 VAL N N 27 114.500 114.500 116.435 -1.935 19452 661 1 2 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.298 -0.258 19452 662 1 2 . 1 1 27 27 VAL C C 27 177.900 177.900 174.931 2.969 19452 663 1 2 . 1 1 27 27 VAL CA C 27 63.700 63.700 61.075 2.624 19452 664 1 2 . 1 1 27 27 VAL H H 27 7.680 7.680 8.117 -0.437 19452 665 1 2 . 1 1 28 28 THR N N 28 110.000 110.000 113.458 -3.458 19452 666 1 2 . 1 1 28 28 THR HA H 28 3.710 3.710 4.160 -0.450 19452 667 1 2 . 1 1 28 28 THR C C 28 175.800 175.800 176.595 -0.795 19452 668 1 2 . 1 1 28 28 THR CA C 28 65.200 65.200 65.109 0.091 19452 669 1 2 . 1 1 28 28 THR CB C 28 68.100 68.100 69.099 -0.999 19452 670 1 2 . 1 1 28 28 THR H H 28 7.010 7.010 8.529 -1.519 19452 671 1 2 . 1 1 29 29 SER N N 29 113.600 113.600 112.884 0.716 19452 672 1 2 . 1 1 29 29 SER HA H 29 4.480 4.480 4.358 0.122 19452 673 1 2 . 1 1 29 29 SER C C 29 174.200 174.200 175.302 -1.102 19452 674 1 2 . 1 1 29 29 SER CA C 29 58.500 58.500 60.541 -2.041 19452 675 1 2 . 1 1 29 29 SER CB C 29 63.300 63.300 63.432 -0.132 19452 676 1 2 . 1 1 29 29 SER H H 29 8.350 8.350 8.093 0.257 19452 677 1 2 . 1 1 30 30 CYS N N 30 120.000 120.000 118.890 1.110 19452 678 1 2 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.491 -0.371 19452 679 1 2 . 1 1 30 30 CYS C C 30 174.200 174.200 175.935 -1.735 19452 680 1 2 . 1 1 30 30 CYS CA C 30 69.700 69.700 59.300 10.400 19452 681 1 2 . 1 1 30 30 CYS CB C 30 27.800 27.800 26.798 1.002 19452 682 1 2 . 1 1 30 30 CYS H H 30 6.810 6.810 8.196 -1.386 19452 683 1 2 . 1 1 31 31 ASN N N 31 124.300 124.300 120.569 3.731 19452 684 1 2 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.208 0.902 19452 685 1 2 . 1 1 31 31 ASN C C 31 174.900 174.900 176.073 -1.173 19452 686 1 2 . 1 1 31 31 ASN CA C 31 52.400 52.400 56.905 -4.505 19452 687 1 2 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.382 0.118 19452 688 1 2 . 1 1 31 31 ASN H H 31 8.760 8.760 8.155 0.605 19452 689 1 2 . 1 1 32 32 ASP N N 32 119.000 119.000 116.685 2.315 19452 690 1 2 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.964 0.596 19452 691 1 2 . 1 1 32 32 ASP C C 32 176.600 176.600 178.856 -2.256 19452 692 1 2 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.647 -3.147 19452 693 1 2 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.653 2.347 19452 694 1 2 . 1 1 32 32 ASP H H 32 7.720 7.720 8.756 -1.036 19452 695 1 2 . 1 1 33 33 ASN N N 33 115.400 115.400 118.486 -3.086 19452 696 1 2 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.392 -0.222 19452 697 1 2 . 1 1 33 33 ASN C C 33 173.700 173.700 175.950 -2.250 19452 698 1 2 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.778 -1.478 19452 699 1 2 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.715 -0.915 19452 700 1 2 . 1 1 33 33 ASN H H 33 9.750 9.750 8.114 1.636 19452 701 1 2 . 1 1 34 34 ILE N N 34 120.700 120.700 113.807 6.893 19452 702 1 2 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.296 -0.276 19452 703 1 2 . 1 1 34 34 ILE C C 34 175.500 175.500 176.937 -1.437 19452 704 1 2 . 1 1 34 34 ILE CA C 34 59.400 59.400 61.977 -2.577 19452 705 1 2 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.236 -1.736 19452 706 1 2 . 1 1 34 34 ILE H H 34 7.850 7.850 7.611 0.239 19452 707 1 2 . 1 1 35 35 LEU N N 35 128.400 128.400 121.729 6.671 19452 708 1 2 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.118 0.552 19452 709 1 2 . 1 1 35 35 LEU C C 35 173.700 173.700 178.477 -4.777 19452 710 1 2 . 1 1 35 35 LEU CA C 35 54.900 54.900 57.819 -2.919 19452 711 1 2 . 1 1 35 35 LEU CB C 35 42.400 42.400 42.373 0.027 19452 712 1 2 . 1 1 35 35 LEU H H 35 8.100 8.100 7.936 0.164 19452 713 1 2 . 1 1 36 36 ILE N N 36 128.800 128.800 121.088 7.712 19452 714 1 2 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.865 1.185 19452 715 1 2 . 1 1 36 36 ILE C C 36 175.800 175.800 177.515 -1.715 19452 716 1 2 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.531 -4.731 19452 717 1 2 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.327 2.573 19452 718 1 2 . 1 1 36 36 ILE H H 36 9.320 9.320 7.717 1.603 19452 719 1 2 . 1 1 37 37 LEU N N 37 129.600 129.600 120.783 8.817 19452 720 1 2 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.244 1.026 19452 721 1 2 . 1 1 37 37 LEU C C 37 175.500 175.500 176.784 -1.284 19452 722 1 2 . 1 1 37 37 LEU CA C 37 54.000 54.000 56.031 -2.031 19452 723 1 2 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.372 2.428 19452 724 1 2 . 1 1 37 37 LEU H H 37 9.400 9.400 7.736 1.664 19452 725 1 2 . 1 1 38 38 VAL N N 38 120.100 120.100 123.060 -2.960 19452 726 1 2 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.936 0.654 19452 727 1 2 . 1 1 38 38 VAL C C 38 174.000 174.000 175.289 -1.289 19452 728 1 2 . 1 1 38 38 VAL CA C 38 61.100 61.100 64.053 -2.953 19452 729 1 2 . 1 1 38 38 VAL CB C 38 33.500 33.500 30.562 2.938 19452 730 1 2 . 1 1 38 38 VAL H H 38 9.440 9.440 7.542 1.898 19452 731 1 2 . 1 1 39 39 ASP N N 39 125.600 125.600 125.970 -0.370 19452 732 1 2 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.782 0.388 19452 733 1 2 . 1 1 39 39 ASP CA C 39 51.900 51.900 53.930 -2.030 19452 734 1 2 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.242 -2.442 19452 735 1 2 . 1 1 39 39 ASP H H 39 9.240 9.240 8.492 0.748 19452 736 1 2 . 1 1 40 40 PHE N N 40 119.600 119.600 118.994 0.606 19452 737 1 2 . 1 1 40 40 PHE H H 40 8.860 8.860 7.915 0.945 19452 738 1 2 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.247 0.163 19452 739 1 2 . 1 1 53 53 PRO CA C 53 65.500 65.500 64.263 1.237 19452 740 1 2 . 1 1 53 53 PRO CB C 53 30.800 30.800 31.965 -1.165 19452 741 1 2 . 1 1 54 54 GLN N N 54 115.300 115.300 118.746 -3.446 19452 742 1 2 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.177 0.023 19452 743 1 2 . 1 1 54 54 GLN C C 54 179.400 179.400 174.275 5.125 19452 744 1 2 . 1 1 54 54 GLN CA C 54 58.000 58.000 55.531 2.469 19452 745 1 2 . 1 1 54 54 GLN H H 54 7.080 7.080 7.840 -0.760 19452 746 1 2 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.421 -0.431 19452 747 1 2 . 1 1 55 55 LEU C C 55 178.700 178.700 177.258 1.442 19452 748 1 2 . 1 1 55 55 LEU CA C 55 57.300 57.300 56.429 0.871 19452 749 1 2 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.744 -1.444 19452 750 1 2 . 1 1 56 56 GLU N N 56 118.900 118.900 115.734 3.166 19452 751 1 2 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.469 -0.629 19452 752 1 2 . 1 1 56 56 GLU C C 56 179.100 179.100 174.977 4.123 19452 753 1 2 . 1 1 56 56 GLU CA C 56 59.500 59.500 56.045 3.455 19452 754 1 2 . 1 1 56 56 GLU CB C 56 29.000 29.000 31.411 -2.411 19452 755 1 2 . 1 1 56 56 GLU H H 56 8.150 8.150 7.701 0.449 19452 756 1 2 . 1 1 57 57 LYS N N 57 117.000 117.000 119.798 -2.798 19452 757 1 2 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.435 -0.365 19452 758 1 2 . 1 1 57 57 LYS C C 57 179.800 179.800 174.553 5.247 19452 759 1 2 . 1 1 57 57 LYS CA C 57 59.000 59.000 57.083 1.917 19452 760 1 2 . 1 1 57 57 LYS CB C 57 31.900 31.900 33.712 -1.812 19452 761 1 2 . 1 1 57 57 LYS H H 57 7.160 7.160 7.961 -0.801 19452 762 1 2 . 1 1 58 58 LEU N N 58 119.900 119.900 126.790 -6.890 19452 763 1 2 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.571 -0.371 19452 764 1 2 . 1 1 58 58 LEU C C 58 178.700 178.700 175.868 2.832 19452 765 1 2 . 1 1 58 58 LEU CA C 58 57.700 57.700 55.023 2.676 19452 766 1 2 . 1 1 58 58 LEU CB C 58 41.700 41.700 42.676 -0.976 19452 767 1 2 . 1 1 58 58 LEU H H 58 7.650 7.650 8.543 -0.893 19452 768 1 2 . 1 1 59 59 ALA N N 59 120.700 120.700 122.846 -2.146 19452 769 1 2 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.805 -0.945 19452 770 1 2 . 1 1 59 59 ALA C C 59 180.000 180.000 177.077 2.923 19452 771 1 2 . 1 1 59 59 ALA CA C 59 54.600 54.600 51.524 3.076 19452 772 1 2 . 1 1 59 59 ALA CB C 59 18.000 18.000 18.658 -0.658 19452 773 1 2 . 1 1 59 59 ALA H H 59 8.440 8.440 8.190 0.250 19452 774 1 2 . 1 1 60 60 GLN N N 60 113.100 113.100 117.590 -4.490 19452 775 1 2 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.091 -0.031 19452 776 1 2 . 1 1 60 60 GLN C C 60 177.800 177.800 174.876 2.924 19452 777 1 2 . 1 1 60 60 GLN CA C 60 57.500 57.500 56.229 1.271 19452 778 1 2 . 1 1 60 60 GLN CB C 60 28.800 28.800 26.820 1.980 19452 779 1 2 . 1 1 60 60 GLN H H 60 7.340 7.340 7.998 -0.658 19452 780 1 2 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.151 -0.121 19452 781 1 2 . 1 1 61 61 GLN C C 61 177.300 177.300 176.723 0.577 19452 782 1 2 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.254 0.546 19452 783 1 2 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.106 -0.106 19452 784 1 2 . 1 1 62 62 TYR N N 62 117.300 117.300 118.798 -1.498 19452 785 1 2 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.288 0.692 19452 786 1 2 . 1 1 62 62 TYR C C 62 175.800 175.800 178.345 -2.545 19452 787 1 2 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.421 -4.321 19452 788 1 2 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.742 0.158 19452 789 1 2 . 1 1 62 62 TYR H H 62 7.950 7.950 8.720 -0.770 19452 790 1 2 . 1 1 63 63 THR N N 63 111.900 111.900 112.355 -0.455 19452 791 1 2 . 1 1 63 63 THR HA H 63 4.190 4.190 4.069 0.121 19452 792 1 2 . 1 1 63 63 THR C C 63 175.700 175.700 176.998 -1.298 19452 793 1 2 . 1 1 63 63 THR CA C 63 64.600 64.600 65.561 -0.962 19452 794 1 2 . 1 1 63 63 THR CB C 63 69.200 69.200 67.893 1.307 19452 795 1 2 . 1 1 63 63 THR H H 63 7.110 7.110 7.601 -0.491 19452 796 1 2 . 1 1 64 64 GLU N N 64 117.500 117.500 118.256 -0.756 19452 797 1 2 . 1 1 64 64 GLU HA H 64 4.300 4.300 4.026 0.274 19452 798 1 2 . 1 1 64 64 GLU C C 64 177.400 177.400 179.137 -1.737 19452 799 1 2 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.215 -1.216 19452 800 1 2 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.224 0.876 19452 801 1 2 . 1 1 64 64 GLU H H 64 8.610 8.610 7.891 0.719 19452 802 1 2 . 1 1 65 65 ASN N N 65 113.300 113.300 119.360 -6.060 19452 803 1 2 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.484 0.506 19452 804 1 2 . 1 1 65 65 ASN C C 65 173.600 173.600 177.921 -4.321 19452 805 1 2 . 1 1 65 65 ASN CA C 65 54.000 54.000 55.693 -1.693 19452 806 1 2 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.188 2.912 19452 807 1 2 . 1 1 65 65 ASN H H 65 8.050 8.050 8.295 -0.245 19452 808 1 2 . 1 1 66 66 VAL N N 66 119.200 119.200 117.425 1.775 19452 809 1 2 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.992 1.548 19452 810 1 2 . 1 1 66 66 VAL C C 66 174.900 174.900 177.930 -3.030 19452 811 1 2 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.176 -4.276 19452 812 1 2 . 1 1 66 66 VAL CB C 66 35.700 35.700 31.096 4.604 19452 813 1 2 . 1 1 66 66 VAL H H 66 7.890 7.890 8.026 -0.136 19452 814 1 2 . 1 1 67 67 LYS N N 67 127.600 127.600 119.727 7.873 19452 815 1 2 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.880 0.680 19452 816 1 2 . 1 1 67 67 LYS C C 67 173.600 173.600 178.420 -4.820 19452 817 1 2 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.542 -5.442 19452 818 1 2 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.750 4.450 19452 819 1 2 . 1 1 67 67 LYS H H 67 8.700 8.700 8.297 0.403 19452 820 1 2 . 1 1 68 68 ILE N N 68 123.200 123.200 116.270 6.930 19452 821 1 2 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.880 0.700 19452 822 1 2 . 1 1 68 68 ILE C C 68 173.900 173.900 179.190 -5.290 19452 823 1 2 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.680 -3.180 19452 824 1 2 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.967 0.533 19452 825 1 2 . 1 1 68 68 ILE H H 68 8.770 8.770 7.570 1.200 19452 826 1 2 . 1 1 69 69 TYR N N 69 124.400 124.400 118.131 6.269 19452 827 1 2 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.252 1.408 19452 828 1 2 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.086 -4.486 19452 829 1 2 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.657 4.743 19452 830 1 2 . 1 1 69 69 TYR H H 69 9.060 9.060 7.476 1.584 19452 831 1 2 . 1 1 73 73 ILE C C 73 177.400 177.400 174.147 3.253 19452 832 1 2 . 1 1 73 73 ILE CA C 73 62.600 62.600 60.920 1.680 19452 833 1 2 . 1 1 74 74 GLU N N 74 121.800 121.800 120.007 1.793 19452 834 1 2 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.886 -0.606 19452 835 1 2 . 1 1 74 74 GLU C C 74 177.800 177.800 174.766 3.034 19452 836 1 2 . 1 1 74 74 GLU CA C 74 58.900 58.900 54.866 4.034 19452 837 1 2 . 1 1 74 74 GLU CB C 74 29.700 29.700 32.851 -3.151 19452 838 1 2 . 1 1 74 74 GLU H H 74 8.560 8.560 7.870 0.690 19452 839 1 2 . 1 1 75 75 ASP N N 75 114.200 114.200 124.173 -9.973 19452 840 1 2 . 1 1 75 75 ASP C C 75 175.800 175.800 174.103 1.697 19452 841 1 2 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.447 2.553 19452 842 1 2 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.376 -2.576 19452 843 1 2 . 1 1 75 75 ASP H H 75 6.840 6.840 8.949 -2.109 19452 844 1 2 . 1 1 76 76 ASN N N 76 118.400 118.400 118.161 0.239 19452 845 1 2 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.364 -0.344 19452 846 1 2 . 1 1 76 76 ASN C C 76 174.000 174.000 173.429 0.571 19452 847 1 2 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.220 1.480 19452 848 1 2 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.068 -0.468 19452 849 1 2 . 1 1 76 76 ASN H H 76 7.600 7.600 8.227 -0.627 19452 850 1 2 . 1 1 77 77 GLN N N 77 122.000 122.000 124.877 -2.877 19452 851 1 2 . 1 1 77 77 GLN HA H 77 4.740 4.740 5.014 -0.274 19452 852 1 2 . 1 1 77 77 GLN C C 77 177.800 177.800 174.165 3.635 19452 853 1 2 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.653 2.747 19452 854 1 2 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.445 -2.845 19452 855 1 2 . 1 1 77 77 GLN H H 77 9.040 9.040 8.846 0.194 19452 856 1 2 . 1 1 78 78 ASP N N 78 125.900 125.900 117.176 8.724 19452 857 1 2 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.802 -1.392 19452 858 1 2 . 1 1 78 78 ASP C C 78 178.900 178.900 174.637 4.263 19452 859 1 2 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.324 7.376 19452 860 1 2 . 1 1 78 78 ASP CB C 78 40.000 40.000 44.606 -4.606 19452 861 1 2 . 1 1 78 78 ASP H H 78 10.210 10.210 9.103 1.107 19452 862 1 2 . 1 1 79 79 VAL N N 79 123.800 123.800 116.603 7.197 19452 863 1 2 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.483 -0.993 19452 864 1 2 . 1 1 79 79 VAL C C 79 178.400 178.400 176.286 2.114 19452 865 1 2 . 1 1 79 79 VAL CA C 79 66.500 66.500 59.890 6.610 19452 866 1 2 . 1 1 79 79 VAL CB C 79 30.500 30.500 33.015 -2.515 19452 867 1 2 . 1 1 79 79 VAL H H 79 8.130 8.130 8.542 -0.412 19452 868 1 2 . 1 1 80 80 ALA N N 80 121.800 121.800 125.208 -3.408 19452 869 1 2 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.644 -1.134 19452 870 1 2 . 1 1 80 80 ALA C C 80 179.600 179.600 177.652 1.948 19452 871 1 2 . 1 1 80 80 ALA CA C 80 54.900 54.900 52.952 1.948 19452 872 1 2 . 1 1 80 80 ALA CB C 80 17.300 17.300 20.446 -3.146 19452 873 1 2 . 1 1 80 80 ALA H H 80 9.250 9.250 8.201 1.049 19452 874 1 2 . 1 1 81 81 THR N N 81 113.200 113.200 114.369 -1.169 19452 875 1 2 . 1 1 81 81 THR HA H 81 3.960 3.960 4.185 -0.225 19452 876 1 2 . 1 1 81 81 THR C C 81 177.700 177.700 174.094 3.606 19452 877 1 2 . 1 1 81 81 THR CA C 81 66.400 66.400 62.012 4.388 19452 878 1 2 . 1 1 81 81 THR CB C 81 68.500 68.500 69.578 -1.078 19452 879 1 2 . 1 1 81 81 THR H H 81 7.990 7.990 8.080 -0.090 19452 880 1 2 . 1 1 82 82 GLN N N 82 123.800 123.800 122.071 1.729 19452 881 1 2 . 1 1 82 82 GLN HA H 82 3.850 3.850 2.670 1.180 19452 882 1 2 . 1 1 82 82 GLN C C 82 177.900 177.900 175.533 2.367 19452 883 1 2 . 1 1 82 82 GLN CA C 82 58.900 58.900 57.820 1.080 19452 884 1 2 . 1 1 82 82 GLN CB C 82 28.000 28.000 28.808 -0.808 19452 885 1 2 . 1 1 82 82 GLN H H 82 8.170 8.170 8.261 -0.091 19452 886 1 2 . 1 1 83 83 TYR N N 83 112.900 112.900 114.386 -1.486 19452 887 1 2 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.398 0.032 19452 888 1 2 . 1 1 83 83 TYR C C 83 175.300 175.300 176.398 -1.098 19452 889 1 2 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.724 0.276 19452 890 1 2 . 1 1 83 83 TYR CB C 83 38.500 38.500 38.869 -0.369 19452 891 1 2 . 1 1 83 83 TYR H H 83 7.780 7.780 7.724 0.056 19452 892 1 2 . 1 1 84 84 GLY N N 84 110.200 110.200 109.531 0.669 19452 893 1 2 . 1 1 84 84 GLY C C 84 175.300 175.300 173.137 2.163 19452 894 1 2 . 1 1 84 84 GLY CA C 84 47.100 47.100 45.377 1.723 19452 895 1 2 . 1 1 84 84 GLY H H 84 7.670 7.670 8.228 -0.558 19452 896 1 2 . 1 1 85 85 VAL N N 85 121.300 121.300 119.539 1.761 19452 897 1 2 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.335 -0.465 19452 898 1 2 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.125 1.875 19452 899 1 2 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.101 -2.601 19452 900 1 2 . 1 1 85 85 VAL H H 85 8.500 8.500 7.851 0.649 19452 901 1 2 . 1 1 90 90 THR HA H 90 5.170 5.170 4.022 1.148 19452 902 1 2 . 1 1 90 90 THR C C 90 172.300 172.300 176.611 -4.311 19452 903 1 2 . 1 1 90 90 THR CA C 90 63.500 63.500 64.621 -1.121 19452 904 1 2 . 1 1 90 90 THR CB C 90 73.300 73.300 68.527 4.773 19452 905 1 2 . 1 1 91 91 ILE N N 91 126.600 126.600 116.762 9.838 19452 906 1 2 . 1 1 91 91 ILE HA H 91 5.590 5.590 3.978 1.612 19452 907 1 2 . 1 1 91 91 ILE C C 91 175.900 175.900 176.472 -0.572 19452 908 1 2 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.902 -3.502 19452 909 1 2 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.205 1.796 19452 910 1 2 . 1 1 91 91 ILE H H 91 9.340 9.340 7.671 1.669 19452 911 1 2 . 1 1 92 92 LEU N N 92 125.700 125.700 118.213 7.487 19452 912 1 2 . 1 1 92 92 LEU HA H 92 5.120 5.120 4.097 1.023 19452 913 1 2 . 1 1 92 92 LEU C C 92 176.100 176.100 176.308 -0.208 19452 914 1 2 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.601 -1.501 19452 915 1 2 . 1 1 92 92 LEU H H 92 9.120 9.120 7.527 1.593 19452 916 1 2 . 1 1 93 93 MET N N 93 117.700 117.700 118.969 -1.269 19452 917 1 2 . 1 1 93 93 MET HA H 93 5.860 5.860 4.758 1.102 19452 918 1 2 . 1 1 93 93 MET C C 93 174.400 174.400 174.624 -0.224 19452 919 1 2 . 1 1 93 93 MET CA C 93 54.400 54.400 54.874 -0.474 19452 920 1 2 . 1 1 93 93 MET CB C 93 34.100 34.100 32.446 1.654 19452 921 1 2 . 1 1 93 93 MET H H 93 8.080 8.080 8.480 -0.400 19452 922 1 2 . 1 1 94 94 PHE N N 94 123.300 123.300 125.690 -2.390 19452 923 1 2 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.679 0.891 19452 924 1 2 . 1 1 94 94 PHE C C 94 174.800 174.800 176.955 -2.155 19452 925 1 2 . 1 1 94 94 PHE CA C 94 55.900 55.900 58.763 -2.863 19452 926 1 2 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.661 5.139 19452 927 1 2 . 1 1 94 94 PHE H H 94 9.990 9.990 8.478 1.512 19452 928 1 2 . 1 1 95 95 LYS N N 95 117.100 117.100 122.340 -5.240 19452 929 1 2 . 1 1 95 95 LYS C C 95 176.500 176.500 175.353 1.147 19452 930 1 2 . 1 1 95 95 LYS CA C 95 57.500 57.500 55.938 1.562 19452 931 1 2 . 1 1 95 95 LYS CB C 95 37.200 37.200 30.820 6.380 19452 932 1 2 . 1 1 95 95 LYS H H 95 8.630 8.630 8.531 0.099 19452 933 1 2 . 1 1 96 96 ASN N N 96 130.400 130.400 118.004 12.396 19452 934 1 2 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.769 0.051 19452 935 1 2 . 1 1 96 96 ASN C C 96 175.900 175.900 172.216 3.684 19452 936 1 2 . 1 1 96 96 ASN CA C 96 54.500 54.500 50.786 3.714 19452 937 1 2 . 1 1 96 96 ASN CB C 96 36.900 36.900 41.895 -4.995 19452 938 1 2 . 1 1 96 96 ASN H H 96 10.190 10.190 7.560 2.630 19452 939 1 2 . 1 1 97 97 GLY C C 97 173.700 173.700 172.883 0.817 19452 940 1 2 . 1 1 97 97 GLY CA C 97 46.000 46.000 44.077 1.923 19452 941 1 2 . 1 1 98 98 LYS N N 98 120.300 120.300 121.830 -1.530 19452 942 1 2 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.605 0.135 19452 943 1 2 . 1 1 98 98 LYS C C 98 175.500 175.500 174.580 0.920 19452 944 1 2 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.845 -1.145 19452 945 1 2 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.506 -2.306 19452 946 1 2 . 1 1 98 98 LYS H H 98 7.840 7.840 7.766 0.074 19452 947 1 2 . 1 1 99 99 LYS N N 99 124.900 124.900 121.097 3.803 19452 948 1 2 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.246 -1.636 19452 949 1 2 . 1 1 99 99 LYS C C 99 176.300 176.300 174.791 1.509 19452 950 1 2 . 1 1 99 99 LYS CA C 99 56.600 56.600 55.001 1.599 19452 951 1 2 . 1 1 99 99 LYS CB C 99 31.500 31.500 36.355 -4.856 19452 952 1 2 . 1 1 99 99 LYS H H 99 8.880 8.880 8.844 0.036 19452 953 1 2 . 1 1 100 100 LEU N N 100 128.800 128.800 124.677 4.123 19452 954 1 2 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.759 -0.319 19452 955 1 2 . 1 1 100 100 LEU C C 100 177.400 177.400 175.774 1.626 19452 956 1 2 . 1 1 100 100 LEU CA C 100 55.300 55.300 54.041 1.258 19452 957 1 2 . 1 1 100 100 LEU CB C 100 44.100 44.100 44.983 -0.883 19452 958 1 2 . 1 1 100 100 LEU H H 100 9.320 9.320 8.712 0.608 19452 959 1 2 . 1 1 101 101 SER N N 101 109.000 109.000 117.267 -8.267 19452 960 1 2 . 1 1 101 101 SER HA H 101 4.550 4.550 5.145 -0.595 19452 961 1 2 . 1 1 101 101 SER C C 101 172.400 172.400 173.324 -0.924 19452 962 1 2 . 1 1 101 101 SER CA C 101 57.200 57.200 57.907 -0.707 19452 963 1 2 . 1 1 101 101 SER CB C 101 64.400 64.400 64.049 0.351 19452 964 1 2 . 1 1 101 101 SER H H 101 7.260 7.260 8.652 -1.392 19452 965 1 2 . 1 1 102 102 GLN N N 102 119.900 119.900 123.984 -4.084 19452 966 1 2 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.521 -0.301 19452 967 1 2 . 1 1 102 102 GLN C C 102 173.800 173.800 174.844 -1.044 19452 968 1 2 . 1 1 102 102 GLN CA C 102 54.400 54.400 54.068 0.332 19452 969 1 2 . 1 1 102 102 GLN CB C 102 31.800 31.800 32.719 -0.919 19452 970 1 2 . 1 1 102 102 GLN H H 102 8.230 8.230 9.220 -0.990 19452 971 1 2 . 1 1 103 103 VAL N N 103 123.800 123.800 122.100 1.700 19452 972 1 2 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.520 -0.190 19452 973 1 2 . 1 1 103 103 VAL C C 103 174.600 174.600 175.537 -0.937 19452 974 1 2 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.066 -0.366 19452 975 1 2 . 1 1 103 103 VAL CB C 103 34.600 34.600 35.136 -0.536 19452 976 1 2 . 1 1 103 103 VAL H H 103 9.310 9.310 9.101 0.209 19452 977 1 2 . 1 1 104 104 ILE N N 104 129.400 129.400 127.516 1.884 19452 978 1 2 . 1 1 104 104 ILE C C 104 176.400 176.400 175.814 0.586 19452 979 1 2 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.667 -1.167 19452 980 1 2 . 1 1 104 104 ILE CB C 104 38.700 38.700 37.214 1.486 19452 981 1 2 . 1 1 104 104 ILE H H 104 8.970 8.970 9.111 -0.141 19452 982 1 2 . 1 1 105 105 GLY N N 105 115.400 115.400 102.439 12.961 19452 983 1 2 . 1 1 105 105 GLY C C 105 172.700 172.700 173.712 -1.012 19452 984 1 2 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.203 -1.503 19452 985 1 2 . 1 1 105 105 GLY H H 105 8.500 8.500 8.768 -0.268 19452 986 1 2 . 1 1 106 106 ALA N N 106 120.200 120.200 120.837 -0.637 19452 987 1 2 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.615 -0.235 19452 988 1 2 . 1 1 106 106 ALA C C 106 176.300 176.300 175.859 0.441 19452 989 1 2 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.082 0.418 19452 990 1 2 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.713 -4.313 19452 991 1 2 . 1 1 106 106 ALA H H 106 8.360 8.360 7.752 0.608 19452 992 1 2 . 1 1 107 107 ASP N N 107 121.100 121.100 122.212 -1.112 19452 993 1 2 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.025 -0.255 19452 994 1 2 . 1 1 107 107 ASP C C 107 176.600 176.600 176.021 0.579 19452 995 1 2 . 1 1 107 107 ASP CA C 107 52.600 52.600 53.934 -1.334 19452 996 1 2 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.410 -0.810 19452 997 1 2 . 1 1 107 107 ASP H H 107 7.610 7.610 8.550 -0.940 19452 998 1 2 . 1 1 108 108 ILE N N 108 125.700 125.700 123.262 2.438 19452 999 1 2 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.365 -0.355 19452 1000 1 2 . 1 1 108 108 ILE C C 108 176.400 176.400 175.468 0.932 19452 1001 1 2 . 1 1 108 108 ILE CA C 108 60.700 60.700 61.154 -0.454 19452 1002 1 2 . 1 1 108 108 ILE CB C 108 38.300 38.300 39.009 -0.709 19452 1003 1 2 . 1 1 108 108 ILE H H 108 8.550 8.550 8.467 0.083 19452 1004 1 2 . 1 1 109 109 SER N N 109 117.700 117.700 110.882 6.818 19452 1005 1 2 . 1 1 109 109 SER HA H 109 4.180 4.180 4.583 -0.403 19452 1006 1 2 . 1 1 109 109 SER C C 109 177.300 177.300 171.727 5.573 19452 1007 1 2 . 1 1 109 109 SER CA C 109 61.700 61.700 57.831 3.869 19452 1008 1 2 . 1 1 109 109 SER CB C 109 62.100 62.100 65.048 -2.948 19452 1009 1 2 . 1 1 109 109 SER H H 109 8.330 8.330 7.491 0.839 19452 1010 1 2 . 1 1 110 110 LYS N N 110 123.200 123.200 120.352 2.848 19452 1011 1 2 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.890 -0.670 19452 1012 1 2 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.131 2.969 19452 1013 1 2 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.390 -2.090 19452 1014 1 2 . 1 1 110 110 LYS H H 110 7.480 7.480 8.381 -0.901 19452 1015 1 2 . 1 1 111 111 ILE N N 111 119.300 119.300 125.841 -6.541 19452 1016 1 2 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.160 -0.130 19452 1017 1 2 . 1 1 111 111 ILE C C 111 177.200 177.200 174.726 2.474 19452 1018 1 2 . 1 1 111 111 ILE CA C 111 61.100 61.100 61.530 -0.430 19452 1019 1 2 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.213 -1.413 19452 1020 1 2 . 1 1 111 111 ILE H H 111 7.640 7.640 8.094 -0.454 19452 1021 1 2 . 1 1 112 112 ILE N N 112 118.700 118.700 126.188 -7.488 19452 1022 1 2 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.353 -0.923 19452 1023 1 2 . 1 1 112 112 ILE C C 112 177.700 177.700 176.074 1.626 19452 1024 1 2 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.696 5.404 19452 1025 1 2 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.596 -0.096 19452 1026 1 2 . 1 1 112 112 ILE H H 112 8.410 8.410 8.403 0.007 19452 1027 1 2 . 1 1 113 113 SER N N 113 113.800 113.800 122.270 -8.470 19452 1028 1 2 . 1 1 113 113 SER HA H 113 4.200 4.200 4.342 -0.142 19452 1029 1 2 . 1 1 113 113 SER C C 113 177.200 177.200 172.781 4.419 19452 1030 1 2 . 1 1 113 113 SER CA C 113 62.000 62.000 57.573 4.427 19452 1031 1 2 . 1 1 113 113 SER H H 113 7.920 7.920 8.497 -0.577 19452 1032 1 2 . 1 1 114 114 GLU N N 114 119.400 119.400 121.992 -2.592 19452 1033 1 2 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.601 -0.451 19452 1034 1 2 . 1 1 114 114 GLU C C 114 179.900 179.900 174.980 4.920 19452 1035 1 2 . 1 1 114 114 GLU CA C 114 58.500 58.500 55.873 2.627 19452 1036 1 2 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.355 -3.055 19452 1037 1 2 . 1 1 114 114 GLU H H 114 8.010 8.010 8.478 -0.468 19452 1038 1 2 . 1 1 115 115 ILE N N 115 121.700 121.700 125.049 -3.349 19452 1039 1 2 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.363 -0.983 19452 1040 1 2 . 1 1 115 115 ILE C C 115 178.100 178.100 175.624 2.476 19452 1041 1 2 . 1 1 115 115 ILE CA C 115 66.000 66.000 60.928 5.072 19452 1042 1 2 . 1 1 115 115 ILE CB C 115 37.700 37.700 39.794 -2.094 19452 1043 1 2 . 1 1 115 115 ILE H H 115 8.370 8.370 8.250 0.120 19452 1044 1 2 . 1 1 116 116 ASN N N 116 116.100 116.100 123.774 -7.674 19452 1045 1 2 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.343 -0.013 19452 1046 1 2 . 1 1 116 116 ASN C C 116 177.900 177.900 176.058 1.842 19452 1047 1 2 . 1 1 116 116 ASN CA C 116 55.900 55.900 54.928 0.972 19452 1048 1 2 . 1 1 116 116 ASN CB C 116 37.600 37.600 39.062 -1.462 19452 1049 1 2 . 1 1 116 116 ASN H H 116 8.230 8.230 8.570 -0.340 19452 1050 1 2 . 1 1 117 117 ASN N N 117 115.400 115.400 116.869 -1.469 19452 1051 1 2 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.416 0.214 19452 1052 1 2 . 1 1 117 117 ASN C C 117 176.200 176.200 177.242 -1.042 19452 1053 1 2 . 1 1 117 117 ASN CA C 117 54.300 54.300 56.361 -2.061 19452 1054 1 2 . 1 1 117 117 ASN CB C 117 39.100 39.100 37.996 1.103 19452 1055 1 2 . 1 1 117 117 ASN H H 117 7.930 7.930 8.259 -0.329 19452 1056 1 2 . 1 1 118 118 ASN N N 118 115.400 115.400 121.102 -5.702 19452 1057 1 2 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.645 0.365 19452 1058 1 2 . 1 1 118 118 ASN C C 118 174.400 174.400 177.024 -2.624 19452 1059 1 2 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.075 -0.875 19452 1060 1 2 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.534 3.666 19452 1061 1 2 . 1 1 118 118 ASN H H 118 7.710 7.710 8.001 -0.291 19452 1062 1 2 . 1 1 119 119 ILE N N 119 117.300 117.300 117.703 -0.403 19452 1063 1 2 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.783 0.537 19452 1064 1 2 . 1 1 119 119 ILE C C 119 174.900 174.900 177.984 -3.084 19452 1065 1 2 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.985 -2.785 19452 1066 1 2 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.427 1.773 19452 1067 1 2 . 1 1 119 119 ILE H H 119 7.520 7.520 8.129 -0.609 19452 1068 1 2 . 1 1 120 120 ASN N N 120 124.900 124.900 114.401 10.499 19452 1069 1 2 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.570 -0.060 19452 1070 1 2 . 1 1 120 120 ASN CA C 120 55.000 55.000 55.902 -0.902 19452 1071 1 2 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.732 2.468 19452 1072 1 2 . 1 1 120 120 ASN H H 120 7.960 7.960 8.200 -0.240 19452 1073 1 3 . 1 1 2 2 GLY N N 2 109.900 109.900 109.189 0.711 19452 1074 1 3 . 1 1 2 2 GLY C C 2 174.400 174.400 173.599 0.801 19452 1075 1 3 . 1 1 2 2 GLY CA C 2 45.600 45.600 44.834 0.766 19452 1076 1 3 . 1 1 2 2 GLY H H 2 8.480 8.480 8.436 0.044 19452 1077 1 3 . 1 1 3 3 THR N N 3 113.700 113.700 115.471 -1.771 19452 1078 1 3 . 1 1 3 3 THR C C 3 174.900 174.900 173.685 1.215 19452 1079 1 3 . 1 1 3 3 THR CA C 3 62.400 62.400 61.748 0.652 19452 1080 1 3 . 1 1 3 3 THR CB C 3 70.000 70.000 68.835 1.165 19452 1081 1 3 . 1 1 3 3 THR H H 3 8.090 8.090 8.543 -0.453 19452 1082 1 3 . 1 1 4 4 LEU N N 4 124.100 124.100 124.295 -0.195 19452 1083 1 3 . 1 1 4 4 LEU C C 4 177.600 177.600 175.187 2.413 19452 1084 1 3 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.362 1.338 19452 1085 1 3 . 1 1 4 4 LEU CB C 4 42.300 42.300 44.544 -2.244 19452 1086 1 3 . 1 1 4 4 LEU H H 4 8.400 8.400 8.941 -0.541 19452 1087 1 3 . 1 1 5 5 GLU N N 5 121.600 121.600 119.179 2.421 19452 1088 1 3 . 1 1 5 5 GLU C C 5 176.500 176.500 174.868 1.632 19452 1089 1 3 . 1 1 5 5 GLU CA C 5 57.000 57.000 55.945 1.055 19452 1090 1 3 . 1 1 5 5 GLU CB C 5 29.900 29.900 31.964 -2.064 19452 1091 1 3 . 1 1 5 5 GLU H H 5 8.430 8.430 8.988 -0.558 19452 1092 1 3 . 1 1 6 6 ALA N N 6 124.500 124.500 121.539 2.961 19452 1093 1 3 . 1 1 6 6 ALA C C 6 177.900 177.900 176.212 1.688 19452 1094 1 3 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.142 1.758 19452 1095 1 3 . 1 1 6 6 ALA CB C 6 19.200 19.200 21.650 -2.450 19452 1096 1 3 . 1 1 6 6 ALA H H 6 8.330 8.330 7.958 0.372 19452 1097 1 3 . 1 1 7 7 GLN N N 7 119.200 119.200 117.476 1.724 19452 1098 1 3 . 1 1 7 7 GLN C C 7 176.400 176.400 174.366 2.034 19452 1099 1 3 . 1 1 7 7 GLN CA C 7 56.000 56.000 54.895 1.105 19452 1100 1 3 . 1 1 7 7 GLN CB C 7 29.200 29.200 30.634 -1.434 19452 1101 1 3 . 1 1 7 7 GLN H H 7 8.400 8.400 8.395 0.005 19452 1102 1 3 . 1 1 8 8 THR N N 8 115.100 115.100 110.964 4.136 19452 1103 1 3 . 1 1 8 8 THR C C 8 174.500 174.500 172.850 1.650 19452 1104 1 3 . 1 1 8 8 THR CA C 8 62.300 62.300 61.973 0.327 19452 1105 1 3 . 1 1 8 8 THR CB C 8 70.000 70.000 69.167 0.833 19452 1106 1 3 . 1 1 8 8 THR H H 8 8.210 8.210 8.221 -0.011 19452 1107 1 3 . 1 1 9 9 GLN N N 9 122.300 122.300 118.356 3.944 19452 1108 1 3 . 1 1 9 9 GLN C C 9 176.100 176.100 174.812 1.288 19452 1109 1 3 . 1 1 9 9 GLN CA C 9 55.900 55.900 55.324 0.576 19452 1110 1 3 . 1 1 9 9 GLN CB C 9 29.500 29.500 31.374 -1.874 19452 1111 1 3 . 1 1 9 9 GLN H H 9 8.470 8.470 8.352 0.118 19452 1112 1 3 . 1 1 10 10 GLY N N 10 110.300 110.300 107.664 2.636 19452 1113 1 3 . 1 1 10 10 GLY CA C 10 44.400 44.400 45.662 -1.262 19452 1114 1 3 . 1 1 10 10 GLY H H 10 8.360 8.360 8.362 -0.002 19452 1115 1 3 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.894 -0.454 19452 1116 1 3 . 1 1 11 11 PRO C C 11 177.800 177.800 176.061 1.739 19452 1117 1 3 . 1 1 11 11 PRO CA C 11 63.300 63.300 62.892 0.408 19452 1118 1 3 . 1 1 11 11 PRO CB C 11 32.000 32.000 32.859 -0.859 19452 1119 1 3 . 1 1 12 12 GLY N N 12 109.600 109.600 114.082 -4.482 19452 1120 1 3 . 1 1 12 12 GLY CA C 12 44.900 44.900 43.938 0.962 19452 1121 1 3 . 1 1 12 12 GLY H H 12 8.600 8.600 8.369 0.231 19452 1122 1 3 . 1 1 13 13 SER N N 13 114.700 114.700 115.262 -0.562 19452 1123 1 3 . 1 1 13 13 SER HA H 13 4.510 4.510 4.544 -0.034 19452 1124 1 3 . 1 1 13 13 SER C C 13 175.300 175.300 173.425 1.875 19452 1125 1 3 . 1 1 13 13 SER CA C 13 57.800 57.800 57.667 0.133 19452 1126 1 3 . 1 1 13 13 SER CB C 13 62.300 62.300 63.998 -1.698 19452 1127 1 3 . 1 1 13 13 SER H H 13 8.130 8.130 8.066 0.064 19452 1128 1 3 . 1 1 14 14 MET N N 14 124.300 124.300 119.432 4.868 19452 1129 1 3 . 1 1 14 14 MET HA H 14 4.470 4.470 4.388 0.082 19452 1130 1 3 . 1 1 14 14 MET CA C 14 55.700 55.700 56.151 -0.451 19452 1131 1 3 . 1 1 14 14 MET CB C 14 32.700 32.700 32.930 -0.230 19452 1132 1 3 . 1 1 14 14 MET H H 14 9.430 9.430 8.330 1.100 19452 1133 1 3 . 1 1 15 15 ILE N N 15 122.600 122.600 119.104 3.496 19452 1134 1 3 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.182 -0.172 19452 1135 1 3 . 1 1 15 15 ILE C C 15 175.300 175.300 174.259 1.041 19452 1136 1 3 . 1 1 15 15 ILE CA C 15 60.700 60.700 60.847 -0.147 19452 1137 1 3 . 1 1 15 15 ILE CB C 15 37.500 37.500 40.564 -3.064 19452 1138 1 3 . 1 1 15 15 ILE H H 15 8.520 8.520 8.356 0.164 19452 1139 1 3 . 1 1 16 16 GLU N N 16 129.300 129.300 123.326 5.974 19452 1140 1 3 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.213 0.157 19452 1141 1 3 . 1 1 16 16 GLU C C 16 175.500 175.500 175.889 -0.389 19452 1142 1 3 . 1 1 16 16 GLU CA C 16 56.100 56.100 58.202 -2.102 19452 1143 1 3 . 1 1 16 16 GLU CB C 16 31.400 31.400 29.407 1.993 19452 1144 1 3 . 1 1 16 16 GLU H H 16 8.220 8.220 8.384 -0.164 19452 1145 1 3 . 1 1 17 17 GLN N N 17 124.500 124.500 123.973 0.527 19452 1146 1 3 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.670 0.450 19452 1147 1 3 . 1 1 17 17 GLN C C 17 176.000 176.000 174.012 1.988 19452 1148 1 3 . 1 1 17 17 GLN CA C 17 55.200 55.200 54.855 0.345 19452 1149 1 3 . 1 1 17 17 GLN CB C 17 30.400 30.400 30.577 -0.177 19452 1150 1 3 . 1 1 17 17 GLN H H 17 8.810 8.810 8.390 0.420 19452 1151 1 3 . 1 1 18 18 ILE N N 18 118.700 118.700 120.511 -1.811 19452 1152 1 3 . 1 1 18 18 ILE C C 18 174.400 174.400 173.692 0.708 19452 1153 1 3 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.222 -1.622 19452 1154 1 3 . 1 1 18 18 ILE H H 18 8.840 8.840 8.332 0.508 19452 1155 1 3 . 1 1 19 19 GLY C C 19 174.800 174.800 174.836 -0.036 19452 1156 1 3 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.282 -1.182 19452 1157 1 3 . 1 1 20 20 ASP N N 20 119.100 119.100 119.217 -0.117 19452 1158 1 3 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.727 -0.137 19452 1159 1 3 . 1 1 20 20 ASP C C 20 179.900 179.900 175.330 4.570 19452 1160 1 3 . 1 1 20 20 ASP CA C 20 58.000 58.000 53.917 4.083 19452 1161 1 3 . 1 1 20 20 ASP H H 20 8.090 8.090 8.319 -0.229 19452 1162 1 3 . 1 1 21 21 SER N N 21 112.000 112.000 117.430 -5.430 19452 1163 1 3 . 1 1 21 21 SER HA H 21 4.320 4.320 4.697 -0.377 19452 1164 1 3 . 1 1 21 21 SER CA C 21 60.700 60.700 58.427 2.273 19452 1165 1 3 . 1 1 21 21 SER CB C 21 62.500 62.500 64.891 -2.391 19452 1166 1 3 . 1 1 21 21 SER H H 21 8.750 8.750 8.117 0.633 19452 1167 1 3 . 1 1 22 22 GLU N N 22 119.000 119.000 123.418 -4.418 19452 1168 1 3 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.431 0.149 19452 1169 1 3 . 1 1 22 22 GLU C C 22 176.000 176.000 174.845 1.155 19452 1170 1 3 . 1 1 22 22 GLU CA C 22 56.200 56.200 57.116 -0.916 19452 1171 1 3 . 1 1 22 22 GLU CB C 22 31.600 31.600 30.795 0.805 19452 1172 1 3 . 1 1 22 22 GLU H H 22 7.660 7.660 8.264 -0.604 19452 1173 1 3 . 1 1 23 23 PHE N N 23 120.900 120.900 127.387 -6.487 19452 1174 1 3 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.391 -0.821 19452 1175 1 3 . 1 1 23 23 PHE C C 23 176.500 176.500 174.658 1.842 19452 1176 1 3 . 1 1 23 23 PHE CA C 23 63.100 63.100 59.216 3.884 19452 1177 1 3 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.070 1.630 19452 1178 1 3 . 1 1 23 23 PHE H H 23 7.490 7.490 8.955 -1.465 19452 1179 1 3 . 1 1 24 24 ASP N N 24 118.500 118.500 127.434 -8.934 19452 1180 1 3 . 1 1 24 24 ASP HA H 24 4.630 4.630 4.954 -0.324 19452 1181 1 3 . 1 1 24 24 ASP C C 24 178.400 178.400 175.080 3.320 19452 1182 1 3 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.500 4.200 19452 1183 1 3 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.681 -3.481 19452 1184 1 3 . 1 1 24 24 ASP H H 24 8.900 8.900 8.865 0.035 19452 1185 1 3 . 1 1 25 25 ASN N N 25 117.200 117.200 120.311 -3.111 19452 1186 1 3 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.962 -0.762 19452 1187 1 3 . 1 1 25 25 ASN C C 25 176.400 176.400 175.175 1.225 19452 1188 1 3 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.939 3.061 19452 1189 1 3 . 1 1 25 25 ASN CB C 25 39.000 39.000 38.971 0.029 19452 1190 1 3 . 1 1 26 26 LYS N N 26 112.800 112.800 117.840 -5.040 19452 1191 1 3 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.804 -0.804 19452 1192 1 3 . 1 1 26 26 LYS C C 26 175.500 175.500 175.212 0.288 19452 1193 1 3 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.355 1.944 19452 1194 1 3 . 1 1 26 26 LYS CB C 26 33.000 33.000 34.912 -1.912 19452 1195 1 3 . 1 1 26 26 LYS H H 26 7.730 7.730 8.939 -1.209 19452 1196 1 3 . 1 1 27 27 VAL N N 27 114.500 114.500 116.540 -2.040 19452 1197 1 3 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.332 -0.292 19452 1198 1 3 . 1 1 27 27 VAL C C 27 177.900 177.900 175.508 2.392 19452 1199 1 3 . 1 1 27 27 VAL CA C 27 63.700 63.700 61.196 2.504 19452 1200 1 3 . 1 1 27 27 VAL H H 27 7.680 7.680 8.123 -0.443 19452 1201 1 3 . 1 1 28 28 THR N N 28 110.000 110.000 114.995 -4.995 19452 1202 1 3 . 1 1 28 28 THR HA H 28 3.710 3.710 3.917 -0.207 19452 1203 1 3 . 1 1 28 28 THR C C 28 175.800 175.800 175.697 0.103 19452 1204 1 3 . 1 1 28 28 THR CA C 28 65.200 65.200 64.388 0.812 19452 1205 1 3 . 1 1 28 28 THR CB C 28 68.100 68.100 68.545 -0.445 19452 1206 1 3 . 1 1 28 28 THR H H 28 7.010 7.010 8.579 -1.569 19452 1207 1 3 . 1 1 29 29 SER N N 29 113.600 113.600 112.177 1.423 19452 1208 1 3 . 1 1 29 29 SER HA H 29 4.480 4.480 4.341 0.139 19452 1209 1 3 . 1 1 29 29 SER C C 29 174.200 174.200 175.161 -0.961 19452 1210 1 3 . 1 1 29 29 SER CA C 29 58.500 58.500 60.039 -1.540 19452 1211 1 3 . 1 1 29 29 SER CB C 29 63.300 63.300 63.266 0.034 19452 1212 1 3 . 1 1 29 29 SER H H 29 8.350 8.350 8.059 0.291 19452 1213 1 3 . 1 1 30 30 CYS N N 30 120.000 120.000 118.348 1.652 19452 1214 1 3 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.623 -0.503 19452 1215 1 3 . 1 1 30 30 CYS C C 30 174.200 174.200 175.412 -1.212 19452 1216 1 3 . 1 1 30 30 CYS CA C 30 69.700 69.700 57.732 11.968 19452 1217 1 3 . 1 1 30 30 CYS CB C 30 27.800 27.800 27.211 0.589 19452 1218 1 3 . 1 1 30 30 CYS H H 30 6.810 6.810 7.735 -0.925 19452 1219 1 3 . 1 1 31 31 ASN N N 31 124.300 124.300 121.336 2.964 19452 1220 1 3 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.203 0.907 19452 1221 1 3 . 1 1 31 31 ASN C C 31 174.900 174.900 175.983 -1.083 19452 1222 1 3 . 1 1 31 31 ASN CA C 31 52.400 52.400 57.068 -4.668 19452 1223 1 3 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.401 0.099 19452 1224 1 3 . 1 1 31 31 ASN H H 31 8.760 8.760 7.878 0.882 19452 1225 1 3 . 1 1 32 32 ASP N N 32 119.000 119.000 116.771 2.229 19452 1226 1 3 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.828 0.732 19452 1227 1 3 . 1 1 32 32 ASP C C 32 176.600 176.600 178.795 -2.195 19452 1228 1 3 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.690 -3.190 19452 1229 1 3 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.423 2.577 19452 1230 1 3 . 1 1 32 32 ASP H H 32 7.720 7.720 8.777 -1.057 19452 1231 1 3 . 1 1 33 33 ASN N N 33 115.400 115.400 118.754 -3.354 19452 1232 1 3 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.339 -0.169 19452 1233 1 3 . 1 1 33 33 ASN C C 33 173.700 173.700 176.025 -2.325 19452 1234 1 3 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.998 -1.698 19452 1235 1 3 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.569 -0.770 19452 1236 1 3 . 1 1 33 33 ASN H H 33 9.750 9.750 8.286 1.464 19452 1237 1 3 . 1 1 34 34 ILE N N 34 120.700 120.700 115.425 5.275 19452 1238 1 3 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.244 -0.224 19452 1239 1 3 . 1 1 34 34 ILE C C 34 175.500 175.500 178.352 -2.852 19452 1240 1 3 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.747 -3.347 19452 1241 1 3 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.107 -1.607 19452 1242 1 3 . 1 1 34 34 ILE H H 34 7.850 7.850 7.389 0.461 19452 1243 1 3 . 1 1 35 35 LEU N N 35 128.400 128.400 122.148 6.252 19452 1244 1 3 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.046 0.624 19452 1245 1 3 . 1 1 35 35 LEU C C 35 173.700 173.700 178.871 -5.171 19452 1246 1 3 . 1 1 35 35 LEU CA C 35 54.900 54.900 58.930 -4.030 19452 1247 1 3 . 1 1 35 35 LEU CB C 35 42.400 42.400 41.062 1.338 19452 1248 1 3 . 1 1 35 35 LEU H H 35 8.100 8.100 8.341 -0.241 19452 1249 1 3 . 1 1 36 36 ILE N N 36 128.800 128.800 121.023 7.777 19452 1250 1 3 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.844 1.206 19452 1251 1 3 . 1 1 36 36 ILE C C 36 175.800 175.800 177.487 -1.687 19452 1252 1 3 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.577 -4.777 19452 1253 1 3 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.593 2.307 19452 1254 1 3 . 1 1 36 36 ILE H H 36 9.320 9.320 7.594 1.726 19452 1255 1 3 . 1 1 37 37 LEU N N 37 129.600 129.600 120.918 8.682 19452 1256 1 3 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.233 1.037 19452 1257 1 3 . 1 1 37 37 LEU C C 37 175.500 175.500 176.574 -1.074 19452 1258 1 3 . 1 1 37 37 LEU CA C 37 54.000 54.000 55.806 -1.806 19452 1259 1 3 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.283 2.517 19452 1260 1 3 . 1 1 37 37 LEU H H 37 9.400 9.400 7.615 1.785 19452 1261 1 3 . 1 1 38 38 VAL N N 38 120.100 120.100 123.074 -2.974 19452 1262 1 3 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.852 0.738 19452 1263 1 3 . 1 1 38 38 VAL C C 38 174.000 174.000 175.171 -1.171 19452 1264 1 3 . 1 1 38 38 VAL CA C 38 61.100 61.100 64.073 -2.973 19452 1265 1 3 . 1 1 38 38 VAL CB C 38 33.500 33.500 31.470 2.030 19452 1266 1 3 . 1 1 38 38 VAL H H 38 9.440 9.440 7.362 2.078 19452 1267 1 3 . 1 1 39 39 ASP N N 39 125.600 125.600 126.621 -1.021 19452 1268 1 3 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.766 0.404 19452 1269 1 3 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.533 -2.633 19452 1270 1 3 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.378 -2.578 19452 1271 1 3 . 1 1 39 39 ASP H H 39 9.240 9.240 8.436 0.804 19452 1272 1 3 . 1 1 40 40 PHE N N 40 119.600 119.600 119.270 0.330 19452 1273 1 3 . 1 1 40 40 PHE H H 40 8.860 8.860 7.951 0.909 19452 1274 1 3 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.812 -0.402 19452 1275 1 3 . 1 1 53 53 PRO CA C 53 65.500 65.500 61.975 3.525 19452 1276 1 3 . 1 1 53 53 PRO CB C 53 30.800 30.800 34.247 -3.447 19452 1277 1 3 . 1 1 54 54 GLN N N 54 115.300 115.300 117.840 -2.540 19452 1278 1 3 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.516 -0.316 19452 1279 1 3 . 1 1 54 54 GLN C C 54 179.400 179.400 174.480 4.920 19452 1280 1 3 . 1 1 54 54 GLN CA C 54 58.000 58.000 54.448 3.552 19452 1281 1 3 . 1 1 54 54 GLN H H 54 7.080 7.080 8.297 -1.217 19452 1282 1 3 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.147 -0.157 19452 1283 1 3 . 1 1 55 55 LEU C C 55 178.700 178.700 177.295 1.405 19452 1284 1 3 . 1 1 55 55 LEU CA C 55 57.300 57.300 55.583 1.717 19452 1285 1 3 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.643 -1.343 19452 1286 1 3 . 1 1 56 56 GLU N N 56 118.900 118.900 119.277 -0.377 19452 1287 1 3 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.233 -0.393 19452 1288 1 3 . 1 1 56 56 GLU C C 56 179.100 179.100 176.270 2.830 19452 1289 1 3 . 1 1 56 56 GLU CA C 56 59.500 59.500 56.740 2.760 19452 1290 1 3 . 1 1 56 56 GLU CB C 56 29.000 29.000 27.968 1.032 19452 1291 1 3 . 1 1 56 56 GLU H H 56 8.150 8.150 8.400 -0.250 19452 1292 1 3 . 1 1 57 57 LYS N N 57 117.000 117.000 121.547 -4.547 19452 1293 1 3 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.444 -0.374 19452 1294 1 3 . 1 1 57 57 LYS C C 57 179.800 179.800 176.880 2.920 19452 1295 1 3 . 1 1 57 57 LYS CA C 57 59.000 59.000 56.772 2.228 19452 1296 1 3 . 1 1 57 57 LYS CB C 57 31.900 31.900 34.545 -2.645 19452 1297 1 3 . 1 1 57 57 LYS H H 57 7.160 7.160 8.326 -1.166 19452 1298 1 3 . 1 1 58 58 LEU N N 58 119.900 119.900 122.745 -2.845 19452 1299 1 3 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.478 -0.278 19452 1300 1 3 . 1 1 58 58 LEU C C 58 178.700 178.700 177.075 1.625 19452 1301 1 3 . 1 1 58 58 LEU CA C 58 57.700 57.700 55.510 2.190 19452 1302 1 3 . 1 1 58 58 LEU CB C 58 41.700 41.700 40.962 0.738 19452 1303 1 3 . 1 1 58 58 LEU H H 58 7.650 7.650 7.959 -0.309 19452 1304 1 3 . 1 1 59 59 ALA N N 59 120.700 120.700 126.263 -5.563 19452 1305 1 3 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.604 -0.744 19452 1306 1 3 . 1 1 59 59 ALA C C 59 180.000 180.000 176.735 3.265 19452 1307 1 3 . 1 1 59 59 ALA CA C 59 54.600 54.600 52.005 2.595 19452 1308 1 3 . 1 1 59 59 ALA CB C 59 18.000 18.000 18.825 -0.825 19452 1309 1 3 . 1 1 59 59 ALA H H 59 8.440 8.440 8.155 0.285 19452 1310 1 3 . 1 1 60 60 GLN N N 60 113.100 113.100 118.666 -5.566 19452 1311 1 3 . 1 1 60 60 GLN HA H 60 4.060 4.060 5.036 -0.976 19452 1312 1 3 . 1 1 60 60 GLN C C 60 177.800 177.800 174.624 3.176 19452 1313 1 3 . 1 1 60 60 GLN CA C 60 57.500 57.500 52.750 4.750 19452 1314 1 3 . 1 1 60 60 GLN CB C 60 28.800 28.800 29.577 -0.777 19452 1315 1 3 . 1 1 60 60 GLN H H 60 7.340 7.340 7.839 -0.499 19452 1316 1 3 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.337 -0.307 19452 1317 1 3 . 1 1 61 61 GLN C C 61 177.300 177.300 176.418 0.882 19452 1318 1 3 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.003 0.797 19452 1319 1 3 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.210 -0.211 19452 1320 1 3 . 1 1 62 62 TYR N N 62 117.300 117.300 118.902 -1.602 19452 1321 1 3 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.300 0.680 19452 1322 1 3 . 1 1 62 62 TYR C C 62 175.800 175.800 178.139 -2.339 19452 1323 1 3 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.746 -4.646 19452 1324 1 3 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.330 0.570 19452 1325 1 3 . 1 1 62 62 TYR H H 62 7.950 7.950 8.843 -0.893 19452 1326 1 3 . 1 1 63 63 THR N N 63 111.900 111.900 110.265 1.635 19452 1327 1 3 . 1 1 63 63 THR HA H 63 4.190 4.190 4.090 0.100 19452 1328 1 3 . 1 1 63 63 THR C C 63 175.700 175.700 176.675 -0.975 19452 1329 1 3 . 1 1 63 63 THR CA C 63 64.600 64.600 65.467 -0.867 19452 1330 1 3 . 1 1 63 63 THR CB C 63 69.200 69.200 67.895 1.305 19452 1331 1 3 . 1 1 63 63 THR H H 63 7.110 7.110 7.579 -0.469 19452 1332 1 3 . 1 1 64 64 GLU N N 64 117.500 117.500 120.025 -2.525 19452 1333 1 3 . 1 1 64 64 GLU HA H 64 4.300 4.300 4.012 0.288 19452 1334 1 3 . 1 1 64 64 GLU C C 64 177.400 177.400 178.763 -1.363 19452 1335 1 3 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.282 -1.282 19452 1336 1 3 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.199 0.901 19452 1337 1 3 . 1 1 64 64 GLU H H 64 8.610 8.610 7.789 0.821 19452 1338 1 3 . 1 1 65 65 ASN N N 65 113.300 113.300 118.614 -5.314 19452 1339 1 3 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.446 0.544 19452 1340 1 3 . 1 1 65 65 ASN C C 65 173.600 173.600 178.269 -4.669 19452 1341 1 3 . 1 1 65 65 ASN CA C 65 54.000 54.000 55.958 -1.958 19452 1342 1 3 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.463 2.637 19452 1343 1 3 . 1 1 65 65 ASN H H 65 8.050 8.050 7.922 0.128 19452 1344 1 3 . 1 1 66 66 VAL N N 66 119.200 119.200 117.426 1.774 19452 1345 1 3 . 1 1 66 66 VAL HA H 66 5.540 5.540 4.001 1.539 19452 1346 1 3 . 1 1 66 66 VAL C C 66 174.900 174.900 177.963 -3.063 19452 1347 1 3 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.324 -4.424 19452 1348 1 3 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.712 4.988 19452 1349 1 3 . 1 1 66 66 VAL H H 66 7.890 7.890 8.105 -0.215 19452 1350 1 3 . 1 1 67 67 LYS N N 67 127.600 127.600 120.527 7.073 19452 1351 1 3 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.835 0.725 19452 1352 1 3 . 1 1 67 67 LYS C C 67 173.600 173.600 178.401 -4.801 19452 1353 1 3 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.500 -5.400 19452 1354 1 3 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.854 4.346 19452 1355 1 3 . 1 1 67 67 LYS H H 67 8.700 8.700 8.196 0.504 19452 1356 1 3 . 1 1 68 68 ILE N N 68 123.200 123.200 116.030 7.170 19452 1357 1 3 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.869 0.711 19452 1358 1 3 . 1 1 68 68 ILE C C 68 173.900 173.900 179.440 -5.540 19452 1359 1 3 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.553 -3.053 19452 1360 1 3 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.881 0.619 19452 1361 1 3 . 1 1 68 68 ILE H H 68 8.770 8.770 7.732 1.038 19452 1362 1 3 . 1 1 69 69 TYR N N 69 124.400 124.400 119.951 4.449 19452 1363 1 3 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.166 1.494 19452 1364 1 3 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.748 -5.148 19452 1365 1 3 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.894 4.506 19452 1366 1 3 . 1 1 69 69 TYR H H 69 9.060 9.060 7.581 1.479 19452 1367 1 3 . 1 1 73 73 ILE C C 73 177.400 177.400 173.715 3.685 19452 1368 1 3 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.069 1.532 19452 1369 1 3 . 1 1 74 74 GLU N N 74 121.800 121.800 119.338 2.462 19452 1370 1 3 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.972 -0.692 19452 1371 1 3 . 1 1 74 74 GLU C C 74 177.800 177.800 174.935 2.865 19452 1372 1 3 . 1 1 74 74 GLU CA C 74 58.900 58.900 54.536 4.364 19452 1373 1 3 . 1 1 74 74 GLU CB C 74 29.700 29.700 33.338 -3.638 19452 1374 1 3 . 1 1 74 74 GLU H H 74 8.560 8.560 7.841 0.719 19452 1375 1 3 . 1 1 75 75 ASP N N 75 114.200 114.200 123.556 -9.356 19452 1376 1 3 . 1 1 75 75 ASP C C 75 175.800 175.800 174.083 1.717 19452 1377 1 3 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.670 2.330 19452 1378 1 3 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.447 -2.647 19452 1379 1 3 . 1 1 75 75 ASP H H 75 6.840 6.840 9.016 -2.176 19452 1380 1 3 . 1 1 76 76 ASN N N 76 118.400 118.400 117.327 1.073 19452 1381 1 3 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.289 -0.269 19452 1382 1 3 . 1 1 76 76 ASN C C 76 174.000 174.000 173.144 0.856 19452 1383 1 3 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.153 1.547 19452 1384 1 3 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.489 -0.889 19452 1385 1 3 . 1 1 76 76 ASN H H 76 7.600 7.600 8.363 -0.763 19452 1386 1 3 . 1 1 77 77 GLN N N 77 122.000 122.000 122.952 -0.952 19452 1387 1 3 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.943 -0.203 19452 1388 1 3 . 1 1 77 77 GLN C C 77 177.800 177.800 174.240 3.560 19452 1389 1 3 . 1 1 77 77 GLN CA C 77 56.400 56.400 54.057 2.342 19452 1390 1 3 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.405 -2.805 19452 1391 1 3 . 1 1 77 77 GLN H H 77 9.040 9.040 8.761 0.279 19452 1392 1 3 . 1 1 78 78 ASP N N 78 125.900 125.900 119.005 6.895 19452 1393 1 3 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.300 -0.890 19452 1394 1 3 . 1 1 78 78 ASP C C 78 178.900 178.900 174.020 4.880 19452 1395 1 3 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.167 7.532 19452 1396 1 3 . 1 1 78 78 ASP CB C 78 40.000 40.000 44.278 -4.278 19452 1397 1 3 . 1 1 78 78 ASP H H 78 10.210 10.210 8.566 1.644 19452 1398 1 3 . 1 1 79 79 VAL N N 79 123.800 123.800 118.523 5.277 19452 1399 1 3 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.414 -0.924 19452 1400 1 3 . 1 1 79 79 VAL C C 79 178.400 178.400 175.933 2.467 19452 1401 1 3 . 1 1 79 79 VAL CA C 79 66.500 66.500 59.920 6.580 19452 1402 1 3 . 1 1 79 79 VAL CB C 79 30.500 30.500 34.270 -3.769 19452 1403 1 3 . 1 1 79 79 VAL H H 79 8.130 8.130 8.333 -0.203 19452 1404 1 3 . 1 1 80 80 ALA N N 80 121.800 121.800 129.897 -8.097 19452 1405 1 3 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.142 -0.632 19452 1406 1 3 . 1 1 80 80 ALA C C 80 179.600 179.600 178.212 1.388 19452 1407 1 3 . 1 1 80 80 ALA CA C 80 54.900 54.900 54.546 0.354 19452 1408 1 3 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.718 -2.418 19452 1409 1 3 . 1 1 80 80 ALA H H 80 9.250 9.250 8.262 0.988 19452 1410 1 3 . 1 1 81 81 THR N N 81 113.200 113.200 115.356 -2.156 19452 1411 1 3 . 1 1 81 81 THR HA H 81 3.960 3.960 4.388 -0.428 19452 1412 1 3 . 1 1 81 81 THR C C 81 177.700 177.700 174.488 3.212 19452 1413 1 3 . 1 1 81 81 THR CA C 81 66.400 66.400 62.072 4.328 19452 1414 1 3 . 1 1 81 81 THR CB C 81 68.500 68.500 69.321 -0.821 19452 1415 1 3 . 1 1 81 81 THR H H 81 7.990 7.990 8.400 -0.410 19452 1416 1 3 . 1 1 82 82 GLN N N 82 123.800 123.800 123.673 0.127 19452 1417 1 3 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.480 -0.630 19452 1418 1 3 . 1 1 82 82 GLN C C 82 177.900 177.900 176.317 1.583 19452 1419 1 3 . 1 1 82 82 GLN CA C 82 58.900 58.900 58.175 0.725 19452 1420 1 3 . 1 1 82 82 GLN CB C 82 28.000 28.000 29.318 -1.318 19452 1421 1 3 . 1 1 82 82 GLN H H 82 8.170 8.170 8.710 -0.540 19452 1422 1 3 . 1 1 83 83 TYR N N 83 112.900 112.900 116.717 -3.817 19452 1423 1 3 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.421 0.009 19452 1424 1 3 . 1 1 83 83 TYR C C 83 175.300 175.300 176.143 -0.843 19452 1425 1 3 . 1 1 83 83 TYR CA C 83 59.000 59.000 59.556 -0.556 19452 1426 1 3 . 1 1 83 83 TYR CB C 83 38.500 38.500 38.352 0.148 19452 1427 1 3 . 1 1 83 83 TYR H H 83 7.780 7.780 8.420 -0.640 19452 1428 1 3 . 1 1 84 84 GLY N N 84 110.200 110.200 107.516 2.684 19452 1429 1 3 . 1 1 84 84 GLY C C 84 175.300 175.300 172.956 2.344 19452 1430 1 3 . 1 1 84 84 GLY CA C 84 47.100 47.100 44.380 2.720 19452 1431 1 3 . 1 1 84 84 GLY H H 84 7.670 7.670 7.983 -0.313 19452 1432 1 3 . 1 1 85 85 VAL N N 85 121.300 121.300 121.559 -0.259 19452 1433 1 3 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.371 -0.501 19452 1434 1 3 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.918 1.082 19452 1435 1 3 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.587 -3.087 19452 1436 1 3 . 1 1 85 85 VAL H H 85 8.500 8.500 8.212 0.288 19452 1437 1 3 . 1 1 90 90 THR HA H 90 5.170 5.170 3.910 1.260 19452 1438 1 3 . 1 1 90 90 THR C C 90 172.300 172.300 176.377 -4.077 19452 1439 1 3 . 1 1 90 90 THR CA C 90 63.500 63.500 64.590 -1.090 19452 1440 1 3 . 1 1 90 90 THR CB C 90 73.300 73.300 68.387 4.913 19452 1441 1 3 . 1 1 91 91 ILE N N 91 126.600 126.600 116.942 9.658 19452 1442 1 3 . 1 1 91 91 ILE HA H 91 5.590 5.590 3.935 1.655 19452 1443 1 3 . 1 1 91 91 ILE C C 91 175.900 175.900 176.671 -0.771 19452 1444 1 3 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.561 -3.161 19452 1445 1 3 . 1 1 91 91 ILE CB C 91 40.000 40.000 37.904 2.096 19452 1446 1 3 . 1 1 91 91 ILE H H 91 9.340 9.340 7.471 1.869 19452 1447 1 3 . 1 1 92 92 LEU N N 92 125.700 125.700 118.626 7.074 19452 1448 1 3 . 1 1 92 92 LEU HA H 92 5.120 5.120 3.925 1.195 19452 1449 1 3 . 1 1 92 92 LEU C C 92 176.100 176.100 175.878 0.222 19452 1450 1 3 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.691 -1.591 19452 1451 1 3 . 1 1 92 92 LEU H H 92 9.120 9.120 7.468 1.652 19452 1452 1 3 . 1 1 93 93 MET N N 93 117.700 117.700 119.761 -2.061 19452 1453 1 3 . 1 1 93 93 MET HA H 93 5.860 5.860 4.736 1.124 19452 1454 1 3 . 1 1 93 93 MET C C 93 174.400 174.400 175.829 -1.429 19452 1455 1 3 . 1 1 93 93 MET CA C 93 54.400 54.400 53.641 0.759 19452 1456 1 3 . 1 1 93 93 MET CB C 93 34.100 34.100 34.229 -0.129 19452 1457 1 3 . 1 1 93 93 MET H H 93 8.080 8.080 7.995 0.085 19452 1458 1 3 . 1 1 94 94 PHE N N 94 123.300 123.300 125.210 -1.910 19452 1459 1 3 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.316 1.254 19452 1460 1 3 . 1 1 94 94 PHE C C 94 174.800 174.800 176.089 -1.289 19452 1461 1 3 . 1 1 94 94 PHE CA C 94 55.900 55.900 58.186 -2.286 19452 1462 1 3 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.684 5.116 19452 1463 1 3 . 1 1 94 94 PHE H H 94 9.990 9.990 8.559 1.431 19452 1464 1 3 . 1 1 95 95 LYS N N 95 117.100 117.100 121.936 -4.836 19452 1465 1 3 . 1 1 95 95 LYS C C 95 176.500 176.500 175.847 0.653 19452 1466 1 3 . 1 1 95 95 LYS CA C 95 57.500 57.500 56.702 0.798 19452 1467 1 3 . 1 1 95 95 LYS CB C 95 37.200 37.200 30.733 6.467 19452 1468 1 3 . 1 1 95 95 LYS H H 95 8.630 8.630 8.546 0.084 19452 1469 1 3 . 1 1 96 96 ASN N N 96 130.400 130.400 115.758 14.642 19452 1470 1 3 . 1 1 96 96 ASN HA H 96 4.820 4.820 5.249 -0.429 19452 1471 1 3 . 1 1 96 96 ASN C C 96 175.900 175.900 172.836 3.064 19452 1472 1 3 . 1 1 96 96 ASN CA C 96 54.500 54.500 49.433 5.067 19452 1473 1 3 . 1 1 96 96 ASN CB C 96 36.900 36.900 41.063 -4.163 19452 1474 1 3 . 1 1 96 96 ASN H H 96 10.190 10.190 8.180 2.010 19452 1475 1 3 . 1 1 97 97 GLY C C 97 173.700 173.700 173.507 0.193 19452 1476 1 3 . 1 1 97 97 GLY CA C 97 46.000 46.000 44.697 1.303 19452 1477 1 3 . 1 1 98 98 LYS N N 98 120.300 120.300 123.766 -3.466 19452 1478 1 3 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.462 0.278 19452 1479 1 3 . 1 1 98 98 LYS C C 98 175.500 175.500 174.888 0.612 19452 1480 1 3 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.378 -0.678 19452 1481 1 3 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.192 -1.992 19452 1482 1 3 . 1 1 98 98 LYS H H 98 7.840 7.840 7.402 0.438 19452 1483 1 3 . 1 1 99 99 LYS N N 99 124.900 124.900 124.371 0.529 19452 1484 1 3 . 1 1 99 99 LYS HA H 99 3.610 3.610 4.873 -1.263 19452 1485 1 3 . 1 1 99 99 LYS C C 99 176.300 176.300 174.807 1.493 19452 1486 1 3 . 1 1 99 99 LYS CA C 99 56.600 56.600 54.567 2.033 19452 1487 1 3 . 1 1 99 99 LYS CB C 99 31.500 31.500 35.084 -3.584 19452 1488 1 3 . 1 1 99 99 LYS H H 99 8.880 8.880 8.807 0.073 19452 1489 1 3 . 1 1 100 100 LEU N N 100 128.800 128.800 125.372 3.428 19452 1490 1 3 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.629 -0.189 19452 1491 1 3 . 1 1 100 100 LEU C C 100 177.400 177.400 175.161 2.239 19452 1492 1 3 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.272 2.028 19452 1493 1 3 . 1 1 100 100 LEU CB C 100 44.100 44.100 46.145 -2.045 19452 1494 1 3 . 1 1 100 100 LEU H H 100 9.320 9.320 8.597 0.723 19452 1495 1 3 . 1 1 101 101 SER N N 101 109.000 109.000 116.849 -7.849 19452 1496 1 3 . 1 1 101 101 SER HA H 101 4.550 4.550 5.066 -0.516 19452 1497 1 3 . 1 1 101 101 SER C C 101 172.400 172.400 173.497 -1.097 19452 1498 1 3 . 1 1 101 101 SER CA C 101 57.200 57.200 57.653 -0.453 19452 1499 1 3 . 1 1 101 101 SER CB C 101 64.400 64.400 64.148 0.252 19452 1500 1 3 . 1 1 101 101 SER H H 101 7.260 7.260 8.455 -1.195 19452 1501 1 3 . 1 1 102 102 GLN N N 102 119.900 119.900 123.684 -3.784 19452 1502 1 3 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.580 -0.360 19452 1503 1 3 . 1 1 102 102 GLN C C 102 173.800 173.800 174.958 -1.158 19452 1504 1 3 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.631 0.769 19452 1505 1 3 . 1 1 102 102 GLN CB C 102 31.800 31.800 33.000 -1.200 19452 1506 1 3 . 1 1 102 102 GLN H H 102 8.230 8.230 9.099 -0.869 19452 1507 1 3 . 1 1 103 103 VAL N N 103 123.800 123.800 120.262 3.538 19452 1508 1 3 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.358 -0.028 19452 1509 1 3 . 1 1 103 103 VAL C C 103 174.600 174.600 175.415 -0.815 19452 1510 1 3 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.583 -0.883 19452 1511 1 3 . 1 1 103 103 VAL CB C 103 34.600 34.600 34.778 -0.178 19452 1512 1 3 . 1 1 103 103 VAL H H 103 9.310 9.310 9.092 0.218 19452 1513 1 3 . 1 1 104 104 ILE N N 104 129.400 129.400 127.473 1.927 19452 1514 1 3 . 1 1 104 104 ILE C C 104 176.400 176.400 175.739 0.661 19452 1515 1 3 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.352 -0.852 19452 1516 1 3 . 1 1 104 104 ILE CB C 104 38.700 38.700 36.891 1.809 19452 1517 1 3 . 1 1 104 104 ILE H H 104 8.970 8.970 8.944 0.026 19452 1518 1 3 . 1 1 105 105 GLY N N 105 115.400 115.400 102.320 13.080 19452 1519 1 3 . 1 1 105 105 GLY C C 105 172.700 172.700 174.265 -1.565 19452 1520 1 3 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.509 -1.809 19452 1521 1 3 . 1 1 105 105 GLY H H 105 8.500 8.500 8.679 -0.179 19452 1522 1 3 . 1 1 106 106 ALA N N 106 120.200 120.200 120.864 -0.664 19452 1523 1 3 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.677 -0.297 19452 1524 1 3 . 1 1 106 106 ALA C C 106 176.300 176.300 175.963 0.337 19452 1525 1 3 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.329 0.171 19452 1526 1 3 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.744 -4.344 19452 1527 1 3 . 1 1 106 106 ALA H H 106 8.360 8.360 7.806 0.554 19452 1528 1 3 . 1 1 107 107 ASP N N 107 121.100 121.100 122.402 -1.302 19452 1529 1 3 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.436 -0.666 19452 1530 1 3 . 1 1 107 107 ASP C C 107 176.600 176.600 175.376 1.224 19452 1531 1 3 . 1 1 107 107 ASP CA C 107 52.600 52.600 53.355 -0.755 19452 1532 1 3 . 1 1 107 107 ASP CB C 107 40.600 40.600 42.018 -1.418 19452 1533 1 3 . 1 1 107 107 ASP H H 107 7.610 7.610 8.613 -1.003 19452 1534 1 3 . 1 1 108 108 ILE N N 108 125.700 125.700 120.934 4.766 19452 1535 1 3 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.469 -0.459 19452 1536 1 3 . 1 1 108 108 ILE C C 108 176.400 176.400 175.867 0.533 19452 1537 1 3 . 1 1 108 108 ILE CA C 108 60.700 60.700 60.657 0.043 19452 1538 1 3 . 1 1 108 108 ILE CB C 108 38.300 38.300 37.930 0.370 19452 1539 1 3 . 1 1 108 108 ILE H H 108 8.550 8.550 8.275 0.275 19452 1540 1 3 . 1 1 109 109 SER N N 109 117.700 117.700 110.663 7.037 19452 1541 1 3 . 1 1 109 109 SER HA H 109 4.180 4.180 4.550 -0.370 19452 1542 1 3 . 1 1 109 109 SER C C 109 177.300 177.300 171.877 5.423 19452 1543 1 3 . 1 1 109 109 SER CA C 109 61.700 61.700 58.479 3.221 19452 1544 1 3 . 1 1 109 109 SER CB C 109 62.100 62.100 65.309 -3.209 19452 1545 1 3 . 1 1 109 109 SER H H 109 8.330 8.330 7.460 0.870 19452 1546 1 3 . 1 1 110 110 LYS N N 110 123.200 123.200 120.777 2.423 19452 1547 1 3 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.753 -0.533 19452 1548 1 3 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.363 2.737 19452 1549 1 3 . 1 1 110 110 LYS CB C 110 32.300 32.300 33.989 -1.689 19452 1550 1 3 . 1 1 110 110 LYS H H 110 7.480 7.480 8.301 -0.821 19452 1551 1 3 . 1 1 111 111 ILE N N 111 119.300 119.300 125.030 -5.730 19452 1552 1 3 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.410 -0.380 19452 1553 1 3 . 1 1 111 111 ILE C C 111 177.200 177.200 174.574 2.626 19452 1554 1 3 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.571 0.529 19452 1555 1 3 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.940 -2.140 19452 1556 1 3 . 1 1 111 111 ILE H H 111 7.640 7.640 8.070 -0.430 19452 1557 1 3 . 1 1 112 112 ILE N N 112 118.700 118.700 124.997 -6.297 19452 1558 1 3 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.420 -0.990 19452 1559 1 3 . 1 1 112 112 ILE C C 112 177.700 177.700 175.977 1.723 19452 1560 1 3 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.523 5.577 19452 1561 1 3 . 1 1 112 112 ILE CB C 112 38.500 38.500 39.017 -0.518 19452 1562 1 3 . 1 1 112 112 ILE H H 112 8.410 8.410 8.414 -0.004 19452 1563 1 3 . 1 1 113 113 SER N N 113 113.800 113.800 121.012 -7.212 19452 1564 1 3 . 1 1 113 113 SER HA H 113 4.200 4.200 4.306 -0.106 19452 1565 1 3 . 1 1 113 113 SER C C 113 177.200 177.200 172.378 4.822 19452 1566 1 3 . 1 1 113 113 SER CA C 113 62.000 62.000 57.308 4.692 19452 1567 1 3 . 1 1 113 113 SER H H 113 7.920 7.920 8.130 -0.210 19452 1568 1 3 . 1 1 114 114 GLU N N 114 119.400 119.400 121.260 -1.860 19452 1569 1 3 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.663 -0.513 19452 1570 1 3 . 1 1 114 114 GLU C C 114 179.900 179.900 175.505 4.395 19452 1571 1 3 . 1 1 114 114 GLU CA C 114 58.500 58.500 56.076 2.424 19452 1572 1 3 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.027 -2.727 19452 1573 1 3 . 1 1 114 114 GLU H H 114 8.010 8.010 8.435 -0.425 19452 1574 1 3 . 1 1 115 115 ILE N N 115 121.700 121.700 125.850 -4.150 19452 1575 1 3 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.406 -1.026 19452 1576 1 3 . 1 1 115 115 ILE C C 115 178.100 178.100 175.641 2.459 19452 1577 1 3 . 1 1 115 115 ILE CA C 115 66.000 66.000 61.280 4.720 19452 1578 1 3 . 1 1 115 115 ILE CB C 115 37.700 37.700 39.904 -2.204 19452 1579 1 3 . 1 1 115 115 ILE H H 115 8.370 8.370 8.031 0.339 19452 1580 1 3 . 1 1 116 116 ASN N N 116 116.100 116.100 122.876 -6.776 19452 1581 1 3 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.357 -0.027 19452 1582 1 3 . 1 1 116 116 ASN C C 116 177.900 177.900 175.861 2.039 19452 1583 1 3 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.417 0.483 19452 1584 1 3 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.899 -1.299 19452 1585 1 3 . 1 1 116 116 ASN H H 116 8.230 8.230 8.535 -0.305 19452 1586 1 3 . 1 1 117 117 ASN N N 117 115.400 115.400 115.880 -0.480 19452 1587 1 3 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.421 0.209 19452 1588 1 3 . 1 1 117 117 ASN C C 117 176.200 176.200 176.925 -0.725 19452 1589 1 3 . 1 1 117 117 ASN CA C 117 54.300 54.300 55.860 -1.560 19452 1590 1 3 . 1 1 117 117 ASN CB C 117 39.100 39.100 38.039 1.061 19452 1591 1 3 . 1 1 117 117 ASN H H 117 7.930 7.930 8.378 -0.448 19452 1592 1 3 . 1 1 118 118 ASN N N 118 115.400 115.400 121.332 -5.932 19452 1593 1 3 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.598 0.412 19452 1594 1 3 . 1 1 118 118 ASN C C 118 174.400 174.400 177.203 -2.803 19452 1595 1 3 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.107 -0.907 19452 1596 1 3 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.096 4.104 19452 1597 1 3 . 1 1 118 118 ASN H H 118 7.710 7.710 7.578 0.132 19452 1598 1 3 . 1 1 119 119 ILE N N 119 117.300 117.300 117.875 -0.575 19452 1599 1 3 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.749 0.571 19452 1600 1 3 . 1 1 119 119 ILE C C 119 174.900 174.900 177.690 -2.790 19452 1601 1 3 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.970 -2.770 19452 1602 1 3 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.499 1.700 19452 1603 1 3 . 1 1 119 119 ILE H H 119 7.520 7.520 7.971 -0.451 19452 1604 1 3 . 1 1 120 120 ASN N N 120 124.900 124.900 114.427 10.473 19452 1605 1 3 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.499 0.011 19452 1606 1 3 . 1 1 120 120 ASN CA C 120 55.000 55.000 55.920 -0.920 19452 1607 1 3 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.823 2.377 19452 1608 1 3 . 1 1 120 120 ASN H H 120 7.960 7.960 8.052 -0.092 19452 1609 1 4 . 1 1 2 2 GLY N N 2 109.900 109.900 109.987 -0.087 19452 1610 1 4 . 1 1 2 2 GLY C C 2 174.400 174.400 173.476 0.924 19452 1611 1 4 . 1 1 2 2 GLY CA C 2 45.600 45.600 44.806 0.794 19452 1612 1 4 . 1 1 2 2 GLY H H 2 8.480 8.480 8.231 0.249 19452 1613 1 4 . 1 1 3 3 THR N N 3 113.700 113.700 114.870 -1.170 19452 1614 1 4 . 1 1 3 3 THR C C 3 174.900 174.900 173.042 1.858 19452 1615 1 4 . 1 1 3 3 THR CA C 3 62.400 62.400 61.847 0.553 19452 1616 1 4 . 1 1 3 3 THR CB C 3 70.000 70.000 69.421 0.579 19452 1617 1 4 . 1 1 3 3 THR H H 3 8.090 8.090 8.250 -0.160 19452 1618 1 4 . 1 1 4 4 LEU N N 4 124.100 124.100 124.143 -0.043 19452 1619 1 4 . 1 1 4 4 LEU C C 4 177.600 177.600 175.473 2.127 19452 1620 1 4 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.684 1.016 19452 1621 1 4 . 1 1 4 4 LEU CB C 4 42.300 42.300 44.081 -1.781 19452 1622 1 4 . 1 1 4 4 LEU H H 4 8.400 8.400 8.388 0.012 19452 1623 1 4 . 1 1 5 5 GLU N N 5 121.600 121.600 122.979 -1.379 19452 1624 1 4 . 1 1 5 5 GLU C C 5 176.500 176.500 175.668 0.832 19452 1625 1 4 . 1 1 5 5 GLU CA C 5 57.000 57.000 55.974 1.026 19452 1626 1 4 . 1 1 5 5 GLU CB C 5 29.900 29.900 31.100 -1.200 19452 1627 1 4 . 1 1 5 5 GLU H H 5 8.430 8.430 8.681 -0.251 19452 1628 1 4 . 1 1 6 6 ALA N N 6 124.500 124.500 123.754 0.746 19452 1629 1 4 . 1 1 6 6 ALA C C 6 177.900 177.900 176.167 1.733 19452 1630 1 4 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.405 1.495 19452 1631 1 4 . 1 1 6 6 ALA CB C 6 19.200 19.200 19.977 -0.777 19452 1632 1 4 . 1 1 6 6 ALA H H 6 8.330 8.330 8.185 0.145 19452 1633 1 4 . 1 1 7 7 GLN N N 7 119.200 119.200 120.639 -1.439 19452 1634 1 4 . 1 1 7 7 GLN C C 7 176.400 176.400 175.061 1.339 19452 1635 1 4 . 1 1 7 7 GLN CA C 7 56.000 56.000 54.971 1.029 19452 1636 1 4 . 1 1 7 7 GLN CB C 7 29.200 29.200 30.390 -1.190 19452 1637 1 4 . 1 1 7 7 GLN H H 7 8.400 8.400 8.831 -0.431 19452 1638 1 4 . 1 1 8 8 THR N N 8 115.100 115.100 113.818 1.282 19452 1639 1 4 . 1 1 8 8 THR C C 8 174.500 174.500 172.934 1.566 19452 1640 1 4 . 1 1 8 8 THR CA C 8 62.300 62.300 60.800 1.500 19452 1641 1 4 . 1 1 8 8 THR CB C 8 70.000 70.000 71.576 -1.576 19452 1642 1 4 . 1 1 8 8 THR H H 8 8.210 8.210 8.538 -0.328 19452 1643 1 4 . 1 1 9 9 GLN N N 9 122.300 122.300 120.008 2.292 19452 1644 1 4 . 1 1 9 9 GLN C C 9 176.100 176.100 174.673 1.427 19452 1645 1 4 . 1 1 9 9 GLN CA C 9 55.900 55.900 55.397 0.503 19452 1646 1 4 . 1 1 9 9 GLN CB C 9 29.500 29.500 31.658 -2.158 19452 1647 1 4 . 1 1 9 9 GLN H H 9 8.470 8.470 8.630 -0.160 19452 1648 1 4 . 1 1 10 10 GLY N N 10 110.300 110.300 112.961 -2.661 19452 1649 1 4 . 1 1 10 10 GLY CA C 10 44.400 44.400 45.028 -0.628 19452 1650 1 4 . 1 1 10 10 GLY H H 10 8.360 8.360 8.702 -0.342 19452 1651 1 4 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.519 -0.079 19452 1652 1 4 . 1 1 11 11 PRO C C 11 177.800 177.800 177.054 0.746 19452 1653 1 4 . 1 1 11 11 PRO CA C 11 63.300 63.300 61.942 1.358 19452 1654 1 4 . 1 1 11 11 PRO CB C 11 32.000 32.000 33.408 -1.408 19452 1655 1 4 . 1 1 12 12 GLY N N 12 109.600 109.600 114.416 -4.816 19452 1656 1 4 . 1 1 12 12 GLY CA C 12 44.900 44.900 45.497 -0.597 19452 1657 1 4 . 1 1 12 12 GLY H H 12 8.600 8.600 8.835 -0.235 19452 1658 1 4 . 1 1 13 13 SER N N 13 114.700 114.700 122.092 -7.392 19452 1659 1 4 . 1 1 13 13 SER HA H 13 4.510 4.510 4.676 -0.166 19452 1660 1 4 . 1 1 13 13 SER C C 13 175.300 175.300 173.029 2.271 19452 1661 1 4 . 1 1 13 13 SER CA C 13 57.800 57.800 57.873 -0.073 19452 1662 1 4 . 1 1 13 13 SER CB C 13 62.300 62.300 63.767 -1.466 19452 1663 1 4 . 1 1 13 13 SER H H 13 8.130 8.130 8.794 -0.664 19452 1664 1 4 . 1 1 14 14 MET N N 14 124.300 124.300 123.472 0.828 19452 1665 1 4 . 1 1 14 14 MET HA H 14 4.470 4.470 4.702 -0.232 19452 1666 1 4 . 1 1 14 14 MET CA C 14 55.700 55.700 55.080 0.620 19452 1667 1 4 . 1 1 14 14 MET CB C 14 32.700 32.700 33.914 -1.214 19452 1668 1 4 . 1 1 14 14 MET H H 14 9.430 9.430 8.300 1.130 19452 1669 1 4 . 1 1 15 15 ILE N N 15 122.600 122.600 120.099 2.501 19452 1670 1 4 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.289 -0.279 19452 1671 1 4 . 1 1 15 15 ILE C C 15 175.300 175.300 174.941 0.359 19452 1672 1 4 . 1 1 15 15 ILE CA C 15 60.700 60.700 61.690 -0.990 19452 1673 1 4 . 1 1 15 15 ILE CB C 15 37.500 37.500 39.734 -2.235 19452 1674 1 4 . 1 1 15 15 ILE H H 15 8.520 8.520 8.319 0.201 19452 1675 1 4 . 1 1 16 16 GLU N N 16 129.300 129.300 127.453 1.847 19452 1676 1 4 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.258 0.112 19452 1677 1 4 . 1 1 16 16 GLU C C 16 175.500 175.500 176.019 -0.519 19452 1678 1 4 . 1 1 16 16 GLU CA C 16 56.100 56.100 57.216 -1.116 19452 1679 1 4 . 1 1 16 16 GLU CB C 16 31.400 31.400 29.238 2.162 19452 1680 1 4 . 1 1 16 16 GLU H H 16 8.220 8.220 8.759 -0.539 19452 1681 1 4 . 1 1 17 17 GLN N N 17 124.500 124.500 126.287 -1.787 19452 1682 1 4 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.579 0.541 19452 1683 1 4 . 1 1 17 17 GLN C C 17 176.000 176.000 174.909 1.091 19452 1684 1 4 . 1 1 17 17 GLN CA C 17 55.200 55.200 55.604 -0.404 19452 1685 1 4 . 1 1 17 17 GLN CB C 17 30.400 30.400 29.648 0.752 19452 1686 1 4 . 1 1 17 17 GLN H H 17 8.810 8.810 8.218 0.592 19452 1687 1 4 . 1 1 18 18 ILE N N 18 118.700 118.700 125.108 -6.408 19452 1688 1 4 . 1 1 18 18 ILE C C 18 174.400 174.400 173.962 0.438 19452 1689 1 4 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.250 -1.650 19452 1690 1 4 . 1 1 18 18 ILE H H 18 8.840 8.840 8.404 0.436 19452 1691 1 4 . 1 1 19 19 GLY C C 19 174.800 174.800 174.025 0.775 19452 1692 1 4 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.735 -1.635 19452 1693 1 4 . 1 1 20 20 ASP N N 20 119.100 119.100 119.199 -0.099 19452 1694 1 4 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.666 -0.076 19452 1695 1 4 . 1 1 20 20 ASP C C 20 179.900 179.900 175.654 4.246 19452 1696 1 4 . 1 1 20 20 ASP CA C 20 58.000 58.000 54.274 3.726 19452 1697 1 4 . 1 1 20 20 ASP H H 20 8.090 8.090 8.404 -0.314 19452 1698 1 4 . 1 1 21 21 SER N N 21 112.000 112.000 116.112 -4.112 19452 1699 1 4 . 1 1 21 21 SER HA H 21 4.320 4.320 4.685 -0.365 19452 1700 1 4 . 1 1 21 21 SER CA C 21 60.700 60.700 57.955 2.745 19452 1701 1 4 . 1 1 21 21 SER CB C 21 62.500 62.500 64.242 -1.742 19452 1702 1 4 . 1 1 21 21 SER H H 21 8.750 8.750 8.188 0.562 19452 1703 1 4 . 1 1 22 22 GLU N N 22 119.000 119.000 125.605 -6.605 19452 1704 1 4 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.176 0.404 19452 1705 1 4 . 1 1 22 22 GLU C C 22 176.000 176.000 175.959 0.041 19452 1706 1 4 . 1 1 22 22 GLU CA C 22 56.200 56.200 58.005 -1.805 19452 1707 1 4 . 1 1 22 22 GLU CB C 22 31.600 31.600 29.957 1.643 19452 1708 1 4 . 1 1 22 22 GLU H H 22 7.660 7.660 8.529 -0.869 19452 1709 1 4 . 1 1 23 23 PHE N N 23 120.900 120.900 119.006 1.894 19452 1710 1 4 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.654 -1.084 19452 1711 1 4 . 1 1 23 23 PHE C C 23 176.500 176.500 174.878 1.622 19452 1712 1 4 . 1 1 23 23 PHE CA C 23 63.100 63.100 57.611 5.489 19452 1713 1 4 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.063 1.637 19452 1714 1 4 . 1 1 23 23 PHE H H 23 7.490 7.490 7.806 -0.316 19452 1715 1 4 . 1 1 24 24 ASP N N 24 118.500 118.500 126.042 -7.542 19452 1716 1 4 . 1 1 24 24 ASP HA H 24 4.630 4.630 5.030 -0.400 19452 1717 1 4 . 1 1 24 24 ASP C C 24 178.400 178.400 174.533 3.867 19452 1718 1 4 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.279 4.421 19452 1719 1 4 . 1 1 24 24 ASP CB C 24 40.200 40.200 44.029 -3.829 19452 1720 1 4 . 1 1 24 24 ASP H H 24 8.900 8.900 8.663 0.237 19452 1721 1 4 . 1 1 25 25 ASN N N 25 117.200 117.200 120.358 -3.158 19452 1722 1 4 . 1 1 25 25 ASN HA H 25 4.200 4.200 5.142 -0.942 19452 1723 1 4 . 1 1 25 25 ASN C C 25 176.400 176.400 175.838 0.562 19452 1724 1 4 . 1 1 25 25 ASN CA C 25 56.000 56.000 53.751 2.249 19452 1725 1 4 . 1 1 25 25 ASN CB C 25 39.000 39.000 38.961 0.039 19452 1726 1 4 . 1 1 26 26 LYS N N 26 112.800 112.800 119.367 -6.567 19452 1727 1 4 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.690 -0.690 19452 1728 1 4 . 1 1 26 26 LYS C C 26 175.500 175.500 175.128 0.372 19452 1729 1 4 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.149 2.151 19452 1730 1 4 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.538 -2.538 19452 1731 1 4 . 1 1 26 26 LYS H H 26 7.730 7.730 8.800 -1.070 19452 1732 1 4 . 1 1 27 27 VAL N N 27 114.500 114.500 116.816 -2.316 19452 1733 1 4 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.510 -0.470 19452 1734 1 4 . 1 1 27 27 VAL C C 27 177.900 177.900 175.481 2.419 19452 1735 1 4 . 1 1 27 27 VAL CA C 27 63.700 63.700 61.092 2.608 19452 1736 1 4 . 1 1 27 27 VAL H H 27 7.680 7.680 8.231 -0.551 19452 1737 1 4 . 1 1 28 28 THR N N 28 110.000 110.000 113.668 -3.668 19452 1738 1 4 . 1 1 28 28 THR HA H 28 3.710 3.710 4.054 -0.344 19452 1739 1 4 . 1 1 28 28 THR C C 28 175.800 175.800 176.321 -0.521 19452 1740 1 4 . 1 1 28 28 THR CA C 28 65.200 65.200 64.508 0.692 19452 1741 1 4 . 1 1 28 28 THR CB C 28 68.100 68.100 68.609 -0.509 19452 1742 1 4 . 1 1 28 28 THR H H 28 7.010 7.010 8.387 -1.377 19452 1743 1 4 . 1 1 29 29 SER N N 29 113.600 113.600 112.982 0.618 19452 1744 1 4 . 1 1 29 29 SER HA H 29 4.480 4.480 4.349 0.131 19452 1745 1 4 . 1 1 29 29 SER C C 29 174.200 174.200 175.599 -1.399 19452 1746 1 4 . 1 1 29 29 SER CA C 29 58.500 58.500 59.737 -1.237 19452 1747 1 4 . 1 1 29 29 SER CB C 29 63.300 63.300 62.873 0.427 19452 1748 1 4 . 1 1 29 29 SER H H 29 8.350 8.350 8.081 0.269 19452 1749 1 4 . 1 1 30 30 CYS N N 30 120.000 120.000 118.847 1.153 19452 1750 1 4 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.494 -0.374 19452 1751 1 4 . 1 1 30 30 CYS C C 30 174.200 174.200 176.031 -1.831 19452 1752 1 4 . 1 1 30 30 CYS CA C 30 69.700 69.700 59.345 10.355 19452 1753 1 4 . 1 1 30 30 CYS CB C 30 27.800 27.800 26.817 0.983 19452 1754 1 4 . 1 1 30 30 CYS H H 30 6.810 6.810 8.195 -1.385 19452 1755 1 4 . 1 1 31 31 ASN N N 31 124.300 124.300 120.701 3.599 19452 1756 1 4 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.223 0.887 19452 1757 1 4 . 1 1 31 31 ASN C C 31 174.900 174.900 176.028 -1.128 19452 1758 1 4 . 1 1 31 31 ASN CA C 31 52.400 52.400 56.854 -4.454 19452 1759 1 4 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.344 0.156 19452 1760 1 4 . 1 1 31 31 ASN H H 31 8.760 8.760 8.120 0.640 19452 1761 1 4 . 1 1 32 32 ASP N N 32 119.000 119.000 116.635 2.365 19452 1762 1 4 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.901 0.659 19452 1763 1 4 . 1 1 32 32 ASP C C 32 176.600 176.600 178.994 -2.394 19452 1764 1 4 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.718 -3.218 19452 1765 1 4 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.867 2.133 19452 1766 1 4 . 1 1 32 32 ASP H H 32 7.720 7.720 8.690 -0.970 19452 1767 1 4 . 1 1 33 33 ASN N N 33 115.400 115.400 117.678 -2.278 19452 1768 1 4 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.443 -0.273 19452 1769 1 4 . 1 1 33 33 ASN C C 33 173.700 173.700 176.436 -2.736 19452 1770 1 4 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.579 -1.279 19452 1771 1 4 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.690 -0.890 19452 1772 1 4 . 1 1 33 33 ASN H H 33 9.750 9.750 8.129 1.621 19452 1773 1 4 . 1 1 34 34 ILE N N 34 120.700 120.700 115.515 5.185 19452 1774 1 4 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.321 -0.301 19452 1775 1 4 . 1 1 34 34 ILE C C 34 175.500 175.500 176.932 -1.432 19452 1776 1 4 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.139 -2.739 19452 1777 1 4 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.481 -1.981 19452 1778 1 4 . 1 1 34 34 ILE H H 34 7.850 7.850 7.702 0.148 19452 1779 1 4 . 1 1 35 35 LEU N N 35 128.400 128.400 121.962 6.438 19452 1780 1 4 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.069 0.601 19452 1781 1 4 . 1 1 35 35 LEU C C 35 173.700 173.700 177.664 -3.964 19452 1782 1 4 . 1 1 35 35 LEU CA C 35 54.900 54.900 57.913 -3.013 19452 1783 1 4 . 1 1 35 35 LEU CB C 35 42.400 42.400 42.404 -0.004 19452 1784 1 4 . 1 1 35 35 LEU H H 35 8.100 8.100 7.934 0.166 19452 1785 1 4 . 1 1 36 36 ILE N N 36 128.800 128.800 119.901 8.899 19452 1786 1 4 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.856 1.194 19452 1787 1 4 . 1 1 36 36 ILE C C 36 175.800 175.800 177.821 -2.021 19452 1788 1 4 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.517 -4.717 19452 1789 1 4 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.578 2.322 19452 1790 1 4 . 1 1 36 36 ILE H H 36 9.320 9.320 7.609 1.711 19452 1791 1 4 . 1 1 37 37 LEU N N 37 129.600 129.600 121.246 8.354 19452 1792 1 4 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.256 1.014 19452 1793 1 4 . 1 1 37 37 LEU C C 37 175.500 175.500 176.754 -1.254 19452 1794 1 4 . 1 1 37 37 LEU CA C 37 54.000 54.000 55.861 -1.861 19452 1795 1 4 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.364 2.436 19452 1796 1 4 . 1 1 37 37 LEU H H 37 9.400 9.400 7.659 1.741 19452 1797 1 4 . 1 1 38 38 VAL N N 38 120.100 120.100 124.038 -3.938 19452 1798 1 4 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.965 0.625 19452 1799 1 4 . 1 1 38 38 VAL C C 38 174.000 174.000 175.496 -1.496 19452 1800 1 4 . 1 1 38 38 VAL CA C 38 61.100 61.100 63.050 -1.950 19452 1801 1 4 . 1 1 38 38 VAL CB C 38 33.500 33.500 30.853 2.647 19452 1802 1 4 . 1 1 38 38 VAL H H 38 9.440 9.440 7.389 2.051 19452 1803 1 4 . 1 1 39 39 ASP N N 39 125.600 125.600 124.697 0.903 19452 1804 1 4 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.665 0.505 19452 1805 1 4 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.193 -2.293 19452 1806 1 4 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.080 -2.280 19452 1807 1 4 . 1 1 39 39 ASP H H 39 9.240 9.240 8.271 0.969 19452 1808 1 4 . 1 1 40 40 PHE N N 40 119.600 119.600 119.506 0.094 19452 1809 1 4 . 1 1 40 40 PHE H H 40 8.860 8.860 7.845 1.015 19452 1810 1 4 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.494 -0.084 19452 1811 1 4 . 1 1 53 53 PRO CA C 53 65.500 65.500 62.564 2.936 19452 1812 1 4 . 1 1 53 53 PRO CB C 53 30.800 30.800 34.188 -3.388 19452 1813 1 4 . 1 1 54 54 GLN N N 54 115.300 115.300 119.515 -4.215 19452 1814 1 4 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.705 -0.505 19452 1815 1 4 . 1 1 54 54 GLN C C 54 179.400 179.400 173.807 5.593 19452 1816 1 4 . 1 1 54 54 GLN CA C 54 58.000 58.000 54.810 3.190 19452 1817 1 4 . 1 1 54 54 GLN H H 54 7.080 7.080 8.190 -1.110 19452 1818 1 4 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.449 -0.459 19452 1819 1 4 . 1 1 55 55 LEU C C 55 178.700 178.700 176.138 2.562 19452 1820 1 4 . 1 1 55 55 LEU CA C 55 57.300 57.300 56.082 1.218 19452 1821 1 4 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.933 -1.633 19452 1822 1 4 . 1 1 56 56 GLU N N 56 118.900 118.900 116.962 1.938 19452 1823 1 4 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.535 -0.695 19452 1824 1 4 . 1 1 56 56 GLU C C 56 179.100 179.100 175.764 3.336 19452 1825 1 4 . 1 1 56 56 GLU CA C 56 59.500 59.500 56.062 3.438 19452 1826 1 4 . 1 1 56 56 GLU CB C 56 29.000 29.000 30.822 -1.822 19452 1827 1 4 . 1 1 56 56 GLU H H 56 8.150 8.150 7.771 0.379 19452 1828 1 4 . 1 1 57 57 LYS N N 57 117.000 117.000 120.353 -3.353 19452 1829 1 4 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.134 -0.064 19452 1830 1 4 . 1 1 57 57 LYS C C 57 179.800 179.800 175.075 4.725 19452 1831 1 4 . 1 1 57 57 LYS CA C 57 59.000 59.000 56.998 2.002 19452 1832 1 4 . 1 1 57 57 LYS CB C 57 31.900 31.900 30.897 1.003 19452 1833 1 4 . 1 1 57 57 LYS H H 57 7.160 7.160 8.359 -1.199 19452 1834 1 4 . 1 1 58 58 LEU N N 58 119.900 119.900 116.683 3.217 19452 1835 1 4 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.152 0.048 19452 1836 1 4 . 1 1 58 58 LEU C C 58 178.700 178.700 177.035 1.665 19452 1837 1 4 . 1 1 58 58 LEU CA C 58 57.700 57.700 55.262 2.438 19452 1838 1 4 . 1 1 58 58 LEU CB C 58 41.700 41.700 42.089 -0.389 19452 1839 1 4 . 1 1 58 58 LEU H H 58 7.650 7.650 8.209 -0.559 19452 1840 1 4 . 1 1 59 59 ALA N N 59 120.700 120.700 123.881 -3.181 19452 1841 1 4 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.319 -0.459 19452 1842 1 4 . 1 1 59 59 ALA C C 59 180.000 180.000 178.093 1.907 19452 1843 1 4 . 1 1 59 59 ALA CA C 59 54.600 54.600 53.515 1.085 19452 1844 1 4 . 1 1 59 59 ALA CB C 59 18.000 18.000 19.490 -1.490 19452 1845 1 4 . 1 1 59 59 ALA H H 59 8.440 8.440 7.825 0.615 19452 1846 1 4 . 1 1 60 60 GLN N N 60 113.100 113.100 115.648 -2.548 19452 1847 1 4 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.118 -0.058 19452 1848 1 4 . 1 1 60 60 GLN C C 60 177.800 177.800 174.685 3.115 19452 1849 1 4 . 1 1 60 60 GLN CA C 60 57.500 57.500 55.550 1.950 19452 1850 1 4 . 1 1 60 60 GLN CB C 60 28.800 28.800 27.895 0.904 19452 1851 1 4 . 1 1 60 60 GLN H H 60 7.340 7.340 8.223 -0.883 19452 1852 1 4 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.156 -0.126 19452 1853 1 4 . 1 1 61 61 GLN C C 61 177.300 177.300 176.653 0.647 19452 1854 1 4 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.221 0.579 19452 1855 1 4 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.070 -0.070 19452 1856 1 4 . 1 1 62 62 TYR N N 62 117.300 117.300 118.282 -0.982 19452 1857 1 4 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.284 0.696 19452 1858 1 4 . 1 1 62 62 TYR C C 62 175.800 175.800 178.342 -2.542 19452 1859 1 4 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.904 -4.804 19452 1860 1 4 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.527 0.373 19452 1861 1 4 . 1 1 62 62 TYR H H 62 7.950 7.950 8.873 -0.923 19452 1862 1 4 . 1 1 63 63 THR N N 63 111.900 111.900 112.496 -0.596 19452 1863 1 4 . 1 1 63 63 THR HA H 63 4.190 4.190 3.936 0.254 19452 1864 1 4 . 1 1 63 63 THR C C 63 175.700 175.700 176.739 -1.039 19452 1865 1 4 . 1 1 63 63 THR CA C 63 64.600 64.600 65.477 -0.877 19452 1866 1 4 . 1 1 63 63 THR CB C 63 69.200 69.200 68.316 0.884 19452 1867 1 4 . 1 1 63 63 THR H H 63 7.110 7.110 7.507 -0.397 19452 1868 1 4 . 1 1 64 64 GLU N N 64 117.500 117.500 118.516 -1.016 19452 1869 1 4 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.958 0.343 19452 1870 1 4 . 1 1 64 64 GLU C C 64 177.400 177.400 179.110 -1.710 19452 1871 1 4 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.197 -1.197 19452 1872 1 4 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.070 1.030 19452 1873 1 4 . 1 1 64 64 GLU H H 64 8.610 8.610 7.824 0.786 19452 1874 1 4 . 1 1 65 65 ASN N N 65 113.300 113.300 118.157 -4.857 19452 1875 1 4 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.444 0.546 19452 1876 1 4 . 1 1 65 65 ASN C C 65 173.600 173.600 178.266 -4.666 19452 1877 1 4 . 1 1 65 65 ASN CA C 65 54.000 54.000 55.793 -1.793 19452 1878 1 4 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.353 2.747 19452 1879 1 4 . 1 1 65 65 ASN H H 65 8.050 8.050 8.456 -0.406 19452 1880 1 4 . 1 1 66 66 VAL N N 66 119.200 119.200 117.564 1.636 19452 1881 1 4 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.925 1.615 19452 1882 1 4 . 1 1 66 66 VAL C C 66 174.900 174.900 177.932 -3.032 19452 1883 1 4 . 1 1 66 66 VAL CA C 66 59.900 59.900 63.771 -3.871 19452 1884 1 4 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.775 4.925 19452 1885 1 4 . 1 1 66 66 VAL H H 66 7.890 7.890 8.040 -0.150 19452 1886 1 4 . 1 1 67 67 LYS N N 67 127.600 127.600 119.845 7.755 19452 1887 1 4 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.841 0.719 19452 1888 1 4 . 1 1 67 67 LYS C C 67 173.600 173.600 178.463 -4.863 19452 1889 1 4 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.504 -5.404 19452 1890 1 4 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.674 4.526 19452 1891 1 4 . 1 1 67 67 LYS H H 67 8.700 8.700 8.129 0.571 19452 1892 1 4 . 1 1 68 68 ILE N N 68 123.200 123.200 116.209 6.991 19452 1893 1 4 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.869 0.711 19452 1894 1 4 . 1 1 68 68 ILE C C 68 173.900 173.900 179.220 -5.320 19452 1895 1 4 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.631 -3.131 19452 1896 1 4 . 1 1 68 68 ILE CB C 68 38.500 38.500 38.044 0.456 19452 1897 1 4 . 1 1 68 68 ILE H H 68 8.770 8.770 7.543 1.227 19452 1898 1 4 . 1 1 69 69 TYR N N 69 124.400 124.400 118.624 5.776 19452 1899 1 4 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.171 1.489 19452 1900 1 4 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.374 -4.774 19452 1901 1 4 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.953 4.447 19452 1902 1 4 . 1 1 69 69 TYR H H 69 9.060 9.060 7.604 1.456 19452 1903 1 4 . 1 1 73 73 ILE C C 73 177.400 177.400 173.667 3.733 19452 1904 1 4 . 1 1 73 73 ILE CA C 73 62.600 62.600 60.941 1.659 19452 1905 1 4 . 1 1 74 74 GLU N N 74 121.800 121.800 120.142 1.658 19452 1906 1 4 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.822 -0.542 19452 1907 1 4 . 1 1 74 74 GLU C C 74 177.800 177.800 174.739 3.061 19452 1908 1 4 . 1 1 74 74 GLU CA C 74 58.900 58.900 55.044 3.857 19452 1909 1 4 . 1 1 74 74 GLU CB C 74 29.700 29.700 33.005 -3.304 19452 1910 1 4 . 1 1 74 74 GLU H H 74 8.560 8.560 7.808 0.752 19452 1911 1 4 . 1 1 75 75 ASP N N 75 114.200 114.200 124.480 -10.280 19452 1912 1 4 . 1 1 75 75 ASP C C 75 175.800 175.800 174.053 1.747 19452 1913 1 4 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.288 2.712 19452 1914 1 4 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.821 -3.021 19452 1915 1 4 . 1 1 75 75 ASP H H 75 6.840 6.840 8.912 -2.072 19452 1916 1 4 . 1 1 76 76 ASN N N 76 118.400 118.400 117.755 0.645 19452 1917 1 4 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.373 -0.353 19452 1918 1 4 . 1 1 76 76 ASN C C 76 174.000 174.000 173.450 0.550 19452 1919 1 4 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.185 1.515 19452 1920 1 4 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.172 -0.572 19452 1921 1 4 . 1 1 76 76 ASN H H 76 7.600 7.600 8.249 -0.649 19452 1922 1 4 . 1 1 77 77 GLN N N 77 122.000 122.000 124.920 -2.920 19452 1923 1 4 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.812 -0.072 19452 1924 1 4 . 1 1 77 77 GLN C C 77 177.800 177.800 174.030 3.770 19452 1925 1 4 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.940 2.460 19452 1926 1 4 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.463 -2.863 19452 1927 1 4 . 1 1 77 77 GLN H H 77 9.040 9.040 8.883 0.157 19452 1928 1 4 . 1 1 78 78 ASP N N 78 125.900 125.900 117.731 8.169 19452 1929 1 4 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.704 -1.294 19452 1930 1 4 . 1 1 78 78 ASP C C 78 178.900 178.900 174.599 4.301 19452 1931 1 4 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.288 7.412 19452 1932 1 4 . 1 1 78 78 ASP CB C 78 40.000 40.000 44.920 -4.920 19452 1933 1 4 . 1 1 78 78 ASP H H 78 10.210 10.210 9.142 1.068 19452 1934 1 4 . 1 1 79 79 VAL N N 79 123.800 123.800 116.959 6.841 19452 1935 1 4 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.597 -1.107 19452 1936 1 4 . 1 1 79 79 VAL C C 79 178.400 178.400 176.177 2.223 19452 1937 1 4 . 1 1 79 79 VAL CA C 79 66.500 66.500 59.859 6.641 19452 1938 1 4 . 1 1 79 79 VAL CB C 79 30.500 30.500 32.998 -2.498 19452 1939 1 4 . 1 1 79 79 VAL H H 79 8.130 8.130 8.711 -0.581 19452 1940 1 4 . 1 1 80 80 ALA N N 80 121.800 121.800 126.419 -4.619 19452 1941 1 4 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.267 -0.757 19452 1942 1 4 . 1 1 80 80 ALA C C 80 179.600 179.600 178.151 1.449 19452 1943 1 4 . 1 1 80 80 ALA CA C 80 54.900 54.900 53.772 1.128 19452 1944 1 4 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.594 -2.294 19452 1945 1 4 . 1 1 80 80 ALA H H 80 9.250 9.250 8.225 1.025 19452 1946 1 4 . 1 1 81 81 THR N N 81 113.200 113.200 114.528 -1.328 19452 1947 1 4 . 1 1 81 81 THR HA H 81 3.960 3.960 4.177 -0.217 19452 1948 1 4 . 1 1 81 81 THR C C 81 177.700 177.700 175.284 2.416 19452 1949 1 4 . 1 1 81 81 THR CA C 81 66.400 66.400 62.025 4.375 19452 1950 1 4 . 1 1 81 81 THR CB C 81 68.500 68.500 69.682 -1.182 19452 1951 1 4 . 1 1 81 81 THR H H 81 7.990 7.990 8.168 -0.178 19452 1952 1 4 . 1 1 82 82 GLN N N 82 123.800 123.800 123.978 -0.178 19452 1953 1 4 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.035 -0.185 19452 1954 1 4 . 1 1 82 82 GLN C C 82 177.900 177.900 176.182 1.718 19452 1955 1 4 . 1 1 82 82 GLN CA C 82 58.900 58.900 58.952 -0.052 19452 1956 1 4 . 1 1 82 82 GLN CB C 82 28.000 28.000 29.035 -1.036 19452 1957 1 4 . 1 1 82 82 GLN H H 82 8.170 8.170 8.448 -0.278 19452 1958 1 4 . 1 1 83 83 TYR N N 83 112.900 112.900 113.895 -0.995 19452 1959 1 4 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.539 -0.109 19452 1960 1 4 . 1 1 83 83 TYR C C 83 175.300 175.300 175.724 -0.424 19452 1961 1 4 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.631 0.369 19452 1962 1 4 . 1 1 83 83 TYR CB C 83 38.500 38.500 39.380 -0.880 19452 1963 1 4 . 1 1 83 83 TYR H H 83 7.780 7.780 8.047 -0.267 19452 1964 1 4 . 1 1 84 84 GLY N N 84 110.200 110.200 109.584 0.616 19452 1965 1 4 . 1 1 84 84 GLY C C 84 175.300 175.300 173.447 1.853 19452 1966 1 4 . 1 1 84 84 GLY CA C 84 47.100 47.100 45.801 1.299 19452 1967 1 4 . 1 1 84 84 GLY H H 84 7.670 7.670 8.361 -0.691 19452 1968 1 4 . 1 1 85 85 VAL N N 85 121.300 121.300 121.343 -0.043 19452 1969 1 4 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.421 -0.551 19452 1970 1 4 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.084 1.916 19452 1971 1 4 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.376 -2.876 19452 1972 1 4 . 1 1 85 85 VAL H H 85 8.500 8.500 7.875 0.625 19452 1973 1 4 . 1 1 90 90 THR HA H 90 5.170 5.170 4.030 1.140 19452 1974 1 4 . 1 1 90 90 THR C C 90 172.300 172.300 176.517 -4.217 19452 1975 1 4 . 1 1 90 90 THR CA C 90 63.500 63.500 64.616 -1.116 19452 1976 1 4 . 1 1 90 90 THR CB C 90 73.300 73.300 68.329 4.971 19452 1977 1 4 . 1 1 91 91 ILE N N 91 126.600 126.600 116.005 10.595 19452 1978 1 4 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.121 1.469 19452 1979 1 4 . 1 1 91 91 ILE C C 91 175.900 175.900 176.702 -0.802 19452 1980 1 4 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.240 -2.840 19452 1981 1 4 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.305 1.695 19452 1982 1 4 . 1 1 91 91 ILE H H 91 9.340 9.340 7.516 1.824 19452 1983 1 4 . 1 1 92 92 LEU N N 92 125.700 125.700 119.168 6.532 19452 1984 1 4 . 1 1 92 92 LEU HA H 92 5.120 5.120 4.064 1.056 19452 1985 1 4 . 1 1 92 92 LEU C C 92 176.100 176.100 176.096 0.004 19452 1986 1 4 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.639 -1.538 19452 1987 1 4 . 1 1 92 92 LEU H H 92 9.120 9.120 7.513 1.607 19452 1988 1 4 . 1 1 93 93 MET N N 93 117.700 117.700 118.404 -0.704 19452 1989 1 4 . 1 1 93 93 MET HA H 93 5.860 5.860 4.771 1.089 19452 1990 1 4 . 1 1 93 93 MET C C 93 174.400 174.400 175.293 -0.893 19452 1991 1 4 . 1 1 93 93 MET CA C 93 54.400 54.400 53.950 0.451 19452 1992 1 4 . 1 1 93 93 MET CB C 93 34.100 34.100 35.139 -1.039 19452 1993 1 4 . 1 1 93 93 MET H H 93 8.080 8.080 8.304 -0.224 19452 1994 1 4 . 1 1 94 94 PHE N N 94 123.300 123.300 124.874 -1.574 19452 1995 1 4 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.454 1.116 19452 1996 1 4 . 1 1 94 94 PHE C C 94 174.800 174.800 176.166 -1.366 19452 1997 1 4 . 1 1 94 94 PHE CA C 94 55.900 55.900 58.111 -2.211 19452 1998 1 4 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.974 4.826 19452 1999 1 4 . 1 1 94 94 PHE H H 94 9.990 9.990 8.414 1.576 19452 2000 1 4 . 1 1 95 95 LYS N N 95 117.100 117.100 120.475 -3.375 19452 2001 1 4 . 1 1 95 95 LYS C C 95 176.500 176.500 176.559 -0.059 19452 2002 1 4 . 1 1 95 95 LYS CA C 95 57.500 57.500 57.625 -0.125 19452 2003 1 4 . 1 1 95 95 LYS CB C 95 37.200 37.200 32.232 4.968 19452 2004 1 4 . 1 1 95 95 LYS H H 95 8.630 8.630 8.399 0.231 19452 2005 1 4 . 1 1 96 96 ASN N N 96 130.400 130.400 113.985 16.415 19452 2006 1 4 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.715 0.105 19452 2007 1 4 . 1 1 96 96 ASN C C 96 175.900 175.900 173.758 2.142 19452 2008 1 4 . 1 1 96 96 ASN CA C 96 54.500 54.500 51.271 3.229 19452 2009 1 4 . 1 1 96 96 ASN CB C 96 36.900 36.900 38.047 -1.147 19452 2010 1 4 . 1 1 96 96 ASN H H 96 10.190 10.190 7.653 2.537 19452 2011 1 4 . 1 1 97 97 GLY C C 97 173.700 173.700 173.648 0.052 19452 2012 1 4 . 1 1 97 97 GLY CA C 97 46.000 46.000 45.178 0.822 19452 2013 1 4 . 1 1 98 98 LYS N N 98 120.300 120.300 123.650 -3.350 19452 2014 1 4 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.660 0.080 19452 2015 1 4 . 1 1 98 98 LYS C C 98 175.500 175.500 175.140 0.360 19452 2016 1 4 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.941 -1.241 19452 2017 1 4 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.576 -2.376 19452 2018 1 4 . 1 1 98 98 LYS H H 98 7.840 7.840 8.118 -0.278 19452 2019 1 4 . 1 1 99 99 LYS N N 99 124.900 124.900 123.948 0.952 19452 2020 1 4 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.094 -1.484 19452 2021 1 4 . 1 1 99 99 LYS C C 99 176.300 176.300 174.661 1.639 19452 2022 1 4 . 1 1 99 99 LYS CA C 99 56.600 56.600 54.868 1.732 19452 2023 1 4 . 1 1 99 99 LYS CB C 99 31.500 31.500 35.245 -3.745 19452 2024 1 4 . 1 1 99 99 LYS H H 99 8.880 8.880 8.871 0.009 19452 2025 1 4 . 1 1 100 100 LEU N N 100 128.800 128.800 126.203 2.597 19452 2026 1 4 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.652 -0.212 19452 2027 1 4 . 1 1 100 100 LEU C C 100 177.400 177.400 175.422 1.978 19452 2028 1 4 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.754 1.546 19452 2029 1 4 . 1 1 100 100 LEU CB C 100 44.100 44.100 44.497 -0.397 19452 2030 1 4 . 1 1 100 100 LEU H H 100 9.320 9.320 8.722 0.598 19452 2031 1 4 . 1 1 101 101 SER N N 101 109.000 109.000 116.760 -7.760 19452 2032 1 4 . 1 1 101 101 SER HA H 101 4.550 4.550 5.058 -0.508 19452 2033 1 4 . 1 1 101 101 SER C C 101 172.400 172.400 173.360 -0.960 19452 2034 1 4 . 1 1 101 101 SER CA C 101 57.200 57.200 57.871 -0.671 19452 2035 1 4 . 1 1 101 101 SER CB C 101 64.400 64.400 64.574 -0.174 19452 2036 1 4 . 1 1 101 101 SER H H 101 7.260 7.260 8.338 -1.078 19452 2037 1 4 . 1 1 102 102 GLN N N 102 119.900 119.900 123.296 -3.396 19452 2038 1 4 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.177 0.043 19452 2039 1 4 . 1 1 102 102 GLN C C 102 173.800 173.800 174.790 -0.990 19452 2040 1 4 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.898 0.502 19452 2041 1 4 . 1 1 102 102 GLN CB C 102 31.800 31.800 33.184 -1.384 19452 2042 1 4 . 1 1 102 102 GLN H H 102 8.230 8.230 8.934 -0.704 19452 2043 1 4 . 1 1 103 103 VAL N N 103 123.800 123.800 120.252 3.548 19452 2044 1 4 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.327 0.003 19452 2045 1 4 . 1 1 103 103 VAL C C 103 174.600 174.600 175.296 -0.696 19452 2046 1 4 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.583 -0.883 19452 2047 1 4 . 1 1 103 103 VAL CB C 103 34.600 34.600 34.793 -0.193 19452 2048 1 4 . 1 1 103 103 VAL H H 103 9.310 9.310 8.981 0.329 19452 2049 1 4 . 1 1 104 104 ILE N N 104 129.400 129.400 127.703 1.697 19452 2050 1 4 . 1 1 104 104 ILE C C 104 176.400 176.400 175.620 0.780 19452 2051 1 4 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.229 -0.729 19452 2052 1 4 . 1 1 104 104 ILE CB C 104 38.700 38.700 36.781 1.919 19452 2053 1 4 . 1 1 104 104 ILE H H 104 8.970 8.970 9.056 -0.086 19452 2054 1 4 . 1 1 105 105 GLY N N 105 115.400 115.400 103.148 12.252 19452 2055 1 4 . 1 1 105 105 GLY C C 105 172.700 172.700 173.908 -1.208 19452 2056 1 4 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.599 -1.899 19452 2057 1 4 . 1 1 105 105 GLY H H 105 8.500 8.500 8.529 -0.029 19452 2058 1 4 . 1 1 106 106 ALA N N 106 120.200 120.200 122.514 -2.314 19452 2059 1 4 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.670 -0.290 19452 2060 1 4 . 1 1 106 106 ALA C C 106 176.300 176.300 176.098 0.202 19452 2061 1 4 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.491 0.009 19452 2062 1 4 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.568 -4.168 19452 2063 1 4 . 1 1 106 106 ALA H H 106 8.360 8.360 7.830 0.530 19452 2064 1 4 . 1 1 107 107 ASP N N 107 121.100 121.100 123.634 -2.534 19452 2065 1 4 . 1 1 107 107 ASP HA H 107 4.770 4.770 4.965 -0.195 19452 2066 1 4 . 1 1 107 107 ASP C C 107 176.600 176.600 175.585 1.015 19452 2067 1 4 . 1 1 107 107 ASP CA C 107 52.600 52.600 54.419 -1.819 19452 2068 1 4 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.189 -0.589 19452 2069 1 4 . 1 1 107 107 ASP H H 107 7.610 7.610 8.684 -1.074 19452 2070 1 4 . 1 1 108 108 ILE N N 108 125.700 125.700 121.621 4.079 19452 2071 1 4 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.456 -0.446 19452 2072 1 4 . 1 1 108 108 ILE C C 108 176.400 176.400 176.037 0.363 19452 2073 1 4 . 1 1 108 108 ILE CA C 108 60.700 60.700 60.778 -0.078 19452 2074 1 4 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.070 0.230 19452 2075 1 4 . 1 1 108 108 ILE H H 108 8.550 8.550 8.331 0.219 19452 2076 1 4 . 1 1 109 109 SER N N 109 117.700 117.700 110.632 7.068 19452 2077 1 4 . 1 1 109 109 SER HA H 109 4.180 4.180 4.539 -0.359 19452 2078 1 4 . 1 1 109 109 SER C C 109 177.300 177.300 171.899 5.401 19452 2079 1 4 . 1 1 109 109 SER CA C 109 61.700 61.700 58.023 3.677 19452 2080 1 4 . 1 1 109 109 SER CB C 109 62.100 62.100 65.620 -3.520 19452 2081 1 4 . 1 1 109 109 SER H H 109 8.330 8.330 7.489 0.841 19452 2082 1 4 . 1 1 110 110 LYS N N 110 123.200 123.200 120.450 2.750 19452 2083 1 4 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.944 -0.724 19452 2084 1 4 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.148 2.952 19452 2085 1 4 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.708 -2.408 19452 2086 1 4 . 1 1 110 110 LYS H H 110 7.480 7.480 8.627 -1.147 19452 2087 1 4 . 1 1 111 111 ILE N N 111 119.300 119.300 125.127 -5.827 19452 2088 1 4 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.478 -0.448 19452 2089 1 4 . 1 1 111 111 ILE C C 111 177.200 177.200 174.650 2.550 19452 2090 1 4 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.214 0.886 19452 2091 1 4 . 1 1 111 111 ILE CB C 111 37.800 37.800 40.277 -2.477 19452 2092 1 4 . 1 1 111 111 ILE H H 111 7.640 7.640 8.225 -0.585 19452 2093 1 4 . 1 1 112 112 ILE N N 112 118.700 118.700 125.463 -6.763 19452 2094 1 4 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.425 -0.995 19452 2095 1 4 . 1 1 112 112 ILE C C 112 177.700 177.700 176.043 1.657 19452 2096 1 4 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.939 5.161 19452 2097 1 4 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.758 -0.258 19452 2098 1 4 . 1 1 112 112 ILE H H 112 8.410 8.410 8.506 -0.096 19452 2099 1 4 . 1 1 113 113 SER N N 113 113.800 113.800 122.849 -9.049 19452 2100 1 4 . 1 1 113 113 SER HA H 113 4.200 4.200 4.418 -0.218 19452 2101 1 4 . 1 1 113 113 SER C C 113 177.200 177.200 172.875 4.325 19452 2102 1 4 . 1 1 113 113 SER CA C 113 62.000 62.000 57.710 4.290 19452 2103 1 4 . 1 1 113 113 SER H H 113 7.920 7.920 8.575 -0.655 19452 2104 1 4 . 1 1 114 114 GLU N N 114 119.400 119.400 122.009 -2.609 19452 2105 1 4 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.691 -0.541 19452 2106 1 4 . 1 1 114 114 GLU C C 114 179.900 179.900 175.103 4.797 19452 2107 1 4 . 1 1 114 114 GLU CA C 114 58.500 58.500 56.100 2.400 19452 2108 1 4 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.328 -3.028 19452 2109 1 4 . 1 1 114 114 GLU H H 114 8.010 8.010 8.490 -0.480 19452 2110 1 4 . 1 1 115 115 ILE N N 115 121.700 121.700 123.691 -1.991 19452 2111 1 4 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.297 -0.917 19452 2112 1 4 . 1 1 115 115 ILE C C 115 178.100 178.100 175.941 2.159 19452 2113 1 4 . 1 1 115 115 ILE CA C 115 66.000 66.000 60.489 5.511 19452 2114 1 4 . 1 1 115 115 ILE CB C 115 37.700 37.700 39.792 -2.092 19452 2115 1 4 . 1 1 115 115 ILE H H 115 8.370 8.370 7.858 0.512 19452 2116 1 4 . 1 1 116 116 ASN N N 116 116.100 116.100 124.980 -8.880 19452 2117 1 4 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.425 -0.095 19452 2118 1 4 . 1 1 116 116 ASN C C 116 177.900 177.900 175.917 1.983 19452 2119 1 4 . 1 1 116 116 ASN CA C 116 55.900 55.900 54.755 1.145 19452 2120 1 4 . 1 1 116 116 ASN CB C 116 37.600 37.600 39.051 -1.451 19452 2121 1 4 . 1 1 116 116 ASN H H 116 8.230 8.230 8.817 -0.587 19452 2122 1 4 . 1 1 117 117 ASN N N 117 115.400 115.400 117.049 -1.649 19452 2123 1 4 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.409 0.221 19452 2124 1 4 . 1 1 117 117 ASN C C 117 176.200 176.200 177.427 -1.227 19452 2125 1 4 . 1 1 117 117 ASN CA C 117 54.300 54.300 56.181 -1.881 19452 2126 1 4 . 1 1 117 117 ASN CB C 117 39.100 39.100 38.165 0.935 19452 2127 1 4 . 1 1 117 117 ASN H H 117 7.930 7.930 8.322 -0.392 19452 2128 1 4 . 1 1 118 118 ASN N N 118 115.400 115.400 121.311 -5.911 19452 2129 1 4 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.623 0.387 19452 2130 1 4 . 1 1 118 118 ASN C C 118 174.400 174.400 177.195 -2.795 19452 2131 1 4 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.094 -0.894 19452 2132 1 4 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.311 3.889 19452 2133 1 4 . 1 1 118 118 ASN H H 118 7.710 7.710 7.712 -0.002 19452 2134 1 4 . 1 1 119 119 ILE N N 119 117.300 117.300 118.071 -0.771 19452 2135 1 4 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.768 0.552 19452 2136 1 4 . 1 1 119 119 ILE C C 119 174.900 174.900 177.728 -2.828 19452 2137 1 4 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.931 -2.731 19452 2138 1 4 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.505 1.695 19452 2139 1 4 . 1 1 119 119 ILE H H 119 7.520 7.520 8.006 -0.486 19452 2140 1 4 . 1 1 120 120 ASN N N 120 124.900 124.900 114.577 10.323 19452 2141 1 4 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.542 -0.032 19452 2142 1 4 . 1 1 120 120 ASN CA C 120 55.000 55.000 55.974 -0.974 19452 2143 1 4 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.846 2.354 19452 2144 1 4 . 1 1 120 120 ASN H H 120 7.960 7.960 8.060 -0.100 19452 2145 1 5 . 1 1 2 2 GLY N N 2 109.900 109.900 109.783 0.117 19452 2146 1 5 . 1 1 2 2 GLY C C 2 174.400 174.400 175.071 -0.671 19452 2147 1 5 . 1 1 2 2 GLY CA C 2 45.600 45.600 45.592 0.008 19452 2148 1 5 . 1 1 2 2 GLY H H 2 8.480 8.480 8.543 -0.063 19452 2149 1 5 . 1 1 3 3 THR N N 3 113.700 113.700 111.838 1.862 19452 2150 1 5 . 1 1 3 3 THR C C 3 174.900 174.900 173.336 1.564 19452 2151 1 5 . 1 1 3 3 THR CA C 3 62.400 62.400 61.440 0.960 19452 2152 1 5 . 1 1 3 3 THR CB C 3 70.000 70.000 70.147 -0.147 19452 2153 1 5 . 1 1 3 3 THR H H 3 8.090 8.090 7.731 0.359 19452 2154 1 5 . 1 1 4 4 LEU N N 4 124.100 124.100 122.406 1.694 19452 2155 1 5 . 1 1 4 4 LEU C C 4 177.600 177.600 175.594 2.006 19452 2156 1 5 . 1 1 4 4 LEU CA C 4 55.700 55.700 53.086 2.614 19452 2157 1 5 . 1 1 4 4 LEU CB C 4 42.300 42.300 41.581 0.719 19452 2158 1 5 . 1 1 4 4 LEU H H 4 8.400 8.400 7.832 0.568 19452 2159 1 5 . 1 1 5 5 GLU N N 5 121.600 121.600 120.896 0.704 19452 2160 1 5 . 1 1 5 5 GLU C C 5 176.500 176.500 176.168 0.332 19452 2161 1 5 . 1 1 5 5 GLU CA C 5 57.000 57.000 55.332 1.668 19452 2162 1 5 . 1 1 5 5 GLU CB C 5 29.900 29.900 31.872 -1.972 19452 2163 1 5 . 1 1 5 5 GLU H H 5 8.430 8.430 8.063 0.367 19452 2164 1 5 . 1 1 6 6 ALA N N 6 124.500 124.500 120.292 4.208 19452 2165 1 5 . 1 1 6 6 ALA C C 6 177.900 177.900 175.894 2.006 19452 2166 1 5 . 1 1 6 6 ALA CA C 6 52.900 52.900 52.361 0.539 19452 2167 1 5 . 1 1 6 6 ALA CB C 6 19.200 19.200 16.962 2.238 19452 2168 1 5 . 1 1 6 6 ALA H H 6 8.330 8.330 8.184 0.146 19452 2169 1 5 . 1 1 7 7 GLN N N 7 119.200 119.200 119.091 0.109 19452 2170 1 5 . 1 1 7 7 GLN C C 7 176.400 176.400 176.221 0.179 19452 2171 1 5 . 1 1 7 7 GLN CA C 7 56.000 56.000 55.852 0.148 19452 2172 1 5 . 1 1 7 7 GLN CB C 7 29.200 29.200 29.023 0.176 19452 2173 1 5 . 1 1 7 7 GLN H H 7 8.400 8.400 8.066 0.334 19452 2174 1 5 . 1 1 8 8 THR N N 8 115.100 115.100 120.023 -4.923 19452 2175 1 5 . 1 1 8 8 THR C C 8 174.500 174.500 175.936 -1.436 19452 2176 1 5 . 1 1 8 8 THR CA C 8 62.300 62.300 61.120 1.181 19452 2177 1 5 . 1 1 8 8 THR CB C 8 70.000 70.000 70.392 -0.392 19452 2178 1 5 . 1 1 8 8 THR H H 8 8.210 8.210 8.582 -0.372 19452 2179 1 5 . 1 1 9 9 GLN N N 9 122.300 122.300 121.313 0.987 19452 2180 1 5 . 1 1 9 9 GLN C C 9 176.100 176.100 176.072 0.028 19452 2181 1 5 . 1 1 9 9 GLN CA C 9 55.900 55.900 57.535 -1.635 19452 2182 1 5 . 1 1 9 9 GLN CB C 9 29.500 29.500 29.053 0.447 19452 2183 1 5 . 1 1 9 9 GLN H H 9 8.470 8.470 8.917 -0.447 19452 2184 1 5 . 1 1 10 10 GLY N N 10 110.300 110.300 107.183 3.117 19452 2185 1 5 . 1 1 10 10 GLY CA C 10 44.400 44.400 45.062 -0.662 19452 2186 1 5 . 1 1 10 10 GLY H H 10 8.360 8.360 7.833 0.527 19452 2187 1 5 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.664 -0.224 19452 2188 1 5 . 1 1 11 11 PRO C C 11 177.800 177.800 177.113 0.687 19452 2189 1 5 . 1 1 11 11 PRO CA C 11 63.300 63.300 61.964 1.337 19452 2190 1 5 . 1 1 11 11 PRO CB C 11 32.000 32.000 33.438 -1.438 19452 2191 1 5 . 1 1 12 12 GLY N N 12 109.600 109.600 110.070 -0.470 19452 2192 1 5 . 1 1 12 12 GLY CA C 12 44.900 44.900 45.388 -0.488 19452 2193 1 5 . 1 1 12 12 GLY H H 12 8.600 8.600 8.654 -0.054 19452 2194 1 5 . 1 1 13 13 SER N N 13 114.700 114.700 117.976 -3.276 19452 2195 1 5 . 1 1 13 13 SER HA H 13 4.510 4.510 4.696 -0.186 19452 2196 1 5 . 1 1 13 13 SER C C 13 175.300 175.300 173.601 1.699 19452 2197 1 5 . 1 1 13 13 SER CA C 13 57.800 57.800 57.043 0.757 19452 2198 1 5 . 1 1 13 13 SER CB C 13 62.300 62.300 65.970 -3.670 19452 2199 1 5 . 1 1 13 13 SER H H 13 8.130 8.130 7.978 0.152 19452 2200 1 5 . 1 1 14 14 MET N N 14 124.300 124.300 119.541 4.759 19452 2201 1 5 . 1 1 14 14 MET HA H 14 4.470 4.470 4.524 -0.054 19452 2202 1 5 . 1 1 14 14 MET CA C 14 55.700 55.700 55.407 0.292 19452 2203 1 5 . 1 1 14 14 MET CB C 14 32.700 32.700 33.123 -0.423 19452 2204 1 5 . 1 1 14 14 MET H H 14 9.430 9.430 8.468 0.962 19452 2205 1 5 . 1 1 15 15 ILE N N 15 122.600 122.600 121.319 1.281 19452 2206 1 5 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.067 -0.057 19452 2207 1 5 . 1 1 15 15 ILE C C 15 175.300 175.300 175.260 0.040 19452 2208 1 5 . 1 1 15 15 ILE CA C 15 60.700 60.700 61.903 -1.203 19452 2209 1 5 . 1 1 15 15 ILE CB C 15 37.500 37.500 36.246 1.254 19452 2210 1 5 . 1 1 15 15 ILE H H 15 8.520 8.520 8.437 0.083 19452 2211 1 5 . 1 1 16 16 GLU N N 16 129.300 129.300 120.104 9.196 19452 2212 1 5 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.578 -0.208 19452 2213 1 5 . 1 1 16 16 GLU C C 16 175.500 175.500 176.072 -0.572 19452 2214 1 5 . 1 1 16 16 GLU CA C 16 56.100 56.100 56.005 0.095 19452 2215 1 5 . 1 1 16 16 GLU CB C 16 31.400 31.400 30.616 0.783 19452 2216 1 5 . 1 1 16 16 GLU H H 16 8.220 8.220 8.172 0.048 19452 2217 1 5 . 1 1 17 17 GLN N N 17 124.500 124.500 124.021 0.479 19452 2218 1 5 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.585 0.535 19452 2219 1 5 . 1 1 17 17 GLN C C 17 176.000 176.000 175.435 0.565 19452 2220 1 5 . 1 1 17 17 GLN CA C 17 55.200 55.200 55.808 -0.608 19452 2221 1 5 . 1 1 17 17 GLN CB C 17 30.400 30.400 30.482 -0.082 19452 2222 1 5 . 1 1 17 17 GLN H H 17 8.810 8.810 8.553 0.257 19452 2223 1 5 . 1 1 18 18 ILE N N 18 118.700 118.700 122.295 -3.595 19452 2224 1 5 . 1 1 18 18 ILE C C 18 174.400 174.400 174.086 0.314 19452 2225 1 5 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.041 -1.441 19452 2226 1 5 . 1 1 18 18 ILE H H 18 8.840 8.840 8.486 0.354 19452 2227 1 5 . 1 1 19 19 GLY C C 19 174.800 174.800 174.829 -0.029 19452 2228 1 5 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.547 -1.447 19452 2229 1 5 . 1 1 20 20 ASP N N 20 119.100 119.100 119.158 -0.058 19452 2230 1 5 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.609 -0.019 19452 2231 1 5 . 1 1 20 20 ASP C C 20 179.900 179.900 176.277 3.623 19452 2232 1 5 . 1 1 20 20 ASP CA C 20 58.000 58.000 54.706 3.294 19452 2233 1 5 . 1 1 20 20 ASP H H 20 8.090 8.090 8.759 -0.669 19452 2234 1 5 . 1 1 21 21 SER N N 21 112.000 112.000 114.876 -2.876 19452 2235 1 5 . 1 1 21 21 SER HA H 21 4.320 4.320 4.915 -0.595 19452 2236 1 5 . 1 1 21 21 SER CA C 21 60.700 60.700 57.587 3.113 19452 2237 1 5 . 1 1 21 21 SER CB C 21 62.500 62.500 65.447 -2.947 19452 2238 1 5 . 1 1 21 21 SER H H 21 8.750 8.750 7.823 0.927 19452 2239 1 5 . 1 1 22 22 GLU N N 22 119.000 119.000 121.184 -2.184 19452 2240 1 5 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.443 0.137 19452 2241 1 5 . 1 1 22 22 GLU C C 22 176.000 176.000 177.059 -1.059 19452 2242 1 5 . 1 1 22 22 GLU CA C 22 56.200 56.200 57.203 -1.003 19452 2243 1 5 . 1 1 22 22 GLU CB C 22 31.600 31.600 30.718 0.882 19452 2244 1 5 . 1 1 22 22 GLU H H 22 7.660 7.660 9.069 -1.409 19452 2245 1 5 . 1 1 23 23 PHE N N 23 120.900 120.900 120.142 0.758 19452 2246 1 5 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.414 -0.844 19452 2247 1 5 . 1 1 23 23 PHE C C 23 176.500 176.500 175.364 1.136 19452 2248 1 5 . 1 1 23 23 PHE CA C 23 63.100 63.100 58.078 5.022 19452 2249 1 5 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.377 1.323 19452 2250 1 5 . 1 1 23 23 PHE H H 23 7.490 7.490 7.860 -0.370 19452 2251 1 5 . 1 1 24 24 ASP N N 24 118.500 118.500 126.638 -8.138 19452 2252 1 5 . 1 1 24 24 ASP HA H 24 4.630 4.630 4.993 -0.363 19452 2253 1 5 . 1 1 24 24 ASP C C 24 178.400 178.400 174.832 3.568 19452 2254 1 5 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.216 4.484 19452 2255 1 5 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.830 -3.630 19452 2256 1 5 . 1 1 24 24 ASP H H 24 8.900 8.900 8.850 0.050 19452 2257 1 5 . 1 1 25 25 ASN N N 25 117.200 117.200 119.950 -2.750 19452 2258 1 5 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.935 -0.735 19452 2259 1 5 . 1 1 25 25 ASN C C 25 176.400 176.400 175.464 0.936 19452 2260 1 5 . 1 1 25 25 ASN CA C 25 56.000 56.000 53.033 2.967 19452 2261 1 5 . 1 1 25 25 ASN CB C 25 39.000 39.000 40.127 -1.127 19452 2262 1 5 . 1 1 26 26 LYS N N 26 112.800 112.800 117.345 -4.545 19452 2263 1 5 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.696 -0.696 19452 2264 1 5 . 1 1 26 26 LYS C C 26 175.500 175.500 174.670 0.830 19452 2265 1 5 . 1 1 26 26 LYS CA C 26 56.300 56.300 53.931 2.369 19452 2266 1 5 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.738 -2.738 19452 2267 1 5 . 1 1 26 26 LYS H H 26 7.730 7.730 8.695 -0.965 19452 2268 1 5 . 1 1 27 27 VAL N N 27 114.500 114.500 117.103 -2.603 19452 2269 1 5 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.440 -0.400 19452 2270 1 5 . 1 1 27 27 VAL C C 27 177.900 177.900 175.318 2.582 19452 2271 1 5 . 1 1 27 27 VAL CA C 27 63.700 63.700 60.784 2.916 19452 2272 1 5 . 1 1 27 27 VAL H H 27 7.680 7.680 8.200 -0.520 19452 2273 1 5 . 1 1 28 28 THR N N 28 110.000 110.000 113.513 -3.513 19452 2274 1 5 . 1 1 28 28 THR HA H 28 3.710 3.710 3.997 -0.287 19452 2275 1 5 . 1 1 28 28 THR C C 28 175.800 175.800 175.905 -0.105 19452 2276 1 5 . 1 1 28 28 THR CA C 28 65.200 65.200 64.638 0.562 19452 2277 1 5 . 1 1 28 28 THR CB C 28 68.100 68.100 68.495 -0.395 19452 2278 1 5 . 1 1 28 28 THR H H 28 7.010 7.010 8.489 -1.479 19452 2279 1 5 . 1 1 29 29 SER N N 29 113.600 113.600 113.915 -0.315 19452 2280 1 5 . 1 1 29 29 SER HA H 29 4.480 4.480 4.326 0.154 19452 2281 1 5 . 1 1 29 29 SER C C 29 174.200 174.200 175.351 -1.151 19452 2282 1 5 . 1 1 29 29 SER CA C 29 58.500 58.500 60.297 -1.797 19452 2283 1 5 . 1 1 29 29 SER CB C 29 63.300 63.300 63.269 0.031 19452 2284 1 5 . 1 1 29 29 SER H H 29 8.350 8.350 8.166 0.184 19452 2285 1 5 . 1 1 30 30 CYS N N 30 120.000 120.000 117.963 2.037 19452 2286 1 5 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.611 -0.491 19452 2287 1 5 . 1 1 30 30 CYS C C 30 174.200 174.200 175.645 -1.445 19452 2288 1 5 . 1 1 30 30 CYS CA C 30 69.700 69.700 58.347 11.353 19452 2289 1 5 . 1 1 30 30 CYS CB C 30 27.800 27.800 27.139 0.661 19452 2290 1 5 . 1 1 30 30 CYS H H 30 6.810 6.810 7.417 -0.607 19452 2291 1 5 . 1 1 31 31 ASN N N 31 124.300 124.300 121.330 2.970 19452 2292 1 5 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.198 0.912 19452 2293 1 5 . 1 1 31 31 ASN C C 31 174.900 174.900 176.045 -1.145 19452 2294 1 5 . 1 1 31 31 ASN CA C 31 52.400 52.400 57.138 -4.738 19452 2295 1 5 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.386 0.114 19452 2296 1 5 . 1 1 31 31 ASN H H 31 8.760 8.760 7.918 0.842 19452 2297 1 5 . 1 1 32 32 ASP N N 32 119.000 119.000 116.756 2.244 19452 2298 1 5 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.792 0.768 19452 2299 1 5 . 1 1 32 32 ASP C C 32 176.600 176.600 177.929 -1.329 19452 2300 1 5 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.575 -3.075 19452 2301 1 5 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.304 2.696 19452 2302 1 5 . 1 1 32 32 ASP H H 32 7.720 7.720 8.711 -0.991 19452 2303 1 5 . 1 1 33 33 ASN N N 33 115.400 115.400 117.258 -1.858 19452 2304 1 5 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.350 -0.180 19452 2305 1 5 . 1 1 33 33 ASN C C 33 173.700 173.700 176.087 -2.387 19452 2306 1 5 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.919 -1.619 19452 2307 1 5 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.712 -0.912 19452 2308 1 5 . 1 1 33 33 ASN H H 33 9.750 9.750 8.208 1.542 19452 2309 1 5 . 1 1 34 34 ILE N N 34 120.700 120.700 114.266 6.434 19452 2310 1 5 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.231 -0.211 19452 2311 1 5 . 1 1 34 34 ILE C C 34 175.500 175.500 176.441 -0.941 19452 2312 1 5 . 1 1 34 34 ILE CA C 34 59.400 59.400 61.781 -2.381 19452 2313 1 5 . 1 1 34 34 ILE CB C 34 37.500 37.500 38.906 -1.406 19452 2314 1 5 . 1 1 34 34 ILE H H 34 7.850 7.850 7.577 0.273 19452 2315 1 5 . 1 1 35 35 LEU N N 35 128.400 128.400 120.958 7.442 19452 2316 1 5 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.088 0.582 19452 2317 1 5 . 1 1 35 35 LEU C C 35 173.700 173.700 178.724 -5.024 19452 2318 1 5 . 1 1 35 35 LEU CA C 35 54.900 54.900 57.327 -2.427 19452 2319 1 5 . 1 1 35 35 LEU CB C 35 42.400 42.400 42.124 0.276 19452 2320 1 5 . 1 1 35 35 LEU H H 35 8.100 8.100 7.896 0.204 19452 2321 1 5 . 1 1 36 36 ILE N N 36 128.800 128.800 121.267 7.533 19452 2322 1 5 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.797 1.253 19452 2323 1 5 . 1 1 36 36 ILE C C 36 175.800 175.800 177.441 -1.641 19452 2324 1 5 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.643 -4.843 19452 2325 1 5 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.095 2.805 19452 2326 1 5 . 1 1 36 36 ILE H H 36 9.320 9.320 7.565 1.755 19452 2327 1 5 . 1 1 37 37 LEU N N 37 129.600 129.600 120.857 8.743 19452 2328 1 5 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.172 1.098 19452 2329 1 5 . 1 1 37 37 LEU C C 37 175.500 175.500 176.885 -1.385 19452 2330 1 5 . 1 1 37 37 LEU CA C 37 54.000 54.000 56.012 -2.012 19452 2331 1 5 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.140 2.660 19452 2332 1 5 . 1 1 37 37 LEU H H 37 9.400 9.400 7.603 1.797 19452 2333 1 5 . 1 1 38 38 VAL N N 38 120.100 120.100 123.439 -3.339 19452 2334 1 5 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.899 0.691 19452 2335 1 5 . 1 1 38 38 VAL C C 38 174.000 174.000 175.222 -1.222 19452 2336 1 5 . 1 1 38 38 VAL CA C 38 61.100 61.100 64.554 -3.454 19452 2337 1 5 . 1 1 38 38 VAL CB C 38 33.500 33.500 31.563 1.937 19452 2338 1 5 . 1 1 38 38 VAL H H 38 9.440 9.440 7.497 1.943 19452 2339 1 5 . 1 1 39 39 ASP N N 39 125.600 125.600 125.936 -0.336 19452 2340 1 5 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.754 0.416 19452 2341 1 5 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.469 -2.569 19452 2342 1 5 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.243 -2.443 19452 2343 1 5 . 1 1 39 39 ASP H H 39 9.240 9.240 8.444 0.796 19452 2344 1 5 . 1 1 40 40 PHE N N 40 119.600 119.600 119.158 0.442 19452 2345 1 5 . 1 1 40 40 PHE H H 40 8.860 8.860 7.970 0.890 19452 2346 1 5 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.808 -0.398 19452 2347 1 5 . 1 1 53 53 PRO CA C 53 65.500 65.500 62.392 3.108 19452 2348 1 5 . 1 1 53 53 PRO CB C 53 30.800 30.800 31.395 -0.595 19452 2349 1 5 . 1 1 54 54 GLN N N 54 115.300 115.300 123.454 -8.154 19452 2350 1 5 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.355 -0.155 19452 2351 1 5 . 1 1 54 54 GLN C C 54 179.400 179.400 174.227 5.173 19452 2352 1 5 . 1 1 54 54 GLN CA C 54 58.000 58.000 56.775 1.226 19452 2353 1 5 . 1 1 54 54 GLN H H 54 7.080 7.080 8.187 -1.107 19452 2354 1 5 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.525 -0.535 19452 2355 1 5 . 1 1 55 55 LEU C C 55 178.700 178.700 176.672 2.028 19452 2356 1 5 . 1 1 55 55 LEU CA C 55 57.300 57.300 55.385 1.915 19452 2357 1 5 . 1 1 55 55 LEU CB C 55 41.300 41.300 41.984 -0.684 19452 2358 1 5 . 1 1 56 56 GLU N N 56 118.900 118.900 119.156 -0.256 19452 2359 1 5 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.290 -0.450 19452 2360 1 5 . 1 1 56 56 GLU C C 56 179.100 179.100 178.264 0.836 19452 2361 1 5 . 1 1 56 56 GLU CA C 56 59.500 59.500 56.406 3.094 19452 2362 1 5 . 1 1 56 56 GLU CB C 56 29.000 29.000 30.309 -1.309 19452 2363 1 5 . 1 1 56 56 GLU H H 56 8.150 8.150 8.236 -0.086 19452 2364 1 5 . 1 1 57 57 LYS N N 57 117.000 117.000 119.872 -2.872 19452 2365 1 5 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.298 -0.228 19452 2366 1 5 . 1 1 57 57 LYS C C 57 179.800 179.800 176.739 3.061 19452 2367 1 5 . 1 1 57 57 LYS CA C 57 59.000 59.000 57.630 1.370 19452 2368 1 5 . 1 1 57 57 LYS CB C 57 31.900 31.900 32.352 -0.452 19452 2369 1 5 . 1 1 57 57 LYS H H 57 7.160 7.160 8.519 -1.359 19452 2370 1 5 . 1 1 58 58 LEU N N 58 119.900 119.900 123.293 -3.393 19452 2371 1 5 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.392 -0.192 19452 2372 1 5 . 1 1 58 58 LEU C C 58 178.700 178.700 175.759 2.941 19452 2373 1 5 . 1 1 58 58 LEU CA C 58 57.700 57.700 54.689 3.011 19452 2374 1 5 . 1 1 58 58 LEU CB C 58 41.700 41.700 40.860 0.840 19452 2375 1 5 . 1 1 58 58 LEU H H 58 7.650 7.650 8.174 -0.524 19452 2376 1 5 . 1 1 59 59 ALA N N 59 120.700 120.700 122.136 -1.436 19452 2377 1 5 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.859 -0.999 19452 2378 1 5 . 1 1 59 59 ALA C C 59 180.000 180.000 176.518 3.482 19452 2379 1 5 . 1 1 59 59 ALA CA C 59 54.600 54.600 50.810 3.790 19452 2380 1 5 . 1 1 59 59 ALA CB C 59 18.000 18.000 21.078 -3.078 19452 2381 1 5 . 1 1 59 59 ALA H H 59 8.440 8.440 7.833 0.607 19452 2382 1 5 . 1 1 60 60 GLN N N 60 113.100 113.100 115.863 -2.763 19452 2383 1 5 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.683 -0.623 19452 2384 1 5 . 1 1 60 60 GLN C C 60 177.800 177.800 173.971 3.829 19452 2385 1 5 . 1 1 60 60 GLN CA C 60 57.500 57.500 54.865 2.635 19452 2386 1 5 . 1 1 60 60 GLN CB C 60 28.800 28.800 28.174 0.626 19452 2387 1 5 . 1 1 60 60 GLN H H 60 7.340 7.340 8.805 -1.465 19452 2388 1 5 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.332 -0.302 19452 2389 1 5 . 1 1 61 61 GLN C C 61 177.300 177.300 176.606 0.694 19452 2390 1 5 . 1 1 61 61 GLN CA C 61 57.800 57.800 56.941 0.859 19452 2391 1 5 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.252 -0.252 19452 2392 1 5 . 1 1 62 62 TYR N N 62 117.300 117.300 118.932 -1.632 19452 2393 1 5 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.302 0.678 19452 2394 1 5 . 1 1 62 62 TYR C C 62 175.800 175.800 178.325 -2.525 19452 2395 1 5 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.409 -4.309 19452 2396 1 5 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.749 0.151 19452 2397 1 5 . 1 1 62 62 TYR H H 62 7.950 7.950 8.741 -0.791 19452 2398 1 5 . 1 1 63 63 THR N N 63 111.900 111.900 112.440 -0.540 19452 2399 1 5 . 1 1 63 63 THR HA H 63 4.190 4.190 4.058 0.132 19452 2400 1 5 . 1 1 63 63 THR C C 63 175.700 175.700 176.932 -1.232 19452 2401 1 5 . 1 1 63 63 THR CA C 63 64.600 64.600 65.614 -1.014 19452 2402 1 5 . 1 1 63 63 THR CB C 63 69.200 69.200 67.926 1.274 19452 2403 1 5 . 1 1 63 63 THR H H 63 7.110 7.110 7.628 -0.518 19452 2404 1 5 . 1 1 64 64 GLU N N 64 117.500 117.500 118.651 -1.151 19452 2405 1 5 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.976 0.324 19452 2406 1 5 . 1 1 64 64 GLU C C 64 177.400 177.400 178.999 -1.599 19452 2407 1 5 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.360 -1.360 19452 2408 1 5 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.155 0.945 19452 2409 1 5 . 1 1 64 64 GLU H H 64 8.610 8.610 7.786 0.824 19452 2410 1 5 . 1 1 65 65 ASN N N 65 113.300 113.300 118.520 -5.220 19452 2411 1 5 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.459 0.531 19452 2412 1 5 . 1 1 65 65 ASN C C 65 173.600 173.600 178.292 -4.692 19452 2413 1 5 . 1 1 65 65 ASN CA C 65 54.000 54.000 55.545 -1.545 19452 2414 1 5 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.239 2.861 19452 2415 1 5 . 1 1 65 65 ASN H H 65 8.050 8.050 8.148 -0.098 19452 2416 1 5 . 1 1 66 66 VAL N N 66 119.200 119.200 117.487 1.713 19452 2417 1 5 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.895 1.645 19452 2418 1 5 . 1 1 66 66 VAL C C 66 174.900 174.900 178.120 -3.220 19452 2419 1 5 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.421 -4.521 19452 2420 1 5 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.809 4.891 19452 2421 1 5 . 1 1 66 66 VAL H H 66 7.890 7.890 8.055 -0.165 19452 2422 1 5 . 1 1 67 67 LYS N N 67 127.600 127.600 119.596 8.004 19452 2423 1 5 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.883 0.677 19452 2424 1 5 . 1 1 67 67 LYS C C 67 173.600 173.600 178.605 -5.005 19452 2425 1 5 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.401 -5.301 19452 2426 1 5 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.668 4.532 19452 2427 1 5 . 1 1 67 67 LYS H H 67 8.700 8.700 8.184 0.516 19452 2428 1 5 . 1 1 68 68 ILE N N 68 123.200 123.200 115.794 7.406 19452 2429 1 5 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.881 0.699 19452 2430 1 5 . 1 1 68 68 ILE C C 68 173.900 173.900 179.066 -5.166 19452 2431 1 5 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.432 -2.933 19452 2432 1 5 . 1 1 68 68 ILE CB C 68 38.500 38.500 38.002 0.498 19452 2433 1 5 . 1 1 68 68 ILE H H 68 8.770 8.770 7.569 1.201 19452 2434 1 5 . 1 1 69 69 TYR N N 69 124.400 124.400 118.406 5.994 19452 2435 1 5 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.200 1.460 19452 2436 1 5 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.194 -4.594 19452 2437 1 5 . 1 1 69 69 TYR CB C 69 43.400 43.400 39.063 4.337 19452 2438 1 5 . 1 1 69 69 TYR H H 69 9.060 9.060 7.632 1.428 19452 2439 1 5 . 1 1 73 73 ILE C C 73 177.400 177.400 173.785 3.615 19452 2440 1 5 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.254 1.346 19452 2441 1 5 . 1 1 74 74 GLU N N 74 121.800 121.800 118.923 2.877 19452 2442 1 5 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.821 -0.541 19452 2443 1 5 . 1 1 74 74 GLU C C 74 177.800 177.800 174.258 3.542 19452 2444 1 5 . 1 1 74 74 GLU CA C 74 58.900 58.900 55.270 3.630 19452 2445 1 5 . 1 1 74 74 GLU CB C 74 29.700 29.700 33.132 -3.432 19452 2446 1 5 . 1 1 74 74 GLU H H 74 8.560 8.560 7.777 0.783 19452 2447 1 5 . 1 1 75 75 ASP N N 75 114.200 114.200 125.088 -10.888 19452 2448 1 5 . 1 1 75 75 ASP C C 75 175.800 175.800 173.946 1.854 19452 2449 1 5 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.684 2.317 19452 2450 1 5 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.084 -2.284 19452 2451 1 5 . 1 1 75 75 ASP H H 75 6.840 6.840 8.804 -1.964 19452 2452 1 5 . 1 1 76 76 ASN N N 76 118.400 118.400 119.495 -1.095 19452 2453 1 5 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.433 -0.413 19452 2454 1 5 . 1 1 76 76 ASN C C 76 174.000 174.000 173.388 0.612 19452 2455 1 5 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.286 1.414 19452 2456 1 5 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.071 -0.471 19452 2457 1 5 . 1 1 76 76 ASN H H 76 7.600 7.600 8.192 -0.592 19452 2458 1 5 . 1 1 77 77 GLN N N 77 122.000 122.000 123.777 -1.777 19452 2459 1 5 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.940 -0.200 19452 2460 1 5 . 1 1 77 77 GLN C C 77 177.800 177.800 174.348 3.452 19452 2461 1 5 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.971 2.429 19452 2462 1 5 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.374 -2.774 19452 2463 1 5 . 1 1 77 77 GLN H H 77 9.040 9.040 9.010 0.030 19452 2464 1 5 . 1 1 78 78 ASP N N 78 125.900 125.900 118.861 7.039 19452 2465 1 5 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.883 -1.473 19452 2466 1 5 . 1 1 78 78 ASP C C 78 178.900 178.900 175.740 3.160 19452 2467 1 5 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.384 7.316 19452 2468 1 5 . 1 1 78 78 ASP CB C 78 40.000 40.000 44.977 -4.977 19452 2469 1 5 . 1 1 78 78 ASP H H 78 10.210 10.210 9.265 0.945 19452 2470 1 5 . 1 1 79 79 VAL N N 79 123.800 123.800 115.671 8.129 19452 2471 1 5 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.780 -1.290 19452 2472 1 5 . 1 1 79 79 VAL C C 79 178.400 178.400 174.734 3.666 19452 2473 1 5 . 1 1 79 79 VAL CA C 79 66.500 66.500 60.559 5.941 19452 2474 1 5 . 1 1 79 79 VAL CB C 79 30.500 30.500 32.901 -2.401 19452 2475 1 5 . 1 1 79 79 VAL H H 79 8.130 8.130 8.319 -0.189 19452 2476 1 5 . 1 1 80 80 ALA N N 80 121.800 121.800 129.999 -8.199 19452 2477 1 5 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.300 -0.790 19452 2478 1 5 . 1 1 80 80 ALA C C 80 179.600 179.600 176.248 3.352 19452 2479 1 5 . 1 1 80 80 ALA CA C 80 54.900 54.900 52.532 2.368 19452 2480 1 5 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.970 -2.670 19452 2481 1 5 . 1 1 80 80 ALA H H 80 9.250 9.250 8.017 1.233 19452 2482 1 5 . 1 1 81 81 THR N N 81 113.200 113.200 119.427 -6.227 19452 2483 1 5 . 1 1 81 81 THR HA H 81 3.960 3.960 4.747 -0.787 19452 2484 1 5 . 1 1 81 81 THR C C 81 177.700 177.700 173.497 4.203 19452 2485 1 5 . 1 1 81 81 THR CA C 81 66.400 66.400 60.858 5.542 19452 2486 1 5 . 1 1 81 81 THR CB C 81 68.500 68.500 68.978 -0.478 19452 2487 1 5 . 1 1 81 81 THR H H 81 7.990 7.990 8.347 -0.357 19452 2488 1 5 . 1 1 82 82 GLN N N 82 123.800 123.800 126.945 -3.145 19452 2489 1 5 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.211 -0.361 19452 2490 1 5 . 1 1 82 82 GLN C C 82 177.900 177.900 175.887 2.013 19452 2491 1 5 . 1 1 82 82 GLN CA C 82 58.900 58.900 57.880 1.020 19452 2492 1 5 . 1 1 82 82 GLN CB C 82 28.000 28.000 29.148 -1.148 19452 2493 1 5 . 1 1 82 82 GLN H H 82 8.170 8.170 8.784 -0.614 19452 2494 1 5 . 1 1 83 83 TYR N N 83 112.900 112.900 116.855 -3.955 19452 2495 1 5 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.615 -0.185 19452 2496 1 5 . 1 1 83 83 TYR C C 83 175.300 175.300 174.778 0.522 19452 2497 1 5 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.142 0.857 19452 2498 1 5 . 1 1 83 83 TYR CB C 83 38.500 38.500 39.681 -1.181 19452 2499 1 5 . 1 1 83 83 TYR H H 83 7.780 7.780 8.273 -0.493 19452 2500 1 5 . 1 1 84 84 GLY N N 84 110.200 110.200 107.701 2.499 19452 2501 1 5 . 1 1 84 84 GLY C C 84 175.300 175.300 172.345 2.955 19452 2502 1 5 . 1 1 84 84 GLY CA C 84 47.100 47.100 45.214 1.887 19452 2503 1 5 . 1 1 84 84 GLY H H 84 7.670 7.670 7.586 0.084 19452 2504 1 5 . 1 1 85 85 VAL N N 85 121.300 121.300 118.116 3.184 19452 2505 1 5 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.374 -0.504 19452 2506 1 5 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.867 1.133 19452 2507 1 5 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.338 -2.838 19452 2508 1 5 . 1 1 85 85 VAL H H 85 8.500 8.500 8.445 0.055 19452 2509 1 5 . 1 1 90 90 THR HA H 90 5.170 5.170 3.996 1.174 19452 2510 1 5 . 1 1 90 90 THR C C 90 172.300 172.300 176.699 -4.399 19452 2511 1 5 . 1 1 90 90 THR CA C 90 63.500 63.500 64.704 -1.204 19452 2512 1 5 . 1 1 90 90 THR CB C 90 73.300 73.300 68.509 4.791 19452 2513 1 5 . 1 1 91 91 ILE N N 91 126.600 126.600 117.310 9.290 19452 2514 1 5 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.021 1.569 19452 2515 1 5 . 1 1 91 91 ILE C C 91 175.900 175.900 176.716 -0.816 19452 2516 1 5 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.908 -3.508 19452 2517 1 5 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.091 1.909 19452 2518 1 5 . 1 1 91 91 ILE H H 91 9.340 9.340 7.710 1.630 19452 2519 1 5 . 1 1 92 92 LEU N N 92 125.700 125.700 118.540 7.160 19452 2520 1 5 . 1 1 92 92 LEU HA H 92 5.120 5.120 4.007 1.113 19452 2521 1 5 . 1 1 92 92 LEU C C 92 176.100 176.100 176.688 -0.588 19452 2522 1 5 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.922 -1.822 19452 2523 1 5 . 1 1 92 92 LEU H H 92 9.120 9.120 7.674 1.446 19452 2524 1 5 . 1 1 93 93 MET N N 93 117.700 117.700 120.112 -2.412 19452 2525 1 5 . 1 1 93 93 MET HA H 93 5.860 5.860 4.773 1.087 19452 2526 1 5 . 1 1 93 93 MET C C 93 174.400 174.400 175.258 -0.858 19452 2527 1 5 . 1 1 93 93 MET CA C 93 54.400 54.400 53.219 1.181 19452 2528 1 5 . 1 1 93 93 MET CB C 93 34.100 34.100 30.506 3.594 19452 2529 1 5 . 1 1 93 93 MET H H 93 8.080 8.080 8.255 -0.175 19452 2530 1 5 . 1 1 94 94 PHE N N 94 123.300 123.300 123.950 -0.650 19452 2531 1 5 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.371 1.199 19452 2532 1 5 . 1 1 94 94 PHE C C 94 174.800 174.800 175.925 -1.125 19452 2533 1 5 . 1 1 94 94 PHE CA C 94 55.900 55.900 60.041 -4.141 19452 2534 1 5 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.290 5.510 19452 2535 1 5 . 1 1 94 94 PHE H H 94 9.990 9.990 8.015 1.975 19452 2536 1 5 . 1 1 95 95 LYS N N 95 117.100 117.100 118.808 -1.708 19452 2537 1 5 . 1 1 95 95 LYS C C 95 176.500 176.500 175.142 1.358 19452 2538 1 5 . 1 1 95 95 LYS CA C 95 57.500 57.500 55.684 1.816 19452 2539 1 5 . 1 1 95 95 LYS CB C 95 37.200 37.200 33.215 3.985 19452 2540 1 5 . 1 1 95 95 LYS H H 95 8.630 8.630 8.098 0.532 19452 2541 1 5 . 1 1 96 96 ASN N N 96 130.400 130.400 114.286 16.114 19452 2542 1 5 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.396 0.424 19452 2543 1 5 . 1 1 96 96 ASN C C 96 175.900 175.900 172.818 3.082 19452 2544 1 5 . 1 1 96 96 ASN CA C 96 54.500 54.500 51.788 2.712 19452 2545 1 5 . 1 1 96 96 ASN CB C 96 36.900 36.900 37.554 -0.654 19452 2546 1 5 . 1 1 96 96 ASN H H 96 10.190 10.190 8.208 1.982 19452 2547 1 5 . 1 1 97 97 GLY C C 97 173.700 173.700 173.080 0.620 19452 2548 1 5 . 1 1 97 97 GLY CA C 97 46.000 46.000 44.122 1.878 19452 2549 1 5 . 1 1 98 98 LYS N N 98 120.300 120.300 121.537 -1.237 19452 2550 1 5 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.684 0.056 19452 2551 1 5 . 1 1 98 98 LYS C C 98 175.500 175.500 174.634 0.866 19452 2552 1 5 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.836 -1.136 19452 2553 1 5 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.641 -2.441 19452 2554 1 5 . 1 1 98 98 LYS H H 98 7.840 7.840 7.689 0.151 19452 2555 1 5 . 1 1 99 99 LYS N N 99 124.900 124.900 120.826 4.074 19452 2556 1 5 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.191 -1.581 19452 2557 1 5 . 1 1 99 99 LYS C C 99 176.300 176.300 174.514 1.786 19452 2558 1 5 . 1 1 99 99 LYS CA C 99 56.600 56.600 54.989 1.611 19452 2559 1 5 . 1 1 99 99 LYS CB C 99 31.500 31.500 36.548 -5.048 19452 2560 1 5 . 1 1 99 99 LYS H H 99 8.880 8.880 8.967 -0.087 19452 2561 1 5 . 1 1 100 100 LEU N N 100 128.800 128.800 124.340 4.460 19452 2562 1 5 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.609 -0.169 19452 2563 1 5 . 1 1 100 100 LEU C C 100 177.400 177.400 175.179 2.221 19452 2564 1 5 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.359 1.941 19452 2565 1 5 . 1 1 100 100 LEU CB C 100 44.100 44.100 45.525 -1.425 19452 2566 1 5 . 1 1 100 100 LEU H H 100 9.320 9.320 8.672 0.648 19452 2567 1 5 . 1 1 101 101 SER N N 101 109.000 109.000 116.854 -7.854 19452 2568 1 5 . 1 1 101 101 SER HA H 101 4.550 4.550 5.020 -0.470 19452 2569 1 5 . 1 1 101 101 SER C C 101 172.400 172.400 173.272 -0.872 19452 2570 1 5 . 1 1 101 101 SER CA C 101 57.200 57.200 57.574 -0.374 19452 2571 1 5 . 1 1 101 101 SER CB C 101 64.400 64.400 64.352 0.048 19452 2572 1 5 . 1 1 101 101 SER H H 101 7.260 7.260 8.655 -1.395 19452 2573 1 5 . 1 1 102 102 GLN N N 102 119.900 119.900 123.154 -3.254 19452 2574 1 5 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.634 -0.414 19452 2575 1 5 . 1 1 102 102 GLN C C 102 173.800 173.800 175.146 -1.346 19452 2576 1 5 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.452 0.949 19452 2577 1 5 . 1 1 102 102 GLN CB C 102 31.800 31.800 33.027 -1.227 19452 2578 1 5 . 1 1 102 102 GLN H H 102 8.230 8.230 8.882 -0.652 19452 2579 1 5 . 1 1 103 103 VAL N N 103 123.800 123.800 120.405 3.395 19452 2580 1 5 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.405 -0.075 19452 2581 1 5 . 1 1 103 103 VAL C C 103 174.600 174.600 175.366 -0.766 19452 2582 1 5 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.492 -0.791 19452 2583 1 5 . 1 1 103 103 VAL CB C 103 34.600 34.600 34.835 -0.235 19452 2584 1 5 . 1 1 103 103 VAL H H 103 9.310 9.310 9.156 0.154 19452 2585 1 5 . 1 1 104 104 ILE N N 104 129.400 129.400 128.001 1.399 19452 2586 1 5 . 1 1 104 104 ILE C C 104 176.400 176.400 175.949 0.451 19452 2587 1 5 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.695 -1.195 19452 2588 1 5 . 1 1 104 104 ILE CB C 104 38.700 38.700 37.126 1.574 19452 2589 1 5 . 1 1 104 104 ILE H H 104 8.970 8.970 9.114 -0.144 19452 2590 1 5 . 1 1 105 105 GLY N N 105 115.400 115.400 104.498 10.902 19452 2591 1 5 . 1 1 105 105 GLY C C 105 172.700 172.700 173.482 -0.782 19452 2592 1 5 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.520 -1.820 19452 2593 1 5 . 1 1 105 105 GLY H H 105 8.500 8.500 8.578 -0.078 19452 2594 1 5 . 1 1 106 106 ALA N N 106 120.200 120.200 121.947 -1.747 19452 2595 1 5 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.679 -0.299 19452 2596 1 5 . 1 1 106 106 ALA C C 106 176.300 176.300 175.505 0.795 19452 2597 1 5 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.266 0.234 19452 2598 1 5 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.789 -4.389 19452 2599 1 5 . 1 1 106 106 ALA H H 106 8.360 8.360 7.805 0.555 19452 2600 1 5 . 1 1 107 107 ASP N N 107 121.100 121.100 121.398 -0.298 19452 2601 1 5 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.397 -0.627 19452 2602 1 5 . 1 1 107 107 ASP C C 107 176.600 176.600 175.604 0.996 19452 2603 1 5 . 1 1 107 107 ASP CA C 107 52.600 52.600 53.812 -1.212 19452 2604 1 5 . 1 1 107 107 ASP CB C 107 40.600 40.600 42.011 -1.411 19452 2605 1 5 . 1 1 107 107 ASP H H 107 7.610 7.610 8.627 -1.017 19452 2606 1 5 . 1 1 108 108 ILE N N 108 125.700 125.700 122.163 3.537 19452 2607 1 5 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.425 -0.415 19452 2608 1 5 . 1 1 108 108 ILE C C 108 176.400 176.400 175.695 0.705 19452 2609 1 5 . 1 1 108 108 ILE CA C 108 60.700 60.700 61.593 -0.893 19452 2610 1 5 . 1 1 108 108 ILE CB C 108 38.300 38.300 39.149 -0.849 19452 2611 1 5 . 1 1 108 108 ILE H H 108 8.550 8.550 8.483 0.067 19452 2612 1 5 . 1 1 109 109 SER N N 109 117.700 117.700 110.901 6.799 19452 2613 1 5 . 1 1 109 109 SER HA H 109 4.180 4.180 4.635 -0.455 19452 2614 1 5 . 1 1 109 109 SER C C 109 177.300 177.300 171.771 5.529 19452 2615 1 5 . 1 1 109 109 SER CA C 109 61.700 61.700 58.303 3.397 19452 2616 1 5 . 1 1 109 109 SER CB C 109 62.100 62.100 65.691 -3.591 19452 2617 1 5 . 1 1 109 109 SER H H 109 8.330 8.330 7.488 0.842 19452 2618 1 5 . 1 1 110 110 LYS N N 110 123.200 123.200 120.498 2.702 19452 2619 1 5 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.906 -0.686 19452 2620 1 5 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.070 3.030 19452 2621 1 5 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.414 -2.114 19452 2622 1 5 . 1 1 110 110 LYS H H 110 7.480 7.480 8.458 -0.978 19452 2623 1 5 . 1 1 111 111 ILE N N 111 119.300 119.300 125.673 -6.373 19452 2624 1 5 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.118 -0.088 19452 2625 1 5 . 1 1 111 111 ILE C C 111 177.200 177.200 174.888 2.312 19452 2626 1 5 . 1 1 111 111 ILE CA C 111 61.100 61.100 61.250 -0.150 19452 2627 1 5 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.461 -1.661 19452 2628 1 5 . 1 1 111 111 ILE H H 111 7.640 7.640 7.920 -0.280 19452 2629 1 5 . 1 1 112 112 ILE N N 112 118.700 118.700 125.451 -6.751 19452 2630 1 5 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.255 -0.825 19452 2631 1 5 . 1 1 112 112 ILE C C 112 177.700 177.700 176.144 1.556 19452 2632 1 5 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.674 5.426 19452 2633 1 5 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.746 -0.246 19452 2634 1 5 . 1 1 112 112 ILE H H 112 8.410 8.410 8.347 0.063 19452 2635 1 5 . 1 1 113 113 SER N N 113 113.800 113.800 123.439 -9.639 19452 2636 1 5 . 1 1 113 113 SER HA H 113 4.200 4.200 4.206 -0.006 19452 2637 1 5 . 1 1 113 113 SER C C 113 177.200 177.200 172.351 4.849 19452 2638 1 5 . 1 1 113 113 SER CA C 113 62.000 62.000 57.448 4.552 19452 2639 1 5 . 1 1 113 113 SER H H 113 7.920 7.920 8.074 -0.154 19452 2640 1 5 . 1 1 114 114 GLU N N 114 119.400 119.400 121.607 -2.207 19452 2641 1 5 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.740 -0.590 19452 2642 1 5 . 1 1 114 114 GLU C C 114 179.900 179.900 174.960 4.940 19452 2643 1 5 . 1 1 114 114 GLU CA C 114 58.500 58.500 55.958 2.542 19452 2644 1 5 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.720 -3.420 19452 2645 1 5 . 1 1 114 114 GLU H H 114 8.010 8.010 8.428 -0.418 19452 2646 1 5 . 1 1 115 115 ILE N N 115 121.700 121.700 123.501 -1.801 19452 2647 1 5 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.433 -1.053 19452 2648 1 5 . 1 1 115 115 ILE C C 115 178.100 178.100 175.512 2.588 19452 2649 1 5 . 1 1 115 115 ILE CA C 115 66.000 66.000 60.645 5.355 19452 2650 1 5 . 1 1 115 115 ILE CB C 115 37.700 37.700 40.671 -2.971 19452 2651 1 5 . 1 1 115 115 ILE H H 115 8.370 8.370 8.030 0.340 19452 2652 1 5 . 1 1 116 116 ASN N N 116 116.100 116.100 124.543 -8.443 19452 2653 1 5 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.473 -0.143 19452 2654 1 5 . 1 1 116 116 ASN C C 116 177.900 177.900 176.034 1.866 19452 2655 1 5 . 1 1 116 116 ASN CA C 116 55.900 55.900 54.744 1.156 19452 2656 1 5 . 1 1 116 116 ASN CB C 116 37.600 37.600 39.133 -1.534 19452 2657 1 5 . 1 1 116 116 ASN H H 116 8.230 8.230 8.774 -0.544 19452 2658 1 5 . 1 1 117 117 ASN N N 117 115.400 115.400 116.582 -1.182 19452 2659 1 5 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.434 0.196 19452 2660 1 5 . 1 1 117 117 ASN C C 117 176.200 176.200 177.462 -1.262 19452 2661 1 5 . 1 1 117 117 ASN CA C 117 54.300 54.300 55.955 -1.655 19452 2662 1 5 . 1 1 117 117 ASN CB C 117 39.100 39.100 38.257 0.843 19452 2663 1 5 . 1 1 117 117 ASN H H 117 7.930 7.930 8.378 -0.448 19452 2664 1 5 . 1 1 118 118 ASN N N 118 115.400 115.400 121.480 -6.080 19452 2665 1 5 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.633 0.377 19452 2666 1 5 . 1 1 118 118 ASN C C 118 174.400 174.400 177.361 -2.961 19452 2667 1 5 . 1 1 118 118 ASN CA C 118 54.200 54.200 54.889 -0.689 19452 2668 1 5 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.397 3.803 19452 2669 1 5 . 1 1 118 118 ASN H H 118 7.710 7.710 7.552 0.158 19452 2670 1 5 . 1 1 119 119 ILE N N 119 117.300 117.300 117.990 -0.690 19452 2671 1 5 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.777 0.543 19452 2672 1 5 . 1 1 119 119 ILE C C 119 174.900 174.900 177.720 -2.820 19452 2673 1 5 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.964 -2.764 19452 2674 1 5 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.519 1.681 19452 2675 1 5 . 1 1 119 119 ILE H H 119 7.520 7.520 8.021 -0.501 19452 2676 1 5 . 1 1 120 120 ASN N N 120 124.900 124.900 114.639 10.261 19452 2677 1 5 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.565 -0.055 19452 2678 1 5 . 1 1 120 120 ASN CA C 120 55.000 55.000 55.834 -0.834 19452 2679 1 5 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.787 2.413 19452 2680 1 5 . 1 1 120 120 ASN H H 120 7.960 7.960 8.110 -0.150 19452 2681 1 6 . 1 1 2 2 GLY N N 2 109.900 109.900 110.111 -0.211 19452 2682 1 6 . 1 1 2 2 GLY C C 2 174.400 174.400 173.382 1.018 19452 2683 1 6 . 1 1 2 2 GLY CA C 2 45.600 45.600 45.175 0.425 19452 2684 1 6 . 1 1 2 2 GLY H H 2 8.480 8.480 8.215 0.265 19452 2685 1 6 . 1 1 3 3 THR N N 3 113.700 113.700 111.669 2.031 19452 2686 1 6 . 1 1 3 3 THR C C 3 174.900 174.900 173.126 1.774 19452 2687 1 6 . 1 1 3 3 THR CA C 3 62.400 62.400 62.113 0.287 19452 2688 1 6 . 1 1 3 3 THR CB C 3 70.000 70.000 71.311 -1.312 19452 2689 1 6 . 1 1 3 3 THR H H 3 8.090 8.090 8.324 -0.234 19452 2690 1 6 . 1 1 4 4 LEU N N 4 124.100 124.100 123.235 0.865 19452 2691 1 6 . 1 1 4 4 LEU C C 4 177.600 177.600 175.246 2.354 19452 2692 1 6 . 1 1 4 4 LEU CA C 4 55.700 55.700 53.750 1.950 19452 2693 1 6 . 1 1 4 4 LEU CB C 4 42.300 42.300 43.663 -1.363 19452 2694 1 6 . 1 1 4 4 LEU H H 4 8.400 8.400 8.196 0.204 19452 2695 1 6 . 1 1 5 5 GLU N N 5 121.600 121.600 121.828 -0.228 19452 2696 1 6 . 1 1 5 5 GLU C C 5 176.500 176.500 175.326 1.174 19452 2697 1 6 . 1 1 5 5 GLU CA C 5 57.000 57.000 55.203 1.797 19452 2698 1 6 . 1 1 5 5 GLU CB C 5 29.900 29.900 32.669 -2.769 19452 2699 1 6 . 1 1 5 5 GLU H H 5 8.430 8.430 8.370 0.060 19452 2700 1 6 . 1 1 6 6 ALA N N 6 124.500 124.500 120.717 3.783 19452 2701 1 6 . 1 1 6 6 ALA C C 6 177.900 177.900 176.859 1.041 19452 2702 1 6 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.188 1.712 19452 2703 1 6 . 1 1 6 6 ALA CB C 6 19.200 19.200 20.841 -1.641 19452 2704 1 6 . 1 1 6 6 ALA H H 6 8.330 8.330 8.584 -0.254 19452 2705 1 6 . 1 1 7 7 GLN N N 7 119.200 119.200 120.854 -1.654 19452 2706 1 6 . 1 1 7 7 GLN C C 7 176.400 176.400 176.094 0.306 19452 2707 1 6 . 1 1 7 7 GLN CA C 7 56.000 56.000 56.498 -0.498 19452 2708 1 6 . 1 1 7 7 GLN CB C 7 29.200 29.200 29.604 -0.404 19452 2709 1 6 . 1 1 7 7 GLN H H 7 8.400 8.400 8.690 -0.290 19452 2710 1 6 . 1 1 8 8 THR N N 8 115.100 115.100 115.258 -0.158 19452 2711 1 6 . 1 1 8 8 THR C C 8 174.500 174.500 173.497 1.003 19452 2712 1 6 . 1 1 8 8 THR CA C 8 62.300 62.300 62.053 0.246 19452 2713 1 6 . 1 1 8 8 THR CB C 8 70.000 70.000 68.943 1.057 19452 2714 1 6 . 1 1 8 8 THR H H 8 8.210 8.210 8.878 -0.668 19452 2715 1 6 . 1 1 9 9 GLN N N 9 122.300 122.300 126.045 -3.745 19452 2716 1 6 . 1 1 9 9 GLN C C 9 176.100 176.100 173.846 2.254 19452 2717 1 6 . 1 1 9 9 GLN CA C 9 55.900 55.900 55.746 0.154 19452 2718 1 6 . 1 1 9 9 GLN CB C 9 29.500 29.500 32.379 -2.879 19452 2719 1 6 . 1 1 9 9 GLN H H 9 8.470 8.470 8.462 0.008 19452 2720 1 6 . 1 1 10 10 GLY N N 10 110.300 110.300 108.602 1.698 19452 2721 1 6 . 1 1 10 10 GLY CA C 10 44.400 44.400 45.128 -0.728 19452 2722 1 6 . 1 1 10 10 GLY H H 10 8.360 8.360 8.265 0.095 19452 2723 1 6 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.350 0.090 19452 2724 1 6 . 1 1 11 11 PRO C C 11 177.800 177.800 178.080 -0.280 19452 2725 1 6 . 1 1 11 11 PRO CA C 11 63.300 63.300 62.590 0.710 19452 2726 1 6 . 1 1 11 11 PRO CB C 11 32.000 32.000 32.736 -0.736 19452 2727 1 6 . 1 1 12 12 GLY N N 12 109.600 109.600 111.544 -1.944 19452 2728 1 6 . 1 1 12 12 GLY CA C 12 44.900 44.900 46.098 -1.198 19452 2729 1 6 . 1 1 12 12 GLY H H 12 8.600 8.600 8.593 0.007 19452 2730 1 6 . 1 1 13 13 SER N N 13 114.700 114.700 119.949 -5.249 19452 2731 1 6 . 1 1 13 13 SER HA H 13 4.510 4.510 4.445 0.065 19452 2732 1 6 . 1 1 13 13 SER C C 13 175.300 175.300 174.186 1.114 19452 2733 1 6 . 1 1 13 13 SER CA C 13 57.800 57.800 58.255 -0.455 19452 2734 1 6 . 1 1 13 13 SER CB C 13 62.300 62.300 64.363 -2.063 19452 2735 1 6 . 1 1 13 13 SER H H 13 8.130 8.130 8.350 -0.220 19452 2736 1 6 . 1 1 14 14 MET N N 14 124.300 124.300 121.311 2.989 19452 2737 1 6 . 1 1 14 14 MET HA H 14 4.470 4.470 4.597 -0.127 19452 2738 1 6 . 1 1 14 14 MET CA C 14 55.700 55.700 54.680 1.020 19452 2739 1 6 . 1 1 14 14 MET CB C 14 32.700 32.700 33.728 -1.028 19452 2740 1 6 . 1 1 14 14 MET H H 14 9.430 9.430 8.224 1.206 19452 2741 1 6 . 1 1 15 15 ILE N N 15 122.600 122.600 118.658 3.942 19452 2742 1 6 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.055 -0.045 19452 2743 1 6 . 1 1 15 15 ILE C C 15 175.300 175.300 176.000 -0.700 19452 2744 1 6 . 1 1 15 15 ILE CA C 15 60.700 60.700 62.725 -2.025 19452 2745 1 6 . 1 1 15 15 ILE CB C 15 37.500 37.500 38.121 -0.621 19452 2746 1 6 . 1 1 15 15 ILE H H 15 8.520 8.520 8.413 0.107 19452 2747 1 6 . 1 1 16 16 GLU N N 16 129.300 129.300 116.722 12.578 19452 2748 1 6 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.622 -0.252 19452 2749 1 6 . 1 1 16 16 GLU C C 16 175.500 175.500 175.464 0.036 19452 2750 1 6 . 1 1 16 16 GLU CA C 16 56.100 56.100 55.912 0.188 19452 2751 1 6 . 1 1 16 16 GLU CB C 16 31.400 31.400 30.194 1.206 19452 2752 1 6 . 1 1 16 16 GLU H H 16 8.220 8.220 7.827 0.393 19452 2753 1 6 . 1 1 17 17 GLN N N 17 124.500 124.500 123.302 1.198 19452 2754 1 6 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.639 0.481 19452 2755 1 6 . 1 1 17 17 GLN C C 17 176.000 176.000 174.777 1.223 19452 2756 1 6 . 1 1 17 17 GLN CA C 17 55.200 55.200 55.406 -0.205 19452 2757 1 6 . 1 1 17 17 GLN CB C 17 30.400 30.400 31.702 -1.302 19452 2758 1 6 . 1 1 17 17 GLN H H 17 8.810 8.810 8.293 0.517 19452 2759 1 6 . 1 1 18 18 ILE N N 18 118.700 118.700 119.984 -1.284 19452 2760 1 6 . 1 1 18 18 ILE C C 18 174.400 174.400 173.792 0.608 19452 2761 1 6 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.541 -1.942 19452 2762 1 6 . 1 1 18 18 ILE H H 18 8.840 8.840 8.594 0.246 19452 2763 1 6 . 1 1 19 19 GLY C C 19 174.800 174.800 174.022 0.778 19452 2764 1 6 . 1 1 19 19 GLY CA C 19 43.100 43.100 45.095 -1.995 19452 2765 1 6 . 1 1 20 20 ASP N N 20 119.100 119.100 121.379 -2.279 19452 2766 1 6 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.545 0.045 19452 2767 1 6 . 1 1 20 20 ASP C C 20 179.900 179.900 175.528 4.372 19452 2768 1 6 . 1 1 20 20 ASP CA C 20 58.000 58.000 53.461 4.539 19452 2769 1 6 . 1 1 20 20 ASP H H 20 8.090 8.090 8.374 -0.284 19452 2770 1 6 . 1 1 21 21 SER N N 21 112.000 112.000 118.519 -6.519 19452 2771 1 6 . 1 1 21 21 SER HA H 21 4.320 4.320 4.515 -0.195 19452 2772 1 6 . 1 1 21 21 SER CA C 21 60.700 60.700 59.653 1.047 19452 2773 1 6 . 1 1 21 21 SER CB C 21 62.500 62.500 62.756 -0.256 19452 2774 1 6 . 1 1 21 21 SER H H 21 8.750 8.750 8.640 0.110 19452 2775 1 6 . 1 1 22 22 GLU N N 22 119.000 119.000 125.739 -6.739 19452 2776 1 6 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.509 0.071 19452 2777 1 6 . 1 1 22 22 GLU C C 22 176.000 176.000 176.241 -0.241 19452 2778 1 6 . 1 1 22 22 GLU CA C 22 56.200 56.200 56.651 -0.451 19452 2779 1 6 . 1 1 22 22 GLU CB C 22 31.600 31.600 30.891 0.709 19452 2780 1 6 . 1 1 22 22 GLU H H 22 7.660 7.660 8.274 -0.614 19452 2781 1 6 . 1 1 23 23 PHE N N 23 120.900 120.900 119.728 1.172 19452 2782 1 6 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.552 -0.982 19452 2783 1 6 . 1 1 23 23 PHE C C 23 176.500 176.500 175.380 1.120 19452 2784 1 6 . 1 1 23 23 PHE CA C 23 63.100 63.100 57.800 5.301 19452 2785 1 6 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.376 1.325 19452 2786 1 6 . 1 1 23 23 PHE H H 23 7.490 7.490 7.714 -0.224 19452 2787 1 6 . 1 1 24 24 ASP N N 24 118.500 118.500 124.974 -6.474 19452 2788 1 6 . 1 1 24 24 ASP HA H 24 4.630 4.630 4.991 -0.361 19452 2789 1 6 . 1 1 24 24 ASP C C 24 178.400 178.400 175.017 3.383 19452 2790 1 6 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.984 3.716 19452 2791 1 6 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.164 -2.964 19452 2792 1 6 . 1 1 24 24 ASP H H 24 8.900 8.900 8.811 0.089 19452 2793 1 6 . 1 1 25 25 ASN N N 25 117.200 117.200 119.173 -1.973 19452 2794 1 6 . 1 1 25 25 ASN HA H 25 4.200 4.200 5.370 -1.170 19452 2795 1 6 . 1 1 25 25 ASN C C 25 176.400 176.400 174.945 1.455 19452 2796 1 6 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.417 3.583 19452 2797 1 6 . 1 1 25 25 ASN CB C 25 39.000 39.000 39.357 -0.357 19452 2798 1 6 . 1 1 26 26 LYS N N 26 112.800 112.800 119.373 -6.573 19452 2799 1 6 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.882 -0.882 19452 2800 1 6 . 1 1 26 26 LYS C C 26 175.500 175.500 175.193 0.307 19452 2801 1 6 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.443 1.857 19452 2802 1 6 . 1 1 26 26 LYS CB C 26 33.000 33.000 34.848 -1.848 19452 2803 1 6 . 1 1 26 26 LYS H H 26 7.730 7.730 9.122 -1.392 19452 2804 1 6 . 1 1 27 27 VAL N N 27 114.500 114.500 116.332 -1.832 19452 2805 1 6 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.325 -0.285 19452 2806 1 6 . 1 1 27 27 VAL C C 27 177.900 177.900 175.236 2.664 19452 2807 1 6 . 1 1 27 27 VAL CA C 27 63.700 63.700 60.598 3.102 19452 2808 1 6 . 1 1 27 27 VAL H H 27 7.680 7.680 8.198 -0.518 19452 2809 1 6 . 1 1 28 28 THR N N 28 110.000 110.000 113.011 -3.011 19452 2810 1 6 . 1 1 28 28 THR HA H 28 3.710 3.710 4.049 -0.339 19452 2811 1 6 . 1 1 28 28 THR C C 28 175.800 175.800 175.865 -0.065 19452 2812 1 6 . 1 1 28 28 THR CA C 28 65.200 65.200 64.964 0.236 19452 2813 1 6 . 1 1 28 28 THR CB C 28 68.100 68.100 69.003 -0.903 19452 2814 1 6 . 1 1 28 28 THR H H 28 7.010 7.010 8.434 -1.424 19452 2815 1 6 . 1 1 29 29 SER N N 29 113.600 113.600 112.885 0.715 19452 2816 1 6 . 1 1 29 29 SER HA H 29 4.480 4.480 4.317 0.163 19452 2817 1 6 . 1 1 29 29 SER C C 29 174.200 174.200 175.620 -1.420 19452 2818 1 6 . 1 1 29 29 SER CA C 29 58.500 58.500 60.562 -2.062 19452 2819 1 6 . 1 1 29 29 SER CB C 29 63.300 63.300 63.253 0.047 19452 2820 1 6 . 1 1 29 29 SER H H 29 8.350 8.350 8.078 0.272 19452 2821 1 6 . 1 1 30 30 CYS N N 30 120.000 120.000 119.288 0.712 19452 2822 1 6 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.544 -0.424 19452 2823 1 6 . 1 1 30 30 CYS C C 30 174.200 174.200 175.680 -1.480 19452 2824 1 6 . 1 1 30 30 CYS CA C 30 69.700 69.700 58.849 10.851 19452 2825 1 6 . 1 1 30 30 CYS CB C 30 27.800 27.800 26.987 0.813 19452 2826 1 6 . 1 1 30 30 CYS H H 30 6.810 6.810 7.366 -0.556 19452 2827 1 6 . 1 1 31 31 ASN N N 31 124.300 124.300 120.781 3.519 19452 2828 1 6 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.244 0.866 19452 2829 1 6 . 1 1 31 31 ASN C C 31 174.900 174.900 176.057 -1.157 19452 2830 1 6 . 1 1 31 31 ASN CA C 31 52.400 52.400 56.988 -4.588 19452 2831 1 6 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.317 0.183 19452 2832 1 6 . 1 1 31 31 ASN H H 31 8.760 8.760 7.993 0.767 19452 2833 1 6 . 1 1 32 32 ASP N N 32 119.000 119.000 117.288 1.712 19452 2834 1 6 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.814 0.746 19452 2835 1 6 . 1 1 32 32 ASP C C 32 176.600 176.600 178.887 -2.287 19452 2836 1 6 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.751 -3.251 19452 2837 1 6 . 1 1 32 32 ASP CB C 32 42.000 42.000 40.048 1.952 19452 2838 1 6 . 1 1 32 32 ASP H H 32 7.720 7.720 8.728 -1.008 19452 2839 1 6 . 1 1 33 33 ASN N N 33 115.400 115.400 117.693 -2.293 19452 2840 1 6 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.423 -0.253 19452 2841 1 6 . 1 1 33 33 ASN C C 33 173.700 173.700 176.445 -2.745 19452 2842 1 6 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.549 -1.249 19452 2843 1 6 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.578 -0.778 19452 2844 1 6 . 1 1 33 33 ASN H H 33 9.750 9.750 8.280 1.470 19452 2845 1 6 . 1 1 34 34 ILE N N 34 120.700 120.700 115.658 5.042 19452 2846 1 6 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.284 -0.264 19452 2847 1 6 . 1 1 34 34 ILE C C 34 175.500 175.500 177.183 -1.683 19452 2848 1 6 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.474 -3.074 19452 2849 1 6 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.672 -2.172 19452 2850 1 6 . 1 1 34 34 ILE H H 34 7.850 7.850 7.593 0.257 19452 2851 1 6 . 1 1 35 35 LEU N N 35 128.400 128.400 121.638 6.762 19452 2852 1 6 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.096 0.574 19452 2853 1 6 . 1 1 35 35 LEU C C 35 173.700 173.700 178.628 -4.928 19452 2854 1 6 . 1 1 35 35 LEU CA C 35 54.900 54.900 58.773 -3.873 19452 2855 1 6 . 1 1 35 35 LEU CB C 35 42.400 42.400 41.419 0.982 19452 2856 1 6 . 1 1 35 35 LEU H H 35 8.100 8.100 8.225 -0.125 19452 2857 1 6 . 1 1 36 36 ILE N N 36 128.800 128.800 120.922 7.878 19452 2858 1 6 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.858 1.192 19452 2859 1 6 . 1 1 36 36 ILE C C 36 175.800 175.800 177.670 -1.870 19452 2860 1 6 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.519 -4.719 19452 2861 1 6 . 1 1 36 36 ILE CB C 36 39.900 39.900 36.878 3.022 19452 2862 1 6 . 1 1 36 36 ILE H H 36 9.320 9.320 7.610 1.710 19452 2863 1 6 . 1 1 37 37 LEU N N 37 129.600 129.600 120.674 8.926 19452 2864 1 6 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.357 0.913 19452 2865 1 6 . 1 1 37 37 LEU C C 37 175.500 175.500 176.441 -0.941 19452 2866 1 6 . 1 1 37 37 LEU CA C 37 54.000 54.000 53.717 0.283 19452 2867 1 6 . 1 1 37 37 LEU CB C 37 44.800 44.800 41.099 3.701 19452 2868 1 6 . 1 1 37 37 LEU H H 37 9.400 9.400 7.885 1.515 19452 2869 1 6 . 1 1 38 38 VAL N N 38 120.100 120.100 121.963 -1.863 19452 2870 1 6 . 1 1 38 38 VAL HA H 38 4.590 4.590 4.038 0.552 19452 2871 1 6 . 1 1 38 38 VAL C C 38 174.000 174.000 176.281 -2.281 19452 2872 1 6 . 1 1 38 38 VAL CA C 38 61.100 61.100 62.881 -1.781 19452 2873 1 6 . 1 1 38 38 VAL CB C 38 33.500 33.500 31.238 2.263 19452 2874 1 6 . 1 1 38 38 VAL H H 38 9.440 9.440 7.624 1.816 19452 2875 1 6 . 1 1 39 39 ASP N N 39 125.600 125.600 125.215 0.385 19452 2876 1 6 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.655 0.515 19452 2877 1 6 . 1 1 39 39 ASP CA C 39 51.900 51.900 55.072 -3.172 19452 2878 1 6 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.167 -2.367 19452 2879 1 6 . 1 1 39 39 ASP H H 39 9.240 9.240 8.796 0.444 19452 2880 1 6 . 1 1 40 40 PHE N N 40 119.600 119.600 117.839 1.761 19452 2881 1 6 . 1 1 40 40 PHE H H 40 8.860 8.860 7.882 0.978 19452 2882 1 6 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.348 0.062 19452 2883 1 6 . 1 1 53 53 PRO CA C 53 65.500 65.500 62.920 2.579 19452 2884 1 6 . 1 1 53 53 PRO CB C 53 30.800 30.800 32.891 -2.091 19452 2885 1 6 . 1 1 54 54 GLN N N 54 115.300 115.300 118.851 -3.551 19452 2886 1 6 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.512 -0.312 19452 2887 1 6 . 1 1 54 54 GLN C C 54 179.400 179.400 174.186 5.214 19452 2888 1 6 . 1 1 54 54 GLN CA C 54 58.000 58.000 56.809 1.191 19452 2889 1 6 . 1 1 54 54 GLN H H 54 7.080 7.080 8.557 -1.477 19452 2890 1 6 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.317 -0.327 19452 2891 1 6 . 1 1 55 55 LEU C C 55 178.700 178.700 175.729 2.971 19452 2892 1 6 . 1 1 55 55 LEU CA C 55 57.300 57.300 55.831 1.469 19452 2893 1 6 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.409 -1.109 19452 2894 1 6 . 1 1 56 56 GLU N N 56 118.900 118.900 118.597 0.303 19452 2895 1 6 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.641 -0.801 19452 2896 1 6 . 1 1 56 56 GLU C C 56 179.100 179.100 175.507 3.593 19452 2897 1 6 . 1 1 56 56 GLU CA C 56 59.500 59.500 54.700 4.800 19452 2898 1 6 . 1 1 56 56 GLU CB C 56 29.000 29.000 33.252 -4.252 19452 2899 1 6 . 1 1 56 56 GLU H H 56 8.150 8.150 7.987 0.163 19452 2900 1 6 . 1 1 57 57 LYS N N 57 117.000 117.000 123.090 -6.090 19452 2901 1 6 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.594 -0.524 19452 2902 1 6 . 1 1 57 57 LYS C C 57 179.800 179.800 174.870 4.930 19452 2903 1 6 . 1 1 57 57 LYS CA C 57 59.000 59.000 55.601 3.399 19452 2904 1 6 . 1 1 57 57 LYS CB C 57 31.900 31.900 31.609 0.291 19452 2905 1 6 . 1 1 57 57 LYS H H 57 7.160 7.160 8.579 -1.419 19452 2906 1 6 . 1 1 58 58 LEU N N 58 119.900 119.900 120.080 -0.180 19452 2907 1 6 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.495 -0.295 19452 2908 1 6 . 1 1 58 58 LEU C C 58 178.700 178.700 176.777 1.923 19452 2909 1 6 . 1 1 58 58 LEU CA C 58 57.700 57.700 54.019 3.681 19452 2910 1 6 . 1 1 58 58 LEU CB C 58 41.700 41.700 45.107 -3.407 19452 2911 1 6 . 1 1 58 58 LEU H H 58 7.650 7.650 7.890 -0.240 19452 2912 1 6 . 1 1 59 59 ALA N N 59 120.700 120.700 124.136 -3.436 19452 2913 1 6 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.056 -0.196 19452 2914 1 6 . 1 1 59 59 ALA C C 59 180.000 180.000 177.472 2.528 19452 2915 1 6 . 1 1 59 59 ALA CA C 59 54.600 54.600 52.856 1.744 19452 2916 1 6 . 1 1 59 59 ALA CB C 59 18.000 18.000 19.079 -1.079 19452 2917 1 6 . 1 1 59 59 ALA H H 59 8.440 8.440 8.693 -0.253 19452 2918 1 6 . 1 1 60 60 GLN N N 60 113.100 113.100 113.546 -0.446 19452 2919 1 6 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.111 -0.051 19452 2920 1 6 . 1 1 60 60 GLN C C 60 177.800 177.800 174.541 3.259 19452 2921 1 6 . 1 1 60 60 GLN CA C 60 57.500 57.500 55.499 2.001 19452 2922 1 6 . 1 1 60 60 GLN CB C 60 28.800 28.800 26.867 1.933 19452 2923 1 6 . 1 1 60 60 GLN H H 60 7.340 7.340 8.148 -0.807 19452 2924 1 6 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.173 -0.143 19452 2925 1 6 . 1 1 61 61 GLN C C 61 177.300 177.300 176.646 0.654 19452 2926 1 6 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.408 0.392 19452 2927 1 6 . 1 1 61 61 GLN CB C 61 29.000 29.000 28.967 0.033 19452 2928 1 6 . 1 1 62 62 TYR N N 62 117.300 117.300 118.964 -1.664 19452 2929 1 6 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.314 0.666 19452 2930 1 6 . 1 1 62 62 TYR C C 62 175.800 175.800 178.278 -2.478 19452 2931 1 6 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.897 -4.797 19452 2932 1 6 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.533 0.367 19452 2933 1 6 . 1 1 62 62 TYR H H 62 7.950 7.950 8.763 -0.813 19452 2934 1 6 . 1 1 63 63 THR N N 63 111.900 111.900 112.283 -0.383 19452 2935 1 6 . 1 1 63 63 THR HA H 63 4.190 4.190 4.055 0.135 19452 2936 1 6 . 1 1 63 63 THR C C 63 175.700 175.700 176.962 -1.262 19452 2937 1 6 . 1 1 63 63 THR CA C 63 64.600 64.600 65.494 -0.894 19452 2938 1 6 . 1 1 63 63 THR CB C 63 69.200 69.200 67.870 1.330 19452 2939 1 6 . 1 1 63 63 THR H H 63 7.110 7.110 7.623 -0.513 19452 2940 1 6 . 1 1 64 64 GLU N N 64 117.500 117.500 118.889 -1.389 19452 2941 1 6 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.917 0.383 19452 2942 1 6 . 1 1 64 64 GLU C C 64 177.400 177.400 179.011 -1.611 19452 2943 1 6 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.843 -1.843 19452 2944 1 6 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.209 0.891 19452 2945 1 6 . 1 1 64 64 GLU H H 64 8.610 8.610 7.899 0.711 19452 2946 1 6 . 1 1 65 65 ASN N N 65 113.300 113.300 118.047 -4.747 19452 2947 1 6 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.398 0.592 19452 2948 1 6 . 1 1 65 65 ASN C C 65 173.600 173.600 178.323 -4.723 19452 2949 1 6 . 1 1 65 65 ASN CA C 65 54.000 54.000 56.254 -2.254 19452 2950 1 6 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.381 2.719 19452 2951 1 6 . 1 1 65 65 ASN H H 65 8.050 8.050 8.180 -0.130 19452 2952 1 6 . 1 1 66 66 VAL N N 66 119.200 119.200 117.484 1.716 19452 2953 1 6 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.908 1.632 19452 2954 1 6 . 1 1 66 66 VAL C C 66 174.900 174.900 178.018 -3.118 19452 2955 1 6 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.111 -4.211 19452 2956 1 6 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.686 5.014 19452 2957 1 6 . 1 1 66 66 VAL H H 66 7.890 7.890 8.045 -0.155 19452 2958 1 6 . 1 1 67 67 LYS N N 67 127.600 127.600 120.162 7.438 19452 2959 1 6 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.824 0.736 19452 2960 1 6 . 1 1 67 67 LYS C C 67 173.600 173.600 178.322 -4.722 19452 2961 1 6 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.467 -5.367 19452 2962 1 6 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.776 4.424 19452 2963 1 6 . 1 1 67 67 LYS H H 67 8.700 8.700 8.269 0.431 19452 2964 1 6 . 1 1 68 68 ILE N N 68 123.200 123.200 116.263 6.937 19452 2965 1 6 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.868 0.712 19452 2966 1 6 . 1 1 68 68 ILE C C 68 173.900 173.900 179.420 -5.520 19452 2967 1 6 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.636 -3.136 19452 2968 1 6 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.995 0.505 19452 2969 1 6 . 1 1 68 68 ILE H H 68 8.770 8.770 7.607 1.163 19452 2970 1 6 . 1 1 69 69 TYR N N 69 124.400 124.400 119.207 5.193 19452 2971 1 6 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.150 1.510 19452 2972 1 6 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.527 -4.927 19452 2973 1 6 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.894 4.506 19452 2974 1 6 . 1 1 69 69 TYR H H 69 9.060 9.060 7.528 1.532 19452 2975 1 6 . 1 1 73 73 ILE C C 73 177.400 177.400 173.809 3.591 19452 2976 1 6 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.208 1.392 19452 2977 1 6 . 1 1 74 74 GLU N N 74 121.800 121.800 119.025 2.775 19452 2978 1 6 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.600 -0.320 19452 2979 1 6 . 1 1 74 74 GLU C C 74 177.800 177.800 174.466 3.334 19452 2980 1 6 . 1 1 74 74 GLU CA C 74 58.900 58.900 55.226 3.674 19452 2981 1 6 . 1 1 74 74 GLU CB C 74 29.700 29.700 33.367 -3.667 19452 2982 1 6 . 1 1 74 74 GLU H H 74 8.560 8.560 7.852 0.708 19452 2983 1 6 . 1 1 75 75 ASP N N 75 114.200 114.200 123.603 -9.403 19452 2984 1 6 . 1 1 75 75 ASP C C 75 175.800 175.800 174.066 1.734 19452 2985 1 6 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.493 2.507 19452 2986 1 6 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.465 -2.665 19452 2987 1 6 . 1 1 75 75 ASP H H 75 6.840 6.840 8.905 -2.065 19452 2988 1 6 . 1 1 76 76 ASN N N 76 118.400 118.400 118.353 0.047 19452 2989 1 6 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.316 -0.296 19452 2990 1 6 . 1 1 76 76 ASN C C 76 174.000 174.000 173.316 0.684 19452 2991 1 6 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.311 1.389 19452 2992 1 6 . 1 1 76 76 ASN CB C 76 41.600 41.600 41.423 0.177 19452 2993 1 6 . 1 1 76 76 ASN H H 76 7.600 7.600 8.356 -0.756 19452 2994 1 6 . 1 1 77 77 GLN N N 77 122.000 122.000 124.812 -2.812 19452 2995 1 6 . 1 1 77 77 GLN HA H 77 4.740 4.740 5.372 -0.632 19452 2996 1 6 . 1 1 77 77 GLN C C 77 177.800 177.800 174.517 3.283 19452 2997 1 6 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.183 3.217 19452 2998 1 6 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.165 -2.565 19452 2999 1 6 . 1 1 77 77 GLN H H 77 9.040 9.040 8.745 0.295 19452 3000 1 6 . 1 1 78 78 ASP N N 78 125.900 125.900 117.652 8.248 19452 3001 1 6 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.089 -0.679 19452 3002 1 6 . 1 1 78 78 ASP C C 78 178.900 178.900 173.600 5.300 19452 3003 1 6 . 1 1 78 78 ASP CA C 78 58.700 58.700 52.813 5.887 19452 3004 1 6 . 1 1 78 78 ASP CB C 78 40.000 40.000 43.657 -3.656 19452 3005 1 6 . 1 1 78 78 ASP H H 78 10.210 10.210 8.493 1.717 19452 3006 1 6 . 1 1 79 79 VAL N N 79 123.800 123.800 119.737 4.063 19452 3007 1 6 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.678 -1.188 19452 3008 1 6 . 1 1 79 79 VAL C C 79 178.400 178.400 175.447 2.953 19452 3009 1 6 . 1 1 79 79 VAL CA C 79 66.500 66.500 61.449 5.051 19452 3010 1 6 . 1 1 79 79 VAL CB C 79 30.500 30.500 33.609 -3.109 19452 3011 1 6 . 1 1 79 79 VAL H H 79 8.130 8.130 8.832 -0.702 19452 3012 1 6 . 1 1 80 80 ALA N N 80 121.800 121.800 129.253 -7.453 19452 3013 1 6 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.172 -0.662 19452 3014 1 6 . 1 1 80 80 ALA C C 80 179.600 179.600 177.336 2.264 19452 3015 1 6 . 1 1 80 80 ALA CA C 80 54.900 54.900 53.594 1.306 19452 3016 1 6 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.451 -2.151 19452 3017 1 6 . 1 1 80 80 ALA H H 80 9.250 9.250 8.628 0.622 19452 3018 1 6 . 1 1 81 81 THR N N 81 113.200 113.200 112.646 0.554 19452 3019 1 6 . 1 1 81 81 THR HA H 81 3.960 3.960 4.450 -0.490 19452 3020 1 6 . 1 1 81 81 THR C C 81 177.700 177.700 174.095 3.605 19452 3021 1 6 . 1 1 81 81 THR CA C 81 66.400 66.400 60.372 6.028 19452 3022 1 6 . 1 1 81 81 THR CB C 81 68.500 68.500 69.072 -0.572 19452 3023 1 6 . 1 1 81 81 THR H H 81 7.990 7.990 7.854 0.136 19452 3024 1 6 . 1 1 82 82 GLN N N 82 123.800 123.800 121.597 2.203 19452 3025 1 6 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.011 -0.161 19452 3026 1 6 . 1 1 82 82 GLN C C 82 177.900 177.900 175.609 2.291 19452 3027 1 6 . 1 1 82 82 GLN CA C 82 58.900 58.900 57.641 1.259 19452 3028 1 6 . 1 1 82 82 GLN CB C 82 28.000 28.000 29.363 -1.363 19452 3029 1 6 . 1 1 82 82 GLN H H 82 8.170 8.170 8.413 -0.243 19452 3030 1 6 . 1 1 83 83 TYR N N 83 112.900 112.900 114.426 -1.526 19452 3031 1 6 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.733 -0.303 19452 3032 1 6 . 1 1 83 83 TYR C C 83 175.300 175.300 175.468 -0.168 19452 3033 1 6 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.957 0.043 19452 3034 1 6 . 1 1 83 83 TYR CB C 83 38.500 38.500 39.338 -0.838 19452 3035 1 6 . 1 1 83 83 TYR H H 83 7.780 7.780 8.066 -0.286 19452 3036 1 6 . 1 1 84 84 GLY N N 84 110.200 110.200 108.564 1.636 19452 3037 1 6 . 1 1 84 84 GLY C C 84 175.300 175.300 173.567 1.733 19452 3038 1 6 . 1 1 84 84 GLY CA C 84 47.100 47.100 46.019 1.081 19452 3039 1 6 . 1 1 84 84 GLY H H 84 7.670 7.670 8.379 -0.709 19452 3040 1 6 . 1 1 85 85 VAL N N 85 121.300 121.300 119.671 1.629 19452 3041 1 6 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.342 -0.472 19452 3042 1 6 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.181 1.819 19452 3043 1 6 . 1 1 85 85 VAL CB C 85 30.500 30.500 35.231 -4.731 19452 3044 1 6 . 1 1 85 85 VAL H H 85 8.500 8.500 7.720 0.780 19452 3045 1 6 . 1 1 90 90 THR HA H 90 5.170 5.170 3.980 1.190 19452 3046 1 6 . 1 1 90 90 THR C C 90 172.300 172.300 176.587 -4.287 19452 3047 1 6 . 1 1 90 90 THR CA C 90 63.500 63.500 64.441 -0.941 19452 3048 1 6 . 1 1 90 90 THR CB C 90 73.300 73.300 68.284 5.016 19452 3049 1 6 . 1 1 91 91 ILE N N 91 126.600 126.600 116.776 9.824 19452 3050 1 6 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.048 1.542 19452 3051 1 6 . 1 1 91 91 ILE C C 91 175.900 175.900 176.988 -1.088 19452 3052 1 6 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.403 -3.003 19452 3053 1 6 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.139 1.861 19452 3054 1 6 . 1 1 91 91 ILE H H 91 9.340 9.340 7.481 1.859 19452 3055 1 6 . 1 1 92 92 LEU N N 92 125.700 125.700 118.561 7.139 19452 3056 1 6 . 1 1 92 92 LEU HA H 92 5.120 5.120 3.942 1.178 19452 3057 1 6 . 1 1 92 92 LEU C C 92 176.100 176.100 176.569 -0.469 19452 3058 1 6 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.861 -1.761 19452 3059 1 6 . 1 1 92 92 LEU H H 92 9.120 9.120 7.923 1.197 19452 3060 1 6 . 1 1 93 93 MET N N 93 117.700 117.700 120.124 -2.424 19452 3061 1 6 . 1 1 93 93 MET HA H 93 5.860 5.860 4.705 1.155 19452 3062 1 6 . 1 1 93 93 MET C C 93 174.400 174.400 175.906 -1.506 19452 3063 1 6 . 1 1 93 93 MET CA C 93 54.400 54.400 54.105 0.295 19452 3064 1 6 . 1 1 93 93 MET CB C 93 34.100 34.100 31.561 2.539 19452 3065 1 6 . 1 1 93 93 MET H H 93 8.080 8.080 8.115 -0.035 19452 3066 1 6 . 1 1 94 94 PHE N N 94 123.300 123.300 122.652 0.648 19452 3067 1 6 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.086 1.484 19452 3068 1 6 . 1 1 94 94 PHE C C 94 174.800 174.800 176.034 -1.234 19452 3069 1 6 . 1 1 94 94 PHE CA C 94 55.900 55.900 60.064 -4.164 19452 3070 1 6 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.258 5.542 19452 3071 1 6 . 1 1 94 94 PHE H H 94 9.990 9.990 7.805 2.185 19452 3072 1 6 . 1 1 95 95 LYS N N 95 117.100 117.100 122.138 -5.038 19452 3073 1 6 . 1 1 95 95 LYS C C 95 176.500 176.500 175.256 1.244 19452 3074 1 6 . 1 1 95 95 LYS CA C 95 57.500 57.500 55.735 1.765 19452 3075 1 6 . 1 1 95 95 LYS CB C 95 37.200 37.200 33.904 3.296 19452 3076 1 6 . 1 1 95 95 LYS H H 95 8.630 8.630 7.773 0.857 19452 3077 1 6 . 1 1 96 96 ASN N N 96 130.400 130.400 115.976 14.424 19452 3078 1 6 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.534 0.286 19452 3079 1 6 . 1 1 96 96 ASN C C 96 175.900 175.900 173.206 2.694 19452 3080 1 6 . 1 1 96 96 ASN CA C 96 54.500 54.500 53.080 1.420 19452 3081 1 6 . 1 1 96 96 ASN CB C 96 36.900 36.900 38.104 -1.204 19452 3082 1 6 . 1 1 96 96 ASN H H 96 10.190 10.190 8.755 1.435 19452 3083 1 6 . 1 1 97 97 GLY C C 97 173.700 173.700 173.547 0.153 19452 3084 1 6 . 1 1 97 97 GLY CA C 97 46.000 46.000 44.796 1.204 19452 3085 1 6 . 1 1 98 98 LYS N N 98 120.300 120.300 119.460 0.840 19452 3086 1 6 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.601 0.139 19452 3087 1 6 . 1 1 98 98 LYS C C 98 175.500 175.500 175.001 0.499 19452 3088 1 6 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.865 -1.165 19452 3089 1 6 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.635 -2.435 19452 3090 1 6 . 1 1 98 98 LYS H H 98 7.840 7.840 8.101 -0.261 19452 3091 1 6 . 1 1 99 99 LYS N N 99 124.900 124.900 121.890 3.010 19452 3092 1 6 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.065 -1.455 19452 3093 1 6 . 1 1 99 99 LYS C C 99 176.300 176.300 174.737 1.563 19452 3094 1 6 . 1 1 99 99 LYS CA C 99 56.600 56.600 55.002 1.599 19452 3095 1 6 . 1 1 99 99 LYS CB C 99 31.500 31.500 35.004 -3.503 19452 3096 1 6 . 1 1 99 99 LYS H H 99 8.880 8.880 8.769 0.111 19452 3097 1 6 . 1 1 100 100 LEU N N 100 128.800 128.800 125.465 3.335 19452 3098 1 6 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.605 -0.165 19452 3099 1 6 . 1 1 100 100 LEU C C 100 177.400 177.400 175.289 2.111 19452 3100 1 6 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.625 1.675 19452 3101 1 6 . 1 1 100 100 LEU CB C 100 44.100 44.100 44.545 -0.445 19452 3102 1 6 . 1 1 100 100 LEU H H 100 9.320 9.320 8.591 0.729 19452 3103 1 6 . 1 1 101 101 SER N N 101 109.000 109.000 116.973 -7.973 19452 3104 1 6 . 1 1 101 101 SER HA H 101 4.550 4.550 4.906 -0.356 19452 3105 1 6 . 1 1 101 101 SER C C 101 172.400 172.400 173.357 -0.957 19452 3106 1 6 . 1 1 101 101 SER CA C 101 57.200 57.200 58.111 -0.911 19452 3107 1 6 . 1 1 101 101 SER CB C 101 64.400 64.400 64.175 0.225 19452 3108 1 6 . 1 1 101 101 SER H H 101 7.260 7.260 8.647 -1.387 19452 3109 1 6 . 1 1 102 102 GLN N N 102 119.900 119.900 123.727 -3.827 19452 3110 1 6 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.578 -0.358 19452 3111 1 6 . 1 1 102 102 GLN C C 102 173.800 173.800 174.694 -0.894 19452 3112 1 6 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.429 0.971 19452 3113 1 6 . 1 1 102 102 GLN CB C 102 31.800 31.800 33.074 -1.274 19452 3114 1 6 . 1 1 102 102 GLN H H 102 8.230 8.230 9.271 -1.041 19452 3115 1 6 . 1 1 103 103 VAL N N 103 123.800 123.800 120.159 3.641 19452 3116 1 6 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.392 -0.062 19452 3117 1 6 . 1 1 103 103 VAL C C 103 174.600 174.600 175.418 -0.818 19452 3118 1 6 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.620 -0.920 19452 3119 1 6 . 1 1 103 103 VAL CB C 103 34.600 34.600 34.648 -0.048 19452 3120 1 6 . 1 1 103 103 VAL H H 103 9.310 9.310 9.199 0.111 19452 3121 1 6 . 1 1 104 104 ILE N N 104 129.400 129.400 128.082 1.318 19452 3122 1 6 . 1 1 104 104 ILE C C 104 176.400 176.400 175.922 0.478 19452 3123 1 6 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.578 -1.078 19452 3124 1 6 . 1 1 104 104 ILE CB C 104 38.700 38.700 36.955 1.745 19452 3125 1 6 . 1 1 104 104 ILE H H 104 8.970 8.970 8.863 0.107 19452 3126 1 6 . 1 1 105 105 GLY N N 105 115.400 115.400 102.224 13.176 19452 3127 1 6 . 1 1 105 105 GLY C C 105 172.700 172.700 173.372 -0.672 19452 3128 1 6 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.091 -1.391 19452 3129 1 6 . 1 1 105 105 GLY H H 105 8.500 8.500 8.294 0.206 19452 3130 1 6 . 1 1 106 106 ALA N N 106 120.200 120.200 122.486 -2.286 19452 3131 1 6 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.755 -0.375 19452 3132 1 6 . 1 1 106 106 ALA C C 106 176.300 176.300 175.950 0.350 19452 3133 1 6 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.109 0.391 19452 3134 1 6 . 1 1 106 106 ALA CB C 106 18.400 18.400 21.640 -3.240 19452 3135 1 6 . 1 1 106 106 ALA H H 106 8.360 8.360 7.719 0.641 19452 3136 1 6 . 1 1 107 107 ASP N N 107 121.100 121.100 123.403 -2.303 19452 3137 1 6 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.512 -0.742 19452 3138 1 6 . 1 1 107 107 ASP C C 107 176.600 176.600 175.338 1.262 19452 3139 1 6 . 1 1 107 107 ASP CA C 107 52.600 52.600 53.417 -0.817 19452 3140 1 6 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.967 -1.367 19452 3141 1 6 . 1 1 107 107 ASP H H 107 7.610 7.610 8.681 -1.071 19452 3142 1 6 . 1 1 108 108 ILE N N 108 125.700 125.700 121.332 4.368 19452 3143 1 6 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.457 -0.447 19452 3144 1 6 . 1 1 108 108 ILE C C 108 176.400 176.400 176.100 0.300 19452 3145 1 6 . 1 1 108 108 ILE CA C 108 60.700 60.700 60.973 -0.273 19452 3146 1 6 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.141 0.160 19452 3147 1 6 . 1 1 108 108 ILE H H 108 8.550 8.550 8.602 -0.052 19452 3148 1 6 . 1 1 109 109 SER N N 109 117.700 117.700 111.311 6.389 19452 3149 1 6 . 1 1 109 109 SER HA H 109 4.180 4.180 4.587 -0.407 19452 3150 1 6 . 1 1 109 109 SER C C 109 177.300 177.300 172.124 5.176 19452 3151 1 6 . 1 1 109 109 SER CA C 109 61.700 61.700 58.260 3.440 19452 3152 1 6 . 1 1 109 109 SER CB C 109 62.100 62.100 65.436 -3.336 19452 3153 1 6 . 1 1 109 109 SER H H 109 8.330 8.330 7.364 0.966 19452 3154 1 6 . 1 1 110 110 LYS N N 110 123.200 123.200 120.285 2.915 19452 3155 1 6 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.709 -0.489 19452 3156 1 6 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.585 2.515 19452 3157 1 6 . 1 1 110 110 LYS CB C 110 32.300 32.300 33.926 -1.626 19452 3158 1 6 . 1 1 110 110 LYS H H 110 7.480 7.480 8.361 -0.881 19452 3159 1 6 . 1 1 111 111 ILE N N 111 119.300 119.300 125.944 -6.644 19452 3160 1 6 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.261 -0.231 19452 3161 1 6 . 1 1 111 111 ILE C C 111 177.200 177.200 174.656 2.544 19452 3162 1 6 . 1 1 111 111 ILE CA C 111 61.100 61.100 61.229 -0.129 19452 3163 1 6 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.380 -1.580 19452 3164 1 6 . 1 1 111 111 ILE H H 111 7.640 7.640 8.207 -0.567 19452 3165 1 6 . 1 1 112 112 ILE N N 112 118.700 118.700 127.069 -8.369 19452 3166 1 6 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.308 -0.878 19452 3167 1 6 . 1 1 112 112 ILE C C 112 177.700 177.700 175.796 1.904 19452 3168 1 6 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.728 5.372 19452 3169 1 6 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.116 0.384 19452 3170 1 6 . 1 1 112 112 ILE H H 112 8.410 8.410 8.488 -0.078 19452 3171 1 6 . 1 1 113 113 SER N N 113 113.800 113.800 122.317 -8.517 19452 3172 1 6 . 1 1 113 113 SER HA H 113 4.200 4.200 4.370 -0.170 19452 3173 1 6 . 1 1 113 113 SER C C 113 177.200 177.200 172.371 4.829 19452 3174 1 6 . 1 1 113 113 SER CA C 113 62.000 62.000 57.656 4.345 19452 3175 1 6 . 1 1 113 113 SER H H 113 7.920 7.920 8.508 -0.588 19452 3176 1 6 . 1 1 114 114 GLU N N 114 119.400 119.400 121.466 -2.066 19452 3177 1 6 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.655 -0.505 19452 3178 1 6 . 1 1 114 114 GLU C C 114 179.900 179.900 174.942 4.958 19452 3179 1 6 . 1 1 114 114 GLU CA C 114 58.500 58.500 56.233 2.267 19452 3180 1 6 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.532 -3.232 19452 3181 1 6 . 1 1 114 114 GLU H H 114 8.010 8.010 8.460 -0.450 19452 3182 1 6 . 1 1 115 115 ILE N N 115 121.700 121.700 124.752 -3.052 19452 3183 1 6 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.309 -0.929 19452 3184 1 6 . 1 1 115 115 ILE C C 115 178.100 178.100 176.105 1.995 19452 3185 1 6 . 1 1 115 115 ILE CA C 115 66.000 66.000 60.398 5.602 19452 3186 1 6 . 1 1 115 115 ILE CB C 115 37.700 37.700 39.553 -1.853 19452 3187 1 6 . 1 1 115 115 ILE H H 115 8.370 8.370 7.876 0.494 19452 3188 1 6 . 1 1 116 116 ASN N N 116 116.100 116.100 123.784 -7.684 19452 3189 1 6 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.374 -0.044 19452 3190 1 6 . 1 1 116 116 ASN C C 116 177.900 177.900 176.199 1.701 19452 3191 1 6 . 1 1 116 116 ASN CA C 116 55.900 55.900 54.992 0.908 19452 3192 1 6 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.971 -1.371 19452 3193 1 6 . 1 1 116 116 ASN H H 116 8.230 8.230 8.886 -0.656 19452 3194 1 6 . 1 1 117 117 ASN N N 117 115.400 115.400 116.863 -1.463 19452 3195 1 6 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.422 0.208 19452 3196 1 6 . 1 1 117 117 ASN C C 117 176.200 176.200 177.354 -1.154 19452 3197 1 6 . 1 1 117 117 ASN CA C 117 54.300 54.300 56.137 -1.837 19452 3198 1 6 . 1 1 117 117 ASN CB C 117 39.100 39.100 37.957 1.143 19452 3199 1 6 . 1 1 117 117 ASN H H 117 7.930 7.930 8.243 -0.313 19452 3200 1 6 . 1 1 118 118 ASN N N 118 115.400 115.400 121.265 -5.865 19452 3201 1 6 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.655 0.355 19452 3202 1 6 . 1 1 118 118 ASN C C 118 174.400 174.400 177.199 -2.799 19452 3203 1 6 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.252 -1.052 19452 3204 1 6 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.580 3.620 19452 3205 1 6 . 1 1 118 118 ASN H H 118 7.710 7.710 7.982 -0.272 19452 3206 1 6 . 1 1 119 119 ILE N N 119 117.300 117.300 118.382 -1.082 19452 3207 1 6 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.731 0.589 19452 3208 1 6 . 1 1 119 119 ILE C C 119 174.900 174.900 177.996 -3.096 19452 3209 1 6 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.556 -2.356 19452 3210 1 6 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.485 1.715 19452 3211 1 6 . 1 1 119 119 ILE H H 119 7.520 7.520 8.078 -0.558 19452 3212 1 6 . 1 1 120 120 ASN N N 120 124.900 124.900 114.426 10.474 19452 3213 1 6 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.555 -0.045 19452 3214 1 6 . 1 1 120 120 ASN CA C 120 55.000 55.000 55.852 -0.852 19452 3215 1 6 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.850 2.350 19452 3216 1 6 . 1 1 120 120 ASN H H 120 7.960 7.960 8.142 -0.181 19452 3217 1 7 . 1 1 2 2 GLY N N 2 109.900 109.900 108.815 1.085 19452 3218 1 7 . 1 1 2 2 GLY C C 2 174.400 174.400 175.310 -0.910 19452 3219 1 7 . 1 1 2 2 GLY CA C 2 45.600 45.600 44.929 0.671 19452 3220 1 7 . 1 1 2 2 GLY H H 2 8.480 8.480 8.038 0.442 19452 3221 1 7 . 1 1 3 3 THR N N 3 113.700 113.700 114.301 -0.601 19452 3222 1 7 . 1 1 3 3 THR C C 3 174.900 174.900 174.680 0.220 19452 3223 1 7 . 1 1 3 3 THR CA C 3 62.400 62.400 63.496 -1.096 19452 3224 1 7 . 1 1 3 3 THR CB C 3 70.000 70.000 69.190 0.810 19452 3225 1 7 . 1 1 3 3 THR H H 3 8.090 8.090 8.670 -0.580 19452 3226 1 7 . 1 1 4 4 LEU N N 4 124.100 124.100 116.057 8.043 19452 3227 1 7 . 1 1 4 4 LEU C C 4 177.600 177.600 175.435 2.165 19452 3228 1 7 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.355 1.345 19452 3229 1 7 . 1 1 4 4 LEU CB C 4 42.300 42.300 43.248 -0.948 19452 3230 1 7 . 1 1 4 4 LEU H H 4 8.400 8.400 7.244 1.156 19452 3231 1 7 . 1 1 5 5 GLU N N 5 121.600 121.600 122.229 -0.629 19452 3232 1 7 . 1 1 5 5 GLU C C 5 176.500 176.500 176.013 0.487 19452 3233 1 7 . 1 1 5 5 GLU CA C 5 57.000 57.000 56.164 0.836 19452 3234 1 7 . 1 1 5 5 GLU CB C 5 29.900 29.900 31.091 -1.191 19452 3235 1 7 . 1 1 5 5 GLU H H 5 8.430 8.430 8.690 -0.260 19452 3236 1 7 . 1 1 6 6 ALA N N 6 124.500 124.500 126.847 -2.347 19452 3237 1 7 . 1 1 6 6 ALA C C 6 177.900 177.900 176.708 1.192 19452 3238 1 7 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.139 1.762 19452 3239 1 7 . 1 1 6 6 ALA CB C 6 19.200 19.200 19.922 -0.722 19452 3240 1 7 . 1 1 6 6 ALA H H 6 8.330 8.330 8.362 -0.032 19452 3241 1 7 . 1 1 7 7 GLN N N 7 119.200 119.200 119.724 -0.524 19452 3242 1 7 . 1 1 7 7 GLN C C 7 176.400 176.400 175.425 0.975 19452 3243 1 7 . 1 1 7 7 GLN CA C 7 56.000 56.000 54.981 1.018 19452 3244 1 7 . 1 1 7 7 GLN CB C 7 29.200 29.200 30.060 -0.860 19452 3245 1 7 . 1 1 7 7 GLN H H 7 8.400 8.400 8.657 -0.257 19452 3246 1 7 . 1 1 8 8 THR N N 8 115.100 115.100 117.143 -2.043 19452 3247 1 7 . 1 1 8 8 THR C C 8 174.500 174.500 172.617 1.883 19452 3248 1 7 . 1 1 8 8 THR CA C 8 62.300 62.300 60.941 1.359 19452 3249 1 7 . 1 1 8 8 THR CB C 8 70.000 70.000 70.745 -0.745 19452 3250 1 7 . 1 1 8 8 THR H H 8 8.210 8.210 7.460 0.750 19452 3251 1 7 . 1 1 9 9 GLN N N 9 122.300 122.300 121.596 0.704 19452 3252 1 7 . 1 1 9 9 GLN C C 9 176.100 176.100 175.081 1.019 19452 3253 1 7 . 1 1 9 9 GLN CA C 9 55.900 55.900 55.570 0.330 19452 3254 1 7 . 1 1 9 9 GLN CB C 9 29.500 29.500 28.556 0.944 19452 3255 1 7 . 1 1 9 9 GLN H H 9 8.470 8.470 8.449 0.021 19452 3256 1 7 . 1 1 10 10 GLY N N 10 110.300 110.300 112.138 -1.838 19452 3257 1 7 . 1 1 10 10 GLY CA C 10 44.400 44.400 45.270 -0.870 19452 3258 1 7 . 1 1 10 10 GLY H H 10 8.360 8.360 8.512 -0.152 19452 3259 1 7 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.345 0.095 19452 3260 1 7 . 1 1 11 11 PRO C C 11 177.800 177.800 177.753 0.047 19452 3261 1 7 . 1 1 11 11 PRO CA C 11 63.300 63.300 62.916 0.384 19452 3262 1 7 . 1 1 11 11 PRO CB C 11 32.000 32.000 32.082 -0.082 19452 3263 1 7 . 1 1 12 12 GLY N N 12 109.600 109.600 108.436 1.164 19452 3264 1 7 . 1 1 12 12 GLY CA C 12 44.900 44.900 45.764 -0.864 19452 3265 1 7 . 1 1 12 12 GLY H H 12 8.600 8.600 8.284 0.316 19452 3266 1 7 . 1 1 13 13 SER N N 13 114.700 114.700 114.340 0.360 19452 3267 1 7 . 1 1 13 13 SER HA H 13 4.510 4.510 4.594 -0.084 19452 3268 1 7 . 1 1 13 13 SER C C 13 175.300 175.300 173.409 1.891 19452 3269 1 7 . 1 1 13 13 SER CA C 13 57.800 57.800 57.743 0.056 19452 3270 1 7 . 1 1 13 13 SER CB C 13 62.300 62.300 64.444 -2.144 19452 3271 1 7 . 1 1 13 13 SER H H 13 8.130 8.130 7.649 0.481 19452 3272 1 7 . 1 1 14 14 MET N N 14 124.300 124.300 123.077 1.223 19452 3273 1 7 . 1 1 14 14 MET HA H 14 4.470 4.470 4.744 -0.274 19452 3274 1 7 . 1 1 14 14 MET CA C 14 55.700 55.700 54.775 0.925 19452 3275 1 7 . 1 1 14 14 MET CB C 14 32.700 32.700 34.547 -1.847 19452 3276 1 7 . 1 1 14 14 MET H H 14 9.430 9.430 8.320 1.110 19452 3277 1 7 . 1 1 15 15 ILE N N 15 122.600 122.600 122.884 -0.284 19452 3278 1 7 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.090 -0.080 19452 3279 1 7 . 1 1 15 15 ILE C C 15 175.300 175.300 176.311 -1.011 19452 3280 1 7 . 1 1 15 15 ILE CA C 15 60.700 60.700 61.594 -0.894 19452 3281 1 7 . 1 1 15 15 ILE CB C 15 37.500 37.500 37.436 0.064 19452 3282 1 7 . 1 1 15 15 ILE H H 15 8.520 8.520 8.475 0.045 19452 3283 1 7 . 1 1 16 16 GLU N N 16 129.300 129.300 124.054 5.246 19452 3284 1 7 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.276 0.094 19452 3285 1 7 . 1 1 16 16 GLU C C 16 175.500 175.500 176.821 -1.321 19452 3286 1 7 . 1 1 16 16 GLU CA C 16 56.100 56.100 56.096 0.004 19452 3287 1 7 . 1 1 16 16 GLU CB C 16 31.400 31.400 29.458 1.942 19452 3288 1 7 . 1 1 16 16 GLU H H 16 8.220 8.220 8.816 -0.596 19452 3289 1 7 . 1 1 17 17 GLN N N 17 124.500 124.500 127.464 -2.964 19452 3290 1 7 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.404 0.716 19452 3291 1 7 . 1 1 17 17 GLN C C 17 176.000 176.000 175.092 0.908 19452 3292 1 7 . 1 1 17 17 GLN CA C 17 55.200 55.200 55.196 0.004 19452 3293 1 7 . 1 1 17 17 GLN CB C 17 30.400 30.400 27.760 2.640 19452 3294 1 7 . 1 1 17 17 GLN H H 17 8.810 8.810 8.495 0.315 19452 3295 1 7 . 1 1 18 18 ILE N N 18 118.700 118.700 122.959 -4.259 19452 3296 1 7 . 1 1 18 18 ILE C C 18 174.400 174.400 173.861 0.539 19452 3297 1 7 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.067 -1.467 19452 3298 1 7 . 1 1 18 18 ILE H H 18 8.840 8.840 7.612 1.228 19452 3299 1 7 . 1 1 19 19 GLY C C 19 174.800 174.800 174.181 0.619 19452 3300 1 7 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.766 -1.666 19452 3301 1 7 . 1 1 20 20 ASP N N 20 119.100 119.100 120.447 -1.347 19452 3302 1 7 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.643 -0.053 19452 3303 1 7 . 1 1 20 20 ASP C C 20 179.900 179.900 175.544 4.356 19452 3304 1 7 . 1 1 20 20 ASP CA C 20 58.000 58.000 54.045 3.955 19452 3305 1 7 . 1 1 20 20 ASP H H 20 8.090 8.090 8.335 -0.245 19452 3306 1 7 . 1 1 21 21 SER N N 21 112.000 112.000 117.966 -5.966 19452 3307 1 7 . 1 1 21 21 SER HA H 21 4.320 4.320 4.710 -0.390 19452 3308 1 7 . 1 1 21 21 SER CA C 21 60.700 60.700 57.878 2.822 19452 3309 1 7 . 1 1 21 21 SER CB C 21 62.500 62.500 64.092 -1.592 19452 3310 1 7 . 1 1 21 21 SER H H 21 8.750 8.750 8.228 0.522 19452 3311 1 7 . 1 1 22 22 GLU N N 22 119.000 119.000 124.589 -5.589 19452 3312 1 7 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.412 0.168 19452 3313 1 7 . 1 1 22 22 GLU C C 22 176.000 176.000 177.036 -1.036 19452 3314 1 7 . 1 1 22 22 GLU CA C 22 56.200 56.200 56.493 -0.293 19452 3315 1 7 . 1 1 22 22 GLU CB C 22 31.600 31.600 30.942 0.658 19452 3316 1 7 . 1 1 22 22 GLU H H 22 7.660 7.660 8.835 -1.175 19452 3317 1 7 . 1 1 23 23 PHE N N 23 120.900 120.900 120.748 0.152 19452 3318 1 7 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.560 -0.990 19452 3319 1 7 . 1 1 23 23 PHE C C 23 176.500 176.500 174.995 1.505 19452 3320 1 7 . 1 1 23 23 PHE CA C 23 63.100 63.100 58.207 4.893 19452 3321 1 7 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.082 1.618 19452 3322 1 7 . 1 1 23 23 PHE H H 23 7.490 7.490 7.773 -0.283 19452 3323 1 7 . 1 1 24 24 ASP N N 24 118.500 118.500 126.399 -7.899 19452 3324 1 7 . 1 1 24 24 ASP HA H 24 4.630 4.630 4.977 -0.347 19452 3325 1 7 . 1 1 24 24 ASP C C 24 178.400 178.400 174.969 3.431 19452 3326 1 7 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.463 4.237 19452 3327 1 7 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.643 -3.443 19452 3328 1 7 . 1 1 24 24 ASP H H 24 8.900 8.900 8.930 -0.030 19452 3329 1 7 . 1 1 25 25 ASN N N 25 117.200 117.200 118.584 -1.384 19452 3330 1 7 . 1 1 25 25 ASN HA H 25 4.200 4.200 5.433 -1.233 19452 3331 1 7 . 1 1 25 25 ASN C C 25 176.400 176.400 174.952 1.448 19452 3332 1 7 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.736 3.264 19452 3333 1 7 . 1 1 25 25 ASN CB C 25 39.000 39.000 39.867 -0.867 19452 3334 1 7 . 1 1 26 26 LYS N N 26 112.800 112.800 114.545 -1.745 19452 3335 1 7 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.838 -0.838 19452 3336 1 7 . 1 1 26 26 LYS C C 26 175.500 175.500 175.063 0.437 19452 3337 1 7 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.722 1.578 19452 3338 1 7 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.824 -2.824 19452 3339 1 7 . 1 1 26 26 LYS H H 26 7.730 7.730 8.668 -0.938 19452 3340 1 7 . 1 1 27 27 VAL N N 27 114.500 114.500 116.910 -2.410 19452 3341 1 7 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.310 -0.270 19452 3342 1 7 . 1 1 27 27 VAL C C 27 177.900 177.900 174.802 3.098 19452 3343 1 7 . 1 1 27 27 VAL CA C 27 63.700 63.700 60.995 2.705 19452 3344 1 7 . 1 1 27 27 VAL H H 27 7.680 7.680 8.160 -0.480 19452 3345 1 7 . 1 1 28 28 THR N N 28 110.000 110.000 113.024 -3.024 19452 3346 1 7 . 1 1 28 28 THR HA H 28 3.710 3.710 4.101 -0.391 19452 3347 1 7 . 1 1 28 28 THR C C 28 175.800 175.800 176.265 -0.465 19452 3348 1 7 . 1 1 28 28 THR CA C 28 65.200 65.200 65.227 -0.027 19452 3349 1 7 . 1 1 28 28 THR CB C 28 68.100 68.100 69.112 -1.012 19452 3350 1 7 . 1 1 28 28 THR H H 28 7.010 7.010 8.453 -1.443 19452 3351 1 7 . 1 1 29 29 SER N N 29 113.600 113.600 112.246 1.354 19452 3352 1 7 . 1 1 29 29 SER HA H 29 4.480 4.480 4.342 0.138 19452 3353 1 7 . 1 1 29 29 SER C C 29 174.200 174.200 175.417 -1.217 19452 3354 1 7 . 1 1 29 29 SER CA C 29 58.500 58.500 60.502 -2.002 19452 3355 1 7 . 1 1 29 29 SER CB C 29 63.300 63.300 63.136 0.164 19452 3356 1 7 . 1 1 29 29 SER H H 29 8.350 8.350 8.040 0.310 19452 3357 1 7 . 1 1 30 30 CYS N N 30 120.000 120.000 119.136 0.864 19452 3358 1 7 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.582 -0.462 19452 3359 1 7 . 1 1 30 30 CYS C C 30 174.200 174.200 175.984 -1.784 19452 3360 1 7 . 1 1 30 30 CYS CA C 30 69.700 69.700 59.167 10.533 19452 3361 1 7 . 1 1 30 30 CYS CB C 30 27.800 27.800 26.689 1.111 19452 3362 1 7 . 1 1 30 30 CYS H H 30 6.810 6.810 8.176 -1.366 19452 3363 1 7 . 1 1 31 31 ASN N N 31 124.300 124.300 120.664 3.636 19452 3364 1 7 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.265 0.845 19452 3365 1 7 . 1 1 31 31 ASN C C 31 174.900 174.900 176.098 -1.198 19452 3366 1 7 . 1 1 31 31 ASN CA C 31 52.400 52.400 56.741 -4.341 19452 3367 1 7 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.338 0.162 19452 3368 1 7 . 1 1 31 31 ASN H H 31 8.760 8.760 8.114 0.646 19452 3369 1 7 . 1 1 32 32 ASP N N 32 119.000 119.000 116.607 2.393 19452 3370 1 7 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.935 0.625 19452 3371 1 7 . 1 1 32 32 ASP C C 32 176.600 176.600 178.995 -2.395 19452 3372 1 7 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.705 -3.205 19452 3373 1 7 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.884 2.116 19452 3374 1 7 . 1 1 32 32 ASP H H 32 7.720 7.720 8.646 -0.926 19452 3375 1 7 . 1 1 33 33 ASN N N 33 115.400 115.400 117.742 -2.342 19452 3376 1 7 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.368 -0.198 19452 3377 1 7 . 1 1 33 33 ASN C C 33 173.700 173.700 176.104 -2.404 19452 3378 1 7 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.719 -1.419 19452 3379 1 7 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.656 -0.856 19452 3380 1 7 . 1 1 33 33 ASN H H 33 9.750 9.750 8.129 1.621 19452 3381 1 7 . 1 1 34 34 ILE N N 34 120.700 120.700 114.599 6.101 19452 3382 1 7 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.290 -0.270 19452 3383 1 7 . 1 1 34 34 ILE C C 34 175.500 175.500 177.228 -1.728 19452 3384 1 7 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.292 -2.892 19452 3385 1 7 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.193 -1.693 19452 3386 1 7 . 1 1 34 34 ILE H H 34 7.850 7.850 7.637 0.213 19452 3387 1 7 . 1 1 35 35 LEU N N 35 128.400 128.400 121.686 6.714 19452 3388 1 7 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.239 0.431 19452 3389 1 7 . 1 1 35 35 LEU C C 35 173.700 173.700 178.216 -4.516 19452 3390 1 7 . 1 1 35 35 LEU CA C 35 54.900 54.900 57.957 -3.057 19452 3391 1 7 . 1 1 35 35 LEU CB C 35 42.400 42.400 42.021 0.379 19452 3392 1 7 . 1 1 35 35 LEU H H 35 8.100 8.100 8.050 0.050 19452 3393 1 7 . 1 1 36 36 ILE N N 36 128.800 128.800 121.388 7.412 19452 3394 1 7 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.771 1.279 19452 3395 1 7 . 1 1 36 36 ILE C C 36 175.800 175.800 178.176 -2.376 19452 3396 1 7 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.979 -5.179 19452 3397 1 7 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.110 2.790 19452 3398 1 7 . 1 1 36 36 ILE H H 36 9.320 9.320 7.684 1.636 19452 3399 1 7 . 1 1 37 37 LEU N N 37 129.600 129.600 120.681 8.919 19452 3400 1 7 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.187 1.083 19452 3401 1 7 . 1 1 37 37 LEU C C 37 175.500 175.500 176.552 -1.052 19452 3402 1 7 . 1 1 37 37 LEU CA C 37 54.000 54.000 55.819 -1.819 19452 3403 1 7 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.190 2.610 19452 3404 1 7 . 1 1 37 37 LEU H H 37 9.400 9.400 7.740 1.660 19452 3405 1 7 . 1 1 38 38 VAL N N 38 120.100 120.100 122.825 -2.725 19452 3406 1 7 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.938 0.652 19452 3407 1 7 . 1 1 38 38 VAL C C 38 174.000 174.000 176.073 -2.073 19452 3408 1 7 . 1 1 38 38 VAL CA C 38 61.100 61.100 64.013 -2.913 19452 3409 1 7 . 1 1 38 38 VAL CB C 38 33.500 33.500 31.409 2.091 19452 3410 1 7 . 1 1 38 38 VAL H H 38 9.440 9.440 7.589 1.851 19452 3411 1 7 . 1 1 39 39 ASP N N 39 125.600 125.600 127.122 -1.522 19452 3412 1 7 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.773 0.397 19452 3413 1 7 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.545 -2.645 19452 3414 1 7 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.202 -2.401 19452 3415 1 7 . 1 1 39 39 ASP H H 39 9.240 9.240 8.592 0.648 19452 3416 1 7 . 1 1 40 40 PHE N N 40 119.600 119.600 119.074 0.526 19452 3417 1 7 . 1 1 40 40 PHE H H 40 8.860 8.860 7.876 0.984 19452 3418 1 7 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.275 0.135 19452 3419 1 7 . 1 1 53 53 PRO CA C 53 65.500 65.500 63.191 2.309 19452 3420 1 7 . 1 1 53 53 PRO CB C 53 30.800 30.800 29.593 1.207 19452 3421 1 7 . 1 1 54 54 GLN N N 54 115.300 115.300 120.099 -4.799 19452 3422 1 7 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.336 -0.136 19452 3423 1 7 . 1 1 54 54 GLN C C 54 179.400 179.400 173.281 6.119 19452 3424 1 7 . 1 1 54 54 GLN CA C 54 58.000 58.000 54.486 3.514 19452 3425 1 7 . 1 1 54 54 GLN H H 54 7.080 7.080 7.631 -0.551 19452 3426 1 7 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.318 -0.328 19452 3427 1 7 . 1 1 55 55 LEU C C 55 178.700 178.700 176.094 2.606 19452 3428 1 7 . 1 1 55 55 LEU CA C 55 57.300 57.300 55.045 2.255 19452 3429 1 7 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.312 -1.012 19452 3430 1 7 . 1 1 56 56 GLU N N 56 118.900 118.900 121.328 -2.428 19452 3431 1 7 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.322 -0.482 19452 3432 1 7 . 1 1 56 56 GLU C C 56 179.100 179.100 177.436 1.664 19452 3433 1 7 . 1 1 56 56 GLU CA C 56 59.500 59.500 56.539 2.961 19452 3434 1 7 . 1 1 56 56 GLU CB C 56 29.000 29.000 30.923 -1.923 19452 3435 1 7 . 1 1 56 56 GLU H H 56 8.150 8.150 7.816 0.334 19452 3436 1 7 . 1 1 57 57 LYS N N 57 117.000 117.000 124.465 -7.465 19452 3437 1 7 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.187 -0.117 19452 3438 1 7 . 1 1 57 57 LYS C C 57 179.800 179.800 176.269 3.531 19452 3439 1 7 . 1 1 57 57 LYS CA C 57 59.000 59.000 57.271 1.729 19452 3440 1 7 . 1 1 57 57 LYS CB C 57 31.900 31.900 32.664 -0.764 19452 3441 1 7 . 1 1 57 57 LYS H H 57 7.160 7.160 8.636 -1.476 19452 3442 1 7 . 1 1 58 58 LEU N N 58 119.900 119.900 116.959 2.941 19452 3443 1 7 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.093 0.107 19452 3444 1 7 . 1 1 58 58 LEU C C 58 178.700 178.700 176.545 2.155 19452 3445 1 7 . 1 1 58 58 LEU CA C 58 57.700 57.700 55.906 1.794 19452 3446 1 7 . 1 1 58 58 LEU CB C 58 41.700 41.700 40.950 0.750 19452 3447 1 7 . 1 1 58 58 LEU H H 58 7.650 7.650 8.183 -0.533 19452 3448 1 7 . 1 1 59 59 ALA N N 59 120.700 120.700 122.628 -1.928 19452 3449 1 7 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.522 -0.662 19452 3450 1 7 . 1 1 59 59 ALA C C 59 180.000 180.000 177.968 2.032 19452 3451 1 7 . 1 1 59 59 ALA CA C 59 54.600 54.600 52.948 1.652 19452 3452 1 7 . 1 1 59 59 ALA CB C 59 18.000 18.000 19.474 -1.474 19452 3453 1 7 . 1 1 59 59 ALA H H 59 8.440 8.440 7.741 0.699 19452 3454 1 7 . 1 1 60 60 GLN N N 60 113.100 113.100 118.238 -5.138 19452 3455 1 7 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.249 -0.189 19452 3456 1 7 . 1 1 60 60 GLN C C 60 177.800 177.800 175.131 2.669 19452 3457 1 7 . 1 1 60 60 GLN CA C 60 57.500 57.500 55.376 2.124 19452 3458 1 7 . 1 1 60 60 GLN CB C 60 28.800 28.800 28.187 0.613 19452 3459 1 7 . 1 1 60 60 GLN H H 60 7.340 7.340 8.441 -1.101 19452 3460 1 7 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.255 -0.225 19452 3461 1 7 . 1 1 61 61 GLN C C 61 177.300 177.300 176.605 0.695 19452 3462 1 7 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.199 0.601 19452 3463 1 7 . 1 1 61 61 GLN CB C 61 29.000 29.000 28.936 0.064 19452 3464 1 7 . 1 1 62 62 TYR N N 62 117.300 117.300 118.849 -1.549 19452 3465 1 7 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.302 0.678 19452 3466 1 7 . 1 1 62 62 TYR C C 62 175.800 175.800 178.331 -2.531 19452 3467 1 7 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.432 -4.332 19452 3468 1 7 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.727 0.173 19452 3469 1 7 . 1 1 62 62 TYR H H 62 7.950 7.950 8.742 -0.792 19452 3470 1 7 . 1 1 63 63 THR N N 63 111.900 111.900 112.372 -0.472 19452 3471 1 7 . 1 1 63 63 THR HA H 63 4.190 4.190 4.021 0.169 19452 3472 1 7 . 1 1 63 63 THR C C 63 175.700 175.700 176.950 -1.250 19452 3473 1 7 . 1 1 63 63 THR CA C 63 64.600 64.600 65.688 -1.088 19452 3474 1 7 . 1 1 63 63 THR CB C 63 69.200 69.200 67.874 1.325 19452 3475 1 7 . 1 1 63 63 THR H H 63 7.110 7.110 7.594 -0.484 19452 3476 1 7 . 1 1 64 64 GLU N N 64 117.500 117.500 118.685 -1.185 19452 3477 1 7 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.979 0.321 19452 3478 1 7 . 1 1 64 64 GLU C C 64 177.400 177.400 179.036 -1.636 19452 3479 1 7 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.494 -1.494 19452 3480 1 7 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.192 0.908 19452 3481 1 7 . 1 1 64 64 GLU H H 64 8.610 8.610 7.875 0.735 19452 3482 1 7 . 1 1 65 65 ASN N N 65 113.300 113.300 118.532 -5.232 19452 3483 1 7 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.430 0.560 19452 3484 1 7 . 1 1 65 65 ASN C C 65 173.600 173.600 178.404 -4.804 19452 3485 1 7 . 1 1 65 65 ASN CA C 65 54.000 54.000 56.313 -2.313 19452 3486 1 7 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.393 2.707 19452 3487 1 7 . 1 1 65 65 ASN H H 65 8.050 8.050 8.245 -0.195 19452 3488 1 7 . 1 1 66 66 VAL N N 66 119.200 119.200 117.584 1.616 19452 3489 1 7 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.925 1.615 19452 3490 1 7 . 1 1 66 66 VAL C C 66 174.900 174.900 178.000 -3.100 19452 3491 1 7 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.296 -4.396 19452 3492 1 7 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.896 4.804 19452 3493 1 7 . 1 1 66 66 VAL H H 66 7.890 7.890 8.046 -0.156 19452 3494 1 7 . 1 1 67 67 LYS N N 67 127.600 127.600 119.583 8.017 19452 3495 1 7 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.882 0.678 19452 3496 1 7 . 1 1 67 67 LYS C C 67 173.600 173.600 178.563 -4.963 19452 3497 1 7 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.418 -5.318 19452 3498 1 7 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.686 4.514 19452 3499 1 7 . 1 1 67 67 LYS H H 67 8.700 8.700 8.273 0.427 19452 3500 1 7 . 1 1 68 68 ILE N N 68 123.200 123.200 115.887 7.313 19452 3501 1 7 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.886 0.694 19452 3502 1 7 . 1 1 68 68 ILE C C 68 173.900 173.900 179.043 -5.143 19452 3503 1 7 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.532 -3.033 19452 3504 1 7 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.972 0.528 19452 3505 1 7 . 1 1 68 68 ILE H H 68 8.770 8.770 7.668 1.102 19452 3506 1 7 . 1 1 69 69 TYR N N 69 124.400 124.400 118.389 6.011 19452 3507 1 7 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.201 1.459 19452 3508 1 7 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.222 -4.622 19452 3509 1 7 . 1 1 69 69 TYR CB C 69 43.400 43.400 39.105 4.295 19452 3510 1 7 . 1 1 69 69 TYR H H 69 9.060 9.060 7.649 1.411 19452 3511 1 7 . 1 1 73 73 ILE C C 73 177.400 177.400 173.790 3.610 19452 3512 1 7 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.242 1.358 19452 3513 1 7 . 1 1 74 74 GLU N N 74 121.800 121.800 119.175 2.625 19452 3514 1 7 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.833 -0.553 19452 3515 1 7 . 1 1 74 74 GLU C C 74 177.800 177.800 174.627 3.173 19452 3516 1 7 . 1 1 74 74 GLU CA C 74 58.900 58.900 55.148 3.752 19452 3517 1 7 . 1 1 74 74 GLU CB C 74 29.700 29.700 33.330 -3.630 19452 3518 1 7 . 1 1 74 74 GLU H H 74 8.560 8.560 7.857 0.703 19452 3519 1 7 . 1 1 75 75 ASP N N 75 114.200 114.200 123.792 -9.592 19452 3520 1 7 . 1 1 75 75 ASP C C 75 175.800 175.800 174.091 1.709 19452 3521 1 7 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.586 2.414 19452 3522 1 7 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.520 -2.720 19452 3523 1 7 . 1 1 75 75 ASP H H 75 6.840 6.840 8.876 -2.036 19452 3524 1 7 . 1 1 76 76 ASN N N 76 118.400 118.400 118.395 0.005 19452 3525 1 7 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.379 -0.359 19452 3526 1 7 . 1 1 76 76 ASN C C 76 174.000 174.000 173.289 0.711 19452 3527 1 7 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.320 1.380 19452 3528 1 7 . 1 1 76 76 ASN CB C 76 41.600 41.600 41.826 -0.226 19452 3529 1 7 . 1 1 76 76 ASN H H 76 7.600 7.600 8.201 -0.601 19452 3530 1 7 . 1 1 77 77 GLN N N 77 122.000 122.000 124.599 -2.599 19452 3531 1 7 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.915 -0.175 19452 3532 1 7 . 1 1 77 77 GLN C C 77 177.800 177.800 174.133 3.667 19452 3533 1 7 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.840 2.560 19452 3534 1 7 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.508 -2.908 19452 3535 1 7 . 1 1 77 77 GLN H H 77 9.040 9.040 9.036 0.004 19452 3536 1 7 . 1 1 78 78 ASP N N 78 125.900 125.900 118.439 7.461 19452 3537 1 7 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.561 -1.151 19452 3538 1 7 . 1 1 78 78 ASP C C 78 178.900 178.900 174.591 4.309 19452 3539 1 7 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.996 6.704 19452 3540 1 7 . 1 1 78 78 ASP CB C 78 40.000 40.000 44.103 -4.103 19452 3541 1 7 . 1 1 78 78 ASP H H 78 10.210 10.210 8.624 1.586 19452 3542 1 7 . 1 1 79 79 VAL N N 79 123.800 123.800 119.676 4.124 19452 3543 1 7 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.389 -0.899 19452 3544 1 7 . 1 1 79 79 VAL C C 79 178.400 178.400 175.670 2.730 19452 3545 1 7 . 1 1 79 79 VAL CA C 79 66.500 66.500 62.109 4.391 19452 3546 1 7 . 1 1 79 79 VAL CB C 79 30.500 30.500 33.470 -2.970 19452 3547 1 7 . 1 1 79 79 VAL H H 79 8.130 8.130 8.624 -0.494 19452 3548 1 7 . 1 1 80 80 ALA N N 80 121.800 121.800 121.117 0.683 19452 3549 1 7 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.118 -0.608 19452 3550 1 7 . 1 1 80 80 ALA C C 80 179.600 179.600 176.007 3.593 19452 3551 1 7 . 1 1 80 80 ALA CA C 80 54.900 54.900 53.485 1.415 19452 3552 1 7 . 1 1 80 80 ALA CB C 80 17.300 17.300 17.750 -0.450 19452 3553 1 7 . 1 1 80 80 ALA H H 80 9.250 9.250 8.351 0.899 19452 3554 1 7 . 1 1 81 81 THR N N 81 113.200 113.200 110.862 2.338 19452 3555 1 7 . 1 1 81 81 THR HA H 81 3.960 3.960 4.682 -0.722 19452 3556 1 7 . 1 1 81 81 THR C C 81 177.700 177.700 173.906 3.794 19452 3557 1 7 . 1 1 81 81 THR CA C 81 66.400 66.400 59.636 6.764 19452 3558 1 7 . 1 1 81 81 THR CB C 81 68.500 68.500 71.674 -3.174 19452 3559 1 7 . 1 1 81 81 THR H H 81 7.990 7.990 7.983 0.007 19452 3560 1 7 . 1 1 82 82 GLN N N 82 123.800 123.800 121.202 2.598 19452 3561 1 7 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.304 -0.454 19452 3562 1 7 . 1 1 82 82 GLN C C 82 177.900 177.900 175.778 2.122 19452 3563 1 7 . 1 1 82 82 GLN CA C 82 58.900 58.900 57.483 1.417 19452 3564 1 7 . 1 1 82 82 GLN CB C 82 28.000 28.000 29.457 -1.457 19452 3565 1 7 . 1 1 82 82 GLN H H 82 8.170 8.170 8.512 -0.342 19452 3566 1 7 . 1 1 83 83 TYR N N 83 112.900 112.900 114.877 -1.977 19452 3567 1 7 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.666 -0.236 19452 3568 1 7 . 1 1 83 83 TYR C C 83 175.300 175.300 176.213 -0.913 19452 3569 1 7 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.853 0.147 19452 3570 1 7 . 1 1 83 83 TYR CB C 83 38.500 38.500 39.147 -0.647 19452 3571 1 7 . 1 1 83 83 TYR H H 83 7.780 7.780 8.219 -0.439 19452 3572 1 7 . 1 1 84 84 GLY N N 84 110.200 110.200 109.426 0.774 19452 3573 1 7 . 1 1 84 84 GLY C C 84 175.300 175.300 173.467 1.833 19452 3574 1 7 . 1 1 84 84 GLY CA C 84 47.100 47.100 45.365 1.735 19452 3575 1 7 . 1 1 84 84 GLY H H 84 7.670 7.670 8.452 -0.782 19452 3576 1 7 . 1 1 85 85 VAL N N 85 121.300 121.300 118.987 2.313 19452 3577 1 7 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.378 -0.508 19452 3578 1 7 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.674 1.326 19452 3579 1 7 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.059 -2.559 19452 3580 1 7 . 1 1 85 85 VAL H H 85 8.500 8.500 7.795 0.705 19452 3581 1 7 . 1 1 90 90 THR HA H 90 5.170 5.170 3.977 1.193 19452 3582 1 7 . 1 1 90 90 THR C C 90 172.300 172.300 176.520 -4.220 19452 3583 1 7 . 1 1 90 90 THR CA C 90 63.500 63.500 64.345 -0.845 19452 3584 1 7 . 1 1 90 90 THR CB C 90 73.300 73.300 68.380 4.920 19452 3585 1 7 . 1 1 91 91 ILE N N 91 126.600 126.600 117.023 9.577 19452 3586 1 7 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.110 1.480 19452 3587 1 7 . 1 1 91 91 ILE C C 91 175.900 175.900 176.634 -0.734 19452 3588 1 7 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.423 -3.023 19452 3589 1 7 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.334 1.666 19452 3590 1 7 . 1 1 91 91 ILE H H 91 9.340 9.340 7.680 1.660 19452 3591 1 7 . 1 1 92 92 LEU N N 92 125.700 125.700 119.445 6.255 19452 3592 1 7 . 1 1 92 92 LEU HA H 92 5.120 5.120 3.925 1.196 19452 3593 1 7 . 1 1 92 92 LEU C C 92 176.100 176.100 175.988 0.112 19452 3594 1 7 . 1 1 92 92 LEU CA C 92 53.100 53.100 55.049 -1.949 19452 3595 1 7 . 1 1 92 92 LEU H H 92 9.120 9.120 7.652 1.468 19452 3596 1 7 . 1 1 93 93 MET N N 93 117.700 117.700 120.192 -2.492 19452 3597 1 7 . 1 1 93 93 MET HA H 93 5.860 5.860 4.641 1.219 19452 3598 1 7 . 1 1 93 93 MET C C 93 174.400 174.400 175.997 -1.597 19452 3599 1 7 . 1 1 93 93 MET CA C 93 54.400 54.400 54.359 0.041 19452 3600 1 7 . 1 1 93 93 MET CB C 93 34.100 34.100 33.445 0.655 19452 3601 1 7 . 1 1 93 93 MET H H 93 8.080 8.080 8.020 0.060 19452 3602 1 7 . 1 1 94 94 PHE N N 94 123.300 123.300 127.150 -3.850 19452 3603 1 7 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.338 1.232 19452 3604 1 7 . 1 1 94 94 PHE C C 94 174.800 174.800 176.216 -1.416 19452 3605 1 7 . 1 1 94 94 PHE CA C 94 55.900 55.900 57.596 -1.696 19452 3606 1 7 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.799 5.001 19452 3607 1 7 . 1 1 94 94 PHE H H 94 9.990 9.990 8.530 1.460 19452 3608 1 7 . 1 1 95 95 LYS N N 95 117.100 117.100 121.726 -4.626 19452 3609 1 7 . 1 1 95 95 LYS C C 95 176.500 176.500 175.516 0.984 19452 3610 1 7 . 1 1 95 95 LYS CA C 95 57.500 57.500 56.782 0.718 19452 3611 1 7 . 1 1 95 95 LYS CB C 95 37.200 37.200 30.534 6.666 19452 3612 1 7 . 1 1 95 95 LYS H H 95 8.630 8.630 8.462 0.168 19452 3613 1 7 . 1 1 96 96 ASN N N 96 130.400 130.400 114.773 15.627 19452 3614 1 7 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.570 0.250 19452 3615 1 7 . 1 1 96 96 ASN C C 96 175.900 175.900 172.778 3.122 19452 3616 1 7 . 1 1 96 96 ASN CA C 96 54.500 54.500 49.118 5.382 19452 3617 1 7 . 1 1 96 96 ASN CB C 96 36.900 36.900 40.520 -3.620 19452 3618 1 7 . 1 1 96 96 ASN H H 96 10.190 10.190 7.944 2.246 19452 3619 1 7 . 1 1 97 97 GLY C C 97 173.700 173.700 173.841 -0.141 19452 3620 1 7 . 1 1 97 97 GLY CA C 97 46.000 46.000 44.364 1.636 19452 3621 1 7 . 1 1 98 98 LYS N N 98 120.300 120.300 122.944 -2.644 19452 3622 1 7 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.620 0.120 19452 3623 1 7 . 1 1 98 98 LYS C C 98 175.500 175.500 175.162 0.338 19452 3624 1 7 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.500 -0.800 19452 3625 1 7 . 1 1 98 98 LYS CB C 98 34.200 34.200 35.972 -1.772 19452 3626 1 7 . 1 1 98 98 LYS H H 98 7.840 7.840 8.179 -0.339 19452 3627 1 7 . 1 1 99 99 LYS N N 99 124.900 124.900 120.977 3.923 19452 3628 1 7 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.134 -1.524 19452 3629 1 7 . 1 1 99 99 LYS C C 99 176.300 176.300 174.759 1.541 19452 3630 1 7 . 1 1 99 99 LYS CA C 99 56.600 56.600 55.092 1.508 19452 3631 1 7 . 1 1 99 99 LYS CB C 99 31.500 31.500 36.181 -4.681 19452 3632 1 7 . 1 1 99 99 LYS H H 99 8.880 8.880 8.718 0.162 19452 3633 1 7 . 1 1 100 100 LEU N N 100 128.800 128.800 124.026 4.774 19452 3634 1 7 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.566 -0.126 19452 3635 1 7 . 1 1 100 100 LEU C C 100 177.400 177.400 175.120 2.280 19452 3636 1 7 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.556 1.744 19452 3637 1 7 . 1 1 100 100 LEU CB C 100 44.100 44.100 46.030 -1.930 19452 3638 1 7 . 1 1 100 100 LEU H H 100 9.320 9.320 8.590 0.730 19452 3639 1 7 . 1 1 101 101 SER N N 101 109.000 109.000 117.399 -8.399 19452 3640 1 7 . 1 1 101 101 SER HA H 101 4.550 4.550 4.956 -0.406 19452 3641 1 7 . 1 1 101 101 SER C C 101 172.400 172.400 173.176 -0.776 19452 3642 1 7 . 1 1 101 101 SER CA C 101 57.200 57.200 58.022 -0.822 19452 3643 1 7 . 1 1 101 101 SER CB C 101 64.400 64.400 63.796 0.604 19452 3644 1 7 . 1 1 101 101 SER H H 101 7.260 7.260 8.666 -1.406 19452 3645 1 7 . 1 1 102 102 GLN N N 102 119.900 119.900 123.614 -3.714 19452 3646 1 7 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.640 -0.420 19452 3647 1 7 . 1 1 102 102 GLN C C 102 173.800 173.800 174.765 -0.965 19452 3648 1 7 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.433 0.967 19452 3649 1 7 . 1 1 102 102 GLN CB C 102 31.800 31.800 33.289 -1.489 19452 3650 1 7 . 1 1 102 102 GLN H H 102 8.230 8.230 9.061 -0.831 19452 3651 1 7 . 1 1 103 103 VAL N N 103 123.800 123.800 118.704 5.096 19452 3652 1 7 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.405 -0.075 19452 3653 1 7 . 1 1 103 103 VAL C C 103 174.600 174.600 175.186 -0.586 19452 3654 1 7 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.325 -0.625 19452 3655 1 7 . 1 1 103 103 VAL CB C 103 34.600 34.600 34.710 -0.110 19452 3656 1 7 . 1 1 103 103 VAL H H 103 9.310 9.310 9.154 0.156 19452 3657 1 7 . 1 1 104 104 ILE N N 104 129.400 129.400 124.219 5.181 19452 3658 1 7 . 1 1 104 104 ILE C C 104 176.400 176.400 176.277 0.123 19452 3659 1 7 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.147 -0.647 19452 3660 1 7 . 1 1 104 104 ILE CB C 104 38.700 38.700 37.222 1.478 19452 3661 1 7 . 1 1 104 104 ILE H H 104 8.970 8.970 8.777 0.193 19452 3662 1 7 . 1 1 105 105 GLY N N 105 115.400 115.400 100.731 14.669 19452 3663 1 7 . 1 1 105 105 GLY C C 105 172.700 172.700 173.831 -1.131 19452 3664 1 7 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.396 -1.696 19452 3665 1 7 . 1 1 105 105 GLY H H 105 8.500 8.500 8.472 0.028 19452 3666 1 7 . 1 1 106 106 ALA N N 106 120.200 120.200 122.644 -2.444 19452 3667 1 7 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.731 -0.351 19452 3668 1 7 . 1 1 106 106 ALA C C 106 176.300 176.300 176.005 0.295 19452 3669 1 7 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.545 -0.045 19452 3670 1 7 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.563 -4.163 19452 3671 1 7 . 1 1 106 106 ALA H H 106 8.360 8.360 7.921 0.439 19452 3672 1 7 . 1 1 107 107 ASP N N 107 121.100 121.100 123.346 -2.246 19452 3673 1 7 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.392 -0.622 19452 3674 1 7 . 1 1 107 107 ASP C C 107 176.600 176.600 175.425 1.175 19452 3675 1 7 . 1 1 107 107 ASP CA C 107 52.600 52.600 54.059 -1.459 19452 3676 1 7 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.633 -1.033 19452 3677 1 7 . 1 1 107 107 ASP H H 107 7.610 7.610 8.717 -1.107 19452 3678 1 7 . 1 1 108 108 ILE N N 108 125.700 125.700 122.764 2.936 19452 3679 1 7 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.323 -0.313 19452 3680 1 7 . 1 1 108 108 ILE C C 108 176.400 176.400 175.604 0.796 19452 3681 1 7 . 1 1 108 108 ILE CA C 108 60.700 60.700 61.546 -0.846 19452 3682 1 7 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.826 -0.526 19452 3683 1 7 . 1 1 108 108 ILE H H 108 8.550 8.550 8.520 0.030 19452 3684 1 7 . 1 1 109 109 SER N N 109 117.700 117.700 110.691 7.009 19452 3685 1 7 . 1 1 109 109 SER HA H 109 4.180 4.180 4.648 -0.468 19452 3686 1 7 . 1 1 109 109 SER C C 109 177.300 177.300 171.698 5.602 19452 3687 1 7 . 1 1 109 109 SER CA C 109 61.700 61.700 57.955 3.745 19452 3688 1 7 . 1 1 109 109 SER CB C 109 62.100 62.100 65.856 -3.756 19452 3689 1 7 . 1 1 109 109 SER H H 109 8.330 8.330 7.449 0.881 19452 3690 1 7 . 1 1 110 110 LYS N N 110 123.200 123.200 119.953 3.247 19452 3691 1 7 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.649 -0.429 19452 3692 1 7 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.159 2.941 19452 3693 1 7 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.299 -1.999 19452 3694 1 7 . 1 1 110 110 LYS H H 110 7.480 7.480 8.328 -0.848 19452 3695 1 7 . 1 1 111 111 ILE N N 111 119.300 119.300 125.462 -6.162 19452 3696 1 7 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.232 -0.202 19452 3697 1 7 . 1 1 111 111 ILE C C 111 177.200 177.200 174.784 2.416 19452 3698 1 7 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.945 0.155 19452 3699 1 7 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.404 -1.604 19452 3700 1 7 . 1 1 111 111 ILE H H 111 7.640 7.640 8.178 -0.538 19452 3701 1 7 . 1 1 112 112 ILE N N 112 118.700 118.700 125.343 -6.643 19452 3702 1 7 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.263 -0.833 19452 3703 1 7 . 1 1 112 112 ILE C C 112 177.700 177.700 175.928 1.772 19452 3704 1 7 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.621 5.479 19452 3705 1 7 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.570 -0.070 19452 3706 1 7 . 1 1 112 112 ILE H H 112 8.410 8.410 8.366 0.044 19452 3707 1 7 . 1 1 113 113 SER N N 113 113.800 113.800 123.262 -9.462 19452 3708 1 7 . 1 1 113 113 SER HA H 113 4.200 4.200 4.329 -0.129 19452 3709 1 7 . 1 1 113 113 SER C C 113 177.200 177.200 172.387 4.813 19452 3710 1 7 . 1 1 113 113 SER CA C 113 62.000 62.000 57.712 4.288 19452 3711 1 7 . 1 1 113 113 SER H H 113 7.920 7.920 8.105 -0.185 19452 3712 1 7 . 1 1 114 114 GLU N N 114 119.400 119.400 121.591 -2.191 19452 3713 1 7 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.902 -0.752 19452 3714 1 7 . 1 1 114 114 GLU C C 114 179.900 179.900 174.968 4.932 19452 3715 1 7 . 1 1 114 114 GLU CA C 114 58.500 58.500 55.854 2.646 19452 3716 1 7 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.938 -3.638 19452 3717 1 7 . 1 1 114 114 GLU H H 114 8.010 8.010 8.542 -0.532 19452 3718 1 7 . 1 1 115 115 ILE N N 115 121.700 121.700 124.851 -3.151 19452 3719 1 7 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.428 -1.048 19452 3720 1 7 . 1 1 115 115 ILE C C 115 178.100 178.100 175.425 2.675 19452 3721 1 7 . 1 1 115 115 ILE CA C 115 66.000 66.000 61.160 4.840 19452 3722 1 7 . 1 1 115 115 ILE CB C 115 37.700 37.700 40.520 -2.820 19452 3723 1 7 . 1 1 115 115 ILE H H 115 8.370 8.370 8.062 0.308 19452 3724 1 7 . 1 1 116 116 ASN N N 116 116.100 116.100 125.229 -9.129 19452 3725 1 7 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.348 -0.017 19452 3726 1 7 . 1 1 116 116 ASN C C 116 177.900 177.900 175.873 2.027 19452 3727 1 7 . 1 1 116 116 ASN CA C 116 55.900 55.900 54.914 0.986 19452 3728 1 7 . 1 1 116 116 ASN CB C 116 37.600 37.600 39.131 -1.531 19452 3729 1 7 . 1 1 116 116 ASN H H 116 8.230 8.230 8.847 -0.617 19452 3730 1 7 . 1 1 117 117 ASN N N 117 115.400 115.400 117.328 -1.928 19452 3731 1 7 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.429 0.201 19452 3732 1 7 . 1 1 117 117 ASN C C 117 176.200 176.200 177.574 -1.374 19452 3733 1 7 . 1 1 117 117 ASN CA C 117 54.300 54.300 56.258 -1.958 19452 3734 1 7 . 1 1 117 117 ASN CB C 117 39.100 39.100 38.095 1.005 19452 3735 1 7 . 1 1 117 117 ASN H H 117 7.930 7.930 8.265 -0.335 19452 3736 1 7 . 1 1 118 118 ASN N N 118 115.400 115.400 121.174 -5.774 19452 3737 1 7 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.652 0.358 19452 3738 1 7 . 1 1 118 118 ASN C C 118 174.400 174.400 177.218 -2.818 19452 3739 1 7 . 1 1 118 118 ASN CA C 118 54.200 54.200 54.970 -0.770 19452 3740 1 7 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.628 3.572 19452 3741 1 7 . 1 1 118 118 ASN H H 118 7.710 7.710 7.774 -0.064 19452 3742 1 7 . 1 1 119 119 ILE N N 119 117.300 117.300 118.307 -1.007 19452 3743 1 7 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.720 0.600 19452 3744 1 7 . 1 1 119 119 ILE C C 119 174.900 174.900 177.952 -3.052 19452 3745 1 7 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.594 -2.394 19452 3746 1 7 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.463 1.737 19452 3747 1 7 . 1 1 119 119 ILE H H 119 7.520 7.520 8.085 -0.565 19452 3748 1 7 . 1 1 120 120 ASN N N 120 124.900 124.900 115.459 9.441 19452 3749 1 7 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.475 0.035 19452 3750 1 7 . 1 1 120 120 ASN CA C 120 55.000 55.000 56.359 -1.359 19452 3751 1 7 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.566 2.634 19452 3752 1 7 . 1 1 120 120 ASN H H 120 7.960 7.960 8.130 -0.170 19452 3753 1 8 . 1 1 2 2 GLY N N 2 109.900 109.900 109.769 0.131 19452 3754 1 8 . 1 1 2 2 GLY C C 2 174.400 174.400 174.200 0.200 19452 3755 1 8 . 1 1 2 2 GLY CA C 2 45.600 45.600 44.941 0.658 19452 3756 1 8 . 1 1 2 2 GLY H H 2 8.480 8.480 8.218 0.262 19452 3757 1 8 . 1 1 3 3 THR N N 3 113.700 113.700 114.704 -1.004 19452 3758 1 8 . 1 1 3 3 THR C C 3 174.900 174.900 173.918 0.982 19452 3759 1 8 . 1 1 3 3 THR CA C 3 62.400 62.400 62.340 0.060 19452 3760 1 8 . 1 1 3 3 THR CB C 3 70.000 70.000 69.729 0.271 19452 3761 1 8 . 1 1 3 3 THR H H 3 8.090 8.090 8.556 -0.466 19452 3762 1 8 . 1 1 4 4 LEU N N 4 124.100 124.100 120.960 3.140 19452 3763 1 8 . 1 1 4 4 LEU C C 4 177.600 177.600 175.595 2.005 19452 3764 1 8 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.574 1.126 19452 3765 1 8 . 1 1 4 4 LEU CB C 4 42.300 42.300 42.679 -0.379 19452 3766 1 8 . 1 1 4 4 LEU H H 4 8.400 8.400 8.189 0.211 19452 3767 1 8 . 1 1 5 5 GLU N N 5 121.600 121.600 124.966 -3.366 19452 3768 1 8 . 1 1 5 5 GLU C C 5 176.500 176.500 175.410 1.090 19452 3769 1 8 . 1 1 5 5 GLU CA C 5 57.000 57.000 55.924 1.076 19452 3770 1 8 . 1 1 5 5 GLU CB C 5 29.900 29.900 31.361 -1.461 19452 3771 1 8 . 1 1 5 5 GLU H H 5 8.430 8.430 8.658 -0.228 19452 3772 1 8 . 1 1 6 6 ALA N N 6 124.500 124.500 124.853 -0.353 19452 3773 1 8 . 1 1 6 6 ALA C C 6 177.900 177.900 176.421 1.479 19452 3774 1 8 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.178 1.722 19452 3775 1 8 . 1 1 6 6 ALA CB C 6 19.200 19.200 20.358 -1.158 19452 3776 1 8 . 1 1 6 6 ALA H H 6 8.330 8.330 7.738 0.592 19452 3777 1 8 . 1 1 7 7 GLN N N 7 119.200 119.200 122.749 -3.549 19452 3778 1 8 . 1 1 7 7 GLN C C 7 176.400 176.400 175.099 1.301 19452 3779 1 8 . 1 1 7 7 GLN CA C 7 56.000 56.000 55.344 0.656 19452 3780 1 8 . 1 1 7 7 GLN CB C 7 29.200 29.200 29.574 -0.374 19452 3781 1 8 . 1 1 7 7 GLN H H 7 8.400 8.400 8.559 -0.159 19452 3782 1 8 . 1 1 8 8 THR N N 8 115.100 115.100 114.286 0.814 19452 3783 1 8 . 1 1 8 8 THR C C 8 174.500 174.500 173.929 0.571 19452 3784 1 8 . 1 1 8 8 THR CA C 8 62.300 62.300 62.667 -0.367 19452 3785 1 8 . 1 1 8 8 THR CB C 8 70.000 70.000 69.794 0.206 19452 3786 1 8 . 1 1 8 8 THR H H 8 8.210 8.210 8.642 -0.432 19452 3787 1 8 . 1 1 9 9 GLN N N 9 122.300 122.300 118.737 3.563 19452 3788 1 8 . 1 1 9 9 GLN C C 9 176.100 176.100 174.970 1.130 19452 3789 1 8 . 1 1 9 9 GLN CA C 9 55.900 55.900 55.124 0.776 19452 3790 1 8 . 1 1 9 9 GLN CB C 9 29.500 29.500 31.481 -1.981 19452 3791 1 8 . 1 1 9 9 GLN H H 9 8.470 8.470 8.401 0.069 19452 3792 1 8 . 1 1 10 10 GLY N N 10 110.300 110.300 108.788 1.512 19452 3793 1 8 . 1 1 10 10 GLY CA C 10 44.400 44.400 44.632 -0.232 19452 3794 1 8 . 1 1 10 10 GLY H H 10 8.360 8.360 8.547 -0.187 19452 3795 1 8 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.636 -0.196 19452 3796 1 8 . 1 1 11 11 PRO C C 11 177.800 177.800 177.556 0.244 19452 3797 1 8 . 1 1 11 11 PRO CA C 11 63.300 63.300 61.961 1.339 19452 3798 1 8 . 1 1 11 11 PRO CB C 11 32.000 32.000 33.667 -1.667 19452 3799 1 8 . 1 1 12 12 GLY N N 12 109.600 109.600 110.621 -1.021 19452 3800 1 8 . 1 1 12 12 GLY CA C 12 44.900 44.900 46.277 -1.377 19452 3801 1 8 . 1 1 12 12 GLY H H 12 8.600 8.600 8.422 0.178 19452 3802 1 8 . 1 1 13 13 SER N N 13 114.700 114.700 115.815 -1.115 19452 3803 1 8 . 1 1 13 13 SER HA H 13 4.510 4.510 4.295 0.215 19452 3804 1 8 . 1 1 13 13 SER C C 13 175.300 175.300 173.998 1.302 19452 3805 1 8 . 1 1 13 13 SER CA C 13 57.800 57.800 58.381 -0.581 19452 3806 1 8 . 1 1 13 13 SER CB C 13 62.300 62.300 63.453 -1.153 19452 3807 1 8 . 1 1 13 13 SER H H 13 8.130 8.130 7.958 0.172 19452 3808 1 8 . 1 1 14 14 MET N N 14 124.300 124.300 121.873 2.427 19452 3809 1 8 . 1 1 14 14 MET HA H 14 4.470 4.470 4.308 0.162 19452 3810 1 8 . 1 1 14 14 MET CA C 14 55.700 55.700 56.377 -0.677 19452 3811 1 8 . 1 1 14 14 MET CB C 14 32.700 32.700 32.776 -0.076 19452 3812 1 8 . 1 1 14 14 MET H H 14 9.430 9.430 8.274 1.156 19452 3813 1 8 . 1 1 15 15 ILE N N 15 122.600 122.600 122.927 -0.327 19452 3814 1 8 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.008 0.002 19452 3815 1 8 . 1 1 15 15 ILE C C 15 175.300 175.300 176.237 -0.937 19452 3816 1 8 . 1 1 15 15 ILE CA C 15 60.700 60.700 62.130 -1.431 19452 3817 1 8 . 1 1 15 15 ILE CB C 15 37.500 37.500 38.378 -0.878 19452 3818 1 8 . 1 1 15 15 ILE H H 15 8.520 8.520 8.538 -0.018 19452 3819 1 8 . 1 1 16 16 GLU N N 16 129.300 129.300 117.090 12.210 19452 3820 1 8 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.010 0.360 19452 3821 1 8 . 1 1 16 16 GLU C C 16 175.500 175.500 175.921 -0.421 19452 3822 1 8 . 1 1 16 16 GLU CA C 16 56.100 56.100 57.083 -0.983 19452 3823 1 8 . 1 1 16 16 GLU CB C 16 31.400 31.400 28.452 2.948 19452 3824 1 8 . 1 1 16 16 GLU H H 16 8.220 8.220 8.305 -0.085 19452 3825 1 8 . 1 1 17 17 GLN N N 17 124.500 124.500 120.246 4.254 19452 3826 1 8 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.110 1.010 19452 3827 1 8 . 1 1 17 17 GLN C C 17 176.000 176.000 176.792 -0.792 19452 3828 1 8 . 1 1 17 17 GLN CA C 17 55.200 55.200 56.541 -1.341 19452 3829 1 8 . 1 1 17 17 GLN CB C 17 30.400 30.400 27.892 2.509 19452 3830 1 8 . 1 1 17 17 GLN H H 17 8.810 8.810 8.158 0.652 19452 3831 1 8 . 1 1 18 18 ILE N N 18 118.700 118.700 128.172 -9.472 19452 3832 1 8 . 1 1 18 18 ILE C C 18 174.400 174.400 174.588 -0.188 19452 3833 1 8 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.651 -2.051 19452 3834 1 8 . 1 1 18 18 ILE H H 18 8.840 8.840 8.333 0.507 19452 3835 1 8 . 1 1 19 19 GLY C C 19 174.800 174.800 174.109 0.691 19452 3836 1 8 . 1 1 19 19 GLY CA C 19 43.100 43.100 45.142 -2.042 19452 3837 1 8 . 1 1 20 20 ASP N N 20 119.100 119.100 120.593 -1.493 19452 3838 1 8 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.500 0.090 19452 3839 1 8 . 1 1 20 20 ASP C C 20 179.900 179.900 174.686 5.214 19452 3840 1 8 . 1 1 20 20 ASP CA C 20 58.000 58.000 53.515 4.485 19452 3841 1 8 . 1 1 20 20 ASP H H 20 8.090 8.090 8.078 0.012 19452 3842 1 8 . 1 1 21 21 SER N N 21 112.000 112.000 120.697 -8.697 19452 3843 1 8 . 1 1 21 21 SER HA H 21 4.320 4.320 4.962 -0.642 19452 3844 1 8 . 1 1 21 21 SER CA C 21 60.700 60.700 57.584 3.115 19452 3845 1 8 . 1 1 21 21 SER CB C 21 62.500 62.500 63.990 -1.490 19452 3846 1 8 . 1 1 21 21 SER H H 21 8.750 8.750 8.513 0.237 19452 3847 1 8 . 1 1 22 22 GLU N N 22 119.000 119.000 121.543 -2.543 19452 3848 1 8 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.259 0.321 19452 3849 1 8 . 1 1 22 22 GLU C C 22 176.000 176.000 177.617 -1.617 19452 3850 1 8 . 1 1 22 22 GLU CA C 22 56.200 56.200 57.727 -1.526 19452 3851 1 8 . 1 1 22 22 GLU CB C 22 31.600 31.600 30.269 1.331 19452 3852 1 8 . 1 1 22 22 GLU H H 22 7.660 7.660 8.456 -0.796 19452 3853 1 8 . 1 1 23 23 PHE N N 23 120.900 120.900 119.191 1.709 19452 3854 1 8 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.374 -0.804 19452 3855 1 8 . 1 1 23 23 PHE C C 23 176.500 176.500 175.540 0.960 19452 3856 1 8 . 1 1 23 23 PHE CA C 23 63.100 63.100 58.681 4.419 19452 3857 1 8 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.123 1.577 19452 3858 1 8 . 1 1 23 23 PHE H H 23 7.490 7.490 7.609 -0.119 19452 3859 1 8 . 1 1 24 24 ASP N N 24 118.500 118.500 127.020 -8.520 19452 3860 1 8 . 1 1 24 24 ASP HA H 24 4.630 4.630 5.090 -0.460 19452 3861 1 8 . 1 1 24 24 ASP C C 24 178.400 178.400 175.237 3.163 19452 3862 1 8 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.292 4.408 19452 3863 1 8 . 1 1 24 24 ASP CB C 24 40.200 40.200 44.058 -3.858 19452 3864 1 8 . 1 1 24 24 ASP H H 24 8.900 8.900 8.770 0.130 19452 3865 1 8 . 1 1 25 25 ASN N N 25 117.200 117.200 119.074 -1.874 19452 3866 1 8 . 1 1 25 25 ASN HA H 25 4.200 4.200 5.259 -1.059 19452 3867 1 8 . 1 1 25 25 ASN C C 25 176.400 176.400 175.229 1.171 19452 3868 1 8 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.599 3.401 19452 3869 1 8 . 1 1 25 25 ASN CB C 25 39.000 39.000 39.588 -0.588 19452 3870 1 8 . 1 1 26 26 LYS N N 26 112.800 112.800 117.965 -5.165 19452 3871 1 8 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.648 -0.648 19452 3872 1 8 . 1 1 26 26 LYS C C 26 175.500 175.500 174.798 0.702 19452 3873 1 8 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.472 1.827 19452 3874 1 8 . 1 1 26 26 LYS CB C 26 33.000 33.000 34.788 -1.788 19452 3875 1 8 . 1 1 26 26 LYS H H 26 7.730 7.730 7.995 -0.265 19452 3876 1 8 . 1 1 27 27 VAL N N 27 114.500 114.500 116.112 -1.612 19452 3877 1 8 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.383 -0.343 19452 3878 1 8 . 1 1 27 27 VAL C C 27 177.900 177.900 175.482 2.418 19452 3879 1 8 . 1 1 27 27 VAL CA C 27 63.700 63.700 60.675 3.025 19452 3880 1 8 . 1 1 27 27 VAL H H 27 7.680 7.680 8.095 -0.415 19452 3881 1 8 . 1 1 28 28 THR N N 28 110.000 110.000 112.813 -2.813 19452 3882 1 8 . 1 1 28 28 THR HA H 28 3.710 3.710 4.037 -0.327 19452 3883 1 8 . 1 1 28 28 THR C C 28 175.800 175.800 176.356 -0.556 19452 3884 1 8 . 1 1 28 28 THR CA C 28 65.200 65.200 64.938 0.262 19452 3885 1 8 . 1 1 28 28 THR CB C 28 68.100 68.100 69.010 -0.909 19452 3886 1 8 . 1 1 28 28 THR H H 28 7.010 7.010 8.348 -1.338 19452 3887 1 8 . 1 1 29 29 SER N N 29 113.600 113.600 113.705 -0.105 19452 3888 1 8 . 1 1 29 29 SER HA H 29 4.480 4.480 4.339 0.141 19452 3889 1 8 . 1 1 29 29 SER C C 29 174.200 174.200 175.642 -1.442 19452 3890 1 8 . 1 1 29 29 SER CA C 29 58.500 58.500 60.392 -1.892 19452 3891 1 8 . 1 1 29 29 SER CB C 29 63.300 63.300 62.926 0.374 19452 3892 1 8 . 1 1 29 29 SER H H 29 8.350 8.350 8.143 0.207 19452 3893 1 8 . 1 1 30 30 CYS N N 30 120.000 120.000 118.651 1.349 19452 3894 1 8 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.487 -0.367 19452 3895 1 8 . 1 1 30 30 CYS C C 30 174.200 174.200 176.113 -1.913 19452 3896 1 8 . 1 1 30 30 CYS CA C 30 69.700 69.700 59.114 10.586 19452 3897 1 8 . 1 1 30 30 CYS CB C 30 27.800 27.800 26.704 1.096 19452 3898 1 8 . 1 1 30 30 CYS H H 30 6.810 6.810 8.168 -1.358 19452 3899 1 8 . 1 1 31 31 ASN N N 31 124.300 124.300 120.624 3.676 19452 3900 1 8 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.214 0.896 19452 3901 1 8 . 1 1 31 31 ASN C C 31 174.900 174.900 176.036 -1.136 19452 3902 1 8 . 1 1 31 31 ASN CA C 31 52.400 52.400 56.765 -4.365 19452 3903 1 8 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.320 0.180 19452 3904 1 8 . 1 1 31 31 ASN H H 31 8.760 8.760 8.064 0.696 19452 3905 1 8 . 1 1 32 32 ASP N N 32 119.000 119.000 116.750 2.250 19452 3906 1 8 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.884 0.676 19452 3907 1 8 . 1 1 32 32 ASP C C 32 176.600 176.600 178.944 -2.344 19452 3908 1 8 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.679 -3.179 19452 3909 1 8 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.901 2.099 19452 3910 1 8 . 1 1 32 32 ASP H H 32 7.720 7.720 8.663 -0.943 19452 3911 1 8 . 1 1 33 33 ASN N N 33 115.400 115.400 117.891 -2.491 19452 3912 1 8 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.441 -0.271 19452 3913 1 8 . 1 1 33 33 ASN C C 33 173.700 173.700 176.404 -2.704 19452 3914 1 8 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.520 -1.220 19452 3915 1 8 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.617 -0.817 19452 3916 1 8 . 1 1 33 33 ASN H H 33 9.750 9.750 8.122 1.628 19452 3917 1 8 . 1 1 34 34 ILE N N 34 120.700 120.700 115.485 5.215 19452 3918 1 8 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.310 -0.290 19452 3919 1 8 . 1 1 34 34 ILE C C 34 175.500 175.500 177.032 -1.532 19452 3920 1 8 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.050 -2.650 19452 3921 1 8 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.606 -2.107 19452 3922 1 8 . 1 1 34 34 ILE H H 34 7.850 7.850 7.665 0.185 19452 3923 1 8 . 1 1 35 35 LEU N N 35 128.400 128.400 121.429 6.971 19452 3924 1 8 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.170 0.500 19452 3925 1 8 . 1 1 35 35 LEU C C 35 173.700 173.700 178.637 -4.937 19452 3926 1 8 . 1 1 35 35 LEU CA C 35 54.900 54.900 57.212 -2.312 19452 3927 1 8 . 1 1 35 35 LEU CB C 35 42.400 42.400 41.880 0.520 19452 3928 1 8 . 1 1 35 35 LEU H H 35 8.100 8.100 8.062 0.038 19452 3929 1 8 . 1 1 36 36 ILE N N 36 128.800 128.800 121.244 7.556 19452 3930 1 8 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.798 1.252 19452 3931 1 8 . 1 1 36 36 ILE C C 36 175.800 175.800 177.472 -1.672 19452 3932 1 8 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.841 -5.040 19452 3933 1 8 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.544 2.356 19452 3934 1 8 . 1 1 36 36 ILE H H 36 9.320 9.320 7.603 1.717 19452 3935 1 8 . 1 1 37 37 LEU N N 37 129.600 129.600 120.316 9.284 19452 3936 1 8 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.245 1.025 19452 3937 1 8 . 1 1 37 37 LEU C C 37 175.500 175.500 176.826 -1.326 19452 3938 1 8 . 1 1 37 37 LEU CA C 37 54.000 54.000 55.459 -1.459 19452 3939 1 8 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.377 2.422 19452 3940 1 8 . 1 1 37 37 LEU H H 37 9.400 9.400 7.714 1.686 19452 3941 1 8 . 1 1 38 38 VAL N N 38 120.100 120.100 123.250 -3.150 19452 3942 1 8 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.931 0.659 19452 3943 1 8 . 1 1 38 38 VAL C C 38 174.000 174.000 175.277 -1.277 19452 3944 1 8 . 1 1 38 38 VAL CA C 38 61.100 61.100 63.462 -2.361 19452 3945 1 8 . 1 1 38 38 VAL CB C 38 33.500 33.500 30.072 3.428 19452 3946 1 8 . 1 1 38 38 VAL H H 38 9.440 9.440 7.591 1.849 19452 3947 1 8 . 1 1 39 39 ASP N N 39 125.600 125.600 126.508 -0.908 19452 3948 1 8 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.716 0.454 19452 3949 1 8 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.277 -2.377 19452 3950 1 8 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.289 -2.489 19452 3951 1 8 . 1 1 39 39 ASP H H 39 9.240 9.240 8.449 0.791 19452 3952 1 8 . 1 1 40 40 PHE N N 40 119.600 119.600 119.450 0.150 19452 3953 1 8 . 1 1 40 40 PHE H H 40 8.860 8.860 7.973 0.887 19452 3954 1 8 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.387 0.023 19452 3955 1 8 . 1 1 53 53 PRO CA C 53 65.500 65.500 62.344 3.156 19452 3956 1 8 . 1 1 53 53 PRO CB C 53 30.800 30.800 31.270 -0.470 19452 3957 1 8 . 1 1 54 54 GLN N N 54 115.300 115.300 124.359 -9.059 19452 3958 1 8 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.502 -0.302 19452 3959 1 8 . 1 1 54 54 GLN C C 54 179.400 179.400 173.068 6.332 19452 3960 1 8 . 1 1 54 54 GLN CA C 54 58.000 58.000 55.516 2.484 19452 3961 1 8 . 1 1 54 54 GLN H H 54 7.080 7.080 8.137 -1.057 19452 3962 1 8 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.498 -0.508 19452 3963 1 8 . 1 1 55 55 LEU C C 55 178.700 178.700 175.882 2.818 19452 3964 1 8 . 1 1 55 55 LEU CA C 55 57.300 57.300 53.811 3.489 19452 3965 1 8 . 1 1 55 55 LEU CB C 55 41.300 41.300 43.215 -1.915 19452 3966 1 8 . 1 1 56 56 GLU N N 56 118.900 118.900 117.556 1.344 19452 3967 1 8 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.094 -0.254 19452 3968 1 8 . 1 1 56 56 GLU C C 56 179.100 179.100 177.137 1.963 19452 3969 1 8 . 1 1 56 56 GLU CA C 56 59.500 59.500 57.136 2.364 19452 3970 1 8 . 1 1 56 56 GLU CB C 56 29.000 29.000 29.332 -0.332 19452 3971 1 8 . 1 1 56 56 GLU H H 56 8.150 8.150 8.400 -0.250 19452 3972 1 8 . 1 1 57 57 LYS N N 57 117.000 117.000 121.419 -4.419 19452 3973 1 8 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.179 -0.109 19452 3974 1 8 . 1 1 57 57 LYS C C 57 179.800 179.800 175.981 3.819 19452 3975 1 8 . 1 1 57 57 LYS CA C 57 59.000 59.000 57.123 1.877 19452 3976 1 8 . 1 1 57 57 LYS CB C 57 31.900 31.900 30.888 1.012 19452 3977 1 8 . 1 1 57 57 LYS H H 57 7.160 7.160 8.086 -0.926 19452 3978 1 8 . 1 1 58 58 LEU N N 58 119.900 119.900 122.813 -2.913 19452 3979 1 8 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.403 -0.203 19452 3980 1 8 . 1 1 58 58 LEU C C 58 178.700 178.700 176.128 2.572 19452 3981 1 8 . 1 1 58 58 LEU CA C 58 57.700 57.700 54.956 2.744 19452 3982 1 8 . 1 1 58 58 LEU CB C 58 41.700 41.700 42.386 -0.686 19452 3983 1 8 . 1 1 58 58 LEU H H 58 7.650 7.650 8.126 -0.476 19452 3984 1 8 . 1 1 59 59 ALA N N 59 120.700 120.700 120.065 0.635 19452 3985 1 8 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.601 -0.741 19452 3986 1 8 . 1 1 59 59 ALA C C 59 180.000 180.000 175.637 4.363 19452 3987 1 8 . 1 1 59 59 ALA CA C 59 54.600 54.600 51.931 2.669 19452 3988 1 8 . 1 1 59 59 ALA CB C 59 18.000 18.000 21.579 -3.579 19452 3989 1 8 . 1 1 59 59 ALA H H 59 8.440 8.440 7.444 0.996 19452 3990 1 8 . 1 1 60 60 GLN N N 60 113.100 113.100 115.902 -2.802 19452 3991 1 8 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.591 -0.531 19452 3992 1 8 . 1 1 60 60 GLN C C 60 177.800 177.800 174.078 3.722 19452 3993 1 8 . 1 1 60 60 GLN CA C 60 57.500 57.500 54.784 2.716 19452 3994 1 8 . 1 1 60 60 GLN CB C 60 28.800 28.800 28.690 0.110 19452 3995 1 8 . 1 1 60 60 GLN H H 60 7.340 7.340 8.217 -0.877 19452 3996 1 8 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.390 -0.360 19452 3997 1 8 . 1 1 61 61 GLN C C 61 177.300 177.300 176.520 0.780 19452 3998 1 8 . 1 1 61 61 GLN CA C 61 57.800 57.800 56.873 0.927 19452 3999 1 8 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.203 -0.203 19452 4000 1 8 . 1 1 62 62 TYR N N 62 117.300 117.300 118.611 -1.311 19452 4001 1 8 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.290 0.690 19452 4002 1 8 . 1 1 62 62 TYR C C 62 175.800 175.800 178.341 -2.541 19452 4003 1 8 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.504 -4.404 19452 4004 1 8 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.719 0.181 19452 4005 1 8 . 1 1 62 62 TYR H H 62 7.950 7.950 8.789 -0.839 19452 4006 1 8 . 1 1 63 63 THR N N 63 111.900 111.900 112.669 -0.769 19452 4007 1 8 . 1 1 63 63 THR HA H 63 4.190 4.190 3.960 0.230 19452 4008 1 8 . 1 1 63 63 THR C C 63 175.700 175.700 176.856 -1.156 19452 4009 1 8 . 1 1 63 63 THR CA C 63 64.600 64.600 65.585 -0.985 19452 4010 1 8 . 1 1 63 63 THR CB C 63 69.200 69.200 68.446 0.754 19452 4011 1 8 . 1 1 63 63 THR H H 63 7.110 7.110 7.600 -0.490 19452 4012 1 8 . 1 1 64 64 GLU N N 64 117.500 117.500 118.196 -0.696 19452 4013 1 8 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.992 0.308 19452 4014 1 8 . 1 1 64 64 GLU C C 64 177.400 177.400 178.899 -1.499 19452 4015 1 8 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.245 -1.245 19452 4016 1 8 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.170 0.930 19452 4017 1 8 . 1 1 64 64 GLU H H 64 8.610 8.610 7.845 0.765 19452 4018 1 8 . 1 1 65 65 ASN N N 65 113.300 113.300 119.032 -5.732 19452 4019 1 8 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.432 0.558 19452 4020 1 8 . 1 1 65 65 ASN C C 65 173.600 173.600 178.122 -4.522 19452 4021 1 8 . 1 1 65 65 ASN CA C 65 54.000 54.000 56.316 -2.316 19452 4022 1 8 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.399 2.701 19452 4023 1 8 . 1 1 65 65 ASN H H 65 8.050 8.050 8.241 -0.191 19452 4024 1 8 . 1 1 66 66 VAL N N 66 119.200 119.200 117.091 2.109 19452 4025 1 8 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.968 1.572 19452 4026 1 8 . 1 1 66 66 VAL C C 66 174.900 174.900 177.941 -3.041 19452 4027 1 8 . 1 1 66 66 VAL CA C 66 59.900 59.900 63.967 -4.066 19452 4028 1 8 . 1 1 66 66 VAL CB C 66 35.700 35.700 31.000 4.700 19452 4029 1 8 . 1 1 66 66 VAL H H 66 7.890 7.890 8.049 -0.159 19452 4030 1 8 . 1 1 67 67 LYS N N 67 127.600 127.600 120.099 7.501 19452 4031 1 8 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.893 0.667 19452 4032 1 8 . 1 1 67 67 LYS C C 67 173.600 173.600 178.530 -4.930 19452 4033 1 8 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.529 -5.429 19452 4034 1 8 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.732 4.468 19452 4035 1 8 . 1 1 67 67 LYS H H 67 8.700 8.700 8.228 0.472 19452 4036 1 8 . 1 1 68 68 ILE N N 68 123.200 123.200 116.341 6.859 19452 4037 1 8 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.860 0.720 19452 4038 1 8 . 1 1 68 68 ILE C C 68 173.900 173.900 179.151 -5.251 19452 4039 1 8 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.749 -3.249 19452 4040 1 8 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.995 0.505 19452 4041 1 8 . 1 1 68 68 ILE H H 68 8.770 8.770 7.648 1.122 19452 4042 1 8 . 1 1 69 69 TYR N N 69 124.400 124.400 118.436 5.964 19452 4043 1 8 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.212 1.448 19452 4044 1 8 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.181 -4.581 19452 4045 1 8 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.728 4.672 19452 4046 1 8 . 1 1 69 69 TYR H H 69 9.060 9.060 7.531 1.529 19452 4047 1 8 . 1 1 73 73 ILE C C 73 177.400 177.400 173.705 3.695 19452 4048 1 8 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.090 1.510 19452 4049 1 8 . 1 1 74 74 GLU N N 74 121.800 121.800 119.415 2.385 19452 4050 1 8 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.694 -0.413 19452 4051 1 8 . 1 1 74 74 GLU C C 74 177.800 177.800 174.504 3.296 19452 4052 1 8 . 1 1 74 74 GLU CA C 74 58.900 58.900 55.257 3.643 19452 4053 1 8 . 1 1 74 74 GLU CB C 74 29.700 29.700 32.857 -3.157 19452 4054 1 8 . 1 1 74 74 GLU H H 74 8.560 8.560 7.747 0.813 19452 4055 1 8 . 1 1 75 75 ASP N N 75 114.200 114.200 125.802 -11.602 19452 4056 1 8 . 1 1 75 75 ASP C C 75 175.800 175.800 174.103 1.697 19452 4057 1 8 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.423 2.576 19452 4058 1 8 . 1 1 75 75 ASP CB C 75 42.800 42.800 44.961 -2.161 19452 4059 1 8 . 1 1 75 75 ASP H H 75 6.840 6.840 8.859 -2.019 19452 4060 1 8 . 1 1 76 76 ASN N N 76 118.400 118.400 119.040 -0.640 19452 4061 1 8 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.436 -0.416 19452 4062 1 8 . 1 1 76 76 ASN C C 76 174.000 174.000 173.424 0.576 19452 4063 1 8 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.253 1.447 19452 4064 1 8 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.486 -0.886 19452 4065 1 8 . 1 1 76 76 ASN H H 76 7.600 7.600 8.190 -0.590 19452 4066 1 8 . 1 1 77 77 GLN N N 77 122.000 122.000 123.089 -1.089 19452 4067 1 8 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.982 -0.242 19452 4068 1 8 . 1 1 77 77 GLN C C 77 177.800 177.800 174.429 3.371 19452 4069 1 8 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.879 2.521 19452 4070 1 8 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.311 -2.711 19452 4071 1 8 . 1 1 77 77 GLN H H 77 9.040 9.040 9.004 0.036 19452 4072 1 8 . 1 1 78 78 ASP N N 78 125.900 125.900 119.379 6.521 19452 4073 1 8 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.580 -1.170 19452 4074 1 8 . 1 1 78 78 ASP C C 78 178.900 178.900 176.211 2.689 19452 4075 1 8 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.727 6.973 19452 4076 1 8 . 1 1 78 78 ASP CB C 78 40.000 40.000 45.059 -5.059 19452 4077 1 8 . 1 1 78 78 ASP H H 78 10.210 10.210 8.592 1.618 19452 4078 1 8 . 1 1 79 79 VAL N N 79 123.800 123.800 116.013 7.787 19452 4079 1 8 . 1 1 79 79 VAL HA H 79 3.490 3.490 3.953 -0.463 19452 4080 1 8 . 1 1 79 79 VAL C C 79 178.400 178.400 175.190 3.210 19452 4081 1 8 . 1 1 79 79 VAL CA C 79 66.500 66.500 61.898 4.603 19452 4082 1 8 . 1 1 79 79 VAL CB C 79 30.500 30.500 32.775 -2.275 19452 4083 1 8 . 1 1 79 79 VAL H H 79 8.130 8.130 8.028 0.102 19452 4084 1 8 . 1 1 80 80 ALA N N 80 121.800 121.800 122.754 -0.954 19452 4085 1 8 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.216 -0.706 19452 4086 1 8 . 1 1 80 80 ALA C C 80 179.600 179.600 177.221 2.379 19452 4087 1 8 . 1 1 80 80 ALA CA C 80 54.900 54.900 52.548 2.352 19452 4088 1 8 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.698 -2.398 19452 4089 1 8 . 1 1 80 80 ALA H H 80 9.250 9.250 8.116 1.134 19452 4090 1 8 . 1 1 81 81 THR N N 81 113.200 113.200 114.389 -1.189 19452 4091 1 8 . 1 1 81 81 THR HA H 81 3.960 3.960 4.272 -0.312 19452 4092 1 8 . 1 1 81 81 THR C C 81 177.700 177.700 174.873 2.827 19452 4093 1 8 . 1 1 81 81 THR CA C 81 66.400 66.400 60.581 5.819 19452 4094 1 8 . 1 1 81 81 THR CB C 81 68.500 68.500 70.082 -1.582 19452 4095 1 8 . 1 1 81 81 THR H H 81 7.990 7.990 7.658 0.332 19452 4096 1 8 . 1 1 82 82 GLN N N 82 123.800 123.800 121.523 2.277 19452 4097 1 8 . 1 1 82 82 GLN HA H 82 3.850 3.850 3.722 0.128 19452 4098 1 8 . 1 1 82 82 GLN C C 82 177.900 177.900 175.626 2.274 19452 4099 1 8 . 1 1 82 82 GLN CA C 82 58.900 58.900 58.058 0.842 19452 4100 1 8 . 1 1 82 82 GLN CB C 82 28.000 28.000 28.668 -0.667 19452 4101 1 8 . 1 1 82 82 GLN H H 82 8.170 8.170 8.263 -0.093 19452 4102 1 8 . 1 1 83 83 TYR N N 83 112.900 112.900 114.260 -1.360 19452 4103 1 8 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.575 -0.145 19452 4104 1 8 . 1 1 83 83 TYR C C 83 175.300 175.300 175.407 -0.107 19452 4105 1 8 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.303 0.697 19452 4106 1 8 . 1 1 83 83 TYR CB C 83 38.500 38.500 38.670 -0.170 19452 4107 1 8 . 1 1 83 83 TYR H H 83 7.780 7.780 7.896 -0.116 19452 4108 1 8 . 1 1 84 84 GLY N N 84 110.200 110.200 109.386 0.814 19452 4109 1 8 . 1 1 84 84 GLY C C 84 175.300 175.300 173.281 2.019 19452 4110 1 8 . 1 1 84 84 GLY CA C 84 47.100 47.100 44.763 2.337 19452 4111 1 8 . 1 1 84 84 GLY H H 84 7.670 7.670 8.346 -0.676 19452 4112 1 8 . 1 1 85 85 VAL N N 85 121.300 121.300 117.838 3.462 19452 4113 1 8 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.290 -0.420 19452 4114 1 8 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.614 1.386 19452 4115 1 8 . 1 1 85 85 VAL CB C 85 30.500 30.500 35.103 -4.603 19452 4116 1 8 . 1 1 85 85 VAL H H 85 8.500 8.500 7.436 1.064 19452 4117 1 8 . 1 1 90 90 THR HA H 90 5.170 5.170 4.011 1.159 19452 4118 1 8 . 1 1 90 90 THR C C 90 172.300 172.300 176.574 -4.274 19452 4119 1 8 . 1 1 90 90 THR CA C 90 63.500 63.500 64.657 -1.157 19452 4120 1 8 . 1 1 90 90 THR CB C 90 73.300 73.300 68.621 4.679 19452 4121 1 8 . 1 1 91 91 ILE N N 91 126.600 126.600 116.988 9.612 19452 4122 1 8 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.129 1.461 19452 4123 1 8 . 1 1 91 91 ILE C C 91 175.900 175.900 176.833 -0.933 19452 4124 1 8 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.365 -2.965 19452 4125 1 8 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.137 1.863 19452 4126 1 8 . 1 1 91 91 ILE H H 91 9.340 9.340 7.564 1.776 19452 4127 1 8 . 1 1 92 92 LEU N N 92 125.700 125.700 118.932 6.768 19452 4128 1 8 . 1 1 92 92 LEU HA H 92 5.120 5.120 4.016 1.104 19452 4129 1 8 . 1 1 92 92 LEU C C 92 176.100 176.100 176.576 -0.476 19452 4130 1 8 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.901 -1.801 19452 4131 1 8 . 1 1 92 92 LEU H H 92 9.120 9.120 7.799 1.321 19452 4132 1 8 . 1 1 93 93 MET N N 93 117.700 117.700 118.629 -0.929 19452 4133 1 8 . 1 1 93 93 MET HA H 93 5.860 5.860 4.682 1.178 19452 4134 1 8 . 1 1 93 93 MET C C 93 174.400 174.400 175.137 -0.737 19452 4135 1 8 . 1 1 93 93 MET CA C 93 54.400 54.400 54.856 -0.456 19452 4136 1 8 . 1 1 93 93 MET CB C 93 34.100 34.100 32.559 1.541 19452 4137 1 8 . 1 1 93 93 MET H H 93 8.080 8.080 8.286 -0.206 19452 4138 1 8 . 1 1 94 94 PHE N N 94 123.300 123.300 122.295 1.005 19452 4139 1 8 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.653 0.917 19452 4140 1 8 . 1 1 94 94 PHE C C 94 174.800 174.800 175.123 -0.323 19452 4141 1 8 . 1 1 94 94 PHE CA C 94 55.900 55.900 58.386 -2.486 19452 4142 1 8 . 1 1 94 94 PHE CB C 94 44.800 44.800 38.895 5.905 19452 4143 1 8 . 1 1 94 94 PHE H H 94 9.990 9.990 8.301 1.689 19452 4144 1 8 . 1 1 95 95 LYS N N 95 117.100 117.100 121.191 -4.091 19452 4145 1 8 . 1 1 95 95 LYS C C 95 176.500 176.500 174.600 1.900 19452 4146 1 8 . 1 1 95 95 LYS CA C 95 57.500 57.500 55.949 1.551 19452 4147 1 8 . 1 1 95 95 LYS CB C 95 37.200 37.200 33.749 3.451 19452 4148 1 8 . 1 1 95 95 LYS H H 95 8.630 8.630 7.537 1.093 19452 4149 1 8 . 1 1 96 96 ASN N N 96 130.400 130.400 118.147 12.253 19452 4150 1 8 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.691 0.129 19452 4151 1 8 . 1 1 96 96 ASN C C 96 175.900 175.900 173.042 2.858 19452 4152 1 8 . 1 1 96 96 ASN CA C 96 54.500 54.500 52.959 1.541 19452 4153 1 8 . 1 1 96 96 ASN CB C 96 36.900 36.900 38.782 -1.882 19452 4154 1 8 . 1 1 96 96 ASN H H 96 10.190 10.190 8.377 1.813 19452 4155 1 8 . 1 1 97 97 GLY C C 97 173.700 173.700 173.469 0.231 19452 4156 1 8 . 1 1 97 97 GLY CA C 97 46.000 46.000 44.933 1.067 19452 4157 1 8 . 1 1 98 98 LYS N N 98 120.300 120.300 119.459 0.841 19452 4158 1 8 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.441 0.299 19452 4159 1 8 . 1 1 98 98 LYS C C 98 175.500 175.500 174.959 0.541 19452 4160 1 8 . 1 1 98 98 LYS CA C 98 54.700 54.700 54.794 -0.094 19452 4161 1 8 . 1 1 98 98 LYS CB C 98 34.200 34.200 35.286 -1.086 19452 4162 1 8 . 1 1 98 98 LYS H H 98 7.840 7.840 7.663 0.176 19452 4163 1 8 . 1 1 99 99 LYS N N 99 124.900 124.900 122.945 1.955 19452 4164 1 8 . 1 1 99 99 LYS HA H 99 3.610 3.610 4.995 -1.385 19452 4165 1 8 . 1 1 99 99 LYS C C 99 176.300 176.300 174.897 1.403 19452 4166 1 8 . 1 1 99 99 LYS CA C 99 56.600 56.600 55.212 1.388 19452 4167 1 8 . 1 1 99 99 LYS CB C 99 31.500 31.500 34.514 -3.014 19452 4168 1 8 . 1 1 99 99 LYS H H 99 8.880 8.880 8.663 0.217 19452 4169 1 8 . 1 1 100 100 LEU N N 100 128.800 128.800 126.967 1.833 19452 4170 1 8 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.646 -0.206 19452 4171 1 8 . 1 1 100 100 LEU C C 100 177.400 177.400 175.272 2.128 19452 4172 1 8 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.292 2.008 19452 4173 1 8 . 1 1 100 100 LEU CB C 100 44.100 44.100 45.764 -1.663 19452 4174 1 8 . 1 1 100 100 LEU H H 100 9.320 9.320 8.613 0.707 19452 4175 1 8 . 1 1 101 101 SER N N 101 109.000 109.000 118.213 -9.213 19452 4176 1 8 . 1 1 101 101 SER HA H 101 4.550 4.550 4.917 -0.367 19452 4177 1 8 . 1 1 101 101 SER C C 101 172.400 172.400 173.433 -1.033 19452 4178 1 8 . 1 1 101 101 SER CA C 101 57.200 57.200 57.992 -0.792 19452 4179 1 8 . 1 1 101 101 SER CB C 101 64.400 64.400 63.934 0.467 19452 4180 1 8 . 1 1 101 101 SER H H 101 7.260 7.260 8.423 -1.163 19452 4181 1 8 . 1 1 102 102 GLN N N 102 119.900 119.900 123.661 -3.761 19452 4182 1 8 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.615 -0.395 19452 4183 1 8 . 1 1 102 102 GLN C C 102 173.800 173.800 175.015 -1.215 19452 4184 1 8 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.464 0.936 19452 4185 1 8 . 1 1 102 102 GLN CB C 102 31.800 31.800 33.039 -1.239 19452 4186 1 8 . 1 1 102 102 GLN H H 102 8.230 8.230 8.979 -0.749 19452 4187 1 8 . 1 1 103 103 VAL N N 103 123.800 123.800 120.602 3.198 19452 4188 1 8 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.378 -0.048 19452 4189 1 8 . 1 1 103 103 VAL C C 103 174.600 174.600 175.311 -0.711 19452 4190 1 8 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.484 -0.784 19452 4191 1 8 . 1 1 103 103 VAL CB C 103 34.600 34.600 35.030 -0.430 19452 4192 1 8 . 1 1 103 103 VAL H H 103 9.310 9.310 9.175 0.135 19452 4193 1 8 . 1 1 104 104 ILE N N 104 129.400 129.400 127.509 1.891 19452 4194 1 8 . 1 1 104 104 ILE C C 104 176.400 176.400 175.893 0.507 19452 4195 1 8 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.771 -1.271 19452 4196 1 8 . 1 1 104 104 ILE CB C 104 38.700 38.700 37.277 1.423 19452 4197 1 8 . 1 1 104 104 ILE H H 104 8.970 8.970 9.121 -0.151 19452 4198 1 8 . 1 1 105 105 GLY N N 105 115.400 115.400 102.738 12.662 19452 4199 1 8 . 1 1 105 105 GLY C C 105 172.700 172.700 173.621 -0.921 19452 4200 1 8 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.144 -1.444 19452 4201 1 8 . 1 1 105 105 GLY H H 105 8.500 8.500 8.675 -0.175 19452 4202 1 8 . 1 1 106 106 ALA N N 106 120.200 120.200 120.971 -0.771 19452 4203 1 8 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.675 -0.295 19452 4204 1 8 . 1 1 106 106 ALA C C 106 176.300 176.300 175.955 0.345 19452 4205 1 8 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.327 0.173 19452 4206 1 8 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.839 -4.439 19452 4207 1 8 . 1 1 106 106 ALA H H 106 8.360 8.360 7.807 0.553 19452 4208 1 8 . 1 1 107 107 ASP N N 107 121.100 121.100 120.599 0.501 19452 4209 1 8 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.403 -0.633 19452 4210 1 8 . 1 1 107 107 ASP C C 107 176.600 176.600 175.718 0.882 19452 4211 1 8 . 1 1 107 107 ASP CA C 107 52.600 52.600 53.691 -1.091 19452 4212 1 8 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.898 -1.298 19452 4213 1 8 . 1 1 107 107 ASP H H 107 7.610 7.610 8.626 -1.016 19452 4214 1 8 . 1 1 108 108 ILE N N 108 125.700 125.700 122.062 3.638 19452 4215 1 8 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.410 -0.400 19452 4216 1 8 . 1 1 108 108 ILE C C 108 176.400 176.400 176.003 0.397 19452 4217 1 8 . 1 1 108 108 ILE CA C 108 60.700 60.700 60.887 -0.187 19452 4218 1 8 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.377 -0.077 19452 4219 1 8 . 1 1 108 108 ILE H H 108 8.550 8.550 8.305 0.245 19452 4220 1 8 . 1 1 109 109 SER N N 109 117.700 117.700 110.245 7.455 19452 4221 1 8 . 1 1 109 109 SER HA H 109 4.180 4.180 4.504 -0.324 19452 4222 1 8 . 1 1 109 109 SER C C 109 177.300 177.300 171.834 5.466 19452 4223 1 8 . 1 1 109 109 SER CA C 109 61.700 61.700 58.002 3.698 19452 4224 1 8 . 1 1 109 109 SER CB C 109 62.100 62.100 64.819 -2.719 19452 4225 1 8 . 1 1 109 109 SER H H 109 8.330 8.330 7.551 0.779 19452 4226 1 8 . 1 1 110 110 LYS N N 110 123.200 123.200 119.675 3.525 19452 4227 1 8 . 1 1 110 110 LYS HA H 110 4.220 4.220 5.064 -0.844 19452 4228 1 8 . 1 1 110 110 LYS CA C 110 58.100 58.100 54.807 3.293 19452 4229 1 8 . 1 1 110 110 LYS CB C 110 32.300 32.300 35.738 -3.438 19452 4230 1 8 . 1 1 110 110 LYS H H 110 7.480 7.480 8.593 -1.113 19452 4231 1 8 . 1 1 111 111 ILE N N 111 119.300 119.300 121.803 -2.503 19452 4232 1 8 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.468 -0.438 19452 4233 1 8 . 1 1 111 111 ILE C C 111 177.200 177.200 174.266 2.934 19452 4234 1 8 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.675 0.425 19452 4235 1 8 . 1 1 111 111 ILE CB C 111 37.800 37.800 41.240 -3.440 19452 4236 1 8 . 1 1 111 111 ILE H H 111 7.640 7.640 8.573 -0.933 19452 4237 1 8 . 1 1 112 112 ILE N N 112 118.700 118.700 127.765 -9.065 19452 4238 1 8 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.492 -1.062 19452 4239 1 8 . 1 1 112 112 ILE C C 112 177.700 177.700 176.362 1.338 19452 4240 1 8 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.974 5.126 19452 4241 1 8 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.097 0.403 19452 4242 1 8 . 1 1 112 112 ILE H H 112 8.410 8.410 8.527 -0.117 19452 4243 1 8 . 1 1 113 113 SER N N 113 113.800 113.800 122.415 -8.615 19452 4244 1 8 . 1 1 113 113 SER HA H 113 4.200 4.200 4.352 -0.152 19452 4245 1 8 . 1 1 113 113 SER C C 113 177.200 177.200 172.627 4.573 19452 4246 1 8 . 1 1 113 113 SER CA C 113 62.000 62.000 57.532 4.468 19452 4247 1 8 . 1 1 113 113 SER H H 113 7.920 7.920 8.477 -0.557 19452 4248 1 8 . 1 1 114 114 GLU N N 114 119.400 119.400 122.099 -2.699 19452 4249 1 8 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.566 -0.416 19452 4250 1 8 . 1 1 114 114 GLU C C 114 179.900 179.900 174.890 5.010 19452 4251 1 8 . 1 1 114 114 GLU CA C 114 58.500 58.500 55.886 2.614 19452 4252 1 8 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.118 -2.818 19452 4253 1 8 . 1 1 114 114 GLU H H 114 8.010 8.010 8.480 -0.470 19452 4254 1 8 . 1 1 115 115 ILE N N 115 121.700 121.700 125.281 -3.581 19452 4255 1 8 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.459 -1.079 19452 4256 1 8 . 1 1 115 115 ILE C C 115 178.100 178.100 175.118 2.982 19452 4257 1 8 . 1 1 115 115 ILE CA C 115 66.000 66.000 61.220 4.780 19452 4258 1 8 . 1 1 115 115 ILE CB C 115 37.700 37.700 40.950 -3.250 19452 4259 1 8 . 1 1 115 115 ILE H H 115 8.370 8.370 8.312 0.058 19452 4260 1 8 . 1 1 116 116 ASN N N 116 116.100 116.100 123.881 -7.781 19452 4261 1 8 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.355 -0.025 19452 4262 1 8 . 1 1 116 116 ASN C C 116 177.900 177.900 176.056 1.844 19452 4263 1 8 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.486 0.414 19452 4264 1 8 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.932 -1.332 19452 4265 1 8 . 1 1 116 116 ASN H H 116 8.230 8.230 8.846 -0.616 19452 4266 1 8 . 1 1 117 117 ASN N N 117 115.400 115.400 115.989 -0.589 19452 4267 1 8 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.422 0.208 19452 4268 1 8 . 1 1 117 117 ASN C C 117 176.200 176.200 177.304 -1.104 19452 4269 1 8 . 1 1 117 117 ASN CA C 117 54.300 54.300 55.748 -1.448 19452 4270 1 8 . 1 1 117 117 ASN CB C 117 39.100 39.100 37.986 1.115 19452 4271 1 8 . 1 1 117 117 ASN H H 117 7.930 7.930 8.480 -0.550 19452 4272 1 8 . 1 1 118 118 ASN N N 118 115.400 115.400 121.378 -5.978 19452 4273 1 8 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.665 0.345 19452 4274 1 8 . 1 1 118 118 ASN C C 118 174.400 174.400 177.241 -2.841 19452 4275 1 8 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.081 -0.881 19452 4276 1 8 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.425 3.775 19452 4277 1 8 . 1 1 118 118 ASN H H 118 7.710 7.710 7.607 0.103 19452 4278 1 8 . 1 1 119 119 ILE N N 119 117.300 117.300 117.964 -0.664 19452 4279 1 8 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.777 0.543 19452 4280 1 8 . 1 1 119 119 ILE C C 119 174.900 174.900 177.727 -2.827 19452 4281 1 8 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.994 -2.794 19452 4282 1 8 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.530 1.670 19452 4283 1 8 . 1 1 119 119 ILE H H 119 7.520 7.520 8.008 -0.488 19452 4284 1 8 . 1 1 120 120 ASN N N 120 124.900 124.900 114.140 10.760 19452 4285 1 8 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.568 -0.058 19452 4286 1 8 . 1 1 120 120 ASN CA C 120 55.000 55.000 56.031 -1.031 19452 4287 1 8 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.975 2.225 19452 4288 1 8 . 1 1 120 120 ASN H H 120 7.960 7.960 8.081 -0.121 19452 4289 1 9 . 1 1 2 2 GLY N N 2 109.900 109.900 110.227 -0.327 19452 4290 1 9 . 1 1 2 2 GLY C C 2 174.400 174.400 172.940 1.460 19452 4291 1 9 . 1 1 2 2 GLY CA C 2 45.600 45.600 45.794 -0.194 19452 4292 1 9 . 1 1 2 2 GLY H H 2 8.480 8.480 8.556 -0.076 19452 4293 1 9 . 1 1 3 3 THR N N 3 113.700 113.700 112.499 1.201 19452 4294 1 9 . 1 1 3 3 THR C C 3 174.900 174.900 173.221 1.679 19452 4295 1 9 . 1 1 3 3 THR CA C 3 62.400 62.400 61.817 0.583 19452 4296 1 9 . 1 1 3 3 THR CB C 3 70.000 70.000 70.398 -0.398 19452 4297 1 9 . 1 1 3 3 THR H H 3 8.090 8.090 8.135 -0.045 19452 4298 1 9 . 1 1 4 4 LEU N N 4 124.100 124.100 125.291 -1.191 19452 4299 1 9 . 1 1 4 4 LEU C C 4 177.600 177.600 174.975 2.625 19452 4300 1 9 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.221 1.479 19452 4301 1 9 . 1 1 4 4 LEU CB C 4 42.300 42.300 44.054 -1.754 19452 4302 1 9 . 1 1 4 4 LEU H H 4 8.400 8.400 8.136 0.264 19452 4303 1 9 . 1 1 5 5 GLU N N 5 121.600 121.600 119.016 2.584 19452 4304 1 9 . 1 1 5 5 GLU C C 5 176.500 176.500 174.717 1.783 19452 4305 1 9 . 1 1 5 5 GLU CA C 5 57.000 57.000 55.099 1.901 19452 4306 1 9 . 1 1 5 5 GLU CB C 5 29.900 29.900 31.897 -1.997 19452 4307 1 9 . 1 1 5 5 GLU H H 5 8.430 8.430 7.095 1.335 19452 4308 1 9 . 1 1 6 6 ALA N N 6 124.500 124.500 122.387 2.113 19452 4309 1 9 . 1 1 6 6 ALA C C 6 177.900 177.900 175.994 1.906 19452 4310 1 9 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.789 1.111 19452 4311 1 9 . 1 1 6 6 ALA CB C 6 19.200 19.200 20.956 -1.756 19452 4312 1 9 . 1 1 6 6 ALA H H 6 8.330 8.330 8.280 0.050 19452 4313 1 9 . 1 1 7 7 GLN N N 7 119.200 119.200 118.785 0.415 19452 4314 1 9 . 1 1 7 7 GLN C C 7 176.400 176.400 173.171 3.229 19452 4315 1 9 . 1 1 7 7 GLN CA C 7 56.000 56.000 54.349 1.651 19452 4316 1 9 . 1 1 7 7 GLN CB C 7 29.200 29.200 30.290 -1.090 19452 4317 1 9 . 1 1 7 7 GLN H H 7 8.400 8.400 7.284 1.116 19452 4318 1 9 . 1 1 8 8 THR N N 8 115.100 115.100 113.227 1.873 19452 4319 1 9 . 1 1 8 8 THR C C 8 174.500 174.500 173.607 0.893 19452 4320 1 9 . 1 1 8 8 THR CA C 8 62.300 62.300 61.575 0.725 19452 4321 1 9 . 1 1 8 8 THR CB C 8 70.000 70.000 71.511 -1.511 19452 4322 1 9 . 1 1 8 8 THR H H 8 8.210 8.210 8.524 -0.314 19452 4323 1 9 . 1 1 9 9 GLN N N 9 122.300 122.300 123.090 -0.790 19452 4324 1 9 . 1 1 9 9 GLN C C 9 176.100 176.100 174.842 1.258 19452 4325 1 9 . 1 1 9 9 GLN CA C 9 55.900 55.900 56.165 -0.265 19452 4326 1 9 . 1 1 9 9 GLN CB C 9 29.500 29.500 30.689 -1.189 19452 4327 1 9 . 1 1 9 9 GLN H H 9 8.470 8.470 8.471 -0.001 19452 4328 1 9 . 1 1 10 10 GLY N N 10 110.300 110.300 105.603 4.697 19452 4329 1 9 . 1 1 10 10 GLY CA C 10 44.400 44.400 44.850 -0.450 19452 4330 1 9 . 1 1 10 10 GLY H H 10 8.360 8.360 7.494 0.866 19452 4331 1 9 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.516 -0.076 19452 4332 1 9 . 1 1 11 11 PRO C C 11 177.800 177.800 176.840 0.960 19452 4333 1 9 . 1 1 11 11 PRO CA C 11 63.300 63.300 63.140 0.160 19452 4334 1 9 . 1 1 11 11 PRO CB C 11 32.000 32.000 30.720 1.280 19452 4335 1 9 . 1 1 12 12 GLY N N 12 109.600 109.600 114.372 -4.772 19452 4336 1 9 . 1 1 12 12 GLY CA C 12 44.900 44.900 45.121 -0.221 19452 4337 1 9 . 1 1 12 12 GLY H H 12 8.600 8.600 8.044 0.556 19452 4338 1 9 . 1 1 13 13 SER N N 13 114.700 114.700 116.700 -2.000 19452 4339 1 9 . 1 1 13 13 SER HA H 13 4.510 4.510 4.287 0.223 19452 4340 1 9 . 1 1 13 13 SER C C 13 175.300 175.300 173.331 1.969 19452 4341 1 9 . 1 1 13 13 SER CA C 13 57.800 57.800 59.192 -1.392 19452 4342 1 9 . 1 1 13 13 SER CB C 13 62.300 62.300 61.394 0.906 19452 4343 1 9 . 1 1 13 13 SER H H 13 8.130 8.130 8.839 -0.709 19452 4344 1 9 . 1 1 14 14 MET N N 14 124.300 124.300 117.760 6.540 19452 4345 1 9 . 1 1 14 14 MET HA H 14 4.470 4.470 4.798 -0.328 19452 4346 1 9 . 1 1 14 14 MET CA C 14 55.700 55.700 55.003 0.697 19452 4347 1 9 . 1 1 14 14 MET CB C 14 32.700 32.700 33.087 -0.387 19452 4348 1 9 . 1 1 14 14 MET H H 14 9.430 9.430 8.453 0.977 19452 4349 1 9 . 1 1 15 15 ILE N N 15 122.600 122.600 120.213 2.387 19452 4350 1 9 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.466 -0.456 19452 4351 1 9 . 1 1 15 15 ILE C C 15 175.300 175.300 176.370 -1.070 19452 4352 1 9 . 1 1 15 15 ILE CA C 15 60.700 60.700 60.642 0.058 19452 4353 1 9 . 1 1 15 15 ILE CB C 15 37.500 37.500 39.234 -1.734 19452 4354 1 9 . 1 1 15 15 ILE H H 15 8.520 8.520 8.053 0.467 19452 4355 1 9 . 1 1 16 16 GLU N N 16 129.300 129.300 119.740 9.560 19452 4356 1 9 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.233 0.137 19452 4357 1 9 . 1 1 16 16 GLU C C 16 175.500 175.500 176.206 -0.706 19452 4358 1 9 . 1 1 16 16 GLU CA C 16 56.100 56.100 56.990 -0.890 19452 4359 1 9 . 1 1 16 16 GLU CB C 16 31.400 31.400 30.296 1.104 19452 4360 1 9 . 1 1 16 16 GLU H H 16 8.220 8.220 8.433 -0.213 19452 4361 1 9 . 1 1 17 17 GLN N N 17 124.500 124.500 118.017 6.483 19452 4362 1 9 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.878 0.242 19452 4363 1 9 . 1 1 17 17 GLN C C 17 176.000 176.000 173.966 2.034 19452 4364 1 9 . 1 1 17 17 GLN CA C 17 55.200 55.200 54.363 0.837 19452 4365 1 9 . 1 1 17 17 GLN CB C 17 30.400 30.400 30.585 -0.185 19452 4366 1 9 . 1 1 17 17 GLN H H 17 8.810 8.810 8.807 0.003 19452 4367 1 9 . 1 1 18 18 ILE N N 18 118.700 118.700 120.960 -2.260 19452 4368 1 9 . 1 1 18 18 ILE C C 18 174.400 174.400 173.911 0.489 19452 4369 1 9 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.051 -1.451 19452 4370 1 9 . 1 1 18 18 ILE H H 18 8.840 8.840 8.352 0.488 19452 4371 1 9 . 1 1 19 19 GLY C C 19 174.800 174.800 174.630 0.170 19452 4372 1 9 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.206 -1.106 19452 4373 1 9 . 1 1 20 20 ASP N N 20 119.100 119.100 120.721 -1.621 19452 4374 1 9 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.602 -0.012 19452 4375 1 9 . 1 1 20 20 ASP C C 20 179.900 179.900 176.325 3.575 19452 4376 1 9 . 1 1 20 20 ASP CA C 20 58.000 58.000 54.084 3.916 19452 4377 1 9 . 1 1 20 20 ASP H H 20 8.090 8.090 8.595 -0.505 19452 4378 1 9 . 1 1 21 21 SER N N 21 112.000 112.000 114.840 -2.840 19452 4379 1 9 . 1 1 21 21 SER HA H 21 4.320 4.320 4.577 -0.257 19452 4380 1 9 . 1 1 21 21 SER CA C 21 60.700 60.700 57.328 3.372 19452 4381 1 9 . 1 1 21 21 SER CB C 21 62.500 62.500 64.794 -2.294 19452 4382 1 9 . 1 1 21 21 SER H H 21 8.750 8.750 8.237 0.513 19452 4383 1 9 . 1 1 22 22 GLU N N 22 119.000 119.000 121.663 -2.663 19452 4384 1 9 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.577 0.003 19452 4385 1 9 . 1 1 22 22 GLU C C 22 176.000 176.000 175.414 0.586 19452 4386 1 9 . 1 1 22 22 GLU CA C 22 56.200 56.200 55.536 0.664 19452 4387 1 9 . 1 1 22 22 GLU CB C 22 31.600 31.600 28.261 3.339 19452 4388 1 9 . 1 1 22 22 GLU H H 22 7.660 7.660 8.538 -0.878 19452 4389 1 9 . 1 1 23 23 PHE N N 23 120.900 120.900 119.703 1.197 19452 4390 1 9 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.524 -0.954 19452 4391 1 9 . 1 1 23 23 PHE C C 23 176.500 176.500 176.055 0.445 19452 4392 1 9 . 1 1 23 23 PHE CA C 23 63.100 63.100 58.617 4.483 19452 4393 1 9 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.043 1.657 19452 4394 1 9 . 1 1 23 23 PHE H H 23 7.490 7.490 7.688 -0.198 19452 4395 1 9 . 1 1 24 24 ASP N N 24 118.500 118.500 128.797 -10.297 19452 4396 1 9 . 1 1 24 24 ASP HA H 24 4.630 4.630 5.066 -0.436 19452 4397 1 9 . 1 1 24 24 ASP C C 24 178.400 178.400 174.608 3.792 19452 4398 1 9 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.191 4.509 19452 4399 1 9 . 1 1 24 24 ASP CB C 24 40.200 40.200 44.138 -3.938 19452 4400 1 9 . 1 1 24 24 ASP H H 24 8.900 8.900 9.093 -0.193 19452 4401 1 9 . 1 1 25 25 ASN N N 25 117.200 117.200 118.725 -1.525 19452 4402 1 9 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.876 -0.676 19452 4403 1 9 . 1 1 25 25 ASN C C 25 176.400 176.400 175.069 1.331 19452 4404 1 9 . 1 1 25 25 ASN CA C 25 56.000 56.000 53.019 2.981 19452 4405 1 9 . 1 1 25 25 ASN CB C 25 39.000 39.000 39.492 -0.492 19452 4406 1 9 . 1 1 26 26 LYS N N 26 112.800 112.800 115.948 -3.148 19452 4407 1 9 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.703 -0.703 19452 4408 1 9 . 1 1 26 26 LYS C C 26 175.500 175.500 174.534 0.966 19452 4409 1 9 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.141 2.159 19452 4410 1 9 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.598 -2.598 19452 4411 1 9 . 1 1 26 26 LYS H H 26 7.730 7.730 8.832 -1.102 19452 4412 1 9 . 1 1 27 27 VAL N N 27 114.500 114.500 116.391 -1.891 19452 4413 1 9 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.385 -0.345 19452 4414 1 9 . 1 1 27 27 VAL C C 27 177.900 177.900 174.981 2.919 19452 4415 1 9 . 1 1 27 27 VAL CA C 27 63.700 63.700 60.823 2.877 19452 4416 1 9 . 1 1 27 27 VAL H H 27 7.680 7.680 7.974 -0.294 19452 4417 1 9 . 1 1 28 28 THR N N 28 110.000 110.000 113.652 -3.652 19452 4418 1 9 . 1 1 28 28 THR HA H 28 3.710 3.710 4.038 -0.328 19452 4419 1 9 . 1 1 28 28 THR C C 28 175.800 175.800 176.632 -0.832 19452 4420 1 9 . 1 1 28 28 THR CA C 28 65.200 65.200 65.246 -0.046 19452 4421 1 9 . 1 1 28 28 THR CB C 28 68.100 68.100 69.004 -0.904 19452 4422 1 9 . 1 1 28 28 THR H H 28 7.010 7.010 8.582 -1.572 19452 4423 1 9 . 1 1 29 29 SER N N 29 113.600 113.600 112.363 1.237 19452 4424 1 9 . 1 1 29 29 SER HA H 29 4.480 4.480 4.382 0.098 19452 4425 1 9 . 1 1 29 29 SER C C 29 174.200 174.200 175.450 -1.250 19452 4426 1 9 . 1 1 29 29 SER CA C 29 58.500 58.500 59.986 -1.486 19452 4427 1 9 . 1 1 29 29 SER CB C 29 63.300 63.300 62.901 0.399 19452 4428 1 9 . 1 1 29 29 SER H H 29 8.350 8.350 8.099 0.251 19452 4429 1 9 . 1 1 30 30 CYS N N 30 120.000 120.000 118.808 1.192 19452 4430 1 9 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.487 -0.367 19452 4431 1 9 . 1 1 30 30 CYS C C 30 174.200 174.200 176.092 -1.892 19452 4432 1 9 . 1 1 30 30 CYS CA C 30 69.700 69.700 59.336 10.364 19452 4433 1 9 . 1 1 30 30 CYS CB C 30 27.800 27.800 26.771 1.029 19452 4434 1 9 . 1 1 30 30 CYS H H 30 6.810 6.810 8.182 -1.372 19452 4435 1 9 . 1 1 31 31 ASN N N 31 124.300 124.300 120.633 3.667 19452 4436 1 9 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.273 0.837 19452 4437 1 9 . 1 1 31 31 ASN C C 31 174.900 174.900 176.106 -1.206 19452 4438 1 9 . 1 1 31 31 ASN CA C 31 52.400 52.400 56.988 -4.588 19452 4439 1 9 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.411 0.089 19452 4440 1 9 . 1 1 31 31 ASN H H 31 8.760 8.760 8.149 0.611 19452 4441 1 9 . 1 1 32 32 ASP N N 32 119.000 119.000 116.988 2.012 19452 4442 1 9 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.947 0.613 19452 4443 1 9 . 1 1 32 32 ASP C C 32 176.600 176.600 178.789 -2.189 19452 4444 1 9 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.725 -3.225 19452 4445 1 9 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.849 2.151 19452 4446 1 9 . 1 1 32 32 ASP H H 32 7.720 7.720 8.780 -1.060 19452 4447 1 9 . 1 1 33 33 ASN N N 33 115.400 115.400 117.555 -2.155 19452 4448 1 9 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.455 -0.285 19452 4449 1 9 . 1 1 33 33 ASN C C 33 173.700 173.700 176.619 -2.919 19452 4450 1 9 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.655 -1.355 19452 4451 1 9 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.726 -0.926 19452 4452 1 9 . 1 1 33 33 ASN H H 33 9.750 9.750 8.161 1.589 19452 4453 1 9 . 1 1 34 34 ILE N N 34 120.700 120.700 115.338 5.362 19452 4454 1 9 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.279 -0.259 19452 4455 1 9 . 1 1 34 34 ILE C C 34 175.500 175.500 176.875 -1.375 19452 4456 1 9 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.140 -2.740 19452 4457 1 9 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.603 -2.103 19452 4458 1 9 . 1 1 34 34 ILE H H 34 7.850 7.850 7.740 0.110 19452 4459 1 9 . 1 1 35 35 LEU N N 35 128.400 128.400 121.884 6.516 19452 4460 1 9 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.158 0.512 19452 4461 1 9 . 1 1 35 35 LEU C C 35 173.700 173.700 178.281 -4.581 19452 4462 1 9 . 1 1 35 35 LEU CA C 35 54.900 54.900 57.769 -2.869 19452 4463 1 9 . 1 1 35 35 LEU CB C 35 42.400 42.400 42.198 0.202 19452 4464 1 9 . 1 1 35 35 LEU H H 35 8.100 8.100 8.127 -0.027 19452 4465 1 9 . 1 1 36 36 ILE N N 36 128.800 128.800 121.266 7.534 19452 4466 1 9 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.844 1.206 19452 4467 1 9 . 1 1 36 36 ILE C C 36 175.800 175.800 178.110 -2.310 19452 4468 1 9 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.591 -4.791 19452 4469 1 9 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.109 2.791 19452 4470 1 9 . 1 1 36 36 ILE H H 36 9.320 9.320 7.693 1.627 19452 4471 1 9 . 1 1 37 37 LEU N N 37 129.600 129.600 121.864 7.736 19452 4472 1 9 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.286 0.984 19452 4473 1 9 . 1 1 37 37 LEU C C 37 175.500 175.500 176.553 -1.053 19452 4474 1 9 . 1 1 37 37 LEU CA C 37 54.000 54.000 55.918 -1.918 19452 4475 1 9 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.386 2.414 19452 4476 1 9 . 1 1 37 37 LEU H H 37 9.400 9.400 7.772 1.628 19452 4477 1 9 . 1 1 38 38 VAL N N 38 120.100 120.100 123.300 -3.200 19452 4478 1 9 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.890 0.700 19452 4479 1 9 . 1 1 38 38 VAL C C 38 174.000 174.000 175.915 -1.915 19452 4480 1 9 . 1 1 38 38 VAL CA C 38 61.100 61.100 64.000 -2.900 19452 4481 1 9 . 1 1 38 38 VAL CB C 38 33.500 33.500 32.156 1.344 19452 4482 1 9 . 1 1 38 38 VAL H H 38 9.440 9.440 7.470 1.970 19452 4483 1 9 . 1 1 39 39 ASP N N 39 125.600 125.600 127.670 -2.070 19452 4484 1 9 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.829 0.341 19452 4485 1 9 . 1 1 39 39 ASP CA C 39 51.900 51.900 53.986 -2.086 19452 4486 1 9 . 1 1 39 39 ASP CB C 39 38.800 38.800 40.968 -2.168 19452 4487 1 9 . 1 1 39 39 ASP H H 39 9.240 9.240 8.709 0.531 19452 4488 1 9 . 1 1 40 40 PHE N N 40 119.600 119.600 119.204 0.396 19452 4489 1 9 . 1 1 40 40 PHE H H 40 8.860 8.860 7.858 1.002 19452 4490 1 9 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.133 0.277 19452 4491 1 9 . 1 1 53 53 PRO CA C 53 65.500 65.500 64.969 0.531 19452 4492 1 9 . 1 1 53 53 PRO CB C 53 30.800 30.800 32.023 -1.223 19452 4493 1 9 . 1 1 54 54 GLN N N 54 115.300 115.300 127.673 -12.373 19452 4494 1 9 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.348 -0.148 19452 4495 1 9 . 1 1 54 54 GLN C C 54 179.400 179.400 174.042 5.358 19452 4496 1 9 . 1 1 54 54 GLN CA C 54 58.000 58.000 55.166 2.834 19452 4497 1 9 . 1 1 54 54 GLN H H 54 7.080 7.080 8.362 -1.282 19452 4498 1 9 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.290 -0.300 19452 4499 1 9 . 1 1 55 55 LEU C C 55 178.700 178.700 176.826 1.874 19452 4500 1 9 . 1 1 55 55 LEU CA C 55 57.300 57.300 56.139 1.161 19452 4501 1 9 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.773 -1.473 19452 4502 1 9 . 1 1 56 56 GLU N N 56 118.900 118.900 116.683 2.217 19452 4503 1 9 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.683 -0.843 19452 4504 1 9 . 1 1 56 56 GLU C C 56 179.100 179.100 177.184 1.916 19452 4505 1 9 . 1 1 56 56 GLU CA C 56 59.500 59.500 56.049 3.451 19452 4506 1 9 . 1 1 56 56 GLU CB C 56 29.000 29.000 31.434 -2.434 19452 4507 1 9 . 1 1 56 56 GLU H H 56 8.150 8.150 8.377 -0.227 19452 4508 1 9 . 1 1 57 57 LYS N N 57 117.000 117.000 120.575 -3.575 19452 4509 1 9 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.512 -0.442 19452 4510 1 9 . 1 1 57 57 LYS C C 57 179.800 179.800 175.771 4.029 19452 4511 1 9 . 1 1 57 57 LYS CA C 57 59.000 59.000 55.342 3.658 19452 4512 1 9 . 1 1 57 57 LYS CB C 57 31.900 31.900 35.133 -3.232 19452 4513 1 9 . 1 1 57 57 LYS H H 57 7.160 7.160 7.783 -0.623 19452 4514 1 9 . 1 1 58 58 LEU N N 58 119.900 119.900 120.554 -0.654 19452 4515 1 9 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.213 -0.013 19452 4516 1 9 . 1 1 58 58 LEU C C 58 178.700 178.700 177.739 0.961 19452 4517 1 9 . 1 1 58 58 LEU CA C 58 57.700 57.700 55.279 2.421 19452 4518 1 9 . 1 1 58 58 LEU CB C 58 41.700 41.700 42.601 -0.901 19452 4519 1 9 . 1 1 58 58 LEU H H 58 7.650 7.650 8.088 -0.438 19452 4520 1 9 . 1 1 59 59 ALA N N 59 120.700 120.700 122.298 -1.598 19452 4521 1 9 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.181 -0.321 19452 4522 1 9 . 1 1 59 59 ALA C C 59 180.000 180.000 177.717 2.283 19452 4523 1 9 . 1 1 59 59 ALA CA C 59 54.600 54.600 52.439 2.161 19452 4524 1 9 . 1 1 59 59 ALA CB C 59 18.000 18.000 19.464 -1.464 19452 4525 1 9 . 1 1 59 59 ALA H H 59 8.440 8.440 8.375 0.065 19452 4526 1 9 . 1 1 60 60 GLN N N 60 113.100 113.100 119.679 -6.579 19452 4527 1 9 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.141 -0.081 19452 4528 1 9 . 1 1 60 60 GLN C C 60 177.800 177.800 175.754 2.046 19452 4529 1 9 . 1 1 60 60 GLN CA C 60 57.500 57.500 55.101 2.399 19452 4530 1 9 . 1 1 60 60 GLN CB C 60 28.800 28.800 29.002 -0.202 19452 4531 1 9 . 1 1 60 60 GLN H H 60 7.340 7.340 8.454 -1.114 19452 4532 1 9 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.235 -0.205 19452 4533 1 9 . 1 1 61 61 GLN C C 61 177.300 177.300 176.976 0.324 19452 4534 1 9 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.721 0.079 19452 4535 1 9 . 1 1 61 61 GLN CB C 61 29.000 29.000 28.864 0.136 19452 4536 1 9 . 1 1 62 62 TYR N N 62 117.300 117.300 117.976 -0.676 19452 4537 1 9 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.296 0.684 19452 4538 1 9 . 1 1 62 62 TYR C C 62 175.800 175.800 178.404 -2.604 19452 4539 1 9 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.447 -4.347 19452 4540 1 9 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.714 0.186 19452 4541 1 9 . 1 1 62 62 TYR H H 62 7.950 7.950 8.872 -0.922 19452 4542 1 9 . 1 1 63 63 THR N N 63 111.900 111.900 112.184 -0.284 19452 4543 1 9 . 1 1 63 63 THR HA H 63 4.190 4.190 3.985 0.205 19452 4544 1 9 . 1 1 63 63 THR C C 63 175.700 175.700 176.996 -1.296 19452 4545 1 9 . 1 1 63 63 THR CA C 63 64.600 64.600 65.776 -1.176 19452 4546 1 9 . 1 1 63 63 THR CB C 63 69.200 69.200 68.415 0.785 19452 4547 1 9 . 1 1 63 63 THR H H 63 7.110 7.110 7.500 -0.390 19452 4548 1 9 . 1 1 64 64 GLU N N 64 117.500 117.500 118.194 -0.694 19452 4549 1 9 . 1 1 64 64 GLU HA H 64 4.300 4.300 4.018 0.282 19452 4550 1 9 . 1 1 64 64 GLU C C 64 177.400 177.400 179.177 -1.777 19452 4551 1 9 . 1 1 64 64 GLU CA C 64 58.000 58.000 58.963 -0.963 19452 4552 1 9 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.206 0.894 19452 4553 1 9 . 1 1 64 64 GLU H H 64 8.610 8.610 7.776 0.834 19452 4554 1 9 . 1 1 65 65 ASN N N 65 113.300 113.300 118.966 -5.666 19452 4555 1 9 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.491 0.499 19452 4556 1 9 . 1 1 65 65 ASN C C 65 173.600 173.600 178.228 -4.628 19452 4557 1 9 . 1 1 65 65 ASN CA C 65 54.000 54.000 55.499 -1.499 19452 4558 1 9 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.287 2.813 19452 4559 1 9 . 1 1 65 65 ASN H H 65 8.050 8.050 8.379 -0.329 19452 4560 1 9 . 1 1 66 66 VAL N N 66 119.200 119.200 117.707 1.493 19452 4561 1 9 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.989 1.551 19452 4562 1 9 . 1 1 66 66 VAL C C 66 174.900 174.900 178.034 -3.134 19452 4563 1 9 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.323 -4.423 19452 4564 1 9 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.978 4.722 19452 4565 1 9 . 1 1 66 66 VAL H H 66 7.890 7.890 8.048 -0.158 19452 4566 1 9 . 1 1 67 67 LYS N N 67 127.600 127.600 119.663 7.937 19452 4567 1 9 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.881 0.679 19452 4568 1 9 . 1 1 67 67 LYS C C 67 173.600 173.600 178.559 -4.959 19452 4569 1 9 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.497 -5.397 19452 4570 1 9 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.733 4.467 19452 4571 1 9 . 1 1 67 67 LYS H H 67 8.700 8.700 8.307 0.393 19452 4572 1 9 . 1 1 68 68 ILE N N 68 123.200 123.200 115.955 7.245 19452 4573 1 9 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.865 0.715 19452 4574 1 9 . 1 1 68 68 ILE C C 68 173.900 173.900 179.168 -5.268 19452 4575 1 9 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.525 -3.025 19452 4576 1 9 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.956 0.544 19452 4577 1 9 . 1 1 68 68 ILE H H 68 8.770 8.770 7.668 1.102 19452 4578 1 9 . 1 1 69 69 TYR N N 69 124.400 124.400 119.157 5.243 19452 4579 1 9 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.217 1.443 19452 4580 1 9 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.420 -4.820 19452 4581 1 9 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.843 4.558 19452 4582 1 9 . 1 1 69 69 TYR H H 69 9.060 9.060 7.516 1.544 19452 4583 1 9 . 1 1 73 73 ILE C C 73 177.400 177.400 173.752 3.648 19452 4584 1 9 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.127 1.473 19452 4585 1 9 . 1 1 74 74 GLU N N 74 121.800 121.800 119.233 2.567 19452 4586 1 9 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.746 -0.466 19452 4587 1 9 . 1 1 74 74 GLU C C 74 177.800 177.800 174.738 3.062 19452 4588 1 9 . 1 1 74 74 GLU CA C 74 58.900 58.900 54.930 3.970 19452 4589 1 9 . 1 1 74 74 GLU CB C 74 29.700 29.700 32.776 -3.076 19452 4590 1 9 . 1 1 74 74 GLU H H 74 8.560 8.560 7.852 0.708 19452 4591 1 9 . 1 1 75 75 ASP N N 75 114.200 114.200 124.323 -10.123 19452 4592 1 9 . 1 1 75 75 ASP C C 75 175.800 175.800 174.175 1.625 19452 4593 1 9 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.338 2.662 19452 4594 1 9 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.362 -2.562 19452 4595 1 9 . 1 1 75 75 ASP H H 75 6.840 6.840 8.919 -2.079 19452 4596 1 9 . 1 1 76 76 ASN N N 76 118.400 118.400 117.611 0.789 19452 4597 1 9 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.486 -0.466 19452 4598 1 9 . 1 1 76 76 ASN C C 76 174.000 174.000 173.615 0.385 19452 4599 1 9 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.039 1.661 19452 4600 1 9 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.746 -1.146 19452 4601 1 9 . 1 1 76 76 ASN H H 76 7.600 7.600 8.264 -0.664 19452 4602 1 9 . 1 1 77 77 GLN N N 77 122.000 122.000 122.955 -0.955 19452 4603 1 9 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.999 -0.259 19452 4604 1 9 . 1 1 77 77 GLN C C 77 177.800 177.800 174.301 3.499 19452 4605 1 9 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.982 2.418 19452 4606 1 9 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.633 -3.033 19452 4607 1 9 . 1 1 77 77 GLN H H 77 9.040 9.040 9.113 -0.073 19452 4608 1 9 . 1 1 78 78 ASP N N 78 125.900 125.900 117.050 8.850 19452 4609 1 9 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.657 -1.247 19452 4610 1 9 . 1 1 78 78 ASP C C 78 178.900 178.900 175.125 3.775 19452 4611 1 9 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.574 7.126 19452 4612 1 9 . 1 1 78 78 ASP CB C 78 40.000 40.000 45.020 -5.020 19452 4613 1 9 . 1 1 78 78 ASP H H 78 10.210 10.210 8.866 1.344 19452 4614 1 9 . 1 1 79 79 VAL N N 79 123.800 123.800 117.473 6.327 19452 4615 1 9 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.553 -1.063 19452 4616 1 9 . 1 1 79 79 VAL C C 79 178.400 178.400 176.277 2.123 19452 4617 1 9 . 1 1 79 79 VAL CA C 79 66.500 66.500 59.731 6.769 19452 4618 1 9 . 1 1 79 79 VAL CB C 79 30.500 30.500 32.298 -1.798 19452 4619 1 9 . 1 1 79 79 VAL H H 79 8.130 8.130 8.689 -0.559 19452 4620 1 9 . 1 1 80 80 ALA N N 80 121.800 121.800 125.337 -3.537 19452 4621 1 9 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.252 -0.742 19452 4622 1 9 . 1 1 80 80 ALA C C 80 179.600 179.600 178.054 1.546 19452 4623 1 9 . 1 1 80 80 ALA CA C 80 54.900 54.900 52.757 2.143 19452 4624 1 9 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.607 -2.307 19452 4625 1 9 . 1 1 80 80 ALA H H 80 9.250 9.250 8.051 1.199 19452 4626 1 9 . 1 1 81 81 THR N N 81 113.200 113.200 115.432 -2.232 19452 4627 1 9 . 1 1 81 81 THR HA H 81 3.960 3.960 4.094 -0.134 19452 4628 1 9 . 1 1 81 81 THR C C 81 177.700 177.700 174.880 2.820 19452 4629 1 9 . 1 1 81 81 THR CA C 81 66.400 66.400 61.494 4.906 19452 4630 1 9 . 1 1 81 81 THR CB C 81 68.500 68.500 69.703 -1.203 19452 4631 1 9 . 1 1 81 81 THR H H 81 7.990 7.990 7.965 0.025 19452 4632 1 9 . 1 1 82 82 GLN N N 82 123.800 123.800 123.680 0.120 19452 4633 1 9 . 1 1 82 82 GLN HA H 82 3.850 3.850 3.926 -0.076 19452 4634 1 9 . 1 1 82 82 GLN C C 82 177.900 177.900 175.623 2.277 19452 4635 1 9 . 1 1 82 82 GLN CA C 82 58.900 58.900 57.776 1.125 19452 4636 1 9 . 1 1 82 82 GLN CB C 82 28.000 28.000 28.740 -0.740 19452 4637 1 9 . 1 1 82 82 GLN H H 82 8.170 8.170 8.285 -0.115 19452 4638 1 9 . 1 1 83 83 TYR N N 83 112.900 112.900 115.561 -2.661 19452 4639 1 9 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.586 -0.156 19452 4640 1 9 . 1 1 83 83 TYR C C 83 175.300 175.300 175.312 -0.012 19452 4641 1 9 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.163 0.838 19452 4642 1 9 . 1 1 83 83 TYR CB C 83 38.500 38.500 39.377 -0.877 19452 4643 1 9 . 1 1 83 83 TYR H H 83 7.780 7.780 7.840 -0.060 19452 4644 1 9 . 1 1 84 84 GLY N N 84 110.200 110.200 109.296 0.904 19452 4645 1 9 . 1 1 84 84 GLY C C 84 175.300 175.300 173.349 1.951 19452 4646 1 9 . 1 1 84 84 GLY CA C 84 47.100 47.100 45.980 1.119 19452 4647 1 9 . 1 1 84 84 GLY H H 84 7.670 7.670 8.135 -0.465 19452 4648 1 9 . 1 1 85 85 VAL N N 85 121.300 121.300 120.356 0.944 19452 4649 1 9 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.399 -0.529 19452 4650 1 9 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.377 1.623 19452 4651 1 9 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.849 -3.349 19452 4652 1 9 . 1 1 85 85 VAL H H 85 8.500 8.500 7.969 0.531 19452 4653 1 9 . 1 1 90 90 THR HA H 90 5.170 5.170 3.981 1.189 19452 4654 1 9 . 1 1 90 90 THR C C 90 172.300 172.300 176.156 -3.856 19452 4655 1 9 . 1 1 90 90 THR CA C 90 63.500 63.500 64.373 -0.873 19452 4656 1 9 . 1 1 90 90 THR CB C 90 73.300 73.300 68.385 4.915 19452 4657 1 9 . 1 1 91 91 ILE N N 91 126.600 126.600 115.178 11.422 19452 4658 1 9 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.049 1.541 19452 4659 1 9 . 1 1 91 91 ILE C C 91 175.900 175.900 176.909 -1.009 19452 4660 1 9 . 1 1 91 91 ILE CA C 91 58.400 58.400 60.942 -2.542 19452 4661 1 9 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.376 1.624 19452 4662 1 9 . 1 1 91 91 ILE H H 91 9.340 9.340 7.530 1.810 19452 4663 1 9 . 1 1 92 92 LEU N N 92 125.700 125.700 120.411 5.289 19452 4664 1 9 . 1 1 92 92 LEU HA H 92 5.120 5.120 3.996 1.124 19452 4665 1 9 . 1 1 92 92 LEU C C 92 176.100 176.100 176.165 -0.065 19452 4666 1 9 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.956 -1.856 19452 4667 1 9 . 1 1 92 92 LEU H H 92 9.120 9.120 7.731 1.389 19452 4668 1 9 . 1 1 93 93 MET N N 93 117.700 117.700 119.161 -1.461 19452 4669 1 9 . 1 1 93 93 MET HA H 93 5.860 5.860 4.559 1.301 19452 4670 1 9 . 1 1 93 93 MET C C 93 174.400 174.400 175.743 -1.343 19452 4671 1 9 . 1 1 93 93 MET CA C 93 54.400 54.400 54.180 0.220 19452 4672 1 9 . 1 1 93 93 MET CB C 93 34.100 34.100 33.962 0.138 19452 4673 1 9 . 1 1 93 93 MET H H 93 8.080 8.080 8.081 -0.001 19452 4674 1 9 . 1 1 94 94 PHE N N 94 123.300 123.300 126.718 -3.418 19452 4675 1 9 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.181 1.389 19452 4676 1 9 . 1 1 94 94 PHE C C 94 174.800 174.800 176.654 -1.854 19452 4677 1 9 . 1 1 94 94 PHE CA C 94 55.900 55.900 58.834 -2.934 19452 4678 1 9 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.581 5.219 19452 4679 1 9 . 1 1 94 94 PHE H H 94 9.990 9.990 8.409 1.581 19452 4680 1 9 . 1 1 95 95 LYS N N 95 117.100 117.100 120.153 -3.053 19452 4681 1 9 . 1 1 95 95 LYS C C 95 176.500 176.500 176.329 0.171 19452 4682 1 9 . 1 1 95 95 LYS CA C 95 57.500 57.500 57.528 -0.028 19452 4683 1 9 . 1 1 95 95 LYS CB C 95 37.200 37.200 32.403 4.797 19452 4684 1 9 . 1 1 95 95 LYS H H 95 8.630 8.630 8.455 0.175 19452 4685 1 9 . 1 1 96 96 ASN N N 96 130.400 130.400 113.147 17.253 19452 4686 1 9 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.686 0.134 19452 4687 1 9 . 1 1 96 96 ASN C C 96 175.900 175.900 173.897 2.003 19452 4688 1 9 . 1 1 96 96 ASN CA C 96 54.500 54.500 51.363 3.137 19452 4689 1 9 . 1 1 96 96 ASN CB C 96 36.900 36.900 37.745 -0.845 19452 4690 1 9 . 1 1 96 96 ASN H H 96 10.190 10.190 7.566 2.624 19452 4691 1 9 . 1 1 97 97 GLY C C 97 173.700 173.700 173.861 -0.161 19452 4692 1 9 . 1 1 97 97 GLY CA C 97 46.000 46.000 45.196 0.804 19452 4693 1 9 . 1 1 98 98 LYS N N 98 120.300 120.300 123.291 -2.991 19452 4694 1 9 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.565 0.175 19452 4695 1 9 . 1 1 98 98 LYS C C 98 175.500 175.500 175.239 0.261 19452 4696 1 9 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.684 -0.984 19452 4697 1 9 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.442 -2.242 19452 4698 1 9 . 1 1 98 98 LYS H H 98 7.840 7.840 8.104 -0.264 19452 4699 1 9 . 1 1 99 99 LYS N N 99 124.900 124.900 123.800 1.100 19452 4700 1 9 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.021 -1.411 19452 4701 1 9 . 1 1 99 99 LYS C C 99 176.300 176.300 174.851 1.449 19452 4702 1 9 . 1 1 99 99 LYS CA C 99 56.600 56.600 54.736 1.864 19452 4703 1 9 . 1 1 99 99 LYS CB C 99 31.500 31.500 35.851 -4.351 19452 4704 1 9 . 1 1 99 99 LYS H H 99 8.880 8.880 8.844 0.036 19452 4705 1 9 . 1 1 100 100 LEU N N 100 128.800 128.800 124.125 4.675 19452 4706 1 9 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.501 -0.061 19452 4707 1 9 . 1 1 100 100 LEU C C 100 177.400 177.400 175.096 2.304 19452 4708 1 9 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.448 1.852 19452 4709 1 9 . 1 1 100 100 LEU CB C 100 44.100 44.100 45.390 -1.290 19452 4710 1 9 . 1 1 100 100 LEU H H 100 9.320 9.320 8.487 0.833 19452 4711 1 9 . 1 1 101 101 SER N N 101 109.000 109.000 117.118 -8.118 19452 4712 1 9 . 1 1 101 101 SER HA H 101 4.550 4.550 4.925 -0.375 19452 4713 1 9 . 1 1 101 101 SER C C 101 172.400 172.400 173.089 -0.689 19452 4714 1 9 . 1 1 101 101 SER CA C 101 57.200 57.200 57.778 -0.577 19452 4715 1 9 . 1 1 101 101 SER CB C 101 64.400 64.400 63.765 0.635 19452 4716 1 9 . 1 1 101 101 SER H H 101 7.260 7.260 8.701 -1.441 19452 4717 1 9 . 1 1 102 102 GLN N N 102 119.900 119.900 123.167 -3.267 19452 4718 1 9 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.724 -0.504 19452 4719 1 9 . 1 1 102 102 GLN C C 102 173.800 173.800 174.859 -1.059 19452 4720 1 9 . 1 1 102 102 GLN CA C 102 54.400 54.400 52.947 1.453 19452 4721 1 9 . 1 1 102 102 GLN CB C 102 31.800 31.800 33.167 -1.367 19452 4722 1 9 . 1 1 102 102 GLN H H 102 8.230 8.230 8.905 -0.675 19452 4723 1 9 . 1 1 103 103 VAL N N 103 123.800 123.800 119.053 4.747 19452 4724 1 9 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.387 -0.057 19452 4725 1 9 . 1 1 103 103 VAL C C 103 174.600 174.600 175.250 -0.650 19452 4726 1 9 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.261 -0.561 19452 4727 1 9 . 1 1 103 103 VAL CB C 103 34.600 34.600 35.038 -0.438 19452 4728 1 9 . 1 1 103 103 VAL H H 103 9.310 9.310 9.070 0.240 19452 4729 1 9 . 1 1 104 104 ILE N N 104 129.400 129.400 125.613 3.787 19452 4730 1 9 . 1 1 104 104 ILE C C 104 176.400 176.400 176.038 0.362 19452 4731 1 9 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.737 -1.237 19452 4732 1 9 . 1 1 104 104 ILE CB C 104 38.700 38.700 37.289 1.411 19452 4733 1 9 . 1 1 104 104 ILE H H 104 8.970 8.970 8.932 0.038 19452 4734 1 9 . 1 1 105 105 GLY N N 105 115.400 115.400 103.772 11.628 19452 4735 1 9 . 1 1 105 105 GLY C C 105 172.700 172.700 173.298 -0.598 19452 4736 1 9 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.009 -1.309 19452 4737 1 9 . 1 1 105 105 GLY H H 105 8.500 8.500 8.299 0.201 19452 4738 1 9 . 1 1 106 106 ALA N N 106 120.200 120.200 122.896 -2.696 19452 4739 1 9 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.708 -0.328 19452 4740 1 9 . 1 1 106 106 ALA C C 106 176.300 176.300 176.050 0.250 19452 4741 1 9 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.422 0.078 19452 4742 1 9 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.556 -4.156 19452 4743 1 9 . 1 1 106 106 ALA H H 106 8.360 8.360 7.955 0.405 19452 4744 1 9 . 1 1 107 107 ASP N N 107 121.100 121.100 123.038 -1.938 19452 4745 1 9 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.438 -0.668 19452 4746 1 9 . 1 1 107 107 ASP C C 107 176.600 176.600 176.008 0.592 19452 4747 1 9 . 1 1 107 107 ASP CA C 107 52.600 52.600 53.944 -1.344 19452 4748 1 9 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.769 -1.169 19452 4749 1 9 . 1 1 107 107 ASP H H 107 7.610 7.610 8.690 -1.080 19452 4750 1 9 . 1 1 108 108 ILE N N 108 125.700 125.700 123.534 2.166 19452 4751 1 9 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.292 -0.282 19452 4752 1 9 . 1 1 108 108 ILE C C 108 176.400 176.400 175.927 0.473 19452 4753 1 9 . 1 1 108 108 ILE CA C 108 60.700 60.700 61.599 -0.899 19452 4754 1 9 . 1 1 108 108 ILE CB C 108 38.300 38.300 39.191 -0.891 19452 4755 1 9 . 1 1 108 108 ILE H H 108 8.550 8.550 8.617 -0.067 19452 4756 1 9 . 1 1 109 109 SER N N 109 117.700 117.700 110.007 7.693 19452 4757 1 9 . 1 1 109 109 SER HA H 109 4.180 4.180 4.536 -0.356 19452 4758 1 9 . 1 1 109 109 SER C C 109 177.300 177.300 171.786 5.514 19452 4759 1 9 . 1 1 109 109 SER CA C 109 61.700 61.700 58.309 3.391 19452 4760 1 9 . 1 1 109 109 SER CB C 109 62.100 62.100 65.120 -3.020 19452 4761 1 9 . 1 1 109 109 SER H H 109 8.330 8.330 7.434 0.896 19452 4762 1 9 . 1 1 110 110 LYS N N 110 123.200 123.200 121.059 2.141 19452 4763 1 9 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.716 -0.496 19452 4764 1 9 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.093 3.007 19452 4765 1 9 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.353 -2.053 19452 4766 1 9 . 1 1 110 110 LYS H H 110 7.480 7.480 8.646 -1.166 19452 4767 1 9 . 1 1 111 111 ILE N N 111 119.300 119.300 125.095 -5.795 19452 4768 1 9 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.131 -0.101 19452 4769 1 9 . 1 1 111 111 ILE C C 111 177.200 177.200 174.728 2.472 19452 4770 1 9 . 1 1 111 111 ILE CA C 111 61.100 61.100 61.650 -0.550 19452 4771 1 9 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.924 -2.124 19452 4772 1 9 . 1 1 111 111 ILE H H 111 7.640 7.640 8.052 -0.412 19452 4773 1 9 . 1 1 112 112 ILE N N 112 118.700 118.700 125.471 -6.771 19452 4774 1 9 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.295 -0.865 19452 4775 1 9 . 1 1 112 112 ILE C C 112 177.700 177.700 175.824 1.876 19452 4776 1 9 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.561 5.539 19452 4777 1 9 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.591 -0.091 19452 4778 1 9 . 1 1 112 112 ILE H H 112 8.410 8.410 8.366 0.044 19452 4779 1 9 . 1 1 113 113 SER N N 113 113.800 113.800 121.932 -8.132 19452 4780 1 9 . 1 1 113 113 SER HA H 113 4.200 4.200 4.229 -0.029 19452 4781 1 9 . 1 1 113 113 SER C C 113 177.200 177.200 172.660 4.540 19452 4782 1 9 . 1 1 113 113 SER CA C 113 62.000 62.000 57.263 4.737 19452 4783 1 9 . 1 1 113 113 SER H H 113 7.920 7.920 8.099 -0.179 19452 4784 1 9 . 1 1 114 114 GLU N N 114 119.400 119.400 121.489 -2.089 19452 4785 1 9 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.764 -0.614 19452 4786 1 9 . 1 1 114 114 GLU C C 114 179.900 179.900 175.273 4.627 19452 4787 1 9 . 1 1 114 114 GLU CA C 114 58.500 58.500 55.613 2.887 19452 4788 1 9 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.053 -2.753 19452 4789 1 9 . 1 1 114 114 GLU H H 114 8.010 8.010 8.448 -0.438 19452 4790 1 9 . 1 1 115 115 ILE N N 115 121.700 121.700 124.127 -2.427 19452 4791 1 9 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.479 -1.099 19452 4792 1 9 . 1 1 115 115 ILE C C 115 178.100 178.100 175.269 2.831 19452 4793 1 9 . 1 1 115 115 ILE CA C 115 66.000 66.000 60.618 5.381 19452 4794 1 9 . 1 1 115 115 ILE CB C 115 37.700 37.700 39.574 -1.874 19452 4795 1 9 . 1 1 115 115 ILE H H 115 8.370 8.370 7.748 0.622 19452 4796 1 9 . 1 1 116 116 ASN N N 116 116.100 116.100 124.366 -8.266 19452 4797 1 9 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.334 -0.004 19452 4798 1 9 . 1 1 116 116 ASN C C 116 177.900 177.900 176.203 1.697 19452 4799 1 9 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.470 0.430 19452 4800 1 9 . 1 1 116 116 ASN CB C 116 37.600 37.600 39.179 -1.579 19452 4801 1 9 . 1 1 116 116 ASN H H 116 8.230 8.230 8.679 -0.449 19452 4802 1 9 . 1 1 117 117 ASN N N 117 115.400 115.400 115.674 -0.274 19452 4803 1 9 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.412 0.218 19452 4804 1 9 . 1 1 117 117 ASN C C 117 176.200 176.200 177.300 -1.100 19452 4805 1 9 . 1 1 117 117 ASN CA C 117 54.300 54.300 55.630 -1.330 19452 4806 1 9 . 1 1 117 117 ASN CB C 117 39.100 39.100 37.849 1.251 19452 4807 1 9 . 1 1 117 117 ASN H H 117 7.930 7.930 8.366 -0.436 19452 4808 1 9 . 1 1 118 118 ASN N N 118 115.400 115.400 121.271 -5.871 19452 4809 1 9 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.674 0.336 19452 4810 1 9 . 1 1 118 118 ASN C C 118 174.400 174.400 177.358 -2.958 19452 4811 1 9 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.097 -0.897 19452 4812 1 9 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.793 3.407 19452 4813 1 9 . 1 1 118 118 ASN H H 118 7.710 7.710 7.606 0.104 19452 4814 1 9 . 1 1 119 119 ILE N N 119 117.300 117.300 117.607 -0.307 19452 4815 1 9 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.758 0.562 19452 4816 1 9 . 1 1 119 119 ILE C C 119 174.900 174.900 177.951 -3.051 19452 4817 1 9 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.961 -2.761 19452 4818 1 9 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.412 1.788 19452 4819 1 9 . 1 1 119 119 ILE H H 119 7.520 7.520 8.101 -0.581 19452 4820 1 9 . 1 1 120 120 ASN N N 120 124.900 124.900 114.164 10.736 19452 4821 1 9 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.555 -0.045 19452 4822 1 9 . 1 1 120 120 ASN CA C 120 55.000 55.000 55.965 -0.965 19452 4823 1 9 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.919 2.281 19452 4824 1 9 . 1 1 120 120 ASN H H 120 7.960 7.960 8.058 -0.098 19452 4825 1 10 . 1 1 2 2 GLY N N 2 109.900 109.900 113.260 -3.360 19452 4826 1 10 . 1 1 2 2 GLY C C 2 174.400 174.400 173.311 1.089 19452 4827 1 10 . 1 1 2 2 GLY CA C 2 45.600 45.600 45.338 0.262 19452 4828 1 10 . 1 1 2 2 GLY H H 2 8.480 8.480 8.785 -0.305 19452 4829 1 10 . 1 1 3 3 THR N N 3 113.700 113.700 119.326 -5.626 19452 4830 1 10 . 1 1 3 3 THR C C 3 174.900 174.900 173.659 1.241 19452 4831 1 10 . 1 1 3 3 THR CA C 3 62.400 62.400 61.347 1.052 19452 4832 1 10 . 1 1 3 3 THR CB C 3 70.000 70.000 68.657 1.343 19452 4833 1 10 . 1 1 3 3 THR H H 3 8.090 8.090 8.540 -0.450 19452 4834 1 10 . 1 1 4 4 LEU N N 4 124.100 124.100 123.892 0.208 19452 4835 1 10 . 1 1 4 4 LEU C C 4 177.600 177.600 175.863 1.737 19452 4836 1 10 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.253 1.447 19452 4837 1 10 . 1 1 4 4 LEU CB C 4 42.300 42.300 42.908 -0.608 19452 4838 1 10 . 1 1 4 4 LEU H H 4 8.400 8.400 8.591 -0.191 19452 4839 1 10 . 1 1 5 5 GLU N N 5 121.600 121.600 118.730 2.870 19452 4840 1 10 . 1 1 5 5 GLU C C 5 176.500 176.500 176.635 -0.135 19452 4841 1 10 . 1 1 5 5 GLU CA C 5 57.000 57.000 56.244 0.756 19452 4842 1 10 . 1 1 5 5 GLU CB C 5 29.900 29.900 30.430 -0.530 19452 4843 1 10 . 1 1 5 5 GLU H H 5 8.430 8.430 8.415 0.015 19452 4844 1 10 . 1 1 6 6 ALA N N 6 124.500 124.500 121.247 3.253 19452 4845 1 10 . 1 1 6 6 ALA C C 6 177.900 177.900 176.489 1.411 19452 4846 1 10 . 1 1 6 6 ALA CA C 6 52.900 52.900 50.890 2.010 19452 4847 1 10 . 1 1 6 6 ALA CB C 6 19.200 19.200 20.545 -1.345 19452 4848 1 10 . 1 1 6 6 ALA H H 6 8.330 8.330 7.535 0.795 19452 4849 1 10 . 1 1 7 7 GLN N N 7 119.200 119.200 118.938 0.262 19452 4850 1 10 . 1 1 7 7 GLN C C 7 176.400 176.400 175.026 1.374 19452 4851 1 10 . 1 1 7 7 GLN CA C 7 56.000 56.000 55.117 0.883 19452 4852 1 10 . 1 1 7 7 GLN CB C 7 29.200 29.200 30.752 -1.552 19452 4853 1 10 . 1 1 7 7 GLN H H 7 8.400 8.400 8.357 0.043 19452 4854 1 10 . 1 1 8 8 THR N N 8 115.100 115.100 117.332 -2.232 19452 4855 1 10 . 1 1 8 8 THR C C 8 174.500 174.500 173.635 0.865 19452 4856 1 10 . 1 1 8 8 THR CA C 8 62.300 62.300 61.859 0.440 19452 4857 1 10 . 1 1 8 8 THR CB C 8 70.000 70.000 70.211 -0.211 19452 4858 1 10 . 1 1 8 8 THR H H 8 8.210 8.210 8.502 -0.292 19452 4859 1 10 . 1 1 9 9 GLN N N 9 122.300 122.300 119.678 2.622 19452 4860 1 10 . 1 1 9 9 GLN C C 9 176.100 176.100 173.597 2.503 19452 4861 1 10 . 1 1 9 9 GLN CA C 9 55.900 55.900 55.149 0.751 19452 4862 1 10 . 1 1 9 9 GLN CB C 9 29.500 29.500 31.824 -2.324 19452 4863 1 10 . 1 1 9 9 GLN H H 9 8.470 8.470 7.473 0.997 19452 4864 1 10 . 1 1 10 10 GLY N N 10 110.300 110.300 108.279 2.021 19452 4865 1 10 . 1 1 10 10 GLY CA C 10 44.400 44.400 45.563 -1.163 19452 4866 1 10 . 1 1 10 10 GLY H H 10 8.360 8.360 8.910 -0.550 19452 4867 1 10 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.654 -0.214 19452 4868 1 10 . 1 1 11 11 PRO C C 11 177.800 177.800 175.525 2.275 19452 4869 1 10 . 1 1 11 11 PRO CA C 11 63.300 63.300 62.572 0.728 19452 4870 1 10 . 1 1 11 11 PRO CB C 11 32.000 32.000 33.667 -1.667 19452 4871 1 10 . 1 1 12 12 GLY N N 12 109.600 109.600 111.288 -1.688 19452 4872 1 10 . 1 1 12 12 GLY CA C 12 44.900 44.900 45.115 -0.215 19452 4873 1 10 . 1 1 12 12 GLY H H 12 8.600 8.600 8.550 0.050 19452 4874 1 10 . 1 1 13 13 SER N N 13 114.700 114.700 117.151 -2.451 19452 4875 1 10 . 1 1 13 13 SER HA H 13 4.510 4.510 4.538 -0.028 19452 4876 1 10 . 1 1 13 13 SER C C 13 175.300 175.300 173.895 1.405 19452 4877 1 10 . 1 1 13 13 SER CA C 13 57.800 57.800 57.285 0.515 19452 4878 1 10 . 1 1 13 13 SER CB C 13 62.300 62.300 64.157 -1.857 19452 4879 1 10 . 1 1 13 13 SER H H 13 8.130 8.130 8.049 0.081 19452 4880 1 10 . 1 1 14 14 MET N N 14 124.300 124.300 120.606 3.694 19452 4881 1 10 . 1 1 14 14 MET HA H 14 4.470 4.470 4.434 0.036 19452 4882 1 10 . 1 1 14 14 MET CA C 14 55.700 55.700 56.072 -0.372 19452 4883 1 10 . 1 1 14 14 MET CB C 14 32.700 32.700 32.273 0.427 19452 4884 1 10 . 1 1 14 14 MET H H 14 9.430 9.430 8.110 1.320 19452 4885 1 10 . 1 1 15 15 ILE N N 15 122.600 122.600 124.110 -1.510 19452 4886 1 10 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.667 -0.657 19452 4887 1 10 . 1 1 15 15 ILE C C 15 175.300 175.300 175.141 0.159 19452 4888 1 10 . 1 1 15 15 ILE CA C 15 60.700 60.700 60.712 -0.013 19452 4889 1 10 . 1 1 15 15 ILE CB C 15 37.500 37.500 40.670 -3.170 19452 4890 1 10 . 1 1 15 15 ILE H H 15 8.520 8.520 8.457 0.063 19452 4891 1 10 . 1 1 16 16 GLU N N 16 129.300 129.300 123.547 5.753 19452 4892 1 10 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.581 -0.211 19452 4893 1 10 . 1 1 16 16 GLU C C 16 175.500 175.500 176.228 -0.728 19452 4894 1 10 . 1 1 16 16 GLU CA C 16 56.100 56.100 54.070 2.030 19452 4895 1 10 . 1 1 16 16 GLU CB C 16 31.400 31.400 31.389 0.011 19452 4896 1 10 . 1 1 16 16 GLU H H 16 8.220 8.220 8.236 -0.016 19452 4897 1 10 . 1 1 17 17 GLN N N 17 124.500 124.500 120.885 3.615 19452 4898 1 10 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.455 0.665 19452 4899 1 10 . 1 1 17 17 GLN C C 17 176.000 176.000 176.326 -0.326 19452 4900 1 10 . 1 1 17 17 GLN CA C 17 55.200 55.200 55.748 -0.548 19452 4901 1 10 . 1 1 17 17 GLN CB C 17 30.400 30.400 30.269 0.131 19452 4902 1 10 . 1 1 17 17 GLN H H 17 8.810 8.810 8.380 0.430 19452 4903 1 10 . 1 1 18 18 ILE N N 18 118.700 118.700 123.077 -4.377 19452 4904 1 10 . 1 1 18 18 ILE C C 18 174.400 174.400 174.124 0.276 19452 4905 1 10 . 1 1 18 18 ILE CA C 18 59.600 59.600 60.515 -0.915 19452 4906 1 10 . 1 1 18 18 ILE H H 18 8.840 8.840 8.139 0.701 19452 4907 1 10 . 1 1 19 19 GLY C C 19 174.800 174.800 174.323 0.477 19452 4908 1 10 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.270 -1.170 19452 4909 1 10 . 1 1 20 20 ASP N N 20 119.100 119.100 119.499 -0.399 19452 4910 1 10 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.770 -0.180 19452 4911 1 10 . 1 1 20 20 ASP C C 20 179.900 179.900 175.017 4.883 19452 4912 1 10 . 1 1 20 20 ASP CA C 20 58.000 58.000 53.778 4.222 19452 4913 1 10 . 1 1 20 20 ASP H H 20 8.090 8.090 8.425 -0.335 19452 4914 1 10 . 1 1 21 21 SER N N 21 112.000 112.000 120.865 -8.865 19452 4915 1 10 . 1 1 21 21 SER HA H 21 4.320 4.320 4.889 -0.569 19452 4916 1 10 . 1 1 21 21 SER CA C 21 60.700 60.700 57.605 3.095 19452 4917 1 10 . 1 1 21 21 SER CB C 21 62.500 62.500 65.248 -2.748 19452 4918 1 10 . 1 1 21 21 SER H H 21 8.750 8.750 8.255 0.495 19452 4919 1 10 . 1 1 22 22 GLU N N 22 119.000 119.000 120.570 -1.570 19452 4920 1 10 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.191 0.389 19452 4921 1 10 . 1 1 22 22 GLU C C 22 176.000 176.000 177.720 -1.720 19452 4922 1 10 . 1 1 22 22 GLU CA C 22 56.200 56.200 57.909 -1.709 19452 4923 1 10 . 1 1 22 22 GLU CB C 22 31.600 31.600 29.901 1.699 19452 4924 1 10 . 1 1 22 22 GLU H H 22 7.660 7.660 8.890 -1.230 19452 4925 1 10 . 1 1 23 23 PHE N N 23 120.900 120.900 119.430 1.470 19452 4926 1 10 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.295 -0.725 19452 4927 1 10 . 1 1 23 23 PHE C C 23 176.500 176.500 175.052 1.448 19452 4928 1 10 . 1 1 23 23 PHE CA C 23 63.100 63.100 58.714 4.386 19452 4929 1 10 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.114 1.585 19452 4930 1 10 . 1 1 23 23 PHE H H 23 7.490 7.490 8.028 -0.538 19452 4931 1 10 . 1 1 24 24 ASP N N 24 118.500 118.500 128.537 -10.037 19452 4932 1 10 . 1 1 24 24 ASP HA H 24 4.630 4.630 4.932 -0.302 19452 4933 1 10 . 1 1 24 24 ASP C C 24 178.400 178.400 175.715 2.685 19452 4934 1 10 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.416 4.284 19452 4935 1 10 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.431 -3.231 19452 4936 1 10 . 1 1 24 24 ASP H H 24 8.900 8.900 8.843 0.057 19452 4937 1 10 . 1 1 25 25 ASN N N 25 117.200 117.200 121.124 -3.924 19452 4938 1 10 . 1 1 25 25 ASN HA H 25 4.200 4.200 5.213 -1.013 19452 4939 1 10 . 1 1 25 25 ASN C C 25 176.400 176.400 175.181 1.219 19452 4940 1 10 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.432 3.568 19452 4941 1 10 . 1 1 25 25 ASN CB C 25 39.000 39.000 38.887 0.113 19452 4942 1 10 . 1 1 26 26 LYS N N 26 112.800 112.800 118.473 -5.673 19452 4943 1 10 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.682 -0.682 19452 4944 1 10 . 1 1 26 26 LYS C C 26 175.500 175.500 174.906 0.594 19452 4945 1 10 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.212 2.088 19452 4946 1 10 . 1 1 26 26 LYS CB C 26 33.000 33.000 34.843 -1.843 19452 4947 1 10 . 1 1 26 26 LYS H H 26 7.730 7.730 8.143 -0.413 19452 4948 1 10 . 1 1 27 27 VAL N N 27 114.500 114.500 116.157 -1.657 19452 4949 1 10 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.305 -0.265 19452 4950 1 10 . 1 1 27 27 VAL C C 27 177.900 177.900 175.065 2.835 19452 4951 1 10 . 1 1 27 27 VAL CA C 27 63.700 63.700 60.737 2.962 19452 4952 1 10 . 1 1 27 27 VAL H H 27 7.680 7.680 8.085 -0.405 19452 4953 1 10 . 1 1 28 28 THR N N 28 110.000 110.000 112.314 -2.314 19452 4954 1 10 . 1 1 28 28 THR HA H 28 3.710 3.710 4.107 -0.397 19452 4955 1 10 . 1 1 28 28 THR C C 28 175.800 175.800 175.924 -0.124 19452 4956 1 10 . 1 1 28 28 THR CA C 28 65.200 65.200 64.826 0.374 19452 4957 1 10 . 1 1 28 28 THR CB C 28 68.100 68.100 69.029 -0.929 19452 4958 1 10 . 1 1 28 28 THR H H 28 7.010 7.010 8.377 -1.367 19452 4959 1 10 . 1 1 29 29 SER N N 29 113.600 113.600 113.546 0.054 19452 4960 1 10 . 1 1 29 29 SER HA H 29 4.480 4.480 4.384 0.096 19452 4961 1 10 . 1 1 29 29 SER C C 29 174.200 174.200 175.310 -1.110 19452 4962 1 10 . 1 1 29 29 SER CA C 29 58.500 58.500 60.560 -2.060 19452 4963 1 10 . 1 1 29 29 SER CB C 29 63.300 63.300 63.223 0.077 19452 4964 1 10 . 1 1 29 29 SER H H 29 8.350 8.350 8.267 0.083 19452 4965 1 10 . 1 1 30 30 CYS N N 30 120.000 120.000 118.366 1.634 19452 4966 1 10 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.619 -0.499 19452 4967 1 10 . 1 1 30 30 CYS C C 30 174.200 174.200 175.751 -1.551 19452 4968 1 10 . 1 1 30 30 CYS CA C 30 69.700 69.700 58.311 11.389 19452 4969 1 10 . 1 1 30 30 CYS CB C 30 27.800 27.800 27.201 0.599 19452 4970 1 10 . 1 1 30 30 CYS H H 30 6.810 6.810 7.307 -0.497 19452 4971 1 10 . 1 1 31 31 ASN N N 31 124.300 124.300 121.292 3.008 19452 4972 1 10 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.222 0.888 19452 4973 1 10 . 1 1 31 31 ASN C C 31 174.900 174.900 176.044 -1.144 19452 4974 1 10 . 1 1 31 31 ASN CA C 31 52.400 52.400 57.108 -4.708 19452 4975 1 10 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.421 0.079 19452 4976 1 10 . 1 1 31 31 ASN H H 31 8.760 8.760 7.995 0.765 19452 4977 1 10 . 1 1 32 32 ASP N N 32 119.000 119.000 116.960 2.040 19452 4978 1 10 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.750 0.810 19452 4979 1 10 . 1 1 32 32 ASP C C 32 176.600 176.600 178.010 -1.410 19452 4980 1 10 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.543 -3.043 19452 4981 1 10 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.384 2.616 19452 4982 1 10 . 1 1 32 32 ASP H H 32 7.720 7.720 8.650 -0.930 19452 4983 1 10 . 1 1 33 33 ASN N N 33 115.400 115.400 117.880 -2.480 19452 4984 1 10 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.429 -0.259 19452 4985 1 10 . 1 1 33 33 ASN C C 33 173.700 173.700 176.541 -2.841 19452 4986 1 10 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.555 -1.255 19452 4987 1 10 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.552 -0.752 19452 4988 1 10 . 1 1 33 33 ASN H H 33 9.750 9.750 8.150 1.600 19452 4989 1 10 . 1 1 34 34 ILE N N 34 120.700 120.700 114.437 6.263 19452 4990 1 10 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.306 -0.286 19452 4991 1 10 . 1 1 34 34 ILE C C 34 175.500 175.500 176.760 -1.260 19452 4992 1 10 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.390 -2.990 19452 4993 1 10 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.328 -1.828 19452 4994 1 10 . 1 1 34 34 ILE H H 34 7.850 7.850 7.655 0.195 19452 4995 1 10 . 1 1 35 35 LEU N N 35 128.400 128.400 121.418 6.982 19452 4996 1 10 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.093 0.577 19452 4997 1 10 . 1 1 35 35 LEU C C 35 173.700 173.700 178.546 -4.846 19452 4998 1 10 . 1 1 35 35 LEU CA C 35 54.900 54.900 57.858 -2.958 19452 4999 1 10 . 1 1 35 35 LEU CB C 35 42.400 42.400 42.342 0.058 19452 5000 1 10 . 1 1 35 35 LEU H H 35 8.100 8.100 8.051 0.049 19452 5001 1 10 . 1 1 36 36 ILE N N 36 128.800 128.800 120.765 8.035 19452 5002 1 10 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.896 1.154 19452 5003 1 10 . 1 1 36 36 ILE C C 36 175.800 175.800 177.015 -1.215 19452 5004 1 10 . 1 1 36 36 ILE CA C 36 59.800 59.800 63.993 -4.193 19452 5005 1 10 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.418 2.482 19452 5006 1 10 . 1 1 36 36 ILE H H 36 9.320 9.320 7.610 1.710 19452 5007 1 10 . 1 1 37 37 LEU N N 37 129.600 129.600 120.513 9.087 19452 5008 1 10 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.342 0.928 19452 5009 1 10 . 1 1 37 37 LEU C C 37 175.500 175.500 176.930 -1.430 19452 5010 1 10 . 1 1 37 37 LEU CA C 37 54.000 54.000 54.269 -0.269 19452 5011 1 10 . 1 1 37 37 LEU CB C 37 44.800 44.800 41.883 2.917 19452 5012 1 10 . 1 1 37 37 LEU H H 37 9.400 9.400 7.711 1.689 19452 5013 1 10 . 1 1 38 38 VAL N N 38 120.100 120.100 122.222 -2.122 19452 5014 1 10 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.982 0.608 19452 5015 1 10 . 1 1 38 38 VAL C C 38 174.000 174.000 176.318 -2.318 19452 5016 1 10 . 1 1 38 38 VAL CA C 38 61.100 61.100 62.953 -1.853 19452 5017 1 10 . 1 1 38 38 VAL CB C 38 33.500 33.500 32.677 0.823 19452 5018 1 10 . 1 1 38 38 VAL H H 38 9.440 9.440 7.366 2.074 19452 5019 1 10 . 1 1 39 39 ASP N N 39 125.600 125.600 123.411 2.189 19452 5020 1 10 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.639 0.531 19452 5021 1 10 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.157 -2.256 19452 5022 1 10 . 1 1 39 39 ASP CB C 39 38.800 38.800 40.714 -1.914 19452 5023 1 10 . 1 1 39 39 ASP H H 39 9.240 9.240 8.687 0.553 19452 5024 1 10 . 1 1 40 40 PHE N N 40 119.600 119.600 119.344 0.256 19452 5025 1 10 . 1 1 40 40 PHE H H 40 8.860 8.860 7.642 1.218 19452 5026 1 10 . 1 1 53 53 PRO HA H 53 4.410 4.410 3.373 1.037 19452 5027 1 10 . 1 1 53 53 PRO CA C 53 65.500 65.500 64.043 1.457 19452 5028 1 10 . 1 1 53 53 PRO CB C 53 30.800 30.800 29.794 1.006 19452 5029 1 10 . 1 1 54 54 GLN N N 54 115.300 115.300 126.052 -10.752 19452 5030 1 10 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.246 -0.046 19452 5031 1 10 . 1 1 54 54 GLN C C 54 179.400 179.400 174.667 4.733 19452 5032 1 10 . 1 1 54 54 GLN CA C 54 58.000 58.000 55.608 2.392 19452 5033 1 10 . 1 1 54 54 GLN H H 54 7.080 7.080 7.760 -0.680 19452 5034 1 10 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.506 -0.516 19452 5035 1 10 . 1 1 55 55 LEU C C 55 178.700 178.700 176.443 2.257 19452 5036 1 10 . 1 1 55 55 LEU CA C 55 57.300 57.300 56.003 1.297 19452 5037 1 10 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.825 -1.525 19452 5038 1 10 . 1 1 56 56 GLU N N 56 118.900 118.900 118.067 0.833 19452 5039 1 10 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.680 -0.840 19452 5040 1 10 . 1 1 56 56 GLU C C 56 179.100 179.100 175.689 3.411 19452 5041 1 10 . 1 1 56 56 GLU CA C 56 59.500 59.500 54.669 4.831 19452 5042 1 10 . 1 1 56 56 GLU CB C 56 29.000 29.000 29.018 -0.018 19452 5043 1 10 . 1 1 56 56 GLU H H 56 8.150 8.150 8.494 -0.344 19452 5044 1 10 . 1 1 57 57 LYS N N 57 117.000 117.000 117.481 -0.481 19452 5045 1 10 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.054 0.016 19452 5046 1 10 . 1 1 57 57 LYS C C 57 179.800 179.800 175.060 4.740 19452 5047 1 10 . 1 1 57 57 LYS CA C 57 59.000 59.000 57.138 1.863 19452 5048 1 10 . 1 1 57 57 LYS CB C 57 31.900 31.900 30.777 1.123 19452 5049 1 10 . 1 1 57 57 LYS H H 57 7.160 7.160 7.904 -0.744 19452 5050 1 10 . 1 1 58 58 LEU N N 58 119.900 119.900 119.079 0.821 19452 5051 1 10 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.192 0.008 19452 5052 1 10 . 1 1 58 58 LEU C C 58 178.700 178.700 177.043 1.657 19452 5053 1 10 . 1 1 58 58 LEU CA C 58 57.700 57.700 55.679 2.021 19452 5054 1 10 . 1 1 58 58 LEU CB C 58 41.700 41.700 41.508 0.192 19452 5055 1 10 . 1 1 58 58 LEU H H 58 7.650 7.650 8.068 -0.418 19452 5056 1 10 . 1 1 59 59 ALA N N 59 120.700 120.700 126.406 -5.706 19452 5057 1 10 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.565 -0.705 19452 5058 1 10 . 1 1 59 59 ALA C C 59 180.000 180.000 177.460 2.540 19452 5059 1 10 . 1 1 59 59 ALA CA C 59 54.600 54.600 51.414 3.186 19452 5060 1 10 . 1 1 59 59 ALA CB C 59 18.000 18.000 18.117 -0.117 19452 5061 1 10 . 1 1 59 59 ALA H H 59 8.440 8.440 8.052 0.388 19452 5062 1 10 . 1 1 60 60 GLN N N 60 113.100 113.100 118.784 -5.684 19452 5063 1 10 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.205 -0.145 19452 5064 1 10 . 1 1 60 60 GLN C C 60 177.800 177.800 175.060 2.740 19452 5065 1 10 . 1 1 60 60 GLN CA C 60 57.500 57.500 55.794 1.706 19452 5066 1 10 . 1 1 60 60 GLN CB C 60 28.800 28.800 28.076 0.724 19452 5067 1 10 . 1 1 60 60 GLN H H 60 7.340 7.340 8.100 -0.760 19452 5068 1 10 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.232 -0.202 19452 5069 1 10 . 1 1 61 61 GLN C C 61 177.300 177.300 176.745 0.555 19452 5070 1 10 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.246 0.554 19452 5071 1 10 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.105 -0.105 19452 5072 1 10 . 1 1 62 62 TYR N N 62 117.300 117.300 118.000 -0.700 19452 5073 1 10 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.296 0.684 19452 5074 1 10 . 1 1 62 62 TYR C C 62 175.800 175.800 178.404 -2.604 19452 5075 1 10 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.451 -4.351 19452 5076 1 10 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.637 0.263 19452 5077 1 10 . 1 1 62 62 TYR H H 62 7.950 7.950 8.771 -0.821 19452 5078 1 10 . 1 1 63 63 THR N N 63 111.900 111.900 112.851 -0.951 19452 5079 1 10 . 1 1 63 63 THR HA H 63 4.190 4.190 4.031 0.159 19452 5080 1 10 . 1 1 63 63 THR C C 63 175.700 175.700 176.784 -1.084 19452 5081 1 10 . 1 1 63 63 THR CA C 63 64.600 64.600 65.324 -0.724 19452 5082 1 10 . 1 1 63 63 THR CB C 63 69.200 69.200 68.402 0.798 19452 5083 1 10 . 1 1 63 63 THR H H 63 7.110 7.110 7.638 -0.528 19452 5084 1 10 . 1 1 64 64 GLU N N 64 117.500 117.500 119.236 -1.736 19452 5085 1 10 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.926 0.374 19452 5086 1 10 . 1 1 64 64 GLU C C 64 177.400 177.400 178.981 -1.581 19452 5087 1 10 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.502 -1.502 19452 5088 1 10 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.275 0.825 19452 5089 1 10 . 1 1 64 64 GLU H H 64 8.610 8.610 7.885 0.725 19452 5090 1 10 . 1 1 65 65 ASN N N 65 113.300 113.300 118.285 -4.985 19452 5091 1 10 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.465 0.524 19452 5092 1 10 . 1 1 65 65 ASN C C 65 173.600 173.600 178.362 -4.762 19452 5093 1 10 . 1 1 65 65 ASN CA C 65 54.000 54.000 55.856 -1.856 19452 5094 1 10 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.104 2.996 19452 5095 1 10 . 1 1 65 65 ASN H H 65 8.050 8.050 8.336 -0.286 19452 5096 1 10 . 1 1 66 66 VAL N N 66 119.200 119.200 117.543 1.657 19452 5097 1 10 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.948 1.592 19452 5098 1 10 . 1 1 66 66 VAL C C 66 174.900 174.900 177.907 -3.007 19452 5099 1 10 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.103 -4.203 19452 5100 1 10 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.771 4.929 19452 5101 1 10 . 1 1 66 66 VAL H H 66 7.890 7.890 8.020 -0.130 19452 5102 1 10 . 1 1 67 67 LYS N N 67 127.600 127.600 120.157 7.443 19452 5103 1 10 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.881 0.679 19452 5104 1 10 . 1 1 67 67 LYS C C 67 173.600 173.600 178.581 -4.981 19452 5105 1 10 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.555 -5.455 19452 5106 1 10 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.688 4.512 19452 5107 1 10 . 1 1 67 67 LYS H H 67 8.700 8.700 8.220 0.480 19452 5108 1 10 . 1 1 68 68 ILE N N 68 123.200 123.200 116.525 6.675 19452 5109 1 10 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.802 0.778 19452 5110 1 10 . 1 1 68 68 ILE C C 68 173.900 173.900 179.276 -5.376 19452 5111 1 10 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.906 -3.406 19452 5112 1 10 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.886 0.614 19452 5113 1 10 . 1 1 68 68 ILE H H 68 8.770 8.770 7.616 1.154 19452 5114 1 10 . 1 1 69 69 TYR N N 69 124.400 124.400 119.679 4.721 19452 5115 1 10 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.202 1.458 19452 5116 1 10 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.671 -5.071 19452 5117 1 10 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.590 4.810 19452 5118 1 10 . 1 1 69 69 TYR H H 69 9.060 9.060 7.498 1.562 19452 5119 1 10 . 1 1 73 73 ILE C C 73 177.400 177.400 173.769 3.631 19452 5120 1 10 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.129 1.471 19452 5121 1 10 . 1 1 74 74 GLU N N 74 121.800 121.800 119.300 2.500 19452 5122 1 10 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.677 -0.397 19452 5123 1 10 . 1 1 74 74 GLU C C 74 177.800 177.800 174.532 3.268 19452 5124 1 10 . 1 1 74 74 GLU CA C 74 58.900 58.900 55.219 3.680 19452 5125 1 10 . 1 1 74 74 GLU CB C 74 29.700 29.700 33.042 -3.342 19452 5126 1 10 . 1 1 74 74 GLU H H 74 8.560 8.560 7.772 0.788 19452 5127 1 10 . 1 1 75 75 ASP N N 75 114.200 114.200 125.285 -11.085 19452 5128 1 10 . 1 1 75 75 ASP C C 75 175.800 175.800 174.168 1.632 19452 5129 1 10 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.540 2.460 19452 5130 1 10 . 1 1 75 75 ASP CB C 75 42.800 42.800 44.949 -2.149 19452 5131 1 10 . 1 1 75 75 ASP H H 75 6.840 6.840 8.812 -1.972 19452 5132 1 10 . 1 1 76 76 ASN N N 76 118.400 118.400 118.887 -0.487 19452 5133 1 10 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.413 -0.393 19452 5134 1 10 . 1 1 76 76 ASN C C 76 174.000 174.000 173.426 0.574 19452 5135 1 10 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.245 1.455 19452 5136 1 10 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.558 -0.958 19452 5137 1 10 . 1 1 76 76 ASN H H 76 7.600 7.600 8.228 -0.628 19452 5138 1 10 . 1 1 77 77 GLN N N 77 122.000 122.000 122.045 -0.045 19452 5139 1 10 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.705 0.035 19452 5140 1 10 . 1 1 77 77 GLN C C 77 177.800 177.800 173.917 3.883 19452 5141 1 10 . 1 1 77 77 GLN CA C 77 56.400 56.400 54.310 2.090 19452 5142 1 10 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.686 -3.086 19452 5143 1 10 . 1 1 77 77 GLN H H 77 9.040 9.040 9.283 -0.243 19452 5144 1 10 . 1 1 78 78 ASP N N 78 125.900 125.900 120.698 5.202 19452 5145 1 10 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.679 -1.269 19452 5146 1 10 . 1 1 78 78 ASP C C 78 178.900 178.900 174.721 4.179 19452 5147 1 10 . 1 1 78 78 ASP CA C 78 58.700 58.700 50.851 7.849 19452 5148 1 10 . 1 1 78 78 ASP CB C 78 40.000 40.000 44.503 -4.503 19452 5149 1 10 . 1 1 78 78 ASP H H 78 10.210 10.210 8.401 1.809 19452 5150 1 10 . 1 1 79 79 VAL N N 79 123.800 123.800 120.133 3.667 19452 5151 1 10 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.163 -0.673 19452 5152 1 10 . 1 1 79 79 VAL C C 79 178.400 178.400 175.526 2.874 19452 5153 1 10 . 1 1 79 79 VAL CA C 79 66.500 66.500 60.019 6.481 19452 5154 1 10 . 1 1 79 79 VAL CB C 79 30.500 30.500 31.390 -0.890 19452 5155 1 10 . 1 1 79 79 VAL H H 79 8.130 8.130 7.921 0.209 19452 5156 1 10 . 1 1 80 80 ALA N N 80 121.800 121.800 131.652 -9.852 19452 5157 1 10 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.419 -0.909 19452 5158 1 10 . 1 1 80 80 ALA C C 80 179.600 179.600 175.986 3.614 19452 5159 1 10 . 1 1 80 80 ALA CA C 80 54.900 54.900 51.250 3.650 19452 5160 1 10 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.280 -1.980 19452 5161 1 10 . 1 1 80 80 ALA H H 80 9.250 9.250 8.218 1.032 19452 5162 1 10 . 1 1 81 81 THR N N 81 113.200 113.200 114.486 -1.286 19452 5163 1 10 . 1 1 81 81 THR HA H 81 3.960 3.960 4.689 -0.729 19452 5164 1 10 . 1 1 81 81 THR C C 81 177.700 177.700 173.489 4.211 19452 5165 1 10 . 1 1 81 81 THR CA C 81 66.400 66.400 60.837 5.563 19452 5166 1 10 . 1 1 81 81 THR CB C 81 68.500 68.500 71.568 -3.068 19452 5167 1 10 . 1 1 81 81 THR H H 81 7.990 7.990 7.787 0.203 19452 5168 1 10 . 1 1 82 82 GLN N N 82 123.800 123.800 124.897 -1.097 19452 5169 1 10 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.234 -0.384 19452 5170 1 10 . 1 1 82 82 GLN C C 82 177.900 177.900 177.271 0.629 19452 5171 1 10 . 1 1 82 82 GLN CA C 82 58.900 58.900 58.328 0.573 19452 5172 1 10 . 1 1 82 82 GLN CB C 82 28.000 28.000 29.362 -1.362 19452 5173 1 10 . 1 1 82 82 GLN H H 82 8.170 8.170 8.920 -0.750 19452 5174 1 10 . 1 1 83 83 TYR N N 83 112.900 112.900 115.132 -2.232 19452 5175 1 10 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.658 -0.228 19452 5176 1 10 . 1 1 83 83 TYR C C 83 175.300 175.300 175.948 -0.648 19452 5177 1 10 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.612 0.388 19452 5178 1 10 . 1 1 83 83 TYR CB C 83 38.500 38.500 39.586 -1.086 19452 5179 1 10 . 1 1 83 83 TYR H H 83 7.780 7.780 8.336 -0.556 19452 5180 1 10 . 1 1 84 84 GLY N N 84 110.200 110.200 108.674 1.526 19452 5181 1 10 . 1 1 84 84 GLY C C 84 175.300 175.300 172.721 2.579 19452 5182 1 10 . 1 1 84 84 GLY CA C 84 47.100 47.100 44.478 2.622 19452 5183 1 10 . 1 1 84 84 GLY H H 84 7.670 7.670 7.811 -0.141 19452 5184 1 10 . 1 1 85 85 VAL N N 85 121.300 121.300 122.759 -1.459 19452 5185 1 10 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.329 -0.459 19452 5186 1 10 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.593 1.407 19452 5187 1 10 . 1 1 85 85 VAL CB C 85 30.500 30.500 34.024 -3.524 19452 5188 1 10 . 1 1 85 85 VAL H H 85 8.500 8.500 8.431 0.069 19452 5189 1 10 . 1 1 90 90 THR HA H 90 5.170 5.170 3.993 1.177 19452 5190 1 10 . 1 1 90 90 THR C C 90 172.300 172.300 176.479 -4.179 19452 5191 1 10 . 1 1 90 90 THR CA C 90 63.500 63.500 64.636 -1.137 19452 5192 1 10 . 1 1 90 90 THR CB C 90 73.300 73.300 68.427 4.873 19452 5193 1 10 . 1 1 91 91 ILE N N 91 126.600 126.600 115.946 10.654 19452 5194 1 10 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.108 1.482 19452 5195 1 10 . 1 1 91 91 ILE C C 91 175.900 175.900 176.867 -0.967 19452 5196 1 10 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.102 -2.702 19452 5197 1 10 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.275 1.725 19452 5198 1 10 . 1 1 91 91 ILE H H 91 9.340 9.340 7.439 1.901 19452 5199 1 10 . 1 1 92 92 LEU N N 92 125.700 125.700 119.056 6.644 19452 5200 1 10 . 1 1 92 92 LEU HA H 92 5.120 5.120 3.909 1.211 19452 5201 1 10 . 1 1 92 92 LEU C C 92 176.100 176.100 176.243 -0.143 19452 5202 1 10 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.854 -1.754 19452 5203 1 10 . 1 1 92 92 LEU H H 92 9.120 9.120 7.746 1.374 19452 5204 1 10 . 1 1 93 93 MET N N 93 117.700 117.700 118.444 -0.744 19452 5205 1 10 . 1 1 93 93 MET HA H 93 5.860 5.860 4.525 1.335 19452 5206 1 10 . 1 1 93 93 MET C C 93 174.400 174.400 175.201 -0.801 19452 5207 1 10 . 1 1 93 93 MET CA C 93 54.400 54.400 53.458 0.942 19452 5208 1 10 . 1 1 93 93 MET CB C 93 34.100 34.100 34.644 -0.544 19452 5209 1 10 . 1 1 93 93 MET H H 93 8.080 8.080 8.081 -0.001 19452 5210 1 10 . 1 1 94 94 PHE N N 94 123.300 123.300 122.864 0.436 19452 5211 1 10 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.487 1.083 19452 5212 1 10 . 1 1 94 94 PHE C C 94 174.800 174.800 176.518 -1.718 19452 5213 1 10 . 1 1 94 94 PHE CA C 94 55.900 55.900 57.851 -1.951 19452 5214 1 10 . 1 1 94 94 PHE CB C 94 44.800 44.800 40.051 4.749 19452 5215 1 10 . 1 1 94 94 PHE H H 94 9.990 9.990 8.155 1.835 19452 5216 1 10 . 1 1 95 95 LYS N N 95 117.100 117.100 120.487 -3.387 19452 5217 1 10 . 1 1 95 95 LYS C C 95 176.500 176.500 177.099 -0.599 19452 5218 1 10 . 1 1 95 95 LYS CA C 95 57.500 57.500 58.050 -0.550 19452 5219 1 10 . 1 1 95 95 LYS CB C 95 37.200 37.200 32.478 4.722 19452 5220 1 10 . 1 1 95 95 LYS H H 95 8.630 8.630 8.415 0.215 19452 5221 1 10 . 1 1 96 96 ASN N N 96 130.400 130.400 111.444 18.956 19452 5222 1 10 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.579 0.241 19452 5223 1 10 . 1 1 96 96 ASN C C 96 175.900 175.900 173.553 2.347 19452 5224 1 10 . 1 1 96 96 ASN CA C 96 54.500 54.500 51.207 3.293 19452 5225 1 10 . 1 1 96 96 ASN CB C 96 36.900 36.900 38.089 -1.189 19452 5226 1 10 . 1 1 96 96 ASN H H 96 10.190 10.190 7.734 2.456 19452 5227 1 10 . 1 1 97 97 GLY C C 97 173.700 173.700 173.674 0.026 19452 5228 1 10 . 1 1 97 97 GLY CA C 97 46.000 46.000 45.241 0.759 19452 5229 1 10 . 1 1 98 98 LYS N N 98 120.300 120.300 121.225 -0.925 19452 5230 1 10 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.393 0.347 19452 5231 1 10 . 1 1 98 98 LYS C C 98 175.500 175.500 175.048 0.452 19452 5232 1 10 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.859 -1.159 19452 5233 1 10 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.059 -1.859 19452 5234 1 10 . 1 1 98 98 LYS H H 98 7.840 7.840 7.959 -0.119 19452 5235 1 10 . 1 1 99 99 LYS N N 99 124.900 124.900 123.969 0.931 19452 5236 1 10 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.190 -1.580 19452 5237 1 10 . 1 1 99 99 LYS C C 99 176.300 176.300 174.968 1.332 19452 5238 1 10 . 1 1 99 99 LYS CA C 99 56.600 56.600 54.792 1.808 19452 5239 1 10 . 1 1 99 99 LYS CB C 99 31.500 31.500 34.841 -3.341 19452 5240 1 10 . 1 1 99 99 LYS H H 99 8.880 8.880 8.739 0.141 19452 5241 1 10 . 1 1 100 100 LEU N N 100 128.800 128.800 125.817 2.983 19452 5242 1 10 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.571 -0.131 19452 5243 1 10 . 1 1 100 100 LEU C C 100 177.400 177.400 175.019 2.381 19452 5244 1 10 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.530 1.770 19452 5245 1 10 . 1 1 100 100 LEU CB C 100 44.100 44.100 46.046 -1.946 19452 5246 1 10 . 1 1 100 100 LEU H H 100 9.320 9.320 8.740 0.580 19452 5247 1 10 . 1 1 101 101 SER N N 101 109.000 109.000 116.932 -7.932 19452 5248 1 10 . 1 1 101 101 SER HA H 101 4.550 4.550 5.121 -0.571 19452 5249 1 10 . 1 1 101 101 SER C C 101 172.400 172.400 173.445 -1.045 19452 5250 1 10 . 1 1 101 101 SER CA C 101 57.200 57.200 57.655 -0.455 19452 5251 1 10 . 1 1 101 101 SER CB C 101 64.400 64.400 64.112 0.288 19452 5252 1 10 . 1 1 101 101 SER H H 101 7.260 7.260 8.570 -1.310 19452 5253 1 10 . 1 1 102 102 GLN N N 102 119.900 119.900 123.905 -4.005 19452 5254 1 10 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.589 -0.369 19452 5255 1 10 . 1 1 102 102 GLN C C 102 173.800 173.800 174.836 -1.036 19452 5256 1 10 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.173 1.227 19452 5257 1 10 . 1 1 102 102 GLN CB C 102 31.800 31.800 32.696 -0.896 19452 5258 1 10 . 1 1 102 102 GLN H H 102 8.230 8.230 9.155 -0.925 19452 5259 1 10 . 1 1 103 103 VAL N N 103 123.800 123.800 120.752 3.048 19452 5260 1 10 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.350 -0.020 19452 5261 1 10 . 1 1 103 103 VAL C C 103 174.600 174.600 175.468 -0.868 19452 5262 1 10 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.621 -0.921 19452 5263 1 10 . 1 1 103 103 VAL CB C 103 34.600 34.600 34.171 0.429 19452 5264 1 10 . 1 1 103 103 VAL H H 103 9.310 9.310 9.134 0.176 19452 5265 1 10 . 1 1 104 104 ILE N N 104 129.400 129.400 128.649 0.751 19452 5266 1 10 . 1 1 104 104 ILE C C 104 176.400 176.400 176.030 0.370 19452 5267 1 10 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.593 -1.093 19452 5268 1 10 . 1 1 104 104 ILE CB C 104 38.700 38.700 36.885 1.815 19452 5269 1 10 . 1 1 104 104 ILE H H 104 8.970 8.970 8.682 0.288 19452 5270 1 10 . 1 1 105 105 GLY N N 105 115.400 115.400 101.452 13.948 19452 5271 1 10 . 1 1 105 105 GLY C C 105 172.700 172.700 173.602 -0.902 19452 5272 1 10 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.045 -1.345 19452 5273 1 10 . 1 1 105 105 GLY H H 105 8.500 8.500 8.271 0.229 19452 5274 1 10 . 1 1 106 106 ALA N N 106 120.200 120.200 122.451 -2.251 19452 5275 1 10 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.729 -0.349 19452 5276 1 10 . 1 1 106 106 ALA C C 106 176.300 176.300 176.164 0.136 19452 5277 1 10 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.611 -0.111 19452 5278 1 10 . 1 1 106 106 ALA CB C 106 18.400 18.400 21.952 -3.552 19452 5279 1 10 . 1 1 106 106 ALA H H 106 8.360 8.360 7.717 0.643 19452 5280 1 10 . 1 1 107 107 ASP N N 107 121.100 121.100 122.811 -1.711 19452 5281 1 10 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.480 -0.710 19452 5282 1 10 . 1 1 107 107 ASP C C 107 176.600 176.600 176.294 0.306 19452 5283 1 10 . 1 1 107 107 ASP CA C 107 52.600 52.600 53.684 -1.084 19452 5284 1 10 . 1 1 107 107 ASP CB C 107 40.600 40.600 42.029 -1.429 19452 5285 1 10 . 1 1 107 107 ASP H H 107 7.610 7.610 8.668 -1.058 19452 5286 1 10 . 1 1 108 108 ILE N N 108 125.700 125.700 123.126 2.574 19452 5287 1 10 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.343 -0.333 19452 5288 1 10 . 1 1 108 108 ILE C C 108 176.400 176.400 175.171 1.229 19452 5289 1 10 . 1 1 108 108 ILE CA C 108 60.700 60.700 60.994 -0.294 19452 5290 1 10 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.978 -0.678 19452 5291 1 10 . 1 1 108 108 ILE H H 108 8.550 8.550 8.623 -0.073 19452 5292 1 10 . 1 1 109 109 SER N N 109 117.700 117.700 111.093 6.607 19452 5293 1 10 . 1 1 109 109 SER HA H 109 4.180 4.180 4.566 -0.386 19452 5294 1 10 . 1 1 109 109 SER C C 109 177.300 177.300 172.093 5.207 19452 5295 1 10 . 1 1 109 109 SER CA C 109 61.700 61.700 58.040 3.660 19452 5296 1 10 . 1 1 109 109 SER CB C 109 62.100 62.100 65.026 -2.926 19452 5297 1 10 . 1 1 109 109 SER H H 109 8.330 8.330 7.460 0.870 19452 5298 1 10 . 1 1 110 110 LYS N N 110 123.200 123.200 120.796 2.404 19452 5299 1 10 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.751 -0.531 19452 5300 1 10 . 1 1 110 110 LYS CA C 110 58.100 58.100 54.984 3.116 19452 5301 1 10 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.668 -2.368 19452 5302 1 10 . 1 1 110 110 LYS H H 110 7.480 7.480 8.435 -0.955 19452 5303 1 10 . 1 1 111 111 ILE N N 111 119.300 119.300 125.121 -5.821 19452 5304 1 10 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.304 -0.274 19452 5305 1 10 . 1 1 111 111 ILE C C 111 177.200 177.200 174.355 2.845 19452 5306 1 10 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.483 0.616 19452 5307 1 10 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.757 -1.957 19452 5308 1 10 . 1 1 111 111 ILE H H 111 7.640 7.640 8.001 -0.361 19452 5309 1 10 . 1 1 112 112 ILE N N 112 118.700 118.700 125.740 -7.040 19452 5310 1 10 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.192 -0.762 19452 5311 1 10 . 1 1 112 112 ILE C C 112 177.700 177.700 175.705 1.995 19452 5312 1 10 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.735 5.365 19452 5313 1 10 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.391 0.109 19452 5314 1 10 . 1 1 112 112 ILE H H 112 8.410 8.410 8.498 -0.088 19452 5315 1 10 . 1 1 113 113 SER N N 113 113.800 113.800 123.215 -9.415 19452 5316 1 10 . 1 1 113 113 SER HA H 113 4.200 4.200 4.326 -0.126 19452 5317 1 10 . 1 1 113 113 SER C C 113 177.200 177.200 172.636 4.564 19452 5318 1 10 . 1 1 113 113 SER CA C 113 62.000 62.000 57.651 4.349 19452 5319 1 10 . 1 1 113 113 SER H H 113 7.920 7.920 8.550 -0.630 19452 5320 1 10 . 1 1 114 114 GLU N N 114 119.400 119.400 120.766 -1.366 19452 5321 1 10 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.663 -0.513 19452 5322 1 10 . 1 1 114 114 GLU C C 114 179.900 179.900 174.652 5.248 19452 5323 1 10 . 1 1 114 114 GLU CA C 114 58.500 58.500 56.268 2.232 19452 5324 1 10 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.586 -3.286 19452 5325 1 10 . 1 1 114 114 GLU H H 114 8.010 8.010 8.587 -0.577 19452 5326 1 10 . 1 1 115 115 ILE N N 115 121.700 121.700 125.486 -3.786 19452 5327 1 10 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.329 -0.949 19452 5328 1 10 . 1 1 115 115 ILE C C 115 178.100 178.100 174.764 3.336 19452 5329 1 10 . 1 1 115 115 ILE CA C 115 66.000 66.000 61.599 4.401 19452 5330 1 10 . 1 1 115 115 ILE CB C 115 37.700 37.700 40.985 -3.285 19452 5331 1 10 . 1 1 115 115 ILE H H 115 8.370 8.370 7.988 0.382 19452 5332 1 10 . 1 1 116 116 ASN N N 116 116.100 116.100 123.958 -7.858 19452 5333 1 10 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.387 -0.057 19452 5334 1 10 . 1 1 116 116 ASN C C 116 177.900 177.900 175.911 1.989 19452 5335 1 10 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.489 0.411 19452 5336 1 10 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.924 -1.324 19452 5337 1 10 . 1 1 116 116 ASN H H 116 8.230 8.230 8.902 -0.672 19452 5338 1 10 . 1 1 117 117 ASN N N 117 115.400 115.400 117.032 -1.632 19452 5339 1 10 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.444 0.186 19452 5340 1 10 . 1 1 117 117 ASN C C 117 176.200 176.200 177.479 -1.279 19452 5341 1 10 . 1 1 117 117 ASN CA C 117 54.300 54.300 56.322 -2.022 19452 5342 1 10 . 1 1 117 117 ASN CB C 117 39.100 39.100 37.784 1.316 19452 5343 1 10 . 1 1 117 117 ASN H H 117 7.930 7.930 8.578 -0.648 19452 5344 1 10 . 1 1 118 118 ASN N N 118 115.400 115.400 121.234 -5.834 19452 5345 1 10 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.683 0.327 19452 5346 1 10 . 1 1 118 118 ASN C C 118 174.400 174.400 177.413 -3.013 19452 5347 1 10 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.016 -0.816 19452 5348 1 10 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.756 3.444 19452 5349 1 10 . 1 1 118 118 ASN H H 118 7.710 7.710 7.633 0.077 19452 5350 1 10 . 1 1 119 119 ILE N N 119 117.300 117.300 118.333 -1.033 19452 5351 1 10 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.734 0.586 19452 5352 1 10 . 1 1 119 119 ILE C C 119 174.900 174.900 177.958 -3.058 19452 5353 1 10 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.615 -2.416 19452 5354 1 10 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.477 1.724 19452 5355 1 10 . 1 1 119 119 ILE H H 119 7.520 7.520 8.041 -0.521 19452 5356 1 10 . 1 1 120 120 ASN N N 120 124.900 124.900 114.224 10.676 19452 5357 1 10 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.513 -0.003 19452 5358 1 10 . 1 1 120 120 ASN CA C 120 55.000 55.000 56.275 -1.275 19452 5359 1 10 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.919 2.280 19452 5360 1 10 . 1 1 120 120 ASN H H 120 7.960 7.960 8.067 -0.107 19452 5361 1 11 . 1 1 2 2 GLY N N 2 109.900 109.900 112.180 -2.280 19452 5362 1 11 . 1 1 2 2 GLY C C 2 174.400 174.400 172.436 1.964 19452 5363 1 11 . 1 1 2 2 GLY CA C 2 45.600 45.600 44.880 0.720 19452 5364 1 11 . 1 1 2 2 GLY H H 2 8.480 8.480 8.448 0.032 19452 5365 1 11 . 1 1 3 3 THR N N 3 113.700 113.700 114.653 -0.953 19452 5366 1 11 . 1 1 3 3 THR C C 3 174.900 174.900 172.635 2.265 19452 5367 1 11 . 1 1 3 3 THR CA C 3 62.400 62.400 61.997 0.403 19452 5368 1 11 . 1 1 3 3 THR CB C 3 70.000 70.000 70.125 -0.125 19452 5369 1 11 . 1 1 3 3 THR H H 3 8.090 8.090 9.027 -0.937 19452 5370 1 11 . 1 1 4 4 LEU N N 4 124.100 124.100 122.300 1.800 19452 5371 1 11 . 1 1 4 4 LEU C C 4 177.600 177.600 175.265 2.335 19452 5372 1 11 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.591 1.109 19452 5373 1 11 . 1 1 4 4 LEU CB C 4 42.300 42.300 43.456 -1.156 19452 5374 1 11 . 1 1 4 4 LEU H H 4 8.400 8.400 8.651 -0.251 19452 5375 1 11 . 1 1 5 5 GLU N N 5 121.600 121.600 119.355 2.245 19452 5376 1 11 . 1 1 5 5 GLU C C 5 176.500 176.500 175.242 1.258 19452 5377 1 11 . 1 1 5 5 GLU CA C 5 57.000 57.000 55.265 1.735 19452 5378 1 11 . 1 1 5 5 GLU CB C 5 29.900 29.900 31.686 -1.786 19452 5379 1 11 . 1 1 5 5 GLU H H 5 8.430 8.430 8.471 -0.041 19452 5380 1 11 . 1 1 6 6 ALA N N 6 124.500 124.500 123.528 0.972 19452 5381 1 11 . 1 1 6 6 ALA C C 6 177.900 177.900 176.149 1.751 19452 5382 1 11 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.634 1.266 19452 5383 1 11 . 1 1 6 6 ALA CB C 6 19.200 19.200 19.361 -0.161 19452 5384 1 11 . 1 1 6 6 ALA H H 6 8.330 8.330 8.571 -0.241 19452 5385 1 11 . 1 1 7 7 GLN N N 7 119.200 119.200 126.249 -7.049 19452 5386 1 11 . 1 1 7 7 GLN C C 7 176.400 176.400 174.276 2.124 19452 5387 1 11 . 1 1 7 7 GLN CA C 7 56.000 56.000 56.227 -0.227 19452 5388 1 11 . 1 1 7 7 GLN CB C 7 29.200 29.200 31.645 -2.445 19452 5389 1 11 . 1 1 7 7 GLN H H 7 8.400 8.400 8.937 -0.536 19452 5390 1 11 . 1 1 8 8 THR N N 8 115.100 115.100 115.809 -0.709 19452 5391 1 11 . 1 1 8 8 THR C C 8 174.500 174.500 173.150 1.350 19452 5392 1 11 . 1 1 8 8 THR CA C 8 62.300 62.300 61.391 0.909 19452 5393 1 11 . 1 1 8 8 THR CB C 8 70.000 70.000 70.294 -0.295 19452 5394 1 11 . 1 1 8 8 THR H H 8 8.210 8.210 8.207 0.003 19452 5395 1 11 . 1 1 9 9 GLN N N 9 122.300 122.300 119.702 2.598 19452 5396 1 11 . 1 1 9 9 GLN C C 9 176.100 176.100 175.028 1.072 19452 5397 1 11 . 1 1 9 9 GLN CA C 9 55.900 55.900 55.135 0.765 19452 5398 1 11 . 1 1 9 9 GLN CB C 9 29.500 29.500 30.180 -0.680 19452 5399 1 11 . 1 1 9 9 GLN H H 9 8.470 8.470 8.433 0.037 19452 5400 1 11 . 1 1 10 10 GLY N N 10 110.300 110.300 105.796 4.504 19452 5401 1 11 . 1 1 10 10 GLY CA C 10 44.400 44.400 44.576 -0.176 19452 5402 1 11 . 1 1 10 10 GLY H H 10 8.360 8.360 8.252 0.108 19452 5403 1 11 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.585 -0.145 19452 5404 1 11 . 1 1 11 11 PRO C C 11 177.800 177.800 177.182 0.618 19452 5405 1 11 . 1 1 11 11 PRO CA C 11 63.300 63.300 62.104 1.196 19452 5406 1 11 . 1 1 11 11 PRO CB C 11 32.000 32.000 33.224 -1.224 19452 5407 1 11 . 1 1 12 12 GLY N N 12 109.600 109.600 115.345 -5.745 19452 5408 1 11 . 1 1 12 12 GLY CA C 12 44.900 44.900 46.444 -1.544 19452 5409 1 11 . 1 1 12 12 GLY H H 12 8.600 8.600 8.663 -0.063 19452 5410 1 11 . 1 1 13 13 SER N N 13 114.700 114.700 113.038 1.662 19452 5411 1 11 . 1 1 13 13 SER HA H 13 4.510 4.510 4.889 -0.379 19452 5412 1 11 . 1 1 13 13 SER C C 13 175.300 175.300 174.212 1.088 19452 5413 1 11 . 1 1 13 13 SER CA C 13 57.800 57.800 58.243 -0.443 19452 5414 1 11 . 1 1 13 13 SER CB C 13 62.300 62.300 64.983 -2.683 19452 5415 1 11 . 1 1 13 13 SER H H 13 8.130 8.130 8.177 -0.047 19452 5416 1 11 . 1 1 14 14 MET N N 14 124.300 124.300 120.334 3.966 19452 5417 1 11 . 1 1 14 14 MET HA H 14 4.470 4.470 4.315 0.155 19452 5418 1 11 . 1 1 14 14 MET CA C 14 55.700 55.700 56.136 -0.436 19452 5419 1 11 . 1 1 14 14 MET CB C 14 32.700 32.700 31.196 1.504 19452 5420 1 11 . 1 1 14 14 MET H H 14 9.430 9.430 8.257 1.173 19452 5421 1 11 . 1 1 15 15 ILE N N 15 122.600 122.600 118.230 4.370 19452 5422 1 11 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.796 -0.786 19452 5423 1 11 . 1 1 15 15 ILE C C 15 175.300 175.300 176.128 -0.828 19452 5424 1 11 . 1 1 15 15 ILE CA C 15 60.700 60.700 61.154 -0.454 19452 5425 1 11 . 1 1 15 15 ILE CB C 15 37.500 37.500 38.717 -1.217 19452 5426 1 11 . 1 1 15 15 ILE H H 15 8.520 8.520 8.200 0.320 19452 5427 1 11 . 1 1 16 16 GLU N N 16 129.300 129.300 120.742 8.558 19452 5428 1 11 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.377 -0.007 19452 5429 1 11 . 1 1 16 16 GLU C C 16 175.500 175.500 175.891 -0.391 19452 5430 1 11 . 1 1 16 16 GLU CA C 16 56.100 56.100 57.271 -1.171 19452 5431 1 11 . 1 1 16 16 GLU CB C 16 31.400 31.400 30.390 1.010 19452 5432 1 11 . 1 1 16 16 GLU H H 16 8.220 8.220 8.633 -0.413 19452 5433 1 11 . 1 1 17 17 GLN N N 17 124.500 124.500 118.871 5.629 19452 5434 1 11 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.486 0.634 19452 5435 1 11 . 1 1 17 17 GLN C C 17 176.000 176.000 173.967 2.033 19452 5436 1 11 . 1 1 17 17 GLN CA C 17 55.200 55.200 55.768 -0.568 19452 5437 1 11 . 1 1 17 17 GLN CB C 17 30.400 30.400 31.324 -0.924 19452 5438 1 11 . 1 1 17 17 GLN H H 17 8.810 8.810 8.016 0.794 19452 5439 1 11 . 1 1 18 18 ILE N N 18 118.700 118.700 121.382 -2.682 19452 5440 1 11 . 1 1 18 18 ILE C C 18 174.400 174.400 174.167 0.233 19452 5441 1 11 . 1 1 18 18 ILE CA C 18 59.600 59.600 60.866 -1.266 19452 5442 1 11 . 1 1 18 18 ILE H H 18 8.840 8.840 8.258 0.582 19452 5443 1 11 . 1 1 19 19 GLY C C 19 174.800 174.800 173.755 1.045 19452 5444 1 11 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.183 -1.083 19452 5445 1 11 . 1 1 20 20 ASP N N 20 119.100 119.100 116.007 3.093 19452 5446 1 11 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.845 -0.255 19452 5447 1 11 . 1 1 20 20 ASP C C 20 179.900 179.900 174.662 5.238 19452 5448 1 11 . 1 1 20 20 ASP CA C 20 58.000 58.000 53.933 4.067 19452 5449 1 11 . 1 1 20 20 ASP H H 20 8.090 8.090 8.073 0.017 19452 5450 1 11 . 1 1 21 21 SER N N 21 112.000 112.000 120.678 -8.678 19452 5451 1 11 . 1 1 21 21 SER HA H 21 4.320 4.320 4.555 -0.235 19452 5452 1 11 . 1 1 21 21 SER CA C 21 60.700 60.700 59.072 1.629 19452 5453 1 11 . 1 1 21 21 SER CB C 21 62.500 62.500 64.315 -1.815 19452 5454 1 11 . 1 1 21 21 SER H H 21 8.750 8.750 8.866 -0.116 19452 5455 1 11 . 1 1 22 22 GLU N N 22 119.000 119.000 121.200 -2.200 19452 5456 1 11 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.374 0.206 19452 5457 1 11 . 1 1 22 22 GLU C C 22 176.000 176.000 176.322 -0.322 19452 5458 1 11 . 1 1 22 22 GLU CA C 22 56.200 56.200 56.493 -0.293 19452 5459 1 11 . 1 1 22 22 GLU CB C 22 31.600 31.600 30.886 0.714 19452 5460 1 11 . 1 1 22 22 GLU H H 22 7.660 7.660 8.290 -0.630 19452 5461 1 11 . 1 1 23 23 PHE N N 23 120.900 120.900 120.070 0.830 19452 5462 1 11 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.537 -0.967 19452 5463 1 11 . 1 1 23 23 PHE C C 23 176.500 176.500 174.788 1.712 19452 5464 1 11 . 1 1 23 23 PHE CA C 23 63.100 63.100 58.281 4.819 19452 5465 1 11 . 1 1 23 23 PHE CB C 23 40.700 40.700 38.852 1.848 19452 5466 1 11 . 1 1 23 23 PHE H H 23 7.490 7.490 8.112 -0.622 19452 5467 1 11 . 1 1 24 24 ASP N N 24 118.500 118.500 125.621 -7.121 19452 5468 1 11 . 1 1 24 24 ASP HA H 24 4.630 4.630 4.986 -0.356 19452 5469 1 11 . 1 1 24 24 ASP C C 24 178.400 178.400 174.764 3.636 19452 5470 1 11 . 1 1 24 24 ASP CA C 24 56.700 56.700 51.967 4.733 19452 5471 1 11 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.961 -3.761 19452 5472 1 11 . 1 1 24 24 ASP H H 24 8.900 8.900 8.821 0.079 19452 5473 1 11 . 1 1 25 25 ASN N N 25 117.200 117.200 118.612 -1.412 19452 5474 1 11 . 1 1 25 25 ASN HA H 25 4.200 4.200 5.004 -0.804 19452 5475 1 11 . 1 1 25 25 ASN C C 25 176.400 176.400 175.110 1.290 19452 5476 1 11 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.891 3.109 19452 5477 1 11 . 1 1 25 25 ASN CB C 25 39.000 39.000 39.506 -0.506 19452 5478 1 11 . 1 1 26 26 LYS N N 26 112.800 112.800 116.979 -4.179 19452 5479 1 11 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.806 -0.806 19452 5480 1 11 . 1 1 26 26 LYS C C 26 175.500 175.500 175.084 0.416 19452 5481 1 11 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.303 1.996 19452 5482 1 11 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.108 -2.108 19452 5483 1 11 . 1 1 26 26 LYS H H 26 7.730 7.730 8.851 -1.121 19452 5484 1 11 . 1 1 27 27 VAL N N 27 114.500 114.500 116.337 -1.837 19452 5485 1 11 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.339 -0.299 19452 5486 1 11 . 1 1 27 27 VAL C C 27 177.900 177.900 175.022 2.878 19452 5487 1 11 . 1 1 27 27 VAL CA C 27 63.700 63.700 60.831 2.869 19452 5488 1 11 . 1 1 27 27 VAL H H 27 7.680 7.680 7.976 -0.296 19452 5489 1 11 . 1 1 28 28 THR N N 28 110.000 110.000 113.607 -3.607 19452 5490 1 11 . 1 1 28 28 THR HA H 28 3.710 3.710 4.181 -0.471 19452 5491 1 11 . 1 1 28 28 THR C C 28 175.800 175.800 176.365 -0.565 19452 5492 1 11 . 1 1 28 28 THR CA C 28 65.200 65.200 64.427 0.773 19452 5493 1 11 . 1 1 28 28 THR CB C 28 68.100 68.100 68.799 -0.699 19452 5494 1 11 . 1 1 28 28 THR H H 28 7.010 7.010 8.624 -1.614 19452 5495 1 11 . 1 1 29 29 SER N N 29 113.600 113.600 113.101 0.499 19452 5496 1 11 . 1 1 29 29 SER HA H 29 4.480 4.480 4.371 0.109 19452 5497 1 11 . 1 1 29 29 SER C C 29 174.200 174.200 175.168 -0.968 19452 5498 1 11 . 1 1 29 29 SER CA C 29 58.500 58.500 60.488 -1.988 19452 5499 1 11 . 1 1 29 29 SER CB C 29 63.300 63.300 63.415 -0.115 19452 5500 1 11 . 1 1 29 29 SER H H 29 8.350 8.350 8.083 0.267 19452 5501 1 11 . 1 1 30 30 CYS N N 30 120.000 120.000 118.329 1.671 19452 5502 1 11 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.523 -0.403 19452 5503 1 11 . 1 1 30 30 CYS C C 30 174.200 174.200 175.814 -1.614 19452 5504 1 11 . 1 1 30 30 CYS CA C 30 69.700 69.700 59.062 10.638 19452 5505 1 11 . 1 1 30 30 CYS CB C 30 27.800 27.800 26.904 0.896 19452 5506 1 11 . 1 1 30 30 CYS H H 30 6.810 6.810 8.160 -1.350 19452 5507 1 11 . 1 1 31 31 ASN N N 31 124.300 124.300 120.760 3.540 19452 5508 1 11 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.223 0.887 19452 5509 1 11 . 1 1 31 31 ASN C C 31 174.900 174.900 175.969 -1.069 19452 5510 1 11 . 1 1 31 31 ASN CA C 31 52.400 52.400 56.687 -4.287 19452 5511 1 11 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.344 0.156 19452 5512 1 11 . 1 1 31 31 ASN H H 31 8.760 8.760 8.087 0.673 19452 5513 1 11 . 1 1 32 32 ASP N N 32 119.000 119.000 116.636 2.364 19452 5514 1 11 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.843 0.717 19452 5515 1 11 . 1 1 32 32 ASP C C 32 176.600 176.600 178.834 -2.234 19452 5516 1 11 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.556 -3.056 19452 5517 1 11 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.497 2.503 19452 5518 1 11 . 1 1 32 32 ASP H H 32 7.720 7.720 8.672 -0.952 19452 5519 1 11 . 1 1 33 33 ASN N N 33 115.400 115.400 118.560 -3.160 19452 5520 1 11 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.434 -0.264 19452 5521 1 11 . 1 1 33 33 ASN C C 33 173.700 173.700 176.443 -2.743 19452 5522 1 11 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.642 -1.342 19452 5523 1 11 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.679 -0.879 19452 5524 1 11 . 1 1 33 33 ASN H H 33 9.750 9.750 8.193 1.557 19452 5525 1 11 . 1 1 34 34 ILE N N 34 120.700 120.700 115.323 5.377 19452 5526 1 11 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.301 -0.281 19452 5527 1 11 . 1 1 34 34 ILE C C 34 175.500 175.500 176.891 -1.391 19452 5528 1 11 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.237 -2.837 19452 5529 1 11 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.666 -2.166 19452 5530 1 11 . 1 1 34 34 ILE H H 34 7.850 7.850 7.650 0.200 19452 5531 1 11 . 1 1 35 35 LEU N N 35 128.400 128.400 121.356 7.044 19452 5532 1 11 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.203 0.467 19452 5533 1 11 . 1 1 35 35 LEU C C 35 173.700 173.700 177.851 -4.151 19452 5534 1 11 . 1 1 35 35 LEU CA C 35 54.900 54.900 57.688 -2.788 19452 5535 1 11 . 1 1 35 35 LEU CB C 35 42.400 42.400 41.966 0.434 19452 5536 1 11 . 1 1 35 35 LEU H H 35 8.100 8.100 8.110 -0.010 19452 5537 1 11 . 1 1 36 36 ILE N N 36 128.800 128.800 120.074 8.726 19452 5538 1 11 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.910 1.140 19452 5539 1 11 . 1 1 36 36 ILE C C 36 175.800 175.800 177.773 -1.973 19452 5540 1 11 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.129 -4.329 19452 5541 1 11 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.288 2.612 19452 5542 1 11 . 1 1 36 36 ILE H H 36 9.320 9.320 7.566 1.754 19452 5543 1 11 . 1 1 37 37 LEU N N 37 129.600 129.600 120.922 8.678 19452 5544 1 11 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.224 1.046 19452 5545 1 11 . 1 1 37 37 LEU C C 37 175.500 175.500 176.625 -1.125 19452 5546 1 11 . 1 1 37 37 LEU CA C 37 54.000 54.000 55.979 -1.979 19452 5547 1 11 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.119 2.681 19452 5548 1 11 . 1 1 37 37 LEU H H 37 9.400 9.400 7.562 1.838 19452 5549 1 11 . 1 1 38 38 VAL N N 38 120.100 120.100 123.480 -3.380 19452 5550 1 11 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.903 0.687 19452 5551 1 11 . 1 1 38 38 VAL C C 38 174.000 174.000 175.635 -1.635 19452 5552 1 11 . 1 1 38 38 VAL CA C 38 61.100 61.100 63.990 -2.890 19452 5553 1 11 . 1 1 38 38 VAL CB C 38 33.500 33.500 31.449 2.051 19452 5554 1 11 . 1 1 38 38 VAL H H 38 9.440 9.440 7.434 2.006 19452 5555 1 11 . 1 1 39 39 ASP N N 39 125.600 125.600 126.354 -0.754 19452 5556 1 11 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.756 0.414 19452 5557 1 11 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.417 -2.517 19452 5558 1 11 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.341 -2.541 19452 5559 1 11 . 1 1 39 39 ASP H H 39 9.240 9.240 8.548 0.692 19452 5560 1 11 . 1 1 40 40 PHE N N 40 119.600 119.600 119.030 0.570 19452 5561 1 11 . 1 1 40 40 PHE H H 40 8.860 8.860 7.926 0.934 19452 5562 1 11 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.239 0.172 19452 5563 1 11 . 1 1 53 53 PRO CA C 53 65.500 65.500 63.676 1.824 19452 5564 1 11 . 1 1 53 53 PRO CB C 53 30.800 30.800 31.987 -1.187 19452 5565 1 11 . 1 1 54 54 GLN N N 54 115.300 115.300 119.217 -3.917 19452 5566 1 11 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.676 -0.476 19452 5567 1 11 . 1 1 54 54 GLN C C 54 179.400 179.400 173.418 5.982 19452 5568 1 11 . 1 1 54 54 GLN CA C 54 58.000 58.000 55.088 2.912 19452 5569 1 11 . 1 1 54 54 GLN H H 54 7.080 7.080 7.760 -0.680 19452 5570 1 11 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.522 -0.532 19452 5571 1 11 . 1 1 55 55 LEU C C 55 178.700 178.700 177.207 1.493 19452 5572 1 11 . 1 1 55 55 LEU CA C 55 57.300 57.300 54.891 2.409 19452 5573 1 11 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.354 -1.054 19452 5574 1 11 . 1 1 56 56 GLU N N 56 118.900 118.900 119.414 -0.514 19452 5575 1 11 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.221 -0.381 19452 5576 1 11 . 1 1 56 56 GLU C C 56 179.100 179.100 176.242 2.858 19452 5577 1 11 . 1 1 56 56 GLU CA C 56 59.500 59.500 56.424 3.076 19452 5578 1 11 . 1 1 56 56 GLU CB C 56 29.000 29.000 31.285 -2.285 19452 5579 1 11 . 1 1 56 56 GLU H H 56 8.150 8.150 8.056 0.094 19452 5580 1 11 . 1 1 57 57 LYS N N 57 117.000 117.000 120.965 -3.965 19452 5581 1 11 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.244 -0.174 19452 5582 1 11 . 1 1 57 57 LYS C C 57 179.800 179.800 176.107 3.693 19452 5583 1 11 . 1 1 57 57 LYS CA C 57 59.000 59.000 56.054 2.946 19452 5584 1 11 . 1 1 57 57 LYS CB C 57 31.900 31.900 32.359 -0.459 19452 5585 1 11 . 1 1 57 57 LYS H H 57 7.160 7.160 8.330 -1.170 19452 5586 1 11 . 1 1 58 58 LEU N N 58 119.900 119.900 123.351 -3.451 19452 5587 1 11 . 1 1 58 58 LEU HA H 58 4.200 4.200 3.831 0.369 19452 5588 1 11 . 1 1 58 58 LEU C C 58 178.700 178.700 177.049 1.651 19452 5589 1 11 . 1 1 58 58 LEU CA C 58 57.700 57.700 55.609 2.091 19452 5590 1 11 . 1 1 58 58 LEU CB C 58 41.700 41.700 41.830 -0.130 19452 5591 1 11 . 1 1 58 58 LEU H H 58 7.650 7.650 7.433 0.217 19452 5592 1 11 . 1 1 59 59 ALA N N 59 120.700 120.700 122.796 -2.096 19452 5593 1 11 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.263 -0.403 19452 5594 1 11 . 1 1 59 59 ALA C C 59 180.000 180.000 175.946 4.054 19452 5595 1 11 . 1 1 59 59 ALA CA C 59 54.600 54.600 53.478 1.122 19452 5596 1 11 . 1 1 59 59 ALA CB C 59 18.000 18.000 19.127 -1.127 19452 5597 1 11 . 1 1 59 59 ALA H H 59 8.440 8.440 7.883 0.557 19452 5598 1 11 . 1 1 60 60 GLN N N 60 113.100 113.100 117.223 -4.123 19452 5599 1 11 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.754 -0.694 19452 5600 1 11 . 1 1 60 60 GLN C C 60 177.800 177.800 173.980 3.820 19452 5601 1 11 . 1 1 60 60 GLN CA C 60 57.500 57.500 54.028 3.472 19452 5602 1 11 . 1 1 60 60 GLN CB C 60 28.800 28.800 28.179 0.621 19452 5603 1 11 . 1 1 60 60 GLN H H 60 7.340 7.340 8.490 -1.150 19452 5604 1 11 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.293 -0.263 19452 5605 1 11 . 1 1 61 61 GLN C C 61 177.300 177.300 176.401 0.899 19452 5606 1 11 . 1 1 61 61 GLN CA C 61 57.800 57.800 56.846 0.954 19452 5607 1 11 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.176 -0.176 19452 5608 1 11 . 1 1 62 62 TYR N N 62 117.300 117.300 118.928 -1.628 19452 5609 1 11 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.278 0.702 19452 5610 1 11 . 1 1 62 62 TYR C C 62 175.800 175.800 178.132 -2.332 19452 5611 1 11 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.887 -4.787 19452 5612 1 11 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.342 0.558 19452 5613 1 11 . 1 1 62 62 TYR H H 62 7.950 7.950 8.843 -0.893 19452 5614 1 11 . 1 1 63 63 THR N N 63 111.900 111.900 110.538 1.362 19452 5615 1 11 . 1 1 63 63 THR HA H 63 4.190 4.190 4.095 0.095 19452 5616 1 11 . 1 1 63 63 THR C C 63 175.700 175.700 176.652 -0.952 19452 5617 1 11 . 1 1 63 63 THR CA C 63 64.600 64.600 65.954 -1.354 19452 5618 1 11 . 1 1 63 63 THR CB C 63 69.200 69.200 67.765 1.435 19452 5619 1 11 . 1 1 63 63 THR H H 63 7.110 7.110 7.505 -0.395 19452 5620 1 11 . 1 1 64 64 GLU N N 64 117.500 117.500 119.811 -2.311 19452 5621 1 11 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.984 0.316 19452 5622 1 11 . 1 1 64 64 GLU C C 64 177.400 177.400 179.134 -1.734 19452 5623 1 11 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.526 -1.526 19452 5624 1 11 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.060 1.040 19452 5625 1 11 . 1 1 64 64 GLU H H 64 8.610 8.610 7.735 0.875 19452 5626 1 11 . 1 1 65 65 ASN N N 65 113.300 113.300 118.275 -4.975 19452 5627 1 11 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.469 0.521 19452 5628 1 11 . 1 1 65 65 ASN C C 65 173.600 173.600 178.191 -4.591 19452 5629 1 11 . 1 1 65 65 ASN CA C 65 54.000 54.000 56.133 -2.134 19452 5630 1 11 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.543 2.557 19452 5631 1 11 . 1 1 65 65 ASN H H 65 8.050 8.050 8.144 -0.094 19452 5632 1 11 . 1 1 66 66 VAL N N 66 119.200 119.200 118.033 1.167 19452 5633 1 11 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.789 1.751 19452 5634 1 11 . 1 1 66 66 VAL C C 66 174.900 174.900 178.123 -3.223 19452 5635 1 11 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.430 -4.530 19452 5636 1 11 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.395 5.305 19452 5637 1 11 . 1 1 66 66 VAL H H 66 7.890 7.890 8.315 -0.425 19452 5638 1 11 . 1 1 67 67 LYS N N 67 127.600 127.600 119.059 8.541 19452 5639 1 11 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.854 0.706 19452 5640 1 11 . 1 1 67 67 LYS C C 67 173.600 173.600 178.421 -4.821 19452 5641 1 11 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.624 -5.524 19452 5642 1 11 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.643 4.557 19452 5643 1 11 . 1 1 67 67 LYS H H 67 8.700 8.700 8.123 0.577 19452 5644 1 11 . 1 1 68 68 ILE N N 68 123.200 123.200 116.527 6.673 19452 5645 1 11 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.837 0.743 19452 5646 1 11 . 1 1 68 68 ILE C C 68 173.900 173.900 179.465 -5.565 19452 5647 1 11 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.649 -3.149 19452 5648 1 11 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.962 0.538 19452 5649 1 11 . 1 1 68 68 ILE H H 68 8.770 8.770 7.671 1.099 19452 5650 1 11 . 1 1 69 69 TYR N N 69 124.400 124.400 119.913 4.487 19452 5651 1 11 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.094 1.566 19452 5652 1 11 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.704 -5.104 19452 5653 1 11 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.740 4.660 19452 5654 1 11 . 1 1 69 69 TYR H H 69 9.060 9.060 7.567 1.493 19452 5655 1 11 . 1 1 73 73 ILE C C 73 177.400 177.400 173.836 3.564 19452 5656 1 11 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.191 1.409 19452 5657 1 11 . 1 1 74 74 GLU N N 74 121.800 121.800 119.762 2.038 19452 5658 1 11 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.855 -0.575 19452 5659 1 11 . 1 1 74 74 GLU C C 74 177.800 177.800 174.547 3.253 19452 5660 1 11 . 1 1 74 74 GLU CA C 74 58.900 58.900 55.243 3.657 19452 5661 1 11 . 1 1 74 74 GLU CB C 74 29.700 29.700 33.664 -3.964 19452 5662 1 11 . 1 1 74 74 GLU H H 74 8.560 8.560 7.913 0.647 19452 5663 1 11 . 1 1 75 75 ASP N N 75 114.200 114.200 124.282 -10.082 19452 5664 1 11 . 1 1 75 75 ASP C C 75 175.800 175.800 174.082 1.718 19452 5665 1 11 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.984 2.016 19452 5666 1 11 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.696 -2.896 19452 5667 1 11 . 1 1 75 75 ASP H H 75 6.840 6.840 8.924 -2.084 19452 5668 1 11 . 1 1 76 76 ASN N N 76 118.400 118.400 117.474 0.926 19452 5669 1 11 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.265 -0.245 19452 5670 1 11 . 1 1 76 76 ASN C C 76 174.000 174.000 173.264 0.736 19452 5671 1 11 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.488 1.212 19452 5672 1 11 . 1 1 76 76 ASN CB C 76 41.600 41.600 41.440 0.161 19452 5673 1 11 . 1 1 76 76 ASN H H 76 7.600 7.600 8.160 -0.560 19452 5674 1 11 . 1 1 77 77 GLN N N 77 122.000 122.000 124.104 -2.104 19452 5675 1 11 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.948 -0.208 19452 5676 1 11 . 1 1 77 77 GLN C C 77 177.800 177.800 174.273 3.527 19452 5677 1 11 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.788 2.612 19452 5678 1 11 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.407 -2.807 19452 5679 1 11 . 1 1 77 77 GLN H H 77 9.040 9.040 8.984 0.056 19452 5680 1 11 . 1 1 78 78 ASP N N 78 125.900 125.900 117.325 8.575 19452 5681 1 11 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.375 -0.965 19452 5682 1 11 . 1 1 78 78 ASP C C 78 178.900 178.900 175.020 3.880 19452 5683 1 11 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.653 7.047 19452 5684 1 11 . 1 1 78 78 ASP CB C 78 40.000 40.000 44.952 -4.952 19452 5685 1 11 . 1 1 78 78 ASP H H 78 10.210 10.210 8.916 1.294 19452 5686 1 11 . 1 1 79 79 VAL N N 79 123.800 123.800 117.157 6.643 19452 5687 1 11 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.555 -1.065 19452 5688 1 11 . 1 1 79 79 VAL C C 79 178.400 178.400 176.602 1.798 19452 5689 1 11 . 1 1 79 79 VAL CA C 79 66.500 66.500 60.595 5.905 19452 5690 1 11 . 1 1 79 79 VAL CB C 79 30.500 30.500 34.337 -3.837 19452 5691 1 11 . 1 1 79 79 VAL H H 79 8.130 8.130 8.507 -0.377 19452 5692 1 11 . 1 1 80 80 ALA N N 80 121.800 121.800 127.823 -6.023 19452 5693 1 11 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.038 -0.528 19452 5694 1 11 . 1 1 80 80 ALA C C 80 179.600 179.600 177.653 1.947 19452 5695 1 11 . 1 1 80 80 ALA CA C 80 54.900 54.900 54.007 0.893 19452 5696 1 11 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.354 -2.054 19452 5697 1 11 . 1 1 80 80 ALA H H 80 9.250 9.250 8.118 1.132 19452 5698 1 11 . 1 1 81 81 THR N N 81 113.200 113.200 114.373 -1.173 19452 5699 1 11 . 1 1 81 81 THR HA H 81 3.960 3.960 4.435 -0.475 19452 5700 1 11 . 1 1 81 81 THR C C 81 177.700 177.700 174.414 3.286 19452 5701 1 11 . 1 1 81 81 THR CA C 81 66.400 66.400 60.662 5.738 19452 5702 1 11 . 1 1 81 81 THR CB C 81 68.500 68.500 69.033 -0.533 19452 5703 1 11 . 1 1 81 81 THR H H 81 7.990 7.990 8.057 -0.067 19452 5704 1 11 . 1 1 82 82 GLN N N 82 123.800 123.800 121.623 2.177 19452 5705 1 11 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.277 -0.427 19452 5706 1 11 . 1 1 82 82 GLN C C 82 177.900 177.900 176.208 1.692 19452 5707 1 11 . 1 1 82 82 GLN CA C 82 58.900 58.900 57.557 1.343 19452 5708 1 11 . 1 1 82 82 GLN CB C 82 28.000 28.000 29.378 -1.378 19452 5709 1 11 . 1 1 82 82 GLN H H 82 8.170 8.170 8.481 -0.311 19452 5710 1 11 . 1 1 83 83 TYR N N 83 112.900 112.900 119.066 -6.166 19452 5711 1 11 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.599 -0.169 19452 5712 1 11 . 1 1 83 83 TYR C C 83 175.300 175.300 175.745 -0.445 19452 5713 1 11 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.957 0.043 19452 5714 1 11 . 1 1 83 83 TYR CB C 83 38.500 38.500 39.034 -0.534 19452 5715 1 11 . 1 1 83 83 TYR H H 83 7.780 7.780 8.462 -0.682 19452 5716 1 11 . 1 1 84 84 GLY N N 84 110.200 110.200 108.655 1.545 19452 5717 1 11 . 1 1 84 84 GLY C C 84 175.300 175.300 173.639 1.661 19452 5718 1 11 . 1 1 84 84 GLY CA C 84 47.100 47.100 45.523 1.577 19452 5719 1 11 . 1 1 84 84 GLY H H 84 7.670 7.670 8.272 -0.602 19452 5720 1 11 . 1 1 85 85 VAL N N 85 121.300 121.300 120.827 0.473 19452 5721 1 11 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.300 -0.430 19452 5722 1 11 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.209 1.792 19452 5723 1 11 . 1 1 85 85 VAL CB C 85 30.500 30.500 34.771 -4.271 19452 5724 1 11 . 1 1 85 85 VAL H H 85 8.500 8.500 7.962 0.538 19452 5725 1 11 . 1 1 90 90 THR HA H 90 5.170 5.170 3.999 1.171 19452 5726 1 11 . 1 1 90 90 THR C C 90 172.300 172.300 176.454 -4.154 19452 5727 1 11 . 1 1 90 90 THR CA C 90 63.500 63.500 64.450 -0.950 19452 5728 1 11 . 1 1 90 90 THR CB C 90 73.300 73.300 68.350 4.950 19452 5729 1 11 . 1 1 91 91 ILE N N 91 126.600 126.600 115.881 10.719 19452 5730 1 11 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.044 1.546 19452 5731 1 11 . 1 1 91 91 ILE C C 91 175.900 175.900 176.630 -0.730 19452 5732 1 11 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.245 -2.845 19452 5733 1 11 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.060 1.940 19452 5734 1 11 . 1 1 91 91 ILE H H 91 9.340 9.340 7.433 1.907 19452 5735 1 11 . 1 1 92 92 LEU N N 92 125.700 125.700 119.048 6.652 19452 5736 1 11 . 1 1 92 92 LEU HA H 92 5.120 5.120 3.729 1.391 19452 5737 1 11 . 1 1 92 92 LEU C C 92 176.100 176.100 175.928 0.172 19452 5738 1 11 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.636 -1.536 19452 5739 1 11 . 1 1 92 92 LEU H H 92 9.120 9.120 7.516 1.604 19452 5740 1 11 . 1 1 93 93 MET N N 93 117.700 117.700 120.922 -3.222 19452 5741 1 11 . 1 1 93 93 MET HA H 93 5.860 5.860 4.394 1.466 19452 5742 1 11 . 1 1 93 93 MET C C 93 174.400 174.400 175.890 -1.490 19452 5743 1 11 . 1 1 93 93 MET CA C 93 54.400 54.400 54.419 -0.019 19452 5744 1 11 . 1 1 93 93 MET CB C 93 34.100 34.100 33.385 0.715 19452 5745 1 11 . 1 1 93 93 MET H H 93 8.080 8.080 7.770 0.310 19452 5746 1 11 . 1 1 94 94 PHE N N 94 123.300 123.300 126.840 -3.540 19452 5747 1 11 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.166 1.404 19452 5748 1 11 . 1 1 94 94 PHE C C 94 174.800 174.800 175.929 -1.129 19452 5749 1 11 . 1 1 94 94 PHE CA C 94 55.900 55.900 57.038 -1.138 19452 5750 1 11 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.900 4.900 19452 5751 1 11 . 1 1 94 94 PHE H H 94 9.990 9.990 8.126 1.864 19452 5752 1 11 . 1 1 95 95 LYS N N 95 117.100 117.100 119.137 -2.037 19452 5753 1 11 . 1 1 95 95 LYS C C 95 176.500 176.500 177.026 -0.526 19452 5754 1 11 . 1 1 95 95 LYS CA C 95 57.500 57.500 57.867 -0.367 19452 5755 1 11 . 1 1 95 95 LYS CB C 95 37.200 37.200 32.791 4.410 19452 5756 1 11 . 1 1 95 95 LYS H H 95 8.630 8.630 7.890 0.740 19452 5757 1 11 . 1 1 96 96 ASN N N 96 130.400 130.400 111.277 19.123 19452 5758 1 11 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.593 0.227 19452 5759 1 11 . 1 1 96 96 ASN C C 96 175.900 175.900 173.471 2.429 19452 5760 1 11 . 1 1 96 96 ASN CA C 96 54.500 54.500 51.307 3.193 19452 5761 1 11 . 1 1 96 96 ASN CB C 96 36.900 36.900 38.045 -1.145 19452 5762 1 11 . 1 1 96 96 ASN H H 96 10.190 10.190 7.712 2.478 19452 5763 1 11 . 1 1 97 97 GLY C C 97 173.700 173.700 173.895 -0.195 19452 5764 1 11 . 1 1 97 97 GLY CA C 97 46.000 46.000 44.919 1.081 19452 5765 1 11 . 1 1 98 98 LYS N N 98 120.300 120.300 122.253 -1.953 19452 5766 1 11 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.527 0.213 19452 5767 1 11 . 1 1 98 98 LYS C C 98 175.500 175.500 175.090 0.410 19452 5768 1 11 . 1 1 98 98 LYS CA C 98 54.700 54.700 56.113 -1.413 19452 5769 1 11 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.126 -1.926 19452 5770 1 11 . 1 1 98 98 LYS H H 98 7.840 7.840 8.019 -0.179 19452 5771 1 11 . 1 1 99 99 LYS N N 99 124.900 124.900 124.105 0.795 19452 5772 1 11 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.180 -1.570 19452 5773 1 11 . 1 1 99 99 LYS C C 99 176.300 176.300 175.072 1.228 19452 5774 1 11 . 1 1 99 99 LYS CA C 99 56.600 56.600 54.730 1.869 19452 5775 1 11 . 1 1 99 99 LYS CB C 99 31.500 31.500 35.657 -4.157 19452 5776 1 11 . 1 1 99 99 LYS H H 99 8.880 8.880 9.073 -0.193 19452 5777 1 11 . 1 1 100 100 LEU N N 100 128.800 128.800 124.039 4.761 19452 5778 1 11 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.636 -0.196 19452 5779 1 11 . 1 1 100 100 LEU C C 100 177.400 177.400 175.398 2.002 19452 5780 1 11 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.566 1.734 19452 5781 1 11 . 1 1 100 100 LEU CB C 100 44.100 44.100 45.885 -1.784 19452 5782 1 11 . 1 1 100 100 LEU H H 100 9.320 9.320 8.533 0.787 19452 5783 1 11 . 1 1 101 101 SER N N 101 109.000 109.000 116.370 -7.370 19452 5784 1 11 . 1 1 101 101 SER HA H 101 4.550 4.550 5.068 -0.518 19452 5785 1 11 . 1 1 101 101 SER C C 101 172.400 172.400 173.132 -0.732 19452 5786 1 11 . 1 1 101 101 SER CA C 101 57.200 57.200 57.413 -0.213 19452 5787 1 11 . 1 1 101 101 SER CB C 101 64.400 64.400 63.869 0.531 19452 5788 1 11 . 1 1 101 101 SER H H 101 7.260 7.260 8.727 -1.467 19452 5789 1 11 . 1 1 102 102 GLN N N 102 119.900 119.900 123.634 -3.734 19452 5790 1 11 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.502 -0.282 19452 5791 1 11 . 1 1 102 102 GLN C C 102 173.800 173.800 175.033 -1.233 19452 5792 1 11 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.670 0.730 19452 5793 1 11 . 1 1 102 102 GLN CB C 102 31.800 31.800 31.855 -0.055 19452 5794 1 11 . 1 1 102 102 GLN H H 102 8.230 8.230 9.041 -0.811 19452 5795 1 11 . 1 1 103 103 VAL N N 103 123.800 123.800 121.923 1.877 19452 5796 1 11 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.481 -0.151 19452 5797 1 11 . 1 1 103 103 VAL C C 103 174.600 174.600 175.598 -0.998 19452 5798 1 11 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.036 -0.336 19452 5799 1 11 . 1 1 103 103 VAL CB C 103 34.600 34.600 35.077 -0.477 19452 5800 1 11 . 1 1 103 103 VAL H H 103 9.310 9.310 8.895 0.415 19452 5801 1 11 . 1 1 104 104 ILE N N 104 129.400 129.400 127.943 1.457 19452 5802 1 11 . 1 1 104 104 ILE C C 104 176.400 176.400 175.738 0.662 19452 5803 1 11 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.726 -1.226 19452 5804 1 11 . 1 1 104 104 ILE CB C 104 38.700 38.700 37.359 1.341 19452 5805 1 11 . 1 1 104 104 ILE H H 104 8.970 8.970 9.084 -0.114 19452 5806 1 11 . 1 1 105 105 GLY N N 105 115.400 115.400 102.691 12.709 19452 5807 1 11 . 1 1 105 105 GLY C C 105 172.700 172.700 173.674 -0.974 19452 5808 1 11 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.053 -1.353 19452 5809 1 11 . 1 1 105 105 GLY H H 105 8.500 8.500 8.627 -0.127 19452 5810 1 11 . 1 1 106 106 ALA N N 106 120.200 120.200 121.375 -1.175 19452 5811 1 11 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.677 -0.297 19452 5812 1 11 . 1 1 106 106 ALA C C 106 176.300 176.300 176.170 0.130 19452 5813 1 11 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.482 0.018 19452 5814 1 11 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.829 -4.429 19452 5815 1 11 . 1 1 106 106 ALA H H 106 8.360 8.360 7.865 0.495 19452 5816 1 11 . 1 1 107 107 ASP N N 107 121.100 121.100 122.411 -1.311 19452 5817 1 11 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.179 -0.409 19452 5818 1 11 . 1 1 107 107 ASP C C 107 176.600 176.600 175.512 1.088 19452 5819 1 11 . 1 1 107 107 ASP CA C 107 52.600 52.600 54.104 -1.504 19452 5820 1 11 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.561 -0.961 19452 5821 1 11 . 1 1 107 107 ASP H H 107 7.610 7.610 8.670 -1.060 19452 5822 1 11 . 1 1 108 108 ILE N N 108 125.700 125.700 122.797 2.903 19452 5823 1 11 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.375 -0.365 19452 5824 1 11 . 1 1 108 108 ILE C C 108 176.400 176.400 175.569 0.831 19452 5825 1 11 . 1 1 108 108 ILE CA C 108 60.700 60.700 61.362 -0.662 19452 5826 1 11 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.760 -0.460 19452 5827 1 11 . 1 1 108 108 ILE H H 108 8.550 8.550 8.488 0.062 19452 5828 1 11 . 1 1 109 109 SER N N 109 117.700 117.700 110.934 6.766 19452 5829 1 11 . 1 1 109 109 SER HA H 109 4.180 4.180 4.631 -0.451 19452 5830 1 11 . 1 1 109 109 SER C C 109 177.300 177.300 171.924 5.376 19452 5831 1 11 . 1 1 109 109 SER CA C 109 61.700 61.700 57.999 3.701 19452 5832 1 11 . 1 1 109 109 SER CB C 109 62.100 62.100 65.858 -3.757 19452 5833 1 11 . 1 1 109 109 SER H H 109 8.330 8.330 7.542 0.788 19452 5834 1 11 . 1 1 110 110 LYS N N 110 123.200 123.200 120.347 2.853 19452 5835 1 11 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.765 -0.545 19452 5836 1 11 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.288 2.812 19452 5837 1 11 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.605 -2.305 19452 5838 1 11 . 1 1 110 110 LYS H H 110 7.480 7.480 8.495 -1.015 19452 5839 1 11 . 1 1 111 111 ILE N N 111 119.300 119.300 124.369 -5.069 19452 5840 1 11 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.322 -0.292 19452 5841 1 11 . 1 1 111 111 ILE C C 111 177.200 177.200 175.070 2.130 19452 5842 1 11 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.371 0.729 19452 5843 1 11 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.685 -1.885 19452 5844 1 11 . 1 1 111 111 ILE H H 111 7.640 7.640 8.445 -0.805 19452 5845 1 11 . 1 1 112 112 ILE N N 112 118.700 118.700 125.743 -7.043 19452 5846 1 11 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.294 -0.864 19452 5847 1 11 . 1 1 112 112 ILE C C 112 177.700 177.700 175.839 1.861 19452 5848 1 11 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.755 5.345 19452 5849 1 11 . 1 1 112 112 ILE CB C 112 38.500 38.500 39.066 -0.567 19452 5850 1 11 . 1 1 112 112 ILE H H 112 8.410 8.410 8.499 -0.089 19452 5851 1 11 . 1 1 113 113 SER N N 113 113.800 113.800 122.015 -8.215 19452 5852 1 11 . 1 1 113 113 SER HA H 113 4.200 4.200 4.331 -0.131 19452 5853 1 11 . 1 1 113 113 SER C C 113 177.200 177.200 172.731 4.469 19452 5854 1 11 . 1 1 113 113 SER CA C 113 62.000 62.000 57.736 4.264 19452 5855 1 11 . 1 1 113 113 SER H H 113 7.920 7.920 8.462 -0.542 19452 5856 1 11 . 1 1 114 114 GLU N N 114 119.400 119.400 121.360 -1.960 19452 5857 1 11 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.755 -0.605 19452 5858 1 11 . 1 1 114 114 GLU C C 114 179.900 179.900 174.787 5.113 19452 5859 1 11 . 1 1 114 114 GLU CA C 114 58.500 58.500 56.054 2.446 19452 5860 1 11 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.629 -3.329 19452 5861 1 11 . 1 1 114 114 GLU H H 114 8.010 8.010 8.612 -0.602 19452 5862 1 11 . 1 1 115 115 ILE N N 115 121.700 121.700 122.178 -0.478 19452 5863 1 11 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.380 -1.000 19452 5864 1 11 . 1 1 115 115 ILE C C 115 178.100 178.100 175.605 2.495 19452 5865 1 11 . 1 1 115 115 ILE CA C 115 66.000 66.000 60.777 5.223 19452 5866 1 11 . 1 1 115 115 ILE CB C 115 37.700 37.700 39.378 -1.678 19452 5867 1 11 . 1 1 115 115 ILE H H 115 8.370 8.370 8.144 0.226 19452 5868 1 11 . 1 1 116 116 ASN N N 116 116.100 116.100 124.733 -8.633 19452 5869 1 11 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.353 -0.023 19452 5870 1 11 . 1 1 116 116 ASN C C 116 177.900 177.900 176.024 1.876 19452 5871 1 11 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.394 0.506 19452 5872 1 11 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.969 -1.369 19452 5873 1 11 . 1 1 116 116 ASN H H 116 8.230 8.230 8.837 -0.607 19452 5874 1 11 . 1 1 117 117 ASN N N 117 115.400 115.400 115.724 -0.324 19452 5875 1 11 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.430 0.200 19452 5876 1 11 . 1 1 117 117 ASN C C 117 176.200 176.200 177.352 -1.152 19452 5877 1 11 . 1 1 117 117 ASN CA C 117 54.300 54.300 55.608 -1.308 19452 5878 1 11 . 1 1 117 117 ASN CB C 117 39.100 39.100 37.904 1.196 19452 5879 1 11 . 1 1 117 117 ASN H H 117 7.930 7.930 8.447 -0.517 19452 5880 1 11 . 1 1 118 118 ASN N N 118 115.400 115.400 121.140 -5.740 19452 5881 1 11 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.644 0.366 19452 5882 1 11 . 1 1 118 118 ASN C C 118 174.400 174.400 177.479 -3.079 19452 5883 1 11 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.174 -0.974 19452 5884 1 11 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.634 3.566 19452 5885 1 11 . 1 1 118 118 ASN H H 118 7.710 7.710 7.637 0.073 19452 5886 1 11 . 1 1 119 119 ILE N N 119 117.300 117.300 118.372 -1.072 19452 5887 1 11 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.737 0.583 19452 5888 1 11 . 1 1 119 119 ILE C C 119 174.900 174.900 177.962 -3.062 19452 5889 1 11 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.617 -2.417 19452 5890 1 11 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.488 1.712 19452 5891 1 11 . 1 1 119 119 ILE H H 119 7.520 7.520 8.062 -0.542 19452 5892 1 11 . 1 1 120 120 ASN N N 120 124.900 124.900 114.534 10.366 19452 5893 1 11 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.567 -0.057 19452 5894 1 11 . 1 1 120 120 ASN CA C 120 55.000 55.000 55.866 -0.866 19452 5895 1 11 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.758 2.442 19452 5896 1 11 . 1 1 120 120 ASN H H 120 7.960 7.960 8.138 -0.178 19452 5897 1 12 . 1 1 2 2 GLY N N 2 109.900 109.900 111.662 -1.762 19452 5898 1 12 . 1 1 2 2 GLY C C 2 174.400 174.400 173.272 1.128 19452 5899 1 12 . 1 1 2 2 GLY CA C 2 45.600 45.600 45.438 0.162 19452 5900 1 12 . 1 1 2 2 GLY H H 2 8.480 8.480 8.547 -0.067 19452 5901 1 12 . 1 1 3 3 THR N N 3 113.700 113.700 116.761 -3.061 19452 5902 1 12 . 1 1 3 3 THR C C 3 174.900 174.900 172.688 2.212 19452 5903 1 12 . 1 1 3 3 THR CA C 3 62.400 62.400 61.912 0.488 19452 5904 1 12 . 1 1 3 3 THR CB C 3 70.000 70.000 70.716 -0.716 19452 5905 1 12 . 1 1 3 3 THR H H 3 8.090 8.090 8.270 -0.180 19452 5906 1 12 . 1 1 4 4 LEU N N 4 124.100 124.100 125.858 -1.758 19452 5907 1 12 . 1 1 4 4 LEU C C 4 177.600 177.600 176.690 0.910 19452 5908 1 12 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.654 1.046 19452 5909 1 12 . 1 1 4 4 LEU CB C 4 42.300 42.300 42.858 -0.558 19452 5910 1 12 . 1 1 4 4 LEU H H 4 8.400 8.400 8.383 0.017 19452 5911 1 12 . 1 1 5 5 GLU N N 5 121.600 121.600 123.700 -2.100 19452 5912 1 12 . 1 1 5 5 GLU C C 5 176.500 176.500 175.620 0.880 19452 5913 1 12 . 1 1 5 5 GLU CA C 5 57.000 57.000 55.999 1.001 19452 5914 1 12 . 1 1 5 5 GLU CB C 5 29.900 29.900 30.147 -0.247 19452 5915 1 12 . 1 1 5 5 GLU H H 5 8.430 8.430 8.953 -0.523 19452 5916 1 12 . 1 1 6 6 ALA N N 6 124.500 124.500 124.731 -0.231 19452 5917 1 12 . 1 1 6 6 ALA C C 6 177.900 177.900 176.139 1.761 19452 5918 1 12 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.564 1.336 19452 5919 1 12 . 1 1 6 6 ALA CB C 6 19.200 19.200 20.848 -1.648 19452 5920 1 12 . 1 1 6 6 ALA H H 6 8.330 8.330 8.610 -0.280 19452 5921 1 12 . 1 1 7 7 GLN N N 7 119.200 119.200 119.645 -0.445 19452 5922 1 12 . 1 1 7 7 GLN C C 7 176.400 176.400 174.532 1.868 19452 5923 1 12 . 1 1 7 7 GLN CA C 7 56.000 56.000 55.681 0.319 19452 5924 1 12 . 1 1 7 7 GLN CB C 7 29.200 29.200 30.680 -1.480 19452 5925 1 12 . 1 1 7 7 GLN H H 7 8.400 8.400 8.612 -0.212 19452 5926 1 12 . 1 1 8 8 THR N N 8 115.100 115.100 118.248 -3.148 19452 5927 1 12 . 1 1 8 8 THR C C 8 174.500 174.500 174.969 -0.469 19452 5928 1 12 . 1 1 8 8 THR CA C 8 62.300 62.300 62.658 -0.358 19452 5929 1 12 . 1 1 8 8 THR CB C 8 70.000 70.000 69.562 0.438 19452 5930 1 12 . 1 1 8 8 THR H H 8 8.210 8.210 8.250 -0.040 19452 5931 1 12 . 1 1 9 9 GLN N N 9 122.300 122.300 120.263 2.037 19452 5932 1 12 . 1 1 9 9 GLN C C 9 176.100 176.100 175.126 0.974 19452 5933 1 12 . 1 1 9 9 GLN CA C 9 55.900 55.900 56.628 -0.728 19452 5934 1 12 . 1 1 9 9 GLN CB C 9 29.500 29.500 28.975 0.525 19452 5935 1 12 . 1 1 9 9 GLN H H 9 8.470 8.470 7.321 1.149 19452 5936 1 12 . 1 1 10 10 GLY N N 10 110.300 110.300 110.645 -0.345 19452 5937 1 12 . 1 1 10 10 GLY CA C 10 44.400 44.400 44.885 -0.485 19452 5938 1 12 . 1 1 10 10 GLY H H 10 8.360 8.360 8.206 0.154 19452 5939 1 12 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.602 -0.162 19452 5940 1 12 . 1 1 11 11 PRO C C 11 177.800 177.800 176.542 1.258 19452 5941 1 12 . 1 1 11 11 PRO CA C 11 63.300 63.300 62.923 0.377 19452 5942 1 12 . 1 1 11 11 PRO CB C 11 32.000 32.000 33.360 -1.360 19452 5943 1 12 . 1 1 12 12 GLY N N 12 109.600 109.600 114.700 -5.100 19452 5944 1 12 . 1 1 12 12 GLY CA C 12 44.900 44.900 45.161 -0.261 19452 5945 1 12 . 1 1 12 12 GLY H H 12 8.600 8.600 8.671 -0.071 19452 5946 1 12 . 1 1 13 13 SER N N 13 114.700 114.700 121.923 -7.223 19452 5947 1 12 . 1 1 13 13 SER HA H 13 4.510 4.510 4.515 -0.005 19452 5948 1 12 . 1 1 13 13 SER C C 13 175.300 175.300 173.515 1.785 19452 5949 1 12 . 1 1 13 13 SER CA C 13 57.800 57.800 58.498 -0.698 19452 5950 1 12 . 1 1 13 13 SER CB C 13 62.300 62.300 65.384 -3.084 19452 5951 1 12 . 1 1 13 13 SER H H 13 8.130 8.130 8.480 -0.350 19452 5952 1 12 . 1 1 14 14 MET N N 14 124.300 124.300 121.951 2.349 19452 5953 1 12 . 1 1 14 14 MET HA H 14 4.470 4.470 4.208 0.262 19452 5954 1 12 . 1 1 14 14 MET CA C 14 55.700 55.700 55.933 -0.233 19452 5955 1 12 . 1 1 14 14 MET CB C 14 32.700 32.700 31.814 0.886 19452 5956 1 12 . 1 1 14 14 MET H H 14 9.430 9.430 8.633 0.797 19452 5957 1 12 . 1 1 15 15 ILE N N 15 122.600 122.600 120.004 2.596 19452 5958 1 12 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.211 -0.201 19452 5959 1 12 . 1 1 15 15 ILE C C 15 175.300 175.300 176.373 -1.073 19452 5960 1 12 . 1 1 15 15 ILE CA C 15 60.700 60.700 60.862 -0.162 19452 5961 1 12 . 1 1 15 15 ILE CB C 15 37.500 37.500 38.801 -1.301 19452 5962 1 12 . 1 1 15 15 ILE H H 15 8.520 8.520 7.981 0.539 19452 5963 1 12 . 1 1 16 16 GLU N N 16 129.300 129.300 123.763 5.537 19452 5964 1 12 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.356 0.014 19452 5965 1 12 . 1 1 16 16 GLU C C 16 175.500 175.500 176.465 -0.965 19452 5966 1 12 . 1 1 16 16 GLU CA C 16 56.100 56.100 56.553 -0.453 19452 5967 1 12 . 1 1 16 16 GLU CB C 16 31.400 31.400 30.375 1.025 19452 5968 1 12 . 1 1 16 16 GLU H H 16 8.220 8.220 8.406 -0.186 19452 5969 1 12 . 1 1 17 17 GLN N N 17 124.500 124.500 119.254 5.246 19452 5970 1 12 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.631 0.489 19452 5971 1 12 . 1 1 17 17 GLN C C 17 176.000 176.000 175.038 0.962 19452 5972 1 12 . 1 1 17 17 GLN CA C 17 55.200 55.200 55.234 -0.034 19452 5973 1 12 . 1 1 17 17 GLN CB C 17 30.400 30.400 30.401 -0.001 19452 5974 1 12 . 1 1 17 17 GLN H H 17 8.810 8.810 8.678 0.132 19452 5975 1 12 . 1 1 18 18 ILE N N 18 118.700 118.700 121.133 -2.433 19452 5976 1 12 . 1 1 18 18 ILE C C 18 174.400 174.400 174.408 -0.008 19452 5977 1 12 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.185 -1.585 19452 5978 1 12 . 1 1 18 18 ILE H H 18 8.840 8.840 8.396 0.444 19452 5979 1 12 . 1 1 19 19 GLY C C 19 174.800 174.800 174.301 0.499 19452 5980 1 12 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.516 -1.416 19452 5981 1 12 . 1 1 20 20 ASP N N 20 119.100 119.100 117.986 1.114 19452 5982 1 12 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.578 0.012 19452 5983 1 12 . 1 1 20 20 ASP C C 20 179.900 179.900 174.104 5.796 19452 5984 1 12 . 1 1 20 20 ASP CA C 20 58.000 58.000 53.554 4.446 19452 5985 1 12 . 1 1 20 20 ASP H H 20 8.090 8.090 8.279 -0.189 19452 5986 1 12 . 1 1 21 21 SER N N 21 112.000 112.000 117.412 -5.412 19452 5987 1 12 . 1 1 21 21 SER HA H 21 4.320 4.320 4.416 -0.096 19452 5988 1 12 . 1 1 21 21 SER CA C 21 60.700 60.700 58.634 2.066 19452 5989 1 12 . 1 1 21 21 SER CB C 21 62.500 62.500 63.512 -1.012 19452 5990 1 12 . 1 1 21 21 SER H H 21 8.750 8.750 8.503 0.247 19452 5991 1 12 . 1 1 22 22 GLU N N 22 119.000 119.000 127.420 -8.420 19452 5992 1 12 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.392 0.188 19452 5993 1 12 . 1 1 22 22 GLU C C 22 176.000 176.000 176.025 -0.025 19452 5994 1 12 . 1 1 22 22 GLU CA C 22 56.200 56.200 56.164 0.036 19452 5995 1 12 . 1 1 22 22 GLU CB C 22 31.600 31.600 30.637 0.963 19452 5996 1 12 . 1 1 22 22 GLU H H 22 7.660 7.660 8.733 -1.073 19452 5997 1 12 . 1 1 23 23 PHE N N 23 120.900 120.900 121.457 -0.557 19452 5998 1 12 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.500 -0.930 19452 5999 1 12 . 1 1 23 23 PHE C C 23 176.500 176.500 174.420 2.080 19452 6000 1 12 . 1 1 23 23 PHE CA C 23 63.100 63.100 58.212 4.888 19452 6001 1 12 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.174 1.526 19452 6002 1 12 . 1 1 23 23 PHE H H 23 7.490 7.490 8.091 -0.601 19452 6003 1 12 . 1 1 24 24 ASP N N 24 118.500 118.500 125.382 -6.882 19452 6004 1 12 . 1 1 24 24 ASP HA H 24 4.630 4.630 5.086 -0.456 19452 6005 1 12 . 1 1 24 24 ASP C C 24 178.400 178.400 174.919 3.481 19452 6006 1 12 . 1 1 24 24 ASP CA C 24 56.700 56.700 51.937 4.763 19452 6007 1 12 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.764 -3.564 19452 6008 1 12 . 1 1 24 24 ASP H H 24 8.900 8.900 8.763 0.137 19452 6009 1 12 . 1 1 25 25 ASN N N 25 117.200 117.200 119.282 -2.082 19452 6010 1 12 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.836 -0.636 19452 6011 1 12 . 1 1 25 25 ASN C C 25 176.400 176.400 175.191 1.209 19452 6012 1 12 . 1 1 25 25 ASN CA C 25 56.000 56.000 53.215 2.785 19452 6013 1 12 . 1 1 25 25 ASN CB C 25 39.000 39.000 38.366 0.634 19452 6014 1 12 . 1 1 26 26 LYS N N 26 112.800 112.800 119.484 -6.684 19452 6015 1 12 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.658 -0.658 19452 6016 1 12 . 1 1 26 26 LYS C C 26 175.500 175.500 175.187 0.313 19452 6017 1 12 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.221 2.079 19452 6018 1 12 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.284 -2.284 19452 6019 1 12 . 1 1 26 26 LYS H H 26 7.730 7.730 8.594 -0.864 19452 6020 1 12 . 1 1 27 27 VAL N N 27 114.500 114.500 116.181 -1.681 19452 6021 1 12 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.230 -0.190 19452 6022 1 12 . 1 1 27 27 VAL C C 27 177.900 177.900 174.945 2.955 19452 6023 1 12 . 1 1 27 27 VAL CA C 27 63.700 63.700 61.060 2.639 19452 6024 1 12 . 1 1 27 27 VAL H H 27 7.680 7.680 8.092 -0.412 19452 6025 1 12 . 1 1 28 28 THR N N 28 110.000 110.000 113.422 -3.422 19452 6026 1 12 . 1 1 28 28 THR HA H 28 3.710 3.710 4.135 -0.425 19452 6027 1 12 . 1 1 28 28 THR C C 28 175.800 175.800 176.572 -0.772 19452 6028 1 12 . 1 1 28 28 THR CA C 28 65.200 65.200 64.931 0.269 19452 6029 1 12 . 1 1 28 28 THR CB C 28 68.100 68.100 69.136 -1.036 19452 6030 1 12 . 1 1 28 28 THR H H 28 7.010 7.010 8.436 -1.426 19452 6031 1 12 . 1 1 29 29 SER N N 29 113.600 113.600 112.925 0.675 19452 6032 1 12 . 1 1 29 29 SER HA H 29 4.480 4.480 4.359 0.121 19452 6033 1 12 . 1 1 29 29 SER C C 29 174.200 174.200 175.322 -1.122 19452 6034 1 12 . 1 1 29 29 SER CA C 29 58.500 58.500 60.437 -1.937 19452 6035 1 12 . 1 1 29 29 SER CB C 29 63.300 63.300 63.320 -0.020 19452 6036 1 12 . 1 1 29 29 SER H H 29 8.350 8.350 8.092 0.258 19452 6037 1 12 . 1 1 30 30 CYS N N 30 120.000 120.000 119.138 0.862 19452 6038 1 12 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.475 -0.355 19452 6039 1 12 . 1 1 30 30 CYS C C 30 174.200 174.200 175.890 -1.690 19452 6040 1 12 . 1 1 30 30 CYS CA C 30 69.700 69.700 59.241 10.459 19452 6041 1 12 . 1 1 30 30 CYS CB C 30 27.800 27.800 27.075 0.726 19452 6042 1 12 . 1 1 30 30 CYS H H 30 6.810 6.810 8.212 -1.402 19452 6043 1 12 . 1 1 31 31 ASN N N 31 124.300 124.300 121.161 3.139 19452 6044 1 12 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.212 0.898 19452 6045 1 12 . 1 1 31 31 ASN C C 31 174.900 174.900 175.965 -1.065 19452 6046 1 12 . 1 1 31 31 ASN CA C 31 52.400 52.400 57.047 -4.647 19452 6047 1 12 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.214 0.286 19452 6048 1 12 . 1 1 31 31 ASN H H 31 8.760 8.760 8.062 0.698 19452 6049 1 12 . 1 1 32 32 ASP N N 32 119.000 119.000 117.245 1.755 19452 6050 1 12 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.863 0.697 19452 6051 1 12 . 1 1 32 32 ASP C C 32 176.600 176.600 178.756 -2.156 19452 6052 1 12 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.762 -3.262 19452 6053 1 12 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.987 2.013 19452 6054 1 12 . 1 1 32 32 ASP H H 32 7.720 7.720 8.676 -0.956 19452 6055 1 12 . 1 1 33 33 ASN N N 33 115.400 115.400 117.333 -1.933 19452 6056 1 12 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.428 -0.258 19452 6057 1 12 . 1 1 33 33 ASN C C 33 173.700 173.700 176.677 -2.977 19452 6058 1 12 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.607 -1.307 19452 6059 1 12 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.707 -0.907 19452 6060 1 12 . 1 1 33 33 ASN H H 33 9.750 9.750 8.188 1.562 19452 6061 1 12 . 1 1 34 34 ILE N N 34 120.700 120.700 115.298 5.402 19452 6062 1 12 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.267 -0.247 19452 6063 1 12 . 1 1 34 34 ILE C C 34 175.500 175.500 176.771 -1.271 19452 6064 1 12 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.195 -2.795 19452 6065 1 12 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.399 -1.899 19452 6066 1 12 . 1 1 34 34 ILE H H 34 7.850 7.850 7.739 0.111 19452 6067 1 12 . 1 1 35 35 LEU N N 35 128.400 128.400 121.439 6.961 19452 6068 1 12 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.138 0.532 19452 6069 1 12 . 1 1 35 35 LEU C C 35 173.700 173.700 178.470 -4.770 19452 6070 1 12 . 1 1 35 35 LEU CA C 35 54.900 54.900 57.812 -2.912 19452 6071 1 12 . 1 1 35 35 LEU CB C 35 42.400 42.400 42.289 0.111 19452 6072 1 12 . 1 1 35 35 LEU H H 35 8.100 8.100 8.005 0.095 19452 6073 1 12 . 1 1 36 36 ILE N N 36 128.800 128.800 121.115 7.685 19452 6074 1 12 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.773 1.277 19452 6075 1 12 . 1 1 36 36 ILE C C 36 175.800 175.800 177.721 -1.921 19452 6076 1 12 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.847 -5.046 19452 6077 1 12 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.617 2.283 19452 6078 1 12 . 1 1 36 36 ILE H H 36 9.320 9.320 7.693 1.627 19452 6079 1 12 . 1 1 37 37 LEU N N 37 129.600 129.600 121.315 8.285 19452 6080 1 12 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.235 1.035 19452 6081 1 12 . 1 1 37 37 LEU C C 37 175.500 175.500 176.788 -1.288 19452 6082 1 12 . 1 1 37 37 LEU CA C 37 54.000 54.000 56.020 -2.020 19452 6083 1 12 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.166 2.634 19452 6084 1 12 . 1 1 37 37 LEU H H 37 9.400 9.400 7.819 1.581 19452 6085 1 12 . 1 1 38 38 VAL N N 38 120.100 120.100 123.572 -3.472 19452 6086 1 12 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.912 0.678 19452 6087 1 12 . 1 1 38 38 VAL C C 38 174.000 174.000 175.203 -1.203 19452 6088 1 12 . 1 1 38 38 VAL CA C 38 61.100 61.100 63.487 -2.387 19452 6089 1 12 . 1 1 38 38 VAL CB C 38 33.500 33.500 31.926 1.574 19452 6090 1 12 . 1 1 38 38 VAL H H 38 9.440 9.440 7.566 1.874 19452 6091 1 12 . 1 1 39 39 ASP N N 39 125.600 125.600 126.548 -0.948 19452 6092 1 12 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.763 0.407 19452 6093 1 12 . 1 1 39 39 ASP CA C 39 51.900 51.900 53.726 -1.826 19452 6094 1 12 . 1 1 39 39 ASP CB C 39 38.800 38.800 40.577 -1.777 19452 6095 1 12 . 1 1 39 39 ASP H H 39 9.240 9.240 8.422 0.818 19452 6096 1 12 . 1 1 40 40 PHE N N 40 119.600 119.600 119.794 -0.194 19452 6097 1 12 . 1 1 40 40 PHE H H 40 8.860 8.860 7.921 0.939 19452 6098 1 12 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.357 0.053 19452 6099 1 12 . 1 1 53 53 PRO CA C 53 65.500 65.500 63.546 1.954 19452 6100 1 12 . 1 1 53 53 PRO CB C 53 30.800 30.800 33.060 -2.260 19452 6101 1 12 . 1 1 54 54 GLN N N 54 115.300 115.300 122.818 -7.518 19452 6102 1 12 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.407 -0.207 19452 6103 1 12 . 1 1 54 54 GLN C C 54 179.400 179.400 175.189 4.211 19452 6104 1 12 . 1 1 54 54 GLN CA C 54 58.000 58.000 56.266 1.734 19452 6105 1 12 . 1 1 54 54 GLN H H 54 7.080 7.080 8.888 -1.808 19452 6106 1 12 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.394 -0.404 19452 6107 1 12 . 1 1 55 55 LEU C C 55 178.700 178.700 176.355 2.345 19452 6108 1 12 . 1 1 55 55 LEU CA C 55 57.300 57.300 55.372 1.928 19452 6109 1 12 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.285 -0.986 19452 6110 1 12 . 1 1 56 56 GLU N N 56 118.900 118.900 116.135 2.765 19452 6111 1 12 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.566 -0.726 19452 6112 1 12 . 1 1 56 56 GLU C C 56 179.100 179.100 174.715 4.385 19452 6113 1 12 . 1 1 56 56 GLU CA C 56 59.500 59.500 54.706 4.794 19452 6114 1 12 . 1 1 56 56 GLU CB C 56 29.000 29.000 32.248 -3.248 19452 6115 1 12 . 1 1 56 56 GLU H H 56 8.150 8.150 7.720 0.430 19452 6116 1 12 . 1 1 57 57 LYS N N 57 117.000 117.000 121.798 -4.798 19452 6117 1 12 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.666 -0.596 19452 6118 1 12 . 1 1 57 57 LYS C C 57 179.800 179.800 176.600 3.200 19452 6119 1 12 . 1 1 57 57 LYS CA C 57 59.000 59.000 55.807 3.193 19452 6120 1 12 . 1 1 57 57 LYS CB C 57 31.900 31.900 33.267 -1.367 19452 6121 1 12 . 1 1 57 57 LYS H H 57 7.160 7.160 8.206 -1.046 19452 6122 1 12 . 1 1 58 58 LEU N N 58 119.900 119.900 121.361 -1.461 19452 6123 1 12 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.233 -0.033 19452 6124 1 12 . 1 1 58 58 LEU C C 58 178.700 178.700 177.077 1.623 19452 6125 1 12 . 1 1 58 58 LEU CA C 58 57.700 57.700 54.945 2.755 19452 6126 1 12 . 1 1 58 58 LEU CB C 58 41.700 41.700 42.634 -0.934 19452 6127 1 12 . 1 1 58 58 LEU H H 58 7.650 7.650 8.317 -0.667 19452 6128 1 12 . 1 1 59 59 ALA N N 59 120.700 120.700 120.913 -0.213 19452 6129 1 12 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.106 -0.246 19452 6130 1 12 . 1 1 59 59 ALA C C 59 180.000 180.000 176.298 3.702 19452 6131 1 12 . 1 1 59 59 ALA CA C 59 54.600 54.600 52.681 1.919 19452 6132 1 12 . 1 1 59 59 ALA CB C 59 18.000 18.000 18.804 -0.804 19452 6133 1 12 . 1 1 59 59 ALA H H 59 8.440 8.440 7.781 0.659 19452 6134 1 12 . 1 1 60 60 GLN N N 60 113.100 113.100 119.135 -6.035 19452 6135 1 12 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.238 -0.178 19452 6136 1 12 . 1 1 60 60 GLN C C 60 177.800 177.800 175.431 2.369 19452 6137 1 12 . 1 1 60 60 GLN CA C 60 57.500 57.500 55.029 2.471 19452 6138 1 12 . 1 1 60 60 GLN CB C 60 28.800 28.800 29.262 -0.462 19452 6139 1 12 . 1 1 60 60 GLN H H 60 7.340 7.340 8.224 -0.884 19452 6140 1 12 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.257 -0.227 19452 6141 1 12 . 1 1 61 61 GLN C C 61 177.300 177.300 176.663 0.637 19452 6142 1 12 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.590 0.210 19452 6143 1 12 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.369 -0.369 19452 6144 1 12 . 1 1 62 62 TYR N N 62 117.300 117.300 117.936 -0.636 19452 6145 1 12 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.294 0.686 19452 6146 1 12 . 1 1 62 62 TYR C C 62 175.800 175.800 178.425 -2.625 19452 6147 1 12 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.430 -4.330 19452 6148 1 12 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.705 0.195 19452 6149 1 12 . 1 1 62 62 TYR H H 62 7.950 7.950 8.878 -0.928 19452 6150 1 12 . 1 1 63 63 THR N N 63 111.900 111.900 112.625 -0.725 19452 6151 1 12 . 1 1 63 63 THR HA H 63 4.190 4.190 3.983 0.207 19452 6152 1 12 . 1 1 63 63 THR C C 63 175.700 175.700 176.804 -1.104 19452 6153 1 12 . 1 1 63 63 THR CA C 63 64.600 64.600 65.565 -0.965 19452 6154 1 12 . 1 1 63 63 THR CB C 63 69.200 69.200 68.381 0.819 19452 6155 1 12 . 1 1 63 63 THR H H 63 7.110 7.110 7.548 -0.438 19452 6156 1 12 . 1 1 64 64 GLU N N 64 117.500 117.500 118.665 -1.165 19452 6157 1 12 . 1 1 64 64 GLU HA H 64 4.300 4.300 4.011 0.289 19452 6158 1 12 . 1 1 64 64 GLU C C 64 177.400 177.400 179.156 -1.756 19452 6159 1 12 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.281 -1.281 19452 6160 1 12 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.146 0.954 19452 6161 1 12 . 1 1 64 64 GLU H H 64 8.610 8.610 7.900 0.710 19452 6162 1 12 . 1 1 65 65 ASN N N 65 113.300 113.300 118.161 -4.861 19452 6163 1 12 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.466 0.524 19452 6164 1 12 . 1 1 65 65 ASN C C 65 173.600 173.600 178.266 -4.666 19452 6165 1 12 . 1 1 65 65 ASN CA C 65 54.000 54.000 55.757 -1.757 19452 6166 1 12 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.326 2.774 19452 6167 1 12 . 1 1 65 65 ASN H H 65 8.050 8.050 8.524 -0.474 19452 6168 1 12 . 1 1 66 66 VAL N N 66 119.200 119.200 117.717 1.483 19452 6169 1 12 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.937 1.603 19452 6170 1 12 . 1 1 66 66 VAL C C 66 174.900 174.900 178.002 -3.102 19452 6171 1 12 . 1 1 66 66 VAL CA C 66 59.900 59.900 63.978 -4.078 19452 6172 1 12 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.773 4.927 19452 6173 1 12 . 1 1 66 66 VAL H H 66 7.890 7.890 8.067 -0.177 19452 6174 1 12 . 1 1 67 67 LYS N N 67 127.600 127.600 119.756 7.844 19452 6175 1 12 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.884 0.676 19452 6176 1 12 . 1 1 67 67 LYS C C 67 173.600 173.600 178.518 -4.918 19452 6177 1 12 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.480 -5.380 19452 6178 1 12 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.712 4.488 19452 6179 1 12 . 1 1 67 67 LYS H H 67 8.700 8.700 8.174 0.526 19452 6180 1 12 . 1 1 68 68 ILE N N 68 123.200 123.200 116.496 6.704 19452 6181 1 12 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.840 0.740 19452 6182 1 12 . 1 1 68 68 ILE C C 68 173.900 173.900 179.112 -5.212 19452 6183 1 12 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.666 -3.166 19452 6184 1 12 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.956 0.544 19452 6185 1 12 . 1 1 68 68 ILE H H 68 8.770 8.770 7.597 1.173 19452 6186 1 12 . 1 1 69 69 TYR N N 69 124.400 124.400 118.930 5.470 19452 6187 1 12 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.235 1.425 19452 6188 1 12 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.396 -4.796 19452 6189 1 12 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.653 4.747 19452 6190 1 12 . 1 1 69 69 TYR H H 69 9.060 9.060 7.530 1.530 19452 6191 1 12 . 1 1 73 73 ILE C C 73 177.400 177.400 174.019 3.381 19452 6192 1 12 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.097 1.503 19452 6193 1 12 . 1 1 74 74 GLU N N 74 121.800 121.800 119.396 2.404 19452 6194 1 12 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.841 -0.561 19452 6195 1 12 . 1 1 74 74 GLU C C 74 177.800 177.800 174.403 3.397 19452 6196 1 12 . 1 1 74 74 GLU CA C 74 58.900 58.900 55.185 3.715 19452 6197 1 12 . 1 1 74 74 GLU CB C 74 29.700 29.700 33.310 -3.611 19452 6198 1 12 . 1 1 74 74 GLU H H 74 8.560 8.560 7.783 0.777 19452 6199 1 12 . 1 1 75 75 ASP N N 75 114.200 114.200 124.398 -10.198 19452 6200 1 12 . 1 1 75 75 ASP C C 75 175.800 175.800 173.943 1.857 19452 6201 1 12 . 1 1 75 75 ASP CA C 75 54.000 54.000 52.032 1.968 19452 6202 1 12 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.032 -2.232 19452 6203 1 12 . 1 1 75 75 ASP H H 75 6.840 6.840 8.868 -2.028 19452 6204 1 12 . 1 1 76 76 ASN N N 76 118.400 118.400 119.050 -0.650 19452 6205 1 12 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.464 -0.444 19452 6206 1 12 . 1 1 76 76 ASN C C 76 174.000 174.000 173.480 0.520 19452 6207 1 12 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.236 1.464 19452 6208 1 12 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.652 -1.052 19452 6209 1 12 . 1 1 76 76 ASN H H 76 7.600 7.600 8.226 -0.626 19452 6210 1 12 . 1 1 77 77 GLN N N 77 122.000 122.000 122.967 -0.967 19452 6211 1 12 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.683 0.057 19452 6212 1 12 . 1 1 77 77 GLN C C 77 177.800 177.800 173.948 3.852 19452 6213 1 12 . 1 1 77 77 GLN CA C 77 56.400 56.400 54.521 1.879 19452 6214 1 12 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.644 -3.044 19452 6215 1 12 . 1 1 77 77 GLN H H 77 9.040 9.040 9.142 -0.102 19452 6216 1 12 . 1 1 78 78 ASP N N 78 125.900 125.900 118.658 7.242 19452 6217 1 12 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.327 -0.917 19452 6218 1 12 . 1 1 78 78 ASP C C 78 178.900 178.900 174.737 4.163 19452 6219 1 12 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.936 6.764 19452 6220 1 12 . 1 1 78 78 ASP CB C 78 40.000 40.000 44.852 -4.852 19452 6221 1 12 . 1 1 78 78 ASP H H 78 10.210 10.210 9.203 1.007 19452 6222 1 12 . 1 1 79 79 VAL N N 79 123.800 123.800 117.581 6.219 19452 6223 1 12 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.465 -0.975 19452 6224 1 12 . 1 1 79 79 VAL C C 79 178.400 178.400 174.771 3.629 19452 6225 1 12 . 1 1 79 79 VAL CA C 79 66.500 66.500 60.397 6.103 19452 6226 1 12 . 1 1 79 79 VAL CB C 79 30.500 30.500 33.659 -3.159 19452 6227 1 12 . 1 1 79 79 VAL H H 79 8.130 8.130 8.558 -0.428 19452 6228 1 12 . 1 1 80 80 ALA N N 80 121.800 121.800 131.002 -9.202 19452 6229 1 12 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.550 -1.040 19452 6230 1 12 . 1 1 80 80 ALA C C 80 179.600 179.600 175.975 3.625 19452 6231 1 12 . 1 1 80 80 ALA CA C 80 54.900 54.900 51.219 3.681 19452 6232 1 12 . 1 1 80 80 ALA CB C 80 17.300 17.300 20.675 -3.375 19452 6233 1 12 . 1 1 80 80 ALA H H 80 9.250 9.250 8.031 1.219 19452 6234 1 12 . 1 1 81 81 THR N N 81 113.200 113.200 114.455 -1.255 19452 6235 1 12 . 1 1 81 81 THR HA H 81 3.960 3.960 4.514 -0.554 19452 6236 1 12 . 1 1 81 81 THR C C 81 177.700 177.700 173.827 3.873 19452 6237 1 12 . 1 1 81 81 THR CA C 81 66.400 66.400 60.024 6.376 19452 6238 1 12 . 1 1 81 81 THR CB C 81 68.500 68.500 71.109 -2.609 19452 6239 1 12 . 1 1 81 81 THR H H 81 7.990 7.990 7.889 0.101 19452 6240 1 12 . 1 1 82 82 GLN N N 82 123.800 123.800 120.730 3.070 19452 6241 1 12 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.142 -0.292 19452 6242 1 12 . 1 1 82 82 GLN C C 82 177.900 177.900 176.283 1.617 19452 6243 1 12 . 1 1 82 82 GLN CA C 82 58.900 58.900 56.428 2.472 19452 6244 1 12 . 1 1 82 82 GLN CB C 82 28.000 28.000 28.638 -0.638 19452 6245 1 12 . 1 1 82 82 GLN H H 82 8.170 8.170 8.605 -0.435 19452 6246 1 12 . 1 1 83 83 TYR N N 83 112.900 112.900 116.887 -3.987 19452 6247 1 12 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.497 -0.067 19452 6248 1 12 . 1 1 83 83 TYR C C 83 175.300 175.300 174.518 0.782 19452 6249 1 12 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.069 0.931 19452 6250 1 12 . 1 1 83 83 TYR CB C 83 38.500 38.500 39.637 -1.137 19452 6251 1 12 . 1 1 83 83 TYR H H 83 7.780 7.780 8.046 -0.266 19452 6252 1 12 . 1 1 84 84 GLY N N 84 110.200 110.200 107.752 2.448 19452 6253 1 12 . 1 1 84 84 GLY C C 84 175.300 175.300 172.644 2.656 19452 6254 1 12 . 1 1 84 84 GLY CA C 84 47.100 47.100 44.279 2.821 19452 6255 1 12 . 1 1 84 84 GLY H H 84 7.670 7.670 7.648 0.022 19452 6256 1 12 . 1 1 85 85 VAL N N 85 121.300 121.300 121.848 -0.548 19452 6257 1 12 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.188 -0.318 19452 6258 1 12 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.010 1.990 19452 6259 1 12 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.274 -2.774 19452 6260 1 12 . 1 1 85 85 VAL H H 85 8.500 8.500 8.347 0.153 19452 6261 1 12 . 1 1 90 90 THR HA H 90 5.170 5.170 3.960 1.210 19452 6262 1 12 . 1 1 90 90 THR C C 90 172.300 172.300 176.486 -4.186 19452 6263 1 12 . 1 1 90 90 THR CA C 90 63.500 63.500 64.803 -1.303 19452 6264 1 12 . 1 1 90 90 THR CB C 90 73.300 73.300 68.646 4.654 19452 6265 1 12 . 1 1 91 91 ILE N N 91 126.600 126.600 116.656 9.944 19452 6266 1 12 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.179 1.411 19452 6267 1 12 . 1 1 91 91 ILE C C 91 175.900 175.900 176.686 -0.786 19452 6268 1 12 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.430 -3.030 19452 6269 1 12 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.323 1.677 19452 6270 1 12 . 1 1 91 91 ILE H H 91 9.340 9.340 7.751 1.589 19452 6271 1 12 . 1 1 92 92 LEU N N 92 125.700 125.700 119.290 6.410 19452 6272 1 12 . 1 1 92 92 LEU HA H 92 5.120 5.120 3.961 1.159 19452 6273 1 12 . 1 1 92 92 LEU C C 92 176.100 176.100 175.983 0.117 19452 6274 1 12 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.978 -1.878 19452 6275 1 12 . 1 1 92 92 LEU H H 92 9.120 9.120 7.722 1.398 19452 6276 1 12 . 1 1 93 93 MET N N 93 117.700 117.700 119.558 -1.858 19452 6277 1 12 . 1 1 93 93 MET HA H 93 5.860 5.860 4.820 1.040 19452 6278 1 12 . 1 1 93 93 MET C C 93 174.400 174.400 175.389 -0.989 19452 6279 1 12 . 1 1 93 93 MET CA C 93 54.400 54.400 53.734 0.666 19452 6280 1 12 . 1 1 93 93 MET CB C 93 34.100 34.100 35.050 -0.950 19452 6281 1 12 . 1 1 93 93 MET H H 93 8.080 8.080 8.369 -0.289 19452 6282 1 12 . 1 1 94 94 PHE N N 94 123.300 123.300 125.182 -1.882 19452 6283 1 12 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.428 1.142 19452 6284 1 12 . 1 1 94 94 PHE C C 94 174.800 174.800 175.830 -1.030 19452 6285 1 12 . 1 1 94 94 PHE CA C 94 55.900 55.900 57.345 -1.445 19452 6286 1 12 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.787 5.013 19452 6287 1 12 . 1 1 94 94 PHE H H 94 9.990 9.990 8.187 1.803 19452 6288 1 12 . 1 1 95 95 LYS N N 95 117.100 117.100 119.800 -2.700 19452 6289 1 12 . 1 1 95 95 LYS C C 95 176.500 176.500 176.624 -0.124 19452 6290 1 12 . 1 1 95 95 LYS CA C 95 57.500 57.500 57.953 -0.453 19452 6291 1 12 . 1 1 95 95 LYS CB C 95 37.200 37.200 31.972 5.228 19452 6292 1 12 . 1 1 95 95 LYS H H 95 8.630 8.630 8.482 0.148 19452 6293 1 12 . 1 1 96 96 ASN N N 96 130.400 130.400 112.928 17.472 19452 6294 1 12 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.533 0.287 19452 6295 1 12 . 1 1 96 96 ASN C C 96 175.900 175.900 173.432 2.468 19452 6296 1 12 . 1 1 96 96 ASN CA C 96 54.500 54.500 50.947 3.553 19452 6297 1 12 . 1 1 96 96 ASN CB C 96 36.900 36.900 37.694 -0.794 19452 6298 1 12 . 1 1 96 96 ASN H H 96 10.190 10.190 7.675 2.515 19452 6299 1 12 . 1 1 97 97 GLY C C 97 173.700 173.700 173.557 0.143 19452 6300 1 12 . 1 1 97 97 GLY CA C 97 46.000 46.000 45.131 0.869 19452 6301 1 12 . 1 1 98 98 LYS N N 98 120.300 120.300 121.806 -1.506 19452 6302 1 12 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.547 0.193 19452 6303 1 12 . 1 1 98 98 LYS C C 98 175.500 175.500 175.176 0.324 19452 6304 1 12 . 1 1 98 98 LYS CA C 98 54.700 54.700 56.152 -1.452 19452 6305 1 12 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.548 -2.348 19452 6306 1 12 . 1 1 98 98 LYS H H 98 7.840 7.840 8.207 -0.367 19452 6307 1 12 . 1 1 99 99 LYS N N 99 124.900 124.900 124.349 0.551 19452 6308 1 12 . 1 1 99 99 LYS HA H 99 3.610 3.610 4.872 -1.262 19452 6309 1 12 . 1 1 99 99 LYS C C 99 176.300 176.300 175.059 1.241 19452 6310 1 12 . 1 1 99 99 LYS CA C 99 56.600 56.600 54.590 2.010 19452 6311 1 12 . 1 1 99 99 LYS CB C 99 31.500 31.500 35.127 -3.627 19452 6312 1 12 . 1 1 99 99 LYS H H 99 8.880 8.880 8.974 -0.094 19452 6313 1 12 . 1 1 100 100 LEU N N 100 128.800 128.800 125.202 3.598 19452 6314 1 12 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.570 -0.130 19452 6315 1 12 . 1 1 100 100 LEU C C 100 177.400 177.400 175.548 1.852 19452 6316 1 12 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.702 1.598 19452 6317 1 12 . 1 1 100 100 LEU CB C 100 44.100 44.100 45.307 -1.207 19452 6318 1 12 . 1 1 100 100 LEU H H 100 9.320 9.320 8.443 0.877 19452 6319 1 12 . 1 1 101 101 SER N N 101 109.000 109.000 118.082 -9.082 19452 6320 1 12 . 1 1 101 101 SER HA H 101 4.550 4.550 4.989 -0.439 19452 6321 1 12 . 1 1 101 101 SER C C 101 172.400 172.400 173.466 -1.066 19452 6322 1 12 . 1 1 101 101 SER CA C 101 57.200 57.200 58.357 -1.157 19452 6323 1 12 . 1 1 101 101 SER CB C 101 64.400 64.400 63.997 0.403 19452 6324 1 12 . 1 1 101 101 SER H H 101 7.260 7.260 8.736 -1.476 19452 6325 1 12 . 1 1 102 102 GLN N N 102 119.900 119.900 123.571 -3.671 19452 6326 1 12 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.408 -0.188 19452 6327 1 12 . 1 1 102 102 GLN C C 102 173.800 173.800 174.386 -0.586 19452 6328 1 12 . 1 1 102 102 GLN CA C 102 54.400 54.400 54.186 0.214 19452 6329 1 12 . 1 1 102 102 GLN CB C 102 31.800 31.800 33.669 -1.869 19452 6330 1 12 . 1 1 102 102 GLN H H 102 8.230 8.230 8.902 -0.672 19452 6331 1 12 . 1 1 103 103 VAL N N 103 123.800 123.800 120.483 3.317 19452 6332 1 12 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.474 -0.144 19452 6333 1 12 . 1 1 103 103 VAL C C 103 174.600 174.600 175.203 -0.603 19452 6334 1 12 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.087 -0.388 19452 6335 1 12 . 1 1 103 103 VAL CB C 103 34.600 34.600 35.065 -0.465 19452 6336 1 12 . 1 1 103 103 VAL H H 103 9.310 9.310 9.166 0.144 19452 6337 1 12 . 1 1 104 104 ILE N N 104 129.400 129.400 125.336 4.064 19452 6338 1 12 . 1 1 104 104 ILE C C 104 176.400 176.400 175.832 0.568 19452 6339 1 12 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.874 -1.374 19452 6340 1 12 . 1 1 104 104 ILE CB C 104 38.700 38.700 37.305 1.395 19452 6341 1 12 . 1 1 104 104 ILE H H 104 8.970 8.970 8.968 0.002 19452 6342 1 12 . 1 1 105 105 GLY N N 105 115.400 115.400 103.794 11.606 19452 6343 1 12 . 1 1 105 105 GLY C C 105 172.700 172.700 173.323 -0.623 19452 6344 1 12 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.102 -1.402 19452 6345 1 12 . 1 1 105 105 GLY H H 105 8.500 8.500 8.498 0.002 19452 6346 1 12 . 1 1 106 106 ALA N N 106 120.200 120.200 123.166 -2.966 19452 6347 1 12 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.778 -0.398 19452 6348 1 12 . 1 1 106 106 ALA C C 106 176.300 176.300 175.852 0.448 19452 6349 1 12 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.790 -0.290 19452 6350 1 12 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.539 -4.139 19452 6351 1 12 . 1 1 106 106 ALA H H 106 8.360 8.360 7.898 0.462 19452 6352 1 12 . 1 1 107 107 ASP N N 107 121.100 121.100 124.978 -3.878 19452 6353 1 12 . 1 1 107 107 ASP HA H 107 4.770 4.770 4.870 -0.100 19452 6354 1 12 . 1 1 107 107 ASP C C 107 176.600 176.600 175.370 1.230 19452 6355 1 12 . 1 1 107 107 ASP CA C 107 52.600 52.600 54.273 -1.673 19452 6356 1 12 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.171 -0.571 19452 6357 1 12 . 1 1 107 107 ASP H H 107 7.610 7.610 8.876 -1.266 19452 6358 1 12 . 1 1 108 108 ILE N N 108 125.700 125.700 121.034 4.666 19452 6359 1 12 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.449 -0.439 19452 6360 1 12 . 1 1 108 108 ILE C C 108 176.400 176.400 175.942 0.458 19452 6361 1 12 . 1 1 108 108 ILE CA C 108 60.700 60.700 60.576 0.124 19452 6362 1 12 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.021 0.279 19452 6363 1 12 . 1 1 108 108 ILE H H 108 8.550 8.550 8.251 0.299 19452 6364 1 12 . 1 1 109 109 SER N N 109 117.700 117.700 110.664 7.036 19452 6365 1 12 . 1 1 109 109 SER HA H 109 4.180 4.180 4.551 -0.371 19452 6366 1 12 . 1 1 109 109 SER C C 109 177.300 177.300 171.797 5.503 19452 6367 1 12 . 1 1 109 109 SER CA C 109 61.700 61.700 58.334 3.366 19452 6368 1 12 . 1 1 109 109 SER CB C 109 62.100 62.100 65.637 -3.537 19452 6369 1 12 . 1 1 109 109 SER H H 109 8.330 8.330 7.311 1.019 19452 6370 1 12 . 1 1 110 110 LYS N N 110 123.200 123.200 120.301 2.899 19452 6371 1 12 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.695 -0.475 19452 6372 1 12 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.146 2.954 19452 6373 1 12 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.357 -2.057 19452 6374 1 12 . 1 1 110 110 LYS H H 110 7.480 7.480 8.327 -0.847 19452 6375 1 12 . 1 1 111 111 ILE N N 111 119.300 119.300 125.971 -6.671 19452 6376 1 12 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.329 -0.299 19452 6377 1 12 . 1 1 111 111 ILE C C 111 177.200 177.200 174.633 2.567 19452 6378 1 12 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.794 0.306 19452 6379 1 12 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.865 -2.065 19452 6380 1 12 . 1 1 111 111 ILE H H 111 7.640 7.640 8.199 -0.559 19452 6381 1 12 . 1 1 112 112 ILE N N 112 118.700 118.700 125.921 -7.221 19452 6382 1 12 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.354 -0.924 19452 6383 1 12 . 1 1 112 112 ILE C C 112 177.700 177.700 176.039 1.661 19452 6384 1 12 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.828 5.272 19452 6385 1 12 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.715 -0.215 19452 6386 1 12 . 1 1 112 112 ILE H H 112 8.410 8.410 8.497 -0.087 19452 6387 1 12 . 1 1 113 113 SER N N 113 113.800 113.800 122.735 -8.935 19452 6388 1 12 . 1 1 113 113 SER HA H 113 4.200 4.200 4.339 -0.139 19452 6389 1 12 . 1 1 113 113 SER C C 113 177.200 177.200 172.964 4.236 19452 6390 1 12 . 1 1 113 113 SER CA C 113 62.000 62.000 57.608 4.392 19452 6391 1 12 . 1 1 113 113 SER H H 113 7.920 7.920 8.624 -0.704 19452 6392 1 12 . 1 1 114 114 GLU N N 114 119.400 119.400 122.480 -3.080 19452 6393 1 12 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.590 -0.440 19452 6394 1 12 . 1 1 114 114 GLU C C 114 179.900 179.900 175.069 4.831 19452 6395 1 12 . 1 1 114 114 GLU CA C 114 58.500 58.500 55.814 2.686 19452 6396 1 12 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.152 -2.852 19452 6397 1 12 . 1 1 114 114 GLU H H 114 8.010 8.010 8.510 -0.500 19452 6398 1 12 . 1 1 115 115 ILE N N 115 121.700 121.700 125.032 -3.332 19452 6399 1 12 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.483 -1.103 19452 6400 1 12 . 1 1 115 115 ILE C C 115 178.100 178.100 175.095 3.005 19452 6401 1 12 . 1 1 115 115 ILE CA C 115 66.000 66.000 61.074 4.926 19452 6402 1 12 . 1 1 115 115 ILE CB C 115 37.700 37.700 40.049 -2.349 19452 6403 1 12 . 1 1 115 115 ILE H H 115 8.370 8.370 8.268 0.102 19452 6404 1 12 . 1 1 116 116 ASN N N 116 116.100 116.100 123.362 -7.262 19452 6405 1 12 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.381 -0.051 19452 6406 1 12 . 1 1 116 116 ASN C C 116 177.900 177.900 175.902 1.998 19452 6407 1 12 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.628 0.272 19452 6408 1 12 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.869 -1.269 19452 6409 1 12 . 1 1 116 116 ASN H H 116 8.230 8.230 8.749 -0.519 19452 6410 1 12 . 1 1 117 117 ASN N N 117 115.400 115.400 116.811 -1.411 19452 6411 1 12 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.437 0.193 19452 6412 1 12 . 1 1 117 117 ASN C C 117 176.200 176.200 177.349 -1.149 19452 6413 1 12 . 1 1 117 117 ASN CA C 117 54.300 54.300 56.205 -1.905 19452 6414 1 12 . 1 1 117 117 ASN CB C 117 39.100 39.100 37.711 1.389 19452 6415 1 12 . 1 1 117 117 ASN H H 117 7.930 7.930 8.491 -0.561 19452 6416 1 12 . 1 1 118 118 ASN N N 118 115.400 115.400 121.309 -5.909 19452 6417 1 12 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.663 0.347 19452 6418 1 12 . 1 1 118 118 ASN C C 118 174.400 174.400 177.369 -2.969 19452 6419 1 12 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.166 -0.966 19452 6420 1 12 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.775 3.425 19452 6421 1 12 . 1 1 118 118 ASN H H 118 7.710 7.710 7.594 0.116 19452 6422 1 12 . 1 1 119 119 ILE N N 119 117.300 117.300 117.584 -0.284 19452 6423 1 12 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.771 0.549 19452 6424 1 12 . 1 1 119 119 ILE C C 119 174.900 174.900 177.981 -3.081 19452 6425 1 12 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.942 -2.742 19452 6426 1 12 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.423 1.777 19452 6427 1 12 . 1 1 119 119 ILE H H 119 7.520 7.520 8.079 -0.559 19452 6428 1 12 . 1 1 120 120 ASN N N 120 124.900 124.900 114.520 10.380 19452 6429 1 12 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.541 -0.031 19452 6430 1 12 . 1 1 120 120 ASN CA C 120 55.000 55.000 55.899 -0.899 19452 6431 1 12 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.754 2.446 19452 6432 1 12 . 1 1 120 120 ASN H H 120 7.960 7.960 8.097 -0.137 19452 6433 1 13 . 1 1 2 2 GLY N N 2 109.900 109.900 111.054 -1.154 19452 6434 1 13 . 1 1 2 2 GLY C C 2 174.400 174.400 172.432 1.968 19452 6435 1 13 . 1 1 2 2 GLY CA C 2 45.600 45.600 44.659 0.941 19452 6436 1 13 . 1 1 2 2 GLY H H 2 8.480 8.480 9.077 -0.597 19452 6437 1 13 . 1 1 3 3 THR N N 3 113.700 113.700 115.119 -1.419 19452 6438 1 13 . 1 1 3 3 THR C C 3 174.900 174.900 172.505 2.395 19452 6439 1 13 . 1 1 3 3 THR CA C 3 62.400 62.400 62.000 0.400 19452 6440 1 13 . 1 1 3 3 THR CB C 3 70.000 70.000 71.432 -1.432 19452 6441 1 13 . 1 1 3 3 THR H H 3 8.090 8.090 8.482 -0.392 19452 6442 1 13 . 1 1 4 4 LEU N N 4 124.100 124.100 124.541 -0.441 19452 6443 1 13 . 1 1 4 4 LEU C C 4 177.600 177.600 175.210 2.390 19452 6444 1 13 . 1 1 4 4 LEU CA C 4 55.700 55.700 55.307 0.393 19452 6445 1 13 . 1 1 4 4 LEU CB C 4 42.300 42.300 42.675 -0.375 19452 6446 1 13 . 1 1 4 4 LEU H H 4 8.400 8.400 8.068 0.332 19452 6447 1 13 . 1 1 5 5 GLU N N 5 121.600 121.600 123.585 -1.985 19452 6448 1 13 . 1 1 5 5 GLU C C 5 176.500 176.500 175.274 1.226 19452 6449 1 13 . 1 1 5 5 GLU CA C 5 57.000 57.000 56.656 0.344 19452 6450 1 13 . 1 1 5 5 GLU CB C 5 29.900 29.900 31.148 -1.248 19452 6451 1 13 . 1 1 5 5 GLU H H 5 8.430 8.430 8.477 -0.047 19452 6452 1 13 . 1 1 6 6 ALA N N 6 124.500 124.500 125.248 -0.748 19452 6453 1 13 . 1 1 6 6 ALA C C 6 177.900 177.900 176.283 1.617 19452 6454 1 13 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.333 1.567 19452 6455 1 13 . 1 1 6 6 ALA CB C 6 19.200 19.200 21.229 -2.029 19452 6456 1 13 . 1 1 6 6 ALA H H 6 8.330 8.330 8.446 -0.116 19452 6457 1 13 . 1 1 7 7 GLN N N 7 119.200 119.200 119.115 0.085 19452 6458 1 13 . 1 1 7 7 GLN C C 7 176.400 176.400 175.130 1.270 19452 6459 1 13 . 1 1 7 7 GLN CA C 7 56.000 56.000 55.906 0.094 19452 6460 1 13 . 1 1 7 7 GLN CB C 7 29.200 29.200 29.362 -0.162 19452 6461 1 13 . 1 1 7 7 GLN H H 7 8.400 8.400 8.185 0.215 19452 6462 1 13 . 1 1 8 8 THR N N 8 115.100 115.100 115.316 -0.216 19452 6463 1 13 . 1 1 8 8 THR C C 8 174.500 174.500 173.986 0.514 19452 6464 1 13 . 1 1 8 8 THR CA C 8 62.300 62.300 61.897 0.403 19452 6465 1 13 . 1 1 8 8 THR CB C 8 70.000 70.000 69.600 0.400 19452 6466 1 13 . 1 1 8 8 THR H H 8 8.210 8.210 7.733 0.477 19452 6467 1 13 . 1 1 9 9 GLN N N 9 122.300 122.300 116.924 5.376 19452 6468 1 13 . 1 1 9 9 GLN C C 9 176.100 176.100 173.809 2.291 19452 6469 1 13 . 1 1 9 9 GLN CA C 9 55.900 55.900 55.369 0.531 19452 6470 1 13 . 1 1 9 9 GLN CB C 9 29.500 29.500 31.028 -1.528 19452 6471 1 13 . 1 1 9 9 GLN H H 9 8.470 8.470 8.398 0.072 19452 6472 1 13 . 1 1 10 10 GLY N N 10 110.300 110.300 106.755 3.545 19452 6473 1 13 . 1 1 10 10 GLY CA C 10 44.400 44.400 45.386 -0.986 19452 6474 1 13 . 1 1 10 10 GLY H H 10 8.360 8.360 8.448 -0.088 19452 6475 1 13 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.777 -0.337 19452 6476 1 13 . 1 1 11 11 PRO C C 11 177.800 177.800 177.660 0.140 19452 6477 1 13 . 1 1 11 11 PRO CA C 11 63.300 63.300 61.547 1.753 19452 6478 1 13 . 1 1 11 11 PRO CB C 11 32.000 32.000 33.421 -1.421 19452 6479 1 13 . 1 1 12 12 GLY N N 12 109.600 109.600 102.569 7.031 19452 6480 1 13 . 1 1 12 12 GLY CA C 12 44.900 44.900 45.542 -0.642 19452 6481 1 13 . 1 1 12 12 GLY H H 12 8.600 8.600 8.284 0.316 19452 6482 1 13 . 1 1 13 13 SER N N 13 114.700 114.700 117.709 -3.009 19452 6483 1 13 . 1 1 13 13 SER HA H 13 4.510 4.510 4.643 -0.133 19452 6484 1 13 . 1 1 13 13 SER C C 13 175.300 175.300 173.557 1.743 19452 6485 1 13 . 1 1 13 13 SER CA C 13 57.800 57.800 57.743 0.057 19452 6486 1 13 . 1 1 13 13 SER CB C 13 62.300 62.300 63.183 -0.883 19452 6487 1 13 . 1 1 13 13 SER H H 13 8.130 8.130 8.270 -0.140 19452 6488 1 13 . 1 1 14 14 MET N N 14 124.300 124.300 122.733 1.567 19452 6489 1 13 . 1 1 14 14 MET HA H 14 4.470 4.470 4.691 -0.221 19452 6490 1 13 . 1 1 14 14 MET CA C 14 55.700 55.700 55.302 0.398 19452 6491 1 13 . 1 1 14 14 MET CB C 14 32.700 32.700 33.082 -0.382 19452 6492 1 13 . 1 1 14 14 MET H H 14 9.430 9.430 8.469 0.961 19452 6493 1 13 . 1 1 15 15 ILE N N 15 122.600 122.600 121.800 0.800 19452 6494 1 13 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.393 -0.383 19452 6495 1 13 . 1 1 15 15 ILE C C 15 175.300 175.300 176.807 -1.507 19452 6496 1 13 . 1 1 15 15 ILE CA C 15 60.700 60.700 60.269 0.431 19452 6497 1 13 . 1 1 15 15 ILE CB C 15 37.500 37.500 39.152 -1.652 19452 6498 1 13 . 1 1 15 15 ILE H H 15 8.520 8.520 8.395 0.125 19452 6499 1 13 . 1 1 16 16 GLU N N 16 129.300 129.300 119.108 10.192 19452 6500 1 13 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.154 0.216 19452 6501 1 13 . 1 1 16 16 GLU C C 16 175.500 175.500 177.356 -1.856 19452 6502 1 13 . 1 1 16 16 GLU CA C 16 56.100 56.100 58.145 -2.045 19452 6503 1 13 . 1 1 16 16 GLU CB C 16 31.400 31.400 29.952 1.448 19452 6504 1 13 . 1 1 16 16 GLU H H 16 8.220 8.220 8.367 -0.147 19452 6505 1 13 . 1 1 17 17 GLN N N 17 124.500 124.500 122.223 2.277 19452 6506 1 13 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.409 0.711 19452 6507 1 13 . 1 1 17 17 GLN C C 17 176.000 176.000 175.230 0.770 19452 6508 1 13 . 1 1 17 17 GLN CA C 17 55.200 55.200 55.288 -0.088 19452 6509 1 13 . 1 1 17 17 GLN CB C 17 30.400 30.400 29.664 0.736 19452 6510 1 13 . 1 1 17 17 GLN H H 17 8.810 8.810 8.063 0.747 19452 6511 1 13 . 1 1 18 18 ILE N N 18 118.700 118.700 122.182 -3.482 19452 6512 1 13 . 1 1 18 18 ILE C C 18 174.400 174.400 173.072 1.328 19452 6513 1 13 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.730 -2.130 19452 6514 1 13 . 1 1 18 18 ILE H H 18 8.840 8.840 8.415 0.425 19452 6515 1 13 . 1 1 19 19 GLY C C 19 174.800 174.800 174.258 0.542 19452 6516 1 13 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.889 -1.789 19452 6517 1 13 . 1 1 20 20 ASP N N 20 119.100 119.100 122.713 -3.613 19452 6518 1 13 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.617 -0.027 19452 6519 1 13 . 1 1 20 20 ASP C C 20 179.900 179.900 176.719 3.181 19452 6520 1 13 . 1 1 20 20 ASP CA C 20 58.000 58.000 54.422 3.578 19452 6521 1 13 . 1 1 20 20 ASP H H 20 8.090 8.090 8.580 -0.490 19452 6522 1 13 . 1 1 21 21 SER N N 21 112.000 112.000 116.873 -4.873 19452 6523 1 13 . 1 1 21 21 SER HA H 21 4.320 4.320 4.211 0.109 19452 6524 1 13 . 1 1 21 21 SER CA C 21 60.700 60.700 60.224 0.476 19452 6525 1 13 . 1 1 21 21 SER CB C 21 62.500 62.500 63.443 -0.943 19452 6526 1 13 . 1 1 21 21 SER H H 21 8.750 8.750 8.395 0.355 19452 6527 1 13 . 1 1 22 22 GLU N N 22 119.000 119.000 119.093 -0.093 19452 6528 1 13 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.388 0.192 19452 6529 1 13 . 1 1 22 22 GLU C C 22 176.000 176.000 175.521 0.479 19452 6530 1 13 . 1 1 22 22 GLU CA C 22 56.200 56.200 57.081 -0.881 19452 6531 1 13 . 1 1 22 22 GLU CB C 22 31.600 31.600 29.165 2.435 19452 6532 1 13 . 1 1 22 22 GLU H H 22 7.660 7.660 8.120 -0.460 19452 6533 1 13 . 1 1 23 23 PHE N N 23 120.900 120.900 119.759 1.141 19452 6534 1 13 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.545 -0.975 19452 6535 1 13 . 1 1 23 23 PHE C C 23 176.500 176.500 175.809 0.691 19452 6536 1 13 . 1 1 23 23 PHE CA C 23 63.100 63.100 59.254 3.846 19452 6537 1 13 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.226 1.474 19452 6538 1 13 . 1 1 23 23 PHE H H 23 7.490 7.490 8.194 -0.704 19452 6539 1 13 . 1 1 24 24 ASP N N 24 118.500 118.500 128.327 -9.827 19452 6540 1 13 . 1 1 24 24 ASP HA H 24 4.630 4.630 4.790 -0.160 19452 6541 1 13 . 1 1 24 24 ASP C C 24 178.400 178.400 174.918 3.482 19452 6542 1 13 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.176 4.524 19452 6543 1 13 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.806 -3.606 19452 6544 1 13 . 1 1 24 24 ASP H H 24 8.900 8.900 8.719 0.181 19452 6545 1 13 . 1 1 25 25 ASN N N 25 117.200 117.200 118.914 -1.714 19452 6546 1 13 . 1 1 25 25 ASN HA H 25 4.200 4.200 5.056 -0.856 19452 6547 1 13 . 1 1 25 25 ASN C C 25 176.400 176.400 175.299 1.101 19452 6548 1 13 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.214 3.786 19452 6549 1 13 . 1 1 25 25 ASN CB C 25 39.000 39.000 38.882 0.118 19452 6550 1 13 . 1 1 26 26 LYS N N 26 112.800 112.800 119.012 -6.212 19452 6551 1 13 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.799 -0.799 19452 6552 1 13 . 1 1 26 26 LYS C C 26 175.500 175.500 175.404 0.096 19452 6553 1 13 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.622 1.678 19452 6554 1 13 . 1 1 26 26 LYS CB C 26 33.000 33.000 34.487 -1.487 19452 6555 1 13 . 1 1 26 26 LYS H H 26 7.730 7.730 9.070 -1.340 19452 6556 1 13 . 1 1 27 27 VAL N N 27 114.500 114.500 116.675 -2.175 19452 6557 1 13 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.371 -0.331 19452 6558 1 13 . 1 1 27 27 VAL C C 27 177.900 177.900 175.947 1.953 19452 6559 1 13 . 1 1 27 27 VAL CA C 27 63.700 63.700 61.267 2.433 19452 6560 1 13 . 1 1 27 27 VAL H H 27 7.680 7.680 8.278 -0.598 19452 6561 1 13 . 1 1 28 28 THR N N 28 110.000 110.000 115.809 -5.809 19452 6562 1 13 . 1 1 28 28 THR HA H 28 3.710 3.710 3.978 -0.268 19452 6563 1 13 . 1 1 28 28 THR C C 28 175.800 175.800 175.311 0.489 19452 6564 1 13 . 1 1 28 28 THR CA C 28 65.200 65.200 64.864 0.336 19452 6565 1 13 . 1 1 28 28 THR CB C 28 68.100 68.100 68.413 -0.313 19452 6566 1 13 . 1 1 28 28 THR H H 28 7.010 7.010 8.580 -1.570 19452 6567 1 13 . 1 1 29 29 SER N N 29 113.600 113.600 113.038 0.562 19452 6568 1 13 . 1 1 29 29 SER HA H 29 4.480 4.480 4.404 0.076 19452 6569 1 13 . 1 1 29 29 SER C C 29 174.200 174.200 175.169 -0.969 19452 6570 1 13 . 1 1 29 29 SER CA C 29 58.500 58.500 59.787 -1.287 19452 6571 1 13 . 1 1 29 29 SER CB C 29 63.300 63.300 62.976 0.324 19452 6572 1 13 . 1 1 29 29 SER H H 29 8.350 8.350 8.254 0.096 19452 6573 1 13 . 1 1 30 30 CYS N N 30 120.000 120.000 119.231 0.769 19452 6574 1 13 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.661 -0.541 19452 6575 1 13 . 1 1 30 30 CYS C C 30 174.200 174.200 175.536 -1.336 19452 6576 1 13 . 1 1 30 30 CYS CA C 30 69.700 69.700 57.615 12.085 19452 6577 1 13 . 1 1 30 30 CYS CB C 30 27.800 27.800 27.320 0.480 19452 6578 1 13 . 1 1 30 30 CYS H H 30 6.810 6.810 7.901 -1.091 19452 6579 1 13 . 1 1 31 31 ASN N N 31 124.300 124.300 121.264 3.036 19452 6580 1 13 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.224 0.886 19452 6581 1 13 . 1 1 31 31 ASN C C 31 174.900 174.900 175.779 -0.879 19452 6582 1 13 . 1 1 31 31 ASN CA C 31 52.400 52.400 57.162 -4.762 19452 6583 1 13 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.297 0.203 19452 6584 1 13 . 1 1 31 31 ASN H H 31 8.760 8.760 7.942 0.818 19452 6585 1 13 . 1 1 32 32 ASP N N 32 119.000 119.000 117.004 1.996 19452 6586 1 13 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.947 0.613 19452 6587 1 13 . 1 1 32 32 ASP C C 32 176.600 176.600 178.832 -2.232 19452 6588 1 13 . 1 1 32 32 ASP CA C 32 53.500 53.500 57.012 -3.512 19452 6589 1 13 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.709 2.291 19452 6590 1 13 . 1 1 32 32 ASP H H 32 7.720 7.720 8.857 -1.137 19452 6591 1 13 . 1 1 33 33 ASN N N 33 115.400 115.400 117.672 -2.272 19452 6592 1 13 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.338 -0.168 19452 6593 1 13 . 1 1 33 33 ASN C C 33 173.700 173.700 175.994 -2.294 19452 6594 1 13 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.863 -1.563 19452 6595 1 13 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.497 -0.697 19452 6596 1 13 . 1 1 33 33 ASN H H 33 9.750 9.750 8.336 1.414 19452 6597 1 13 . 1 1 34 34 ILE N N 34 120.700 120.700 114.747 5.953 19452 6598 1 13 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.269 -0.249 19452 6599 1 13 . 1 1 34 34 ILE C C 34 175.500 175.500 178.196 -2.696 19452 6600 1 13 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.474 -3.074 19452 6601 1 13 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.087 -1.587 19452 6602 1 13 . 1 1 34 34 ILE H H 34 7.850 7.850 7.432 0.418 19452 6603 1 13 . 1 1 35 35 LEU N N 35 128.400 128.400 123.172 5.228 19452 6604 1 13 . 1 1 35 35 LEU HA H 35 4.670 4.670 3.866 0.804 19452 6605 1 13 . 1 1 35 35 LEU C C 35 173.700 173.700 177.943 -4.243 19452 6606 1 13 . 1 1 35 35 LEU CA C 35 54.900 54.900 59.506 -4.606 19452 6607 1 13 . 1 1 35 35 LEU CB C 35 42.400 42.400 41.800 0.600 19452 6608 1 13 . 1 1 35 35 LEU H H 35 8.100 8.100 8.365 -0.265 19452 6609 1 13 . 1 1 36 36 ILE N N 36 128.800 128.800 119.266 9.534 19452 6610 1 13 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.898 1.152 19452 6611 1 13 . 1 1 36 36 ILE C C 36 175.800 175.800 177.754 -1.954 19452 6612 1 13 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.320 -4.520 19452 6613 1 13 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.284 2.616 19452 6614 1 13 . 1 1 36 36 ILE H H 36 9.320 9.320 7.539 1.781 19452 6615 1 13 . 1 1 37 37 LEU N N 37 129.600 129.600 120.752 8.848 19452 6616 1 13 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.235 1.035 19452 6617 1 13 . 1 1 37 37 LEU C C 37 175.500 175.500 177.022 -1.522 19452 6618 1 13 . 1 1 37 37 LEU CA C 37 54.000 54.000 55.596 -1.597 19452 6619 1 13 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.308 2.492 19452 6620 1 13 . 1 1 37 37 LEU H H 37 9.400 9.400 7.630 1.770 19452 6621 1 13 . 1 1 38 38 VAL N N 38 120.100 120.100 122.830 -2.730 19452 6622 1 13 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.944 0.646 19452 6623 1 13 . 1 1 38 38 VAL C C 38 174.000 174.000 175.540 -1.540 19452 6624 1 13 . 1 1 38 38 VAL CA C 38 61.100 61.100 63.399 -2.299 19452 6625 1 13 . 1 1 38 38 VAL CB C 38 33.500 33.500 30.395 3.106 19452 6626 1 13 . 1 1 38 38 VAL H H 38 9.440 9.440 7.410 2.030 19452 6627 1 13 . 1 1 39 39 ASP N N 39 125.600 125.600 126.625 -1.025 19452 6628 1 13 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.727 0.443 19452 6629 1 13 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.196 -2.296 19452 6630 1 13 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.424 -2.624 19452 6631 1 13 . 1 1 39 39 ASP H H 39 9.240 9.240 8.462 0.778 19452 6632 1 13 . 1 1 40 40 PHE N N 40 119.600 119.600 119.669 -0.069 19452 6633 1 13 . 1 1 40 40 PHE H H 40 8.860 8.860 7.823 1.037 19452 6634 1 13 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.818 -0.408 19452 6635 1 13 . 1 1 53 53 PRO CA C 53 65.500 65.500 61.289 4.211 19452 6636 1 13 . 1 1 53 53 PRO CB C 53 30.800 30.800 34.197 -3.397 19452 6637 1 13 . 1 1 54 54 GLN N N 54 115.300 115.300 121.671 -6.371 19452 6638 1 13 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.490 -0.290 19452 6639 1 13 . 1 1 54 54 GLN C C 54 179.400 179.400 174.989 4.411 19452 6640 1 13 . 1 1 54 54 GLN CA C 54 58.000 58.000 54.566 3.434 19452 6641 1 13 . 1 1 54 54 GLN H H 54 7.080 7.080 8.563 -1.483 19452 6642 1 13 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.359 -0.369 19452 6643 1 13 . 1 1 55 55 LEU C C 55 178.700 178.700 177.864 0.836 19452 6644 1 13 . 1 1 55 55 LEU CA C 55 57.300 57.300 56.178 1.121 19452 6645 1 13 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.474 -1.174 19452 6646 1 13 . 1 1 56 56 GLU N N 56 118.900 118.900 116.373 2.527 19452 6647 1 13 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.144 -0.304 19452 6648 1 13 . 1 1 56 56 GLU C C 56 179.100 179.100 177.626 1.474 19452 6649 1 13 . 1 1 56 56 GLU CA C 56 59.500 59.500 58.590 0.910 19452 6650 1 13 . 1 1 56 56 GLU CB C 56 29.000 29.000 29.851 -0.851 19452 6651 1 13 . 1 1 56 56 GLU H H 56 8.150 8.150 8.502 -0.352 19452 6652 1 13 . 1 1 57 57 LYS N N 57 117.000 117.000 118.660 -1.660 19452 6653 1 13 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.247 -0.177 19452 6654 1 13 . 1 1 57 57 LYS C C 57 179.800 179.800 176.569 3.231 19452 6655 1 13 . 1 1 57 57 LYS CA C 57 59.000 59.000 56.855 2.144 19452 6656 1 13 . 1 1 57 57 LYS CB C 57 31.900 31.900 33.399 -1.499 19452 6657 1 13 . 1 1 57 57 LYS H H 57 7.160 7.160 7.502 -0.342 19452 6658 1 13 . 1 1 58 58 LEU N N 58 119.900 119.900 118.720 1.180 19452 6659 1 13 . 1 1 58 58 LEU HA H 58 4.200 4.200 3.977 0.223 19452 6660 1 13 . 1 1 58 58 LEU C C 58 178.700 178.700 177.207 1.493 19452 6661 1 13 . 1 1 58 58 LEU CA C 58 57.700 57.700 55.461 2.239 19452 6662 1 13 . 1 1 58 58 LEU CB C 58 41.700 41.700 40.644 1.056 19452 6663 1 13 . 1 1 58 58 LEU H H 58 7.650 7.650 7.920 -0.270 19452 6664 1 13 . 1 1 59 59 ALA N N 59 120.700 120.700 122.987 -2.287 19452 6665 1 13 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.142 -0.282 19452 6666 1 13 . 1 1 59 59 ALA C C 59 180.000 180.000 177.172 2.828 19452 6667 1 13 . 1 1 59 59 ALA CA C 59 54.600 54.600 54.620 -0.020 19452 6668 1 13 . 1 1 59 59 ALA CB C 59 18.000 18.000 19.822 -1.822 19452 6669 1 13 . 1 1 59 59 ALA H H 59 8.440 8.440 8.050 0.390 19452 6670 1 13 . 1 1 60 60 GLN N N 60 113.100 113.100 109.896 3.204 19452 6671 1 13 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.601 -0.541 19452 6672 1 13 . 1 1 60 60 GLN C C 60 177.800 177.800 173.901 3.899 19452 6673 1 13 . 1 1 60 60 GLN CA C 60 57.500 57.500 53.740 3.760 19452 6674 1 13 . 1 1 60 60 GLN CB C 60 28.800 28.800 26.239 2.561 19452 6675 1 13 . 1 1 60 60 GLN H H 60 7.340 7.340 8.082 -0.742 19452 6676 1 13 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.368 -0.338 19452 6677 1 13 . 1 1 61 61 GLN C C 61 177.300 177.300 176.486 0.814 19452 6678 1 13 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.084 0.716 19452 6679 1 13 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.244 -0.244 19452 6680 1 13 . 1 1 62 62 TYR N N 62 117.300 117.300 119.032 -1.732 19452 6681 1 13 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.273 0.707 19452 6682 1 13 . 1 1 62 62 TYR C C 62 175.800 175.800 178.281 -2.481 19452 6683 1 13 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.321 -4.221 19452 6684 1 13 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.511 0.389 19452 6685 1 13 . 1 1 62 62 TYR H H 62 7.950 7.950 8.516 -0.566 19452 6686 1 13 . 1 1 63 63 THR N N 63 111.900 111.900 112.475 -0.575 19452 6687 1 13 . 1 1 63 63 THR HA H 63 4.190 4.190 3.970 0.220 19452 6688 1 13 . 1 1 63 63 THR C C 63 175.700 175.700 176.799 -1.099 19452 6689 1 13 . 1 1 63 63 THR CA C 63 64.600 64.600 65.498 -0.898 19452 6690 1 13 . 1 1 63 63 THR CB C 63 69.200 69.200 68.462 0.738 19452 6691 1 13 . 1 1 63 63 THR H H 63 7.110 7.110 7.626 -0.516 19452 6692 1 13 . 1 1 64 64 GLU N N 64 117.500 117.500 119.252 -1.752 19452 6693 1 13 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.999 0.301 19452 6694 1 13 . 1 1 64 64 GLU C C 64 177.400 177.400 178.988 -1.588 19452 6695 1 13 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.712 -1.712 19452 6696 1 13 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.265 0.835 19452 6697 1 13 . 1 1 64 64 GLU H H 64 8.610 8.610 7.840 0.770 19452 6698 1 13 . 1 1 65 65 ASN N N 65 113.300 113.300 118.484 -5.184 19452 6699 1 13 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.411 0.579 19452 6700 1 13 . 1 1 65 65 ASN C C 65 173.600 173.600 178.133 -4.533 19452 6701 1 13 . 1 1 65 65 ASN CA C 65 54.000 54.000 56.434 -2.434 19452 6702 1 13 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.201 2.899 19452 6703 1 13 . 1 1 65 65 ASN H H 65 8.050 8.050 7.996 0.054 19452 6704 1 13 . 1 1 66 66 VAL N N 66 119.200 119.200 117.609 1.591 19452 6705 1 13 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.849 1.691 19452 6706 1 13 . 1 1 66 66 VAL C C 66 174.900 174.900 178.017 -3.117 19452 6707 1 13 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.453 -4.553 19452 6708 1 13 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.777 4.923 19452 6709 1 13 . 1 1 66 66 VAL H H 66 7.890 7.890 8.049 -0.159 19452 6710 1 13 . 1 1 67 67 LYS N N 67 127.600 127.600 119.482 8.118 19452 6711 1 13 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.891 0.669 19452 6712 1 13 . 1 1 67 67 LYS C C 67 173.600 173.600 178.555 -4.955 19452 6713 1 13 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.445 -5.345 19452 6714 1 13 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.751 4.449 19452 6715 1 13 . 1 1 67 67 LYS H H 67 8.700 8.700 8.392 0.308 19452 6716 1 13 . 1 1 68 68 ILE N N 68 123.200 123.200 116.112 7.088 19452 6717 1 13 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.910 0.670 19452 6718 1 13 . 1 1 68 68 ILE C C 68 173.900 173.900 179.024 -5.124 19452 6719 1 13 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.717 -3.217 19452 6720 1 13 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.907 0.593 19452 6721 1 13 . 1 1 68 68 ILE H H 68 8.770 8.770 7.585 1.185 19452 6722 1 13 . 1 1 69 69 TYR N N 69 124.400 124.400 118.875 5.525 19452 6723 1 13 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.262 1.398 19452 6724 1 13 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.071 -4.471 19452 6725 1 13 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.875 4.525 19452 6726 1 13 . 1 1 69 69 TYR H H 69 9.060 9.060 7.619 1.441 19452 6727 1 13 . 1 1 73 73 ILE C C 73 177.400 177.400 173.753 3.647 19452 6728 1 13 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.191 1.409 19452 6729 1 13 . 1 1 74 74 GLU N N 74 121.800 121.800 119.047 2.753 19452 6730 1 13 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.684 -0.404 19452 6731 1 13 . 1 1 74 74 GLU C C 74 177.800 177.800 174.696 3.104 19452 6732 1 13 . 1 1 74 74 GLU CA C 74 58.900 58.900 54.956 3.944 19452 6733 1 13 . 1 1 74 74 GLU CB C 74 29.700 29.700 32.881 -3.181 19452 6734 1 13 . 1 1 74 74 GLU H H 74 8.560 8.560 7.855 0.705 19452 6735 1 13 . 1 1 75 75 ASP N N 75 114.200 114.200 123.860 -9.660 19452 6736 1 13 . 1 1 75 75 ASP C C 75 175.800 175.800 173.967 1.833 19452 6737 1 13 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.471 2.530 19452 6738 1 13 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.624 -2.825 19452 6739 1 13 . 1 1 75 75 ASP H H 75 6.840 6.840 8.956 -2.116 19452 6740 1 13 . 1 1 76 76 ASN N N 76 118.400 118.400 118.288 0.112 19452 6741 1 13 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.389 -0.369 19452 6742 1 13 . 1 1 76 76 ASN C C 76 174.000 174.000 173.429 0.571 19452 6743 1 13 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.258 1.442 19452 6744 1 13 . 1 1 76 76 ASN CB C 76 41.600 41.600 41.571 0.029 19452 6745 1 13 . 1 1 76 76 ASN H H 76 7.600 7.600 8.378 -0.778 19452 6746 1 13 . 1 1 77 77 GLN N N 77 122.000 122.000 125.025 -3.025 19452 6747 1 13 . 1 1 77 77 GLN HA H 77 4.740 4.740 5.113 -0.373 19452 6748 1 13 . 1 1 77 77 GLN C C 77 177.800 177.800 174.285 3.515 19452 6749 1 13 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.341 3.059 19452 6750 1 13 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.413 -2.813 19452 6751 1 13 . 1 1 77 77 GLN H H 77 9.040 9.040 8.896 0.144 19452 6752 1 13 . 1 1 78 78 ASP N N 78 125.900 125.900 116.559 9.341 19452 6753 1 13 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.732 -1.322 19452 6754 1 13 . 1 1 78 78 ASP C C 78 178.900 178.900 174.386 4.514 19452 6755 1 13 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.979 6.721 19452 6756 1 13 . 1 1 78 78 ASP CB C 78 40.000 40.000 44.871 -4.871 19452 6757 1 13 . 1 1 78 78 ASP H H 78 10.210 10.210 8.823 1.387 19452 6758 1 13 . 1 1 79 79 VAL N N 79 123.800 123.800 117.018 6.782 19452 6759 1 13 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.813 -1.323 19452 6760 1 13 . 1 1 79 79 VAL C C 79 178.400 178.400 175.303 3.097 19452 6761 1 13 . 1 1 79 79 VAL CA C 79 66.500 66.500 60.606 5.894 19452 6762 1 13 . 1 1 79 79 VAL CB C 79 30.500 30.500 35.321 -4.821 19452 6763 1 13 . 1 1 79 79 VAL H H 79 8.130 8.130 8.493 -0.363 19452 6764 1 13 . 1 1 80 80 ALA N N 80 121.800 121.800 126.981 -5.181 19452 6765 1 13 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.461 -0.951 19452 6766 1 13 . 1 1 80 80 ALA C C 80 179.600 179.600 175.599 4.001 19452 6767 1 13 . 1 1 80 80 ALA CA C 80 54.900 54.900 51.904 2.996 19452 6768 1 13 . 1 1 80 80 ALA CB C 80 17.300 17.300 18.871 -1.571 19452 6769 1 13 . 1 1 80 80 ALA H H 80 9.250 9.250 8.554 0.696 19452 6770 1 13 . 1 1 81 81 THR N N 81 113.200 113.200 113.109 0.091 19452 6771 1 13 . 1 1 81 81 THR HA H 81 3.960 3.960 4.566 -0.606 19452 6772 1 13 . 1 1 81 81 THR C C 81 177.700 177.700 174.091 3.609 19452 6773 1 13 . 1 1 81 81 THR CA C 81 66.400 66.400 60.732 5.668 19452 6774 1 13 . 1 1 81 81 THR CB C 81 68.500 68.500 73.252 -4.752 19452 6775 1 13 . 1 1 81 81 THR H H 81 7.990 7.990 7.875 0.115 19452 6776 1 13 . 1 1 82 82 GLN N N 82 123.800 123.800 122.334 1.466 19452 6777 1 13 . 1 1 82 82 GLN HA H 82 3.850 3.850 3.695 0.155 19452 6778 1 13 . 1 1 82 82 GLN C C 82 177.900 177.900 175.278 2.622 19452 6779 1 13 . 1 1 82 82 GLN CA C 82 58.900 58.900 57.983 0.918 19452 6780 1 13 . 1 1 82 82 GLN CB C 82 28.000 28.000 28.934 -0.934 19452 6781 1 13 . 1 1 82 82 GLN H H 82 8.170 8.170 8.618 -0.448 19452 6782 1 13 . 1 1 83 83 TYR N N 83 112.900 112.900 114.407 -1.507 19452 6783 1 13 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.677 -0.247 19452 6784 1 13 . 1 1 83 83 TYR C C 83 175.300 175.300 175.775 -0.475 19452 6785 1 13 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.690 0.310 19452 6786 1 13 . 1 1 83 83 TYR CB C 83 38.500 38.500 38.473 0.027 19452 6787 1 13 . 1 1 83 83 TYR H H 83 7.780 7.780 7.967 -0.187 19452 6788 1 13 . 1 1 84 84 GLY N N 84 110.200 110.200 109.743 0.457 19452 6789 1 13 . 1 1 84 84 GLY C C 84 175.300 175.300 173.186 2.114 19452 6790 1 13 . 1 1 84 84 GLY CA C 84 47.100 47.100 45.745 1.355 19452 6791 1 13 . 1 1 84 84 GLY H H 84 7.670 7.670 8.357 -0.687 19452 6792 1 13 . 1 1 85 85 VAL N N 85 121.300 121.300 117.975 3.325 19452 6793 1 13 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.450 -0.580 19452 6794 1 13 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.773 1.226 19452 6795 1 13 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.812 -3.312 19452 6796 1 13 . 1 1 85 85 VAL H H 85 8.500 8.500 7.849 0.651 19452 6797 1 13 . 1 1 90 90 THR HA H 90 5.170 5.170 4.063 1.107 19452 6798 1 13 . 1 1 90 90 THR C C 90 172.300 172.300 176.439 -4.139 19452 6799 1 13 . 1 1 90 90 THR CA C 90 63.500 63.500 64.248 -0.748 19452 6800 1 13 . 1 1 90 90 THR CB C 90 73.300 73.300 68.442 4.858 19452 6801 1 13 . 1 1 91 91 ILE N N 91 126.600 126.600 117.008 9.592 19452 6802 1 13 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.177 1.413 19452 6803 1 13 . 1 1 91 91 ILE C C 91 175.900 175.900 176.724 -0.824 19452 6804 1 13 . 1 1 91 91 ILE CA C 91 58.400 58.400 60.991 -2.591 19452 6805 1 13 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.103 1.897 19452 6806 1 13 . 1 1 91 91 ILE H H 91 9.340 9.340 7.577 1.763 19452 6807 1 13 . 1 1 92 92 LEU N N 92 125.700 125.700 119.801 5.899 19452 6808 1 13 . 1 1 92 92 LEU HA H 92 5.120 5.120 3.967 1.153 19452 6809 1 13 . 1 1 92 92 LEU C C 92 176.100 176.100 176.139 -0.039 19452 6810 1 13 . 1 1 92 92 LEU CA C 92 53.100 53.100 55.080 -1.980 19452 6811 1 13 . 1 1 92 92 LEU H H 92 9.120 9.120 7.781 1.339 19452 6812 1 13 . 1 1 93 93 MET N N 93 117.700 117.700 118.297 -0.597 19452 6813 1 13 . 1 1 93 93 MET HA H 93 5.860 5.860 4.770 1.090 19452 6814 1 13 . 1 1 93 93 MET C C 93 174.400 174.400 176.152 -1.752 19452 6815 1 13 . 1 1 93 93 MET CA C 93 54.400 54.400 53.393 1.007 19452 6816 1 13 . 1 1 93 93 MET CB C 93 34.100 34.100 31.762 2.338 19452 6817 1 13 . 1 1 93 93 MET H H 93 8.080 8.080 8.186 -0.106 19452 6818 1 13 . 1 1 94 94 PHE N N 94 123.300 123.300 124.198 -0.898 19452 6819 1 13 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.253 1.317 19452 6820 1 13 . 1 1 94 94 PHE C C 94 174.800 174.800 176.369 -1.569 19452 6821 1 13 . 1 1 94 94 PHE CA C 94 55.900 55.900 59.194 -3.295 19452 6822 1 13 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.206 5.594 19452 6823 1 13 . 1 1 94 94 PHE H H 94 9.990 9.990 8.126 1.864 19452 6824 1 13 . 1 1 95 95 LYS N N 95 117.100 117.100 122.678 -5.578 19452 6825 1 13 . 1 1 95 95 LYS C C 95 176.500 176.500 174.741 1.759 19452 6826 1 13 . 1 1 95 95 LYS CA C 95 57.500 57.500 55.457 2.043 19452 6827 1 13 . 1 1 95 95 LYS CB C 95 37.200 37.200 31.561 5.639 19452 6828 1 13 . 1 1 95 95 LYS H H 95 8.630 8.630 8.334 0.296 19452 6829 1 13 . 1 1 96 96 ASN N N 96 130.400 130.400 119.354 11.046 19452 6830 1 13 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.782 0.038 19452 6831 1 13 . 1 1 96 96 ASN C C 96 175.900 175.900 172.184 3.716 19452 6832 1 13 . 1 1 96 96 ASN CA C 96 54.500 54.500 50.577 3.923 19452 6833 1 13 . 1 1 96 96 ASN CB C 96 36.900 36.900 42.561 -5.661 19452 6834 1 13 . 1 1 96 96 ASN H H 96 10.190 10.190 7.439 2.751 19452 6835 1 13 . 1 1 97 97 GLY C C 97 173.700 173.700 172.841 0.859 19452 6836 1 13 . 1 1 97 97 GLY CA C 97 46.000 46.000 43.940 2.060 19452 6837 1 13 . 1 1 98 98 LYS N N 98 120.300 120.300 121.647 -1.347 19452 6838 1 13 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.412 0.328 19452 6839 1 13 . 1 1 98 98 LYS C C 98 175.500 175.500 174.332 1.168 19452 6840 1 13 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.687 -0.987 19452 6841 1 13 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.030 -1.830 19452 6842 1 13 . 1 1 98 98 LYS H H 98 7.840 7.840 7.521 0.319 19452 6843 1 13 . 1 1 99 99 LYS N N 99 124.900 124.900 120.758 4.142 19452 6844 1 13 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.272 -1.662 19452 6845 1 13 . 1 1 99 99 LYS C C 99 176.300 176.300 174.902 1.398 19452 6846 1 13 . 1 1 99 99 LYS CA C 99 56.600 56.600 54.575 2.025 19452 6847 1 13 . 1 1 99 99 LYS CB C 99 31.500 31.500 36.075 -4.575 19452 6848 1 13 . 1 1 99 99 LYS H H 99 8.880 8.880 8.661 0.219 19452 6849 1 13 . 1 1 100 100 LEU N N 100 128.800 128.800 123.287 5.513 19452 6850 1 13 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.564 -0.124 19452 6851 1 13 . 1 1 100 100 LEU C C 100 177.400 177.400 175.461 1.939 19452 6852 1 13 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.881 1.419 19452 6853 1 13 . 1 1 100 100 LEU CB C 100 44.100 44.100 45.112 -1.012 19452 6854 1 13 . 1 1 100 100 LEU H H 100 9.320 9.320 8.601 0.719 19452 6855 1 13 . 1 1 101 101 SER N N 101 109.000 109.000 116.947 -7.947 19452 6856 1 13 . 1 1 101 101 SER HA H 101 4.550 4.550 4.679 -0.129 19452 6857 1 13 . 1 1 101 101 SER C C 101 172.400 172.400 173.150 -0.750 19452 6858 1 13 . 1 1 101 101 SER CA C 101 57.200 57.200 58.107 -0.907 19452 6859 1 13 . 1 1 101 101 SER CB C 101 64.400 64.400 63.149 1.251 19452 6860 1 13 . 1 1 101 101 SER H H 101 7.260 7.260 8.665 -1.405 19452 6861 1 13 . 1 1 102 102 GLN N N 102 119.900 119.900 124.272 -4.372 19452 6862 1 13 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.431 -0.211 19452 6863 1 13 . 1 1 102 102 GLN C C 102 173.800 173.800 174.935 -1.135 19452 6864 1 13 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.646 0.754 19452 6865 1 13 . 1 1 102 102 GLN CB C 102 31.800 31.800 32.612 -0.812 19452 6866 1 13 . 1 1 102 102 GLN H H 102 8.230 8.230 8.808 -0.578 19452 6867 1 13 . 1 1 103 103 VAL N N 103 123.800 123.800 120.630 3.170 19452 6868 1 13 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.323 0.007 19452 6869 1 13 . 1 1 103 103 VAL C C 103 174.600 174.600 175.355 -0.755 19452 6870 1 13 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.327 -0.627 19452 6871 1 13 . 1 1 103 103 VAL CB C 103 34.600 34.600 35.145 -0.545 19452 6872 1 13 . 1 1 103 103 VAL H H 103 9.310 9.310 8.994 0.316 19452 6873 1 13 . 1 1 104 104 ILE N N 104 129.400 129.400 127.253 2.147 19452 6874 1 13 . 1 1 104 104 ILE C C 104 176.400 176.400 175.981 0.419 19452 6875 1 13 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.492 -0.992 19452 6876 1 13 . 1 1 104 104 ILE CB C 104 38.700 38.700 36.912 1.788 19452 6877 1 13 . 1 1 104 104 ILE H H 104 8.970 8.970 8.923 0.047 19452 6878 1 13 . 1 1 105 105 GLY N N 105 115.400 115.400 103.106 12.294 19452 6879 1 13 . 1 1 105 105 GLY C C 105 172.700 172.700 173.170 -0.470 19452 6880 1 13 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.526 -1.826 19452 6881 1 13 . 1 1 105 105 GLY H H 105 8.500 8.500 8.432 0.068 19452 6882 1 13 . 1 1 106 106 ALA N N 106 120.200 120.200 121.590 -1.390 19452 6883 1 13 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.717 -0.337 19452 6884 1 13 . 1 1 106 106 ALA C C 106 176.300 176.300 175.570 0.730 19452 6885 1 13 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.156 0.344 19452 6886 1 13 . 1 1 106 106 ALA CB C 106 18.400 18.400 21.988 -3.588 19452 6887 1 13 . 1 1 106 106 ALA H H 106 8.360 8.360 7.851 0.509 19452 6888 1 13 . 1 1 107 107 ASP N N 107 121.100 121.100 123.858 -2.758 19452 6889 1 13 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.439 -0.669 19452 6890 1 13 . 1 1 107 107 ASP C C 107 176.600 176.600 175.408 1.192 19452 6891 1 13 . 1 1 107 107 ASP CA C 107 52.600 52.600 53.881 -1.281 19452 6892 1 13 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.742 -1.142 19452 6893 1 13 . 1 1 107 107 ASP H H 107 7.610 7.610 8.695 -1.085 19452 6894 1 13 . 1 1 108 108 ILE N N 108 125.700 125.700 121.757 3.943 19452 6895 1 13 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.393 -0.383 19452 6896 1 13 . 1 1 108 108 ILE C C 108 176.400 176.400 175.951 0.449 19452 6897 1 13 . 1 1 108 108 ILE CA C 108 60.700 60.700 60.456 0.244 19452 6898 1 13 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.003 0.297 19452 6899 1 13 . 1 1 108 108 ILE H H 108 8.550 8.550 8.615 -0.065 19452 6900 1 13 . 1 1 109 109 SER N N 109 117.700 117.700 111.744 5.956 19452 6901 1 13 . 1 1 109 109 SER HA H 109 4.180 4.180 4.548 -0.368 19452 6902 1 13 . 1 1 109 109 SER C C 109 177.300 177.300 171.997 5.303 19452 6903 1 13 . 1 1 109 109 SER CA C 109 61.700 61.700 58.082 3.618 19452 6904 1 13 . 1 1 109 109 SER CB C 109 62.100 62.100 65.303 -3.203 19452 6905 1 13 . 1 1 109 109 SER H H 109 8.330 8.330 7.376 0.954 19452 6906 1 13 . 1 1 110 110 LYS N N 110 123.200 123.200 120.460 2.740 19452 6907 1 13 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.638 -0.418 19452 6908 1 13 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.109 2.991 19452 6909 1 13 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.633 -2.333 19452 6910 1 13 . 1 1 110 110 LYS H H 110 7.480 7.480 8.454 -0.974 19452 6911 1 13 . 1 1 111 111 ILE N N 111 119.300 119.300 125.714 -6.414 19452 6912 1 13 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.237 -0.207 19452 6913 1 13 . 1 1 111 111 ILE C C 111 177.200 177.200 174.706 2.494 19452 6914 1 13 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.890 0.210 19452 6915 1 13 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.647 -1.847 19452 6916 1 13 . 1 1 111 111 ILE H H 111 7.640 7.640 8.187 -0.547 19452 6917 1 13 . 1 1 112 112 ILE N N 112 118.700 118.700 126.345 -7.645 19452 6918 1 13 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.282 -0.852 19452 6919 1 13 . 1 1 112 112 ILE C C 112 177.700 177.700 175.844 1.856 19452 6920 1 13 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.599 5.501 19452 6921 1 13 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.590 -0.090 19452 6922 1 13 . 1 1 112 112 ILE H H 112 8.410 8.410 8.372 0.038 19452 6923 1 13 . 1 1 113 113 SER N N 113 113.800 113.800 120.788 -6.988 19452 6924 1 13 . 1 1 113 113 SER HA H 113 4.200 4.200 4.285 -0.085 19452 6925 1 13 . 1 1 113 113 SER C C 113 177.200 177.200 173.061 4.139 19452 6926 1 13 . 1 1 113 113 SER CA C 113 62.000 62.000 57.138 4.862 19452 6927 1 13 . 1 1 113 113 SER H H 113 7.920 7.920 8.171 -0.251 19452 6928 1 13 . 1 1 114 114 GLU N N 114 119.400 119.400 120.856 -1.456 19452 6929 1 13 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.552 -0.402 19452 6930 1 13 . 1 1 114 114 GLU C C 114 179.900 179.900 175.020 4.880 19452 6931 1 13 . 1 1 114 114 GLU CA C 114 58.500 58.500 55.904 2.596 19452 6932 1 13 . 1 1 114 114 GLU CB C 114 27.300 27.300 29.380 -2.080 19452 6933 1 13 . 1 1 114 114 GLU H H 114 8.010 8.010 8.418 -0.408 19452 6934 1 13 . 1 1 115 115 ILE N N 115 121.700 121.700 123.166 -1.466 19452 6935 1 13 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.435 -1.055 19452 6936 1 13 . 1 1 115 115 ILE C C 115 178.100 178.100 175.666 2.434 19452 6937 1 13 . 1 1 115 115 ILE CA C 115 66.000 66.000 59.947 6.053 19452 6938 1 13 . 1 1 115 115 ILE CB C 115 37.700 37.700 38.909 -1.209 19452 6939 1 13 . 1 1 115 115 ILE H H 115 8.370 8.370 7.893 0.477 19452 6940 1 13 . 1 1 116 116 ASN N N 116 116.100 116.100 123.914 -7.814 19452 6941 1 13 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.368 -0.038 19452 6942 1 13 . 1 1 116 116 ASN C C 116 177.900 177.900 176.217 1.683 19452 6943 1 13 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.029 0.872 19452 6944 1 13 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.965 -1.365 19452 6945 1 13 . 1 1 116 116 ASN H H 116 8.230 8.230 8.758 -0.528 19452 6946 1 13 . 1 1 117 117 ASN N N 117 115.400 115.400 116.895 -1.495 19452 6947 1 13 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.439 0.191 19452 6948 1 13 . 1 1 117 117 ASN C C 117 176.200 176.200 177.430 -1.230 19452 6949 1 13 . 1 1 117 117 ASN CA C 117 54.300 54.300 56.407 -2.107 19452 6950 1 13 . 1 1 117 117 ASN CB C 117 39.100 39.100 37.921 1.179 19452 6951 1 13 . 1 1 117 117 ASN H H 117 7.930 7.930 8.263 -0.333 19452 6952 1 13 . 1 1 118 118 ASN N N 118 115.400 115.400 121.227 -5.827 19452 6953 1 13 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.657 0.353 19452 6954 1 13 . 1 1 118 118 ASN C C 118 174.400 174.400 177.247 -2.847 19452 6955 1 13 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.238 -1.038 19452 6956 1 13 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.576 3.624 19452 6957 1 13 . 1 1 118 118 ASN H H 118 7.710 7.710 7.995 -0.285 19452 6958 1 13 . 1 1 119 119 ILE N N 119 117.300 117.300 118.395 -1.095 19452 6959 1 13 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.731 0.589 19452 6960 1 13 . 1 1 119 119 ILE C C 119 174.900 174.900 177.993 -3.093 19452 6961 1 13 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.536 -2.336 19452 6962 1 13 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.477 1.723 19452 6963 1 13 . 1 1 119 119 ILE H H 119 7.520 7.520 8.067 -0.547 19452 6964 1 13 . 1 1 120 120 ASN N N 120 124.900 124.900 114.228 10.672 19452 6965 1 13 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.522 -0.012 19452 6966 1 13 . 1 1 120 120 ASN CA C 120 55.000 55.000 56.133 -1.133 19452 6967 1 13 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.840 2.360 19452 6968 1 13 . 1 1 120 120 ASN H H 120 7.960 7.960 8.127 -0.167 19452 6969 1 14 . 1 1 2 2 GLY N N 2 109.900 109.900 110.514 -0.614 19452 6970 1 14 . 1 1 2 2 GLY C C 2 174.400 174.400 175.003 -0.603 19452 6971 1 14 . 1 1 2 2 GLY CA C 2 45.600 45.600 45.939 -0.339 19452 6972 1 14 . 1 1 2 2 GLY H H 2 8.480 8.480 8.407 0.073 19452 6973 1 14 . 1 1 3 3 THR N N 3 113.700 113.700 111.015 2.685 19452 6974 1 14 . 1 1 3 3 THR C C 3 174.900 174.900 173.148 1.752 19452 6975 1 14 . 1 1 3 3 THR CA C 3 62.400 62.400 61.680 0.720 19452 6976 1 14 . 1 1 3 3 THR CB C 3 70.000 70.000 70.819 -0.819 19452 6977 1 14 . 1 1 3 3 THR H H 3 8.090 8.090 8.065 0.025 19452 6978 1 14 . 1 1 4 4 LEU N N 4 124.100 124.100 121.140 2.960 19452 6979 1 14 . 1 1 4 4 LEU C C 4 177.600 177.600 175.711 1.889 19452 6980 1 14 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.801 0.899 19452 6981 1 14 . 1 1 4 4 LEU CB C 4 42.300 42.300 43.366 -1.066 19452 6982 1 14 . 1 1 4 4 LEU H H 4 8.400 8.400 8.504 -0.104 19452 6983 1 14 . 1 1 5 5 GLU N N 5 121.600 121.600 123.568 -1.968 19452 6984 1 14 . 1 1 5 5 GLU C C 5 176.500 176.500 175.235 1.265 19452 6985 1 14 . 1 1 5 5 GLU CA C 5 57.000 57.000 55.358 1.642 19452 6986 1 14 . 1 1 5 5 GLU CB C 5 29.900 29.900 30.174 -0.274 19452 6987 1 14 . 1 1 5 5 GLU H H 5 8.430 8.430 8.684 -0.254 19452 6988 1 14 . 1 1 6 6 ALA N N 6 124.500 124.500 122.668 1.832 19452 6989 1 14 . 1 1 6 6 ALA C C 6 177.900 177.900 176.373 1.527 19452 6990 1 14 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.559 1.341 19452 6991 1 14 . 1 1 6 6 ALA CB C 6 19.200 19.200 19.793 -0.593 19452 6992 1 14 . 1 1 6 6 ALA H H 6 8.330 8.330 8.433 -0.103 19452 6993 1 14 . 1 1 7 7 GLN N N 7 119.200 119.200 118.492 0.708 19452 6994 1 14 . 1 1 7 7 GLN C C 7 176.400 176.400 174.171 2.229 19452 6995 1 14 . 1 1 7 7 GLN CA C 7 56.000 56.000 54.844 1.156 19452 6996 1 14 . 1 1 7 7 GLN CB C 7 29.200 29.200 31.212 -2.013 19452 6997 1 14 . 1 1 7 7 GLN H H 7 8.400 8.400 7.985 0.415 19452 6998 1 14 . 1 1 8 8 THR N N 8 115.100 115.100 116.305 -1.205 19452 6999 1 14 . 1 1 8 8 THR C C 8 174.500 174.500 174.607 -0.107 19452 7000 1 14 . 1 1 8 8 THR CA C 8 62.300 62.300 61.810 0.490 19452 7001 1 14 . 1 1 8 8 THR CB C 8 70.000 70.000 71.159 -1.159 19452 7002 1 14 . 1 1 8 8 THR H H 8 8.210 8.210 8.550 -0.340 19452 7003 1 14 . 1 1 9 9 GLN N N 9 122.300 122.300 120.616 1.684 19452 7004 1 14 . 1 1 9 9 GLN C C 9 176.100 176.100 176.790 -0.690 19452 7005 1 14 . 1 1 9 9 GLN CA C 9 55.900 55.900 56.682 -0.782 19452 7006 1 14 . 1 1 9 9 GLN CB C 9 29.500 29.500 29.391 0.109 19452 7007 1 14 . 1 1 9 9 GLN H H 9 8.470 8.470 8.475 -0.005 19452 7008 1 14 . 1 1 10 10 GLY N N 10 110.300 110.300 108.191 2.109 19452 7009 1 14 . 1 1 10 10 GLY CA C 10 44.400 44.400 44.899 -0.499 19452 7010 1 14 . 1 1 10 10 GLY H H 10 8.360 8.360 8.575 -0.215 19452 7011 1 14 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.409 0.031 19452 7012 1 14 . 1 1 11 11 PRO C C 11 177.800 177.800 178.217 -0.417 19452 7013 1 14 . 1 1 11 11 PRO CA C 11 63.300 63.300 63.609 -0.309 19452 7014 1 14 . 1 1 11 11 PRO CB C 11 32.000 32.000 31.998 0.002 19452 7015 1 14 . 1 1 12 12 GLY N N 12 109.600 109.600 112.109 -2.509 19452 7016 1 14 . 1 1 12 12 GLY CA C 12 44.900 44.900 44.893 0.007 19452 7017 1 14 . 1 1 12 12 GLY H H 12 8.600 8.600 8.110 0.490 19452 7018 1 14 . 1 1 13 13 SER N N 13 114.700 114.700 119.748 -5.048 19452 7019 1 14 . 1 1 13 13 SER HA H 13 4.510 4.510 4.467 0.043 19452 7020 1 14 . 1 1 13 13 SER C C 13 175.300 175.300 174.210 1.090 19452 7021 1 14 . 1 1 13 13 SER CA C 13 57.800 57.800 57.799 0.001 19452 7022 1 14 . 1 1 13 13 SER CB C 13 62.300 62.300 61.908 0.392 19452 7023 1 14 . 1 1 13 13 SER H H 13 8.130 8.130 8.240 -0.110 19452 7024 1 14 . 1 1 14 14 MET N N 14 124.300 124.300 126.438 -2.138 19452 7025 1 14 . 1 1 14 14 MET HA H 14 4.470 4.470 4.555 -0.085 19452 7026 1 14 . 1 1 14 14 MET CA C 14 55.700 55.700 54.808 0.892 19452 7027 1 14 . 1 1 14 14 MET CB C 14 32.700 32.700 32.015 0.685 19452 7028 1 14 . 1 1 14 14 MET H H 14 9.430 9.430 8.521 0.909 19452 7029 1 14 . 1 1 15 15 ILE N N 15 122.600 122.600 123.651 -1.051 19452 7030 1 14 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.219 -0.209 19452 7031 1 14 . 1 1 15 15 ILE C C 15 175.300 175.300 175.420 -0.120 19452 7032 1 14 . 1 1 15 15 ILE CA C 15 60.700 60.700 61.395 -0.695 19452 7033 1 14 . 1 1 15 15 ILE CB C 15 37.500 37.500 37.361 0.139 19452 7034 1 14 . 1 1 15 15 ILE H H 15 8.520 8.520 8.162 0.358 19452 7035 1 14 . 1 1 16 16 GLU N N 16 129.300 129.300 123.090 6.210 19452 7036 1 14 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.422 -0.052 19452 7037 1 14 . 1 1 16 16 GLU C C 16 175.500 175.500 175.439 0.061 19452 7038 1 14 . 1 1 16 16 GLU CA C 16 56.100 56.100 56.526 -0.426 19452 7039 1 14 . 1 1 16 16 GLU CB C 16 31.400 31.400 30.380 1.020 19452 7040 1 14 . 1 1 16 16 GLU H H 16 8.220 8.220 8.247 -0.027 19452 7041 1 14 . 1 1 17 17 GLN N N 17 124.500 124.500 123.445 1.055 19452 7042 1 14 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.497 0.623 19452 7043 1 14 . 1 1 17 17 GLN C C 17 176.000 176.000 176.454 -0.454 19452 7044 1 14 . 1 1 17 17 GLN CA C 17 55.200 55.200 56.197 -0.997 19452 7045 1 14 . 1 1 17 17 GLN CB C 17 30.400 30.400 29.738 0.662 19452 7046 1 14 . 1 1 17 17 GLN H H 17 8.810 8.810 8.487 0.323 19452 7047 1 14 . 1 1 18 18 ILE N N 18 118.700 118.700 123.046 -4.346 19452 7048 1 14 . 1 1 18 18 ILE C C 18 174.400 174.400 174.166 0.234 19452 7049 1 14 . 1 1 18 18 ILE CA C 18 59.600 59.600 60.520 -0.920 19452 7050 1 14 . 1 1 18 18 ILE H H 18 8.840 8.840 8.052 0.788 19452 7051 1 14 . 1 1 19 19 GLY C C 19 174.800 174.800 174.195 0.605 19452 7052 1 14 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.572 -1.472 19452 7053 1 14 . 1 1 20 20 ASP N N 20 119.100 119.100 117.576 1.524 19452 7054 1 14 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.651 -0.061 19452 7055 1 14 . 1 1 20 20 ASP C C 20 179.900 179.900 175.160 4.740 19452 7056 1 14 . 1 1 20 20 ASP CA C 20 58.000 58.000 54.011 3.989 19452 7057 1 14 . 1 1 20 20 ASP H H 20 8.090 8.090 8.286 -0.196 19452 7058 1 14 . 1 1 21 21 SER N N 21 112.000 112.000 117.730 -5.730 19452 7059 1 14 . 1 1 21 21 SER HA H 21 4.320 4.320 4.715 -0.395 19452 7060 1 14 . 1 1 21 21 SER CA C 21 60.700 60.700 57.208 3.492 19452 7061 1 14 . 1 1 21 21 SER CB C 21 62.500 62.500 64.854 -2.354 19452 7062 1 14 . 1 1 21 21 SER H H 21 8.750 8.750 7.914 0.836 19452 7063 1 14 . 1 1 22 22 GLU N N 22 119.000 119.000 123.347 -4.347 19452 7064 1 14 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.246 0.334 19452 7065 1 14 . 1 1 22 22 GLU C C 22 176.000 176.000 177.154 -1.154 19452 7066 1 14 . 1 1 22 22 GLU CA C 22 56.200 56.200 57.440 -1.240 19452 7067 1 14 . 1 1 22 22 GLU CB C 22 31.600 31.600 29.439 2.160 19452 7068 1 14 . 1 1 22 22 GLU H H 22 7.660 7.660 8.766 -1.106 19452 7069 1 14 . 1 1 23 23 PHE N N 23 120.900 120.900 118.874 2.026 19452 7070 1 14 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.414 -0.844 19452 7071 1 14 . 1 1 23 23 PHE C C 23 176.500 176.500 175.531 0.969 19452 7072 1 14 . 1 1 23 23 PHE CA C 23 63.100 63.100 57.968 5.132 19452 7073 1 14 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.181 1.519 19452 7074 1 14 . 1 1 23 23 PHE H H 23 7.490 7.490 7.812 -0.322 19452 7075 1 14 . 1 1 24 24 ASP N N 24 118.500 118.500 126.826 -8.326 19452 7076 1 14 . 1 1 24 24 ASP HA H 24 4.630 4.630 5.077 -0.447 19452 7077 1 14 . 1 1 24 24 ASP C C 24 178.400 178.400 174.998 3.402 19452 7078 1 14 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.518 4.182 19452 7079 1 14 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.893 -3.693 19452 7080 1 14 . 1 1 24 24 ASP H H 24 8.900 8.900 8.991 -0.091 19452 7081 1 14 . 1 1 25 25 ASN N N 25 117.200 117.200 119.589 -2.389 19452 7082 1 14 . 1 1 25 25 ASN HA H 25 4.200 4.200 5.326 -1.126 19452 7083 1 14 . 1 1 25 25 ASN C C 25 176.400 176.400 175.432 0.968 19452 7084 1 14 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.694 3.306 19452 7085 1 14 . 1 1 25 25 ASN CB C 25 39.000 39.000 39.382 -0.382 19452 7086 1 14 . 1 1 26 26 LYS N N 26 112.800 112.800 118.029 -5.229 19452 7087 1 14 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.654 -0.654 19452 7088 1 14 . 1 1 26 26 LYS C C 26 175.500 175.500 175.158 0.342 19452 7089 1 14 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.422 1.878 19452 7090 1 14 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.458 -2.458 19452 7091 1 14 . 1 1 26 26 LYS H H 26 7.730 7.730 7.850 -0.120 19452 7092 1 14 . 1 1 27 27 VAL N N 27 114.500 114.500 116.427 -1.927 19452 7093 1 14 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.416 -0.376 19452 7094 1 14 . 1 1 27 27 VAL C C 27 177.900 177.900 175.364 2.536 19452 7095 1 14 . 1 1 27 27 VAL CA C 27 63.700 63.700 61.132 2.568 19452 7096 1 14 . 1 1 27 27 VAL H H 27 7.680 7.680 8.049 -0.369 19452 7097 1 14 . 1 1 28 28 THR N N 28 110.000 110.000 114.300 -4.300 19452 7098 1 14 . 1 1 28 28 THR HA H 28 3.710 3.710 4.019 -0.309 19452 7099 1 14 . 1 1 28 28 THR C C 28 175.800 175.800 175.672 0.128 19452 7100 1 14 . 1 1 28 28 THR CA C 28 65.200 65.200 65.340 -0.140 19452 7101 1 14 . 1 1 28 28 THR CB C 28 68.100 68.100 68.629 -0.529 19452 7102 1 14 . 1 1 28 28 THR H H 28 7.010 7.010 8.756 -1.746 19452 7103 1 14 . 1 1 29 29 SER N N 29 113.600 113.600 113.972 -0.372 19452 7104 1 14 . 1 1 29 29 SER HA H 29 4.480 4.480 4.389 0.091 19452 7105 1 14 . 1 1 29 29 SER C C 29 174.200 174.200 175.249 -1.049 19452 7106 1 14 . 1 1 29 29 SER CA C 29 58.500 58.500 60.201 -1.701 19452 7107 1 14 . 1 1 29 29 SER CB C 29 63.300 63.300 63.348 -0.048 19452 7108 1 14 . 1 1 29 29 SER H H 29 8.350 8.350 8.474 -0.124 19452 7109 1 14 . 1 1 30 30 CYS N N 30 120.000 120.000 119.160 0.840 19452 7110 1 14 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.558 -0.438 19452 7111 1 14 . 1 1 30 30 CYS C C 30 174.200 174.200 175.634 -1.434 19452 7112 1 14 . 1 1 30 30 CYS CA C 30 69.700 69.700 58.186 11.514 19452 7113 1 14 . 1 1 30 30 CYS CB C 30 27.800 27.800 27.127 0.673 19452 7114 1 14 . 1 1 30 30 CYS H H 30 6.810 6.810 7.702 -0.892 19452 7115 1 14 . 1 1 31 31 ASN N N 31 124.300 124.300 121.317 2.983 19452 7116 1 14 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.202 0.908 19452 7117 1 14 . 1 1 31 31 ASN C C 31 174.900 174.900 176.023 -1.123 19452 7118 1 14 . 1 1 31 31 ASN CA C 31 52.400 52.400 57.057 -4.657 19452 7119 1 14 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.313 0.187 19452 7120 1 14 . 1 1 31 31 ASN H H 31 8.760 8.760 8.061 0.699 19452 7121 1 14 . 1 1 32 32 ASP N N 32 119.000 119.000 116.764 2.236 19452 7122 1 14 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.760 0.800 19452 7123 1 14 . 1 1 32 32 ASP C C 32 176.600 176.600 178.066 -1.466 19452 7124 1 14 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.521 -3.021 19452 7125 1 14 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.404 2.596 19452 7126 1 14 . 1 1 32 32 ASP H H 32 7.720 7.720 8.642 -0.922 19452 7127 1 14 . 1 1 33 33 ASN N N 33 115.400 115.400 118.095 -2.695 19452 7128 1 14 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.352 -0.182 19452 7129 1 14 . 1 1 33 33 ASN C C 33 173.700 173.700 176.058 -2.358 19452 7130 1 14 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.954 -1.654 19452 7131 1 14 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.706 -0.906 19452 7132 1 14 . 1 1 33 33 ASN H H 33 9.750 9.750 8.217 1.533 19452 7133 1 14 . 1 1 34 34 ILE N N 34 120.700 120.700 114.312 6.388 19452 7134 1 14 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.314 -0.294 19452 7135 1 14 . 1 1 34 34 ILE C C 34 175.500 175.500 177.215 -1.715 19452 7136 1 14 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.231 -2.832 19452 7137 1 14 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.202 -1.702 19452 7138 1 14 . 1 1 34 34 ILE H H 34 7.850 7.850 7.532 0.318 19452 7139 1 14 . 1 1 35 35 LEU N N 35 128.400 128.400 121.255 7.145 19452 7140 1 14 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.206 0.464 19452 7141 1 14 . 1 1 35 35 LEU C C 35 173.700 173.700 177.627 -3.927 19452 7142 1 14 . 1 1 35 35 LEU CA C 35 54.900 54.900 58.026 -3.126 19452 7143 1 14 . 1 1 35 35 LEU CB C 35 42.400 42.400 42.039 0.361 19452 7144 1 14 . 1 1 35 35 LEU H H 35 8.100 8.100 8.069 0.031 19452 7145 1 14 . 1 1 36 36 ILE N N 36 128.800 128.800 119.834 8.966 19452 7146 1 14 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.902 1.148 19452 7147 1 14 . 1 1 36 36 ILE C C 36 175.800 175.800 177.588 -1.788 19452 7148 1 14 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.227 -4.426 19452 7149 1 14 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.338 2.562 19452 7150 1 14 . 1 1 36 36 ILE H H 36 9.320 9.320 7.532 1.788 19452 7151 1 14 . 1 1 37 37 LEU N N 37 129.600 129.600 119.949 9.651 19452 7152 1 14 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.239 1.031 19452 7153 1 14 . 1 1 37 37 LEU C C 37 175.500 175.500 176.766 -1.266 19452 7154 1 14 . 1 1 37 37 LEU CA C 37 54.000 54.000 55.644 -1.644 19452 7155 1 14 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.248 2.552 19452 7156 1 14 . 1 1 37 37 LEU H H 37 9.400 9.400 7.566 1.834 19452 7157 1 14 . 1 1 38 38 VAL N N 38 120.100 120.100 123.958 -3.858 19452 7158 1 14 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.997 0.593 19452 7159 1 14 . 1 1 38 38 VAL C C 38 174.000 174.000 175.307 -1.307 19452 7160 1 14 . 1 1 38 38 VAL CA C 38 61.100 61.100 63.067 -1.967 19452 7161 1 14 . 1 1 38 38 VAL CB C 38 33.500 33.500 29.714 3.786 19452 7162 1 14 . 1 1 38 38 VAL H H 38 9.440 9.440 7.463 1.977 19452 7163 1 14 . 1 1 39 39 ASP N N 39 125.600 125.600 125.505 0.095 19452 7164 1 14 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.717 0.453 19452 7165 1 14 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.535 -2.635 19452 7166 1 14 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.127 -2.327 19452 7167 1 14 . 1 1 39 39 ASP H H 39 9.240 9.240 8.373 0.867 19452 7168 1 14 . 1 1 40 40 PHE N N 40 119.600 119.600 118.995 0.605 19452 7169 1 14 . 1 1 40 40 PHE H H 40 8.860 8.860 7.927 0.933 19452 7170 1 14 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.266 0.144 19452 7171 1 14 . 1 1 53 53 PRO CA C 53 65.500 65.500 64.390 1.110 19452 7172 1 14 . 1 1 53 53 PRO CB C 53 30.800 30.800 32.459 -1.659 19452 7173 1 14 . 1 1 54 54 GLN N N 54 115.300 115.300 119.212 -3.912 19452 7174 1 14 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.585 -0.385 19452 7175 1 14 . 1 1 54 54 GLN C C 54 179.400 179.400 173.695 5.705 19452 7176 1 14 . 1 1 54 54 GLN CA C 54 58.000 58.000 55.776 2.224 19452 7177 1 14 . 1 1 54 54 GLN H H 54 7.080 7.080 8.383 -1.303 19452 7178 1 14 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.562 -0.572 19452 7179 1 14 . 1 1 55 55 LEU C C 55 178.700 178.700 176.061 2.639 19452 7180 1 14 . 1 1 55 55 LEU CA C 55 57.300 57.300 53.951 3.349 19452 7181 1 14 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.847 -1.547 19452 7182 1 14 . 1 1 56 56 GLU N N 56 118.900 118.900 120.937 -2.037 19452 7183 1 14 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.418 -0.578 19452 7184 1 14 . 1 1 56 56 GLU C C 56 179.100 179.100 177.241 1.859 19452 7185 1 14 . 1 1 56 56 GLU CA C 56 59.500 59.500 56.990 2.510 19452 7186 1 14 . 1 1 56 56 GLU CB C 56 29.000 29.000 30.833 -1.833 19452 7187 1 14 . 1 1 56 56 GLU H H 56 8.150 8.150 8.495 -0.345 19452 7188 1 14 . 1 1 57 57 LYS N N 57 117.000 117.000 126.905 -9.905 19452 7189 1 14 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.261 -0.191 19452 7190 1 14 . 1 1 57 57 LYS C C 57 179.800 179.800 175.974 3.826 19452 7191 1 14 . 1 1 57 57 LYS CA C 57 59.000 59.000 57.132 1.868 19452 7192 1 14 . 1 1 57 57 LYS CB C 57 31.900 31.900 33.097 -1.197 19452 7193 1 14 . 1 1 57 57 LYS H H 57 7.160 7.160 8.981 -1.821 19452 7194 1 14 . 1 1 58 58 LEU N N 58 119.900 119.900 119.843 0.057 19452 7195 1 14 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.437 -0.237 19452 7196 1 14 . 1 1 58 58 LEU C C 58 178.700 178.700 175.408 3.292 19452 7197 1 14 . 1 1 58 58 LEU CA C 58 57.700 57.700 54.409 3.291 19452 7198 1 14 . 1 1 58 58 LEU CB C 58 41.700 41.700 43.071 -1.371 19452 7199 1 14 . 1 1 58 58 LEU H H 58 7.650 7.650 8.117 -0.467 19452 7200 1 14 . 1 1 59 59 ALA N N 59 120.700 120.700 126.113 -5.413 19452 7201 1 14 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.734 -0.874 19452 7202 1 14 . 1 1 59 59 ALA C C 59 180.000 180.000 177.352 2.648 19452 7203 1 14 . 1 1 59 59 ALA CA C 59 54.600 54.600 51.683 2.917 19452 7204 1 14 . 1 1 59 59 ALA CB C 59 18.000 18.000 20.293 -2.293 19452 7205 1 14 . 1 1 59 59 ALA H H 59 8.440 8.440 8.209 0.231 19452 7206 1 14 . 1 1 60 60 GLN N N 60 113.100 113.100 119.454 -6.354 19452 7207 1 14 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.731 -0.671 19452 7208 1 14 . 1 1 60 60 GLN C C 60 177.800 177.800 174.550 3.250 19452 7209 1 14 . 1 1 60 60 GLN CA C 60 57.500 57.500 53.609 3.891 19452 7210 1 14 . 1 1 60 60 GLN CB C 60 28.800 28.800 28.485 0.315 19452 7211 1 14 . 1 1 60 60 GLN H H 60 7.340 7.340 8.453 -1.113 19452 7212 1 14 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.310 -0.280 19452 7213 1 14 . 1 1 61 61 GLN C C 61 177.300 177.300 176.879 0.421 19452 7214 1 14 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.087 0.713 19452 7215 1 14 . 1 1 61 61 GLN CB C 61 29.000 29.000 28.870 0.130 19452 7216 1 14 . 1 1 62 62 TYR N N 62 117.300 117.300 118.979 -1.679 19452 7217 1 14 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.316 0.664 19452 7218 1 14 . 1 1 62 62 TYR C C 62 175.800 175.800 178.280 -2.480 19452 7219 1 14 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.765 -4.665 19452 7220 1 14 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.503 0.397 19452 7221 1 14 . 1 1 62 62 TYR H H 62 7.950 7.950 8.777 -0.827 19452 7222 1 14 . 1 1 63 63 THR N N 63 111.900 111.900 112.478 -0.578 19452 7223 1 14 . 1 1 63 63 THR HA H 63 4.190 4.190 4.049 0.141 19452 7224 1 14 . 1 1 63 63 THR C C 63 175.700 175.700 176.939 -1.239 19452 7225 1 14 . 1 1 63 63 THR CA C 63 64.600 64.600 65.629 -1.029 19452 7226 1 14 . 1 1 63 63 THR CB C 63 69.200 69.200 67.954 1.246 19452 7227 1 14 . 1 1 63 63 THR H H 63 7.110 7.110 7.632 -0.522 19452 7228 1 14 . 1 1 64 64 GLU N N 64 117.500 117.500 118.839 -1.339 19452 7229 1 14 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.943 0.356 19452 7230 1 14 . 1 1 64 64 GLU C C 64 177.400 177.400 178.753 -1.353 19452 7231 1 14 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.666 -1.666 19452 7232 1 14 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.205 0.895 19452 7233 1 14 . 1 1 64 64 GLU H H 64 8.610 8.610 7.847 0.763 19452 7234 1 14 . 1 1 65 65 ASN N N 65 113.300 113.300 118.546 -5.246 19452 7235 1 14 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.429 0.561 19452 7236 1 14 . 1 1 65 65 ASN C C 65 173.600 173.600 178.172 -4.572 19452 7237 1 14 . 1 1 65 65 ASN CA C 65 54.000 54.000 55.825 -1.825 19452 7238 1 14 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.229 2.871 19452 7239 1 14 . 1 1 65 65 ASN H H 65 8.050 8.050 8.043 0.007 19452 7240 1 14 . 1 1 66 66 VAL N N 66 119.200 119.200 117.249 1.951 19452 7241 1 14 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.860 1.680 19452 7242 1 14 . 1 1 66 66 VAL C C 66 174.900 174.900 178.098 -3.198 19452 7243 1 14 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.457 -4.557 19452 7244 1 14 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.759 4.941 19452 7245 1 14 . 1 1 66 66 VAL H H 66 7.890 7.890 8.015 -0.125 19452 7246 1 14 . 1 1 67 67 LYS N N 67 127.600 127.600 118.650 8.950 19452 7247 1 14 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.925 0.635 19452 7248 1 14 . 1 1 67 67 LYS C C 67 173.600 173.600 178.257 -4.657 19452 7249 1 14 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.437 -5.337 19452 7250 1 14 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.736 4.464 19452 7251 1 14 . 1 1 67 67 LYS H H 67 8.700 8.700 8.155 0.545 19452 7252 1 14 . 1 1 68 68 ILE N N 68 123.200 123.200 116.072 7.128 19452 7253 1 14 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.885 0.695 19452 7254 1 14 . 1 1 68 68 ILE C C 68 173.900 173.900 178.805 -4.905 19452 7255 1 14 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.480 -2.980 19452 7256 1 14 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.990 0.509 19452 7257 1 14 . 1 1 68 68 ILE H H 68 8.770 8.770 7.469 1.301 19452 7258 1 14 . 1 1 69 69 TYR N N 69 124.400 124.400 118.704 5.696 19452 7259 1 14 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.253 1.407 19452 7260 1 14 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.216 -4.616 19452 7261 1 14 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.909 4.491 19452 7262 1 14 . 1 1 69 69 TYR H H 69 9.060 9.060 7.475 1.585 19452 7263 1 14 . 1 1 73 73 ILE C C 73 177.400 177.400 174.154 3.246 19452 7264 1 14 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.013 1.587 19452 7265 1 14 . 1 1 74 74 GLU N N 74 121.800 121.800 119.731 2.069 19452 7266 1 14 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.645 -0.365 19452 7267 1 14 . 1 1 74 74 GLU C C 74 177.800 177.800 174.440 3.360 19452 7268 1 14 . 1 1 74 74 GLU CA C 74 58.900 58.900 55.263 3.637 19452 7269 1 14 . 1 1 74 74 GLU CB C 74 29.700 29.700 33.262 -3.562 19452 7270 1 14 . 1 1 74 74 GLU H H 74 8.560 8.560 7.885 0.675 19452 7271 1 14 . 1 1 75 75 ASP N N 75 114.200 114.200 124.217 -10.017 19452 7272 1 14 . 1 1 75 75 ASP C C 75 175.800 175.800 174.205 1.595 19452 7273 1 14 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.410 2.590 19452 7274 1 14 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.381 -2.581 19452 7275 1 14 . 1 1 75 75 ASP H H 75 6.840 6.840 8.788 -1.948 19452 7276 1 14 . 1 1 76 76 ASN N N 76 118.400 118.400 117.435 0.965 19452 7277 1 14 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.468 -0.448 19452 7278 1 14 . 1 1 76 76 ASN C C 76 174.000 174.000 173.629 0.371 19452 7279 1 14 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.118 1.581 19452 7280 1 14 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.754 -1.154 19452 7281 1 14 . 1 1 76 76 ASN H H 76 7.600 7.600 8.265 -0.665 19452 7282 1 14 . 1 1 77 77 GLN N N 77 122.000 122.000 122.941 -0.941 19452 7283 1 14 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.937 -0.197 19452 7284 1 14 . 1 1 77 77 GLN C C 77 177.800 177.800 174.133 3.667 19452 7285 1 14 . 1 1 77 77 GLN CA C 77 56.400 56.400 54.203 2.197 19452 7286 1 14 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.626 -3.026 19452 7287 1 14 . 1 1 77 77 GLN H H 77 9.040 9.040 9.094 -0.054 19452 7288 1 14 . 1 1 78 78 ASP N N 78 125.900 125.900 118.636 7.264 19452 7289 1 14 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.609 -1.199 19452 7290 1 14 . 1 1 78 78 ASP C C 78 178.900 178.900 174.481 4.419 19452 7291 1 14 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.799 6.901 19452 7292 1 14 . 1 1 78 78 ASP CB C 78 40.000 40.000 44.596 -4.596 19452 7293 1 14 . 1 1 78 78 ASP H H 78 10.210 10.210 9.226 0.984 19452 7294 1 14 . 1 1 79 79 VAL N N 79 123.800 123.800 117.067 6.733 19452 7295 1 14 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.414 -0.924 19452 7296 1 14 . 1 1 79 79 VAL C C 79 178.400 178.400 174.826 3.574 19452 7297 1 14 . 1 1 79 79 VAL CA C 79 66.500 66.500 60.542 5.958 19452 7298 1 14 . 1 1 79 79 VAL CB C 79 30.500 30.500 34.940 -4.440 19452 7299 1 14 . 1 1 79 79 VAL H H 79 8.130 8.130 8.208 -0.078 19452 7300 1 14 . 1 1 80 80 ALA N N 80 121.800 121.800 123.767 -1.967 19452 7301 1 14 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.184 -0.674 19452 7302 1 14 . 1 1 80 80 ALA C C 80 179.600 179.600 176.866 2.734 19452 7303 1 14 . 1 1 80 80 ALA CA C 80 54.900 54.900 51.998 2.902 19452 7304 1 14 . 1 1 80 80 ALA CB C 80 17.300 17.300 20.467 -3.167 19452 7305 1 14 . 1 1 80 80 ALA H H 80 9.250 9.250 8.522 0.728 19452 7306 1 14 . 1 1 81 81 THR N N 81 113.200 113.200 111.411 1.789 19452 7307 1 14 . 1 1 81 81 THR HA H 81 3.960 3.960 4.491 -0.531 19452 7308 1 14 . 1 1 81 81 THR C C 81 177.700 177.700 173.553 4.147 19452 7309 1 14 . 1 1 81 81 THR CA C 81 66.400 66.400 60.288 6.112 19452 7310 1 14 . 1 1 81 81 THR CB C 81 68.500 68.500 67.694 0.807 19452 7311 1 14 . 1 1 81 81 THR H H 81 7.990 7.990 7.510 0.480 19452 7312 1 14 . 1 1 82 82 GLN N N 82 123.800 123.800 122.763 1.037 19452 7313 1 14 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.141 -0.291 19452 7314 1 14 . 1 1 82 82 GLN C C 82 177.900 177.900 176.515 1.385 19452 7315 1 14 . 1 1 82 82 GLN CA C 82 58.900 58.900 56.587 2.313 19452 7316 1 14 . 1 1 82 82 GLN CB C 82 28.000 28.000 28.398 -0.398 19452 7317 1 14 . 1 1 82 82 GLN H H 82 8.170 8.170 8.167 0.003 19452 7318 1 14 . 1 1 83 83 TYR N N 83 112.900 112.900 119.389 -6.489 19452 7319 1 14 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.403 0.027 19452 7320 1 14 . 1 1 83 83 TYR C C 83 175.300 175.300 175.071 0.229 19452 7321 1 14 . 1 1 83 83 TYR CA C 83 59.000 59.000 59.451 -0.451 19452 7322 1 14 . 1 1 83 83 TYR CB C 83 38.500 38.500 38.463 0.037 19452 7323 1 14 . 1 1 83 83 TYR H H 83 7.780 7.780 8.286 -0.506 19452 7324 1 14 . 1 1 84 84 GLY N N 84 110.200 110.200 106.773 3.427 19452 7325 1 14 . 1 1 84 84 GLY C C 84 175.300 175.300 172.924 2.376 19452 7326 1 14 . 1 1 84 84 GLY CA C 84 47.100 47.100 45.046 2.054 19452 7327 1 14 . 1 1 84 84 GLY H H 84 7.670 7.670 7.501 0.169 19452 7328 1 14 . 1 1 85 85 VAL N N 85 121.300 121.300 121.794 -0.494 19452 7329 1 14 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.450 -0.580 19452 7330 1 14 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.814 1.186 19452 7331 1 14 . 1 1 85 85 VAL CB C 85 30.500 30.500 34.622 -4.122 19452 7332 1 14 . 1 1 85 85 VAL H H 85 8.500 8.500 8.051 0.449 19452 7333 1 14 . 1 1 90 90 THR HA H 90 5.170 5.170 4.003 1.167 19452 7334 1 14 . 1 1 90 90 THR C C 90 172.300 172.300 176.346 -4.046 19452 7335 1 14 . 1 1 90 90 THR CA C 90 63.500 63.500 64.602 -1.102 19452 7336 1 14 . 1 1 90 90 THR CB C 90 73.300 73.300 68.406 4.894 19452 7337 1 14 . 1 1 91 91 ILE N N 91 126.600 126.600 116.756 9.844 19452 7338 1 14 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.143 1.447 19452 7339 1 14 . 1 1 91 91 ILE C C 91 175.900 175.900 176.814 -0.914 19452 7340 1 14 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.151 -2.751 19452 7341 1 14 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.183 1.817 19452 7342 1 14 . 1 1 91 91 ILE H H 91 9.340 9.340 7.634 1.706 19452 7343 1 14 . 1 1 92 92 LEU N N 92 125.700 125.700 117.836 7.864 19452 7344 1 14 . 1 1 92 92 LEU HA H 92 5.120 5.120 3.944 1.176 19452 7345 1 14 . 1 1 92 92 LEU C C 92 176.100 176.100 176.468 -0.368 19452 7346 1 14 . 1 1 92 92 LEU CA C 92 53.100 53.100 55.329 -2.229 19452 7347 1 14 . 1 1 92 92 LEU H H 92 9.120 9.120 7.709 1.411 19452 7348 1 14 . 1 1 93 93 MET N N 93 117.700 117.700 120.457 -2.757 19452 7349 1 14 . 1 1 93 93 MET HA H 93 5.860 5.860 4.466 1.394 19452 7350 1 14 . 1 1 93 93 MET C C 93 174.400 174.400 177.644 -3.244 19452 7351 1 14 . 1 1 93 93 MET CA C 93 54.400 54.400 55.728 -1.328 19452 7352 1 14 . 1 1 93 93 MET CB C 93 34.100 34.100 32.861 1.239 19452 7353 1 14 . 1 1 93 93 MET H H 93 8.080 8.080 8.109 -0.029 19452 7354 1 14 . 1 1 94 94 PHE N N 94 123.300 123.300 119.207 4.093 19452 7355 1 14 . 1 1 94 94 PHE HA H 94 5.570 5.570 3.733 1.837 19452 7356 1 14 . 1 1 94 94 PHE C C 94 174.800 174.800 174.470 0.330 19452 7357 1 14 . 1 1 94 94 PHE CA C 94 55.900 55.900 58.073 -2.173 19452 7358 1 14 . 1 1 94 94 PHE CB C 94 44.800 44.800 38.618 6.182 19452 7359 1 14 . 1 1 94 94 PHE H H 94 9.990 9.990 7.888 2.102 19452 7360 1 14 . 1 1 95 95 LYS N N 95 117.100 117.100 118.904 -1.804 19452 7361 1 14 . 1 1 95 95 LYS C C 95 176.500 176.500 174.453 2.047 19452 7362 1 14 . 1 1 95 95 LYS CA C 95 57.500 57.500 55.770 1.730 19452 7363 1 14 . 1 1 95 95 LYS CB C 95 37.200 37.200 33.794 3.406 19452 7364 1 14 . 1 1 95 95 LYS H H 95 8.630 8.630 7.190 1.440 19452 7365 1 14 . 1 1 96 96 ASN N N 96 130.400 130.400 116.444 13.956 19452 7366 1 14 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.488 0.332 19452 7367 1 14 . 1 1 96 96 ASN C C 96 175.900 175.900 173.600 2.300 19452 7368 1 14 . 1 1 96 96 ASN CA C 96 54.500 54.500 52.803 1.698 19452 7369 1 14 . 1 1 96 96 ASN CB C 96 36.900 36.900 38.759 -1.859 19452 7370 1 14 . 1 1 96 96 ASN H H 96 10.190 10.190 8.435 1.755 19452 7371 1 14 . 1 1 97 97 GLY C C 97 173.700 173.700 174.041 -0.341 19452 7372 1 14 . 1 1 97 97 GLY CA C 97 46.000 46.000 44.793 1.207 19452 7373 1 14 . 1 1 98 98 LYS N N 98 120.300 120.300 124.100 -3.800 19452 7374 1 14 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.523 0.217 19452 7375 1 14 . 1 1 98 98 LYS C C 98 175.500 175.500 175.952 -0.452 19452 7376 1 14 . 1 1 98 98 LYS CA C 98 54.700 54.700 56.946 -2.246 19452 7377 1 14 . 1 1 98 98 LYS CB C 98 34.200 34.200 34.808 -0.608 19452 7378 1 14 . 1 1 98 98 LYS H H 98 7.840 7.840 8.277 -0.437 19452 7379 1 14 . 1 1 99 99 LYS N N 99 124.900 124.900 125.634 -0.734 19452 7380 1 14 . 1 1 99 99 LYS HA H 99 3.610 3.610 4.814 -1.204 19452 7381 1 14 . 1 1 99 99 LYS C C 99 176.300 176.300 175.030 1.270 19452 7382 1 14 . 1 1 99 99 LYS CA C 99 56.600 56.600 55.296 1.304 19452 7383 1 14 . 1 1 99 99 LYS CB C 99 31.500 31.500 33.821 -2.321 19452 7384 1 14 . 1 1 99 99 LYS H H 99 8.880 8.880 8.855 0.025 19452 7385 1 14 . 1 1 100 100 LEU N N 100 128.800 128.800 126.966 1.834 19452 7386 1 14 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.617 -0.177 19452 7387 1 14 . 1 1 100 100 LEU C C 100 177.400 177.400 175.723 1.677 19452 7388 1 14 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.380 1.920 19452 7389 1 14 . 1 1 100 100 LEU CB C 100 44.100 44.100 44.511 -0.411 19452 7390 1 14 . 1 1 100 100 LEU H H 100 9.320 9.320 8.589 0.731 19452 7391 1 14 . 1 1 101 101 SER N N 101 109.000 109.000 117.919 -8.919 19452 7392 1 14 . 1 1 101 101 SER HA H 101 4.550 4.550 5.022 -0.472 19452 7393 1 14 . 1 1 101 101 SER C C 101 172.400 172.400 173.503 -1.103 19452 7394 1 14 . 1 1 101 101 SER CA C 101 57.200 57.200 57.985 -0.785 19452 7395 1 14 . 1 1 101 101 SER CB C 101 64.400 64.400 64.210 0.190 19452 7396 1 14 . 1 1 101 101 SER H H 101 7.260 7.260 8.917 -1.657 19452 7397 1 14 . 1 1 102 102 GLN N N 102 119.900 119.900 123.654 -3.754 19452 7398 1 14 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.585 -0.365 19452 7399 1 14 . 1 1 102 102 GLN C C 102 173.800 173.800 174.837 -1.037 19452 7400 1 14 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.716 0.684 19452 7401 1 14 . 1 1 102 102 GLN CB C 102 31.800 31.800 33.481 -1.681 19452 7402 1 14 . 1 1 102 102 GLN H H 102 8.230 8.230 8.900 -0.670 19452 7403 1 14 . 1 1 103 103 VAL N N 103 123.800 123.800 120.556 3.244 19452 7404 1 14 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.392 -0.062 19452 7405 1 14 . 1 1 103 103 VAL C C 103 174.600 174.600 175.388 -0.788 19452 7406 1 14 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.536 -0.836 19452 7407 1 14 . 1 1 103 103 VAL CB C 103 34.600 34.600 34.816 -0.216 19452 7408 1 14 . 1 1 103 103 VAL H H 103 9.310 9.310 9.147 0.163 19452 7409 1 14 . 1 1 104 104 ILE N N 104 129.400 129.400 128.040 1.360 19452 7410 1 14 . 1 1 104 104 ILE C C 104 176.400 176.400 176.239 0.161 19452 7411 1 14 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.215 -0.716 19452 7412 1 14 . 1 1 104 104 ILE CB C 104 38.700 38.700 36.830 1.870 19452 7413 1 14 . 1 1 104 104 ILE H H 104 8.970 8.970 9.085 -0.115 19452 7414 1 14 . 1 1 105 105 GLY N N 105 115.400 115.400 103.739 11.661 19452 7415 1 14 . 1 1 105 105 GLY C C 105 172.700 172.700 173.650 -0.950 19452 7416 1 14 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.842 -2.142 19452 7417 1 14 . 1 1 105 105 GLY H H 105 8.500 8.500 8.522 -0.022 19452 7418 1 14 . 1 1 106 106 ALA N N 106 120.200 120.200 121.267 -1.067 19452 7419 1 14 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.726 -0.346 19452 7420 1 14 . 1 1 106 106 ALA C C 106 176.300 176.300 175.657 0.643 19452 7421 1 14 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.241 0.259 19452 7422 1 14 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.988 -4.588 19452 7423 1 14 . 1 1 106 106 ALA H H 106 8.360 8.360 7.776 0.584 19452 7424 1 14 . 1 1 107 107 ASP N N 107 121.100 121.100 122.041 -0.941 19452 7425 1 14 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.299 -0.529 19452 7426 1 14 . 1 1 107 107 ASP C C 107 176.600 176.600 175.291 1.309 19452 7427 1 14 . 1 1 107 107 ASP CA C 107 52.600 52.600 53.095 -0.495 19452 7428 1 14 . 1 1 107 107 ASP CB C 107 40.600 40.600 42.058 -1.458 19452 7429 1 14 . 1 1 107 107 ASP H H 107 7.610 7.610 8.564 -0.954 19452 7430 1 14 . 1 1 108 108 ILE N N 108 125.700 125.700 120.085 5.615 19452 7431 1 14 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.435 -0.425 19452 7432 1 14 . 1 1 108 108 ILE C C 108 176.400 176.400 175.652 0.748 19452 7433 1 14 . 1 1 108 108 ILE CA C 108 60.700 60.700 60.544 0.156 19452 7434 1 14 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.147 0.153 19452 7435 1 14 . 1 1 108 108 ILE H H 108 8.550 8.550 8.315 0.235 19452 7436 1 14 . 1 1 109 109 SER N N 109 117.700 117.700 110.917 6.783 19452 7437 1 14 . 1 1 109 109 SER HA H 109 4.180 4.180 4.556 -0.376 19452 7438 1 14 . 1 1 109 109 SER C C 109 177.300 177.300 171.840 5.460 19452 7439 1 14 . 1 1 109 109 SER CA C 109 61.700 61.700 57.956 3.744 19452 7440 1 14 . 1 1 109 109 SER CB C 109 62.100 62.100 65.058 -2.958 19452 7441 1 14 . 1 1 109 109 SER H H 109 8.330 8.330 7.414 0.916 19452 7442 1 14 . 1 1 110 110 LYS N N 110 123.200 123.200 120.487 2.713 19452 7443 1 14 . 1 1 110 110 LYS HA H 110 4.220 4.220 5.010 -0.790 19452 7444 1 14 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.146 2.954 19452 7445 1 14 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.417 -2.117 19452 7446 1 14 . 1 1 110 110 LYS H H 110 7.480 7.480 8.354 -0.874 19452 7447 1 14 . 1 1 111 111 ILE N N 111 119.300 119.300 125.886 -6.586 19452 7448 1 14 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.157 -0.127 19452 7449 1 14 . 1 1 111 111 ILE C C 111 177.200 177.200 174.714 2.486 19452 7450 1 14 . 1 1 111 111 ILE CA C 111 61.100 61.100 61.505 -0.406 19452 7451 1 14 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.349 -1.549 19452 7452 1 14 . 1 1 111 111 ILE H H 111 7.640 7.640 8.135 -0.495 19452 7453 1 14 . 1 1 112 112 ILE N N 112 118.700 118.700 125.800 -7.100 19452 7454 1 14 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.254 -0.824 19452 7455 1 14 . 1 1 112 112 ILE C C 112 177.700 177.700 176.071 1.629 19452 7456 1 14 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.677 5.423 19452 7457 1 14 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.154 0.346 19452 7458 1 14 . 1 1 112 112 ILE H H 112 8.410 8.410 8.368 0.042 19452 7459 1 14 . 1 1 113 113 SER N N 113 113.800 113.800 123.441 -9.641 19452 7460 1 14 . 1 1 113 113 SER HA H 113 4.200 4.200 4.338 -0.138 19452 7461 1 14 . 1 1 113 113 SER C C 113 177.200 177.200 172.577 4.623 19452 7462 1 14 . 1 1 113 113 SER CA C 113 62.000 62.000 57.708 4.292 19452 7463 1 14 . 1 1 113 113 SER H H 113 7.920 7.920 8.599 -0.679 19452 7464 1 14 . 1 1 114 114 GLU N N 114 119.400 119.400 122.341 -2.941 19452 7465 1 14 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.598 -0.448 19452 7466 1 14 . 1 1 114 114 GLU C C 114 179.900 179.900 174.920 4.980 19452 7467 1 14 . 1 1 114 114 GLU CA C 114 58.500 58.500 56.022 2.478 19452 7468 1 14 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.359 -3.059 19452 7469 1 14 . 1 1 114 114 GLU H H 114 8.010 8.010 8.501 -0.491 19452 7470 1 14 . 1 1 115 115 ILE N N 115 121.700 121.700 125.417 -3.717 19452 7471 1 14 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.399 -1.019 19452 7472 1 14 . 1 1 115 115 ILE C C 115 178.100 178.100 175.712 2.388 19452 7473 1 14 . 1 1 115 115 ILE CA C 115 66.000 66.000 61.255 4.745 19452 7474 1 14 . 1 1 115 115 ILE CB C 115 37.700 37.700 40.874 -3.174 19452 7475 1 14 . 1 1 115 115 ILE H H 115 8.370 8.370 8.226 0.144 19452 7476 1 14 . 1 1 116 116 ASN N N 116 116.100 116.100 123.585 -7.485 19452 7477 1 14 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.373 -0.043 19452 7478 1 14 . 1 1 116 116 ASN C C 116 177.900 177.900 176.129 1.771 19452 7479 1 14 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.458 0.442 19452 7480 1 14 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.921 -1.321 19452 7481 1 14 . 1 1 116 116 ASN H H 116 8.230 8.230 8.776 -0.546 19452 7482 1 14 . 1 1 117 117 ASN N N 117 115.400 115.400 116.097 -0.697 19452 7483 1 14 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.426 0.204 19452 7484 1 14 . 1 1 117 117 ASN C C 117 176.200 176.200 177.406 -1.206 19452 7485 1 14 . 1 1 117 117 ASN CA C 117 54.300 54.300 55.869 -1.569 19452 7486 1 14 . 1 1 117 117 ASN CB C 117 39.100 39.100 37.921 1.179 19452 7487 1 14 . 1 1 117 117 ASN H H 117 7.930 7.930 8.509 -0.579 19452 7488 1 14 . 1 1 118 118 ASN N N 118 115.400 115.400 121.231 -5.831 19452 7489 1 14 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.682 0.328 19452 7490 1 14 . 1 1 118 118 ASN C C 118 174.400 174.400 177.472 -3.072 19452 7491 1 14 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.076 -0.876 19452 7492 1 14 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.840 3.360 19452 7493 1 14 . 1 1 118 118 ASN H H 118 7.710 7.710 7.638 0.072 19452 7494 1 14 . 1 1 119 119 ILE N N 119 117.300 117.300 117.629 -0.329 19452 7495 1 14 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.782 0.538 19452 7496 1 14 . 1 1 119 119 ILE C C 119 174.900 174.900 177.972 -3.072 19452 7497 1 14 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.988 -2.788 19452 7498 1 14 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.424 1.776 19452 7499 1 14 . 1 1 119 119 ILE H H 119 7.520 7.520 8.080 -0.560 19452 7500 1 14 . 1 1 120 120 ASN N N 120 124.900 124.900 114.303 10.597 19452 7501 1 14 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.550 -0.040 19452 7502 1 14 . 1 1 120 120 ASN CA C 120 55.000 55.000 56.066 -1.066 19452 7503 1 14 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.948 2.252 19452 7504 1 14 . 1 1 120 120 ASN H H 120 7.960 7.960 8.071 -0.111 19452 7505 1 15 . 1 1 2 2 GLY N N 2 109.900 109.900 110.086 -0.186 19452 7506 1 15 . 1 1 2 2 GLY C C 2 174.400 174.400 174.017 0.383 19452 7507 1 15 . 1 1 2 2 GLY CA C 2 45.600 45.600 45.202 0.398 19452 7508 1 15 . 1 1 2 2 GLY H H 2 8.480 8.480 8.461 0.019 19452 7509 1 15 . 1 1 3 3 THR N N 3 113.700 113.700 115.580 -1.880 19452 7510 1 15 . 1 1 3 3 THR C C 3 174.900 174.900 174.097 0.803 19452 7511 1 15 . 1 1 3 3 THR CA C 3 62.400 62.400 63.312 -0.912 19452 7512 1 15 . 1 1 3 3 THR CB C 3 70.000 70.000 69.356 0.644 19452 7513 1 15 . 1 1 3 3 THR H H 3 8.090 8.090 8.470 -0.380 19452 7514 1 15 . 1 1 4 4 LEU N N 4 124.100 124.100 118.633 5.467 19452 7515 1 15 . 1 1 4 4 LEU C C 4 177.600 177.600 176.008 1.592 19452 7516 1 15 . 1 1 4 4 LEU CA C 4 55.700 55.700 56.104 -0.404 19452 7517 1 15 . 1 1 4 4 LEU CB C 4 42.300 42.300 42.729 -0.429 19452 7518 1 15 . 1 1 4 4 LEU H H 4 8.400 8.400 8.061 0.339 19452 7519 1 15 . 1 1 5 5 GLU N N 5 121.600 121.600 117.640 3.960 19452 7520 1 15 . 1 1 5 5 GLU C C 5 176.500 176.500 175.841 0.659 19452 7521 1 15 . 1 1 5 5 GLU CA C 5 57.000 57.000 56.125 0.875 19452 7522 1 15 . 1 1 5 5 GLU CB C 5 29.900 29.900 32.210 -2.310 19452 7523 1 15 . 1 1 5 5 GLU H H 5 8.430 8.430 8.628 -0.198 19452 7524 1 15 . 1 1 6 6 ALA N N 6 124.500 124.500 122.848 1.652 19452 7525 1 15 . 1 1 6 6 ALA C C 6 177.900 177.900 175.727 2.173 19452 7526 1 15 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.364 1.536 19452 7527 1 15 . 1 1 6 6 ALA CB C 6 19.200 19.200 20.159 -0.959 19452 7528 1 15 . 1 1 6 6 ALA H H 6 8.330 8.330 8.484 -0.154 19452 7529 1 15 . 1 1 7 7 GLN N N 7 119.200 119.200 119.049 0.151 19452 7530 1 15 . 1 1 7 7 GLN C C 7 176.400 176.400 174.559 1.841 19452 7531 1 15 . 1 1 7 7 GLN CA C 7 56.000 56.000 55.099 0.902 19452 7532 1 15 . 1 1 7 7 GLN CB C 7 29.200 29.200 30.769 -1.569 19452 7533 1 15 . 1 1 7 7 GLN H H 7 8.400 8.400 8.220 0.180 19452 7534 1 15 . 1 1 8 8 THR N N 8 115.100 115.100 113.822 1.278 19452 7535 1 15 . 1 1 8 8 THR C C 8 174.500 174.500 174.157 0.343 19452 7536 1 15 . 1 1 8 8 THR CA C 8 62.300 62.300 61.666 0.634 19452 7537 1 15 . 1 1 8 8 THR CB C 8 70.000 70.000 71.472 -1.472 19452 7538 1 15 . 1 1 8 8 THR H H 8 8.210 8.210 8.544 -0.334 19452 7539 1 15 . 1 1 9 9 GLN N N 9 122.300 122.300 121.396 0.904 19452 7540 1 15 . 1 1 9 9 GLN C C 9 176.100 176.100 176.414 -0.314 19452 7541 1 15 . 1 1 9 9 GLN CA C 9 55.900 55.900 57.072 -1.172 19452 7542 1 15 . 1 1 9 9 GLN CB C 9 29.500 29.500 29.239 0.261 19452 7543 1 15 . 1 1 9 9 GLN H H 9 8.470 8.470 8.468 0.002 19452 7544 1 15 . 1 1 10 10 GLY N N 10 110.300 110.300 108.653 1.647 19452 7545 1 15 . 1 1 10 10 GLY CA C 10 44.400 44.400 44.803 -0.403 19452 7546 1 15 . 1 1 10 10 GLY H H 10 8.360 8.360 8.348 0.012 19452 7547 1 15 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.764 -0.324 19452 7548 1 15 . 1 1 11 11 PRO C C 11 177.800 177.800 176.477 1.323 19452 7549 1 15 . 1 1 11 11 PRO CA C 11 63.300 63.300 63.275 0.025 19452 7550 1 15 . 1 1 11 11 PRO CB C 11 32.000 32.000 32.387 -0.387 19452 7551 1 15 . 1 1 12 12 GLY N N 12 109.600 109.600 109.841 -0.241 19452 7552 1 15 . 1 1 12 12 GLY CA C 12 44.900 44.900 45.094 -0.194 19452 7553 1 15 . 1 1 12 12 GLY H H 12 8.600 8.600 8.738 -0.138 19452 7554 1 15 . 1 1 13 13 SER N N 13 114.700 114.700 114.751 -0.051 19452 7555 1 15 . 1 1 13 13 SER HA H 13 4.510 4.510 4.084 0.426 19452 7556 1 15 . 1 1 13 13 SER C C 13 175.300 175.300 173.441 1.859 19452 7557 1 15 . 1 1 13 13 SER CA C 13 57.800 57.800 58.920 -1.120 19452 7558 1 15 . 1 1 13 13 SER CB C 13 62.300 62.300 62.589 -0.289 19452 7559 1 15 . 1 1 13 13 SER H H 13 8.130 8.130 8.500 -0.370 19452 7560 1 15 . 1 1 14 14 MET N N 14 124.300 124.300 117.645 6.655 19452 7561 1 15 . 1 1 14 14 MET HA H 14 4.470 4.470 4.313 0.157 19452 7562 1 15 . 1 1 14 14 MET CA C 14 55.700 55.700 56.837 -1.137 19452 7563 1 15 . 1 1 14 14 MET CB C 14 32.700 32.700 32.790 -0.090 19452 7564 1 15 . 1 1 14 14 MET H H 14 9.430 9.430 8.178 1.252 19452 7565 1 15 . 1 1 15 15 ILE N N 15 122.600 122.600 119.004 3.596 19452 7566 1 15 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.338 -0.328 19452 7567 1 15 . 1 1 15 15 ILE C C 15 175.300 175.300 175.674 -0.374 19452 7568 1 15 . 1 1 15 15 ILE CA C 15 60.700 60.700 60.307 0.393 19452 7569 1 15 . 1 1 15 15 ILE CB C 15 37.500 37.500 39.444 -1.944 19452 7570 1 15 . 1 1 15 15 ILE H H 15 8.520 8.520 7.725 0.795 19452 7571 1 15 . 1 1 16 16 GLU N N 16 129.300 129.300 122.438 6.862 19452 7572 1 15 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.211 0.159 19452 7573 1 15 . 1 1 16 16 GLU C C 16 175.500 175.500 175.895 -0.395 19452 7574 1 15 . 1 1 16 16 GLU CA C 16 56.100 56.100 57.868 -1.768 19452 7575 1 15 . 1 1 16 16 GLU CB C 16 31.400 31.400 29.971 1.429 19452 7576 1 15 . 1 1 16 16 GLU H H 16 8.220 8.220 8.473 -0.253 19452 7577 1 15 . 1 1 17 17 GLN N N 17 124.500 124.500 124.642 -0.142 19452 7578 1 15 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.414 0.706 19452 7579 1 15 . 1 1 17 17 GLN C C 17 176.000 176.000 174.211 1.789 19452 7580 1 15 . 1 1 17 17 GLN CA C 17 55.200 55.200 56.245 -1.046 19452 7581 1 15 . 1 1 17 17 GLN CB C 17 30.400 30.400 30.242 0.158 19452 7582 1 15 . 1 1 17 17 GLN H H 17 8.810 8.810 8.360 0.450 19452 7583 1 15 . 1 1 18 18 ILE N N 18 118.700 118.700 124.838 -6.138 19452 7584 1 15 . 1 1 18 18 ILE C C 18 174.400 174.400 173.982 0.418 19452 7585 1 15 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.244 -1.644 19452 7586 1 15 . 1 1 18 18 ILE H H 18 8.840 8.840 8.336 0.504 19452 7587 1 15 . 1 1 19 19 GLY C C 19 174.800 174.800 174.483 0.317 19452 7588 1 15 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.512 -1.412 19452 7589 1 15 . 1 1 20 20 ASP N N 20 119.100 119.100 118.596 0.504 19452 7590 1 15 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.629 -0.039 19452 7591 1 15 . 1 1 20 20 ASP C C 20 179.900 179.900 176.016 3.884 19452 7592 1 15 . 1 1 20 20 ASP CA C 20 58.000 58.000 54.034 3.966 19452 7593 1 15 . 1 1 20 20 ASP H H 20 8.090 8.090 8.755 -0.665 19452 7594 1 15 . 1 1 21 21 SER N N 21 112.000 112.000 114.154 -2.154 19452 7595 1 15 . 1 1 21 21 SER HA H 21 4.320 4.320 4.851 -0.531 19452 7596 1 15 . 1 1 21 21 SER CA C 21 60.700 60.700 57.352 3.348 19452 7597 1 15 . 1 1 21 21 SER CB C 21 62.500 62.500 64.257 -1.757 19452 7598 1 15 . 1 1 21 21 SER H H 21 8.750 8.750 7.584 1.166 19452 7599 1 15 . 1 1 22 22 GLU N N 22 119.000 119.000 122.540 -3.540 19452 7600 1 15 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.520 0.060 19452 7601 1 15 . 1 1 22 22 GLU C C 22 176.000 176.000 174.675 1.325 19452 7602 1 15 . 1 1 22 22 GLU CA C 22 56.200 56.200 56.726 -0.526 19452 7603 1 15 . 1 1 22 22 GLU CB C 22 31.600 31.600 30.971 0.629 19452 7604 1 15 . 1 1 22 22 GLU H H 22 7.660 7.660 8.377 -0.717 19452 7605 1 15 . 1 1 23 23 PHE N N 23 120.900 120.900 124.076 -3.176 19452 7606 1 15 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.451 -0.881 19452 7607 1 15 . 1 1 23 23 PHE C C 23 176.500 176.500 175.303 1.197 19452 7608 1 15 . 1 1 23 23 PHE CA C 23 63.100 63.100 58.518 4.582 19452 7609 1 15 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.456 1.244 19452 7610 1 15 . 1 1 23 23 PHE H H 23 7.490 7.490 8.458 -0.968 19452 7611 1 15 . 1 1 24 24 ASP N N 24 118.500 118.500 128.820 -10.320 19452 7612 1 15 . 1 1 24 24 ASP HA H 24 4.630 4.630 4.920 -0.290 19452 7613 1 15 . 1 1 24 24 ASP C C 24 178.400 178.400 175.295 3.105 19452 7614 1 15 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.264 4.436 19452 7615 1 15 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.523 -3.323 19452 7616 1 15 . 1 1 24 24 ASP H H 24 8.900 8.900 8.913 -0.013 19452 7617 1 15 . 1 1 25 25 ASN N N 25 117.200 117.200 120.856 -3.656 19452 7618 1 15 . 1 1 25 25 ASN HA H 25 4.200 4.200 5.154 -0.954 19452 7619 1 15 . 1 1 25 25 ASN C C 25 176.400 176.400 175.281 1.119 19452 7620 1 15 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.467 3.533 19452 7621 1 15 . 1 1 25 25 ASN CB C 25 39.000 39.000 38.878 0.122 19452 7622 1 15 . 1 1 26 26 LYS N N 26 112.800 112.800 118.254 -5.454 19452 7623 1 15 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.625 -0.625 19452 7624 1 15 . 1 1 26 26 LYS C C 26 175.500 175.500 175.385 0.115 19452 7625 1 15 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.634 1.666 19452 7626 1 15 . 1 1 26 26 LYS CB C 26 33.000 33.000 34.891 -1.891 19452 7627 1 15 . 1 1 26 26 LYS H H 26 7.730 7.730 7.857 -0.127 19452 7628 1 15 . 1 1 27 27 VAL N N 27 114.500 114.500 117.489 -2.989 19452 7629 1 15 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.429 -0.389 19452 7630 1 15 . 1 1 27 27 VAL C C 27 177.900 177.900 175.936 1.964 19452 7631 1 15 . 1 1 27 27 VAL CA C 27 63.700 63.700 60.777 2.923 19452 7632 1 15 . 1 1 27 27 VAL H H 27 7.680 7.680 8.260 -0.580 19452 7633 1 15 . 1 1 28 28 THR N N 28 110.000 110.000 115.374 -5.374 19452 7634 1 15 . 1 1 28 28 THR HA H 28 3.710 3.710 4.017 -0.307 19452 7635 1 15 . 1 1 28 28 THR C C 28 175.800 175.800 175.789 0.011 19452 7636 1 15 . 1 1 28 28 THR CA C 28 65.200 65.200 65.439 -0.239 19452 7637 1 15 . 1 1 28 28 THR CB C 28 68.100 68.100 68.513 -0.413 19452 7638 1 15 . 1 1 28 28 THR H H 28 7.010 7.010 8.577 -1.567 19452 7639 1 15 . 1 1 29 29 SER N N 29 113.600 113.600 113.932 -0.332 19452 7640 1 15 . 1 1 29 29 SER HA H 29 4.480 4.480 4.306 0.174 19452 7641 1 15 . 1 1 29 29 SER C C 29 174.200 174.200 175.628 -1.428 19452 7642 1 15 . 1 1 29 29 SER CA C 29 58.500 58.500 59.992 -1.492 19452 7643 1 15 . 1 1 29 29 SER CB C 29 63.300 63.300 62.975 0.325 19452 7644 1 15 . 1 1 29 29 SER H H 29 8.350 8.350 8.342 0.008 19452 7645 1 15 . 1 1 30 30 CYS N N 30 120.000 120.000 120.336 -0.336 19452 7646 1 15 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.374 -0.254 19452 7647 1 15 . 1 1 30 30 CYS C C 30 174.200 174.200 176.353 -2.153 19452 7648 1 15 . 1 1 30 30 CYS CA C 30 69.700 69.700 59.322 10.378 19452 7649 1 15 . 1 1 30 30 CYS CB C 30 27.800 27.800 26.522 1.278 19452 7650 1 15 . 1 1 30 30 CYS H H 30 6.810 6.810 7.296 -0.486 19452 7651 1 15 . 1 1 31 31 ASN N N 31 124.300 124.300 120.364 3.936 19452 7652 1 15 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.189 0.921 19452 7653 1 15 . 1 1 31 31 ASN C C 31 174.900 174.900 176.024 -1.124 19452 7654 1 15 . 1 1 31 31 ASN CA C 31 52.400 52.400 57.033 -4.633 19452 7655 1 15 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.334 0.166 19452 7656 1 15 . 1 1 31 31 ASN H H 31 8.760 8.760 8.254 0.506 19452 7657 1 15 . 1 1 32 32 ASP N N 32 119.000 119.000 116.490 2.510 19452 7658 1 15 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.934 0.626 19452 7659 1 15 . 1 1 32 32 ASP C C 32 176.600 176.600 178.719 -2.119 19452 7660 1 15 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.480 -2.980 19452 7661 1 15 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.697 2.303 19452 7662 1 15 . 1 1 32 32 ASP H H 32 7.720 7.720 8.790 -1.070 19452 7663 1 15 . 1 1 33 33 ASN N N 33 115.400 115.400 118.972 -3.572 19452 7664 1 15 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.380 -0.210 19452 7665 1 15 . 1 1 33 33 ASN C C 33 173.700 173.700 175.921 -2.221 19452 7666 1 15 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.906 -1.606 19452 7667 1 15 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.807 -1.007 19452 7668 1 15 . 1 1 33 33 ASN H H 33 9.750 9.750 7.906 1.844 19452 7669 1 15 . 1 1 34 34 ILE N N 34 120.700 120.700 114.594 6.106 19452 7670 1 15 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.296 -0.276 19452 7671 1 15 . 1 1 34 34 ILE C C 34 175.500 175.500 176.866 -1.366 19452 7672 1 15 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.154 -2.754 19452 7673 1 15 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.191 -1.691 19452 7674 1 15 . 1 1 34 34 ILE H H 34 7.850 7.850 7.598 0.252 19452 7675 1 15 . 1 1 35 35 LEU N N 35 128.400 128.400 120.845 7.555 19452 7676 1 15 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.115 0.555 19452 7677 1 15 . 1 1 35 35 LEU C C 35 173.700 173.700 178.700 -5.000 19452 7678 1 15 . 1 1 35 35 LEU CA C 35 54.900 54.900 58.085 -3.185 19452 7679 1 15 . 1 1 35 35 LEU CB C 35 42.400 42.400 41.650 0.750 19452 7680 1 15 . 1 1 35 35 LEU H H 35 8.100 8.100 8.006 0.094 19452 7681 1 15 . 1 1 36 36 ILE N N 36 128.800 128.800 121.283 7.517 19452 7682 1 15 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.875 1.175 19452 7683 1 15 . 1 1 36 36 ILE C C 36 175.800 175.800 177.216 -1.416 19452 7684 1 15 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.419 -4.619 19452 7685 1 15 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.053 2.847 19452 7686 1 15 . 1 1 36 36 ILE H H 36 9.320 9.320 7.691 1.629 19452 7687 1 15 . 1 1 37 37 LEU N N 37 129.600 129.600 120.290 9.310 19452 7688 1 15 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.230 1.040 19452 7689 1 15 . 1 1 37 37 LEU C C 37 175.500 175.500 176.722 -1.222 19452 7690 1 15 . 1 1 37 37 LEU CA C 37 54.000 54.000 55.096 -1.096 19452 7691 1 15 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.025 2.775 19452 7692 1 15 . 1 1 37 37 LEU H H 37 9.400 9.400 7.739 1.661 19452 7693 1 15 . 1 1 38 38 VAL N N 38 120.100 120.100 124.340 -4.240 19452 7694 1 15 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.916 0.674 19452 7695 1 15 . 1 1 38 38 VAL C C 38 174.000 174.000 175.359 -1.359 19452 7696 1 15 . 1 1 38 38 VAL CA C 38 61.100 61.100 63.457 -2.357 19452 7697 1 15 . 1 1 38 38 VAL CB C 38 33.500 33.500 31.934 1.566 19452 7698 1 15 . 1 1 38 38 VAL H H 38 9.440 9.440 7.579 1.861 19452 7699 1 15 . 1 1 39 39 ASP N N 39 125.600 125.600 126.728 -1.128 19452 7700 1 15 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.617 0.553 19452 7701 1 15 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.119 -2.219 19452 7702 1 15 . 1 1 39 39 ASP CB C 39 38.800 38.800 40.385 -1.585 19452 7703 1 15 . 1 1 39 39 ASP H H 39 9.240 9.240 8.377 0.863 19452 7704 1 15 . 1 1 40 40 PHE N N 40 119.600 119.600 119.692 -0.092 19452 7705 1 15 . 1 1 40 40 PHE H H 40 8.860 8.860 7.841 1.019 19452 7706 1 15 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.303 0.107 19452 7707 1 15 . 1 1 53 53 PRO CA C 53 65.500 65.500 62.392 3.108 19452 7708 1 15 . 1 1 53 53 PRO CB C 53 30.800 30.800 33.060 -2.260 19452 7709 1 15 . 1 1 54 54 GLN N N 54 115.300 115.300 120.975 -5.675 19452 7710 1 15 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.459 -0.259 19452 7711 1 15 . 1 1 54 54 GLN C C 54 179.400 179.400 174.329 5.071 19452 7712 1 15 . 1 1 54 54 GLN CA C 54 58.000 58.000 54.894 3.106 19452 7713 1 15 . 1 1 54 54 GLN H H 54 7.080 7.080 8.152 -1.072 19452 7714 1 15 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.331 -0.341 19452 7715 1 15 . 1 1 55 55 LEU C C 55 178.700 178.700 175.429 3.271 19452 7716 1 15 . 1 1 55 55 LEU CA C 55 57.300 57.300 54.193 3.107 19452 7717 1 15 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.973 -1.673 19452 7718 1 15 . 1 1 56 56 GLU N N 56 118.900 118.900 116.638 2.262 19452 7719 1 15 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.800 -0.960 19452 7720 1 15 . 1 1 56 56 GLU C C 56 179.100 179.100 175.483 3.617 19452 7721 1 15 . 1 1 56 56 GLU CA C 56 59.500 59.500 55.220 4.280 19452 7722 1 15 . 1 1 56 56 GLU CB C 56 29.000 29.000 31.849 -2.849 19452 7723 1 15 . 1 1 56 56 GLU H H 56 8.150 8.150 8.186 -0.036 19452 7724 1 15 . 1 1 57 57 LYS N N 57 117.000 117.000 121.496 -4.496 19452 7725 1 15 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.531 -0.461 19452 7726 1 15 . 1 1 57 57 LYS C C 57 179.800 179.800 175.021 4.779 19452 7727 1 15 . 1 1 57 57 LYS CA C 57 59.000 59.000 56.238 2.762 19452 7728 1 15 . 1 1 57 57 LYS CB C 57 31.900 31.900 33.891 -1.990 19452 7729 1 15 . 1 1 57 57 LYS H H 57 7.160 7.160 8.509 -1.349 19452 7730 1 15 . 1 1 58 58 LEU N N 58 119.900 119.900 123.527 -3.627 19452 7731 1 15 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.549 -0.349 19452 7732 1 15 . 1 1 58 58 LEU C C 58 178.700 178.700 176.063 2.637 19452 7733 1 15 . 1 1 58 58 LEU CA C 58 57.700 57.700 56.376 1.324 19452 7734 1 15 . 1 1 58 58 LEU CB C 58 41.700 41.700 42.588 -0.888 19452 7735 1 15 . 1 1 58 58 LEU H H 58 7.650 7.650 8.785 -1.135 19452 7736 1 15 . 1 1 59 59 ALA N N 59 120.700 120.700 129.790 -9.090 19452 7737 1 15 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.320 -0.460 19452 7738 1 15 . 1 1 59 59 ALA C C 59 180.000 180.000 175.829 4.171 19452 7739 1 15 . 1 1 59 59 ALA CA C 59 54.600 54.600 51.965 2.635 19452 7740 1 15 . 1 1 59 59 ALA CB C 59 18.000 18.000 18.528 -0.528 19452 7741 1 15 . 1 1 59 59 ALA H H 59 8.440 8.440 8.642 -0.202 19452 7742 1 15 . 1 1 60 60 GLN N N 60 113.100 113.100 117.431 -4.331 19452 7743 1 15 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.238 -0.178 19452 7744 1 15 . 1 1 60 60 GLN C C 60 177.800 177.800 174.815 2.985 19452 7745 1 15 . 1 1 60 60 GLN CA C 60 57.500 57.500 55.791 1.709 19452 7746 1 15 . 1 1 60 60 GLN CB C 60 28.800 28.800 26.477 2.323 19452 7747 1 15 . 1 1 60 60 GLN H H 60 7.340 7.340 8.483 -1.143 19452 7748 1 15 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.301 -0.271 19452 7749 1 15 . 1 1 61 61 GLN C C 61 177.300 177.300 176.839 0.461 19452 7750 1 15 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.281 0.519 19452 7751 1 15 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.160 -0.160 19452 7752 1 15 . 1 1 62 62 TYR N N 62 117.300 117.300 119.263 -1.963 19452 7753 1 15 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.245 0.735 19452 7754 1 15 . 1 1 62 62 TYR C C 62 175.800 175.800 178.245 -2.445 19452 7755 1 15 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.764 -4.664 19452 7756 1 15 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.331 0.569 19452 7757 1 15 . 1 1 62 62 TYR H H 62 7.950 7.950 8.531 -0.581 19452 7758 1 15 . 1 1 63 63 THR N N 63 111.900 111.900 112.351 -0.451 19452 7759 1 15 . 1 1 63 63 THR HA H 63 4.190 4.190 4.032 0.158 19452 7760 1 15 . 1 1 63 63 THR C C 63 175.700 175.700 176.975 -1.275 19452 7761 1 15 . 1 1 63 63 THR CA C 63 64.600 64.600 65.526 -0.926 19452 7762 1 15 . 1 1 63 63 THR CB C 63 69.200 69.200 67.804 1.396 19452 7763 1 15 . 1 1 63 63 THR H H 63 7.110 7.110 7.620 -0.510 19452 7764 1 15 . 1 1 64 64 GLU N N 64 117.500 117.500 119.038 -1.538 19452 7765 1 15 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.958 0.342 19452 7766 1 15 . 1 1 64 64 GLU C C 64 177.400 177.400 178.968 -1.568 19452 7767 1 15 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.768 -1.768 19452 7768 1 15 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.212 0.888 19452 7769 1 15 . 1 1 64 64 GLU H H 64 8.610 8.610 7.863 0.747 19452 7770 1 15 . 1 1 65 65 ASN N N 65 113.300 113.300 118.376 -5.076 19452 7771 1 15 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.442 0.548 19452 7772 1 15 . 1 1 65 65 ASN C C 65 173.600 173.600 178.331 -4.731 19452 7773 1 15 . 1 1 65 65 ASN CA C 65 54.000 54.000 56.035 -2.035 19452 7774 1 15 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.065 3.035 19452 7775 1 15 . 1 1 65 65 ASN H H 65 8.050 8.050 8.179 -0.129 19452 7776 1 15 . 1 1 66 66 VAL N N 66 119.200 119.200 117.492 1.708 19452 7777 1 15 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.908 1.632 19452 7778 1 15 . 1 1 66 66 VAL C C 66 174.900 174.900 177.996 -3.096 19452 7779 1 15 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.267 -4.367 19452 7780 1 15 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.843 4.857 19452 7781 1 15 . 1 1 66 66 VAL H H 66 7.890 7.890 8.071 -0.181 19452 7782 1 15 . 1 1 67 67 LYS N N 67 127.600 127.600 119.594 8.006 19452 7783 1 15 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.899 0.661 19452 7784 1 15 . 1 1 67 67 LYS C C 67 173.600 173.600 178.547 -4.947 19452 7785 1 15 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.408 -5.308 19452 7786 1 15 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.747 4.453 19452 7787 1 15 . 1 1 67 67 LYS H H 67 8.700 8.700 8.235 0.465 19452 7788 1 15 . 1 1 68 68 ILE N N 68 123.200 123.200 115.882 7.318 19452 7789 1 15 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.890 0.690 19452 7790 1 15 . 1 1 68 68 ILE C C 68 173.900 173.900 178.941 -5.041 19452 7791 1 15 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.548 -3.048 19452 7792 1 15 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.985 0.515 19452 7793 1 15 . 1 1 68 68 ILE H H 68 8.770 8.770 7.733 1.037 19452 7794 1 15 . 1 1 69 69 TYR N N 69 124.400 124.400 118.566 5.834 19452 7795 1 15 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.284 1.376 19452 7796 1 15 . 1 1 69 69 TYR CA C 69 55.600 55.600 59.970 -4.370 19452 7797 1 15 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.943 4.457 19452 7798 1 15 . 1 1 69 69 TYR H H 69 9.060 9.060 7.512 1.548 19452 7799 1 15 . 1 1 73 73 ILE C C 73 177.400 177.400 174.116 3.284 19452 7800 1 15 . 1 1 73 73 ILE CA C 73 62.600 62.600 60.973 1.627 19452 7801 1 15 . 1 1 74 74 GLU N N 74 121.800 121.800 120.059 1.741 19452 7802 1 15 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.853 -0.573 19452 7803 1 15 . 1 1 74 74 GLU C C 74 177.800 177.800 174.793 3.007 19452 7804 1 15 . 1 1 74 74 GLU CA C 74 58.900 58.900 54.854 4.046 19452 7805 1 15 . 1 1 74 74 GLU CB C 74 29.700 29.700 32.720 -3.020 19452 7806 1 15 . 1 1 74 74 GLU H H 74 8.560 8.560 7.879 0.681 19452 7807 1 15 . 1 1 75 75 ASP N N 75 114.200 114.200 124.398 -10.198 19452 7808 1 15 . 1 1 75 75 ASP C C 75 175.800 175.800 174.212 1.588 19452 7809 1 15 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.326 2.674 19452 7810 1 15 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.273 -2.473 19452 7811 1 15 . 1 1 75 75 ASP H H 75 6.840 6.840 8.945 -2.105 19452 7812 1 15 . 1 1 76 76 ASN N N 76 118.400 118.400 117.393 1.007 19452 7813 1 15 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.372 -0.352 19452 7814 1 15 . 1 1 76 76 ASN C C 76 174.000 174.000 173.343 0.657 19452 7815 1 15 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.297 1.403 19452 7816 1 15 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.471 -0.872 19452 7817 1 15 . 1 1 76 76 ASN H H 76 7.600 7.600 8.316 -0.716 19452 7818 1 15 . 1 1 77 77 GLN N N 77 122.000 122.000 123.876 -1.876 19452 7819 1 15 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.851 -0.111 19452 7820 1 15 . 1 1 77 77 GLN C C 77 177.800 177.800 174.292 3.508 19452 7821 1 15 . 1 1 77 77 GLN CA C 77 56.400 56.400 54.358 2.042 19452 7822 1 15 . 1 1 77 77 GLN CB C 77 30.600 30.600 32.849 -2.249 19452 7823 1 15 . 1 1 77 77 GLN H H 77 9.040 9.040 8.887 0.153 19452 7824 1 15 . 1 1 78 78 ASP N N 78 125.900 125.900 120.449 5.451 19452 7825 1 15 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.755 -1.345 19452 7826 1 15 . 1 1 78 78 ASP C C 78 178.900 178.900 174.675 4.225 19452 7827 1 15 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.450 7.250 19452 7828 1 15 . 1 1 78 78 ASP CB C 78 40.000 40.000 44.107 -4.107 19452 7829 1 15 . 1 1 78 78 ASP H H 78 10.210 10.210 8.423 1.787 19452 7830 1 15 . 1 1 79 79 VAL N N 79 123.800 123.800 118.613 5.187 19452 7831 1 15 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.478 -0.988 19452 7832 1 15 . 1 1 79 79 VAL C C 79 178.400 178.400 175.700 2.700 19452 7833 1 15 . 1 1 79 79 VAL CA C 79 66.500 66.500 60.126 6.374 19452 7834 1 15 . 1 1 79 79 VAL CB C 79 30.500 30.500 33.996 -3.496 19452 7835 1 15 . 1 1 79 79 VAL H H 79 8.130 8.130 8.537 -0.407 19452 7836 1 15 . 1 1 80 80 ALA N N 80 121.800 121.800 127.567 -5.767 19452 7837 1 15 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.249 -0.739 19452 7838 1 15 . 1 1 80 80 ALA C C 80 179.600 179.600 177.513 2.087 19452 7839 1 15 . 1 1 80 80 ALA CA C 80 54.900 54.900 54.996 -0.096 19452 7840 1 15 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.778 -2.478 19452 7841 1 15 . 1 1 80 80 ALA H H 80 9.250 9.250 8.705 0.545 19452 7842 1 15 . 1 1 81 81 THR N N 81 113.200 113.200 109.094 4.106 19452 7843 1 15 . 1 1 81 81 THR HA H 81 3.960 3.960 4.800 -0.840 19452 7844 1 15 . 1 1 81 81 THR C C 81 177.700 177.700 173.916 3.784 19452 7845 1 15 . 1 1 81 81 THR CA C 81 66.400 66.400 59.925 6.475 19452 7846 1 15 . 1 1 81 81 THR CB C 81 68.500 68.500 67.796 0.704 19452 7847 1 15 . 1 1 81 81 THR H H 81 7.990 7.990 7.640 0.350 19452 7848 1 15 . 1 1 82 82 GLN N N 82 123.800 123.800 123.905 -0.105 19452 7849 1 15 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.498 -0.648 19452 7850 1 15 . 1 1 82 82 GLN C C 82 177.900 177.900 176.443 1.457 19452 7851 1 15 . 1 1 82 82 GLN CA C 82 58.900 58.900 57.779 1.121 19452 7852 1 15 . 1 1 82 82 GLN CB C 82 28.000 28.000 28.603 -0.603 19452 7853 1 15 . 1 1 82 82 GLN H H 82 8.170 8.170 8.484 -0.314 19452 7854 1 15 . 1 1 83 83 TYR N N 83 112.900 112.900 118.499 -5.599 19452 7855 1 15 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.587 -0.157 19452 7856 1 15 . 1 1 83 83 TYR C C 83 175.300 175.300 175.378 -0.078 19452 7857 1 15 . 1 1 83 83 TYR CA C 83 59.000 59.000 59.139 -0.139 19452 7858 1 15 . 1 1 83 83 TYR CB C 83 38.500 38.500 37.881 0.619 19452 7859 1 15 . 1 1 83 83 TYR H H 83 7.780 7.780 8.359 -0.579 19452 7860 1 15 . 1 1 84 84 GLY N N 84 110.200 110.200 107.328 2.872 19452 7861 1 15 . 1 1 84 84 GLY C C 84 175.300 175.300 172.831 2.469 19452 7862 1 15 . 1 1 84 84 GLY CA C 84 47.100 47.100 44.895 2.205 19452 7863 1 15 . 1 1 84 84 GLY H H 84 7.670 7.670 7.636 0.034 19452 7864 1 15 . 1 1 85 85 VAL N N 85 121.300 121.300 117.919 3.381 19452 7865 1 15 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.450 -0.580 19452 7866 1 15 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.747 1.253 19452 7867 1 15 . 1 1 85 85 VAL CB C 85 30.500 30.500 34.708 -4.208 19452 7868 1 15 . 1 1 85 85 VAL H H 85 8.500 8.500 7.536 0.964 19452 7869 1 15 . 1 1 90 90 THR HA H 90 5.170 5.170 3.983 1.187 19452 7870 1 15 . 1 1 90 90 THR C C 90 172.300 172.300 176.556 -4.256 19452 7871 1 15 . 1 1 90 90 THR CA C 90 63.500 63.500 64.726 -1.226 19452 7872 1 15 . 1 1 90 90 THR CB C 90 73.300 73.300 68.667 4.633 19452 7873 1 15 . 1 1 91 91 ILE N N 91 126.600 126.600 116.769 9.831 19452 7874 1 15 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.095 1.495 19452 7875 1 15 . 1 1 91 91 ILE C C 91 175.900 175.900 176.599 -0.699 19452 7876 1 15 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.349 -2.949 19452 7877 1 15 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.134 1.866 19452 7878 1 15 . 1 1 91 91 ILE H H 91 9.340 9.340 7.562 1.778 19452 7879 1 15 . 1 1 92 92 LEU N N 92 125.700 125.700 118.865 6.835 19452 7880 1 15 . 1 1 92 92 LEU HA H 92 5.120 5.120 3.990 1.130 19452 7881 1 15 . 1 1 92 92 LEU C C 92 176.100 176.100 175.893 0.207 19452 7882 1 15 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.620 -1.520 19452 7883 1 15 . 1 1 92 92 LEU H H 92 9.120 9.120 7.546 1.574 19452 7884 1 15 . 1 1 93 93 MET N N 93 117.700 117.700 118.227 -0.527 19452 7885 1 15 . 1 1 93 93 MET HA H 93 5.860 5.860 4.633 1.227 19452 7886 1 15 . 1 1 93 93 MET C C 93 174.400 174.400 174.640 -0.240 19452 7887 1 15 . 1 1 93 93 MET CA C 93 54.400 54.400 53.811 0.589 19452 7888 1 15 . 1 1 93 93 MET CB C 93 34.100 34.100 32.326 1.774 19452 7889 1 15 . 1 1 93 93 MET H H 93 8.080 8.080 8.106 -0.026 19452 7890 1 15 . 1 1 94 94 PHE N N 94 123.300 123.300 125.918 -2.618 19452 7891 1 15 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.395 1.175 19452 7892 1 15 . 1 1 94 94 PHE C C 94 174.800 174.800 175.717 -0.917 19452 7893 1 15 . 1 1 94 94 PHE CA C 94 55.900 55.900 59.226 -3.326 19452 7894 1 15 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.552 5.248 19452 7895 1 15 . 1 1 94 94 PHE H H 94 9.990 9.990 8.373 1.617 19452 7896 1 15 . 1 1 95 95 LYS N N 95 117.100 117.100 122.270 -5.170 19452 7897 1 15 . 1 1 95 95 LYS C C 95 176.500 176.500 174.969 1.531 19452 7898 1 15 . 1 1 95 95 LYS CA C 95 57.500 57.500 55.550 1.950 19452 7899 1 15 . 1 1 95 95 LYS CB C 95 37.200 37.200 31.664 5.536 19452 7900 1 15 . 1 1 95 95 LYS H H 95 8.630 8.630 8.250 0.380 19452 7901 1 15 . 1 1 96 96 ASN N N 96 130.400 130.400 120.051 10.349 19452 7902 1 15 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.916 -0.096 19452 7903 1 15 . 1 1 96 96 ASN C C 96 175.900 175.900 172.733 3.167 19452 7904 1 15 . 1 1 96 96 ASN CA C 96 54.500 54.500 50.991 3.509 19452 7905 1 15 . 1 1 96 96 ASN CB C 96 36.900 36.900 41.856 -4.956 19452 7906 1 15 . 1 1 96 96 ASN H H 96 10.190 10.190 7.929 2.261 19452 7907 1 15 . 1 1 97 97 GLY C C 97 173.700 173.700 173.463 0.237 19452 7908 1 15 . 1 1 97 97 GLY CA C 97 46.000 46.000 44.572 1.429 19452 7909 1 15 . 1 1 98 98 LYS N N 98 120.300 120.300 125.073 -4.773 19452 7910 1 15 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.709 0.031 19452 7911 1 15 . 1 1 98 98 LYS C C 98 175.500 175.500 175.409 0.091 19452 7912 1 15 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.557 -0.857 19452 7913 1 15 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.579 -2.379 19452 7914 1 15 . 1 1 98 98 LYS H H 98 7.840 7.840 8.169 -0.329 19452 7915 1 15 . 1 1 99 99 LYS N N 99 124.900 124.900 122.435 2.465 19452 7916 1 15 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.045 -1.435 19452 7917 1 15 . 1 1 99 99 LYS C C 99 176.300 176.300 175.042 1.258 19452 7918 1 15 . 1 1 99 99 LYS CA C 99 56.600 56.600 55.054 1.546 19452 7919 1 15 . 1 1 99 99 LYS CB C 99 31.500 31.500 35.520 -4.020 19452 7920 1 15 . 1 1 99 99 LYS H H 99 8.880 8.880 8.774 0.106 19452 7921 1 15 . 1 1 100 100 LEU N N 100 128.800 128.800 126.341 2.459 19452 7922 1 15 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.624 -0.184 19452 7923 1 15 . 1 1 100 100 LEU C C 100 177.400 177.400 175.586 1.814 19452 7924 1 15 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.720 1.580 19452 7925 1 15 . 1 1 100 100 LEU CB C 100 44.100 44.100 45.183 -1.083 19452 7926 1 15 . 1 1 100 100 LEU H H 100 9.320 9.320 8.586 0.734 19452 7927 1 15 . 1 1 101 101 SER N N 101 109.000 109.000 118.193 -9.193 19452 7928 1 15 . 1 1 101 101 SER HA H 101 4.550 4.550 5.022 -0.472 19452 7929 1 15 . 1 1 101 101 SER C C 101 172.400 172.400 173.495 -1.095 19452 7930 1 15 . 1 1 101 101 SER CA C 101 57.200 57.200 58.039 -0.839 19452 7931 1 15 . 1 1 101 101 SER CB C 101 64.400 64.400 64.066 0.334 19452 7932 1 15 . 1 1 101 101 SER H H 101 7.260 7.260 8.644 -1.384 19452 7933 1 15 . 1 1 102 102 GLN N N 102 119.900 119.900 123.926 -4.026 19452 7934 1 15 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.224 -0.004 19452 7935 1 15 . 1 1 102 102 GLN C C 102 173.800 173.800 174.608 -0.808 19452 7936 1 15 . 1 1 102 102 GLN CA C 102 54.400 54.400 54.050 0.350 19452 7937 1 15 . 1 1 102 102 GLN CB C 102 31.800 31.800 33.213 -1.413 19452 7938 1 15 . 1 1 102 102 GLN H H 102 8.230 8.230 8.965 -0.735 19452 7939 1 15 . 1 1 103 103 VAL N N 103 123.800 123.800 120.550 3.250 19452 7940 1 15 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.341 -0.011 19452 7941 1 15 . 1 1 103 103 VAL C C 103 174.600 174.600 175.349 -0.749 19452 7942 1 15 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.323 -0.623 19452 7943 1 15 . 1 1 103 103 VAL CB C 103 34.600 34.600 34.917 -0.317 19452 7944 1 15 . 1 1 103 103 VAL H H 103 9.310 9.310 8.988 0.322 19452 7945 1 15 . 1 1 104 104 ILE N N 104 129.400 129.400 127.765 1.635 19452 7946 1 15 . 1 1 104 104 ILE C C 104 176.400 176.400 176.224 0.176 19452 7947 1 15 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.342 -0.842 19452 7948 1 15 . 1 1 104 104 ILE CB C 104 38.700 38.700 36.866 1.834 19452 7949 1 15 . 1 1 104 104 ILE H H 104 8.970 8.970 8.897 0.073 19452 7950 1 15 . 1 1 105 105 GLY N N 105 115.400 115.400 103.146 12.254 19452 7951 1 15 . 1 1 105 105 GLY C C 105 172.700 172.700 173.378 -0.678 19452 7952 1 15 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.635 -1.935 19452 7953 1 15 . 1 1 105 105 GLY H H 105 8.500 8.500 8.589 -0.089 19452 7954 1 15 . 1 1 106 106 ALA N N 106 120.200 120.200 122.840 -2.640 19452 7955 1 15 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.736 -0.356 19452 7956 1 15 . 1 1 106 106 ALA C C 106 176.300 176.300 175.769 0.531 19452 7957 1 15 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.640 -0.140 19452 7958 1 15 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.485 -4.085 19452 7959 1 15 . 1 1 106 106 ALA H H 106 8.360 8.360 7.863 0.497 19452 7960 1 15 . 1 1 107 107 ASP N N 107 121.100 121.100 123.936 -2.836 19452 7961 1 15 . 1 1 107 107 ASP HA H 107 4.770 4.770 4.909 -0.139 19452 7962 1 15 . 1 1 107 107 ASP C C 107 176.600 176.600 175.978 0.622 19452 7963 1 15 . 1 1 107 107 ASP CA C 107 52.600 52.600 54.557 -1.957 19452 7964 1 15 . 1 1 107 107 ASP CB C 107 40.600 40.600 40.919 -0.319 19452 7965 1 15 . 1 1 107 107 ASP H H 107 7.610 7.610 8.772 -1.162 19452 7966 1 15 . 1 1 108 108 ILE N N 108 125.700 125.700 122.081 3.619 19452 7967 1 15 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.432 -0.422 19452 7968 1 15 . 1 1 108 108 ILE C C 108 176.400 176.400 176.077 0.323 19452 7969 1 15 . 1 1 108 108 ILE CA C 108 60.700 60.700 60.934 -0.234 19452 7970 1 15 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.043 0.257 19452 7971 1 15 . 1 1 108 108 ILE H H 108 8.550 8.550 8.205 0.345 19452 7972 1 15 . 1 1 109 109 SER N N 109 117.700 117.700 110.436 7.264 19452 7973 1 15 . 1 1 109 109 SER HA H 109 4.180 4.180 4.528 -0.348 19452 7974 1 15 . 1 1 109 109 SER C C 109 177.300 177.300 171.996 5.304 19452 7975 1 15 . 1 1 109 109 SER CA C 109 61.700 61.700 58.102 3.598 19452 7976 1 15 . 1 1 109 109 SER CB C 109 62.100 62.100 65.231 -3.131 19452 7977 1 15 . 1 1 109 109 SER H H 109 8.330 8.330 7.418 0.912 19452 7978 1 15 . 1 1 110 110 LYS N N 110 123.200 123.200 120.363 2.837 19452 7979 1 15 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.901 -0.681 19452 7980 1 15 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.088 3.012 19452 7981 1 15 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.294 -1.994 19452 7982 1 15 . 1 1 110 110 LYS H H 110 7.480 7.480 8.510 -1.030 19452 7983 1 15 . 1 1 111 111 ILE N N 111 119.300 119.300 125.603 -6.303 19452 7984 1 15 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.258 -0.228 19452 7985 1 15 . 1 1 111 111 ILE C C 111 177.200 177.200 174.816 2.384 19452 7986 1 15 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.939 0.161 19452 7987 1 15 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.422 -1.622 19452 7988 1 15 . 1 1 111 111 ILE H H 111 7.640 7.640 8.098 -0.458 19452 7989 1 15 . 1 1 112 112 ILE N N 112 118.700 118.700 125.308 -6.608 19452 7990 1 15 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.251 -0.821 19452 7991 1 15 . 1 1 112 112 ILE C C 112 177.700 177.700 176.222 1.478 19452 7992 1 15 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.640 5.460 19452 7993 1 15 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.564 -0.064 19452 7994 1 15 . 1 1 112 112 ILE H H 112 8.410 8.410 8.381 0.029 19452 7995 1 15 . 1 1 113 113 SER N N 113 113.800 113.800 123.198 -9.398 19452 7996 1 15 . 1 1 113 113 SER HA H 113 4.200 4.200 4.193 0.007 19452 7997 1 15 . 1 1 113 113 SER C C 113 177.200 177.200 172.433 4.767 19452 7998 1 15 . 1 1 113 113 SER CA C 113 62.000 62.000 57.343 4.657 19452 7999 1 15 . 1 1 113 113 SER H H 113 7.920 7.920 8.275 -0.355 19452 8000 1 15 . 1 1 114 114 GLU N N 114 119.400 119.400 120.982 -1.582 19452 8001 1 15 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.567 -0.417 19452 8002 1 15 . 1 1 114 114 GLU C C 114 179.900 179.900 175.073 4.827 19452 8003 1 15 . 1 1 114 114 GLU CA C 114 58.500 58.500 56.204 2.296 19452 8004 1 15 . 1 1 114 114 GLU CB C 114 27.300 27.300 29.860 -2.559 19452 8005 1 15 . 1 1 114 114 GLU H H 114 8.010 8.010 8.370 -0.360 19452 8006 1 15 . 1 1 115 115 ILE N N 115 121.700 121.700 125.835 -4.135 19452 8007 1 15 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.414 -1.034 19452 8008 1 15 . 1 1 115 115 ILE C C 115 178.100 178.100 175.602 2.498 19452 8009 1 15 . 1 1 115 115 ILE CA C 115 66.000 66.000 61.063 4.937 19452 8010 1 15 . 1 1 115 115 ILE CB C 115 37.700 37.700 39.787 -2.087 19452 8011 1 15 . 1 1 115 115 ILE H H 115 8.370 8.370 8.060 0.310 19452 8012 1 15 . 1 1 116 116 ASN N N 116 116.100 116.100 122.898 -6.798 19452 8013 1 15 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.361 -0.031 19452 8014 1 15 . 1 1 116 116 ASN C C 116 177.900 177.900 175.890 2.010 19452 8015 1 15 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.385 0.515 19452 8016 1 15 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.867 -1.266 19452 8017 1 15 . 1 1 116 116 ASN H H 116 8.230 8.230 8.515 -0.285 19452 8018 1 15 . 1 1 117 117 ASN N N 117 115.400 115.400 115.909 -0.509 19452 8019 1 15 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.425 0.205 19452 8020 1 15 . 1 1 117 117 ASN C C 117 176.200 176.200 176.946 -0.746 19452 8021 1 15 . 1 1 117 117 ASN CA C 117 54.300 54.300 55.860 -1.560 19452 8022 1 15 . 1 1 117 117 ASN CB C 117 39.100 39.100 38.032 1.068 19452 8023 1 15 . 1 1 117 117 ASN H H 117 7.930 7.930 8.376 -0.446 19452 8024 1 15 . 1 1 118 118 ASN N N 118 115.400 115.400 121.266 -5.866 19452 8025 1 15 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.611 0.399 19452 8026 1 15 . 1 1 118 118 ASN C C 118 174.400 174.400 177.208 -2.808 19452 8027 1 15 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.104 -0.904 19452 8028 1 15 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.116 4.084 19452 8029 1 15 . 1 1 118 118 ASN H H 118 7.710 7.710 7.604 0.106 19452 8030 1 15 . 1 1 119 119 ILE N N 119 117.300 117.300 117.936 -0.636 19452 8031 1 15 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.775 0.545 19452 8032 1 15 . 1 1 119 119 ILE C C 119 174.900 174.900 177.742 -2.842 19452 8033 1 15 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.951 -2.751 19452 8034 1 15 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.515 1.685 19452 8035 1 15 . 1 1 119 119 ILE H H 119 7.520 7.520 7.996 -0.476 19452 8036 1 15 . 1 1 120 120 ASN N N 120 124.900 124.900 114.360 10.540 19452 8037 1 15 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.536 -0.026 19452 8038 1 15 . 1 1 120 120 ASN CA C 120 55.000 55.000 56.186 -1.186 19452 8039 1 15 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.935 2.265 19452 8040 1 15 . 1 1 120 120 ASN H H 120 7.960 7.960 8.061 -0.101 19452 8041 1 16 . 1 1 2 2 GLY N N 2 109.900 109.900 112.181 -2.281 19452 8042 1 16 . 1 1 2 2 GLY C C 2 174.400 174.400 172.947 1.453 19452 8043 1 16 . 1 1 2 2 GLY CA C 2 45.600 45.600 45.548 0.052 19452 8044 1 16 . 1 1 2 2 GLY H H 2 8.480 8.480 8.426 0.054 19452 8045 1 16 . 1 1 3 3 THR N N 3 113.700 113.700 115.429 -1.729 19452 8046 1 16 . 1 1 3 3 THR C C 3 174.900 174.900 173.214 1.686 19452 8047 1 16 . 1 1 3 3 THR CA C 3 62.400 62.400 60.853 1.547 19452 8048 1 16 . 1 1 3 3 THR CB C 3 70.000 70.000 70.541 -0.541 19452 8049 1 16 . 1 1 3 3 THR H H 3 8.090 8.090 8.091 -0.001 19452 8050 1 16 . 1 1 4 4 LEU N N 4 124.100 124.100 120.180 3.920 19452 8051 1 16 . 1 1 4 4 LEU C C 4 177.600 177.600 176.382 1.218 19452 8052 1 16 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.159 1.541 19452 8053 1 16 . 1 1 4 4 LEU CB C 4 42.300 42.300 43.499 -1.199 19452 8054 1 16 . 1 1 4 4 LEU H H 4 8.400 8.400 8.589 -0.189 19452 8055 1 16 . 1 1 5 5 GLU N N 5 121.600 121.600 119.512 2.088 19452 8056 1 16 . 1 1 5 5 GLU C C 5 176.500 176.500 175.215 1.285 19452 8057 1 16 . 1 1 5 5 GLU CA C 5 57.000 57.000 56.137 0.863 19452 8058 1 16 . 1 1 5 5 GLU CB C 5 29.900 29.900 29.322 0.578 19452 8059 1 16 . 1 1 5 5 GLU H H 5 8.430 8.430 8.301 0.129 19452 8060 1 16 . 1 1 6 6 ALA N N 6 124.500 124.500 121.530 2.970 19452 8061 1 16 . 1 1 6 6 ALA C C 6 177.900 177.900 175.995 1.905 19452 8062 1 16 . 1 1 6 6 ALA CA C 6 52.900 52.900 50.746 2.154 19452 8063 1 16 . 1 1 6 6 ALA CB C 6 19.200 19.200 22.457 -3.257 19452 8064 1 16 . 1 1 6 6 ALA H H 6 8.330 8.330 7.587 0.743 19452 8065 1 16 . 1 1 7 7 GLN N N 7 119.200 119.200 116.283 2.917 19452 8066 1 16 . 1 1 7 7 GLN C C 7 176.400 176.400 173.676 2.724 19452 8067 1 16 . 1 1 7 7 GLN CA C 7 56.000 56.000 55.188 0.812 19452 8068 1 16 . 1 1 7 7 GLN CB C 7 29.200 29.200 30.071 -0.871 19452 8069 1 16 . 1 1 7 7 GLN H H 7 8.400 8.400 8.054 0.346 19452 8070 1 16 . 1 1 8 8 THR N N 8 115.100 115.100 113.235 1.865 19452 8071 1 16 . 1 1 8 8 THR C C 8 174.500 174.500 173.248 1.252 19452 8072 1 16 . 1 1 8 8 THR CA C 8 62.300 62.300 61.659 0.641 19452 8073 1 16 . 1 1 8 8 THR CB C 8 70.000 70.000 71.291 -1.291 19452 8074 1 16 . 1 1 8 8 THR H H 8 8.210 8.210 8.385 -0.175 19452 8075 1 16 . 1 1 9 9 GLN N N 9 122.300 122.300 118.739 3.561 19452 8076 1 16 . 1 1 9 9 GLN C C 9 176.100 176.100 175.584 0.516 19452 8077 1 16 . 1 1 9 9 GLN CA C 9 55.900 55.900 54.820 1.080 19452 8078 1 16 . 1 1 9 9 GLN CB C 9 29.500 29.500 31.010 -1.510 19452 8079 1 16 . 1 1 9 9 GLN H H 9 8.470 8.470 8.367 0.103 19452 8080 1 16 . 1 1 10 10 GLY N N 10 110.300 110.300 107.652 2.648 19452 8081 1 16 . 1 1 10 10 GLY CA C 10 44.400 44.400 44.610 -0.210 19452 8082 1 16 . 1 1 10 10 GLY H H 10 8.360 8.360 8.492 -0.132 19452 8083 1 16 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.559 -0.119 19452 8084 1 16 . 1 1 11 11 PRO C C 11 177.800 177.800 176.339 1.461 19452 8085 1 16 . 1 1 11 11 PRO CA C 11 63.300 63.300 62.915 0.385 19452 8086 1 16 . 1 1 11 11 PRO CB C 11 32.000 32.000 33.869 -1.869 19452 8087 1 16 . 1 1 12 12 GLY N N 12 109.600 109.600 111.683 -2.083 19452 8088 1 16 . 1 1 12 12 GLY CA C 12 44.900 44.900 45.143 -0.243 19452 8089 1 16 . 1 1 12 12 GLY H H 12 8.600 8.600 8.842 -0.242 19452 8090 1 16 . 1 1 13 13 SER N N 13 114.700 114.700 115.428 -0.728 19452 8091 1 16 . 1 1 13 13 SER HA H 13 4.510 4.510 4.489 0.021 19452 8092 1 16 . 1 1 13 13 SER C C 13 175.300 175.300 174.258 1.042 19452 8093 1 16 . 1 1 13 13 SER CA C 13 57.800 57.800 58.237 -0.437 19452 8094 1 16 . 1 1 13 13 SER CB C 13 62.300 62.300 64.051 -1.751 19452 8095 1 16 . 1 1 13 13 SER H H 13 8.130 8.130 7.891 0.239 19452 8096 1 16 . 1 1 14 14 MET N N 14 124.300 124.300 119.350 4.950 19452 8097 1 16 . 1 1 14 14 MET HA H 14 4.470 4.470 4.586 -0.116 19452 8098 1 16 . 1 1 14 14 MET CA C 14 55.700 55.700 55.887 -0.187 19452 8099 1 16 . 1 1 14 14 MET CB C 14 32.700 32.700 33.096 -0.397 19452 8100 1 16 . 1 1 14 14 MET H H 14 9.430 9.430 8.842 0.588 19452 8101 1 16 . 1 1 15 15 ILE N N 15 122.600 122.600 116.934 5.666 19452 8102 1 16 . 1 1 15 15 ILE HA H 15 4.010 4.010 3.898 0.112 19452 8103 1 16 . 1 1 15 15 ILE C C 15 175.300 175.300 174.222 1.078 19452 8104 1 16 . 1 1 15 15 ILE CA C 15 60.700 60.700 61.322 -0.622 19452 8105 1 16 . 1 1 15 15 ILE CB C 15 37.500 37.500 36.847 0.653 19452 8106 1 16 . 1 1 15 15 ILE H H 15 8.520 8.520 8.498 0.022 19452 8107 1 16 . 1 1 16 16 GLU N N 16 129.300 129.300 118.681 10.619 19452 8108 1 16 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.261 0.109 19452 8109 1 16 . 1 1 16 16 GLU C C 16 175.500 175.500 177.213 -1.713 19452 8110 1 16 . 1 1 16 16 GLU CA C 16 56.100 56.100 55.508 0.592 19452 8111 1 16 . 1 1 16 16 GLU CB C 16 31.400 31.400 30.093 1.307 19452 8112 1 16 . 1 1 16 16 GLU H H 16 8.220 8.220 7.844 0.376 19452 8113 1 16 . 1 1 17 17 GLN N N 17 124.500 124.500 120.671 3.829 19452 8114 1 16 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.086 1.034 19452 8115 1 16 . 1 1 17 17 GLN C C 17 176.000 176.000 176.901 -0.901 19452 8116 1 16 . 1 1 17 17 GLN CA C 17 55.200 55.200 57.525 -2.325 19452 8117 1 16 . 1 1 17 17 GLN CB C 17 30.400 30.400 28.846 1.554 19452 8118 1 16 . 1 1 17 17 GLN H H 17 8.810 8.810 8.626 0.184 19452 8119 1 16 . 1 1 18 18 ILE N N 18 118.700 118.700 117.738 0.962 19452 8120 1 16 . 1 1 18 18 ILE C C 18 174.400 174.400 173.453 0.947 19452 8121 1 16 . 1 1 18 18 ILE CA C 18 59.600 59.600 60.817 -1.217 19452 8122 1 16 . 1 1 18 18 ILE H H 18 8.840 8.840 7.830 1.010 19452 8123 1 16 . 1 1 19 19 GLY C C 19 174.800 174.800 173.824 0.976 19452 8124 1 16 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.871 -1.771 19452 8125 1 16 . 1 1 20 20 ASP N N 20 119.100 119.100 119.497 -0.397 19452 8126 1 16 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.806 -0.216 19452 8127 1 16 . 1 1 20 20 ASP C C 20 179.900 179.900 176.565 3.335 19452 8128 1 16 . 1 1 20 20 ASP CA C 20 58.000 58.000 54.932 3.068 19452 8129 1 16 . 1 1 20 20 ASP H H 20 8.090 8.090 8.241 -0.151 19452 8130 1 16 . 1 1 21 21 SER N N 21 112.000 112.000 116.173 -4.173 19452 8131 1 16 . 1 1 21 21 SER HA H 21 4.320 4.320 4.533 -0.213 19452 8132 1 16 . 1 1 21 21 SER CA C 21 60.700 60.700 60.802 -0.102 19452 8133 1 16 . 1 1 21 21 SER CB C 21 62.500 62.500 64.178 -1.678 19452 8134 1 16 . 1 1 21 21 SER H H 21 8.750 8.750 8.351 0.399 19452 8135 1 16 . 1 1 22 22 GLU N N 22 119.000 119.000 118.430 0.570 19452 8136 1 16 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.384 0.196 19452 8137 1 16 . 1 1 22 22 GLU C C 22 176.000 176.000 176.428 -0.428 19452 8138 1 16 . 1 1 22 22 GLU CA C 22 56.200 56.200 57.212 -1.012 19452 8139 1 16 . 1 1 22 22 GLU CB C 22 31.600 31.600 32.184 -0.584 19452 8140 1 16 . 1 1 22 22 GLU H H 22 7.660 7.660 7.938 -0.278 19452 8141 1 16 . 1 1 23 23 PHE N N 23 120.900 120.900 122.027 -1.127 19452 8142 1 16 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.320 -0.750 19452 8143 1 16 . 1 1 23 23 PHE C C 23 176.500 176.500 174.404 2.096 19452 8144 1 16 . 1 1 23 23 PHE CA C 23 63.100 63.100 59.054 4.046 19452 8145 1 16 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.229 1.471 19452 8146 1 16 . 1 1 23 23 PHE H H 23 7.490 7.490 8.007 -0.517 19452 8147 1 16 . 1 1 24 24 ASP N N 24 118.500 118.500 126.258 -7.758 19452 8148 1 16 . 1 1 24 24 ASP HA H 24 4.630 4.630 5.052 -0.422 19452 8149 1 16 . 1 1 24 24 ASP C C 24 178.400 178.400 174.447 3.953 19452 8150 1 16 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.190 4.510 19452 8151 1 16 . 1 1 24 24 ASP CB C 24 40.200 40.200 44.566 -4.366 19452 8152 1 16 . 1 1 24 24 ASP H H 24 8.900 8.900 8.843 0.057 19452 8153 1 16 . 1 1 25 25 ASN N N 25 117.200 117.200 120.264 -3.064 19452 8154 1 16 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.977 -0.777 19452 8155 1 16 . 1 1 25 25 ASN C C 25 176.400 176.400 174.932 1.468 19452 8156 1 16 . 1 1 25 25 ASN CA C 25 56.000 56.000 53.232 2.768 19452 8157 1 16 . 1 1 25 25 ASN CB C 25 39.000 39.000 39.339 -0.339 19452 8158 1 16 . 1 1 26 26 LYS N N 26 112.800 112.800 118.198 -5.398 19452 8159 1 16 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.862 -0.862 19452 8160 1 16 . 1 1 26 26 LYS C C 26 175.500 175.500 175.094 0.406 19452 8161 1 16 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.027 2.273 19452 8162 1 16 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.470 -2.470 19452 8163 1 16 . 1 1 26 26 LYS H H 26 7.730 7.730 8.605 -0.875 19452 8164 1 16 . 1 1 27 27 VAL N N 27 114.500 114.500 116.491 -1.991 19452 8165 1 16 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.296 -0.256 19452 8166 1 16 . 1 1 27 27 VAL C C 27 177.900 177.900 174.876 3.024 19452 8167 1 16 . 1 1 27 27 VAL CA C 27 63.700 63.700 61.106 2.594 19452 8168 1 16 . 1 1 27 27 VAL H H 27 7.680 7.680 8.111 -0.431 19452 8169 1 16 . 1 1 28 28 THR N N 28 110.000 110.000 113.270 -3.270 19452 8170 1 16 . 1 1 28 28 THR HA H 28 3.710 3.710 4.262 -0.552 19452 8171 1 16 . 1 1 28 28 THR C C 28 175.800 175.800 176.537 -0.737 19452 8172 1 16 . 1 1 28 28 THR CA C 28 65.200 65.200 64.475 0.725 19452 8173 1 16 . 1 1 28 28 THR CB C 28 68.100 68.100 69.344 -1.244 19452 8174 1 16 . 1 1 28 28 THR H H 28 7.010 7.010 8.454 -1.444 19452 8175 1 16 . 1 1 29 29 SER N N 29 113.600 113.600 112.447 1.153 19452 8176 1 16 . 1 1 29 29 SER HA H 29 4.480 4.480 4.346 0.134 19452 8177 1 16 . 1 1 29 29 SER C C 29 174.200 174.200 175.145 -0.945 19452 8178 1 16 . 1 1 29 29 SER CA C 29 58.500 58.500 60.361 -1.861 19452 8179 1 16 . 1 1 29 29 SER CB C 29 63.300 63.300 63.263 0.037 19452 8180 1 16 . 1 1 29 29 SER H H 29 8.350 8.350 8.165 0.185 19452 8181 1 16 . 1 1 30 30 CYS N N 30 120.000 120.000 118.028 1.972 19452 8182 1 16 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.586 -0.466 19452 8183 1 16 . 1 1 30 30 CYS C C 30 174.200 174.200 175.358 -1.158 19452 8184 1 16 . 1 1 30 30 CYS CA C 30 69.700 69.700 58.117 11.583 19452 8185 1 16 . 1 1 30 30 CYS CB C 30 27.800 27.800 27.336 0.464 19452 8186 1 16 . 1 1 30 30 CYS H H 30 6.810 6.810 7.323 -0.513 19452 8187 1 16 . 1 1 31 31 ASN N N 31 124.300 124.300 121.421 2.879 19452 8188 1 16 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.190 0.920 19452 8189 1 16 . 1 1 31 31 ASN C C 31 174.900 174.900 175.913 -1.013 19452 8190 1 16 . 1 1 31 31 ASN CA C 31 52.400 52.400 57.336 -4.936 19452 8191 1 16 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.340 0.160 19452 8192 1 16 . 1 1 31 31 ASN H H 31 8.760 8.760 7.879 0.881 19452 8193 1 16 . 1 1 32 32 ASP N N 32 119.000 119.000 116.719 2.281 19452 8194 1 16 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.757 0.803 19452 8195 1 16 . 1 1 32 32 ASP C C 32 176.600 176.600 178.206 -1.606 19452 8196 1 16 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.718 -3.217 19452 8197 1 16 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.573 2.427 19452 8198 1 16 . 1 1 32 32 ASP H H 32 7.720 7.720 8.701 -0.981 19452 8199 1 16 . 1 1 33 33 ASN N N 33 115.400 115.400 117.473 -2.073 19452 8200 1 16 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.379 -0.209 19452 8201 1 16 . 1 1 33 33 ASN C C 33 173.700 173.700 176.498 -2.798 19452 8202 1 16 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.596 -1.296 19452 8203 1 16 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.263 -0.463 19452 8204 1 16 . 1 1 33 33 ASN H H 33 9.750 9.750 8.405 1.345 19452 8205 1 16 . 1 1 34 34 ILE N N 34 120.700 120.700 115.593 5.107 19452 8206 1 16 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.316 -0.296 19452 8207 1 16 . 1 1 34 34 ILE C C 34 175.500 175.500 176.745 -1.245 19452 8208 1 16 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.062 -2.663 19452 8209 1 16 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.134 -1.634 19452 8210 1 16 . 1 1 34 34 ILE H H 34 7.850 7.850 7.683 0.167 19452 8211 1 16 . 1 1 35 35 LEU N N 35 128.400 128.400 122.266 6.134 19452 8212 1 16 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.120 0.550 19452 8213 1 16 . 1 1 35 35 LEU C C 35 173.700 173.700 179.024 -5.324 19452 8214 1 16 . 1 1 35 35 LEU CA C 35 54.900 54.900 58.143 -3.243 19452 8215 1 16 . 1 1 35 35 LEU CB C 35 42.400 42.400 41.745 0.655 19452 8216 1 16 . 1 1 35 35 LEU H H 35 8.100 8.100 8.181 -0.081 19452 8217 1 16 . 1 1 36 36 ILE N N 36 128.800 128.800 121.372 7.428 19452 8218 1 16 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.768 1.282 19452 8219 1 16 . 1 1 36 36 ILE C C 36 175.800 175.800 177.511 -1.711 19452 8220 1 16 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.688 -4.888 19452 8221 1 16 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.504 2.396 19452 8222 1 16 . 1 1 36 36 ILE H H 36 9.320 9.320 7.479 1.841 19452 8223 1 16 . 1 1 37 37 LEU N N 37 129.600 129.600 120.476 9.124 19452 8224 1 16 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.190 1.080 19452 8225 1 16 . 1 1 37 37 LEU C C 37 175.500 175.500 176.866 -1.366 19452 8226 1 16 . 1 1 37 37 LEU CA C 37 54.000 54.000 56.648 -2.648 19452 8227 1 16 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.187 2.613 19452 8228 1 16 . 1 1 37 37 LEU H H 37 9.400 9.400 7.714 1.686 19452 8229 1 16 . 1 1 38 38 VAL N N 38 120.100 120.100 122.502 -2.402 19452 8230 1 16 . 1 1 38 38 VAL HA H 38 4.590 4.590 4.131 0.459 19452 8231 1 16 . 1 1 38 38 VAL C C 38 174.000 174.000 175.146 -1.146 19452 8232 1 16 . 1 1 38 38 VAL CA C 38 61.100 61.100 61.693 -0.593 19452 8233 1 16 . 1 1 38 38 VAL CB C 38 33.500 33.500 30.758 2.742 19452 8234 1 16 . 1 1 38 38 VAL H H 38 9.440 9.440 7.521 1.919 19452 8235 1 16 . 1 1 39 39 ASP N N 39 125.600 125.600 124.293 1.307 19452 8236 1 16 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.619 0.551 19452 8237 1 16 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.000 -2.100 19452 8238 1 16 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.104 -2.304 19452 8239 1 16 . 1 1 39 39 ASP H H 39 9.240 9.240 8.508 0.732 19452 8240 1 16 . 1 1 40 40 PHE N N 40 119.600 119.600 120.487 -0.887 19452 8241 1 16 . 1 1 40 40 PHE H H 40 8.860 8.860 7.871 0.989 19452 8242 1 16 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.351 0.059 19452 8243 1 16 . 1 1 53 53 PRO CA C 53 65.500 65.500 61.900 3.600 19452 8244 1 16 . 1 1 53 53 PRO CB C 53 30.800 30.800 31.893 -1.093 19452 8245 1 16 . 1 1 54 54 GLN N N 54 115.300 115.300 125.122 -9.822 19452 8246 1 16 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.120 0.080 19452 8247 1 16 . 1 1 54 54 GLN C C 54 179.400 179.400 173.995 5.405 19452 8248 1 16 . 1 1 54 54 GLN CA C 54 58.000 58.000 55.019 2.981 19452 8249 1 16 . 1 1 54 54 GLN H H 54 7.080 7.080 8.019 -0.939 19452 8250 1 16 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.428 -0.438 19452 8251 1 16 . 1 1 55 55 LEU C C 55 178.700 178.700 175.283 3.417 19452 8252 1 16 . 1 1 55 55 LEU CA C 55 57.300 57.300 55.741 1.559 19452 8253 1 16 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.914 -1.614 19452 8254 1 16 . 1 1 56 56 GLU N N 56 118.900 118.900 113.117 5.783 19452 8255 1 16 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.482 -0.642 19452 8256 1 16 . 1 1 56 56 GLU C C 56 179.100 179.100 176.168 2.932 19452 8257 1 16 . 1 1 56 56 GLU CA C 56 59.500 59.500 53.662 5.838 19452 8258 1 16 . 1 1 56 56 GLU CB C 56 29.000 29.000 31.947 -2.947 19452 8259 1 16 . 1 1 56 56 GLU H H 56 8.150 8.150 7.702 0.448 19452 8260 1 16 . 1 1 57 57 LYS N N 57 117.000 117.000 120.102 -3.102 19452 8261 1 16 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.306 -0.236 19452 8262 1 16 . 1 1 57 57 LYS C C 57 179.800 179.800 176.692 3.108 19452 8263 1 16 . 1 1 57 57 LYS CA C 57 59.000 59.000 57.246 1.754 19452 8264 1 16 . 1 1 57 57 LYS CB C 57 31.900 31.900 32.473 -0.573 19452 8265 1 16 . 1 1 57 57 LYS H H 57 7.160 7.160 8.353 -1.193 19452 8266 1 16 . 1 1 58 58 LEU N N 58 119.900 119.900 116.753 3.147 19452 8267 1 16 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.450 -0.250 19452 8268 1 16 . 1 1 58 58 LEU C C 58 178.700 178.700 176.007 2.693 19452 8269 1 16 . 1 1 58 58 LEU CA C 58 57.700 57.700 54.790 2.910 19452 8270 1 16 . 1 1 58 58 LEU CB C 58 41.700 41.700 43.103 -1.403 19452 8271 1 16 . 1 1 58 58 LEU H H 58 7.650 7.650 7.934 -0.284 19452 8272 1 16 . 1 1 59 59 ALA N N 59 120.700 120.700 125.713 -5.013 19452 8273 1 16 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.491 -0.631 19452 8274 1 16 . 1 1 59 59 ALA C C 59 180.000 180.000 177.175 2.825 19452 8275 1 16 . 1 1 59 59 ALA CA C 59 54.600 54.600 53.138 1.462 19452 8276 1 16 . 1 1 59 59 ALA CB C 59 18.000 18.000 19.654 -1.655 19452 8277 1 16 . 1 1 59 59 ALA H H 59 8.440 8.440 8.319 0.121 19452 8278 1 16 . 1 1 60 60 GLN N N 60 113.100 113.100 116.858 -3.758 19452 8279 1 16 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.262 -0.202 19452 8280 1 16 . 1 1 60 60 GLN C C 60 177.800 177.800 174.727 3.073 19452 8281 1 16 . 1 1 60 60 GLN CA C 60 57.500 57.500 55.714 1.786 19452 8282 1 16 . 1 1 60 60 GLN CB C 60 28.800 28.800 27.070 1.730 19452 8283 1 16 . 1 1 60 60 GLN H H 60 7.340 7.340 8.474 -1.134 19452 8284 1 16 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.220 -0.190 19452 8285 1 16 . 1 1 61 61 GLN C C 61 177.300 177.300 176.730 0.570 19452 8286 1 16 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.121 0.679 19452 8287 1 16 . 1 1 61 61 GLN CB C 61 29.000 29.000 28.998 0.001 19452 8288 1 16 . 1 1 62 62 TYR N N 62 117.300 117.300 118.966 -1.666 19452 8289 1 16 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.302 0.678 19452 8290 1 16 . 1 1 62 62 TYR C C 62 175.800 175.800 178.323 -2.523 19452 8291 1 16 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.374 -4.274 19452 8292 1 16 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.751 0.149 19452 8293 1 16 . 1 1 62 62 TYR H H 62 7.950 7.950 8.711 -0.761 19452 8294 1 16 . 1 1 63 63 THR N N 63 111.900 111.900 112.354 -0.454 19452 8295 1 16 . 1 1 63 63 THR HA H 63 4.190 4.190 4.059 0.131 19452 8296 1 16 . 1 1 63 63 THR C C 63 175.700 175.700 176.977 -1.277 19452 8297 1 16 . 1 1 63 63 THR CA C 63 64.600 64.600 65.476 -0.876 19452 8298 1 16 . 1 1 63 63 THR CB C 63 69.200 69.200 67.773 1.427 19452 8299 1 16 . 1 1 63 63 THR H H 63 7.110 7.110 7.635 -0.525 19452 8300 1 16 . 1 1 64 64 GLU N N 64 117.500 117.500 118.549 -1.049 19452 8301 1 16 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.969 0.331 19452 8302 1 16 . 1 1 64 64 GLU C C 64 177.400 177.400 178.853 -1.453 19452 8303 1 16 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.456 -1.456 19452 8304 1 16 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.144 0.956 19452 8305 1 16 . 1 1 64 64 GLU H H 64 8.610 8.610 7.804 0.806 19452 8306 1 16 . 1 1 65 65 ASN N N 65 113.300 113.300 118.770 -5.470 19452 8307 1 16 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.407 0.583 19452 8308 1 16 . 1 1 65 65 ASN C C 65 173.600 173.600 178.338 -4.738 19452 8309 1 16 . 1 1 65 65 ASN CA C 65 54.000 54.000 56.279 -2.279 19452 8310 1 16 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.485 2.615 19452 8311 1 16 . 1 1 65 65 ASN H H 65 8.050 8.050 8.117 -0.067 19452 8312 1 16 . 1 1 66 66 VAL N N 66 119.200 119.200 117.166 2.034 19452 8313 1 16 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.887 1.653 19452 8314 1 16 . 1 1 66 66 VAL C C 66 174.900 174.900 178.089 -3.189 19452 8315 1 16 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.369 -4.469 19452 8316 1 16 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.752 4.949 19452 8317 1 16 . 1 1 66 66 VAL H H 66 7.890 7.890 8.036 -0.146 19452 8318 1 16 . 1 1 67 67 LYS N N 67 127.600 127.600 119.785 7.815 19452 8319 1 16 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.886 0.674 19452 8320 1 16 . 1 1 67 67 LYS C C 67 173.600 173.600 178.588 -4.988 19452 8321 1 16 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.443 -5.343 19452 8322 1 16 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.690 4.510 19452 8323 1 16 . 1 1 67 67 LYS H H 67 8.700 8.700 8.201 0.499 19452 8324 1 16 . 1 1 68 68 ILE N N 68 123.200 123.200 116.071 7.129 19452 8325 1 16 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.886 0.694 19452 8326 1 16 . 1 1 68 68 ILE C C 68 173.900 173.900 179.151 -5.251 19452 8327 1 16 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.574 -3.074 19452 8328 1 16 . 1 1 68 68 ILE CB C 68 38.500 38.500 38.065 0.435 19452 8329 1 16 . 1 1 68 68 ILE H H 68 8.770 8.770 7.673 1.097 19452 8330 1 16 . 1 1 69 69 TYR N N 69 124.400 124.400 119.190 5.210 19452 8331 1 16 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.219 1.441 19452 8332 1 16 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.386 -4.787 19452 8333 1 16 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.881 4.519 19452 8334 1 16 . 1 1 69 69 TYR H H 69 9.060 9.060 7.532 1.528 19452 8335 1 16 . 1 1 73 73 ILE C C 73 177.400 177.400 173.731 3.669 19452 8336 1 16 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.087 1.513 19452 8337 1 16 . 1 1 74 74 GLU N N 74 121.800 121.800 119.302 2.498 19452 8338 1 16 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.873 -0.593 19452 8339 1 16 . 1 1 74 74 GLU C C 74 177.800 177.800 174.495 3.305 19452 8340 1 16 . 1 1 74 74 GLU CA C 74 58.900 58.900 54.825 4.075 19452 8341 1 16 . 1 1 74 74 GLU CB C 74 29.700 29.700 32.581 -2.881 19452 8342 1 16 . 1 1 74 74 GLU H H 74 8.560 8.560 7.788 0.772 19452 8343 1 16 . 1 1 75 75 ASP N N 75 114.200 114.200 125.982 -11.782 19452 8344 1 16 . 1 1 75 75 ASP C C 75 175.800 175.800 173.861 1.939 19452 8345 1 16 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.652 2.348 19452 8346 1 16 . 1 1 75 75 ASP CB C 75 42.800 42.800 44.852 -2.052 19452 8347 1 16 . 1 1 75 75 ASP H H 75 6.840 6.840 8.788 -1.948 19452 8348 1 16 . 1 1 76 76 ASN N N 76 118.400 118.400 120.315 -1.915 19452 8349 1 16 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.480 -0.460 19452 8350 1 16 . 1 1 76 76 ASN C C 76 174.000 174.000 173.370 0.630 19452 8351 1 16 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.166 1.534 19452 8352 1 16 . 1 1 76 76 ASN CB C 76 41.600 41.600 41.930 -0.330 19452 8353 1 16 . 1 1 76 76 ASN H H 76 7.600 7.600 8.254 -0.654 19452 8354 1 16 . 1 1 77 77 GLN N N 77 122.000 122.000 124.437 -2.437 19452 8355 1 16 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.835 -0.095 19452 8356 1 16 . 1 1 77 77 GLN C C 77 177.800 177.800 174.598 3.202 19452 8357 1 16 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.998 2.402 19452 8358 1 16 . 1 1 77 77 GLN CB C 77 30.600 30.600 32.732 -2.132 19452 8359 1 16 . 1 1 77 77 GLN H H 77 9.040 9.040 9.066 -0.026 19452 8360 1 16 . 1 1 78 78 ASP N N 78 125.900 125.900 119.992 5.908 19452 8361 1 16 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.471 -1.061 19452 8362 1 16 . 1 1 78 78 ASP C C 78 178.900 178.900 174.988 3.912 19452 8363 1 16 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.710 6.990 19452 8364 1 16 . 1 1 78 78 ASP CB C 78 40.000 40.000 44.740 -4.740 19452 8365 1 16 . 1 1 78 78 ASP H H 78 10.210 10.210 8.378 1.832 19452 8366 1 16 . 1 1 79 79 VAL N N 79 123.800 123.800 117.451 6.349 19452 8367 1 16 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.545 -1.055 19452 8368 1 16 . 1 1 79 79 VAL C C 79 178.400 178.400 175.975 2.425 19452 8369 1 16 . 1 1 79 79 VAL CA C 79 66.500 66.500 59.878 6.622 19452 8370 1 16 . 1 1 79 79 VAL CB C 79 30.500 30.500 33.271 -2.771 19452 8371 1 16 . 1 1 79 79 VAL H H 79 8.130 8.130 8.391 -0.261 19452 8372 1 16 . 1 1 80 80 ALA N N 80 121.800 121.800 130.215 -8.415 19452 8373 1 16 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.348 -0.838 19452 8374 1 16 . 1 1 80 80 ALA C C 80 179.600 179.600 176.437 3.163 19452 8375 1 16 . 1 1 80 80 ALA CA C 80 54.900 54.900 50.955 3.945 19452 8376 1 16 . 1 1 80 80 ALA CB C 80 17.300 17.300 18.243 -0.943 19452 8377 1 16 . 1 1 80 80 ALA H H 80 9.250 9.250 8.615 0.635 19452 8378 1 16 . 1 1 81 81 THR N N 81 113.200 113.200 120.025 -6.825 19452 8379 1 16 . 1 1 81 81 THR HA H 81 3.960 3.960 4.177 -0.217 19452 8380 1 16 . 1 1 81 81 THR C C 81 177.700 177.700 173.935 3.765 19452 8381 1 16 . 1 1 81 81 THR CA C 81 66.400 66.400 62.146 4.254 19452 8382 1 16 . 1 1 81 81 THR CB C 81 68.500 68.500 68.469 0.031 19452 8383 1 16 . 1 1 81 81 THR H H 81 7.990 7.990 7.722 0.268 19452 8384 1 16 . 1 1 82 82 GLN N N 82 123.800 123.800 127.081 -3.281 19452 8385 1 16 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.259 -0.409 19452 8386 1 16 . 1 1 82 82 GLN C C 82 177.900 177.900 176.127 1.773 19452 8387 1 16 . 1 1 82 82 GLN CA C 82 58.900 58.900 58.091 0.809 19452 8388 1 16 . 1 1 82 82 GLN CB C 82 28.000 28.000 29.578 -1.578 19452 8389 1 16 . 1 1 82 82 GLN H H 82 8.170 8.170 7.907 0.263 19452 8390 1 16 . 1 1 83 83 TYR N N 83 112.900 112.900 114.544 -1.644 19452 8391 1 16 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.616 -0.186 19452 8392 1 16 . 1 1 83 83 TYR C C 83 175.300 175.300 174.972 0.328 19452 8393 1 16 . 1 1 83 83 TYR CA C 83 59.000 59.000 57.735 1.265 19452 8394 1 16 . 1 1 83 83 TYR CB C 83 38.500 38.500 39.181 -0.681 19452 8395 1 16 . 1 1 83 83 TYR H H 83 7.780 7.780 8.237 -0.457 19452 8396 1 16 . 1 1 84 84 GLY N N 84 110.200 110.200 108.021 2.179 19452 8397 1 16 . 1 1 84 84 GLY C C 84 175.300 175.300 172.564 2.736 19452 8398 1 16 . 1 1 84 84 GLY CA C 84 47.100 47.100 45.502 1.598 19452 8399 1 16 . 1 1 84 84 GLY H H 84 7.670 7.670 7.706 -0.036 19452 8400 1 16 . 1 1 85 85 VAL N N 85 121.300 121.300 121.330 -0.030 19452 8401 1 16 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.364 -0.494 19452 8402 1 16 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.676 1.324 19452 8403 1 16 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.397 -2.897 19452 8404 1 16 . 1 1 85 85 VAL H H 85 8.500 8.500 8.300 0.200 19452 8405 1 16 . 1 1 90 90 THR HA H 90 5.170 5.170 3.936 1.234 19452 8406 1 16 . 1 1 90 90 THR C C 90 172.300 172.300 176.499 -4.199 19452 8407 1 16 . 1 1 90 90 THR CA C 90 63.500 63.500 64.622 -1.122 19452 8408 1 16 . 1 1 90 90 THR CB C 90 73.300 73.300 68.544 4.756 19452 8409 1 16 . 1 1 91 91 ILE N N 91 126.600 126.600 116.107 10.493 19452 8410 1 16 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.052 1.538 19452 8411 1 16 . 1 1 91 91 ILE C C 91 175.900 175.900 176.684 -0.784 19452 8412 1 16 . 1 1 91 91 ILE CA C 91 58.400 58.400 60.878 -2.478 19452 8413 1 16 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.332 1.668 19452 8414 1 16 . 1 1 91 91 ILE H H 91 9.340 9.340 7.411 1.929 19452 8415 1 16 . 1 1 92 92 LEU N N 92 125.700 125.700 120.617 5.083 19452 8416 1 16 . 1 1 92 92 LEU HA H 92 5.120 5.120 4.120 1.000 19452 8417 1 16 . 1 1 92 92 LEU C C 92 176.100 176.100 175.574 0.526 19452 8418 1 16 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.980 -1.881 19452 8419 1 16 . 1 1 92 92 LEU H H 92 9.120 9.120 7.855 1.265 19452 8420 1 16 . 1 1 93 93 MET N N 93 117.700 117.700 118.419 -0.719 19452 8421 1 16 . 1 1 93 93 MET HA H 93 5.860 5.860 4.880 0.980 19452 8422 1 16 . 1 1 93 93 MET C C 93 174.400 174.400 175.614 -1.214 19452 8423 1 16 . 1 1 93 93 MET CA C 93 54.400 54.400 53.378 1.022 19452 8424 1 16 . 1 1 93 93 MET CB C 93 34.100 34.100 36.340 -2.240 19452 8425 1 16 . 1 1 93 93 MET H H 93 8.080 8.080 8.015 0.065 19452 8426 1 16 . 1 1 94 94 PHE N N 94 123.300 123.300 125.380 -2.080 19452 8427 1 16 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.462 1.108 19452 8428 1 16 . 1 1 94 94 PHE C C 94 174.800 174.800 176.049 -1.249 19452 8429 1 16 . 1 1 94 94 PHE CA C 94 55.900 55.900 58.010 -2.110 19452 8430 1 16 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.703 5.097 19452 8431 1 16 . 1 1 94 94 PHE H H 94 9.990 9.990 8.416 1.574 19452 8432 1 16 . 1 1 95 95 LYS N N 95 117.100 117.100 122.371 -5.271 19452 8433 1 16 . 1 1 95 95 LYS C C 95 176.500 176.500 174.910 1.590 19452 8434 1 16 . 1 1 95 95 LYS CA C 95 57.500 57.500 56.227 1.273 19452 8435 1 16 . 1 1 95 95 LYS CB C 95 37.200 37.200 30.465 6.735 19452 8436 1 16 . 1 1 95 95 LYS H H 95 8.630 8.630 8.639 -0.009 19452 8437 1 16 . 1 1 96 96 ASN N N 96 130.400 130.400 113.869 16.531 19452 8438 1 16 . 1 1 96 96 ASN HA H 96 4.820 4.820 5.297 -0.477 19452 8439 1 16 . 1 1 96 96 ASN C C 96 175.900 175.900 173.102 2.798 19452 8440 1 16 . 1 1 96 96 ASN CA C 96 54.500 54.500 49.746 4.754 19452 8441 1 16 . 1 1 96 96 ASN CB C 96 36.900 36.900 41.321 -4.421 19452 8442 1 16 . 1 1 96 96 ASN H H 96 10.190 10.190 7.835 2.355 19452 8443 1 16 . 1 1 97 97 GLY C C 97 173.700 173.700 173.482 0.218 19452 8444 1 16 . 1 1 97 97 GLY CA C 97 46.000 46.000 44.932 1.068 19452 8445 1 16 . 1 1 98 98 LYS N N 98 120.300 120.300 123.313 -3.013 19452 8446 1 16 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.721 0.019 19452 8447 1 16 . 1 1 98 98 LYS C C 98 175.500 175.500 175.302 0.198 19452 8448 1 16 . 1 1 98 98 LYS CA C 98 54.700 54.700 56.144 -1.444 19452 8449 1 16 . 1 1 98 98 LYS CB C 98 34.200 34.200 35.970 -1.770 19452 8450 1 16 . 1 1 98 98 LYS H H 98 7.840 7.840 8.428 -0.588 19452 8451 1 16 . 1 1 99 99 LYS N N 99 124.900 124.900 125.164 -0.264 19452 8452 1 16 . 1 1 99 99 LYS HA H 99 3.610 3.610 4.697 -1.087 19452 8453 1 16 . 1 1 99 99 LYS C C 99 176.300 176.300 174.830 1.470 19452 8454 1 16 . 1 1 99 99 LYS CA C 99 56.600 56.600 54.827 1.773 19452 8455 1 16 . 1 1 99 99 LYS CB C 99 31.500 31.500 34.727 -3.227 19452 8456 1 16 . 1 1 99 99 LYS H H 99 8.880 8.880 8.944 -0.064 19452 8457 1 16 . 1 1 100 100 LEU N N 100 128.800 128.800 125.241 3.559 19452 8458 1 16 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.771 -0.331 19452 8459 1 16 . 1 1 100 100 LEU C C 100 177.400 177.400 175.752 1.648 19452 8460 1 16 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.242 2.058 19452 8461 1 16 . 1 1 100 100 LEU CB C 100 44.100 44.100 45.034 -0.934 19452 8462 1 16 . 1 1 100 100 LEU H H 100 9.320 9.320 8.329 0.991 19452 8463 1 16 . 1 1 101 101 SER N N 101 109.000 109.000 118.489 -9.489 19452 8464 1 16 . 1 1 101 101 SER HA H 101 4.550 4.550 4.690 -0.140 19452 8465 1 16 . 1 1 101 101 SER C C 101 172.400 172.400 173.305 -0.905 19452 8466 1 16 . 1 1 101 101 SER CA C 101 57.200 57.200 58.440 -1.240 19452 8467 1 16 . 1 1 101 101 SER CB C 101 64.400 64.400 64.050 0.350 19452 8468 1 16 . 1 1 101 101 SER H H 101 7.260 7.260 8.852 -1.592 19452 8469 1 16 . 1 1 102 102 GLN N N 102 119.900 119.900 122.694 -2.794 19452 8470 1 16 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.437 -0.217 19452 8471 1 16 . 1 1 102 102 GLN C C 102 173.800 173.800 175.142 -1.342 19452 8472 1 16 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.789 0.611 19452 8473 1 16 . 1 1 102 102 GLN CB C 102 31.800 31.800 33.191 -1.391 19452 8474 1 16 . 1 1 102 102 GLN H H 102 8.230 8.230 8.688 -0.458 19452 8475 1 16 . 1 1 103 103 VAL N N 103 123.800 123.800 120.699 3.101 19452 8476 1 16 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.437 -0.107 19452 8477 1 16 . 1 1 103 103 VAL C C 103 174.600 174.600 175.351 -0.751 19452 8478 1 16 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.507 -0.807 19452 8479 1 16 . 1 1 103 103 VAL CB C 103 34.600 34.600 34.788 -0.188 19452 8480 1 16 . 1 1 103 103 VAL H H 103 9.310 9.310 9.023 0.287 19452 8481 1 16 . 1 1 104 104 ILE N N 104 129.400 129.400 127.881 1.519 19452 8482 1 16 . 1 1 104 104 ILE C C 104 176.400 176.400 175.888 0.512 19452 8483 1 16 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.930 -1.430 19452 8484 1 16 . 1 1 104 104 ILE CB C 104 38.700 38.700 37.299 1.401 19452 8485 1 16 . 1 1 104 104 ILE H H 104 8.970 8.970 8.942 0.028 19452 8486 1 16 . 1 1 105 105 GLY N N 105 115.400 115.400 103.811 11.589 19452 8487 1 16 . 1 1 105 105 GLY C C 105 172.700 172.700 173.217 -0.517 19452 8488 1 16 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.216 -1.516 19452 8489 1 16 . 1 1 105 105 GLY H H 105 8.500 8.500 8.579 -0.079 19452 8490 1 16 . 1 1 106 106 ALA N N 106 120.200 120.200 122.981 -2.781 19452 8491 1 16 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.756 -0.376 19452 8492 1 16 . 1 1 106 106 ALA C C 106 176.300 176.300 175.731 0.569 19452 8493 1 16 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.649 -0.149 19452 8494 1 16 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.202 -3.802 19452 8495 1 16 . 1 1 106 106 ALA H H 106 8.360 8.360 7.851 0.509 19452 8496 1 16 . 1 1 107 107 ASP N N 107 121.100 121.100 123.926 -2.826 19452 8497 1 16 . 1 1 107 107 ASP HA H 107 4.770 4.770 4.969 -0.199 19452 8498 1 16 . 1 1 107 107 ASP C C 107 176.600 176.600 175.512 1.088 19452 8499 1 16 . 1 1 107 107 ASP CA C 107 52.600 52.600 54.378 -1.778 19452 8500 1 16 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.149 -0.549 19452 8501 1 16 . 1 1 107 107 ASP H H 107 7.610 7.610 8.707 -1.097 19452 8502 1 16 . 1 1 108 108 ILE N N 108 125.700 125.700 122.493 3.207 19452 8503 1 16 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.367 -0.357 19452 8504 1 16 . 1 1 108 108 ILE C C 108 176.400 176.400 176.347 0.053 19452 8505 1 16 . 1 1 108 108 ILE CA C 108 60.700 60.700 61.475 -0.775 19452 8506 1 16 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.805 -0.505 19452 8507 1 16 . 1 1 108 108 ILE H H 108 8.550 8.550 8.668 -0.118 19452 8508 1 16 . 1 1 109 109 SER N N 109 117.700 117.700 112.033 5.667 19452 8509 1 16 . 1 1 109 109 SER HA H 109 4.180 4.180 4.614 -0.434 19452 8510 1 16 . 1 1 109 109 SER C C 109 177.300 177.300 172.210 5.090 19452 8511 1 16 . 1 1 109 109 SER CA C 109 61.700 61.700 57.853 3.847 19452 8512 1 16 . 1 1 109 109 SER CB C 109 62.100 62.100 65.265 -3.165 19452 8513 1 16 . 1 1 109 109 SER H H 109 8.330 8.330 7.572 0.758 19452 8514 1 16 . 1 1 110 110 LYS N N 110 123.200 123.200 120.776 2.424 19452 8515 1 16 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.777 -0.557 19452 8516 1 16 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.383 2.717 19452 8517 1 16 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.122 -1.822 19452 8518 1 16 . 1 1 110 110 LYS H H 110 7.480 7.480 8.489 -1.009 19452 8519 1 16 . 1 1 111 111 ILE N N 111 119.300 119.300 125.319 -6.019 19452 8520 1 16 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.246 -0.216 19452 8521 1 16 . 1 1 111 111 ILE C C 111 177.200 177.200 174.789 2.411 19452 8522 1 16 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.889 0.211 19452 8523 1 16 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.653 -1.853 19452 8524 1 16 . 1 1 111 111 ILE H H 111 7.640 7.640 8.082 -0.442 19452 8525 1 16 . 1 1 112 112 ILE N N 112 118.700 118.700 125.279 -6.579 19452 8526 1 16 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.455 -1.025 19452 8527 1 16 . 1 1 112 112 ILE C C 112 177.700 177.700 176.117 1.583 19452 8528 1 16 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.646 5.454 19452 8529 1 16 . 1 1 112 112 ILE CB C 112 38.500 38.500 39.315 -0.815 19452 8530 1 16 . 1 1 112 112 ILE H H 112 8.410 8.410 8.358 0.052 19452 8531 1 16 . 1 1 113 113 SER N N 113 113.800 113.800 123.455 -9.655 19452 8532 1 16 . 1 1 113 113 SER HA H 113 4.200 4.200 4.366 -0.166 19452 8533 1 16 . 1 1 113 113 SER C C 113 177.200 177.200 172.638 4.562 19452 8534 1 16 . 1 1 113 113 SER CA C 113 62.000 62.000 57.788 4.212 19452 8535 1 16 . 1 1 113 113 SER H H 113 7.920 7.920 8.257 -0.337 19452 8536 1 16 . 1 1 114 114 GLU N N 114 119.400 119.400 121.815 -2.415 19452 8537 1 16 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.750 -0.600 19452 8538 1 16 . 1 1 114 114 GLU C C 114 179.900 179.900 175.603 4.297 19452 8539 1 16 . 1 1 114 114 GLU CA C 114 58.500 58.500 55.811 2.689 19452 8540 1 16 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.122 -2.822 19452 8541 1 16 . 1 1 114 114 GLU H H 114 8.010 8.010 8.531 -0.521 19452 8542 1 16 . 1 1 115 115 ILE N N 115 121.700 121.700 124.125 -2.425 19452 8543 1 16 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.439 -1.059 19452 8544 1 16 . 1 1 115 115 ILE C C 115 178.100 178.100 175.131 2.969 19452 8545 1 16 . 1 1 115 115 ILE CA C 115 66.000 66.000 61.033 4.967 19452 8546 1 16 . 1 1 115 115 ILE CB C 115 37.700 37.700 38.918 -1.218 19452 8547 1 16 . 1 1 115 115 ILE H H 115 8.370 8.370 8.136 0.234 19452 8548 1 16 . 1 1 116 116 ASN N N 116 116.100 116.100 123.606 -7.506 19452 8549 1 16 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.383 -0.053 19452 8550 1 16 . 1 1 116 116 ASN C C 116 177.900 177.900 176.016 1.884 19452 8551 1 16 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.400 0.500 19452 8552 1 16 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.944 -1.344 19452 8553 1 16 . 1 1 116 116 ASN H H 116 8.230 8.230 8.455 -0.225 19452 8554 1 16 . 1 1 117 117 ASN N N 117 115.400 115.400 115.557 -0.157 19452 8555 1 16 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.414 0.216 19452 8556 1 16 . 1 1 117 117 ASN C C 117 176.200 176.200 176.630 -0.430 19452 8557 1 16 . 1 1 117 117 ASN CA C 117 54.300 54.300 55.911 -1.611 19452 8558 1 16 . 1 1 117 117 ASN CB C 117 39.100 39.100 38.064 1.036 19452 8559 1 16 . 1 1 117 117 ASN H H 117 7.930 7.930 8.564 -0.634 19452 8560 1 16 . 1 1 118 118 ASN N N 118 115.400 115.400 120.129 -4.729 19452 8561 1 16 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.593 0.417 19452 8562 1 16 . 1 1 118 118 ASN C C 118 174.400 174.400 177.438 -3.038 19452 8563 1 16 . 1 1 118 118 ASN CA C 118 54.200 54.200 54.989 -0.789 19452 8564 1 16 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.002 4.198 19452 8565 1 16 . 1 1 118 118 ASN H H 118 7.710 7.710 7.573 0.137 19452 8566 1 16 . 1 1 119 119 ILE N N 119 117.300 117.300 118.016 -0.716 19452 8567 1 16 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.779 0.541 19452 8568 1 16 . 1 1 119 119 ILE C C 119 174.900 174.900 177.739 -2.839 19452 8569 1 16 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.931 -2.731 19452 8570 1 16 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.521 1.679 19452 8571 1 16 . 1 1 119 119 ILE H H 119 7.520 7.520 8.014 -0.494 19452 8572 1 16 . 1 1 120 120 ASN N N 120 124.900 124.900 114.757 10.143 19452 8573 1 16 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.618 -0.108 19452 8574 1 16 . 1 1 120 120 ASN CA C 120 55.000 55.000 55.729 -0.729 19452 8575 1 16 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.803 2.397 19452 8576 1 16 . 1 1 120 120 ASN H H 120 7.960 7.960 8.083 -0.123 19452 8577 1 17 . 1 1 2 2 GLY N N 2 109.900 109.900 107.910 1.990 19452 8578 1 17 . 1 1 2 2 GLY C C 2 174.400 174.400 173.955 0.445 19452 8579 1 17 . 1 1 2 2 GLY CA C 2 45.600 45.600 45.421 0.179 19452 8580 1 17 . 1 1 2 2 GLY H H 2 8.480 8.480 8.544 -0.064 19452 8581 1 17 . 1 1 3 3 THR N N 3 113.700 113.700 111.007 2.693 19452 8582 1 17 . 1 1 3 3 THR C C 3 174.900 174.900 173.732 1.168 19452 8583 1 17 . 1 1 3 3 THR CA C 3 62.400 62.400 60.573 1.827 19452 8584 1 17 . 1 1 3 3 THR CB C 3 70.000 70.000 70.297 -0.297 19452 8585 1 17 . 1 1 3 3 THR H H 3 8.090 8.090 7.678 0.412 19452 8586 1 17 . 1 1 4 4 LEU N N 4 124.100 124.100 115.997 8.103 19452 8587 1 17 . 1 1 4 4 LEU C C 4 177.600 177.600 175.811 1.789 19452 8588 1 17 . 1 1 4 4 LEU CA C 4 55.700 55.700 55.300 0.400 19452 8589 1 17 . 1 1 4 4 LEU CB C 4 42.300 42.300 39.705 2.595 19452 8590 1 17 . 1 1 4 4 LEU H H 4 8.400 8.400 8.482 -0.082 19452 8591 1 17 . 1 1 5 5 GLU N N 5 121.600 121.600 118.464 3.136 19452 8592 1 17 . 1 1 5 5 GLU C C 5 176.500 176.500 176.562 -0.062 19452 8593 1 17 . 1 1 5 5 GLU CA C 5 57.000 57.000 57.234 -0.234 19452 8594 1 17 . 1 1 5 5 GLU CB C 5 29.900 29.900 30.889 -0.989 19452 8595 1 17 . 1 1 5 5 GLU H H 5 8.430 8.430 8.449 -0.019 19452 8596 1 17 . 1 1 6 6 ALA N N 6 124.500 124.500 122.490 2.010 19452 8597 1 17 . 1 1 6 6 ALA C C 6 177.900 177.900 177.196 0.704 19452 8598 1 17 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.895 1.005 19452 8599 1 17 . 1 1 6 6 ALA CB C 6 19.200 19.200 20.157 -0.956 19452 8600 1 17 . 1 1 6 6 ALA H H 6 8.330 8.330 8.257 0.073 19452 8601 1 17 . 1 1 7 7 GLN N N 7 119.200 119.200 119.602 -0.402 19452 8602 1 17 . 1 1 7 7 GLN C C 7 176.400 176.400 174.358 2.042 19452 8603 1 17 . 1 1 7 7 GLN CA C 7 56.000 56.000 55.287 0.713 19452 8604 1 17 . 1 1 7 7 GLN CB C 7 29.200 29.200 31.235 -2.035 19452 8605 1 17 . 1 1 7 7 GLN H H 7 8.400 8.400 8.579 -0.179 19452 8606 1 17 . 1 1 8 8 THR N N 8 115.100 115.100 114.451 0.649 19452 8607 1 17 . 1 1 8 8 THR C C 8 174.500 174.500 173.470 1.030 19452 8608 1 17 . 1 1 8 8 THR CA C 8 62.300 62.300 61.709 0.591 19452 8609 1 17 . 1 1 8 8 THR CB C 8 70.000 70.000 69.341 0.659 19452 8610 1 17 . 1 1 8 8 THR H H 8 8.210 8.210 7.838 0.372 19452 8611 1 17 . 1 1 9 9 GLN N N 9 122.300 122.300 120.886 1.414 19452 8612 1 17 . 1 1 9 9 GLN C C 9 176.100 176.100 174.173 1.927 19452 8613 1 17 . 1 1 9 9 GLN CA C 9 55.900 55.900 55.642 0.258 19452 8614 1 17 . 1 1 9 9 GLN CB C 9 29.500 29.500 30.274 -0.774 19452 8615 1 17 . 1 1 9 9 GLN H H 9 8.470 8.470 8.017 0.453 19452 8616 1 17 . 1 1 10 10 GLY N N 10 110.300 110.300 107.883 2.417 19452 8617 1 17 . 1 1 10 10 GLY CA C 10 44.400 44.400 45.094 -0.694 19452 8618 1 17 . 1 1 10 10 GLY H H 10 8.360 8.360 8.818 -0.458 19452 8619 1 17 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.568 -0.128 19452 8620 1 17 . 1 1 11 11 PRO C C 11 177.800 177.800 177.311 0.489 19452 8621 1 17 . 1 1 11 11 PRO CA C 11 63.300 63.300 61.537 1.763 19452 8622 1 17 . 1 1 11 11 PRO CB C 11 32.000 32.000 33.520 -1.520 19452 8623 1 17 . 1 1 12 12 GLY N N 12 109.600 109.600 110.878 -1.278 19452 8624 1 17 . 1 1 12 12 GLY CA C 12 44.900 44.900 44.593 0.308 19452 8625 1 17 . 1 1 12 12 GLY H H 12 8.600 8.600 8.499 0.101 19452 8626 1 17 . 1 1 13 13 SER N N 13 114.700 114.700 115.304 -0.604 19452 8627 1 17 . 1 1 13 13 SER HA H 13 4.510 4.510 4.558 -0.048 19452 8628 1 17 . 1 1 13 13 SER C C 13 175.300 175.300 174.172 1.128 19452 8629 1 17 . 1 1 13 13 SER CA C 13 57.800 57.800 57.531 0.269 19452 8630 1 17 . 1 1 13 13 SER CB C 13 62.300 62.300 64.533 -2.233 19452 8631 1 17 . 1 1 13 13 SER H H 13 8.130 8.130 7.794 0.336 19452 8632 1 17 . 1 1 14 14 MET N N 14 124.300 124.300 121.191 3.109 19452 8633 1 17 . 1 1 14 14 MET HA H 14 4.470 4.470 4.693 -0.223 19452 8634 1 17 . 1 1 14 14 MET CA C 14 55.700 55.700 55.067 0.633 19452 8635 1 17 . 1 1 14 14 MET CB C 14 32.700 32.700 32.798 -0.098 19452 8636 1 17 . 1 1 14 14 MET H H 14 9.430 9.430 8.388 1.042 19452 8637 1 17 . 1 1 15 15 ILE N N 15 122.600 122.600 122.563 0.037 19452 8638 1 17 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.351 -0.341 19452 8639 1 17 . 1 1 15 15 ILE C C 15 175.300 175.300 175.171 0.129 19452 8640 1 17 . 1 1 15 15 ILE CA C 15 60.700 60.700 60.278 0.422 19452 8641 1 17 . 1 1 15 15 ILE CB C 15 37.500 37.500 38.573 -1.073 19452 8642 1 17 . 1 1 15 15 ILE H H 15 8.520 8.520 8.390 0.130 19452 8643 1 17 . 1 1 16 16 GLU N N 16 129.300 129.300 118.932 10.368 19452 8644 1 17 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.720 -0.350 19452 8645 1 17 . 1 1 16 16 GLU C C 16 175.500 175.500 175.083 0.417 19452 8646 1 17 . 1 1 16 16 GLU CA C 16 56.100 56.100 55.158 0.942 19452 8647 1 17 . 1 1 16 16 GLU CB C 16 31.400 31.400 31.198 0.202 19452 8648 1 17 . 1 1 16 16 GLU H H 16 8.220 8.220 7.621 0.599 19452 8649 1 17 . 1 1 17 17 GLN N N 17 124.500 124.500 121.681 2.819 19452 8650 1 17 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.692 0.428 19452 8651 1 17 . 1 1 17 17 GLN C C 17 176.000 176.000 175.021 0.979 19452 8652 1 17 . 1 1 17 17 GLN CA C 17 55.200 55.200 53.953 1.247 19452 8653 1 17 . 1 1 17 17 GLN CB C 17 30.400 30.400 31.678 -1.278 19452 8654 1 17 . 1 1 17 17 GLN H H 17 8.810 8.810 8.225 0.585 19452 8655 1 17 . 1 1 18 18 ILE N N 18 118.700 118.700 119.805 -1.105 19452 8656 1 17 . 1 1 18 18 ILE C C 18 174.400 174.400 173.815 0.585 19452 8657 1 17 . 1 1 18 18 ILE CA C 18 59.600 59.600 60.871 -1.271 19452 8658 1 17 . 1 1 18 18 ILE H H 18 8.840 8.840 8.220 0.620 19452 8659 1 17 . 1 1 19 19 GLY C C 19 174.800 174.800 174.363 0.437 19452 8660 1 17 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.538 -1.438 19452 8661 1 17 . 1 1 20 20 ASP N N 20 119.100 119.100 118.784 0.316 19452 8662 1 17 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.626 -0.036 19452 8663 1 17 . 1 1 20 20 ASP C C 20 179.900 179.900 175.251 4.649 19452 8664 1 17 . 1 1 20 20 ASP CA C 20 58.000 58.000 54.616 3.384 19452 8665 1 17 . 1 1 20 20 ASP H H 20 8.090 8.090 8.208 -0.118 19452 8666 1 17 . 1 1 21 21 SER N N 21 112.000 112.000 113.827 -1.827 19452 8667 1 17 . 1 1 21 21 SER HA H 21 4.320 4.320 3.993 0.327 19452 8668 1 17 . 1 1 21 21 SER CA C 21 60.700 60.700 59.299 1.401 19452 8669 1 17 . 1 1 21 21 SER CB C 21 62.500 62.500 61.586 0.914 19452 8670 1 17 . 1 1 21 21 SER H H 21 8.750 8.750 8.333 0.417 19452 8671 1 17 . 1 1 22 22 GLU N N 22 119.000 119.000 119.590 -0.590 19452 8672 1 17 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.189 0.391 19452 8673 1 17 . 1 1 22 22 GLU C C 22 176.000 176.000 176.310 -0.310 19452 8674 1 17 . 1 1 22 22 GLU CA C 22 56.200 56.200 58.412 -2.212 19452 8675 1 17 . 1 1 22 22 GLU CB C 22 31.600 31.600 30.500 1.100 19452 8676 1 17 . 1 1 22 22 GLU H H 22 7.660 7.660 7.877 -0.217 19452 8677 1 17 . 1 1 23 23 PHE N N 23 120.900 120.900 117.754 3.146 19452 8678 1 17 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.442 -0.872 19452 8679 1 17 . 1 1 23 23 PHE C C 23 176.500 176.500 175.477 1.023 19452 8680 1 17 . 1 1 23 23 PHE CA C 23 63.100 63.100 56.767 6.333 19452 8681 1 17 . 1 1 23 23 PHE CB C 23 40.700 40.700 38.627 2.072 19452 8682 1 17 . 1 1 23 23 PHE H H 23 7.490 7.490 7.561 -0.071 19452 8683 1 17 . 1 1 24 24 ASP N N 24 118.500 118.500 125.039 -6.539 19452 8684 1 17 . 1 1 24 24 ASP HA H 24 4.630 4.630 5.055 -0.425 19452 8685 1 17 . 1 1 24 24 ASP C C 24 178.400 178.400 175.137 3.263 19452 8686 1 17 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.473 4.227 19452 8687 1 17 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.925 -3.725 19452 8688 1 17 . 1 1 24 24 ASP H H 24 8.900 8.900 8.907 -0.007 19452 8689 1 17 . 1 1 25 25 ASN N N 25 117.200 117.200 118.550 -1.350 19452 8690 1 17 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.894 -0.694 19452 8691 1 17 . 1 1 25 25 ASN C C 25 176.400 176.400 175.159 1.241 19452 8692 1 17 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.709 3.291 19452 8693 1 17 . 1 1 25 25 ASN CB C 25 39.000 39.000 39.610 -0.610 19452 8694 1 17 . 1 1 26 26 LYS N N 26 112.800 112.800 115.852 -3.052 19452 8695 1 17 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.839 -0.839 19452 8696 1 17 . 1 1 26 26 LYS C C 26 175.500 175.500 175.294 0.206 19452 8697 1 17 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.365 1.935 19452 8698 1 17 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.546 -2.546 19452 8699 1 17 . 1 1 26 26 LYS H H 26 7.730 7.730 8.772 -1.042 19452 8700 1 17 . 1 1 27 27 VAL N N 27 114.500 114.500 117.060 -2.560 19452 8701 1 17 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.440 -0.400 19452 8702 1 17 . 1 1 27 27 VAL C C 27 177.900 177.900 175.600 2.300 19452 8703 1 17 . 1 1 27 27 VAL CA C 27 63.700 63.700 60.815 2.885 19452 8704 1 17 . 1 1 27 27 VAL H H 27 7.680 7.680 8.325 -0.645 19452 8705 1 17 . 1 1 28 28 THR N N 28 110.000 110.000 114.247 -4.247 19452 8706 1 17 . 1 1 28 28 THR HA H 28 3.710 3.710 3.892 -0.182 19452 8707 1 17 . 1 1 28 28 THR C C 28 175.800 175.800 176.227 -0.427 19452 8708 1 17 . 1 1 28 28 THR CA C 28 65.200 65.200 64.849 0.351 19452 8709 1 17 . 1 1 28 28 THR CB C 28 68.100 68.100 68.406 -0.306 19452 8710 1 17 . 1 1 28 28 THR H H 28 7.010 7.010 8.581 -1.571 19452 8711 1 17 . 1 1 29 29 SER N N 29 113.600 113.600 112.993 0.607 19452 8712 1 17 . 1 1 29 29 SER HA H 29 4.480 4.480 4.321 0.159 19452 8713 1 17 . 1 1 29 29 SER C C 29 174.200 174.200 175.775 -1.575 19452 8714 1 17 . 1 1 29 29 SER CA C 29 58.500 58.500 60.002 -1.502 19452 8715 1 17 . 1 1 29 29 SER CB C 29 63.300 63.300 63.103 0.197 19452 8716 1 17 . 1 1 29 29 SER H H 29 8.350 8.350 8.035 0.315 19452 8717 1 17 . 1 1 30 30 CYS N N 30 120.000 120.000 119.659 0.341 19452 8718 1 17 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.398 -0.278 19452 8719 1 17 . 1 1 30 30 CYS C C 30 174.200 174.200 176.135 -1.935 19452 8720 1 17 . 1 1 30 30 CYS CA C 30 69.700 69.700 59.306 10.394 19452 8721 1 17 . 1 1 30 30 CYS CB C 30 27.800 27.800 26.689 1.111 19452 8722 1 17 . 1 1 30 30 CYS H H 30 6.810 6.810 7.257 -0.447 19452 8723 1 17 . 1 1 31 31 ASN N N 31 124.300 124.300 120.855 3.445 19452 8724 1 17 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.224 0.886 19452 8725 1 17 . 1 1 31 31 ASN C C 31 174.900 174.900 176.161 -1.261 19452 8726 1 17 . 1 1 31 31 ASN CA C 31 52.400 52.400 57.147 -4.747 19452 8727 1 17 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.386 0.114 19452 8728 1 17 . 1 1 31 31 ASN H H 31 8.760 8.760 8.104 0.656 19452 8729 1 17 . 1 1 32 32 ASP N N 32 119.000 119.000 116.667 2.333 19452 8730 1 17 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.844 0.716 19452 8731 1 17 . 1 1 32 32 ASP C C 32 176.600 176.600 178.731 -2.131 19452 8732 1 17 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.431 -2.931 19452 8733 1 17 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.595 2.405 19452 8734 1 17 . 1 1 32 32 ASP H H 32 7.720 7.720 8.726 -1.006 19452 8735 1 17 . 1 1 33 33 ASN N N 33 115.400 115.400 118.849 -3.449 19452 8736 1 17 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.443 -0.273 19452 8737 1 17 . 1 1 33 33 ASN C C 33 173.700 173.700 176.461 -2.761 19452 8738 1 17 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.651 -1.351 19452 8739 1 17 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.753 -0.953 19452 8740 1 17 . 1 1 33 33 ASN H H 33 9.750 9.750 7.964 1.786 19452 8741 1 17 . 1 1 34 34 ILE N N 34 120.700 120.700 115.348 5.352 19452 8742 1 17 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.290 -0.270 19452 8743 1 17 . 1 1 34 34 ILE C C 34 175.500 175.500 176.772 -1.272 19452 8744 1 17 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.099 -2.699 19452 8745 1 17 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.446 -1.946 19452 8746 1 17 . 1 1 34 34 ILE H H 34 7.850 7.850 7.620 0.230 19452 8747 1 17 . 1 1 35 35 LEU N N 35 128.400 128.400 120.590 7.810 19452 8748 1 17 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.086 0.584 19452 8749 1 17 . 1 1 35 35 LEU C C 35 173.700 173.700 178.811 -5.111 19452 8750 1 17 . 1 1 35 35 LEU CA C 35 54.900 54.900 57.232 -2.332 19452 8751 1 17 . 1 1 35 35 LEU CB C 35 42.400 42.400 41.942 0.458 19452 8752 1 17 . 1 1 35 35 LEU H H 35 8.100 8.100 7.965 0.135 19452 8753 1 17 . 1 1 36 36 ILE N N 36 128.800 128.800 121.267 7.533 19452 8754 1 17 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.903 1.147 19452 8755 1 17 . 1 1 36 36 ILE C C 36 175.800 175.800 177.370 -1.570 19452 8756 1 17 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.725 -4.925 19452 8757 1 17 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.569 2.331 19452 8758 1 17 . 1 1 36 36 ILE H H 36 9.320 9.320 7.613 1.707 19452 8759 1 17 . 1 1 37 37 LEU N N 37 129.600 129.600 120.327 9.273 19452 8760 1 17 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.262 1.008 19452 8761 1 17 . 1 1 37 37 LEU C C 37 175.500 175.500 176.847 -1.347 19452 8762 1 17 . 1 1 37 37 LEU CA C 37 54.000 54.000 55.599 -1.599 19452 8763 1 17 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.446 2.354 19452 8764 1 17 . 1 1 37 37 LEU H H 37 9.400 9.400 7.825 1.575 19452 8765 1 17 . 1 1 38 38 VAL N N 38 120.100 120.100 122.448 -2.348 19452 8766 1 17 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.903 0.687 19452 8767 1 17 . 1 1 38 38 VAL C C 38 174.000 174.000 175.358 -1.358 19452 8768 1 17 . 1 1 38 38 VAL CA C 38 61.100 61.100 64.235 -3.135 19452 8769 1 17 . 1 1 38 38 VAL CB C 38 33.500 33.500 31.481 2.019 19452 8770 1 17 . 1 1 38 38 VAL H H 38 9.440 9.440 7.594 1.846 19452 8771 1 17 . 1 1 39 39 ASP N N 39 125.600 125.600 125.823 -0.223 19452 8772 1 17 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.718 0.452 19452 8773 1 17 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.291 -2.391 19452 8774 1 17 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.115 -2.315 19452 8775 1 17 . 1 1 39 39 ASP H H 39 9.240 9.240 8.469 0.771 19452 8776 1 17 . 1 1 40 40 PHE N N 40 119.600 119.600 119.483 0.117 19452 8777 1 17 . 1 1 40 40 PHE H H 40 8.860 8.860 7.893 0.967 19452 8778 1 17 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.706 -0.296 19452 8779 1 17 . 1 1 53 53 PRO CA C 53 65.500 65.500 63.358 2.142 19452 8780 1 17 . 1 1 53 53 PRO CB C 53 30.800 30.800 29.510 1.290 19452 8781 1 17 . 1 1 54 54 GLN N N 54 115.300 115.300 122.465 -7.165 19452 8782 1 17 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.354 -0.154 19452 8783 1 17 . 1 1 54 54 GLN C C 54 179.400 179.400 172.594 6.806 19452 8784 1 17 . 1 1 54 54 GLN CA C 54 58.000 58.000 55.963 2.037 19452 8785 1 17 . 1 1 54 54 GLN H H 54 7.080 7.080 7.674 -0.594 19452 8786 1 17 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.483 -0.493 19452 8787 1 17 . 1 1 55 55 LEU C C 55 178.700 178.700 175.602 3.098 19452 8788 1 17 . 1 1 55 55 LEU CA C 55 57.300 57.300 54.664 2.636 19452 8789 1 17 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.020 -0.720 19452 8790 1 17 . 1 1 56 56 GLU N N 56 118.900 118.900 123.770 -4.870 19452 8791 1 17 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.439 -0.599 19452 8792 1 17 . 1 1 56 56 GLU C C 56 179.100 179.100 175.474 3.626 19452 8793 1 17 . 1 1 56 56 GLU CA C 56 59.500 59.500 56.431 3.069 19452 8794 1 17 . 1 1 56 56 GLU CB C 56 29.000 29.000 31.335 -2.335 19452 8795 1 17 . 1 1 56 56 GLU H H 56 8.150 8.150 8.634 -0.484 19452 8796 1 17 . 1 1 57 57 LYS N N 57 117.000 117.000 124.382 -7.382 19452 8797 1 17 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.576 -0.506 19452 8798 1 17 . 1 1 57 57 LYS C C 57 179.800 179.800 175.539 4.261 19452 8799 1 17 . 1 1 57 57 LYS CA C 57 59.000 59.000 56.468 2.532 19452 8800 1 17 . 1 1 57 57 LYS CB C 57 31.900 31.900 33.196 -1.296 19452 8801 1 17 . 1 1 57 57 LYS H H 57 7.160 7.160 8.722 -1.562 19452 8802 1 17 . 1 1 58 58 LEU N N 58 119.900 119.900 124.406 -4.506 19452 8803 1 17 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.402 -0.202 19452 8804 1 17 . 1 1 58 58 LEU C C 58 178.700 178.700 175.012 3.688 19452 8805 1 17 . 1 1 58 58 LEU CA C 58 57.700 57.700 54.552 3.148 19452 8806 1 17 . 1 1 58 58 LEU CB C 58 41.700 41.700 43.047 -1.347 19452 8807 1 17 . 1 1 58 58 LEU H H 58 7.650 7.650 8.501 -0.851 19452 8808 1 17 . 1 1 59 59 ALA N N 59 120.700 120.700 126.115 -5.415 19452 8809 1 17 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.578 -0.718 19452 8810 1 17 . 1 1 59 59 ALA C C 59 180.000 180.000 176.607 3.393 19452 8811 1 17 . 1 1 59 59 ALA CA C 59 54.600 54.600 52.397 2.203 19452 8812 1 17 . 1 1 59 59 ALA CB C 59 18.000 18.000 20.657 -2.657 19452 8813 1 17 . 1 1 59 59 ALA H H 59 8.440 8.440 8.328 0.112 19452 8814 1 17 . 1 1 60 60 GLN N N 60 113.100 113.100 122.735 -9.635 19452 8815 1 17 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.747 -0.687 19452 8816 1 17 . 1 1 60 60 GLN C C 60 177.800 177.800 174.695 3.105 19452 8817 1 17 . 1 1 60 60 GLN CA C 60 57.500 57.500 52.454 5.046 19452 8818 1 17 . 1 1 60 60 GLN CB C 60 28.800 28.800 28.233 0.567 19452 8819 1 17 . 1 1 60 60 GLN H H 60 7.340 7.340 8.481 -1.141 19452 8820 1 17 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.298 -0.268 19452 8821 1 17 . 1 1 61 61 GLN C C 61 177.300 177.300 176.620 0.680 19452 8822 1 17 . 1 1 61 61 GLN CA C 61 57.800 57.800 56.981 0.819 19452 8823 1 17 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.029 -0.029 19452 8824 1 17 . 1 1 62 62 TYR N N 62 117.300 117.300 118.412 -1.112 19452 8825 1 17 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.441 0.539 19452 8826 1 17 . 1 1 62 62 TYR C C 62 175.800 175.800 178.455 -2.655 19452 8827 1 17 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.220 -4.120 19452 8828 1 17 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.660 0.240 19452 8829 1 17 . 1 1 62 62 TYR H H 62 7.950 7.950 8.495 -0.545 19452 8830 1 17 . 1 1 63 63 THR N N 63 111.900 111.900 112.340 -0.440 19452 8831 1 17 . 1 1 63 63 THR HA H 63 4.190 4.190 3.942 0.248 19452 8832 1 17 . 1 1 63 63 THR C C 63 175.700 175.700 176.789 -1.089 19452 8833 1 17 . 1 1 63 63 THR CA C 63 64.600 64.600 65.424 -0.824 19452 8834 1 17 . 1 1 63 63 THR CB C 63 69.200 69.200 68.168 1.032 19452 8835 1 17 . 1 1 63 63 THR H H 63 7.110 7.110 7.534 -0.424 19452 8836 1 17 . 1 1 64 64 GLU N N 64 117.500 117.500 118.581 -1.081 19452 8837 1 17 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.937 0.363 19452 8838 1 17 . 1 1 64 64 GLU C C 64 177.400 177.400 178.907 -1.507 19452 8839 1 17 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.193 -1.193 19452 8840 1 17 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.122 0.978 19452 8841 1 17 . 1 1 64 64 GLU H H 64 8.610 8.610 7.812 0.798 19452 8842 1 17 . 1 1 65 65 ASN N N 65 113.300 113.300 118.808 -5.508 19452 8843 1 17 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.412 0.578 19452 8844 1 17 . 1 1 65 65 ASN C C 65 173.600 173.600 178.035 -4.435 19452 8845 1 17 . 1 1 65 65 ASN CA C 65 54.000 54.000 55.674 -1.674 19452 8846 1 17 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.019 3.081 19452 8847 1 17 . 1 1 65 65 ASN H H 65 8.050 8.050 8.137 -0.087 19452 8848 1 17 . 1 1 66 66 VAL N N 66 119.200 119.200 117.252 1.948 19452 8849 1 17 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.876 1.664 19452 8850 1 17 . 1 1 66 66 VAL C C 66 174.900 174.900 178.027 -3.127 19452 8851 1 17 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.316 -4.416 19452 8852 1 17 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.841 4.859 19452 8853 1 17 . 1 1 66 66 VAL H H 66 7.890 7.890 7.982 -0.092 19452 8854 1 17 . 1 1 67 67 LYS N N 67 127.600 127.600 119.439 8.161 19452 8855 1 17 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.838 0.722 19452 8856 1 17 . 1 1 67 67 LYS C C 67 173.600 173.600 178.261 -4.661 19452 8857 1 17 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.216 -5.116 19452 8858 1 17 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.760 4.440 19452 8859 1 17 . 1 1 67 67 LYS H H 67 8.700 8.700 8.428 0.272 19452 8860 1 17 . 1 1 68 68 ILE N N 68 123.200 123.200 115.701 7.499 19452 8861 1 17 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.890 0.690 19452 8862 1 17 . 1 1 68 68 ILE C C 68 173.900 173.900 178.898 -4.998 19452 8863 1 17 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.331 -2.831 19452 8864 1 17 . 1 1 68 68 ILE CB C 68 38.500 38.500 38.046 0.454 19452 8865 1 17 . 1 1 68 68 ILE H H 68 8.770 8.770 7.619 1.151 19452 8866 1 17 . 1 1 69 69 TYR N N 69 124.400 124.400 118.156 6.244 19452 8867 1 17 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.261 1.399 19452 8868 1 17 . 1 1 69 69 TYR CA C 69 55.600 55.600 59.975 -4.375 19452 8869 1 17 . 1 1 69 69 TYR CB C 69 43.400 43.400 39.004 4.396 19452 8870 1 17 . 1 1 69 69 TYR H H 69 9.060 9.060 7.626 1.434 19452 8871 1 17 . 1 1 73 73 ILE C C 73 177.400 177.400 174.083 3.317 19452 8872 1 17 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.040 1.560 19452 8873 1 17 . 1 1 74 74 GLU N N 74 121.800 121.800 120.002 1.798 19452 8874 1 17 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.836 -0.556 19452 8875 1 17 . 1 1 74 74 GLU C C 74 177.800 177.800 174.519 3.281 19452 8876 1 17 . 1 1 74 74 GLU CA C 74 58.900 58.900 55.245 3.655 19452 8877 1 17 . 1 1 74 74 GLU CB C 74 29.700 29.700 33.157 -3.457 19452 8878 1 17 . 1 1 74 74 GLU H H 74 8.560 8.560 7.945 0.615 19452 8879 1 17 . 1 1 75 75 ASP N N 75 114.200 114.200 124.317 -10.117 19452 8880 1 17 . 1 1 75 75 ASP C C 75 175.800 175.800 174.206 1.594 19452 8881 1 17 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.313 2.687 19452 8882 1 17 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.398 -2.598 19452 8883 1 17 . 1 1 75 75 ASP H H 75 6.840 6.840 8.801 -1.961 19452 8884 1 17 . 1 1 76 76 ASN N N 76 118.400 118.400 117.603 0.797 19452 8885 1 17 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.443 -0.423 19452 8886 1 17 . 1 1 76 76 ASN C C 76 174.000 174.000 173.657 0.343 19452 8887 1 17 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.155 1.545 19452 8888 1 17 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.410 -0.811 19452 8889 1 17 . 1 1 76 76 ASN H H 76 7.600 7.600 8.219 -0.619 19452 8890 1 17 . 1 1 77 77 GLN N N 77 122.000 122.000 123.205 -1.205 19452 8891 1 17 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.879 -0.139 19452 8892 1 17 . 1 1 77 77 GLN C C 77 177.800 177.800 174.107 3.693 19452 8893 1 17 . 1 1 77 77 GLN CA C 77 56.400 56.400 54.456 1.944 19452 8894 1 17 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.572 -2.972 19452 8895 1 17 . 1 1 77 77 GLN H H 77 9.040 9.040 9.216 -0.176 19452 8896 1 17 . 1 1 78 78 ASP N N 78 125.900 125.900 117.944 7.956 19452 8897 1 17 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.582 -1.172 19452 8898 1 17 . 1 1 78 78 ASP C C 78 178.900 178.900 175.244 3.656 19452 8899 1 17 . 1 1 78 78 ASP CA C 78 58.700 58.700 52.169 6.531 19452 8900 1 17 . 1 1 78 78 ASP CB C 78 40.000 40.000 45.416 -5.416 19452 8901 1 17 . 1 1 78 78 ASP H H 78 10.210 10.210 9.309 0.901 19452 8902 1 17 . 1 1 79 79 VAL N N 79 123.800 123.800 117.210 6.590 19452 8903 1 17 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.733 -1.243 19452 8904 1 17 . 1 1 79 79 VAL C C 79 178.400 178.400 175.352 3.048 19452 8905 1 17 . 1 1 79 79 VAL CA C 79 66.500 66.500 61.133 5.367 19452 8906 1 17 . 1 1 79 79 VAL CB C 79 30.500 30.500 35.775 -5.275 19452 8907 1 17 . 1 1 79 79 VAL H H 79 8.130 8.130 8.834 -0.704 19452 8908 1 17 . 1 1 80 80 ALA N N 80 121.800 121.800 128.547 -6.747 19452 8909 1 17 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.619 -1.109 19452 8910 1 17 . 1 1 80 80 ALA C C 80 179.600 179.600 176.644 2.956 19452 8911 1 17 . 1 1 80 80 ALA CA C 80 54.900 54.900 51.016 3.884 19452 8912 1 17 . 1 1 80 80 ALA CB C 80 17.300 17.300 18.776 -1.476 19452 8913 1 17 . 1 1 80 80 ALA H H 80 9.250 9.250 8.248 1.002 19452 8914 1 17 . 1 1 81 81 THR N N 81 113.200 113.200 113.716 -0.516 19452 8915 1 17 . 1 1 81 81 THR HA H 81 3.960 3.960 4.389 -0.429 19452 8916 1 17 . 1 1 81 81 THR C C 81 177.700 177.700 174.694 3.006 19452 8917 1 17 . 1 1 81 81 THR CA C 81 66.400 66.400 61.961 4.439 19452 8918 1 17 . 1 1 81 81 THR CB C 81 68.500 68.500 69.227 -0.727 19452 8919 1 17 . 1 1 81 81 THR H H 81 7.990 7.990 7.987 0.003 19452 8920 1 17 . 1 1 82 82 GLN N N 82 123.800 123.800 125.522 -1.722 19452 8921 1 17 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.203 -0.353 19452 8922 1 17 . 1 1 82 82 GLN C C 82 177.900 177.900 176.410 1.490 19452 8923 1 17 . 1 1 82 82 GLN CA C 82 58.900 58.900 57.155 1.745 19452 8924 1 17 . 1 1 82 82 GLN CB C 82 28.000 28.000 28.875 -0.875 19452 8925 1 17 . 1 1 82 82 GLN H H 82 8.170 8.170 8.848 -0.678 19452 8926 1 17 . 1 1 83 83 TYR N N 83 112.900 112.900 116.746 -3.846 19452 8927 1 17 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.526 -0.096 19452 8928 1 17 . 1 1 83 83 TYR C C 83 175.300 175.300 175.792 -0.492 19452 8929 1 17 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.274 0.726 19452 8930 1 17 . 1 1 83 83 TYR CB C 83 38.500 38.500 38.623 -0.123 19452 8931 1 17 . 1 1 83 83 TYR H H 83 7.780 7.780 8.327 -0.547 19452 8932 1 17 . 1 1 84 84 GLY N N 84 110.200 110.200 108.407 1.793 19452 8933 1 17 . 1 1 84 84 GLY C C 84 175.300 175.300 172.609 2.691 19452 8934 1 17 . 1 1 84 84 GLY CA C 84 47.100 47.100 44.095 3.005 19452 8935 1 17 . 1 1 84 84 GLY H H 84 7.670 7.670 7.704 -0.034 19452 8936 1 17 . 1 1 85 85 VAL N N 85 121.300 121.300 119.080 2.220 19452 8937 1 17 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.298 -0.428 19452 8938 1 17 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.697 1.302 19452 8939 1 17 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.934 -3.434 19452 8940 1 17 . 1 1 85 85 VAL H H 85 8.500 8.500 8.261 0.239 19452 8941 1 17 . 1 1 90 90 THR HA H 90 5.170 5.170 3.939 1.231 19452 8942 1 17 . 1 1 90 90 THR C C 90 172.300 172.300 176.386 -4.086 19452 8943 1 17 . 1 1 90 90 THR CA C 90 63.500 63.500 64.704 -1.204 19452 8944 1 17 . 1 1 90 90 THR CB C 90 73.300 73.300 68.555 4.745 19452 8945 1 17 . 1 1 91 91 ILE N N 91 126.600 126.600 116.835 9.765 19452 8946 1 17 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.107 1.483 19452 8947 1 17 . 1 1 91 91 ILE C C 91 175.900 175.900 176.673 -0.773 19452 8948 1 17 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.226 -2.826 19452 8949 1 17 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.065 1.935 19452 8950 1 17 . 1 1 91 91 ILE H H 91 9.340 9.340 7.444 1.896 19452 8951 1 17 . 1 1 92 92 LEU N N 92 125.700 125.700 119.790 5.910 19452 8952 1 17 . 1 1 92 92 LEU HA H 92 5.120 5.120 3.944 1.176 19452 8953 1 17 . 1 1 92 92 LEU C C 92 176.100 176.100 175.836 0.264 19452 8954 1 17 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.885 -1.785 19452 8955 1 17 . 1 1 92 92 LEU H H 92 9.120 9.120 7.619 1.501 19452 8956 1 17 . 1 1 93 93 MET N N 93 117.700 117.700 118.744 -1.044 19452 8957 1 17 . 1 1 93 93 MET HA H 93 5.860 5.860 4.732 1.128 19452 8958 1 17 . 1 1 93 93 MET C C 93 174.400 174.400 176.229 -1.829 19452 8959 1 17 . 1 1 93 93 MET CA C 93 54.400 54.400 53.892 0.508 19452 8960 1 17 . 1 1 93 93 MET CB C 93 34.100 34.100 35.134 -1.034 19452 8961 1 17 . 1 1 93 93 MET H H 93 8.080 8.080 8.130 -0.050 19452 8962 1 17 . 1 1 94 94 PHE N N 94 123.300 123.300 123.935 -0.635 19452 8963 1 17 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.399 1.171 19452 8964 1 17 . 1 1 94 94 PHE C C 94 174.800 174.800 176.252 -1.452 19452 8965 1 17 . 1 1 94 94 PHE CA C 94 55.900 55.900 58.973 -3.073 19452 8966 1 17 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.773 5.027 19452 8967 1 17 . 1 1 94 94 PHE H H 94 9.990 9.990 8.509 1.481 19452 8968 1 17 . 1 1 95 95 LYS N N 95 117.100 117.100 122.665 -5.565 19452 8969 1 17 . 1 1 95 95 LYS C C 95 176.500 176.500 176.016 0.484 19452 8970 1 17 . 1 1 95 95 LYS CA C 95 57.500 57.500 56.259 1.241 19452 8971 1 17 . 1 1 95 95 LYS CB C 95 37.200 37.200 30.619 6.581 19452 8972 1 17 . 1 1 95 95 LYS H H 95 8.630 8.630 8.725 -0.095 19452 8973 1 17 . 1 1 96 96 ASN N N 96 130.400 130.400 114.653 15.747 19452 8974 1 17 . 1 1 96 96 ASN HA H 96 4.820 4.820 5.441 -0.621 19452 8975 1 17 . 1 1 96 96 ASN C C 96 175.900 175.900 172.983 2.917 19452 8976 1 17 . 1 1 96 96 ASN CA C 96 54.500 54.500 49.670 4.830 19452 8977 1 17 . 1 1 96 96 ASN CB C 96 36.900 36.900 40.829 -3.929 19452 8978 1 17 . 1 1 96 96 ASN H H 96 10.190 10.190 8.192 1.998 19452 8979 1 17 . 1 1 97 97 GLY C C 97 173.700 173.700 173.702 -0.002 19452 8980 1 17 . 1 1 97 97 GLY CA C 97 46.000 46.000 45.510 0.490 19452 8981 1 17 . 1 1 98 98 LYS N N 98 120.300 120.300 121.930 -1.630 19452 8982 1 17 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.797 -0.057 19452 8983 1 17 . 1 1 98 98 LYS C C 98 175.500 175.500 174.907 0.593 19452 8984 1 17 . 1 1 98 98 LYS CA C 98 54.700 54.700 54.764 -0.064 19452 8985 1 17 . 1 1 98 98 LYS CB C 98 34.200 34.200 35.252 -1.052 19452 8986 1 17 . 1 1 98 98 LYS H H 98 7.840 7.840 8.296 -0.456 19452 8987 1 17 . 1 1 99 99 LYS N N 99 124.900 124.900 122.218 2.682 19452 8988 1 17 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.211 -1.601 19452 8989 1 17 . 1 1 99 99 LYS C C 99 176.300 176.300 175.499 0.801 19452 8990 1 17 . 1 1 99 99 LYS CA C 99 56.600 56.600 54.739 1.861 19452 8991 1 17 . 1 1 99 99 LYS CB C 99 31.500 31.500 34.419 -2.920 19452 8992 1 17 . 1 1 99 99 LYS H H 99 8.880 8.880 8.518 0.362 19452 8993 1 17 . 1 1 100 100 LEU N N 100 128.800 128.800 126.410 2.390 19452 8994 1 17 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.598 -0.158 19452 8995 1 17 . 1 1 100 100 LEU C C 100 177.400 177.400 175.166 2.234 19452 8996 1 17 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.955 1.345 19452 8997 1 17 . 1 1 100 100 LEU CB C 100 44.100 44.100 46.286 -2.187 19452 8998 1 17 . 1 1 100 100 LEU H H 100 9.320 9.320 8.837 0.483 19452 8999 1 17 . 1 1 101 101 SER N N 101 109.000 109.000 117.609 -8.609 19452 9000 1 17 . 1 1 101 101 SER HA H 101 4.550 4.550 5.068 -0.518 19452 9001 1 17 . 1 1 101 101 SER C C 101 172.400 172.400 173.504 -1.104 19452 9002 1 17 . 1 1 101 101 SER CA C 101 57.200 57.200 57.879 -0.679 19452 9003 1 17 . 1 1 101 101 SER CB C 101 64.400 64.400 63.145 1.255 19452 9004 1 17 . 1 1 101 101 SER H H 101 7.260 7.260 8.684 -1.424 19452 9005 1 17 . 1 1 102 102 GLN N N 102 119.900 119.900 124.436 -4.536 19452 9006 1 17 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.607 -0.387 19452 9007 1 17 . 1 1 102 102 GLN C C 102 173.800 173.800 174.937 -1.137 19452 9008 1 17 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.687 0.713 19452 9009 1 17 . 1 1 102 102 GLN CB C 102 31.800 31.800 32.651 -0.851 19452 9010 1 17 . 1 1 102 102 GLN H H 102 8.230 8.230 9.201 -0.971 19452 9011 1 17 . 1 1 103 103 VAL N N 103 123.800 123.800 121.502 2.298 19452 9012 1 17 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.420 -0.090 19452 9013 1 17 . 1 1 103 103 VAL C C 103 174.600 174.600 175.328 -0.728 19452 9014 1 17 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.117 -0.417 19452 9015 1 17 . 1 1 103 103 VAL CB C 103 34.600 34.600 34.908 -0.308 19452 9016 1 17 . 1 1 103 103 VAL H H 103 9.310 9.310 9.150 0.160 19452 9017 1 17 . 1 1 104 104 ILE N N 104 129.400 129.400 127.892 1.508 19452 9018 1 17 . 1 1 104 104 ILE C C 104 176.400 176.400 175.466 0.934 19452 9019 1 17 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.733 -1.233 19452 9020 1 17 . 1 1 104 104 ILE CB C 104 38.700 38.700 36.910 1.790 19452 9021 1 17 . 1 1 104 104 ILE H H 104 8.970 8.970 8.737 0.233 19452 9022 1 17 . 1 1 105 105 GLY N N 105 115.400 115.400 103.428 11.972 19452 9023 1 17 . 1 1 105 105 GLY C C 105 172.700 172.700 173.787 -1.087 19452 9024 1 17 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.345 -1.645 19452 9025 1 17 . 1 1 105 105 GLY H H 105 8.500 8.500 8.551 -0.051 19452 9026 1 17 . 1 1 106 106 ALA N N 106 120.200 120.200 121.295 -1.095 19452 9027 1 17 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.713 -0.333 19452 9028 1 17 . 1 1 106 106 ALA C C 106 176.300 176.300 175.837 0.463 19452 9029 1 17 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.368 0.132 19452 9030 1 17 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.349 -3.949 19452 9031 1 17 . 1 1 106 106 ALA H H 106 8.360 8.360 7.861 0.499 19452 9032 1 17 . 1 1 107 107 ASP N N 107 121.100 121.100 120.383 0.717 19452 9033 1 17 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.334 -0.564 19452 9034 1 17 . 1 1 107 107 ASP C C 107 176.600 176.600 175.750 0.850 19452 9035 1 17 . 1 1 107 107 ASP CA C 107 52.600 52.600 53.780 -1.180 19452 9036 1 17 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.811 -1.211 19452 9037 1 17 . 1 1 107 107 ASP H H 107 7.610 7.610 8.546 -0.936 19452 9038 1 17 . 1 1 108 108 ILE N N 108 125.700 125.700 122.858 2.842 19452 9039 1 17 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.373 -0.363 19452 9040 1 17 . 1 1 108 108 ILE C C 108 176.400 176.400 175.888 0.512 19452 9041 1 17 . 1 1 108 108 ILE CA C 108 60.700 60.700 61.452 -0.752 19452 9042 1 17 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.924 -0.624 19452 9043 1 17 . 1 1 108 108 ILE H H 108 8.550 8.550 8.344 0.206 19452 9044 1 17 . 1 1 109 109 SER N N 109 117.700 117.700 109.962 7.738 19452 9045 1 17 . 1 1 109 109 SER HA H 109 4.180 4.180 4.526 -0.346 19452 9046 1 17 . 1 1 109 109 SER C C 109 177.300 177.300 171.720 5.580 19452 9047 1 17 . 1 1 109 109 SER CA C 109 61.700 61.700 58.102 3.598 19452 9048 1 17 . 1 1 109 109 SER CB C 109 62.100 62.100 64.564 -2.464 19452 9049 1 17 . 1 1 109 109 SER H H 109 8.330 8.330 7.438 0.892 19452 9050 1 17 . 1 1 110 110 LYS N N 110 123.200 123.200 119.516 3.684 19452 9051 1 17 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.626 -0.406 19452 9052 1 17 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.319 2.781 19452 9053 1 17 . 1 1 110 110 LYS CB C 110 32.300 32.300 35.785 -3.485 19452 9054 1 17 . 1 1 110 110 LYS H H 110 7.480 7.480 8.662 -1.182 19452 9055 1 17 . 1 1 111 111 ILE N N 111 119.300 119.300 121.225 -1.925 19452 9056 1 17 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.490 -0.460 19452 9057 1 17 . 1 1 111 111 ILE C C 111 177.200 177.200 174.169 3.031 19452 9058 1 17 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.406 0.695 19452 9059 1 17 . 1 1 111 111 ILE CB C 111 37.800 37.800 42.111 -4.311 19452 9060 1 17 . 1 1 111 111 ILE H H 111 7.640 7.640 8.623 -0.983 19452 9061 1 17 . 1 1 112 112 ILE N N 112 118.700 118.700 125.576 -6.876 19452 9062 1 17 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.486 -1.056 19452 9063 1 17 . 1 1 112 112 ILE C C 112 177.700 177.700 176.309 1.391 19452 9064 1 17 . 1 1 112 112 ILE CA C 112 66.100 66.100 61.149 4.951 19452 9065 1 17 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.940 -0.440 19452 9066 1 17 . 1 1 112 112 ILE H H 112 8.410 8.410 8.468 -0.058 19452 9067 1 17 . 1 1 113 113 SER N N 113 113.800 113.800 122.426 -8.626 19452 9068 1 17 . 1 1 113 113 SER HA H 113 4.200 4.200 4.225 -0.025 19452 9069 1 17 . 1 1 113 113 SER C C 113 177.200 177.200 172.472 4.728 19452 9070 1 17 . 1 1 113 113 SER CA C 113 62.000 62.000 57.287 4.713 19452 9071 1 17 . 1 1 113 113 SER H H 113 7.920 7.920 8.376 -0.456 19452 9072 1 17 . 1 1 114 114 GLU N N 114 119.400 119.400 121.705 -2.305 19452 9073 1 17 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.584 -0.434 19452 9074 1 17 . 1 1 114 114 GLU C C 114 179.900 179.900 175.127 4.773 19452 9075 1 17 . 1 1 114 114 GLU CA C 114 58.500 58.500 56.055 2.445 19452 9076 1 17 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.015 -2.715 19452 9077 1 17 . 1 1 114 114 GLU H H 114 8.010 8.010 8.403 -0.393 19452 9078 1 17 . 1 1 115 115 ILE N N 115 121.700 121.700 125.044 -3.344 19452 9079 1 17 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.442 -1.062 19452 9080 1 17 . 1 1 115 115 ILE C C 115 178.100 178.100 175.407 2.693 19452 9081 1 17 . 1 1 115 115 ILE CA C 115 66.000 66.000 61.414 4.586 19452 9082 1 17 . 1 1 115 115 ILE CB C 115 37.700 37.700 40.692 -2.992 19452 9083 1 17 . 1 1 115 115 ILE H H 115 8.370 8.370 8.305 0.065 19452 9084 1 17 . 1 1 116 116 ASN N N 116 116.100 116.100 123.725 -7.625 19452 9085 1 17 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.367 -0.037 19452 9086 1 17 . 1 1 116 116 ASN C C 116 177.900 177.900 176.035 1.865 19452 9087 1 17 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.391 0.509 19452 9088 1 17 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.891 -1.291 19452 9089 1 17 . 1 1 116 116 ASN H H 116 8.230 8.230 8.723 -0.493 19452 9090 1 17 . 1 1 117 117 ASN N N 117 115.400 115.400 115.835 -0.435 19452 9091 1 17 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.440 0.190 19452 9092 1 17 . 1 1 117 117 ASN C C 117 176.200 176.200 177.295 -1.095 19452 9093 1 17 . 1 1 117 117 ASN CA C 117 54.300 54.300 55.780 -1.480 19452 9094 1 17 . 1 1 117 117 ASN CB C 117 39.100 39.100 37.904 1.196 19452 9095 1 17 . 1 1 117 117 ASN H H 117 7.930 7.930 8.468 -0.538 19452 9096 1 17 . 1 1 118 118 ASN N N 118 115.400 115.400 121.173 -5.773 19452 9097 1 17 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.614 0.396 19452 9098 1 17 . 1 1 118 118 ASN C C 118 174.400 174.400 177.425 -3.025 19452 9099 1 17 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.067 -0.867 19452 9100 1 17 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.279 3.921 19452 9101 1 17 . 1 1 118 118 ASN H H 118 7.710 7.710 7.563 0.147 19452 9102 1 17 . 1 1 119 119 ILE N N 119 117.300 117.300 117.919 -0.619 19452 9103 1 17 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.778 0.542 19452 9104 1 17 . 1 1 119 119 ILE C C 119 174.900 174.900 177.753 -2.853 19452 9105 1 17 . 1 1 119 119 ILE CA C 119 62.200 62.200 65.004 -2.804 19452 9106 1 17 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.529 1.671 19452 9107 1 17 . 1 1 119 119 ILE H H 119 7.520 7.520 7.984 -0.464 19452 9108 1 17 . 1 1 120 120 ASN N N 120 124.900 124.900 114.214 10.686 19452 9109 1 17 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.510 -0.000 19452 9110 1 17 . 1 1 120 120 ASN CA C 120 55.000 55.000 56.376 -1.376 19452 9111 1 17 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.855 2.345 19452 9112 1 17 . 1 1 120 120 ASN H H 120 7.960 7.960 8.031 -0.071 19452 9113 1 18 . 1 1 2 2 GLY N N 2 109.900 109.900 109.325 0.575 19452 9114 1 18 . 1 1 2 2 GLY C C 2 174.400 174.400 174.107 0.293 19452 9115 1 18 . 1 1 2 2 GLY CA C 2 45.600 45.600 44.883 0.717 19452 9116 1 18 . 1 1 2 2 GLY H H 2 8.480 8.480 8.127 0.353 19452 9117 1 18 . 1 1 3 3 THR N N 3 113.700 113.700 115.482 -1.782 19452 9118 1 18 . 1 1 3 3 THR C C 3 174.900 174.900 175.116 -0.216 19452 9119 1 18 . 1 1 3 3 THR CA C 3 62.400 62.400 62.432 -0.032 19452 9120 1 18 . 1 1 3 3 THR CB C 3 70.000 70.000 70.262 -0.262 19452 9121 1 18 . 1 1 3 3 THR H H 3 8.090 8.090 8.477 -0.387 19452 9122 1 18 . 1 1 4 4 LEU N N 4 124.100 124.100 123.609 0.491 19452 9123 1 18 . 1 1 4 4 LEU C C 4 177.600 177.600 175.992 1.608 19452 9124 1 18 . 1 1 4 4 LEU CA C 4 55.700 55.700 55.419 0.281 19452 9125 1 18 . 1 1 4 4 LEU CB C 4 42.300 42.300 43.191 -0.891 19452 9126 1 18 . 1 1 4 4 LEU H H 4 8.400 8.400 8.686 -0.286 19452 9127 1 18 . 1 1 5 5 GLU N N 5 121.600 121.600 118.697 2.903 19452 9128 1 18 . 1 1 5 5 GLU C C 5 176.500 176.500 175.274 1.226 19452 9129 1 18 . 1 1 5 5 GLU CA C 5 57.000 57.000 56.097 0.903 19452 9130 1 18 . 1 1 5 5 GLU CB C 5 29.900 29.900 31.860 -1.960 19452 9131 1 18 . 1 1 5 5 GLU H H 5 8.430 8.430 8.318 0.112 19452 9132 1 18 . 1 1 6 6 ALA N N 6 124.500 124.500 127.735 -3.235 19452 9133 1 18 . 1 1 6 6 ALA C C 6 177.900 177.900 176.476 1.424 19452 9134 1 18 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.772 1.128 19452 9135 1 18 . 1 1 6 6 ALA CB C 6 19.200 19.200 19.019 0.181 19452 9136 1 18 . 1 1 6 6 ALA H H 6 8.330 8.330 8.276 0.054 19452 9137 1 18 . 1 1 7 7 GLN N N 7 119.200 119.200 121.615 -2.415 19452 9138 1 18 . 1 1 7 7 GLN C C 7 176.400 176.400 174.104 2.296 19452 9139 1 18 . 1 1 7 7 GLN CA C 7 56.000 56.000 56.281 -0.280 19452 9140 1 18 . 1 1 7 7 GLN CB C 7 29.200 29.200 29.504 -0.304 19452 9141 1 18 . 1 1 7 7 GLN H H 7 8.400 8.400 8.469 -0.069 19452 9142 1 18 . 1 1 8 8 THR N N 8 115.100 115.100 119.117 -4.017 19452 9143 1 18 . 1 1 8 8 THR C C 8 174.500 174.500 174.077 0.423 19452 9144 1 18 . 1 1 8 8 THR CA C 8 62.300 62.300 61.257 1.043 19452 9145 1 18 . 1 1 8 8 THR CB C 8 70.000 70.000 70.161 -0.161 19452 9146 1 18 . 1 1 8 8 THR H H 8 8.210 8.210 7.991 0.219 19452 9147 1 18 . 1 1 9 9 GLN N N 9 122.300 122.300 119.928 2.372 19452 9148 1 18 . 1 1 9 9 GLN C C 9 176.100 176.100 176.244 -0.144 19452 9149 1 18 . 1 1 9 9 GLN CA C 9 55.900 55.900 55.495 0.405 19452 9150 1 18 . 1 1 9 9 GLN CB C 9 29.500 29.500 29.604 -0.104 19452 9151 1 18 . 1 1 9 9 GLN H H 9 8.470 8.470 8.530 -0.060 19452 9152 1 18 . 1 1 10 10 GLY N N 10 110.300 110.300 112.026 -1.726 19452 9153 1 18 . 1 1 10 10 GLY CA C 10 44.400 44.400 44.701 -0.301 19452 9154 1 18 . 1 1 10 10 GLY H H 10 8.360 8.360 8.497 -0.137 19452 9155 1 18 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.666 -0.226 19452 9156 1 18 . 1 1 11 11 PRO C C 11 177.800 177.800 176.094 1.706 19452 9157 1 18 . 1 1 11 11 PRO CA C 11 63.300 63.300 62.763 0.537 19452 9158 1 18 . 1 1 11 11 PRO CB C 11 32.000 32.000 33.399 -1.399 19452 9159 1 18 . 1 1 12 12 GLY N N 12 109.600 109.600 112.396 -2.796 19452 9160 1 18 . 1 1 12 12 GLY CA C 12 44.900 44.900 44.776 0.124 19452 9161 1 18 . 1 1 12 12 GLY H H 12 8.600 8.600 8.477 0.123 19452 9162 1 18 . 1 1 13 13 SER N N 13 114.700 114.700 122.149 -7.449 19452 9163 1 18 . 1 1 13 13 SER HA H 13 4.510 4.510 4.430 0.080 19452 9164 1 18 . 1 1 13 13 SER C C 13 175.300 175.300 174.023 1.277 19452 9165 1 18 . 1 1 13 13 SER CA C 13 57.800 57.800 57.909 -0.109 19452 9166 1 18 . 1 1 13 13 SER CB C 13 62.300 62.300 64.398 -2.099 19452 9167 1 18 . 1 1 13 13 SER H H 13 8.130 8.130 8.396 -0.266 19452 9168 1 18 . 1 1 14 14 MET N N 14 124.300 124.300 123.287 1.013 19452 9169 1 18 . 1 1 14 14 MET HA H 14 4.470 4.470 4.473 -0.003 19452 9170 1 18 . 1 1 14 14 MET CA C 14 55.700 55.700 55.648 0.052 19452 9171 1 18 . 1 1 14 14 MET CB C 14 32.700 32.700 33.252 -0.552 19452 9172 1 18 . 1 1 14 14 MET H H 14 9.430 9.430 8.411 1.019 19452 9173 1 18 . 1 1 15 15 ILE N N 15 122.600 122.600 119.399 3.201 19452 9174 1 18 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.365 -0.355 19452 9175 1 18 . 1 1 15 15 ILE C C 15 175.300 175.300 175.839 -0.539 19452 9176 1 18 . 1 1 15 15 ILE CA C 15 60.700 60.700 60.457 0.243 19452 9177 1 18 . 1 1 15 15 ILE CB C 15 37.500 37.500 39.561 -2.061 19452 9178 1 18 . 1 1 15 15 ILE H H 15 8.520 8.520 8.251 0.269 19452 9179 1 18 . 1 1 16 16 GLU N N 16 129.300 129.300 120.895 8.405 19452 9180 1 18 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.210 0.160 19452 9181 1 18 . 1 1 16 16 GLU C C 16 175.500 175.500 176.718 -1.218 19452 9182 1 18 . 1 1 16 16 GLU CA C 16 56.100 56.100 56.631 -0.531 19452 9183 1 18 . 1 1 16 16 GLU CB C 16 31.400 31.400 30.454 0.946 19452 9184 1 18 . 1 1 16 16 GLU H H 16 8.220 8.220 8.430 -0.210 19452 9185 1 18 . 1 1 17 17 GLN N N 17 124.500 124.500 122.928 1.572 19452 9186 1 18 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.301 0.819 19452 9187 1 18 . 1 1 17 17 GLN C C 17 176.000 176.000 175.835 0.165 19452 9188 1 18 . 1 1 17 17 GLN CA C 17 55.200 55.200 56.668 -1.468 19452 9189 1 18 . 1 1 17 17 GLN CB C 17 30.400 30.400 29.292 1.108 19452 9190 1 18 . 1 1 17 17 GLN H H 17 8.810 8.810 8.497 0.313 19452 9191 1 18 . 1 1 18 18 ILE N N 18 118.700 118.700 122.268 -3.568 19452 9192 1 18 . 1 1 18 18 ILE C C 18 174.400 174.400 173.917 0.483 19452 9193 1 18 . 1 1 18 18 ILE CA C 18 59.600 59.600 60.656 -1.056 19452 9194 1 18 . 1 1 18 18 ILE H H 18 8.840 8.840 8.430 0.410 19452 9195 1 18 . 1 1 19 19 GLY C C 19 174.800 174.800 174.059 0.741 19452 9196 1 18 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.927 -1.827 19452 9197 1 18 . 1 1 20 20 ASP N N 20 119.100 119.100 122.128 -3.028 19452 9198 1 18 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.789 -0.199 19452 9199 1 18 . 1 1 20 20 ASP C C 20 179.900 179.900 175.606 4.294 19452 9200 1 18 . 1 1 20 20 ASP CA C 20 58.000 58.000 54.707 3.293 19452 9201 1 18 . 1 1 20 20 ASP H H 20 8.090 8.090 8.966 -0.876 19452 9202 1 18 . 1 1 21 21 SER N N 21 112.000 112.000 116.926 -4.926 19452 9203 1 18 . 1 1 21 21 SER HA H 21 4.320 4.320 4.659 -0.339 19452 9204 1 18 . 1 1 21 21 SER CA C 21 60.700 60.700 57.862 2.838 19452 9205 1 18 . 1 1 21 21 SER CB C 21 62.500 62.500 63.528 -1.028 19452 9206 1 18 . 1 1 21 21 SER H H 21 8.750 8.750 8.446 0.304 19452 9207 1 18 . 1 1 22 22 GLU N N 22 119.000 119.000 122.425 -3.425 19452 9208 1 18 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.163 0.417 19452 9209 1 18 . 1 1 22 22 GLU C C 22 176.000 176.000 176.831 -0.831 19452 9210 1 18 . 1 1 22 22 GLU CA C 22 56.200 56.200 58.178 -1.978 19452 9211 1 18 . 1 1 22 22 GLU CB C 22 31.600 31.600 30.255 1.345 19452 9212 1 18 . 1 1 22 22 GLU H H 22 7.660 7.660 8.234 -0.574 19452 9213 1 18 . 1 1 23 23 PHE N N 23 120.900 120.900 119.993 0.907 19452 9214 1 18 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.394 -0.824 19452 9215 1 18 . 1 1 23 23 PHE C C 23 176.500 176.500 175.322 1.178 19452 9216 1 18 . 1 1 23 23 PHE CA C 23 63.100 63.100 58.415 4.685 19452 9217 1 18 . 1 1 23 23 PHE CB C 23 40.700 40.700 38.986 1.714 19452 9218 1 18 . 1 1 23 23 PHE H H 23 7.490 7.490 7.787 -0.297 19452 9219 1 18 . 1 1 24 24 ASP N N 24 118.500 118.500 129.082 -10.582 19452 9220 1 18 . 1 1 24 24 ASP HA H 24 4.630 4.630 4.994 -0.364 19452 9221 1 18 . 1 1 24 24 ASP C C 24 178.400 178.400 175.611 2.789 19452 9222 1 18 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.315 4.385 19452 9223 1 18 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.482 -3.282 19452 9224 1 18 . 1 1 24 24 ASP H H 24 8.900 8.900 8.956 -0.056 19452 9225 1 18 . 1 1 25 25 ASN N N 25 117.200 117.200 120.695 -3.495 19452 9226 1 18 . 1 1 25 25 ASN HA H 25 4.200 4.200 5.038 -0.838 19452 9227 1 18 . 1 1 25 25 ASN C C 25 176.400 176.400 175.100 1.300 19452 9228 1 18 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.609 3.391 19452 9229 1 18 . 1 1 25 25 ASN CB C 25 39.000 39.000 39.044 -0.044 19452 9230 1 18 . 1 1 26 26 LYS N N 26 112.800 112.800 117.309 -4.509 19452 9231 1 18 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.754 -0.754 19452 9232 1 18 . 1 1 26 26 LYS C C 26 175.500 175.500 175.049 0.451 19452 9233 1 18 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.207 2.093 19452 9234 1 18 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.230 -2.230 19452 9235 1 18 . 1 1 26 26 LYS H H 26 7.730 7.730 8.946 -1.216 19452 9236 1 18 . 1 1 27 27 VAL N N 27 114.500 114.500 116.549 -2.049 19452 9237 1 18 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.346 -0.306 19452 9238 1 18 . 1 1 27 27 VAL C C 27 177.900 177.900 175.230 2.670 19452 9239 1 18 . 1 1 27 27 VAL CA C 27 63.700 63.700 61.061 2.639 19452 9240 1 18 . 1 1 27 27 VAL H H 27 7.680 7.680 8.179 -0.499 19452 9241 1 18 . 1 1 28 28 THR N N 28 110.000 110.000 113.407 -3.407 19452 9242 1 18 . 1 1 28 28 THR HA H 28 3.710 3.710 4.043 -0.333 19452 9243 1 18 . 1 1 28 28 THR C C 28 175.800 175.800 176.658 -0.858 19452 9244 1 18 . 1 1 28 28 THR CA C 28 65.200 65.200 65.781 -0.581 19452 9245 1 18 . 1 1 28 28 THR CB C 28 68.100 68.100 69.179 -1.079 19452 9246 1 18 . 1 1 28 28 THR H H 28 7.010 7.010 8.419 -1.409 19452 9247 1 18 . 1 1 29 29 SER N N 29 113.600 113.600 113.415 0.185 19452 9248 1 18 . 1 1 29 29 SER HA H 29 4.480 4.480 4.329 0.151 19452 9249 1 18 . 1 1 29 29 SER C C 29 174.200 174.200 175.961 -1.761 19452 9250 1 18 . 1 1 29 29 SER CA C 29 58.500 58.500 61.015 -2.515 19452 9251 1 18 . 1 1 29 29 SER CB C 29 63.300 63.300 63.203 0.097 19452 9252 1 18 . 1 1 29 29 SER H H 29 8.350 8.350 8.194 0.156 19452 9253 1 18 . 1 1 30 30 CYS N N 30 120.000 120.000 119.740 0.260 19452 9254 1 18 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.393 -0.273 19452 9255 1 18 . 1 1 30 30 CYS C C 30 174.200 174.200 176.413 -2.213 19452 9256 1 18 . 1 1 30 30 CYS CA C 30 69.700 69.700 59.698 10.002 19452 9257 1 18 . 1 1 30 30 CYS CB C 30 27.800 27.800 26.529 1.271 19452 9258 1 18 . 1 1 30 30 CYS H H 30 6.810 6.810 8.362 -1.552 19452 9259 1 18 . 1 1 31 31 ASN N N 31 124.300 124.300 120.350 3.950 19452 9260 1 18 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.229 0.881 19452 9261 1 18 . 1 1 31 31 ASN C C 31 174.900 174.900 176.131 -1.231 19452 9262 1 18 . 1 1 31 31 ASN CA C 31 52.400 52.400 56.617 -4.217 19452 9263 1 18 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.296 0.204 19452 9264 1 18 . 1 1 31 31 ASN H H 31 8.760 8.760 8.173 0.587 19452 9265 1 18 . 1 1 32 32 ASP N N 32 119.000 119.000 116.561 2.439 19452 9266 1 18 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.857 0.703 19452 9267 1 18 . 1 1 32 32 ASP C C 32 176.600 176.600 178.912 -2.312 19452 9268 1 18 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.521 -3.021 19452 9269 1 18 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.959 2.041 19452 9270 1 18 . 1 1 32 32 ASP H H 32 7.720 7.720 8.554 -0.834 19452 9271 1 18 . 1 1 33 33 ASN N N 33 115.400 115.400 117.763 -2.363 19452 9272 1 18 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.367 -0.197 19452 9273 1 18 . 1 1 33 33 ASN C C 33 173.700 173.700 175.971 -2.271 19452 9274 1 18 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.617 -1.317 19452 9275 1 18 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.780 -0.980 19452 9276 1 18 . 1 1 33 33 ASN H H 33 9.750 9.750 7.734 2.016 19452 9277 1 18 . 1 1 34 34 ILE N N 34 120.700 120.700 113.759 6.941 19452 9278 1 18 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.301 -0.281 19452 9279 1 18 . 1 1 34 34 ILE C C 34 175.500 175.500 176.891 -1.391 19452 9280 1 18 . 1 1 34 34 ILE CA C 34 59.400 59.400 61.997 -2.597 19452 9281 1 18 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.296 -1.796 19452 9282 1 18 . 1 1 34 34 ILE H H 34 7.850 7.850 7.657 0.193 19452 9283 1 18 . 1 1 35 35 LEU N N 35 128.400 128.400 121.223 7.177 19452 9284 1 18 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.151 0.519 19452 9285 1 18 . 1 1 35 35 LEU C C 35 173.700 173.700 178.507 -4.807 19452 9286 1 18 . 1 1 35 35 LEU CA C 35 54.900 54.900 57.709 -2.809 19452 9287 1 18 . 1 1 35 35 LEU CB C 35 42.400 42.400 42.213 0.187 19452 9288 1 18 . 1 1 35 35 LEU H H 35 8.100 8.100 7.969 0.131 19452 9289 1 18 . 1 1 36 36 ILE N N 36 128.800 128.800 121.076 7.724 19452 9290 1 18 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.839 1.211 19452 9291 1 18 . 1 1 36 36 ILE C C 36 175.800 175.800 177.223 -1.423 19452 9292 1 18 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.489 -4.689 19452 9293 1 18 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.746 2.154 19452 9294 1 18 . 1 1 36 36 ILE H H 36 9.320 9.320 7.681 1.639 19452 9295 1 18 . 1 1 37 37 LEU N N 37 129.600 129.600 119.879 9.721 19452 9296 1 18 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.318 0.952 19452 9297 1 18 . 1 1 37 37 LEU C C 37 175.500 175.500 176.652 -1.152 19452 9298 1 18 . 1 1 37 37 LEU CA C 37 54.000 54.000 55.215 -1.214 19452 9299 1 18 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.493 2.307 19452 9300 1 18 . 1 1 37 37 LEU H H 37 9.400 9.400 7.715 1.685 19452 9301 1 18 . 1 1 38 38 VAL N N 38 120.100 120.100 123.553 -3.453 19452 9302 1 18 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.950 0.640 19452 9303 1 18 . 1 1 38 38 VAL C C 38 174.000 174.000 175.475 -1.475 19452 9304 1 18 . 1 1 38 38 VAL CA C 38 61.100 61.100 63.670 -2.570 19452 9305 1 18 . 1 1 38 38 VAL CB C 38 33.500 33.500 31.277 2.223 19452 9306 1 18 . 1 1 38 38 VAL H H 38 9.440 9.440 7.581 1.859 19452 9307 1 18 . 1 1 39 39 ASP N N 39 125.600 125.600 126.923 -1.323 19452 9308 1 18 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.760 0.410 19452 9309 1 18 . 1 1 39 39 ASP CA C 39 51.900 51.900 53.949 -2.049 19452 9310 1 18 . 1 1 39 39 ASP CB C 39 38.800 38.800 40.785 -1.985 19452 9311 1 18 . 1 1 39 39 ASP H H 39 9.240 9.240 8.442 0.798 19452 9312 1 18 . 1 1 40 40 PHE N N 40 119.600 119.600 120.128 -0.528 19452 9313 1 18 . 1 1 40 40 PHE H H 40 8.860 8.860 7.890 0.970 19452 9314 1 18 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.488 -0.078 19452 9315 1 18 . 1 1 53 53 PRO CA C 53 65.500 65.500 62.496 3.004 19452 9316 1 18 . 1 1 53 53 PRO CB C 53 30.800 30.800 34.984 -4.184 19452 9317 1 18 . 1 1 54 54 GLN N N 54 115.300 115.300 121.757 -6.457 19452 9318 1 18 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.260 -0.060 19452 9319 1 18 . 1 1 54 54 GLN C C 54 179.400 179.400 175.183 4.217 19452 9320 1 18 . 1 1 54 54 GLN CA C 54 58.000 58.000 57.889 0.111 19452 9321 1 18 . 1 1 54 54 GLN H H 54 7.080 7.080 8.658 -1.577 19452 9322 1 18 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.462 -0.472 19452 9323 1 18 . 1 1 55 55 LEU C C 55 178.700 178.700 176.493 2.207 19452 9324 1 18 . 1 1 55 55 LEU CA C 55 57.300 57.300 55.621 1.679 19452 9325 1 18 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.468 -1.168 19452 9326 1 18 . 1 1 56 56 GLU N N 56 118.900 118.900 121.989 -3.089 19452 9327 1 18 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.470 -0.630 19452 9328 1 18 . 1 1 56 56 GLU C C 56 179.100 179.100 175.871 3.229 19452 9329 1 18 . 1 1 56 56 GLU CA C 56 59.500 59.500 56.901 2.599 19452 9330 1 18 . 1 1 56 56 GLU CB C 56 29.000 29.000 29.336 -0.336 19452 9331 1 18 . 1 1 56 56 GLU H H 56 8.150 8.150 8.498 -0.348 19452 9332 1 18 . 1 1 57 57 LYS N N 57 117.000 117.000 123.238 -6.238 19452 9333 1 18 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.685 -0.615 19452 9334 1 18 . 1 1 57 57 LYS C C 57 179.800 179.800 176.869 2.931 19452 9335 1 18 . 1 1 57 57 LYS CA C 57 59.000 59.000 56.342 2.658 19452 9336 1 18 . 1 1 57 57 LYS CB C 57 31.900 31.900 32.705 -0.805 19452 9337 1 18 . 1 1 57 57 LYS H H 57 7.160 7.160 8.227 -1.067 19452 9338 1 18 . 1 1 58 58 LEU N N 58 119.900 119.900 123.033 -3.133 19452 9339 1 18 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.181 0.019 19452 9340 1 18 . 1 1 58 58 LEU C C 58 178.700 178.700 176.016 2.684 19452 9341 1 18 . 1 1 58 58 LEU CA C 58 57.700 57.700 55.960 1.740 19452 9342 1 18 . 1 1 58 58 LEU CB C 58 41.700 41.700 42.740 -1.040 19452 9343 1 18 . 1 1 58 58 LEU H H 58 7.650 7.650 8.227 -0.577 19452 9344 1 18 . 1 1 59 59 ALA N N 59 120.700 120.700 123.332 -2.632 19452 9345 1 18 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.310 -0.450 19452 9346 1 18 . 1 1 59 59 ALA C C 59 180.000 180.000 176.771 3.229 19452 9347 1 18 . 1 1 59 59 ALA CA C 59 54.600 54.600 51.816 2.784 19452 9348 1 18 . 1 1 59 59 ALA CB C 59 18.000 18.000 20.754 -2.754 19452 9349 1 18 . 1 1 59 59 ALA H H 59 8.440 8.440 8.000 0.440 19452 9350 1 18 . 1 1 60 60 GLN N N 60 113.100 113.100 123.012 -9.912 19452 9351 1 18 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.666 -0.606 19452 9352 1 18 . 1 1 60 60 GLN C C 60 177.800 177.800 174.435 3.365 19452 9353 1 18 . 1 1 60 60 GLN CA C 60 57.500 57.500 51.968 5.532 19452 9354 1 18 . 1 1 60 60 GLN CB C 60 28.800 28.800 27.439 1.361 19452 9355 1 18 . 1 1 60 60 GLN H H 60 7.340 7.340 8.223 -0.883 19452 9356 1 18 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.316 -0.286 19452 9357 1 18 . 1 1 61 61 GLN C C 61 177.300 177.300 176.735 0.565 19452 9358 1 18 . 1 1 61 61 GLN CA C 61 57.800 57.800 56.978 0.822 19452 9359 1 18 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.206 -0.206 19452 9360 1 18 . 1 1 62 62 TYR N N 62 117.300 117.300 118.753 -1.453 19452 9361 1 18 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.203 0.777 19452 9362 1 18 . 1 1 62 62 TYR C C 62 175.800 175.800 178.197 -2.397 19452 9363 1 18 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.253 -4.153 19452 9364 1 18 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.505 0.395 19452 9365 1 18 . 1 1 62 62 TYR H H 62 7.950 7.950 8.484 -0.534 19452 9366 1 18 . 1 1 63 63 THR N N 63 111.900 111.900 112.484 -0.584 19452 9367 1 18 . 1 1 63 63 THR HA H 63 4.190 4.190 4.037 0.153 19452 9368 1 18 . 1 1 63 63 THR C C 63 175.700 175.700 176.921 -1.221 19452 9369 1 18 . 1 1 63 63 THR CA C 63 64.600 64.600 65.513 -0.912 19452 9370 1 18 . 1 1 63 63 THR CB C 63 69.200 69.200 67.793 1.407 19452 9371 1 18 . 1 1 63 63 THR H H 63 7.110 7.110 7.523 -0.413 19452 9372 1 18 . 1 1 64 64 GLU N N 64 117.500 117.500 118.175 -0.675 19452 9373 1 18 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.991 0.309 19452 9374 1 18 . 1 1 64 64 GLU C C 64 177.400 177.400 178.996 -1.596 19452 9375 1 18 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.311 -1.311 19452 9376 1 18 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.151 0.949 19452 9377 1 18 . 1 1 64 64 GLU H H 64 8.610 8.610 7.908 0.702 19452 9378 1 18 . 1 1 65 65 ASN N N 65 113.300 113.300 118.938 -5.638 19452 9379 1 18 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.390 0.600 19452 9380 1 18 . 1 1 65 65 ASN C C 65 173.600 173.600 177.818 -4.218 19452 9381 1 18 . 1 1 65 65 ASN CA C 65 54.000 54.000 56.409 -2.409 19452 9382 1 18 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.409 2.691 19452 9383 1 18 . 1 1 65 65 ASN H H 65 8.050 8.050 8.266 -0.216 19452 9384 1 18 . 1 1 66 66 VAL N N 66 119.200 119.200 117.452 1.748 19452 9385 1 18 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.886 1.654 19452 9386 1 18 . 1 1 66 66 VAL C C 66 174.900 174.900 177.987 -3.087 19452 9387 1 18 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.087 -4.187 19452 9388 1 18 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.888 4.812 19452 9389 1 18 . 1 1 66 66 VAL H H 66 7.890 7.890 8.017 -0.127 19452 9390 1 18 . 1 1 67 67 LYS N N 67 127.600 127.600 119.669 7.931 19452 9391 1 18 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.883 0.677 19452 9392 1 18 . 1 1 67 67 LYS C C 67 173.600 173.600 178.444 -4.844 19452 9393 1 18 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.450 -5.350 19452 9394 1 18 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.681 4.519 19452 9395 1 18 . 1 1 67 67 LYS H H 67 8.700 8.700 8.249 0.451 19452 9396 1 18 . 1 1 68 68 ILE N N 68 123.200 123.200 116.215 6.985 19452 9397 1 18 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.866 0.714 19452 9398 1 18 . 1 1 68 68 ILE C C 68 173.900 173.900 179.016 -5.116 19452 9399 1 18 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.495 -2.995 19452 9400 1 18 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.951 0.549 19452 9401 1 18 . 1 1 68 68 ILE H H 68 8.770 8.770 7.611 1.159 19452 9402 1 18 . 1 1 69 69 TYR N N 69 124.400 124.400 117.858 6.542 19452 9403 1 18 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.249 1.411 19452 9404 1 18 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.169 -4.569 19452 9405 1 18 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.734 4.666 19452 9406 1 18 . 1 1 69 69 TYR H H 69 9.060 9.060 7.459 1.601 19452 9407 1 18 . 1 1 73 73 ILE C C 73 177.400 177.400 173.782 3.618 19452 9408 1 18 . 1 1 73 73 ILE CA C 73 62.600 62.600 60.978 1.622 19452 9409 1 18 . 1 1 74 74 GLU N N 74 121.800 121.800 120.110 1.690 19452 9410 1 18 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.752 -0.472 19452 9411 1 18 . 1 1 74 74 GLU C C 74 177.800 177.800 174.785 3.015 19452 9412 1 18 . 1 1 74 74 GLU CA C 74 58.900 58.900 54.902 3.998 19452 9413 1 18 . 1 1 74 74 GLU CB C 74 29.700 29.700 32.624 -2.924 19452 9414 1 18 . 1 1 74 74 GLU H H 74 8.560 8.560 7.894 0.666 19452 9415 1 18 . 1 1 75 75 ASP N N 75 114.200 114.200 124.524 -10.324 19452 9416 1 18 . 1 1 75 75 ASP C C 75 175.800 175.800 174.164 1.636 19452 9417 1 18 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.357 2.643 19452 9418 1 18 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.386 -2.586 19452 9419 1 18 . 1 1 75 75 ASP H H 75 6.840 6.840 8.924 -2.084 19452 9420 1 18 . 1 1 76 76 ASN N N 76 118.400 118.400 118.043 0.357 19452 9421 1 18 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.407 -0.387 19452 9422 1 18 . 1 1 76 76 ASN C C 76 174.000 174.000 173.389 0.611 19452 9423 1 18 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.267 1.433 19452 9424 1 18 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.047 -0.447 19452 9425 1 18 . 1 1 76 76 ASN H H 76 7.600 7.600 8.232 -0.632 19452 9426 1 18 . 1 1 77 77 GLN N N 77 122.000 122.000 123.966 -1.966 19452 9427 1 18 . 1 1 77 77 GLN HA H 77 4.740 4.740 5.008 -0.268 19452 9428 1 18 . 1 1 77 77 GLN C C 77 177.800 177.800 174.346 3.454 19452 9429 1 18 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.883 2.517 19452 9430 1 18 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.510 -2.910 19452 9431 1 18 . 1 1 77 77 GLN H H 77 9.040 9.040 8.877 0.163 19452 9432 1 18 . 1 1 78 78 ASP N N 78 125.900 125.900 116.824 9.076 19452 9433 1 18 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.389 -0.979 19452 9434 1 18 . 1 1 78 78 ASP C C 78 178.900 178.900 174.031 4.869 19452 9435 1 18 . 1 1 78 78 ASP CA C 78 58.700 58.700 52.382 6.318 19452 9436 1 18 . 1 1 78 78 ASP CB C 78 40.000 40.000 45.541 -5.541 19452 9437 1 18 . 1 1 78 78 ASP H H 78 10.210 10.210 8.488 1.722 19452 9438 1 18 . 1 1 79 79 VAL N N 79 123.800 123.800 118.266 5.534 19452 9439 1 18 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.664 -1.174 19452 9440 1 18 . 1 1 79 79 VAL C C 79 178.400 178.400 175.518 2.882 19452 9441 1 18 . 1 1 79 79 VAL CA C 79 66.500 66.500 59.965 6.535 19452 9442 1 18 . 1 1 79 79 VAL CB C 79 30.500 30.500 34.486 -3.986 19452 9443 1 18 . 1 1 79 79 VAL H H 79 8.130 8.130 8.670 -0.540 19452 9444 1 18 . 1 1 80 80 ALA N N 80 121.800 121.800 130.197 -8.397 19452 9445 1 18 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.169 -0.659 19452 9446 1 18 . 1 1 80 80 ALA C C 80 179.600 179.600 177.800 1.800 19452 9447 1 18 . 1 1 80 80 ALA CA C 80 54.900 54.900 54.240 0.660 19452 9448 1 18 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.453 -2.153 19452 9449 1 18 . 1 1 80 80 ALA H H 80 9.250 9.250 8.300 0.950 19452 9450 1 18 . 1 1 81 81 THR N N 81 113.200 113.200 114.943 -1.743 19452 9451 1 18 . 1 1 81 81 THR HA H 81 3.960 3.960 4.219 -0.259 19452 9452 1 18 . 1 1 81 81 THR C C 81 177.700 177.700 175.396 2.304 19452 9453 1 18 . 1 1 81 81 THR CA C 81 66.400 66.400 61.438 4.963 19452 9454 1 18 . 1 1 81 81 THR CB C 81 68.500 68.500 69.359 -0.859 19452 9455 1 18 . 1 1 81 81 THR H H 81 7.990 7.990 8.023 -0.033 19452 9456 1 18 . 1 1 82 82 GLN N N 82 123.800 123.800 127.979 -4.179 19452 9457 1 18 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.258 -0.408 19452 9458 1 18 . 1 1 82 82 GLN C C 82 177.900 177.900 174.969 2.931 19452 9459 1 18 . 1 1 82 82 GLN CA C 82 58.900 58.900 56.756 2.144 19452 9460 1 18 . 1 1 82 82 GLN CB C 82 28.000 28.000 28.691 -0.691 19452 9461 1 18 . 1 1 82 82 GLN H H 82 8.170 8.170 8.605 -0.435 19452 9462 1 18 . 1 1 83 83 TYR N N 83 112.900 112.900 117.767 -4.867 19452 9463 1 18 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.382 0.048 19452 9464 1 18 . 1 1 83 83 TYR C C 83 175.300 175.300 175.324 -0.024 19452 9465 1 18 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.446 0.554 19452 9466 1 18 . 1 1 83 83 TYR CB C 83 38.500 38.500 38.151 0.349 19452 9467 1 18 . 1 1 83 83 TYR H H 83 7.780 7.780 8.119 -0.339 19452 9468 1 18 . 1 1 84 84 GLY N N 84 110.200 110.200 107.934 2.266 19452 9469 1 18 . 1 1 84 84 GLY C C 84 175.300 175.300 172.652 2.648 19452 9470 1 18 . 1 1 84 84 GLY CA C 84 47.100 47.100 45.271 1.829 19452 9471 1 18 . 1 1 84 84 GLY H H 84 7.670 7.670 7.227 0.443 19452 9472 1 18 . 1 1 85 85 VAL N N 85 121.300 121.300 120.686 0.614 19452 9473 1 18 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.281 -0.411 19452 9474 1 18 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.584 1.416 19452 9475 1 18 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.122 -2.622 19452 9476 1 18 . 1 1 85 85 VAL H H 85 8.500 8.500 7.746 0.754 19452 9477 1 18 . 1 1 90 90 THR HA H 90 5.170 5.170 3.968 1.202 19452 9478 1 18 . 1 1 90 90 THR C C 90 172.300 172.300 176.810 -4.510 19452 9479 1 18 . 1 1 90 90 THR CA C 90 63.500 63.500 64.682 -1.182 19452 9480 1 18 . 1 1 90 90 THR CB C 90 73.300 73.300 68.554 4.746 19452 9481 1 18 . 1 1 91 91 ILE N N 91 126.600 126.600 116.968 9.632 19452 9482 1 18 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.097 1.493 19452 9483 1 18 . 1 1 91 91 ILE C C 91 175.900 175.900 176.608 -0.708 19452 9484 1 18 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.095 -2.695 19452 9485 1 18 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.356 1.644 19452 9486 1 18 . 1 1 91 91 ILE H H 91 9.340 9.340 7.677 1.663 19452 9487 1 18 . 1 1 92 92 LEU N N 92 125.700 125.700 117.145 8.555 19452 9488 1 18 . 1 1 92 92 LEU HA H 92 5.120 5.120 4.051 1.069 19452 9489 1 18 . 1 1 92 92 LEU C C 92 176.100 176.100 176.190 -0.090 19452 9490 1 18 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.527 -1.427 19452 9491 1 18 . 1 1 92 92 LEU H H 92 9.120 9.120 7.261 1.859 19452 9492 1 18 . 1 1 93 93 MET N N 93 117.700 117.700 121.847 -4.147 19452 9493 1 18 . 1 1 93 93 MET HA H 93 5.860 5.860 4.704 1.156 19452 9494 1 18 . 1 1 93 93 MET C C 93 174.400 174.400 174.975 -0.575 19452 9495 1 18 . 1 1 93 93 MET CA C 93 54.400 54.400 54.623 -0.223 19452 9496 1 18 . 1 1 93 93 MET CB C 93 34.100 34.100 31.698 2.402 19452 9497 1 18 . 1 1 93 93 MET H H 93 8.080 8.080 8.206 -0.126 19452 9498 1 18 . 1 1 94 94 PHE N N 94 123.300 123.300 122.549 0.751 19452 9499 1 18 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.364 1.206 19452 9500 1 18 . 1 1 94 94 PHE C C 94 174.800 174.800 175.175 -0.375 19452 9501 1 18 . 1 1 94 94 PHE CA C 94 55.900 55.900 58.415 -2.515 19452 9502 1 18 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.523 5.277 19452 9503 1 18 . 1 1 94 94 PHE H H 94 9.990 9.990 8.254 1.736 19452 9504 1 18 . 1 1 95 95 LYS N N 95 117.100 117.100 120.635 -3.535 19452 9505 1 18 . 1 1 95 95 LYS C C 95 176.500 176.500 174.403 2.097 19452 9506 1 18 . 1 1 95 95 LYS CA C 95 57.500 57.500 56.305 1.195 19452 9507 1 18 . 1 1 95 95 LYS CB C 95 37.200 37.200 34.121 3.079 19452 9508 1 18 . 1 1 95 95 LYS H H 95 8.630 8.630 7.263 1.367 19452 9509 1 18 . 1 1 96 96 ASN N N 96 130.400 130.400 115.187 15.213 19452 9510 1 18 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.576 0.244 19452 9511 1 18 . 1 1 96 96 ASN C C 96 175.900 175.900 173.324 2.576 19452 9512 1 18 . 1 1 96 96 ASN CA C 96 54.500 54.500 52.598 1.902 19452 9513 1 18 . 1 1 96 96 ASN CB C 96 36.900 36.900 38.656 -1.756 19452 9514 1 18 . 1 1 96 96 ASN H H 96 10.190 10.190 8.559 1.631 19452 9515 1 18 . 1 1 97 97 GLY C C 97 173.700 173.700 173.569 0.131 19452 9516 1 18 . 1 1 97 97 GLY CA C 97 46.000 46.000 44.892 1.108 19452 9517 1 18 . 1 1 98 98 LYS N N 98 120.300 120.300 125.363 -5.063 19452 9518 1 18 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.710 0.030 19452 9519 1 18 . 1 1 98 98 LYS C C 98 175.500 175.500 175.040 0.460 19452 9520 1 18 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.580 -0.880 19452 9521 1 18 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.161 -1.961 19452 9522 1 18 . 1 1 98 98 LYS H H 98 7.840 7.840 8.255 -0.415 19452 9523 1 18 . 1 1 99 99 LYS N N 99 124.900 124.900 121.897 3.003 19452 9524 1 18 . 1 1 99 99 LYS HA H 99 3.610 3.610 4.733 -1.123 19452 9525 1 18 . 1 1 99 99 LYS C C 99 176.300 176.300 174.900 1.400 19452 9526 1 18 . 1 1 99 99 LYS CA C 99 56.600 56.600 54.930 1.670 19452 9527 1 18 . 1 1 99 99 LYS CB C 99 31.500 31.500 35.333 -3.833 19452 9528 1 18 . 1 1 99 99 LYS H H 99 8.880 8.880 8.708 0.172 19452 9529 1 18 . 1 1 100 100 LEU N N 100 128.800 128.800 126.152 2.648 19452 9530 1 18 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.668 -0.228 19452 9531 1 18 . 1 1 100 100 LEU C C 100 177.400 177.400 175.403 1.997 19452 9532 1 18 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.835 1.465 19452 9533 1 18 . 1 1 100 100 LEU CB C 100 44.100 44.100 45.139 -1.040 19452 9534 1 18 . 1 1 100 100 LEU H H 100 9.320 9.320 8.561 0.759 19452 9535 1 18 . 1 1 101 101 SER N N 101 109.000 109.000 117.454 -8.454 19452 9536 1 18 . 1 1 101 101 SER HA H 101 4.550 4.550 4.964 -0.414 19452 9537 1 18 . 1 1 101 101 SER C C 101 172.400 172.400 173.405 -1.005 19452 9538 1 18 . 1 1 101 101 SER CA C 101 57.200 57.200 57.899 -0.699 19452 9539 1 18 . 1 1 101 101 SER CB C 101 64.400 64.400 64.105 0.295 19452 9540 1 18 . 1 1 101 101 SER H H 101 7.260 7.260 8.909 -1.649 19452 9541 1 18 . 1 1 102 102 GLN N N 102 119.900 119.900 123.226 -3.326 19452 9542 1 18 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.568 -0.348 19452 9543 1 18 . 1 1 102 102 GLN C C 102 173.800 173.800 175.013 -1.213 19452 9544 1 18 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.635 0.765 19452 9545 1 18 . 1 1 102 102 GLN CB C 102 31.800 31.800 32.875 -1.075 19452 9546 1 18 . 1 1 102 102 GLN H H 102 8.230 8.230 8.906 -0.676 19452 9547 1 18 . 1 1 103 103 VAL N N 103 123.800 123.800 120.807 2.993 19452 9548 1 18 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.400 -0.070 19452 9549 1 18 . 1 1 103 103 VAL C C 103 174.600 174.600 175.292 -0.692 19452 9550 1 18 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.392 -0.692 19452 9551 1 18 . 1 1 103 103 VAL CB C 103 34.600 34.600 35.147 -0.547 19452 9552 1 18 . 1 1 103 103 VAL H H 103 9.310 9.310 9.092 0.218 19452 9553 1 18 . 1 1 104 104 ILE N N 104 129.400 129.400 127.887 1.513 19452 9554 1 18 . 1 1 104 104 ILE C C 104 176.400 176.400 175.952 0.448 19452 9555 1 18 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.668 -1.168 19452 9556 1 18 . 1 1 104 104 ILE CB C 104 38.700 38.700 37.182 1.518 19452 9557 1 18 . 1 1 104 104 ILE H H 104 8.970 8.970 9.053 -0.083 19452 9558 1 18 . 1 1 105 105 GLY N N 105 115.400 115.400 102.432 12.968 19452 9559 1 18 . 1 1 105 105 GLY C C 105 172.700 172.700 173.696 -0.996 19452 9560 1 18 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.342 -1.642 19452 9561 1 18 . 1 1 105 105 GLY H H 105 8.500 8.500 8.592 -0.092 19452 9562 1 18 . 1 1 106 106 ALA N N 106 120.200 120.200 121.857 -1.657 19452 9563 1 18 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.697 -0.317 19452 9564 1 18 . 1 1 106 106 ALA C C 106 176.300 176.300 175.723 0.577 19452 9565 1 18 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.244 0.256 19452 9566 1 18 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.085 -3.685 19452 9567 1 18 . 1 1 106 106 ALA H H 106 8.360 8.360 7.736 0.624 19452 9568 1 18 . 1 1 107 107 ASP N N 107 121.100 121.100 123.273 -2.173 19452 9569 1 18 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.449 -0.679 19452 9570 1 18 . 1 1 107 107 ASP C C 107 176.600 176.600 175.314 1.286 19452 9571 1 18 . 1 1 107 107 ASP CA C 107 52.600 52.600 53.618 -1.018 19452 9572 1 18 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.923 -1.323 19452 9573 1 18 . 1 1 107 107 ASP H H 107 7.610 7.610 8.625 -1.015 19452 9574 1 18 . 1 1 108 108 ILE N N 108 125.700 125.700 122.022 3.678 19452 9575 1 18 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.503 -0.493 19452 9576 1 18 . 1 1 108 108 ILE C C 108 176.400 176.400 175.964 0.436 19452 9577 1 18 . 1 1 108 108 ILE CA C 108 60.700 60.700 60.838 -0.138 19452 9578 1 18 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.130 0.169 19452 9579 1 18 . 1 1 108 108 ILE H H 108 8.550 8.550 8.464 0.086 19452 9580 1 18 . 1 1 109 109 SER N N 109 117.700 117.700 111.100 6.600 19452 9581 1 18 . 1 1 109 109 SER HA H 109 4.180 4.180 4.535 -0.355 19452 9582 1 18 . 1 1 109 109 SER C C 109 177.300 177.300 171.982 5.318 19452 9583 1 18 . 1 1 109 109 SER CA C 109 61.700 61.700 58.060 3.640 19452 9584 1 18 . 1 1 109 109 SER CB C 109 62.100 62.100 65.532 -3.432 19452 9585 1 18 . 1 1 109 109 SER H H 109 8.330 8.330 7.473 0.857 19452 9586 1 18 . 1 1 110 110 LYS N N 110 123.200 123.200 121.323 1.877 19452 9587 1 18 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.879 -0.659 19452 9588 1 18 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.252 2.848 19452 9589 1 18 . 1 1 110 110 LYS CB C 110 32.300 32.300 35.127 -2.827 19452 9590 1 18 . 1 1 110 110 LYS H H 110 7.480 7.480 8.534 -1.054 19452 9591 1 18 . 1 1 111 111 ILE N N 111 119.300 119.300 124.965 -5.665 19452 9592 1 18 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.109 -0.079 19452 9593 1 18 . 1 1 111 111 ILE C C 111 177.200 177.200 174.844 2.356 19452 9594 1 18 . 1 1 111 111 ILE CA C 111 61.100 61.100 61.577 -0.477 19452 9595 1 18 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.003 -1.203 19452 9596 1 18 . 1 1 111 111 ILE H H 111 7.640 7.640 8.351 -0.711 19452 9597 1 18 . 1 1 112 112 ILE N N 112 118.700 118.700 127.902 -9.202 19452 9598 1 18 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.212 -0.782 19452 9599 1 18 . 1 1 112 112 ILE C C 112 177.700 177.700 176.115 1.585 19452 9600 1 18 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.677 5.423 19452 9601 1 18 . 1 1 112 112 ILE CB C 112 38.500 38.500 37.774 0.726 19452 9602 1 18 . 1 1 112 112 ILE H H 112 8.410 8.410 8.409 0.001 19452 9603 1 18 . 1 1 113 113 SER N N 113 113.800 113.800 123.257 -9.457 19452 9604 1 18 . 1 1 113 113 SER HA H 113 4.200 4.200 4.302 -0.102 19452 9605 1 18 . 1 1 113 113 SER C C 113 177.200 177.200 172.735 4.465 19452 9606 1 18 . 1 1 113 113 SER CA C 113 62.000 62.000 57.619 4.381 19452 9607 1 18 . 1 1 113 113 SER H H 113 7.920 7.920 8.272 -0.352 19452 9608 1 18 . 1 1 114 114 GLU N N 114 119.400 119.400 122.179 -2.779 19452 9609 1 18 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.506 -0.356 19452 9610 1 18 . 1 1 114 114 GLU C C 114 179.900 179.900 175.002 4.898 19452 9611 1 18 . 1 1 114 114 GLU CA C 114 58.500 58.500 55.544 2.955 19452 9612 1 18 . 1 1 114 114 GLU CB C 114 27.300 27.300 29.895 -2.595 19452 9613 1 18 . 1 1 114 114 GLU H H 114 8.010 8.010 8.458 -0.448 19452 9614 1 18 . 1 1 115 115 ILE N N 115 121.700 121.700 124.473 -2.773 19452 9615 1 18 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.385 -1.005 19452 9616 1 18 . 1 1 115 115 ILE C C 115 178.100 178.100 175.382 2.718 19452 9617 1 18 . 1 1 115 115 ILE CA C 115 66.000 66.000 60.829 5.171 19452 9618 1 18 . 1 1 115 115 ILE CB C 115 37.700 37.700 40.310 -2.610 19452 9619 1 18 . 1 1 115 115 ILE H H 115 8.370 8.370 8.172 0.198 19452 9620 1 18 . 1 1 116 116 ASN N N 116 116.100 116.100 125.323 -9.223 19452 9621 1 18 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.380 -0.050 19452 9622 1 18 . 1 1 116 116 ASN C C 116 177.900 177.900 175.980 1.920 19452 9623 1 18 . 1 1 116 116 ASN CA C 116 55.900 55.900 54.776 1.124 19452 9624 1 18 . 1 1 116 116 ASN CB C 116 37.600 37.600 39.098 -1.498 19452 9625 1 18 . 1 1 116 116 ASN H H 116 8.230 8.230 8.880 -0.650 19452 9626 1 18 . 1 1 117 117 ASN N N 117 115.400 115.400 117.300 -1.900 19452 9627 1 18 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.410 0.220 19452 9628 1 18 . 1 1 117 117 ASN C C 117 176.200 176.200 177.690 -1.490 19452 9629 1 18 . 1 1 117 117 ASN CA C 117 54.300 54.300 56.136 -1.837 19452 9630 1 18 . 1 1 117 117 ASN CB C 117 39.100 39.100 38.012 1.088 19452 9631 1 18 . 1 1 117 117 ASN H H 117 7.930 7.930 8.234 -0.304 19452 9632 1 18 . 1 1 118 118 ASN N N 118 115.400 115.400 120.993 -5.593 19452 9633 1 18 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.605 0.405 19452 9634 1 18 . 1 1 118 118 ASN C C 118 174.400 174.400 177.392 -2.992 19452 9635 1 18 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.237 -1.037 19452 9636 1 18 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.416 3.784 19452 9637 1 18 . 1 1 118 118 ASN H H 118 7.710 7.710 7.914 -0.204 19452 9638 1 18 . 1 1 119 119 ILE N N 119 117.300 117.300 117.567 -0.267 19452 9639 1 18 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.752 0.568 19452 9640 1 18 . 1 1 119 119 ILE C C 119 174.900 174.900 177.946 -3.046 19452 9641 1 18 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.947 -2.747 19452 9642 1 18 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.372 1.828 19452 9643 1 18 . 1 1 119 119 ILE H H 119 7.520 7.520 8.030 -0.510 19452 9644 1 18 . 1 1 120 120 ASN N N 120 124.900 124.900 114.411 10.489 19452 9645 1 18 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.560 -0.050 19452 9646 1 18 . 1 1 120 120 ASN CA C 120 55.000 55.000 56.018 -1.018 19452 9647 1 18 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.954 2.246 19452 9648 1 18 . 1 1 120 120 ASN H H 120 7.960 7.960 8.060 -0.100 19452 9649 1 19 . 1 1 2 2 GLY N N 2 109.900 109.900 114.122 -4.222 19452 9650 1 19 . 1 1 2 2 GLY C C 2 174.400 174.400 173.300 1.100 19452 9651 1 19 . 1 1 2 2 GLY CA C 2 45.600 45.600 44.894 0.706 19452 9652 1 19 . 1 1 2 2 GLY H H 2 8.480 8.480 8.636 -0.156 19452 9653 1 19 . 1 1 3 3 THR N N 3 113.700 113.700 114.762 -1.062 19452 9654 1 19 . 1 1 3 3 THR C C 3 174.900 174.900 172.775 2.125 19452 9655 1 19 . 1 1 3 3 THR CA C 3 62.400 62.400 61.372 1.028 19452 9656 1 19 . 1 1 3 3 THR CB C 3 70.000 70.000 70.131 -0.131 19452 9657 1 19 . 1 1 3 3 THR H H 3 8.090 8.090 8.476 -0.386 19452 9658 1 19 . 1 1 4 4 LEU N N 4 124.100 124.100 119.271 4.829 19452 9659 1 19 . 1 1 4 4 LEU C C 4 177.600 177.600 175.570 2.030 19452 9660 1 19 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.063 1.637 19452 9661 1 19 . 1 1 4 4 LEU CB C 4 42.300 42.300 44.902 -2.602 19452 9662 1 19 . 1 1 4 4 LEU H H 4 8.400 8.400 8.930 -0.530 19452 9663 1 19 . 1 1 5 5 GLU N N 5 121.600 121.600 121.068 0.532 19452 9664 1 19 . 1 1 5 5 GLU C C 5 176.500 176.500 175.880 0.620 19452 9665 1 19 . 1 1 5 5 GLU CA C 5 57.000 57.000 55.939 1.061 19452 9666 1 19 . 1 1 5 5 GLU CB C 5 29.900 29.900 31.255 -1.355 19452 9667 1 19 . 1 1 5 5 GLU H H 5 8.430 8.430 8.253 0.177 19452 9668 1 19 . 1 1 6 6 ALA N N 6 124.500 124.500 122.944 1.556 19452 9669 1 19 . 1 1 6 6 ALA C C 6 177.900 177.900 177.449 0.451 19452 9670 1 19 . 1 1 6 6 ALA CA C 6 52.900 52.900 50.835 2.065 19452 9671 1 19 . 1 1 6 6 ALA CB C 6 19.200 19.200 20.682 -1.482 19452 9672 1 19 . 1 1 6 6 ALA H H 6 8.330 8.330 8.488 -0.158 19452 9673 1 19 . 1 1 7 7 GLN N N 7 119.200 119.200 119.574 -0.374 19452 9674 1 19 . 1 1 7 7 GLN C C 7 176.400 176.400 174.988 1.412 19452 9675 1 19 . 1 1 7 7 GLN CA C 7 56.000 56.000 56.179 -0.179 19452 9676 1 19 . 1 1 7 7 GLN CB C 7 29.200 29.200 30.047 -0.847 19452 9677 1 19 . 1 1 7 7 GLN H H 7 8.400 8.400 7.383 1.017 19452 9678 1 19 . 1 1 8 8 THR N N 8 115.100 115.100 116.174 -1.074 19452 9679 1 19 . 1 1 8 8 THR C C 8 174.500 174.500 173.436 1.064 19452 9680 1 19 . 1 1 8 8 THR CA C 8 62.300 62.300 61.901 0.399 19452 9681 1 19 . 1 1 8 8 THR CB C 8 70.000 70.000 66.381 3.619 19452 9682 1 19 . 1 1 8 8 THR H H 8 8.210 8.210 6.824 1.386 19452 9683 1 19 . 1 1 9 9 GLN N N 9 122.300 122.300 123.503 -1.203 19452 9684 1 19 . 1 1 9 9 GLN C C 9 176.100 176.100 174.069 2.031 19452 9685 1 19 . 1 1 9 9 GLN CA C 9 55.900 55.900 56.010 -0.110 19452 9686 1 19 . 1 1 9 9 GLN CB C 9 29.500 29.500 30.566 -1.066 19452 9687 1 19 . 1 1 9 9 GLN H H 9 8.470 8.470 7.967 0.503 19452 9688 1 19 . 1 1 10 10 GLY N N 10 110.300 110.300 114.356 -4.056 19452 9689 1 19 . 1 1 10 10 GLY CA C 10 44.400 44.400 45.588 -1.188 19452 9690 1 19 . 1 1 10 10 GLY H H 10 8.360 8.360 8.374 -0.014 19452 9691 1 19 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.762 -0.322 19452 9692 1 19 . 1 1 11 11 PRO C C 11 177.800 177.800 176.064 1.736 19452 9693 1 19 . 1 1 11 11 PRO CA C 11 63.300 63.300 62.839 0.461 19452 9694 1 19 . 1 1 11 11 PRO CB C 11 32.000 32.000 33.621 -1.621 19452 9695 1 19 . 1 1 12 12 GLY N N 12 109.600 109.600 109.236 0.364 19452 9696 1 19 . 1 1 12 12 GLY CA C 12 44.900 44.900 45.881 -0.981 19452 9697 1 19 . 1 1 12 12 GLY H H 12 8.600 8.600 8.375 0.225 19452 9698 1 19 . 1 1 13 13 SER N N 13 114.700 114.700 117.391 -2.691 19452 9699 1 19 . 1 1 13 13 SER HA H 13 4.510 4.510 4.566 -0.056 19452 9700 1 19 . 1 1 13 13 SER C C 13 175.300 175.300 173.627 1.673 19452 9701 1 19 . 1 1 13 13 SER CA C 13 57.800 57.800 57.568 0.232 19452 9702 1 19 . 1 1 13 13 SER CB C 13 62.300 62.300 62.841 -0.541 19452 9703 1 19 . 1 1 13 13 SER H H 13 8.130 8.130 8.417 -0.287 19452 9704 1 19 . 1 1 14 14 MET N N 14 124.300 124.300 125.302 -1.002 19452 9705 1 19 . 1 1 14 14 MET HA H 14 4.470 4.470 4.738 -0.268 19452 9706 1 19 . 1 1 14 14 MET CA C 14 55.700 55.700 55.529 0.171 19452 9707 1 19 . 1 1 14 14 MET CB C 14 32.700 32.700 33.139 -0.439 19452 9708 1 19 . 1 1 14 14 MET H H 14 9.430 9.430 8.594 0.836 19452 9709 1 19 . 1 1 15 15 ILE N N 15 122.600 122.600 119.516 3.084 19452 9710 1 19 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.284 -0.274 19452 9711 1 19 . 1 1 15 15 ILE C C 15 175.300 175.300 174.762 0.538 19452 9712 1 19 . 1 1 15 15 ILE CA C 15 60.700 60.700 60.378 0.322 19452 9713 1 19 . 1 1 15 15 ILE CB C 15 37.500 37.500 40.240 -2.740 19452 9714 1 19 . 1 1 15 15 ILE H H 15 8.520 8.520 7.922 0.598 19452 9715 1 19 . 1 1 16 16 GLU N N 16 129.300 129.300 116.470 12.830 19452 9716 1 19 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.166 0.204 19452 9717 1 19 . 1 1 16 16 GLU C C 16 175.500 175.500 175.845 -0.345 19452 9718 1 19 . 1 1 16 16 GLU CA C 16 56.100 56.100 57.533 -1.433 19452 9719 1 19 . 1 1 16 16 GLU CB C 16 31.400 31.400 29.443 1.957 19452 9720 1 19 . 1 1 16 16 GLU H H 16 8.220 8.220 8.166 0.054 19452 9721 1 19 . 1 1 17 17 GLN N N 17 124.500 124.500 118.679 5.821 19452 9722 1 19 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.414 0.706 19452 9723 1 19 . 1 1 17 17 GLN C C 17 176.000 176.000 175.120 0.880 19452 9724 1 19 . 1 1 17 17 GLN CA C 17 55.200 55.200 55.132 0.068 19452 9725 1 19 . 1 1 17 17 GLN CB C 17 30.400 30.400 29.343 1.057 19452 9726 1 19 . 1 1 17 17 GLN H H 17 8.810 8.810 7.970 0.840 19452 9727 1 19 . 1 1 18 18 ILE N N 18 118.700 118.700 120.277 -1.577 19452 9728 1 19 . 1 1 18 18 ILE C C 18 174.400 174.400 173.741 0.659 19452 9729 1 19 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.050 -1.450 19452 9730 1 19 . 1 1 18 18 ILE H H 18 8.840 8.840 7.822 1.018 19452 9731 1 19 . 1 1 19 19 GLY C C 19 174.800 174.800 175.005 -0.205 19452 9732 1 19 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.504 -1.403 19452 9733 1 19 . 1 1 20 20 ASP N N 20 119.100 119.100 118.150 0.950 19452 9734 1 19 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.394 0.196 19452 9735 1 19 . 1 1 20 20 ASP C C 20 179.900 179.900 176.483 3.417 19452 9736 1 19 . 1 1 20 20 ASP CA C 20 58.000 58.000 53.394 4.606 19452 9737 1 19 . 1 1 20 20 ASP H H 20 8.090 8.090 8.219 -0.129 19452 9738 1 19 . 1 1 21 21 SER N N 21 112.000 112.000 117.042 -5.042 19452 9739 1 19 . 1 1 21 21 SER HA H 21 4.320 4.320 4.263 0.057 19452 9740 1 19 . 1 1 21 21 SER CA C 21 60.700 60.700 60.998 -0.298 19452 9741 1 19 . 1 1 21 21 SER CB C 21 62.500 62.500 63.417 -0.917 19452 9742 1 19 . 1 1 21 21 SER H H 21 8.750 8.750 8.671 0.079 19452 9743 1 19 . 1 1 22 22 GLU N N 22 119.000 119.000 119.485 -0.485 19452 9744 1 19 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.457 0.123 19452 9745 1 19 . 1 1 22 22 GLU C C 22 176.000 176.000 176.557 -0.557 19452 9746 1 19 . 1 1 22 22 GLU CA C 22 56.200 56.200 56.635 -0.435 19452 9747 1 19 . 1 1 22 22 GLU CB C 22 31.600 31.600 29.849 1.751 19452 9748 1 19 . 1 1 22 22 GLU H H 22 7.660 7.660 8.057 -0.397 19452 9749 1 19 . 1 1 23 23 PHE N N 23 120.900 120.900 121.129 -0.229 19452 9750 1 19 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.522 -0.952 19452 9751 1 19 . 1 1 23 23 PHE C C 23 176.500 176.500 174.651 1.849 19452 9752 1 19 . 1 1 23 23 PHE CA C 23 63.100 63.100 58.654 4.446 19452 9753 1 19 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.184 1.516 19452 9754 1 19 . 1 1 23 23 PHE H H 23 7.490 7.490 8.004 -0.514 19452 9755 1 19 . 1 1 24 24 ASP N N 24 118.500 118.500 125.721 -7.221 19452 9756 1 19 . 1 1 24 24 ASP HA H 24 4.630 4.630 5.112 -0.482 19452 9757 1 19 . 1 1 24 24 ASP C C 24 178.400 178.400 174.822 3.578 19452 9758 1 19 . 1 1 24 24 ASP CA C 24 56.700 56.700 51.912 4.788 19452 9759 1 19 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.910 -3.710 19452 9760 1 19 . 1 1 24 24 ASP H H 24 8.900 8.900 8.906 -0.006 19452 9761 1 19 . 1 1 25 25 ASN N N 25 117.200 117.200 118.791 -1.591 19452 9762 1 19 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.944 -0.744 19452 9763 1 19 . 1 1 25 25 ASN C C 25 176.400 176.400 175.325 1.075 19452 9764 1 19 . 1 1 25 25 ASN CA C 25 56.000 56.000 53.348 2.652 19452 9765 1 19 . 1 1 25 25 ASN CB C 25 39.000 39.000 38.723 0.277 19452 9766 1 19 . 1 1 26 26 LYS N N 26 112.800 112.800 120.094 -7.294 19452 9767 1 19 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.704 -0.704 19452 9768 1 19 . 1 1 26 26 LYS C C 26 175.500 175.500 174.985 0.515 19452 9769 1 19 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.374 1.926 19452 9770 1 19 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.208 -2.208 19452 9771 1 19 . 1 1 26 26 LYS H H 26 7.730 7.730 8.391 -0.661 19452 9772 1 19 . 1 1 27 27 VAL N N 27 114.500 114.500 116.075 -1.575 19452 9773 1 19 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.322 -0.282 19452 9774 1 19 . 1 1 27 27 VAL C C 27 177.900 177.900 175.229 2.671 19452 9775 1 19 . 1 1 27 27 VAL CA C 27 63.700 63.700 60.603 3.097 19452 9776 1 19 . 1 1 27 27 VAL H H 27 7.680 7.680 8.124 -0.444 19452 9777 1 19 . 1 1 28 28 THR N N 28 110.000 110.000 112.972 -2.972 19452 9778 1 19 . 1 1 28 28 THR HA H 28 3.710 3.710 4.053 -0.343 19452 9779 1 19 . 1 1 28 28 THR C C 28 175.800 175.800 175.987 -0.187 19452 9780 1 19 . 1 1 28 28 THR CA C 28 65.200 65.200 64.892 0.308 19452 9781 1 19 . 1 1 28 28 THR CB C 28 68.100 68.100 69.061 -0.962 19452 9782 1 19 . 1 1 28 28 THR H H 28 7.010 7.010 8.464 -1.454 19452 9783 1 19 . 1 1 29 29 SER N N 29 113.600 113.600 112.897 0.703 19452 9784 1 19 . 1 1 29 29 SER HA H 29 4.480 4.480 4.306 0.174 19452 9785 1 19 . 1 1 29 29 SER C C 29 174.200 174.200 175.683 -1.483 19452 9786 1 19 . 1 1 29 29 SER CA C 29 58.500 58.500 59.974 -1.474 19452 9787 1 19 . 1 1 29 29 SER CB C 29 63.300 63.300 63.491 -0.191 19452 9788 1 19 . 1 1 29 29 SER H H 29 8.350 8.350 7.952 0.398 19452 9789 1 19 . 1 1 30 30 CYS N N 30 120.000 120.000 119.732 0.268 19452 9790 1 19 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.452 -0.332 19452 9791 1 19 . 1 1 30 30 CYS C C 30 174.200 174.200 175.654 -1.454 19452 9792 1 19 . 1 1 30 30 CYS CA C 30 69.700 69.700 58.703 10.997 19452 9793 1 19 . 1 1 30 30 CYS CB C 30 27.800 27.800 26.719 1.081 19452 9794 1 19 . 1 1 30 30 CYS H H 30 6.810 6.810 7.966 -1.156 19452 9795 1 19 . 1 1 31 31 ASN N N 31 124.300 124.300 121.075 3.225 19452 9796 1 19 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.215 0.895 19452 9797 1 19 . 1 1 31 31 ASN C C 31 174.900 174.900 175.990 -1.090 19452 9798 1 19 . 1 1 31 31 ASN CA C 31 52.400 52.400 57.192 -4.792 19452 9799 1 19 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.296 0.204 19452 9800 1 19 . 1 1 31 31 ASN H H 31 8.760 8.760 7.949 0.811 19452 9801 1 19 . 1 1 32 32 ASP N N 32 119.000 119.000 116.670 2.330 19452 9802 1 19 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.809 0.751 19452 9803 1 19 . 1 1 32 32 ASP C C 32 176.600 176.600 178.928 -2.328 19452 9804 1 19 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.642 -3.142 19452 9805 1 19 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.868 2.131 19452 9806 1 19 . 1 1 32 32 ASP H H 32 7.720 7.720 8.673 -0.953 19452 9807 1 19 . 1 1 33 33 ASN N N 33 115.400 115.400 117.759 -2.359 19452 9808 1 19 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.418 -0.248 19452 9809 1 19 . 1 1 33 33 ASN C C 33 173.700 173.700 176.395 -2.695 19452 9810 1 19 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.581 -1.281 19452 9811 1 19 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.640 -0.840 19452 9812 1 19 . 1 1 33 33 ASN H H 33 9.750 9.750 8.169 1.581 19452 9813 1 19 . 1 1 34 34 ILE N N 34 120.700 120.700 115.397 5.303 19452 9814 1 19 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.307 -0.287 19452 9815 1 19 . 1 1 34 34 ILE C C 34 175.500 175.500 176.991 -1.491 19452 9816 1 19 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.079 -2.679 19452 9817 1 19 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.558 -2.058 19452 9818 1 19 . 1 1 34 34 ILE H H 34 7.850 7.850 7.606 0.244 19452 9819 1 19 . 1 1 35 35 LEU N N 35 128.400 128.400 121.640 6.760 19452 9820 1 19 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.146 0.524 19452 9821 1 19 . 1 1 35 35 LEU C C 35 173.700 173.700 178.496 -4.796 19452 9822 1 19 . 1 1 35 35 LEU CA C 35 54.900 54.900 57.515 -2.615 19452 9823 1 19 . 1 1 35 35 LEU CB C 35 42.400 42.400 41.928 0.472 19452 9824 1 19 . 1 1 35 35 LEU H H 35 8.100 8.100 8.021 0.079 19452 9825 1 19 . 1 1 36 36 ILE N N 36 128.800 128.800 121.303 7.497 19452 9826 1 19 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.792 1.258 19452 9827 1 19 . 1 1 36 36 ILE C C 36 175.800 175.800 177.539 -1.739 19452 9828 1 19 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.507 -4.707 19452 9829 1 19 . 1 1 36 36 ILE CB C 36 39.900 39.900 36.930 2.970 19452 9830 1 19 . 1 1 36 36 ILE H H 36 9.320 9.320 7.593 1.727 19452 9831 1 19 . 1 1 37 37 LEU N N 37 129.600 129.600 120.511 9.089 19452 9832 1 19 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.217 1.053 19452 9833 1 19 . 1 1 37 37 LEU C C 37 175.500 175.500 177.104 -1.604 19452 9834 1 19 . 1 1 37 37 LEU CA C 37 54.000 54.000 56.134 -2.134 19452 9835 1 19 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.279 2.521 19452 9836 1 19 . 1 1 37 37 LEU H H 37 9.400 9.400 7.706 1.694 19452 9837 1 19 . 1 1 38 38 VAL N N 38 120.100 120.100 123.001 -2.901 19452 9838 1 19 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.966 0.624 19452 9839 1 19 . 1 1 38 38 VAL C C 38 174.000 174.000 175.189 -1.189 19452 9840 1 19 . 1 1 38 38 VAL CA C 38 61.100 61.100 62.847 -1.747 19452 9841 1 19 . 1 1 38 38 VAL CB C 38 33.500 33.500 30.195 3.305 19452 9842 1 19 . 1 1 38 38 VAL H H 38 9.440 9.440 7.653 1.787 19452 9843 1 19 . 1 1 39 39 ASP N N 39 125.600 125.600 125.411 0.189 19452 9844 1 19 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.644 0.526 19452 9845 1 19 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.367 -2.467 19452 9846 1 19 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.126 -2.326 19452 9847 1 19 . 1 1 39 39 ASP H H 39 9.240 9.240 8.247 0.993 19452 9848 1 19 . 1 1 40 40 PHE N N 40 119.600 119.600 120.021 -0.421 19452 9849 1 19 . 1 1 40 40 PHE H H 40 8.860 8.860 7.676 1.184 19452 9850 1 19 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.578 -0.168 19452 9851 1 19 . 1 1 53 53 PRO CA C 53 65.500 65.500 63.258 2.241 19452 9852 1 19 . 1 1 53 53 PRO CB C 53 30.800 30.800 32.602 -1.802 19452 9853 1 19 . 1 1 54 54 GLN N N 54 115.300 115.300 122.304 -7.004 19452 9854 1 19 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.589 -0.389 19452 9855 1 19 . 1 1 54 54 GLN C C 54 179.400 179.400 173.256 6.144 19452 9856 1 19 . 1 1 54 54 GLN CA C 54 58.000 58.000 55.701 2.299 19452 9857 1 19 . 1 1 54 54 GLN H H 54 7.080 7.080 8.264 -1.184 19452 9858 1 19 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.697 -0.707 19452 9859 1 19 . 1 1 55 55 LEU C C 55 178.700 178.700 175.556 3.144 19452 9860 1 19 . 1 1 55 55 LEU CA C 55 57.300 57.300 54.362 2.938 19452 9861 1 19 . 1 1 55 55 LEU CB C 55 41.300 41.300 43.177 -1.877 19452 9862 1 19 . 1 1 56 56 GLU N N 56 118.900 118.900 117.322 1.578 19452 9863 1 19 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.622 -0.782 19452 9864 1 19 . 1 1 56 56 GLU C C 56 179.100 179.100 177.072 2.028 19452 9865 1 19 . 1 1 56 56 GLU CA C 56 59.500 59.500 55.773 3.727 19452 9866 1 19 . 1 1 56 56 GLU CB C 56 29.000 29.000 30.319 -1.319 19452 9867 1 19 . 1 1 56 56 GLU H H 56 8.150 8.150 8.230 -0.080 19452 9868 1 19 . 1 1 57 57 LYS N N 57 117.000 117.000 121.436 -4.436 19452 9869 1 19 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.207 -0.137 19452 9870 1 19 . 1 1 57 57 LYS C C 57 179.800 179.800 176.464 3.336 19452 9871 1 19 . 1 1 57 57 LYS CA C 57 59.000 59.000 58.114 0.886 19452 9872 1 19 . 1 1 57 57 LYS CB C 57 31.900 31.900 32.638 -0.738 19452 9873 1 19 . 1 1 57 57 LYS H H 57 7.160 7.160 8.145 -0.985 19452 9874 1 19 . 1 1 58 58 LEU N N 58 119.900 119.900 120.450 -0.550 19452 9875 1 19 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.464 -0.264 19452 9876 1 19 . 1 1 58 58 LEU C C 58 178.700 178.700 175.431 3.269 19452 9877 1 19 . 1 1 58 58 LEU CA C 58 57.700 57.700 54.604 3.096 19452 9878 1 19 . 1 1 58 58 LEU CB C 58 41.700 41.700 42.788 -1.088 19452 9879 1 19 . 1 1 58 58 LEU H H 58 7.650 7.650 8.209 -0.559 19452 9880 1 19 . 1 1 59 59 ALA N N 59 120.700 120.700 125.020 -4.320 19452 9881 1 19 . 1 1 59 59 ALA HA H 59 3.860 3.860 3.723 0.137 19452 9882 1 19 . 1 1 59 59 ALA C C 59 180.000 180.000 176.048 3.952 19452 9883 1 19 . 1 1 59 59 ALA CA C 59 54.600 54.600 51.492 3.108 19452 9884 1 19 . 1 1 59 59 ALA CB C 59 18.000 18.000 19.334 -1.333 19452 9885 1 19 . 1 1 59 59 ALA H H 59 8.440 8.440 8.172 0.268 19452 9886 1 19 . 1 1 60 60 GLN N N 60 113.100 113.100 116.018 -2.918 19452 9887 1 19 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.120 -0.060 19452 9888 1 19 . 1 1 60 60 GLN C C 60 177.800 177.800 175.006 2.794 19452 9889 1 19 . 1 1 60 60 GLN CA C 60 57.500 57.500 55.548 1.952 19452 9890 1 19 . 1 1 60 60 GLN CB C 60 28.800 28.800 26.266 2.534 19452 9891 1 19 . 1 1 60 60 GLN H H 60 7.340 7.340 8.007 -0.667 19452 9892 1 19 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.208 -0.178 19452 9893 1 19 . 1 1 61 61 GLN C C 61 177.300 177.300 176.929 0.371 19452 9894 1 19 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.275 0.525 19452 9895 1 19 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.155 -0.155 19452 9896 1 19 . 1 1 62 62 TYR N N 62 117.300 117.300 119.030 -1.730 19452 9897 1 19 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.219 0.761 19452 9898 1 19 . 1 1 62 62 TYR C C 62 175.800 175.800 178.247 -2.447 19452 9899 1 19 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.703 -4.604 19452 9900 1 19 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.308 0.592 19452 9901 1 19 . 1 1 62 62 TYR H H 62 7.950 7.950 8.555 -0.605 19452 9902 1 19 . 1 1 63 63 THR N N 63 111.900 111.900 112.427 -0.527 19452 9903 1 19 . 1 1 63 63 THR HA H 63 4.190 4.190 4.042 0.148 19452 9904 1 19 . 1 1 63 63 THR C C 63 175.700 175.700 176.900 -1.200 19452 9905 1 19 . 1 1 63 63 THR CA C 63 64.600 64.600 65.536 -0.936 19452 9906 1 19 . 1 1 63 63 THR CB C 63 69.200 69.200 67.754 1.446 19452 9907 1 19 . 1 1 63 63 THR H H 63 7.110 7.110 7.567 -0.457 19452 9908 1 19 . 1 1 64 64 GLU N N 64 117.500 117.500 118.325 -0.825 19452 9909 1 19 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.975 0.325 19452 9910 1 19 . 1 1 64 64 GLU C C 64 177.400 177.400 178.934 -1.534 19452 9911 1 19 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.348 -1.348 19452 9912 1 19 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.139 0.961 19452 9913 1 19 . 1 1 64 64 GLU H H 64 8.610 8.610 7.860 0.750 19452 9914 1 19 . 1 1 65 65 ASN N N 65 113.300 113.300 118.967 -5.667 19452 9915 1 19 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.421 0.569 19452 9916 1 19 . 1 1 65 65 ASN C C 65 173.600 173.600 178.246 -4.646 19452 9917 1 19 . 1 1 65 65 ASN CA C 65 54.000 54.000 56.240 -2.240 19452 9918 1 19 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.497 2.603 19452 9919 1 19 . 1 1 65 65 ASN H H 65 8.050 8.050 8.264 -0.214 19452 9920 1 19 . 1 1 66 66 VAL N N 66 119.200 119.200 117.432 1.768 19452 9921 1 19 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.888 1.652 19452 9922 1 19 . 1 1 66 66 VAL C C 66 174.900 174.900 178.063 -3.163 19452 9923 1 19 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.319 -4.419 19452 9924 1 19 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.865 4.835 19452 9925 1 19 . 1 1 66 66 VAL H H 66 7.890 7.890 8.016 -0.126 19452 9926 1 19 . 1 1 67 67 LYS N N 67 127.600 127.600 119.579 8.021 19452 9927 1 19 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.874 0.686 19452 9928 1 19 . 1 1 67 67 LYS C C 67 173.600 173.600 178.525 -4.925 19452 9929 1 19 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.453 -5.353 19452 9930 1 19 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.690 4.510 19452 9931 1 19 . 1 1 67 67 LYS H H 67 8.700 8.700 8.193 0.507 19452 9932 1 19 . 1 1 68 68 ILE N N 68 123.200 123.200 116.071 7.129 19452 9933 1 19 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.857 0.723 19452 9934 1 19 . 1 1 68 68 ILE C C 68 173.900 173.900 179.118 -5.218 19452 9935 1 19 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.524 -3.024 19452 9936 1 19 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.958 0.542 19452 9937 1 19 . 1 1 68 68 ILE H H 68 8.770 8.770 7.623 1.147 19452 9938 1 19 . 1 1 69 69 TYR N N 69 124.400 124.400 118.388 6.012 19452 9939 1 19 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.233 1.427 19452 9940 1 19 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.059 -4.459 19452 9941 1 19 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.687 4.713 19452 9942 1 19 . 1 1 69 69 TYR H H 69 9.060 9.060 7.447 1.613 19452 9943 1 19 . 1 1 73 73 ILE C C 73 177.400 177.400 173.963 3.437 19452 9944 1 19 . 1 1 73 73 ILE CA C 73 62.600 62.600 60.959 1.641 19452 9945 1 19 . 1 1 74 74 GLU N N 74 121.800 121.800 119.753 2.047 19452 9946 1 19 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.725 -0.445 19452 9947 1 19 . 1 1 74 74 GLU C C 74 177.800 177.800 174.560 3.240 19452 9948 1 19 . 1 1 74 74 GLU CA C 74 58.900 58.900 55.204 3.696 19452 9949 1 19 . 1 1 74 74 GLU CB C 74 29.700 29.700 33.110 -3.410 19452 9950 1 19 . 1 1 74 74 GLU H H 74 8.560 8.560 7.768 0.792 19452 9951 1 19 . 1 1 75 75 ASP N N 75 114.200 114.200 125.146 -10.946 19452 9952 1 19 . 1 1 75 75 ASP C C 75 175.800 175.800 174.110 1.690 19452 9953 1 19 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.612 2.388 19452 9954 1 19 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.005 -2.205 19452 9955 1 19 . 1 1 75 75 ASP H H 75 6.840 6.840 8.912 -2.072 19452 9956 1 19 . 1 1 76 76 ASN N N 76 118.400 118.400 118.934 -0.534 19452 9957 1 19 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.504 -0.484 19452 9958 1 19 . 1 1 76 76 ASN C C 76 174.000 174.000 173.594 0.406 19452 9959 1 19 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.272 1.428 19452 9960 1 19 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.558 -0.958 19452 9961 1 19 . 1 1 76 76 ASN H H 76 7.600 7.600 8.218 -0.618 19452 9962 1 19 . 1 1 77 77 GLN N N 77 122.000 122.000 123.620 -1.620 19452 9963 1 19 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.696 0.044 19452 9964 1 19 . 1 1 77 77 GLN C C 77 177.800 177.800 173.754 4.046 19452 9965 1 19 . 1 1 77 77 GLN CA C 77 56.400 56.400 54.702 1.698 19452 9966 1 19 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.804 -3.204 19452 9967 1 19 . 1 1 77 77 GLN H H 77 9.040 9.040 9.171 -0.131 19452 9968 1 19 . 1 1 78 78 ASP N N 78 125.900 125.900 117.252 8.648 19452 9969 1 19 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.912 -1.502 19452 9970 1 19 . 1 1 78 78 ASP C C 78 178.900 178.900 174.453 4.447 19452 9971 1 19 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.660 7.040 19452 9972 1 19 . 1 1 78 78 ASP CB C 78 40.000 40.000 45.231 -5.231 19452 9973 1 19 . 1 1 78 78 ASP H H 78 10.210 10.210 9.118 1.092 19452 9974 1 19 . 1 1 79 79 VAL N N 79 123.800 123.800 117.105 6.695 19452 9975 1 19 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.472 -0.982 19452 9976 1 19 . 1 1 79 79 VAL C C 79 178.400 178.400 175.278 3.122 19452 9977 1 19 . 1 1 79 79 VAL CA C 79 66.500 66.500 59.477 7.023 19452 9978 1 19 . 1 1 79 79 VAL CB C 79 30.500 30.500 34.826 -4.326 19452 9979 1 19 . 1 1 79 79 VAL H H 79 8.130 8.130 8.378 -0.248 19452 9980 1 19 . 1 1 80 80 ALA N N 80 121.800 121.800 127.516 -5.716 19452 9981 1 19 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.549 -1.039 19452 9982 1 19 . 1 1 80 80 ALA C C 80 179.600 179.600 176.781 2.819 19452 9983 1 19 . 1 1 80 80 ALA CA C 80 54.900 54.900 51.011 3.889 19452 9984 1 19 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.576 -2.276 19452 9985 1 19 . 1 1 80 80 ALA H H 80 9.250 9.250 8.616 0.634 19452 9986 1 19 . 1 1 81 81 THR N N 81 113.200 113.200 113.043 0.157 19452 9987 1 19 . 1 1 81 81 THR HA H 81 3.960 3.960 4.417 -0.457 19452 9988 1 19 . 1 1 81 81 THR C C 81 177.700 177.700 173.888 3.812 19452 9989 1 19 . 1 1 81 81 THR CA C 81 66.400 66.400 61.343 5.057 19452 9990 1 19 . 1 1 81 81 THR CB C 81 68.500 68.500 69.216 -0.716 19452 9991 1 19 . 1 1 81 81 THR H H 81 7.990 7.990 8.023 -0.033 19452 9992 1 19 . 1 1 82 82 GLN N N 82 123.800 123.800 125.426 -1.626 19452 9993 1 19 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.118 -0.268 19452 9994 1 19 . 1 1 82 82 GLN C C 82 177.900 177.900 176.859 1.041 19452 9995 1 19 . 1 1 82 82 GLN CA C 82 58.900 58.900 58.163 0.737 19452 9996 1 19 . 1 1 82 82 GLN CB C 82 28.000 28.000 29.088 -1.088 19452 9997 1 19 . 1 1 82 82 GLN H H 82 8.170 8.170 8.833 -0.663 19452 9998 1 19 . 1 1 83 83 TYR N N 83 112.900 112.900 115.860 -2.960 19452 9999 1 19 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.499 -0.069 19452 10000 1 19 . 1 1 83 83 TYR C C 83 175.300 175.300 175.354 -0.054 19452 10001 1 19 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.316 0.684 19452 10002 1 19 . 1 1 83 83 TYR CB C 83 38.500 38.500 39.309 -0.809 19452 10003 1 19 . 1 1 83 83 TYR H H 83 7.780 7.780 8.164 -0.384 19452 10004 1 19 . 1 1 84 84 GLY N N 84 110.200 110.200 108.596 1.604 19452 10005 1 19 . 1 1 84 84 GLY C C 84 175.300 175.300 172.669 2.631 19452 10006 1 19 . 1 1 84 84 GLY CA C 84 47.100 47.100 44.364 2.736 19452 10007 1 19 . 1 1 84 84 GLY H H 84 7.670 7.670 7.770 -0.100 19452 10008 1 19 . 1 1 85 85 VAL N N 85 121.300 121.300 122.443 -1.143 19452 10009 1 19 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.273 -0.403 19452 10010 1 19 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.834 1.167 19452 10011 1 19 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.876 -3.376 19452 10012 1 19 . 1 1 85 85 VAL H H 85 8.500 8.500 8.272 0.228 19452 10013 1 19 . 1 1 90 90 THR HA H 90 5.170 5.170 3.959 1.211 19452 10014 1 19 . 1 1 90 90 THR C C 90 172.300 172.300 176.425 -4.125 19452 10015 1 19 . 1 1 90 90 THR CA C 90 63.500 63.500 64.448 -0.948 19452 10016 1 19 . 1 1 90 90 THR CB C 90 73.300 73.300 68.337 4.963 19452 10017 1 19 . 1 1 91 91 ILE N N 91 126.600 126.600 116.576 10.024 19452 10018 1 19 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.124 1.466 19452 10019 1 19 . 1 1 91 91 ILE C C 91 175.900 175.900 176.744 -0.844 19452 10020 1 19 . 1 1 91 91 ILE CA C 91 58.400 58.400 60.931 -2.530 19452 10021 1 19 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.072 1.928 19452 10022 1 19 . 1 1 91 91 ILE H H 91 9.340 9.340 7.385 1.955 19452 10023 1 19 . 1 1 92 92 LEU N N 92 125.700 125.700 119.919 5.781 19452 10024 1 19 . 1 1 92 92 LEU HA H 92 5.120 5.120 3.887 1.233 19452 10025 1 19 . 1 1 92 92 LEU C C 92 176.100 176.100 176.055 0.045 19452 10026 1 19 . 1 1 92 92 LEU CA C 92 53.100 53.100 55.102 -2.002 19452 10027 1 19 . 1 1 92 92 LEU H H 92 9.120 9.120 7.617 1.503 19452 10028 1 19 . 1 1 93 93 MET N N 93 117.700 117.700 119.122 -1.422 19452 10029 1 19 . 1 1 93 93 MET HA H 93 5.860 5.860 4.664 1.196 19452 10030 1 19 . 1 1 93 93 MET C C 93 174.400 174.400 176.308 -1.908 19452 10031 1 19 . 1 1 93 93 MET CA C 93 54.400 54.400 54.467 -0.067 19452 10032 1 19 . 1 1 93 93 MET CB C 93 34.100 34.100 33.939 0.161 19452 10033 1 19 . 1 1 93 93 MET H H 93 8.080 8.080 7.975 0.105 19452 10034 1 19 . 1 1 94 94 PHE N N 94 123.300 123.300 126.402 -3.102 19452 10035 1 19 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.601 0.969 19452 10036 1 19 . 1 1 94 94 PHE C C 94 174.800 174.800 175.320 -0.520 19452 10037 1 19 . 1 1 94 94 PHE CA C 94 55.900 55.900 57.857 -1.957 19452 10038 1 19 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.676 5.124 19452 10039 1 19 . 1 1 94 94 PHE H H 94 9.990 9.990 8.339 1.651 19452 10040 1 19 . 1 1 95 95 LYS N N 95 117.100 117.100 120.811 -3.711 19452 10041 1 19 . 1 1 95 95 LYS C C 95 176.500 176.500 175.749 0.751 19452 10042 1 19 . 1 1 95 95 LYS CA C 95 57.500 57.500 56.615 0.885 19452 10043 1 19 . 1 1 95 95 LYS CB C 95 37.200 37.200 32.673 4.527 19452 10044 1 19 . 1 1 95 95 LYS H H 95 8.630 8.630 8.376 0.254 19452 10045 1 19 . 1 1 96 96 ASN N N 96 130.400 130.400 113.462 16.938 19452 10046 1 19 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.539 0.281 19452 10047 1 19 . 1 1 96 96 ASN C C 96 175.900 175.900 172.806 3.094 19452 10048 1 19 . 1 1 96 96 ASN CA C 96 54.500 54.500 52.667 1.833 19452 10049 1 19 . 1 1 96 96 ASN CB C 96 36.900 36.900 38.339 -1.438 19452 10050 1 19 . 1 1 96 96 ASN H H 96 10.190 10.190 8.173 2.017 19452 10051 1 19 . 1 1 97 97 GLY C C 97 173.700 173.700 173.590 0.110 19452 10052 1 19 . 1 1 97 97 GLY CA C 97 46.000 46.000 45.406 0.594 19452 10053 1 19 . 1 1 98 98 LYS N N 98 120.300 120.300 119.819 0.481 19452 10054 1 19 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.587 0.153 19452 10055 1 19 . 1 1 98 98 LYS C C 98 175.500 175.500 175.316 0.184 19452 10056 1 19 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.700 -1.000 19452 10057 1 19 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.507 -2.307 19452 10058 1 19 . 1 1 98 98 LYS H H 98 7.840 7.840 8.062 -0.222 19452 10059 1 19 . 1 1 99 99 LYS N N 99 124.900 124.900 124.337 0.563 19452 10060 1 19 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.110 -1.500 19452 10061 1 19 . 1 1 99 99 LYS C C 99 176.300 176.300 174.944 1.356 19452 10062 1 19 . 1 1 99 99 LYS CA C 99 56.600 56.600 55.045 1.555 19452 10063 1 19 . 1 1 99 99 LYS CB C 99 31.500 31.500 34.318 -2.818 19452 10064 1 19 . 1 1 99 99 LYS H H 99 8.880 8.880 8.846 0.034 19452 10065 1 19 . 1 1 100 100 LEU N N 100 128.800 128.800 126.551 2.249 19452 10066 1 19 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.641 -0.201 19452 10067 1 19 . 1 1 100 100 LEU C C 100 177.400 177.400 175.109 2.291 19452 10068 1 19 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.285 2.015 19452 10069 1 19 . 1 1 100 100 LEU CB C 100 44.100 44.100 46.012 -1.912 19452 10070 1 19 . 1 1 100 100 LEU H H 100 9.320 9.320 8.721 0.599 19452 10071 1 19 . 1 1 101 101 SER N N 101 109.000 109.000 115.824 -6.824 19452 10072 1 19 . 1 1 101 101 SER HA H 101 4.550 4.550 5.107 -0.557 19452 10073 1 19 . 1 1 101 101 SER C C 101 172.400 172.400 173.381 -0.981 19452 10074 1 19 . 1 1 101 101 SER CA C 101 57.200 57.200 57.342 -0.142 19452 10075 1 19 . 1 1 101 101 SER CB C 101 64.400 64.400 64.745 -0.345 19452 10076 1 19 . 1 1 101 101 SER H H 101 7.260 7.260 8.459 -1.199 19452 10077 1 19 . 1 1 102 102 GLN N N 102 119.900 119.900 123.218 -3.318 19452 10078 1 19 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.611 -0.391 19452 10079 1 19 . 1 1 102 102 GLN C C 102 173.800 173.800 174.916 -1.116 19452 10080 1 19 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.544 0.856 19452 10081 1 19 . 1 1 102 102 GLN CB C 102 31.800 31.800 33.086 -1.286 19452 10082 1 19 . 1 1 102 102 GLN H H 102 8.230 8.230 9.075 -0.845 19452 10083 1 19 . 1 1 103 103 VAL N N 103 123.800 123.800 119.981 3.819 19452 10084 1 19 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.426 -0.096 19452 10085 1 19 . 1 1 103 103 VAL C C 103 174.600 174.600 175.292 -0.692 19452 10086 1 19 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.595 -0.895 19452 10087 1 19 . 1 1 103 103 VAL CB C 103 34.600 34.600 34.713 -0.113 19452 10088 1 19 . 1 1 103 103 VAL H H 103 9.310 9.310 9.142 0.168 19452 10089 1 19 . 1 1 104 104 ILE N N 104 129.400 129.400 127.049 2.351 19452 10090 1 19 . 1 1 104 104 ILE C C 104 176.400 176.400 175.959 0.441 19452 10091 1 19 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.683 -1.183 19452 10092 1 19 . 1 1 104 104 ILE CB C 104 38.700 38.700 36.941 1.759 19452 10093 1 19 . 1 1 104 104 ILE H H 104 8.970 8.970 9.069 -0.099 19452 10094 1 19 . 1 1 105 105 GLY N N 105 115.400 115.400 101.173 14.227 19452 10095 1 19 . 1 1 105 105 GLY C C 105 172.700 172.700 173.849 -1.149 19452 10096 1 19 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.401 -1.701 19452 10097 1 19 . 1 1 105 105 GLY H H 105 8.500 8.500 8.665 -0.165 19452 10098 1 19 . 1 1 106 106 ALA N N 106 120.200 120.200 120.893 -0.693 19452 10099 1 19 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.654 -0.274 19452 10100 1 19 . 1 1 106 106 ALA C C 106 176.300 176.300 175.844 0.456 19452 10101 1 19 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.337 0.163 19452 10102 1 19 . 1 1 106 106 ALA CB C 106 18.400 18.400 23.016 -4.616 19452 10103 1 19 . 1 1 106 106 ALA H H 106 8.360 8.360 7.764 0.596 19452 10104 1 19 . 1 1 107 107 ASP N N 107 121.100 121.100 121.810 -0.710 19452 10105 1 19 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.445 -0.675 19452 10106 1 19 . 1 1 107 107 ASP C C 107 176.600 176.600 175.467 1.133 19452 10107 1 19 . 1 1 107 107 ASP CA C 107 52.600 52.600 53.865 -1.265 19452 10108 1 19 . 1 1 107 107 ASP CB C 107 40.600 40.600 42.016 -1.416 19452 10109 1 19 . 1 1 107 107 ASP H H 107 7.610 7.610 8.621 -1.011 19452 10110 1 19 . 1 1 108 108 ILE N N 108 125.700 125.700 121.403 4.297 19452 10111 1 19 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.528 -0.518 19452 10112 1 19 . 1 1 108 108 ILE C C 108 176.400 176.400 175.852 0.548 19452 10113 1 19 . 1 1 108 108 ILE CA C 108 60.700 60.700 60.706 -0.006 19452 10114 1 19 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.151 0.149 19452 10115 1 19 . 1 1 108 108 ILE H H 108 8.550 8.550 8.415 0.135 19452 10116 1 19 . 1 1 109 109 SER N N 109 117.700 117.700 110.436 7.264 19452 10117 1 19 . 1 1 109 109 SER HA H 109 4.180 4.180 4.558 -0.378 19452 10118 1 19 . 1 1 109 109 SER C C 109 177.300 177.300 171.943 5.357 19452 10119 1 19 . 1 1 109 109 SER CA C 109 61.700 61.700 58.118 3.582 19452 10120 1 19 . 1 1 109 109 SER CB C 109 62.100 62.100 65.608 -3.508 19452 10121 1 19 . 1 1 109 109 SER H H 109 8.330 8.330 7.444 0.886 19452 10122 1 19 . 1 1 110 110 LYS N N 110 123.200 123.200 120.637 2.563 19452 10123 1 19 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.823 -0.603 19452 10124 1 19 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.356 2.744 19452 10125 1 19 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.207 -1.907 19452 10126 1 19 . 1 1 110 110 LYS H H 110 7.480 7.480 8.624 -1.144 19452 10127 1 19 . 1 1 111 111 ILE N N 111 119.300 119.300 125.033 -5.733 19452 10128 1 19 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.334 -0.304 19452 10129 1 19 . 1 1 111 111 ILE C C 111 177.200 177.200 174.842 2.358 19452 10130 1 19 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.658 0.442 19452 10131 1 19 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.993 -2.193 19452 10132 1 19 . 1 1 111 111 ILE H H 111 7.640 7.640 8.280 -0.640 19452 10133 1 19 . 1 1 112 112 ILE N N 112 118.700 118.700 125.797 -7.097 19452 10134 1 19 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.337 -0.907 19452 10135 1 19 . 1 1 112 112 ILE C C 112 177.700 177.700 175.955 1.745 19452 10136 1 19 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.898 5.202 19452 10137 1 19 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.508 -0.008 19452 10138 1 19 . 1 1 112 112 ILE H H 112 8.410 8.410 8.425 -0.015 19452 10139 1 19 . 1 1 113 113 SER N N 113 113.800 113.800 122.313 -8.513 19452 10140 1 19 . 1 1 113 113 SER HA H 113 4.200 4.200 4.372 -0.172 19452 10141 1 19 . 1 1 113 113 SER C C 113 177.200 177.200 172.790 4.410 19452 10142 1 19 . 1 1 113 113 SER CA C 113 62.000 62.000 57.556 4.444 19452 10143 1 19 . 1 1 113 113 SER H H 113 7.920 7.920 8.532 -0.612 19452 10144 1 19 . 1 1 114 114 GLU N N 114 119.400 119.400 121.971 -2.571 19452 10145 1 19 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.562 -0.412 19452 10146 1 19 . 1 1 114 114 GLU C C 114 179.900 179.900 174.970 4.930 19452 10147 1 19 . 1 1 114 114 GLU CA C 114 58.500 58.500 56.025 2.475 19452 10148 1 19 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.383 -3.083 19452 10149 1 19 . 1 1 114 114 GLU H H 114 8.010 8.010 8.537 -0.527 19452 10150 1 19 . 1 1 115 115 ILE N N 115 121.700 121.700 125.645 -3.945 19452 10151 1 19 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.366 -0.986 19452 10152 1 19 . 1 1 115 115 ILE C C 115 178.100 178.100 175.796 2.304 19452 10153 1 19 . 1 1 115 115 ILE CA C 115 66.000 66.000 61.531 4.469 19452 10154 1 19 . 1 1 115 115 ILE CB C 115 37.700 37.700 40.500 -2.800 19452 10155 1 19 . 1 1 115 115 ILE H H 115 8.370 8.370 8.303 0.068 19452 10156 1 19 . 1 1 116 116 ASN N N 116 116.100 116.100 123.527 -7.427 19452 10157 1 19 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.334 -0.004 19452 10158 1 19 . 1 1 116 116 ASN C C 116 177.900 177.900 176.001 1.899 19452 10159 1 19 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.273 0.627 19452 10160 1 19 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.915 -1.315 19452 10161 1 19 . 1 1 116 116 ASN H H 116 8.230 8.230 8.603 -0.373 19452 10162 1 19 . 1 1 117 117 ASN N N 117 115.400 115.400 115.594 -0.194 19452 10163 1 19 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.407 0.223 19452 10164 1 19 . 1 1 117 117 ASN C C 117 176.200 176.200 177.154 -0.954 19452 10165 1 19 . 1 1 117 117 ASN CA C 117 54.300 54.300 55.725 -1.425 19452 10166 1 19 . 1 1 117 117 ASN CB C 117 39.100 39.100 37.992 1.108 19452 10167 1 19 . 1 1 117 117 ASN H H 117 7.930 7.930 8.434 -0.504 19452 10168 1 19 . 1 1 118 118 ASN N N 118 115.400 115.400 121.216 -5.816 19452 10169 1 19 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.610 0.400 19452 10170 1 19 . 1 1 118 118 ASN C C 118 174.400 174.400 177.264 -2.864 19452 10171 1 19 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.230 -1.030 19452 10172 1 19 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.183 4.017 19452 10173 1 19 . 1 1 118 118 ASN H H 118 7.710 7.710 7.598 0.112 19452 10174 1 19 . 1 1 119 119 ILE N N 119 117.300 117.300 117.914 -0.614 19452 10175 1 19 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.774 0.546 19452 10176 1 19 . 1 1 119 119 ILE C C 119 174.900 174.900 177.731 -2.831 19452 10177 1 19 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.968 -2.768 19452 10178 1 19 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.517 1.683 19452 10179 1 19 . 1 1 119 119 ILE H H 119 7.520 7.520 7.988 -0.468 19452 10180 1 19 . 1 1 120 120 ASN N N 120 124.900 124.900 114.275 10.625 19452 10181 1 19 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.538 -0.028 19452 10182 1 19 . 1 1 120 120 ASN CA C 120 55.000 55.000 56.087 -1.087 19452 10183 1 19 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.913 2.287 19452 10184 1 19 . 1 1 120 120 ASN H H 120 7.960 7.960 8.052 -0.092 19452 10185 1 20 . 1 1 2 2 GLY N N 2 109.900 109.900 111.233 -1.333 19452 10186 1 20 . 1 1 2 2 GLY C C 2 174.400 174.400 172.732 1.668 19452 10187 1 20 . 1 1 2 2 GLY CA C 2 45.600 45.600 44.841 0.759 19452 10188 1 20 . 1 1 2 2 GLY H H 2 8.480 8.480 8.296 0.184 19452 10189 1 20 . 1 1 3 3 THR N N 3 113.700 113.700 112.387 1.313 19452 10190 1 20 . 1 1 3 3 THR C C 3 174.900 174.900 172.361 2.539 19452 10191 1 20 . 1 1 3 3 THR CA C 3 62.400 62.400 61.731 0.669 19452 10192 1 20 . 1 1 3 3 THR CB C 3 70.000 70.000 69.970 0.030 19452 10193 1 20 . 1 1 3 3 THR H H 3 8.090 8.090 8.059 0.031 19452 10194 1 20 . 1 1 4 4 LEU N N 4 124.100 124.100 125.356 -1.256 19452 10195 1 20 . 1 1 4 4 LEU C C 4 177.600 177.600 174.110 3.490 19452 10196 1 20 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.574 1.126 19452 10197 1 20 . 1 1 4 4 LEU CB C 4 42.300 42.300 43.412 -1.112 19452 10198 1 20 . 1 1 4 4 LEU H H 4 8.400 8.400 8.353 0.047 19452 10199 1 20 . 1 1 5 5 GLU N N 5 121.600 121.600 122.855 -1.255 19452 10200 1 20 . 1 1 5 5 GLU C C 5 176.500 176.500 175.463 1.037 19452 10201 1 20 . 1 1 5 5 GLU CA C 5 57.000 57.000 56.171 0.829 19452 10202 1 20 . 1 1 5 5 GLU CB C 5 29.900 29.900 31.663 -1.763 19452 10203 1 20 . 1 1 5 5 GLU H H 5 8.430 8.430 8.072 0.358 19452 10204 1 20 . 1 1 6 6 ALA N N 6 124.500 124.500 125.764 -1.264 19452 10205 1 20 . 1 1 6 6 ALA C C 6 177.900 177.900 176.586 1.314 19452 10206 1 20 . 1 1 6 6 ALA CA C 6 52.900 52.900 52.114 0.786 19452 10207 1 20 . 1 1 6 6 ALA CB C 6 19.200 19.200 21.363 -2.163 19452 10208 1 20 . 1 1 6 6 ALA H H 6 8.330 8.330 8.612 -0.282 19452 10209 1 20 . 1 1 7 7 GLN N N 7 119.200 119.200 122.823 -3.623 19452 10210 1 20 . 1 1 7 7 GLN C C 7 176.400 176.400 174.623 1.777 19452 10211 1 20 . 1 1 7 7 GLN CA C 7 56.000 56.000 55.158 0.842 19452 10212 1 20 . 1 1 7 7 GLN CB C 7 29.200 29.200 30.087 -0.887 19452 10213 1 20 . 1 1 7 7 GLN H H 7 8.400 8.400 8.438 -0.038 19452 10214 1 20 . 1 1 8 8 THR N N 8 115.100 115.100 116.657 -1.557 19452 10215 1 20 . 1 1 8 8 THR C C 8 174.500 174.500 173.300 1.200 19452 10216 1 20 . 1 1 8 8 THR CA C 8 62.300 62.300 61.906 0.394 19452 10217 1 20 . 1 1 8 8 THR CB C 8 70.000 70.000 70.316 -0.316 19452 10218 1 20 . 1 1 8 8 THR H H 8 8.210 8.210 8.570 -0.360 19452 10219 1 20 . 1 1 9 9 GLN N N 9 122.300 122.300 120.568 1.732 19452 10220 1 20 . 1 1 9 9 GLN C C 9 176.100 176.100 174.500 1.600 19452 10221 1 20 . 1 1 9 9 GLN CA C 9 55.900 55.900 55.448 0.452 19452 10222 1 20 . 1 1 9 9 GLN CB C 9 29.500 29.500 33.208 -3.708 19452 10223 1 20 . 1 1 9 9 GLN H H 9 8.470 8.470 8.936 -0.466 19452 10224 1 20 . 1 1 10 10 GLY N N 10 110.300 110.300 109.706 0.594 19452 10225 1 20 . 1 1 10 10 GLY CA C 10 44.400 44.400 45.136 -0.736 19452 10226 1 20 . 1 1 10 10 GLY H H 10 8.360 8.360 8.951 -0.591 19452 10227 1 20 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.667 -0.227 19452 10228 1 20 . 1 1 11 11 PRO C C 11 177.800 177.800 175.681 2.119 19452 10229 1 20 . 1 1 11 11 PRO CA C 11 63.300 63.300 63.132 0.168 19452 10230 1 20 . 1 1 11 11 PRO CB C 11 32.000 32.000 32.761 -0.761 19452 10231 1 20 . 1 1 12 12 GLY N N 12 109.600 109.600 109.565 0.035 19452 10232 1 20 . 1 1 12 12 GLY CA C 12 44.900 44.900 44.969 -0.069 19452 10233 1 20 . 1 1 12 12 GLY H H 12 8.600 8.600 8.346 0.254 19452 10234 1 20 . 1 1 13 13 SER N N 13 114.700 114.700 114.139 0.561 19452 10235 1 20 . 1 1 13 13 SER HA H 13 4.510 4.510 4.096 0.414 19452 10236 1 20 . 1 1 13 13 SER C C 13 175.300 175.300 173.492 1.808 19452 10237 1 20 . 1 1 13 13 SER CA C 13 57.800 57.800 59.075 -1.275 19452 10238 1 20 . 1 1 13 13 SER CB C 13 62.300 62.300 62.661 -0.361 19452 10239 1 20 . 1 1 13 13 SER H H 13 8.130 8.130 8.903 -0.773 19452 10240 1 20 . 1 1 14 14 MET N N 14 124.300 124.300 118.592 5.708 19452 10241 1 20 . 1 1 14 14 MET HA H 14 4.470 4.470 4.615 -0.145 19452 10242 1 20 . 1 1 14 14 MET CA C 14 55.700 55.700 55.410 0.290 19452 10243 1 20 . 1 1 14 14 MET CB C 14 32.700 32.700 32.400 0.300 19452 10244 1 20 . 1 1 14 14 MET H H 14 9.430 9.430 8.308 1.122 19452 10245 1 20 . 1 1 15 15 ILE N N 15 122.600 122.600 118.846 3.754 19452 10246 1 20 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.420 -0.410 19452 10247 1 20 . 1 1 15 15 ILE C C 15 175.300 175.300 175.303 -0.003 19452 10248 1 20 . 1 1 15 15 ILE CA C 15 60.700 60.700 60.934 -0.234 19452 10249 1 20 . 1 1 15 15 ILE CB C 15 37.500 37.500 39.283 -1.783 19452 10250 1 20 . 1 1 15 15 ILE H H 15 8.520 8.520 7.827 0.693 19452 10251 1 20 . 1 1 16 16 GLU N N 16 129.300 129.300 118.888 10.412 19452 10252 1 20 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.252 0.118 19452 10253 1 20 . 1 1 16 16 GLU C C 16 175.500 175.500 176.286 -0.786 19452 10254 1 20 . 1 1 16 16 GLU CA C 16 56.100 56.100 56.656 -0.556 19452 10255 1 20 . 1 1 16 16 GLU CB C 16 31.400 31.400 30.162 1.238 19452 10256 1 20 . 1 1 16 16 GLU H H 16 8.220 8.220 8.653 -0.433 19452 10257 1 20 . 1 1 17 17 GLN N N 17 124.500 124.500 119.013 5.487 19452 10258 1 20 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.391 0.729 19452 10259 1 20 . 1 1 17 17 GLN C C 17 176.000 176.000 174.090 1.910 19452 10260 1 20 . 1 1 17 17 GLN CA C 17 55.200 55.200 55.978 -0.778 19452 10261 1 20 . 1 1 17 17 GLN CB C 17 30.400 30.400 30.384 0.016 19452 10262 1 20 . 1 1 17 17 GLN H H 17 8.810 8.810 7.961 0.849 19452 10263 1 20 . 1 1 18 18 ILE N N 18 118.700 118.700 121.013 -2.313 19452 10264 1 20 . 1 1 18 18 ILE C C 18 174.400 174.400 174.009 0.391 19452 10265 1 20 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.162 -1.562 19452 10266 1 20 . 1 1 18 18 ILE H H 18 8.840 8.840 8.315 0.525 19452 10267 1 20 . 1 1 19 19 GLY C C 19 174.800 174.800 174.101 0.699 19452 10268 1 20 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.184 -1.083 19452 10269 1 20 . 1 1 20 20 ASP N N 20 119.100 119.100 118.041 1.059 19452 10270 1 20 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.741 -0.151 19452 10271 1 20 . 1 1 20 20 ASP C C 20 179.900 179.900 175.598 4.302 19452 10272 1 20 . 1 1 20 20 ASP CA C 20 58.000 58.000 54.169 3.831 19452 10273 1 20 . 1 1 20 20 ASP H H 20 8.090 8.090 8.437 -0.347 19452 10274 1 20 . 1 1 21 21 SER N N 21 112.000 112.000 121.618 -9.618 19452 10275 1 20 . 1 1 21 21 SER HA H 21 4.320 4.320 4.531 -0.211 19452 10276 1 20 . 1 1 21 21 SER CA C 21 60.700 60.700 60.246 0.454 19452 10277 1 20 . 1 1 21 21 SER CB C 21 62.500 62.500 63.773 -1.273 19452 10278 1 20 . 1 1 21 21 SER H H 21 8.750 8.750 8.618 0.132 19452 10279 1 20 . 1 1 22 22 GLU N N 22 119.000 119.000 119.677 -0.677 19452 10280 1 20 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.346 0.234 19452 10281 1 20 . 1 1 22 22 GLU C C 22 176.000 176.000 176.718 -0.718 19452 10282 1 20 . 1 1 22 22 GLU CA C 22 56.200 56.200 56.746 -0.546 19452 10283 1 20 . 1 1 22 22 GLU CB C 22 31.600 31.600 30.562 1.038 19452 10284 1 20 . 1 1 22 22 GLU H H 22 7.660 7.660 8.315 -0.655 19452 10285 1 20 . 1 1 23 23 PHE N N 23 120.900 120.900 120.935 -0.035 19452 10286 1 20 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.406 -0.836 19452 10287 1 20 . 1 1 23 23 PHE C C 23 176.500 176.500 174.603 1.897 19452 10288 1 20 . 1 1 23 23 PHE CA C 23 63.100 63.100 58.079 5.021 19452 10289 1 20 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.638 1.062 19452 10290 1 20 . 1 1 23 23 PHE H H 23 7.490 7.490 7.927 -0.437 19452 10291 1 20 . 1 1 24 24 ASP N N 24 118.500 118.500 125.557 -7.057 19452 10292 1 20 . 1 1 24 24 ASP HA H 24 4.630 4.630 4.980 -0.350 19452 10293 1 20 . 1 1 24 24 ASP C C 24 178.400 178.400 175.099 3.301 19452 10294 1 20 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.440 4.260 19452 10295 1 20 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.655 -3.455 19452 10296 1 20 . 1 1 24 24 ASP H H 24 8.900 8.900 8.871 0.029 19452 10297 1 20 . 1 1 25 25 ASN N N 25 117.200 117.200 120.537 -3.337 19452 10298 1 20 . 1 1 25 25 ASN HA H 25 4.200 4.200 4.925 -0.725 19452 10299 1 20 . 1 1 25 25 ASN C C 25 176.400 176.400 174.686 1.714 19452 10300 1 20 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.057 3.943 19452 10301 1 20 . 1 1 25 25 ASN CB C 25 39.000 39.000 38.639 0.361 19452 10302 1 20 . 1 1 26 26 LYS N N 26 112.800 112.800 119.573 -6.773 19452 10303 1 20 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.756 -0.756 19452 10304 1 20 . 1 1 26 26 LYS C C 26 175.500 175.500 175.264 0.236 19452 10305 1 20 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.117 2.183 19452 10306 1 20 . 1 1 26 26 LYS CB C 26 33.000 33.000 34.999 -1.999 19452 10307 1 20 . 1 1 26 26 LYS H H 26 7.730 7.730 8.851 -1.121 19452 10308 1 20 . 1 1 27 27 VAL N N 27 114.500 114.500 116.558 -2.058 19452 10309 1 20 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.343 -0.303 19452 10310 1 20 . 1 1 27 27 VAL C C 27 177.900 177.900 175.881 2.019 19452 10311 1 20 . 1 1 27 27 VAL CA C 27 63.700 63.700 61.082 2.618 19452 10312 1 20 . 1 1 27 27 VAL H H 27 7.680 7.680 8.273 -0.593 19452 10313 1 20 . 1 1 28 28 THR N N 28 110.000 110.000 115.164 -5.164 19452 10314 1 20 . 1 1 28 28 THR HA H 28 3.710 3.710 3.962 -0.252 19452 10315 1 20 . 1 1 28 28 THR C C 28 175.800 175.800 175.292 0.508 19452 10316 1 20 . 1 1 28 28 THR CA C 28 65.200 65.200 64.966 0.234 19452 10317 1 20 . 1 1 28 28 THR CB C 28 68.100 68.100 68.143 -0.043 19452 10318 1 20 . 1 1 28 28 THR H H 28 7.010 7.010 8.594 -1.584 19452 10319 1 20 . 1 1 29 29 SER N N 29 113.600 113.600 112.986 0.614 19452 10320 1 20 . 1 1 29 29 SER HA H 29 4.480 4.480 4.387 0.093 19452 10321 1 20 . 1 1 29 29 SER C C 29 174.200 174.200 175.261 -1.061 19452 10322 1 20 . 1 1 29 29 SER CA C 29 58.500 58.500 60.259 -1.759 19452 10323 1 20 . 1 1 29 29 SER CB C 29 63.300 63.300 63.312 -0.012 19452 10324 1 20 . 1 1 29 29 SER H H 29 8.350 8.350 8.180 0.170 19452 10325 1 20 . 1 1 30 30 CYS N N 30 120.000 120.000 118.764 1.236 19452 10326 1 20 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.599 -0.479 19452 10327 1 20 . 1 1 30 30 CYS C C 30 174.200 174.200 175.464 -1.264 19452 10328 1 20 . 1 1 30 30 CYS CA C 30 69.700 69.700 57.822 11.878 19452 10329 1 20 . 1 1 30 30 CYS CB C 30 27.800 27.800 27.238 0.561 19452 10330 1 20 . 1 1 30 30 CYS H H 30 6.810 6.810 7.774 -0.964 19452 10331 1 20 . 1 1 31 31 ASN N N 31 124.300 124.300 121.431 2.869 19452 10332 1 20 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.301 0.809 19452 10333 1 20 . 1 1 31 31 ASN C C 31 174.900 174.900 175.951 -1.051 19452 10334 1 20 . 1 1 31 31 ASN CA C 31 52.400 52.400 57.113 -4.713 19452 10335 1 20 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.274 0.226 19452 10336 1 20 . 1 1 31 31 ASN H H 31 8.760 8.760 7.895 0.865 19452 10337 1 20 . 1 1 32 32 ASP N N 32 119.000 119.000 116.949 2.051 19452 10338 1 20 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.796 0.764 19452 10339 1 20 . 1 1 32 32 ASP C C 32 176.600 176.600 178.710 -2.110 19452 10340 1 20 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.746 -3.247 19452 10341 1 20 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.557 2.443 19452 10342 1 20 . 1 1 32 32 ASP H H 32 7.720 7.720 8.739 -1.019 19452 10343 1 20 . 1 1 33 33 ASN N N 33 115.400 115.400 117.310 -1.910 19452 10344 1 20 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.333 -0.163 19452 10345 1 20 . 1 1 33 33 ASN C C 33 173.700 173.700 176.182 -2.482 19452 10346 1 20 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.883 -1.583 19452 10347 1 20 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.611 -0.812 19452 10348 1 20 . 1 1 33 33 ASN H H 33 9.750 9.750 8.344 1.406 19452 10349 1 20 . 1 1 34 34 ILE N N 34 120.700 120.700 114.644 6.056 19452 10350 1 20 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.236 -0.216 19452 10351 1 20 . 1 1 34 34 ILE C C 34 175.500 175.500 177.769 -2.269 19452 10352 1 20 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.346 -2.946 19452 10353 1 20 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.208 -1.708 19452 10354 1 20 . 1 1 34 34 ILE H H 34 7.850 7.850 7.494 0.356 19452 10355 1 20 . 1 1 35 35 LEU N N 35 128.400 128.400 122.443 5.957 19452 10356 1 20 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.103 0.567 19452 10357 1 20 . 1 1 35 35 LEU C C 35 173.700 173.700 178.029 -4.329 19452 10358 1 20 . 1 1 35 35 LEU CA C 35 54.900 54.900 58.780 -3.880 19452 10359 1 20 . 1 1 35 35 LEU CB C 35 42.400 42.400 41.462 0.938 19452 10360 1 20 . 1 1 35 35 LEU H H 35 8.100 8.100 8.220 -0.120 19452 10361 1 20 . 1 1 36 36 ILE N N 36 128.800 128.800 119.946 8.854 19452 10362 1 20 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.795 1.255 19452 10363 1 20 . 1 1 36 36 ILE C C 36 175.800 175.800 177.644 -1.844 19452 10364 1 20 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.584 -4.784 19452 10365 1 20 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.270 2.630 19452 10366 1 20 . 1 1 36 36 ILE H H 36 9.320 9.320 7.539 1.781 19452 10367 1 20 . 1 1 37 37 LEU N N 37 129.600 129.600 119.982 9.618 19452 10368 1 20 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.268 1.002 19452 10369 1 20 . 1 1 37 37 LEU C C 37 175.500 175.500 176.527 -1.027 19452 10370 1 20 . 1 1 37 37 LEU CA C 37 54.000 54.000 54.909 -0.909 19452 10371 1 20 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.340 2.460 19452 10372 1 20 . 1 1 37 37 LEU H H 37 9.400 9.400 7.793 1.607 19452 10373 1 20 . 1 1 38 38 VAL N N 38 120.100 120.100 123.023 -2.923 19452 10374 1 20 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.883 0.707 19452 10375 1 20 . 1 1 38 38 VAL C C 38 174.000 174.000 175.254 -1.254 19452 10376 1 20 . 1 1 38 38 VAL CA C 38 61.100 61.100 64.098 -2.998 19452 10377 1 20 . 1 1 38 38 VAL CB C 38 33.500 33.500 31.750 1.750 19452 10378 1 20 . 1 1 38 38 VAL H H 38 9.440 9.440 7.535 1.905 19452 10379 1 20 . 1 1 39 39 ASP N N 39 125.600 125.600 127.014 -1.414 19452 10380 1 20 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.801 0.369 19452 10381 1 20 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.000 -2.100 19452 10382 1 20 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.036 -2.236 19452 10383 1 20 . 1 1 39 39 ASP H H 39 9.240 9.240 8.588 0.652 19452 10384 1 20 . 1 1 40 40 PHE N N 40 119.600 119.600 119.007 0.593 19452 10385 1 20 . 1 1 40 40 PHE H H 40 8.860 8.860 8.019 0.841 19452 10386 1 20 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.466 -0.056 19452 10387 1 20 . 1 1 53 53 PRO CA C 53 65.500 65.500 62.085 3.415 19452 10388 1 20 . 1 1 53 53 PRO CB C 53 30.800 30.800 35.109 -4.309 19452 10389 1 20 . 1 1 54 54 GLN N N 54 115.300 115.300 122.754 -7.454 19452 10390 1 20 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.218 -0.018 19452 10391 1 20 . 1 1 54 54 GLN C C 54 179.400 179.400 174.789 4.611 19452 10392 1 20 . 1 1 54 54 GLN CA C 54 58.000 58.000 56.952 1.048 19452 10393 1 20 . 1 1 54 54 GLN H H 54 7.080 7.080 8.603 -1.523 19452 10394 1 20 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.437 -0.447 19452 10395 1 20 . 1 1 55 55 LEU C C 55 178.700 178.700 175.189 3.511 19452 10396 1 20 . 1 1 55 55 LEU CA C 55 57.300 57.300 54.658 2.642 19452 10397 1 20 . 1 1 55 55 LEU CB C 55 41.300 41.300 40.537 0.763 19452 10398 1 20 . 1 1 56 56 GLU N N 56 118.900 118.900 123.110 -4.210 19452 10399 1 20 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.519 -0.679 19452 10400 1 20 . 1 1 56 56 GLU C C 56 179.100 179.100 175.455 3.645 19452 10401 1 20 . 1 1 56 56 GLU CA C 56 59.500 59.500 55.789 3.711 19452 10402 1 20 . 1 1 56 56 GLU CB C 56 29.000 29.000 33.385 -4.385 19452 10403 1 20 . 1 1 56 56 GLU H H 56 8.150 8.150 8.257 -0.107 19452 10404 1 20 . 1 1 57 57 LYS N N 57 117.000 117.000 123.795 -6.795 19452 10405 1 20 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.494 -0.424 19452 10406 1 20 . 1 1 57 57 LYS C C 57 179.800 179.800 175.274 4.526 19452 10407 1 20 . 1 1 57 57 LYS CA C 57 59.000 59.000 55.080 3.920 19452 10408 1 20 . 1 1 57 57 LYS CB C 57 31.900 31.900 32.131 -0.231 19452 10409 1 20 . 1 1 57 57 LYS H H 57 7.160 7.160 8.421 -1.261 19452 10410 1 20 . 1 1 58 58 LEU N N 58 119.900 119.900 123.741 -3.841 19452 10411 1 20 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.215 -0.015 19452 10412 1 20 . 1 1 58 58 LEU C C 58 178.700 178.700 176.350 2.350 19452 10413 1 20 . 1 1 58 58 LEU CA C 58 57.700 57.700 55.539 2.161 19452 10414 1 20 . 1 1 58 58 LEU CB C 58 41.700 41.700 42.137 -0.437 19452 10415 1 20 . 1 1 58 58 LEU H H 58 7.650 7.650 8.135 -0.485 19452 10416 1 20 . 1 1 59 59 ALA N N 59 120.700 120.700 128.782 -8.082 19452 10417 1 20 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.531 -0.671 19452 10418 1 20 . 1 1 59 59 ALA C C 59 180.000 180.000 176.566 3.434 19452 10419 1 20 . 1 1 59 59 ALA CA C 59 54.600 54.600 52.305 2.295 19452 10420 1 20 . 1 1 59 59 ALA CB C 59 18.000 18.000 20.377 -2.377 19452 10421 1 20 . 1 1 59 59 ALA H H 59 8.440 8.440 8.160 0.280 19452 10422 1 20 . 1 1 60 60 GLN N N 60 113.100 113.100 125.326 -12.226 19452 10423 1 20 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.789 -0.729 19452 10424 1 20 . 1 1 60 60 GLN C C 60 177.800 177.800 174.717 3.083 19452 10425 1 20 . 1 1 60 60 GLN CA C 60 57.500 57.500 52.189 5.311 19452 10426 1 20 . 1 1 60 60 GLN CB C 60 28.800 28.800 27.914 0.886 19452 10427 1 20 . 1 1 60 60 GLN H H 60 7.340 7.340 8.554 -1.214 19452 10428 1 20 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.339 -0.309 19452 10429 1 20 . 1 1 61 61 GLN C C 61 177.300 177.300 176.669 0.631 19452 10430 1 20 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.024 0.776 19452 10431 1 20 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.090 -0.090 19452 10432 1 20 . 1 1 62 62 TYR N N 62 117.300 117.300 118.893 -1.593 19452 10433 1 20 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.236 0.744 19452 10434 1 20 . 1 1 62 62 TYR C C 62 175.800 175.800 178.244 -2.444 19452 10435 1 20 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.342 -4.242 19452 10436 1 20 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.553 0.346 19452 10437 1 20 . 1 1 62 62 TYR H H 62 7.950 7.950 8.532 -0.582 19452 10438 1 20 . 1 1 63 63 THR N N 63 111.900 111.900 112.490 -0.590 19452 10439 1 20 . 1 1 63 63 THR HA H 63 4.190 4.190 4.075 0.115 19452 10440 1 20 . 1 1 63 63 THR C C 63 175.700 175.700 176.919 -1.219 19452 10441 1 20 . 1 1 63 63 THR CA C 63 64.600 64.600 65.111 -0.511 19452 10442 1 20 . 1 1 63 63 THR CB C 63 69.200 69.200 68.125 1.075 19452 10443 1 20 . 1 1 63 63 THR H H 63 7.110 7.110 7.611 -0.501 19452 10444 1 20 . 1 1 64 64 GLU N N 64 117.500 117.500 118.761 -1.261 19452 10445 1 20 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.992 0.308 19452 10446 1 20 . 1 1 64 64 GLU C C 64 177.400 177.400 179.054 -1.654 19452 10447 1 20 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.447 -1.447 19452 10448 1 20 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.239 0.861 19452 10449 1 20 . 1 1 64 64 GLU H H 64 8.610 8.610 8.132 0.478 19452 10450 1 20 . 1 1 65 65 ASN N N 65 113.300 113.300 118.682 -5.382 19452 10451 1 20 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.461 0.529 19452 10452 1 20 . 1 1 65 65 ASN C C 65 173.600 173.600 178.338 -4.738 19452 10453 1 20 . 1 1 65 65 ASN CA C 65 54.000 54.000 56.334 -2.334 19452 10454 1 20 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.431 2.669 19452 10455 1 20 . 1 1 65 65 ASN H H 65 8.050 8.050 8.392 -0.342 19452 10456 1 20 . 1 1 66 66 VAL N N 66 119.200 119.200 117.607 1.593 19452 10457 1 20 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.971 1.569 19452 10458 1 20 . 1 1 66 66 VAL C C 66 174.900 174.900 177.914 -3.014 19452 10459 1 20 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.116 -4.216 19452 10460 1 20 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.995 4.705 19452 10461 1 20 . 1 1 66 66 VAL H H 66 7.890 7.890 8.047 -0.157 19452 10462 1 20 . 1 1 67 67 LYS N N 67 127.600 127.600 119.814 7.786 19452 10463 1 20 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.908 0.652 19452 10464 1 20 . 1 1 67 67 LYS C C 67 173.600 173.600 178.485 -4.885 19452 10465 1 20 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.467 -5.367 19452 10466 1 20 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.724 4.476 19452 10467 1 20 . 1 1 67 67 LYS H H 67 8.700 8.700 8.180 0.520 19452 10468 1 20 . 1 1 68 68 ILE N N 68 123.200 123.200 116.602 6.598 19452 10469 1 20 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.851 0.729 19452 10470 1 20 . 1 1 68 68 ILE C C 68 173.900 173.900 179.058 -5.158 19452 10471 1 20 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.671 -3.171 19452 10472 1 20 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.962 0.538 19452 10473 1 20 . 1 1 68 68 ILE H H 68 8.770 8.770 7.620 1.150 19452 10474 1 20 . 1 1 69 69 TYR N N 69 124.400 124.400 118.664 5.736 19452 10475 1 20 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.253 1.407 19452 10476 1 20 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.288 -4.688 19452 10477 1 20 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.614 4.786 19452 10478 1 20 . 1 1 69 69 TYR H H 69 9.060 9.060 7.534 1.526 19452 10479 1 20 . 1 1 73 73 ILE C C 73 177.400 177.400 173.777 3.623 19452 10480 1 20 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.136 1.464 19452 10481 1 20 . 1 1 74 74 GLU N N 74 121.800 121.800 119.293 2.507 19452 10482 1 20 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.955 -0.675 19452 10483 1 20 . 1 1 74 74 GLU C C 74 177.800 177.800 174.845 2.955 19452 10484 1 20 . 1 1 74 74 GLU CA C 74 58.900 58.900 54.825 4.074 19452 10485 1 20 . 1 1 74 74 GLU CB C 74 29.700 29.700 32.901 -3.201 19452 10486 1 20 . 1 1 74 74 GLU H H 74 8.560 8.560 7.851 0.709 19452 10487 1 20 . 1 1 75 75 ASP N N 75 114.200 114.200 124.165 -9.965 19452 10488 1 20 . 1 1 75 75 ASP C C 75 175.800 175.800 174.132 1.668 19452 10489 1 20 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.349 2.651 19452 10490 1 20 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.379 -2.579 19452 10491 1 20 . 1 1 75 75 ASP H H 75 6.840 6.840 8.912 -2.072 19452 10492 1 20 . 1 1 76 76 ASN N N 76 118.400 118.400 117.734 0.666 19452 10493 1 20 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.368 -0.348 19452 10494 1 20 . 1 1 76 76 ASN C C 76 174.000 174.000 173.332 0.668 19452 10495 1 20 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.218 1.482 19452 10496 1 20 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.468 -0.868 19452 10497 1 20 . 1 1 76 76 ASN H H 76 7.600 7.600 8.234 -0.634 19452 10498 1 20 . 1 1 77 77 GLN N N 77 122.000 122.000 123.061 -1.061 19452 10499 1 20 . 1 1 77 77 GLN HA H 77 4.740 4.740 5.224 -0.484 19452 10500 1 20 . 1 1 77 77 GLN C C 77 177.800 177.800 174.552 3.248 19452 10501 1 20 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.604 2.796 19452 10502 1 20 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.398 -2.798 19452 10503 1 20 . 1 1 77 77 GLN H H 77 9.040 9.040 8.903 0.137 19452 10504 1 20 . 1 1 78 78 ASP N N 78 125.900 125.900 117.913 7.987 19452 10505 1 20 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.769 -1.359 19452 10506 1 20 . 1 1 78 78 ASP C C 78 178.900 178.900 174.943 3.957 19452 10507 1 20 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.571 7.129 19452 10508 1 20 . 1 1 78 78 ASP CB C 78 40.000 40.000 45.303 -5.303 19452 10509 1 20 . 1 1 78 78 ASP H H 78 10.210 10.210 8.691 1.519 19452 10510 1 20 . 1 1 79 79 VAL N N 79 123.800 123.800 118.623 5.177 19452 10511 1 20 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.798 -1.308 19452 10512 1 20 . 1 1 79 79 VAL C C 79 178.400 178.400 175.018 3.382 19452 10513 1 20 . 1 1 79 79 VAL CA C 79 66.500 66.500 61.221 5.279 19452 10514 1 20 . 1 1 79 79 VAL CB C 79 30.500 30.500 34.792 -4.292 19452 10515 1 20 . 1 1 79 79 VAL H H 79 8.130 8.130 8.574 -0.444 19452 10516 1 20 . 1 1 80 80 ALA N N 80 121.800 121.800 126.970 -5.170 19452 10517 1 20 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.297 -0.787 19452 10518 1 20 . 1 1 80 80 ALA C C 80 179.600 179.600 177.744 1.856 19452 10519 1 20 . 1 1 80 80 ALA CA C 80 54.900 54.900 53.509 1.391 19452 10520 1 20 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.374 -2.074 19452 10521 1 20 . 1 1 80 80 ALA H H 80 9.250 9.250 8.034 1.216 19452 10522 1 20 . 1 1 81 81 THR N N 81 113.200 113.200 115.373 -2.173 19452 10523 1 20 . 1 1 81 81 THR HA H 81 3.960 3.960 4.216 -0.256 19452 10524 1 20 . 1 1 81 81 THR C C 81 177.700 177.700 174.435 3.265 19452 10525 1 20 . 1 1 81 81 THR CA C 81 66.400 66.400 61.432 4.968 19452 10526 1 20 . 1 1 81 81 THR CB C 81 68.500 68.500 66.594 1.907 19452 10527 1 20 . 1 1 81 81 THR H H 81 7.990 7.990 8.122 -0.132 19452 10528 1 20 . 1 1 82 82 GLN N N 82 123.800 123.800 125.961 -2.161 19452 10529 1 20 . 1 1 82 82 GLN HA H 82 3.850 3.850 3.612 0.238 19452 10530 1 20 . 1 1 82 82 GLN C C 82 177.900 177.900 175.200 2.700 19452 10531 1 20 . 1 1 82 82 GLN CA C 82 58.900 58.900 56.962 1.938 19452 10532 1 20 . 1 1 82 82 GLN CB C 82 28.000 28.000 28.801 -0.801 19452 10533 1 20 . 1 1 82 82 GLN H H 82 8.170 8.170 8.505 -0.335 19452 10534 1 20 . 1 1 83 83 TYR N N 83 112.900 112.900 119.004 -6.104 19452 10535 1 20 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.363 0.067 19452 10536 1 20 . 1 1 83 83 TYR C C 83 175.300 175.300 174.855 0.445 19452 10537 1 20 . 1 1 83 83 TYR CA C 83 59.000 59.000 59.065 -0.065 19452 10538 1 20 . 1 1 83 83 TYR CB C 83 38.500 38.500 38.505 -0.005 19452 10539 1 20 . 1 1 83 83 TYR H H 83 7.780 7.780 8.018 -0.238 19452 10540 1 20 . 1 1 84 84 GLY N N 84 110.200 110.200 105.747 4.453 19452 10541 1 20 . 1 1 84 84 GLY C C 84 175.300 175.300 172.694 2.606 19452 10542 1 20 . 1 1 84 84 GLY CA C 84 47.100 47.100 44.736 2.364 19452 10543 1 20 . 1 1 84 84 GLY H H 84 7.670 7.670 7.343 0.327 19452 10544 1 20 . 1 1 85 85 VAL N N 85 121.300 121.300 125.678 -4.378 19452 10545 1 20 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.226 -0.356 19452 10546 1 20 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.571 1.429 19452 10547 1 20 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.176 -2.676 19452 10548 1 20 . 1 1 85 85 VAL H H 85 8.500 8.500 8.370 0.130 19452 10549 1 20 . 1 1 90 90 THR HA H 90 5.170 5.170 3.985 1.185 19452 10550 1 20 . 1 1 90 90 THR C C 90 172.300 172.300 176.765 -4.465 19452 10551 1 20 . 1 1 90 90 THR CA C 90 63.500 63.500 64.500 -1.000 19452 10552 1 20 . 1 1 90 90 THR CB C 90 73.300 73.300 68.162 5.138 19452 10553 1 20 . 1 1 91 91 ILE N N 91 126.600 126.600 117.174 9.426 19452 10554 1 20 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.194 1.396 19452 10555 1 20 . 1 1 91 91 ILE C C 91 175.900 175.900 176.595 -0.695 19452 10556 1 20 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.465 -3.065 19452 10557 1 20 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.084 1.916 19452 10558 1 20 . 1 1 91 91 ILE H H 91 9.340 9.340 7.765 1.575 19452 10559 1 20 . 1 1 92 92 LEU N N 92 125.700 125.700 118.472 7.228 19452 10560 1 20 . 1 1 92 92 LEU HA H 92 5.120 5.120 4.189 0.931 19452 10561 1 20 . 1 1 92 92 LEU C C 92 176.100 176.100 175.943 0.157 19452 10562 1 20 . 1 1 92 92 LEU CA C 92 53.100 53.100 55.021 -1.921 19452 10563 1 20 . 1 1 92 92 LEU H H 92 9.120 9.120 7.324 1.796 19452 10564 1 20 . 1 1 93 93 MET N N 93 117.700 117.700 119.650 -1.950 19452 10565 1 20 . 1 1 93 93 MET HA H 93 5.860 5.860 4.787 1.073 19452 10566 1 20 . 1 1 93 93 MET C C 93 174.400 174.400 176.297 -1.897 19452 10567 1 20 . 1 1 93 93 MET CA C 93 54.400 54.400 54.537 -0.137 19452 10568 1 20 . 1 1 93 93 MET CB C 93 34.100 34.100 34.007 0.093 19452 10569 1 20 . 1 1 93 93 MET H H 93 8.080 8.080 8.492 -0.412 19452 10570 1 20 . 1 1 94 94 PHE N N 94 123.300 123.300 125.941 -2.641 19452 10571 1 20 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.482 1.088 19452 10572 1 20 . 1 1 94 94 PHE C C 94 174.800 174.800 176.595 -1.795 19452 10573 1 20 . 1 1 94 94 PHE CA C 94 55.900 55.900 59.273 -3.373 19452 10574 1 20 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.577 5.223 19452 10575 1 20 . 1 1 94 94 PHE H H 94 9.990 9.990 8.696 1.294 19452 10576 1 20 . 1 1 95 95 LYS N N 95 117.100 117.100 122.469 -5.369 19452 10577 1 20 . 1 1 95 95 LYS C C 95 176.500 176.500 175.036 1.464 19452 10578 1 20 . 1 1 95 95 LYS CA C 95 57.500 57.500 56.279 1.220 19452 10579 1 20 . 1 1 95 95 LYS CB C 95 37.200 37.200 30.003 7.197 19452 10580 1 20 . 1 1 95 95 LYS H H 95 8.630 8.630 8.697 -0.067 19452 10581 1 20 . 1 1 96 96 ASN N N 96 130.400 130.400 116.124 14.276 19452 10582 1 20 . 1 1 96 96 ASN HA H 96 4.820 4.820 5.314 -0.494 19452 10583 1 20 . 1 1 96 96 ASN C C 96 175.900 175.900 172.851 3.049 19452 10584 1 20 . 1 1 96 96 ASN CA C 96 54.500 54.500 49.170 5.330 19452 10585 1 20 . 1 1 96 96 ASN CB C 96 36.900 36.900 39.642 -2.742 19452 10586 1 20 . 1 1 96 96 ASN H H 96 10.190 10.190 8.054 2.136 19452 10587 1 20 . 1 1 97 97 GLY C C 97 173.700 173.700 173.657 0.043 19452 10588 1 20 . 1 1 97 97 GLY CA C 97 46.000 46.000 45.115 0.885 19452 10589 1 20 . 1 1 98 98 LYS N N 98 120.300 120.300 122.799 -2.499 19452 10590 1 20 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.508 0.232 19452 10591 1 20 . 1 1 98 98 LYS C C 98 175.500 175.500 174.694 0.806 19452 10592 1 20 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.710 -1.010 19452 10593 1 20 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.774 -2.574 19452 10594 1 20 . 1 1 98 98 LYS H H 98 7.840 7.840 8.136 -0.296 19452 10595 1 20 . 1 1 99 99 LYS N N 99 124.900 124.900 123.087 1.813 19452 10596 1 20 . 1 1 99 99 LYS HA H 99 3.610 3.610 4.828 -1.218 19452 10597 1 20 . 1 1 99 99 LYS C C 99 176.300 176.300 174.751 1.549 19452 10598 1 20 . 1 1 99 99 LYS CA C 99 56.600 56.600 54.663 1.937 19452 10599 1 20 . 1 1 99 99 LYS CB C 99 31.500 31.500 34.868 -3.368 19452 10600 1 20 . 1 1 99 99 LYS H H 99 8.880 8.880 8.838 0.042 19452 10601 1 20 . 1 1 100 100 LEU N N 100 128.800 128.800 126.093 2.707 19452 10602 1 20 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.506 -0.066 19452 10603 1 20 . 1 1 100 100 LEU C C 100 177.400 177.400 175.603 1.797 19452 10604 1 20 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.714 1.586 19452 10605 1 20 . 1 1 100 100 LEU CB C 100 44.100 44.100 43.733 0.367 19452 10606 1 20 . 1 1 100 100 LEU H H 100 9.320 9.320 8.530 0.790 19452 10607 1 20 . 1 1 101 101 SER N N 101 109.000 109.000 118.207 -9.207 19452 10608 1 20 . 1 1 101 101 SER HA H 101 4.550 4.550 5.034 -0.484 19452 10609 1 20 . 1 1 101 101 SER C C 101 172.400 172.400 173.467 -1.067 19452 10610 1 20 . 1 1 101 101 SER CA C 101 57.200 57.200 58.257 -1.057 19452 10611 1 20 . 1 1 101 101 SER CB C 101 64.400 64.400 63.937 0.463 19452 10612 1 20 . 1 1 101 101 SER H H 101 7.260 7.260 8.618 -1.358 19452 10613 1 20 . 1 1 102 102 GLN N N 102 119.900 119.900 123.876 -3.976 19452 10614 1 20 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.479 -0.259 19452 10615 1 20 . 1 1 102 102 GLN C C 102 173.800 173.800 174.757 -0.957 19452 10616 1 20 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.734 0.666 19452 10617 1 20 . 1 1 102 102 GLN CB C 102 31.800 31.800 33.144 -1.344 19452 10618 1 20 . 1 1 102 102 GLN H H 102 8.230 8.230 9.083 -0.853 19452 10619 1 20 . 1 1 103 103 VAL N N 103 123.800 123.800 120.477 3.323 19452 10620 1 20 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.376 -0.046 19452 10621 1 20 . 1 1 103 103 VAL C C 103 174.600 174.600 175.166 -0.566 19452 10622 1 20 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.530 -0.830 19452 10623 1 20 . 1 1 103 103 VAL CB C 103 34.600 34.600 35.243 -0.643 19452 10624 1 20 . 1 1 103 103 VAL H H 103 9.310 9.310 9.169 0.141 19452 10625 1 20 . 1 1 104 104 ILE N N 104 129.400 129.400 127.260 2.140 19452 10626 1 20 . 1 1 104 104 ILE C C 104 176.400 176.400 175.580 0.820 19452 10627 1 20 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.698 -1.198 19452 10628 1 20 . 1 1 104 104 ILE CB C 104 38.700 38.700 37.209 1.491 19452 10629 1 20 . 1 1 104 104 ILE H H 104 8.970 8.970 9.039 -0.069 19452 10630 1 20 . 1 1 105 105 GLY N N 105 115.400 115.400 103.575 11.825 19452 10631 1 20 . 1 1 105 105 GLY C C 105 172.700 172.700 174.036 -1.336 19452 10632 1 20 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.409 -1.709 19452 10633 1 20 . 1 1 105 105 GLY H H 105 8.500 8.500 8.642 -0.142 19452 10634 1 20 . 1 1 106 106 ALA N N 106 120.200 120.200 121.071 -0.871 19452 10635 1 20 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.654 -0.274 19452 10636 1 20 . 1 1 106 106 ALA C C 106 176.300 176.300 175.889 0.411 19452 10637 1 20 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.355 0.145 19452 10638 1 20 . 1 1 106 106 ALA CB C 106 18.400 18.400 23.086 -4.686 19452 10639 1 20 . 1 1 106 106 ALA H H 106 8.360 8.360 7.774 0.586 19452 10640 1 20 . 1 1 107 107 ASP N N 107 121.100 121.100 122.700 -1.600 19452 10641 1 20 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.330 -0.560 19452 10642 1 20 . 1 1 107 107 ASP C C 107 176.600 176.600 175.571 1.029 19452 10643 1 20 . 1 1 107 107 ASP CA C 107 52.600 52.600 54.233 -1.633 19452 10644 1 20 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.636 -1.036 19452 10645 1 20 . 1 1 107 107 ASP H H 107 7.610 7.610 8.712 -1.102 19452 10646 1 20 . 1 1 108 108 ILE N N 108 125.700 125.700 120.457 5.243 19452 10647 1 20 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.409 -0.399 19452 10648 1 20 . 1 1 108 108 ILE C C 108 176.400 176.400 175.474 0.926 19452 10649 1 20 . 1 1 108 108 ILE CA C 108 60.700 60.700 60.235 0.465 19452 10650 1 20 . 1 1 108 108 ILE CB C 108 38.300 38.300 37.870 0.430 19452 10651 1 20 . 1 1 108 108 ILE H H 108 8.550 8.550 8.408 0.142 19452 10652 1 20 . 1 1 109 109 SER N N 109 117.700 117.700 110.105 7.595 19452 10653 1 20 . 1 1 109 109 SER HA H 109 4.180 4.180 4.473 -0.293 19452 10654 1 20 . 1 1 109 109 SER C C 109 177.300 177.300 171.909 5.391 19452 10655 1 20 . 1 1 109 109 SER CA C 109 61.700 61.700 58.740 2.960 19452 10656 1 20 . 1 1 109 109 SER CB C 109 62.100 62.100 65.411 -3.311 19452 10657 1 20 . 1 1 109 109 SER H H 109 8.330 8.330 7.378 0.952 19452 10658 1 20 . 1 1 110 110 LYS N N 110 123.200 123.200 120.652 2.548 19452 10659 1 20 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.816 -0.596 19452 10660 1 20 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.518 2.582 19452 10661 1 20 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.180 -1.880 19452 10662 1 20 . 1 1 110 110 LYS H H 110 7.480 7.480 8.659 -1.179 19452 10663 1 20 . 1 1 111 111 ILE N N 111 119.300 119.300 125.199 -5.899 19452 10664 1 20 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.229 -0.199 19452 10665 1 20 . 1 1 111 111 ILE C C 111 177.200 177.200 174.869 2.331 19452 10666 1 20 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.544 0.556 19452 10667 1 20 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.906 -2.106 19452 10668 1 20 . 1 1 111 111 ILE H H 111 7.640 7.640 8.010 -0.370 19452 10669 1 20 . 1 1 112 112 ILE N N 112 118.700 118.700 126.583 -7.883 19452 10670 1 20 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.317 -0.887 19452 10671 1 20 . 1 1 112 112 ILE C C 112 177.700 177.700 176.192 1.508 19452 10672 1 20 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.779 5.321 19452 10673 1 20 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.332 0.168 19452 10674 1 20 . 1 1 112 112 ILE H H 112 8.410 8.410 8.440 -0.030 19452 10675 1 20 . 1 1 113 113 SER N N 113 113.800 113.800 123.497 -9.697 19452 10676 1 20 . 1 1 113 113 SER HA H 113 4.200 4.200 4.310 -0.110 19452 10677 1 20 . 1 1 113 113 SER C C 113 177.200 177.200 172.623 4.577 19452 10678 1 20 . 1 1 113 113 SER CA C 113 62.000 62.000 57.677 4.323 19452 10679 1 20 . 1 1 113 113 SER H H 113 7.920 7.920 8.695 -0.775 19452 10680 1 20 . 1 1 114 114 GLU N N 114 119.400 119.400 121.390 -1.990 19452 10681 1 20 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.638 -0.488 19452 10682 1 20 . 1 1 114 114 GLU C C 114 179.900 179.900 174.553 5.347 19452 10683 1 20 . 1 1 114 114 GLU CA C 114 58.500 58.500 56.585 1.915 19452 10684 1 20 . 1 1 114 114 GLU CB C 114 27.300 27.300 31.174 -3.873 19452 10685 1 20 . 1 1 114 114 GLU H H 114 8.010 8.010 8.457 -0.447 19452 10686 1 20 . 1 1 115 115 ILE N N 115 121.700 121.700 124.816 -3.116 19452 10687 1 20 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.208 -0.828 19452 10688 1 20 . 1 1 115 115 ILE C C 115 178.100 178.100 174.993 3.107 19452 10689 1 20 . 1 1 115 115 ILE CA C 115 66.000 66.000 61.435 4.565 19452 10690 1 20 . 1 1 115 115 ILE CB C 115 37.700 37.700 39.090 -1.390 19452 10691 1 20 . 1 1 115 115 ILE H H 115 8.370 8.370 7.984 0.386 19452 10692 1 20 . 1 1 116 116 ASN N N 116 116.100 116.100 123.413 -7.313 19452 10693 1 20 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.363 -0.033 19452 10694 1 20 . 1 1 116 116 ASN C C 116 177.900 177.900 176.051 1.849 19452 10695 1 20 . 1 1 116 116 ASN CA C 116 55.900 55.900 54.881 1.019 19452 10696 1 20 . 1 1 116 116 ASN CB C 116 37.600 37.600 39.016 -1.416 19452 10697 1 20 . 1 1 116 116 ASN H H 116 8.230 8.230 8.643 -0.413 19452 10698 1 20 . 1 1 117 117 ASN N N 117 115.400 115.400 117.224 -1.824 19452 10699 1 20 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.413 0.217 19452 10700 1 20 . 1 1 117 117 ASN C C 117 176.200 176.200 177.262 -1.062 19452 10701 1 20 . 1 1 117 117 ASN CA C 117 54.300 54.300 56.044 -1.744 19452 10702 1 20 . 1 1 117 117 ASN CB C 117 39.100 39.100 38.082 1.018 19452 10703 1 20 . 1 1 117 117 ASN H H 117 7.930 7.930 8.248 -0.318 19452 10704 1 20 . 1 1 118 118 ASN N N 118 115.400 115.400 121.029 -5.629 19452 10705 1 20 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.599 0.411 19452 10706 1 20 . 1 1 118 118 ASN C C 118 174.400 174.400 177.033 -2.633 19452 10707 1 20 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.147 -0.947 19452 10708 1 20 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.264 3.936 19452 10709 1 20 . 1 1 118 118 ASN H H 118 7.710 7.710 7.936 -0.226 19452 10710 1 20 . 1 1 119 119 ILE N N 119 117.300 117.300 118.592 -1.292 19452 10711 1 20 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.718 0.602 19452 10712 1 20 . 1 1 119 119 ILE C C 119 174.900 174.900 177.862 -2.962 19452 10713 1 20 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.614 -2.414 19452 10714 1 20 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.594 1.606 19452 10715 1 20 . 1 1 119 119 ILE H H 119 7.520 7.520 8.046 -0.526 19452 10716 1 20 . 1 1 120 120 ASN N N 120 124.900 124.900 114.133 10.767 19452 10717 1 20 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.545 -0.035 19452 10718 1 20 . 1 1 120 120 ASN CA C 120 55.000 55.000 56.076 -1.076 19452 10719 1 20 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.983 2.217 19452 10720 1 20 . 1 1 120 120 ASN H H 120 7.960 7.960 8.107 -0.147 19452 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 92 5.123 0.057 5.150 19452 2 1 1 "Average Difference" HA 92 0.632 0.010 0.635 19452 3 1 1 "Average Difference" C 89 2.446 -0.555 2.396 19452 4 1 1 "Average Difference" CA 99 2.882 -0.549 2.844 19452 5 1 1 "Average Difference" CB 85 2.275 0.209 2.279 19452 6 1 1 "Average Difference" HN 91 0.858 -0.066 0.860 19452 7 1 2 "Average Difference" N 92 5.006 -0.555 5.002 19452 8 1 2 "Average Difference" HA 92 0.676 -0.021 0.680 19452 9 1 2 "Average Difference" C 89 2.521 -0.607 2.460 19452 10 1 2 "Average Difference" CA 99 2.823 -0.488 2.795 19452 11 1 2 "Average Difference" CB 85 2.369 0.261 2.369 19452 12 1 2 "Average Difference" HN 91 0.833 -0.057 0.836 19452 13 1 3 "Average Difference" N 92 4.947 -0.131 4.973 19452 14 1 3 "Average Difference" HA 92 0.640 0.033 0.642 19452 15 1 3 "Average Difference" C 89 2.454 -0.640 2.382 19452 16 1 3 "Average Difference" CA 99 2.964 -0.562 2.925 19452 17 1 3 "Average Difference" CB 85 2.415 0.318 2.408 19452 18 1 3 "Average Difference" HN 91 0.848 -0.078 0.849 19452 19 1 4 "Average Difference" N 92 4.964 0.043 4.991 19452 20 1 4 "Average Difference" HA 92 0.626 0.004 0.629 19452 21 1 4 "Average Difference" C 89 2.414 -0.562 2.361 19452 22 1 4 "Average Difference" CA 99 2.799 -0.501 2.768 19452 23 1 4 "Average Difference" CB 85 2.304 0.315 2.296 19452 24 1 4 "Average Difference" HN 91 0.862 -0.056 0.865 19452 25 1 5 "Average Difference" N 92 5.090 -0.264 5.111 19452 26 1 5 "Average Difference" HA 92 0.692 -0.006 0.696 19452 27 1 5 "Average Difference" C 89 2.464 -0.562 2.412 19452 28 1 5 "Average Difference" CA 99 2.918 -0.551 2.880 19452 29 1 5 "Average Difference" CB 85 2.352 0.210 2.356 19452 30 1 5 "Average Difference" HN 91 0.843 -0.091 0.842 19452 31 1 6 "Average Difference" N 92 5.036 -0.285 5.055 19452 32 1 6 "Average Difference" HA 92 0.635 -0.007 0.638 19452 33 1 6 "Average Difference" C 89 2.519 -0.595 2.461 19452 34 1 6 "Average Difference" CA 99 2.864 -0.458 2.842 19452 35 1 6 "Average Difference" CB 85 2.319 0.265 2.317 19452 36 1 6 "Average Difference" HN 91 0.837 -0.054 0.840 19452 37 1 7 "Average Difference" N 92 5.050 -0.226 5.072 19452 38 1 7 "Average Difference" HA 92 0.639 0.003 0.643 19452 39 1 7 "Average Difference" C 89 2.499 -0.509 2.461 19452 40 1 7 "Average Difference" CA 99 2.827 -0.504 2.796 19452 41 1 7 "Average Difference" CB 85 2.357 0.189 2.363 19452 42 1 7 "Average Difference" HN 91 0.856 -0.092 0.856 19452 43 1 8 "Average Difference" N 92 5.112 -0.298 5.132 19452 44 1 8 "Average Difference" HA 92 0.625 -0.018 0.628 19452 45 1 8 "Average Difference" C 89 2.496 -0.552 2.448 19452 46 1 8 "Average Difference" CA 99 2.811 -0.496 2.781 19452 47 1 8 "Average Difference" CB 85 2.326 0.215 2.330 19452 48 1 8 "Average Difference" HN 91 0.832 -0.116 0.829 19452 49 1 9 "Average Difference" N 92 5.213 -0.403 5.226 19452 50 1 9 "Average Difference" HA 92 0.625 -0.001 0.629 19452 51 1 9 "Average Difference" C 89 2.409 -0.513 2.367 19452 52 1 9 "Average Difference" CA 99 2.834 -0.551 2.794 19452 53 1 9 "Average Difference" CB 85 2.291 0.334 2.280 19452 54 1 9 "Average Difference" HN 91 0.873 -0.103 0.871 19452 55 1 10 "Average Difference" N 92 5.294 0.028 5.323 19452 56 1 10 "Average Difference" HA 92 0.649 -0.001 0.653 19452 57 1 10 "Average Difference" C 89 2.517 -0.563 2.467 19452 58 1 10 "Average Difference" CA 99 2.883 -0.615 2.831 19452 59 1 10 "Average Difference" CB 85 2.224 0.230 2.225 19452 60 1 10 "Average Difference" HN 91 0.856 -0.110 0.853 19452 61 1 11 "Average Difference" N 92 5.232 -0.360 5.248 19452 62 1 11 "Average Difference" HA 92 0.655 0.004 0.659 19452 63 1 11 "Average Difference" C 89 2.491 -0.606 2.430 19452 64 1 11 "Average Difference" CA 99 2.810 -0.500 2.779 19452 65 1 11 "Average Difference" CB 85 2.324 0.302 2.318 19452 66 1 11 "Average Difference" HN 91 0.879 -0.064 0.882 19452 67 1 12 "Average Difference" N 92 5.191 0.151 5.218 19452 68 1 12 "Average Difference" HA 92 0.607 -0.008 0.610 19452 69 1 12 "Average Difference" C 89 2.516 -0.620 2.452 19452 70 1 12 "Average Difference" CA 99 2.856 -0.529 2.821 19452 71 1 12 "Average Difference" CB 85 2.273 0.345 2.260 19452 72 1 12 "Average Difference" HN 91 0.860 -0.046 0.863 19452 73 1 13 "Average Difference" N 92 4.949 -0.454 4.955 19452 74 1 13 "Average Difference" HA 92 0.692 -0.031 0.695 19452 75 1 13 "Average Difference" C 89 2.447 -0.592 2.387 19452 76 1 13 "Average Difference" CA 99 2.948 -0.503 2.920 19452 77 1 13 "Average Difference" CB 85 2.464 0.205 2.470 19452 78 1 13 "Average Difference" HN 91 0.860 -0.092 0.859 19452 79 1 14 "Average Difference" N 92 5.116 -0.063 5.144 19452 80 1 14 "Average Difference" HA 92 0.654 0.004 0.658 19452 81 1 14 "Average Difference" C 89 2.456 -0.543 2.409 19452 82 1 14 "Average Difference" CA 99 2.888 -0.515 2.856 19452 83 1 14 "Average Difference" CB 85 2.308 0.181 2.315 19452 84 1 14 "Average Difference" HN 91 0.859 -0.092 0.859 19452 85 1 15 "Average Difference" N 92 5.097 -0.037 5.124 19452 86 1 15 "Average Difference" HA 92 0.647 0.021 0.650 19452 87 1 15 "Average Difference" C 89 2.458 -0.626 2.391 19452 88 1 15 "Average Difference" CA 99 2.886 -0.462 2.863 19452 89 1 15 "Average Difference" CB 85 2.322 0.181 2.329 19452 90 1 15 "Average Difference" HN 91 0.862 -0.089 0.863 19452 91 1 16 "Average Difference" N 92 5.206 -0.325 5.225 19452 92 1 16 "Average Difference" HA 92 0.621 -0.008 0.625 19452 93 1 16 "Average Difference" C 89 2.471 -0.645 2.399 19452 94 1 16 "Average Difference" CA 99 2.916 -0.555 2.877 19452 95 1 16 "Average Difference" CB 85 2.331 0.264 2.329 19452 96 1 16 "Average Difference" HN 91 0.822 -0.114 0.819 19452 97 1 17 "Average Difference" N 92 5.157 -0.440 5.167 19452 98 1 17 "Average Difference" HA 92 0.650 0.049 0.652 19452 99 1 17 "Average Difference" C 89 2.529 -0.613 2.468 19452 100 1 17 "Average Difference" CA 99 2.840 -0.634 2.782 19452 101 1 17 "Average Difference" CB 85 2.440 0.290 2.437 19452 102 1 17 "Average Difference" HN 91 0.820 -0.072 0.821 19452 103 1 18 "Average Difference" N 92 5.427 0.370 5.444 19452 104 1 18 "Average Difference" HA 92 0.619 0.003 0.622 19452 105 1 18 "Average Difference" C 89 2.406 -0.530 2.360 19452 106 1 18 "Average Difference" CA 99 2.770 -0.483 2.741 19452 107 1 18 "Average Difference" CB 85 2.251 0.242 2.251 19452 108 1 18 "Average Difference" HN 91 0.867 -0.072 0.869 19452 109 1 19 "Average Difference" N 92 5.157 -0.289 5.177 19452 110 1 19 "Average Difference" HA 92 0.646 0.013 0.649 19452 111 1 19 "Average Difference" C 89 2.500 -0.632 2.432 19452 112 1 19 "Average Difference" CA 99 2.826 -0.524 2.791 19452 113 1 19 "Average Difference" CB 85 2.388 0.232 2.391 19452 114 1 19 "Average Difference" HN 91 0.838 -0.111 0.835 19452 115 1 20 "Average Difference" N 92 5.434 0.205 5.460 19452 116 1 20 "Average Difference" HA 92 0.624 0.014 0.627 19452 117 1 20 "Average Difference" C 89 2.542 -0.732 2.449 19452 118 1 20 "Average Difference" CA 99 2.937 -0.541 2.902 19452 119 1 20 "Average Difference" CB 85 2.456 0.257 2.457 19452 120 1 20 "Average Difference" HN 91 0.851 -0.034 0.855 19452 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 19452 _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 GLY N N 2 109.900 109.900 110.667 -0.767 19452 2 1 . 1 1 2 2 GLY C C 2 174.400 174.400 173.620 0.780 19452 3 1 . 1 1 2 2 GLY CA C 2 45.600 45.600 45.111 0.488 19452 4 1 . 1 1 2 2 GLY H H 2 8.480 8.480 8.462 0.018 19452 5 1 . 1 1 3 3 THR N N 3 113.700 113.700 114.452 -0.752 19452 6 1 . 1 1 3 3 THR C C 3 174.900 174.900 173.417 1.483 19452 7 1 . 1 1 3 3 THR CA C 3 62.400 62.400 61.905 0.495 19452 8 1 . 1 1 3 3 THR CB C 3 70.000 70.000 70.006 -0.006 19452 9 1 . 1 1 3 3 THR H H 3 8.090 8.090 8.354 -0.264 19452 10 1 . 1 1 4 4 LEU N N 4 124.100 124.100 121.833 2.267 19452 11 1 . 1 1 4 4 LEU C C 4 177.600 177.600 175.729 1.871 19452 12 1 . 1 1 4 4 LEU CA C 4 55.700 55.700 54.619 1.081 19452 13 1 . 1 1 4 4 LEU CB C 4 42.300 42.300 43.154 -0.854 19452 14 1 . 1 1 4 4 LEU H H 4 8.400 8.400 8.333 0.067 19452 15 1 . 1 1 5 5 GLU N N 5 121.600 121.600 120.795 0.805 19452 16 1 . 1 1 5 5 GLU C C 5 176.500 176.500 175.634 0.866 19452 17 1 . 1 1 5 5 GLU CA C 5 57.000 57.000 55.978 1.022 19452 18 1 . 1 1 5 5 GLU CB C 5 29.900 29.900 31.163 -1.263 19452 19 1 . 1 1 5 5 GLU H H 5 8.430 8.430 8.428 0.002 19452 20 1 . 1 1 6 6 ALA N N 6 124.500 124.500 123.324 1.176 19452 21 1 . 1 1 6 6 ALA C C 6 177.900 177.900 176.383 1.517 19452 22 1 . 1 1 6 6 ALA CA C 6 52.900 52.900 51.521 1.379 19452 23 1 . 1 1 6 6 ALA CB C 6 19.200 19.200 20.261 -1.061 19452 24 1 . 1 1 6 6 ALA H H 6 8.330 8.330 8.218 0.112 19452 25 1 . 1 1 7 7 GLN N N 7 119.200 119.200 119.918 -0.718 19452 26 1 . 1 1 7 7 GLN C C 7 176.400 176.400 174.720 1.680 19452 27 1 . 1 1 7 7 GLN CA C 7 56.000 56.000 55.365 0.635 19452 28 1 . 1 1 7 7 GLN CB C 7 29.200 29.200 30.323 -1.123 19452 29 1 . 1 1 7 7 GLN H H 7 8.400 8.400 8.348 0.052 19452 30 1 . 1 1 8 8 THR N N 8 115.100 115.100 115.511 -0.411 19452 31 1 . 1 1 8 8 THR C C 8 174.500 174.500 173.785 0.715 19452 32 1 . 1 1 8 8 THR CA C 8 62.300 62.300 61.709 0.591 19452 33 1 . 1 1 8 8 THR CB C 8 70.000 70.000 70.143 -0.143 19452 34 1 . 1 1 8 8 THR H H 8 8.210 8.210 8.255 -0.045 19452 35 1 . 1 1 9 9 GLN N N 9 122.300 122.300 120.417 1.882 19452 36 1 . 1 1 9 9 GLN C C 9 176.100 176.100 175.067 1.033 19452 37 1 . 1 1 9 9 GLN CA C 9 55.900 55.900 55.879 0.021 19452 38 1 . 1 1 9 9 GLN CB C 9 29.500 29.500 30.642 -1.142 19452 39 1 . 1 1 9 9 GLN H H 9 8.470 8.470 8.374 0.096 19452 40 1 . 1 1 10 10 GLY N N 10 110.300 110.300 109.092 1.208 19452 41 1 . 1 1 10 10 GLY CA C 10 44.400 44.400 45.023 -0.623 19452 42 1 . 1 1 10 10 GLY H H 10 8.360 8.360 8.447 -0.087 19452 43 1 . 1 1 11 11 PRO HA H 11 4.440 4.440 4.615 -0.175 19452 44 1 . 1 1 11 11 PRO C C 11 177.800 177.800 176.752 1.048 19452 45 1 . 1 1 11 11 PRO CA C 11 63.300 63.300 62.587 0.713 19452 46 1 . 1 1 11 11 PRO CB C 11 32.000 32.000 32.993 -0.993 19452 47 1 . 1 1 12 12 GLY N N 12 109.600 109.600 110.989 -1.389 19452 48 1 . 1 1 12 12 GLY CA C 12 44.900 44.900 45.253 -0.353 19452 49 1 . 1 1 12 12 GLY H H 12 8.600 8.600 8.469 0.131 19452 50 1 . 1 1 13 13 SER N N 13 114.700 114.700 117.246 -2.546 19452 51 1 . 1 1 13 13 SER HA H 13 4.510 4.510 4.486 0.024 19452 52 1 . 1 1 13 13 SER C C 13 175.300 175.300 173.722 1.578 19452 53 1 . 1 1 13 13 SER CA C 13 57.800 57.800 58.074 -0.274 19452 54 1 . 1 1 13 13 SER CB C 13 62.300 62.300 63.825 -1.526 19452 55 1 . 1 1 13 13 SER H H 13 8.130 8.130 8.261 -0.131 19452 56 1 . 1 1 14 14 MET N N 14 124.300 124.300 121.402 2.898 19452 57 1 . 1 1 14 14 MET HA H 14 4.470 4.470 4.535 -0.065 19452 58 1 . 1 1 14 14 MET CA C 14 55.700 55.700 55.554 0.146 19452 59 1 . 1 1 14 14 MET CB C 14 32.700 32.700 32.946 -0.246 19452 60 1 . 1 1 14 14 MET H H 14 9.430 9.430 8.379 1.051 19452 61 1 . 1 1 15 15 ILE N N 15 122.600 122.600 120.563 2.037 19452 62 1 . 1 1 15 15 ILE HA H 15 4.010 4.010 4.263 -0.253 19452 63 1 . 1 1 15 15 ILE C C 15 175.300 175.300 175.551 -0.251 19452 64 1 . 1 1 15 15 ILE CA C 15 60.700 60.700 61.128 -0.429 19452 65 1 . 1 1 15 15 ILE CB C 15 37.500 37.500 38.624 -1.124 19452 66 1 . 1 1 15 15 ILE H H 15 8.520 8.520 8.262 0.258 19452 67 1 . 1 1 16 16 GLU N N 16 129.300 129.300 120.706 8.594 19452 68 1 . 1 1 16 16 GLU HA H 16 4.370 4.370 4.346 0.024 19452 69 1 . 1 1 16 16 GLU C C 16 175.500 175.500 176.161 -0.661 19452 70 1 . 1 1 16 16 GLU CA C 16 56.100 56.100 56.549 -0.449 19452 71 1 . 1 1 16 16 GLU CB C 16 31.400 31.400 30.149 1.251 19452 72 1 . 1 1 16 16 GLU H H 16 8.220 8.220 8.310 -0.090 19452 73 1 . 1 1 17 17 GLN N N 17 124.500 124.500 121.894 2.606 19452 74 1 . 1 1 17 17 GLN HA H 17 5.120 5.120 4.496 0.624 19452 75 1 . 1 1 17 17 GLN C C 17 176.000 176.000 175.134 0.866 19452 76 1 . 1 1 17 17 GLN CA C 17 55.200 55.200 55.590 -0.391 19452 77 1 . 1 1 17 17 GLN CB C 17 30.400 30.400 29.918 0.482 19452 78 1 . 1 1 17 17 GLN H H 17 8.810 8.810 8.377 0.433 19452 79 1 . 1 1 18 18 ILE N N 18 118.700 118.700 121.959 -3.259 19452 80 1 . 1 1 18 18 ILE C C 18 174.400 174.400 173.943 0.457 19452 81 1 . 1 1 18 18 ILE CA C 18 59.600 59.600 61.077 -1.477 19452 82 1 . 1 1 18 18 ILE H H 18 8.840 8.840 8.233 0.607 19452 83 1 . 1 1 19 19 GLY C C 19 174.800 174.800 174.272 0.528 19452 84 1 . 1 1 19 19 GLY CA C 19 43.100 43.100 44.591 -1.491 19452 85 1 . 1 1 20 20 ASP N N 20 119.100 119.100 119.414 -0.314 19452 86 1 . 1 1 20 20 ASP HA H 20 4.590 4.590 4.656 -0.066 19452 87 1 . 1 1 20 20 ASP C C 20 179.900 179.900 175.488 4.412 19452 88 1 . 1 1 20 20 ASP CA C 20 58.000 58.000 54.095 3.905 19452 89 1 . 1 1 20 20 ASP H H 20 8.090 8.090 8.413 -0.323 19452 90 1 . 1 1 21 21 SER N N 21 112.000 112.000 117.471 -5.471 19452 91 1 . 1 1 21 21 SER HA H 21 4.320 4.320 4.609 -0.289 19452 92 1 . 1 1 21 21 SER CA C 21 60.700 60.700 58.582 2.118 19452 93 1 . 1 1 21 21 SER CB C 21 62.500 62.500 64.066 -1.566 19452 94 1 . 1 1 21 21 SER H H 21 8.750 8.750 8.310 0.440 19452 95 1 . 1 1 22 22 GLU N N 22 119.000 119.000 121.760 -2.760 19452 96 1 . 1 1 22 22 GLU HA H 22 4.580 4.580 4.354 0.226 19452 97 1 . 1 1 22 22 GLU C C 22 176.000 176.000 176.354 -0.354 19452 98 1 . 1 1 22 22 GLU CA C 22 56.200 56.200 57.106 -0.906 19452 99 1 . 1 1 22 22 GLU CB C 22 31.600 31.600 30.320 1.280 19452 100 1 . 1 1 22 22 GLU H H 22 7.660 7.660 8.418 -0.758 19452 101 1 . 1 1 23 23 PHE N N 23 120.900 120.900 120.913 -0.013 19452 102 1 . 1 1 23 23 PHE HA H 23 3.570 3.570 4.459 -0.889 19452 103 1 . 1 1 23 23 PHE C C 23 176.500 176.500 175.177 1.323 19452 104 1 . 1 1 23 23 PHE CA C 23 63.100 63.100 58.403 4.697 19452 105 1 . 1 1 23 23 PHE CB C 23 40.700 40.700 39.165 1.535 19452 106 1 . 1 1 23 23 PHE H H 23 7.490 7.490 7.976 -0.486 19452 107 1 . 1 1 24 24 ASP N N 24 118.500 118.500 126.823 -8.323 19452 108 1 . 1 1 24 24 ASP HA H 24 4.630 4.630 5.004 -0.374 19452 109 1 . 1 1 24 24 ASP C C 24 178.400 178.400 174.991 3.409 19452 110 1 . 1 1 24 24 ASP CA C 24 56.700 56.700 52.301 4.399 19452 111 1 . 1 1 24 24 ASP CB C 24 40.200 40.200 43.796 -3.596 19452 112 1 . 1 1 24 24 ASP H H 24 8.900 8.900 8.850 0.050 19452 113 1 . 1 1 25 25 ASN N N 25 117.200 117.200 119.516 -2.316 19452 114 1 . 1 1 25 25 ASN HA H 25 4.200 4.200 5.068 -0.868 19452 115 1 . 1 1 25 25 ASN C C 25 176.400 176.400 175.181 1.219 19452 116 1 . 1 1 25 25 ASN CA C 25 56.000 56.000 52.802 3.198 19452 117 1 . 1 1 25 25 ASN CB C 25 39.000 39.000 39.255 -0.255 19452 118 1 . 1 1 26 26 LYS N N 26 112.800 112.800 117.813 -5.013 19452 119 1 . 1 1 26 26 LYS HA H 26 4.000 4.000 4.742 -0.742 19452 120 1 . 1 1 26 26 LYS C C 26 175.500 175.500 175.044 0.456 19452 121 1 . 1 1 26 26 LYS CA C 26 56.300 56.300 54.328 1.971 19452 122 1 . 1 1 26 26 LYS CB C 26 33.000 33.000 35.224 -2.224 19452 123 1 . 1 1 26 26 LYS H H 26 7.730 7.730 8.606 -0.876 19452 124 1 . 1 1 27 27 VAL N N 27 114.500 114.500 116.556 -2.057 19452 125 1 . 1 1 27 27 VAL HA H 27 4.040 4.040 4.362 -0.322 19452 126 1 . 1 1 27 27 VAL C C 27 177.900 177.900 175.313 2.587 19452 127 1 . 1 1 27 27 VAL CA C 27 63.700 63.700 60.917 2.783 19452 128 1 . 1 1 27 27 VAL H H 27 7.680 7.680 8.147 -0.467 19452 129 1 . 1 1 28 28 THR N N 28 110.000 110.000 113.777 -3.777 19452 130 1 . 1 1 28 28 THR HA H 28 3.710 3.710 4.053 -0.343 19452 131 1 . 1 1 28 28 THR C C 28 175.800 175.800 176.090 -0.290 19452 132 1 . 1 1 28 28 THR CA C 28 65.200 65.200 64.923 0.277 19452 133 1 . 1 1 28 28 THR CB C 28 68.100 68.100 68.802 -0.702 19452 134 1 . 1 1 28 28 THR H H 28 7.010 7.010 8.511 -1.501 19452 135 1 . 1 1 29 29 SER N N 29 113.600 113.600 113.134 0.466 19452 136 1 . 1 1 29 29 SER HA H 29 4.480 4.480 4.350 0.130 19452 137 1 . 1 1 29 29 SER C C 29 174.200 174.200 175.449 -1.249 19452 138 1 . 1 1 29 29 SER CA C 29 58.500 58.500 60.291 -1.791 19452 139 1 . 1 1 29 29 SER CB C 29 63.300 63.300 63.206 0.094 19452 140 1 . 1 1 29 29 SER H H 29 8.350 8.350 8.144 0.206 19452 141 1 . 1 1 30 30 CYS N N 30 120.000 120.000 118.962 1.038 19452 142 1 . 1 1 30 30 CYS HA H 30 4.120 4.120 4.522 -0.402 19452 143 1 . 1 1 30 30 CYS C C 30 174.200 174.200 175.844 -1.644 19452 144 1 . 1 1 30 30 CYS CA C 30 69.700 69.700 58.790 10.910 19452 145 1 . 1 1 30 30 CYS CB C 30 27.800 27.800 26.926 0.874 19452 146 1 . 1 1 30 30 CYS H H 30 6.810 6.810 7.849 -1.039 19452 147 1 . 1 1 31 31 ASN N N 31 124.300 124.300 120.928 3.372 19452 148 1 . 1 1 31 31 ASN HA H 31 5.110 5.110 4.224 0.886 19452 149 1 . 1 1 31 31 ASN C C 31 174.900 174.900 176.017 -1.117 19452 150 1 . 1 1 31 31 ASN CA C 31 52.400 52.400 56.997 -4.597 19452 151 1 . 1 1 31 31 ASN CB C 31 38.500 38.500 38.339 0.161 19452 152 1 . 1 1 31 31 ASN H H 31 8.760 8.760 8.039 0.721 19452 153 1 . 1 1 32 32 ASP N N 32 119.000 119.000 116.791 2.209 19452 154 1 . 1 1 32 32 ASP HA H 32 4.560 4.560 3.859 0.701 19452 155 1 . 1 1 32 32 ASP C C 32 176.600 176.600 178.693 -2.093 19452 156 1 . 1 1 32 32 ASP CA C 32 53.500 53.500 56.657 -3.157 19452 157 1 . 1 1 32 32 ASP CB C 32 42.000 42.000 39.706 2.294 19452 158 1 . 1 1 32 32 ASP H H 32 7.720 7.720 8.708 -0.988 19452 159 1 . 1 1 33 33 ASN N N 33 115.400 115.400 117.926 -2.526 19452 160 1 . 1 1 33 33 ASN HA H 33 4.170 4.170 4.394 -0.224 19452 161 1 . 1 1 33 33 ASN C C 33 173.700 173.700 176.262 -2.562 19452 162 1 . 1 1 33 33 ASN CA C 33 54.300 54.300 55.715 -1.415 19452 163 1 . 1 1 33 33 ASN CB C 33 37.800 37.800 38.646 -0.846 19452 164 1 . 1 1 33 33 ASN H H 33 9.750 9.750 8.160 1.590 19452 165 1 . 1 1 34 34 ILE N N 34 120.700 120.700 114.879 5.821 19452 166 1 . 1 1 34 34 ILE HA H 34 4.020 4.020 4.288 -0.268 19452 167 1 . 1 1 34 34 ILE C C 34 175.500 175.500 177.096 -1.596 19452 168 1 . 1 1 34 34 ILE CA C 34 59.400 59.400 62.195 -2.795 19452 169 1 . 1 1 34 34 ILE CB C 34 37.500 37.500 39.323 -1.823 19452 170 1 . 1 1 34 34 ILE H H 34 7.850 7.850 7.607 0.243 19452 171 1 . 1 1 35 35 LEU N N 35 128.400 128.400 121.648 6.752 19452 172 1 . 1 1 35 35 LEU HA H 35 4.670 4.670 4.116 0.554 19452 173 1 . 1 1 35 35 LEU C C 35 173.700 173.700 178.397 -4.697 19452 174 1 . 1 1 35 35 LEU CA C 35 54.900 54.900 58.002 -3.102 19452 175 1 . 1 1 35 35 LEU CB C 35 42.400 42.400 41.959 0.441 19452 176 1 . 1 1 35 35 LEU H H 35 8.100 8.100 8.077 0.023 19452 177 1 . 1 1 36 36 ILE N N 36 128.800 128.800 120.823 7.977 19452 178 1 . 1 1 36 36 ILE HA H 36 5.050 5.050 3.839 1.211 19452 179 1 . 1 1 36 36 ILE C C 36 175.800 175.800 177.570 -1.770 19452 180 1 . 1 1 36 36 ILE CA C 36 59.800 59.800 64.539 -4.739 19452 181 1 . 1 1 36 36 ILE CB C 36 39.900 39.900 37.324 2.576 19452 182 1 . 1 1 36 36 ILE H H 36 9.320 9.320 7.614 1.706 19452 183 1 . 1 1 37 37 LEU N N 37 129.600 129.600 120.646 8.954 19452 184 1 . 1 1 37 37 LEU HA H 37 5.270 5.270 4.250 1.020 19452 185 1 . 1 1 37 37 LEU C C 37 175.500 175.500 176.750 -1.250 19452 186 1 . 1 1 37 37 LEU CA C 37 54.000 54.000 55.562 -1.562 19452 187 1 . 1 1 37 37 LEU CB C 37 44.800 44.800 42.204 2.596 19452 188 1 . 1 1 37 37 LEU H H 37 9.400 9.400 7.712 1.688 19452 189 1 . 1 1 38 38 VAL N N 38 120.100 120.100 123.133 -3.033 19452 190 1 . 1 1 38 38 VAL HA H 38 4.590 4.590 3.942 0.648 19452 191 1 . 1 1 38 38 VAL C C 38 174.000 174.000 175.489 -1.489 19452 192 1 . 1 1 38 38 VAL CA C 38 61.100 61.100 63.546 -2.446 19452 193 1 . 1 1 38 38 VAL CB C 38 33.500 33.500 31.225 2.275 19452 194 1 . 1 1 38 38 VAL H H 38 9.440 9.440 7.519 1.921 19452 195 1 . 1 1 39 39 ASP N N 39 125.600 125.600 126.049 -0.449 19452 196 1 . 1 1 39 39 ASP HA H 39 5.170 5.170 4.722 0.448 19452 197 1 . 1 1 39 39 ASP CA C 39 51.900 51.900 54.245 -2.345 19452 198 1 . 1 1 39 39 ASP CB C 39 38.800 38.800 41.050 -2.249 19452 199 1 . 1 1 39 39 ASP H H 39 9.240 9.240 8.486 0.754 19452 200 1 . 1 1 40 40 PHE N N 40 119.600 119.600 119.410 0.190 19452 201 1 . 1 1 40 40 PHE H H 40 8.860 8.860 7.878 0.982 19452 202 1 . 1 1 53 53 PRO HA H 53 4.410 4.410 4.395 0.015 19452 203 1 . 1 1 53 53 PRO CA C 53 65.500 65.500 63.010 2.490 19452 204 1 . 1 1 53 53 PRO CB C 53 30.800 30.800 32.482 -1.682 19452 205 1 . 1 1 54 54 GLN N N 54 115.300 115.300 121.820 -6.520 19452 206 1 . 1 1 54 54 GLN HA H 54 4.200 4.200 4.410 -0.210 19452 207 1 . 1 1 54 54 GLN C C 54 179.400 179.400 174.067 5.333 19452 208 1 . 1 1 54 54 GLN CA C 54 58.000 58.000 55.629 2.371 19452 209 1 . 1 1 54 54 GLN H H 54 7.080 7.080 8.184 -1.103 19452 210 1 . 1 1 55 55 LEU HA H 55 3.990 3.990 4.427 -0.437 19452 211 1 . 1 1 55 55 LEU C C 55 178.700 178.700 176.266 2.434 19452 212 1 . 1 1 55 55 LEU CA C 55 57.300 57.300 55.267 2.033 19452 213 1 . 1 1 55 55 LEU CB C 55 41.300 41.300 42.529 -1.229 19452 214 1 . 1 1 56 56 GLU N N 56 118.900 118.900 118.456 0.445 19452 215 1 . 1 1 56 56 GLU HA H 56 3.840 3.840 4.456 -0.616 19452 216 1 . 1 1 56 56 GLU C C 56 179.100 179.100 176.248 2.852 19452 217 1 . 1 1 56 56 GLU CA C 56 59.500 59.500 55.984 3.516 19452 218 1 . 1 1 56 56 GLU CB C 56 29.000 29.000 30.930 -1.930 19452 219 1 . 1 1 56 56 GLU H H 56 8.150 8.150 8.157 -0.007 19452 220 1 . 1 1 57 57 LYS N N 57 117.000 117.000 121.811 -4.811 19452 221 1 . 1 1 57 57 LYS HA H 57 4.070 4.070 4.368 -0.298 19452 222 1 . 1 1 57 57 LYS C C 57 179.800 179.800 175.928 3.872 19452 223 1 . 1 1 57 57 LYS CA C 57 59.000 59.000 56.671 2.329 19452 224 1 . 1 1 57 57 LYS CB C 57 31.900 31.900 32.701 -0.801 19452 225 1 . 1 1 57 57 LYS H H 57 7.160 7.160 8.298 -1.138 19452 226 1 . 1 1 58 58 LEU N N 58 119.900 119.900 121.386 -1.486 19452 227 1 . 1 1 58 58 LEU HA H 58 4.200 4.200 4.316 -0.116 19452 228 1 . 1 1 58 58 LEU C C 58 178.700 178.700 176.349 2.351 19452 229 1 . 1 1 58 58 LEU CA C 58 57.700 57.700 55.152 2.548 19452 230 1 . 1 1 58 58 LEU CB C 58 41.700 41.700 42.390 -0.690 19452 231 1 . 1 1 58 58 LEU H H 58 7.650 7.650 8.160 -0.510 19452 232 1 . 1 1 59 59 ALA N N 59 120.700 120.700 124.361 -3.661 19452 233 1 . 1 1 59 59 ALA HA H 59 3.860 3.860 4.415 -0.555 19452 234 1 . 1 1 59 59 ALA C C 59 180.000 180.000 176.865 3.135 19452 235 1 . 1 1 59 59 ALA CA C 59 54.600 54.600 52.376 2.224 19452 236 1 . 1 1 59 59 ALA CB C 59 18.000 18.000 19.693 -1.693 19452 237 1 . 1 1 59 59 ALA H H 59 8.440 8.440 8.110 0.330 19452 238 1 . 1 1 60 60 GLN N N 60 113.100 113.100 118.132 -5.032 19452 239 1 . 1 1 60 60 GLN HA H 60 4.060 4.060 4.468 -0.408 19452 240 1 . 1 1 60 60 GLN C C 60 177.800 177.800 174.679 3.121 19452 241 1 . 1 1 60 60 GLN CA C 60 57.500 57.500 54.428 3.072 19452 242 1 . 1 1 60 60 GLN CB C 60 28.800 28.800 27.847 0.953 19452 243 1 . 1 1 60 60 GLN H H 60 7.340 7.340 8.316 -0.976 19452 244 1 . 1 1 61 61 GLN HA H 61 4.030 4.030 4.278 -0.248 19452 245 1 . 1 1 61 61 GLN C C 61 177.300 177.300 176.676 0.624 19452 246 1 . 1 1 61 61 GLN CA C 61 57.800 57.800 57.160 0.640 19452 247 1 . 1 1 61 61 GLN CB C 61 29.000 29.000 29.114 -0.114 19452 248 1 . 1 1 62 62 TYR N N 62 117.300 117.300 118.709 -1.409 19452 249 1 . 1 1 62 62 TYR HA H 62 4.980 4.980 4.288 0.692 19452 250 1 . 1 1 62 62 TYR C C 62 175.800 175.800 178.301 -2.501 19452 251 1 . 1 1 62 62 TYR CA C 62 57.100 57.100 61.559 -4.459 19452 252 1 . 1 1 62 62 TYR CB C 62 37.900 37.900 37.565 0.335 19452 253 1 . 1 1 62 62 TYR H H 62 7.950 7.950 8.705 -0.755 19452 254 1 . 1 1 63 63 THR N N 63 111.900 111.900 112.258 -0.358 19452 255 1 . 1 1 63 63 THR HA H 63 4.190 4.190 4.023 0.167 19452 256 1 . 1 1 63 63 THR C C 63 175.700 175.700 176.870 -1.170 19452 257 1 . 1 1 63 63 THR CA C 63 64.600 64.600 65.543 -0.943 19452 258 1 . 1 1 63 63 THR CB C 63 69.200 69.200 68.068 1.132 19452 259 1 . 1 1 63 63 THR H H 63 7.110 7.110 7.585 -0.475 19452 260 1 . 1 1 64 64 GLU N N 64 117.500 117.500 118.757 -1.257 19452 261 1 . 1 1 64 64 GLU HA H 64 4.300 4.300 3.977 0.323 19452 262 1 . 1 1 64 64 GLU C C 64 177.400 177.400 178.990 -1.590 19452 263 1 . 1 1 64 64 GLU CA C 64 58.000 58.000 59.402 -1.402 19452 264 1 . 1 1 64 64 GLU CB C 64 30.100 30.100 29.179 0.921 19452 265 1 . 1 1 64 64 GLU H H 64 8.610 8.610 7.854 0.756 19452 266 1 . 1 1 65 65 ASN N N 65 113.300 113.300 118.620 -5.320 19452 267 1 . 1 1 65 65 ASN HA H 65 4.990 4.990 4.440 0.550 19452 268 1 . 1 1 65 65 ASN C C 65 173.600 173.600 178.216 -4.616 19452 269 1 . 1 1 65 65 ASN CA C 65 54.000 54.000 55.999 -1.999 19452 270 1 . 1 1 65 65 ASN CB C 65 41.100 41.100 38.307 2.793 19452 271 1 . 1 1 65 65 ASN H H 65 8.050 8.050 8.224 -0.174 19452 272 1 . 1 1 66 66 VAL N N 66 119.200 119.200 117.478 1.722 19452 273 1 . 1 1 66 66 VAL HA H 66 5.540 5.540 3.915 1.625 19452 274 1 . 1 1 66 66 VAL C C 66 174.900 174.900 178.011 -3.111 19452 275 1 . 1 1 66 66 VAL CA C 66 59.900 59.900 64.237 -4.337 19452 276 1 . 1 1 66 66 VAL CB C 66 35.700 35.700 30.823 4.877 19452 277 1 . 1 1 66 66 VAL H H 66 7.890 7.890 8.056 -0.166 19452 278 1 . 1 1 67 67 LYS N N 67 127.600 127.600 119.688 7.912 19452 279 1 . 1 1 67 67 LYS HA H 67 4.560 4.560 3.877 0.683 19452 280 1 . 1 1 67 67 LYS C C 67 173.600 173.600 178.482 -4.882 19452 281 1 . 1 1 67 67 LYS CA C 67 54.100 54.100 59.461 -5.361 19452 282 1 . 1 1 67 67 LYS CB C 67 36.200 36.200 31.720 4.480 19452 283 1 . 1 1 67 67 LYS H H 67 8.700 8.700 8.235 0.465 19452 284 1 . 1 1 68 68 ILE N N 68 123.200 123.200 116.140 7.060 19452 285 1 . 1 1 68 68 ILE HA H 68 4.580 4.580 3.870 0.710 19452 286 1 . 1 1 68 68 ILE C C 68 173.900 173.900 179.123 -5.223 19452 287 1 . 1 1 68 68 ILE CA C 68 60.500 60.500 63.581 -3.082 19452 288 1 . 1 1 68 68 ILE CB C 68 38.500 38.500 37.981 0.519 19452 289 1 . 1 1 68 68 ILE H H 68 8.770 8.770 7.626 1.144 19452 290 1 . 1 1 69 69 TYR N N 69 124.400 124.400 118.793 5.607 19452 291 1 . 1 1 69 69 TYR HA H 69 5.660 5.660 4.219 1.441 19452 292 1 . 1 1 69 69 TYR CA C 69 55.600 55.600 60.288 -4.689 19452 293 1 . 1 1 69 69 TYR CB C 69 43.400 43.400 38.841 4.559 19452 294 1 . 1 1 69 69 TYR H H 69 9.060 9.060 7.549 1.511 19452 295 1 . 1 1 73 73 ILE C C 73 177.400 177.400 173.856 3.544 19452 296 1 . 1 1 73 73 ILE CA C 73 62.600 62.600 61.094 1.506 19452 297 1 . 1 1 74 74 GLU N N 74 121.800 121.800 119.483 2.317 19452 298 1 . 1 1 74 74 GLU HA H 74 4.280 4.280 4.786 -0.506 19452 299 1 . 1 1 74 74 GLU C C 74 177.800 177.800 174.593 3.207 19452 300 1 . 1 1 74 74 GLU CA C 74 58.900 58.900 55.064 3.836 19452 301 1 . 1 1 74 74 GLU CB C 74 29.700 29.700 33.067 -3.367 19452 302 1 . 1 1 74 74 GLU H H 74 8.560 8.560 7.838 0.722 19452 303 1 . 1 1 75 75 ASP N N 75 114.200 114.200 124.501 -10.301 19452 304 1 . 1 1 75 75 ASP C C 75 175.800 175.800 174.071 1.729 19452 305 1 . 1 1 75 75 ASP CA C 75 54.000 54.000 51.578 2.422 19452 306 1 . 1 1 75 75 ASP CB C 75 42.800 42.800 45.303 -2.503 19452 307 1 . 1 1 75 75 ASP H H 75 6.840 6.840 8.887 -2.047 19452 308 1 . 1 1 76 76 ASN N N 76 118.400 118.400 118.282 0.118 19452 309 1 . 1 1 76 76 ASN HA H 76 5.020 5.020 5.407 -0.387 19452 310 1 . 1 1 76 76 ASN C C 76 174.000 174.000 173.422 0.578 19452 311 1 . 1 1 76 76 ASN CA C 76 53.700 53.700 52.218 1.482 19452 312 1 . 1 1 76 76 ASN CB C 76 41.600 41.600 42.234 -0.634 19452 313 1 . 1 1 76 76 ASN H H 76 7.600 7.600 8.250 -0.650 19452 314 1 . 1 1 77 77 GLN N N 77 122.000 122.000 123.666 -1.666 19452 315 1 . 1 1 77 77 GLN HA H 77 4.740 4.740 4.944 -0.204 19452 316 1 . 1 1 77 77 GLN C C 77 177.800 177.800 174.240 3.560 19452 317 1 . 1 1 77 77 GLN CA C 77 56.400 56.400 53.981 2.419 19452 318 1 . 1 1 77 77 GLN CB C 77 30.600 30.600 33.425 -2.825 19452 319 1 . 1 1 77 77 GLN H H 77 9.040 9.040 8.998 0.042 19452 320 1 . 1 1 78 78 ASP N N 78 125.900 125.900 118.271 7.629 19452 321 1 . 1 1 78 78 ASP HA H 78 4.410 4.410 5.588 -1.178 19452 322 1 . 1 1 78 78 ASP C C 78 178.900 178.900 174.756 4.144 19452 323 1 . 1 1 78 78 ASP CA C 78 58.700 58.700 51.705 6.994 19452 324 1 . 1 1 78 78 ASP CB C 78 40.000 40.000 44.803 -4.803 19452 325 1 . 1 1 78 78 ASP H H 78 10.210 10.210 8.827 1.383 19452 326 1 . 1 1 79 79 VAL N N 79 123.800 123.800 117.785 6.015 19452 327 1 . 1 1 79 79 VAL HA H 79 3.490 3.490 4.514 -1.024 19452 328 1 . 1 1 79 79 VAL C C 79 178.400 178.400 175.578 2.822 19452 329 1 . 1 1 79 79 VAL CA C 79 66.500 66.500 60.485 6.015 19452 330 1 . 1 1 79 79 VAL CB C 79 30.500 30.500 33.784 -3.284 19452 331 1 . 1 1 79 79 VAL H H 79 8.130 8.130 8.479 -0.349 19452 332 1 . 1 1 80 80 ALA N N 80 121.800 121.800 127.630 -5.830 19452 333 1 . 1 1 80 80 ALA HA H 80 3.510 3.510 4.310 -0.800 19452 334 1 . 1 1 80 80 ALA C C 80 179.600 179.600 177.061 2.539 19452 335 1 . 1 1 80 80 ALA CA C 80 54.900 54.900 52.825 2.075 19452 336 1 . 1 1 80 80 ALA CB C 80 17.300 17.300 19.479 -2.179 19452 337 1 . 1 1 80 80 ALA H H 80 9.250 9.250 8.303 0.947 19452 338 1 . 1 1 81 81 THR N N 81 113.200 113.200 114.262 -1.061 19452 339 1 . 1 1 81 81 THR HA H 81 3.960 3.960 4.418 -0.458 19452 340 1 . 1 1 81 81 THR C C 81 177.700 177.700 174.263 3.437 19452 341 1 . 1 1 81 81 THR CA C 81 66.400 66.400 60.991 5.409 19452 342 1 . 1 1 81 81 THR CB C 81 68.500 68.500 69.542 -1.042 19452 343 1 . 1 1 81 81 THR H H 81 7.990 7.990 7.967 0.023 19452 344 1 . 1 1 82 82 GLN N N 82 123.800 123.800 123.824 -0.024 19452 345 1 . 1 1 82 82 GLN HA H 82 3.850 3.850 4.056 -0.206 19452 346 1 . 1 1 82 82 GLN C C 82 177.900 177.900 175.996 1.904 19452 347 1 . 1 1 82 82 GLN CA C 82 58.900 58.900 57.635 1.265 19452 348 1 . 1 1 82 82 GLN CB C 82 28.000 28.000 29.001 -1.001 19452 349 1 . 1 1 82 82 GLN H H 82 8.170 8.170 8.509 -0.339 19452 350 1 . 1 1 83 83 TYR N N 83 112.900 112.900 116.331 -3.430 19452 351 1 . 1 1 83 83 TYR HA H 83 4.430 4.430 4.539 -0.109 19452 352 1 . 1 1 83 83 TYR C C 83 175.300 175.300 175.498 -0.198 19452 353 1 . 1 1 83 83 TYR CA C 83 59.000 59.000 58.676 0.324 19452 354 1 . 1 1 83 83 TYR CB C 83 38.500 38.500 38.907 -0.407 19452 355 1 . 1 1 83 83 TYR H H 83 7.780 7.780 8.154 -0.374 19452 356 1 . 1 1 84 84 GLY N N 84 110.200 110.200 108.316 1.884 19452 357 1 . 1 1 84 84 GLY C C 84 175.300 175.300 172.970 2.330 19452 358 1 . 1 1 84 84 GLY CA C 84 47.100 47.100 45.072 2.028 19452 359 1 . 1 1 84 84 GLY H H 84 7.670 7.670 7.921 -0.251 19452 360 1 . 1 1 85 85 VAL N N 85 121.300 121.300 120.613 0.687 19452 361 1 . 1 1 85 85 VAL HA H 85 3.870 3.870 4.350 -0.480 19452 362 1 . 1 1 85 85 VAL CA C 85 63.000 63.000 61.564 1.436 19452 363 1 . 1 1 85 85 VAL CB C 85 30.500 30.500 33.894 -3.394 19452 364 1 . 1 1 85 85 VAL H H 85 8.500 8.500 8.029 0.471 19452 365 1 . 1 1 90 90 THR HA H 90 5.170 5.170 3.986 1.184 19452 366 1 . 1 1 90 90 THR C C 90 172.300 172.300 176.509 -4.209 19452 367 1 . 1 1 90 90 THR CA C 90 63.500 63.500 64.557 -1.057 19452 368 1 . 1 1 90 90 THR CB C 90 73.300 73.300 68.443 4.857 19452 369 1 . 1 1 91 91 ILE N N 91 126.600 126.600 116.598 10.002 19452 370 1 . 1 1 91 91 ILE HA H 91 5.590 5.590 4.092 1.498 19452 371 1 . 1 1 91 91 ILE C C 91 175.900 175.900 176.714 -0.814 19452 372 1 . 1 1 91 91 ILE CA C 91 58.400 58.400 61.273 -2.873 19452 373 1 . 1 1 91 91 ILE CB C 91 40.000 40.000 38.192 1.808 19452 374 1 . 1 1 91 91 ILE H H 91 9.340 9.340 7.560 1.780 19452 375 1 . 1 1 92 92 LEU N N 92 125.700 125.700 119.084 6.616 19452 376 1 . 1 1 92 92 LEU HA H 92 5.120 5.120 3.985 1.135 19452 377 1 . 1 1 92 92 LEU C C 92 176.100 176.100 176.137 -0.037 19452 378 1 . 1 1 92 92 LEU CA C 92 53.100 53.100 54.868 -1.768 19452 379 1 . 1 1 92 92 LEU H H 92 9.120 9.120 7.641 1.479 19452 380 1 . 1 1 93 93 MET N N 93 117.700 117.700 119.453 -1.753 19452 381 1 . 1 1 93 93 MET HA H 93 5.860 5.860 4.679 1.181 19452 382 1 . 1 1 93 93 MET C C 93 174.400 174.400 175.690 -1.290 19452 383 1 . 1 1 93 93 MET CA C 93 54.400 54.400 54.117 0.283 19452 384 1 . 1 1 93 93 MET CB C 93 34.100 34.100 33.381 0.719 19452 385 1 . 1 1 93 93 MET H H 93 8.080 8.080 8.158 -0.078 19452 386 1 . 1 1 94 94 PHE N N 94 123.300 123.300 124.707 -1.407 19452 387 1 . 1 1 94 94 PHE HA H 94 5.570 5.570 4.352 1.218 19452 388 1 . 1 1 94 94 PHE C C 94 174.800 174.800 175.985 -1.185 19452 389 1 . 1 1 94 94 PHE CA C 94 55.900 55.900 58.478 -2.578 19452 390 1 . 1 1 94 94 PHE CB C 94 44.800 44.800 39.537 5.263 19452 391 1 . 1 1 94 94 PHE H H 94 9.990 9.990 8.293 1.697 19452 392 1 . 1 1 95 95 LYS N N 95 117.100 117.100 121.031 -3.931 19452 393 1 . 1 1 95 95 LYS C C 95 176.500 176.500 175.603 0.897 19452 394 1 . 1 1 95 95 LYS CA C 95 57.500 57.500 56.614 0.886 19452 395 1 . 1 1 95 95 LYS CB C 95 37.200 37.200 32.097 5.104 19452 396 1 . 1 1 95 95 LYS H H 95 8.630 8.630 8.218 0.412 19452 397 1 . 1 1 96 96 ASN N N 96 130.400 130.400 115.300 15.100 19452 398 1 . 1 1 96 96 ASN HA H 96 4.820 4.820 4.764 0.056 19452 399 1 . 1 1 96 96 ASN C C 96 175.900 175.900 173.139 2.761 19452 400 1 . 1 1 96 96 ASN CA C 96 54.500 54.500 51.067 3.433 19452 401 1 . 1 1 96 96 ASN CB C 96 36.900 36.900 39.355 -2.455 19452 402 1 . 1 1 96 96 ASN H H 96 10.190 10.190 7.990 2.200 19452 403 1 . 1 1 97 97 GLY C C 97 173.700 173.700 173.560 0.140 19452 404 1 . 1 1 97 97 GLY CA C 97 46.000 46.000 44.828 1.172 19452 405 1 . 1 1 98 98 LYS N N 98 120.300 120.300 122.482 -2.182 19452 406 1 . 1 1 98 98 LYS HA H 98 4.740 4.740 4.590 0.150 19452 407 1 . 1 1 98 98 LYS C C 98 175.500 175.500 175.060 0.440 19452 408 1 . 1 1 98 98 LYS CA C 98 54.700 54.700 55.745 -1.045 19452 409 1 . 1 1 98 98 LYS CB C 98 34.200 34.200 36.136 -1.937 19452 410 1 . 1 1 98 98 LYS H H 98 7.840 7.840 8.018 -0.178 19452 411 1 . 1 1 99 99 LYS N N 99 124.900 124.900 123.078 1.822 19452 412 1 . 1 1 99 99 LYS HA H 99 3.610 3.610 5.033 -1.423 19452 413 1 . 1 1 99 99 LYS C C 99 176.300 176.300 174.901 1.399 19452 414 1 . 1 1 99 99 LYS CA C 99 56.600 56.600 54.895 1.705 19452 415 1 . 1 1 99 99 LYS CB C 99 31.500 31.500 35.193 -3.694 19452 416 1 . 1 1 99 99 LYS H H 99 8.880 8.880 8.812 0.068 19452 417 1 . 1 1 100 100 LEU N N 100 128.800 128.800 125.521 3.279 19452 418 1 . 1 1 100 100 LEU HA H 100 4.440 4.440 4.616 -0.176 19452 419 1 . 1 1 100 100 LEU C C 100 177.400 177.400 175.375 2.025 19452 420 1 . 1 1 100 100 LEU CA C 100 55.300 55.300 53.581 1.719 19452 421 1 . 1 1 100 100 LEU CB C 100 44.100 44.100 45.284 -1.184 19452 422 1 . 1 1 100 100 LEU H H 100 9.320 9.320 8.612 0.708 19452 423 1 . 1 1 101 101 SER N N 101 109.000 109.000 117.361 -8.361 19452 424 1 . 1 1 101 101 SER HA H 101 4.550 4.550 4.981 -0.431 19452 425 1 . 1 1 101 101 SER C C 101 172.400 172.400 173.353 -0.953 19452 426 1 . 1 1 101 101 SER CA C 101 57.200 57.200 57.911 -0.711 19452 427 1 . 1 1 101 101 SER CB C 101 64.400 64.400 64.010 0.390 19452 428 1 . 1 1 101 101 SER H H 101 7.260 7.260 8.649 -1.389 19452 429 1 . 1 1 102 102 GLN N N 102 119.900 119.900 123.585 -3.685 19452 430 1 . 1 1 102 102 GLN HA H 102 5.220 5.220 5.502 -0.282 19452 431 1 . 1 1 102 102 GLN C C 102 173.800 173.800 174.871 -1.071 19452 432 1 . 1 1 102 102 GLN CA C 102 54.400 54.400 53.642 0.758 19452 433 1 . 1 1 102 102 GLN CB C 102 31.800 31.800 32.988 -1.188 19452 434 1 . 1 1 102 102 GLN H H 102 8.230 8.230 8.994 -0.764 19452 435 1 . 1 1 103 103 VAL N N 103 123.800 123.800 120.488 3.312 19452 436 1 . 1 1 103 103 VAL HA H 103 4.330 4.330 4.396 -0.066 19452 437 1 . 1 1 103 103 VAL C C 103 174.600 174.600 175.346 -0.746 19452 438 1 . 1 1 103 103 VAL CA C 103 61.700 61.700 62.400 -0.700 19452 439 1 . 1 1 103 103 VAL CB C 103 34.600 34.600 34.898 -0.298 19452 440 1 . 1 1 103 103 VAL H H 103 9.310 9.310 9.086 0.224 19452 441 1 . 1 1 104 104 ILE N N 104 129.400 129.400 127.323 2.077 19452 442 1 . 1 1 104 104 ILE C C 104 176.400 176.400 175.912 0.488 19452 443 1 . 1 1 104 104 ILE CA C 104 61.500 61.500 62.577 -1.077 19452 444 1 . 1 1 104 104 ILE CB C 104 38.700 38.700 37.067 1.633 19452 445 1 . 1 1 104 104 ILE H H 104 8.970 8.970 8.974 -0.004 19452 446 1 . 1 1 105 105 GLY N N 105 115.400 115.400 102.865 12.535 19452 447 1 . 1 1 105 105 GLY C C 105 172.700 172.700 173.611 -0.911 19452 448 1 . 1 1 105 105 GLY CA C 105 43.700 43.700 45.340 -1.640 19452 449 1 . 1 1 105 105 GLY H H 105 8.500 8.500 8.543 -0.043 19452 450 1 . 1 1 106 106 ALA N N 106 120.200 120.200 121.944 -1.744 19452 451 1 . 1 1 106 106 ALA HA H 106 4.380 4.380 4.703 -0.323 19452 452 1 . 1 1 106 106 ALA C C 106 176.300 176.300 175.869 0.431 19452 453 1 . 1 1 106 106 ALA CA C 106 50.500 50.500 50.411 0.089 19452 454 1 . 1 1 106 106 ALA CB C 106 18.400 18.400 22.509 -4.109 19452 455 1 . 1 1 106 106 ALA H H 106 8.360 8.360 7.819 0.541 19452 456 1 . 1 1 107 107 ASP N N 107 121.100 121.100 122.861 -1.761 19452 457 1 . 1 1 107 107 ASP HA H 107 4.770 4.770 5.265 -0.495 19452 458 1 . 1 1 107 107 ASP C C 107 176.600 176.600 175.599 1.001 19452 459 1 . 1 1 107 107 ASP CA C 107 52.600 52.600 53.939 -1.339 19452 460 1 . 1 1 107 107 ASP CB C 107 40.600 40.600 41.656 -1.056 19452 461 1 . 1 1 107 107 ASP H H 107 7.610 7.610 8.673 -1.063 19452 462 1 . 1 1 108 108 ILE N N 108 125.700 125.700 122.018 3.682 19452 463 1 . 1 1 108 108 ILE HA H 108 4.010 4.010 4.412 -0.402 19452 464 1 . 1 1 108 108 ILE C C 108 176.400 176.400 175.846 0.554 19452 465 1 . 1 1 108 108 ILE CA C 108 60.700 60.700 61.001 -0.301 19452 466 1 . 1 1 108 108 ILE CB C 108 38.300 38.300 38.438 -0.138 19452 467 1 . 1 1 108 108 ILE H H 108 8.550 8.550 8.458 0.092 19452 468 1 . 1 1 109 109 SER N N 109 117.700 117.700 110.820 6.880 19452 469 1 . 1 1 109 109 SER HA H 109 4.180 4.180 4.561 -0.381 19452 470 1 . 1 1 109 109 SER C C 109 177.300 177.300 171.908 5.392 19452 471 1 . 1 1 109 109 SER CA C 109 61.700 61.700 58.139 3.561 19452 472 1 . 1 1 109 109 SER CB C 109 62.100 62.100 65.329 -3.229 19452 473 1 . 1 1 109 109 SER H H 109 8.330 8.330 7.448 0.882 19452 474 1 . 1 1 110 110 LYS N N 110 123.200 123.200 120.440 2.760 19452 475 1 . 1 1 110 110 LYS HA H 110 4.220 4.220 4.810 -0.590 19452 476 1 . 1 1 110 110 LYS CA C 110 58.100 58.100 55.201 2.899 19452 477 1 . 1 1 110 110 LYS CB C 110 32.300 32.300 34.554 -2.254 19452 478 1 . 1 1 110 110 LYS H H 110 7.480 7.480 8.475 -0.995 19452 479 1 . 1 1 111 111 ILE N N 111 119.300 119.300 124.979 -5.679 19452 480 1 . 1 1 111 111 ILE HA H 111 4.030 4.030 4.284 -0.254 19452 481 1 . 1 1 111 111 ILE C C 111 177.200 177.200 174.682 2.518 19452 482 1 . 1 1 111 111 ILE CA C 111 61.100 61.100 60.882 0.218 19452 483 1 . 1 1 111 111 ILE CB C 111 37.800 37.800 39.871 -2.071 19452 484 1 . 1 1 111 111 ILE H H 111 7.640 7.640 8.221 -0.581 19452 485 1 . 1 1 112 112 ILE N N 112 118.700 118.700 125.991 -7.291 19452 486 1 . 1 1 112 112 ILE HA H 112 3.430 3.430 4.325 -0.895 19452 487 1 . 1 1 112 112 ILE C C 112 177.700 177.700 176.033 1.667 19452 488 1 . 1 1 112 112 ILE CA C 112 66.100 66.100 60.739 5.361 19452 489 1 . 1 1 112 112 ILE CB C 112 38.500 38.500 38.576 -0.076 19452 490 1 . 1 1 112 112 ILE H H 112 8.410 8.410 8.430 -0.020 19452 491 1 . 1 1 113 113 SER N N 113 113.800 113.800 122.609 -8.809 19452 492 1 . 1 1 113 113 SER HA H 113 4.200 4.200 4.311 -0.111 19452 493 1 . 1 1 113 113 SER C C 113 177.200 177.200 172.640 4.560 19452 494 1 . 1 1 113 113 SER CA C 113 62.000 62.000 57.570 4.430 19452 495 1 . 1 1 113 113 SER H H 113 7.920 7.920 8.386 -0.466 19452 496 1 . 1 1 114 114 GLU N N 114 119.400 119.400 121.641 -2.241 19452 497 1 . 1 1 114 114 GLU HA H 114 4.150 4.150 4.649 -0.499 19452 498 1 . 1 1 114 114 GLU C C 114 179.900 179.900 175.058 4.842 19452 499 1 . 1 1 114 114 GLU CA C 114 58.500 58.500 55.954 2.545 19452 500 1 . 1 1 114 114 GLU CB C 114 27.300 27.300 30.257 -2.957 19452 501 1 . 1 1 114 114 GLU H H 114 8.010 8.010 8.490 -0.480 19452 502 1 . 1 1 115 115 ILE N N 115 121.700 121.700 124.613 -2.913 19452 503 1 . 1 1 115 115 ILE HA H 115 3.380 3.380 4.390 -1.010 19452 504 1 . 1 1 115 115 ILE C C 115 178.100 178.100 175.475 2.625 19452 505 1 . 1 1 115 115 ILE CA C 115 66.000 66.000 60.970 5.030 19452 506 1 . 1 1 115 115 ILE CB C 115 37.700 37.700 39.909 -2.209 19452 507 1 . 1 1 115 115 ILE H H 115 8.370 8.370 8.071 0.299 19452 508 1 . 1 1 116 116 ASN N N 116 116.100 116.100 123.998 -7.898 19452 509 1 . 1 1 116 116 ASN HA H 116 4.330 4.330 4.371 -0.041 19452 510 1 . 1 1 116 116 ASN C C 116 177.900 177.900 176.011 1.889 19452 511 1 . 1 1 116 116 ASN CA C 116 55.900 55.900 55.196 0.704 19452 512 1 . 1 1 116 116 ASN CB C 116 37.600 37.600 38.985 -1.385 19452 513 1 . 1 1 116 116 ASN H H 116 8.230 8.230 8.692 -0.462 19452 514 1 . 1 1 117 117 ASN N N 117 115.400 115.400 116.371 -0.971 19452 515 1 . 1 1 117 117 ASN HA H 117 4.630 4.630 4.424 0.206 19452 516 1 . 1 1 117 117 ASN C C 117 176.200 176.200 177.283 -1.083 19452 517 1 . 1 1 117 117 ASN CA C 117 54.300 54.300 55.999 -1.699 19452 518 1 . 1 1 117 117 ASN CB C 117 39.100 39.100 37.986 1.114 19452 519 1 . 1 1 117 117 ASN H H 117 7.930 7.930 8.391 -0.461 19452 520 1 . 1 1 118 118 ASN N N 118 115.400 115.400 121.157 -5.757 19452 521 1 . 1 1 118 118 ASN HA H 118 5.010 5.010 4.636 0.374 19452 522 1 . 1 1 118 118 ASN C C 118 174.400 174.400 177.292 -2.892 19452 523 1 . 1 1 118 118 ASN CA C 118 54.200 54.200 55.113 -0.913 19452 524 1 . 1 1 118 118 ASN CB C 118 42.200 42.200 38.458 3.742 19452 525 1 . 1 1 118 118 ASN H H 118 7.710 7.710 7.714 -0.004 19452 526 1 . 1 1 119 119 ILE N N 119 117.300 117.300 117.989 -0.689 19452 527 1 . 1 1 119 119 ILE HA H 119 4.320 4.320 3.759 0.561 19452 528 1 . 1 1 119 119 ILE C C 119 174.900 174.900 177.869 -2.969 19452 529 1 . 1 1 119 119 ILE CA C 119 62.200 62.200 64.848 -2.648 19452 530 1 . 1 1 119 119 ILE CB C 119 39.200 39.200 37.481 1.719 19452 531 1 . 1 1 119 119 ILE H H 119 7.520 7.520 8.045 -0.525 19452 532 1 . 1 1 120 120 ASN N N 120 124.900 124.900 114.420 10.480 19452 533 1 . 1 1 120 120 ASN HA H 120 4.510 4.510 4.545 -0.035 19452 534 1 . 1 1 120 120 ASN CA C 120 55.000 55.000 56.023 -1.023 19452 535 1 . 1 1 120 120 ASN CB C 120 40.200 40.200 37.857 2.343 19452 536 1 . 1 1 120 120 ASN H H 120 7.960 7.960 8.092 -0.132 19452 stop_ save_