data_25493 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25493 _Entry.PDB_ID 2MZO 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 25493 _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 7 7 ALA N N 7 123.700 123.700 122.644 1.056 25493 2 1 1 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.428 -0.008 25493 3 1 1 . 1 1 7 7 ALA C C 7 176.700 176.700 175.379 1.321 25493 4 1 1 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.734 -0.134 25493 5 1 1 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.978 -1.078 25493 6 1 1 . 1 1 7 7 ALA H H 7 8.040 8.040 7.920 0.120 25493 7 1 1 . 1 1 8 8 SER N N 8 117.100 117.100 116.476 0.624 25493 8 1 1 . 1 1 8 8 SER HA H 8 4.750 4.750 4.251 0.499 25493 9 1 1 . 1 1 8 8 SER CA C 8 56.000 56.000 56.760 -0.759 25493 10 1 1 . 1 1 8 8 SER CB C 8 63.300 63.300 63.326 -0.026 25493 11 1 1 . 1 1 8 8 SER H H 8 8.430 8.430 8.268 0.162 25493 12 1 1 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.889 0.051 25493 13 1 1 . 1 1 9 9 PRO C C 9 177.400 177.400 178.353 -0.953 25493 14 1 1 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.490 0.310 25493 15 1 1 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.694 0.306 25493 16 1 1 . 1 1 10 10 GLN N N 10 116.000 116.000 115.967 0.033 25493 17 1 1 . 1 1 10 10 GLN HA H 10 3.660 3.660 3.980 -0.320 25493 18 1 1 . 1 1 10 10 GLN C C 10 177.500 177.500 178.401 -0.901 25493 19 1 1 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.437 0.863 25493 20 1 1 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.877 -0.377 25493 21 1 1 . 1 1 10 10 GLN H H 10 8.350 8.350 8.535 -0.185 25493 22 1 1 . 1 1 11 11 GLN N N 11 119.200 119.200 119.278 -0.078 25493 23 1 1 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.098 -0.018 25493 24 1 1 . 1 1 11 11 GLN C C 11 179.600 179.600 178.283 1.317 25493 25 1 1 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.300 0.600 25493 26 1 1 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.165 0.435 25493 27 1 1 . 1 1 11 11 GLN H H 11 7.680 7.680 7.703 -0.023 25493 28 1 1 . 1 1 12 12 ILE N N 12 121.300 121.300 115.073 6.227 25493 29 1 1 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.841 -0.311 25493 30 1 1 . 1 1 12 12 ILE C C 12 177.200 177.200 177.141 0.059 25493 31 1 1 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.772 1.528 25493 32 1 1 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.166 0.234 25493 33 1 1 . 1 1 12 12 ILE H H 12 8.190 8.190 8.203 -0.013 25493 34 1 1 . 1 1 13 13 ARG N N 13 120.200 120.200 121.982 -1.782 25493 35 1 1 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.883 -0.143 25493 36 1 1 . 1 1 13 13 ARG C C 13 177.700 177.700 177.922 -0.222 25493 37 1 1 . 1 1 13 13 ARG CA C 13 60.300 60.300 60.042 0.258 25493 38 1 1 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.985 -1.785 25493 39 1 1 . 1 1 13 13 ARG H H 13 8.320 8.320 7.865 0.455 25493 40 1 1 . 1 1 14 14 ASP N N 14 119.200 119.200 117.252 1.948 25493 41 1 1 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.526 -0.196 25493 42 1 1 . 1 1 14 14 ASP C C 14 178.800 178.800 176.756 2.044 25493 43 1 1 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.907 2.093 25493 44 1 1 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.614 -1.014 25493 45 1 1 . 1 1 14 14 ASP H H 14 8.280 8.280 8.028 0.252 25493 46 1 1 . 1 1 15 15 ARG N N 15 120.400 120.400 117.833 2.567 25493 47 1 1 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.414 -0.444 25493 48 1 1 . 1 1 15 15 ARG C C 15 179.300 179.300 176.880 2.420 25493 49 1 1 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.543 2.657 25493 50 1 1 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.721 -1.721 25493 51 1 1 . 1 1 15 15 ARG H H 15 7.980 7.980 7.608 0.372 25493 52 1 1 . 1 1 16 16 LEU N N 16 120.500 120.500 120.108 0.392 25493 53 1 1 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.412 -0.442 25493 54 1 1 . 1 1 16 16 LEU C C 16 178.500 178.500 177.156 1.344 25493 55 1 1 . 1 1 16 16 LEU CA C 16 58.100 58.100 57.922 0.178 25493 56 1 1 . 1 1 16 16 LEU CB C 16 41.200 41.200 43.070 -1.870 25493 57 1 1 . 1 1 16 16 LEU H H 16 8.210 8.210 8.475 -0.265 25493 58 1 1 . 1 1 17 17 LEU N N 17 116.100 116.100 119.777 -3.677 25493 59 1 1 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.105 -0.105 25493 60 1 1 . 1 1 17 17 LEU C C 17 179.400 179.400 179.136 0.264 25493 61 1 1 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.795 -0.195 25493 62 1 1 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.163 0.537 25493 63 1 1 . 1 1 17 17 LEU H H 17 8.310 8.310 8.372 -0.062 25493 64 1 1 . 1 1 18 18 GLN N N 18 114.300 114.300 116.872 -2.572 25493 65 1 1 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.238 0.002 25493 66 1 1 . 1 1 18 18 GLN C C 18 176.700 176.700 177.109 -0.409 25493 67 1 1 . 1 1 18 18 GLN CA C 18 57.000 57.000 56.902 0.098 25493 68 1 1 . 1 1 18 18 GLN CB C 18 28.800 28.800 28.070 0.730 25493 69 1 1 . 1 1 18 18 GLN H H 18 7.460 7.460 7.877 -0.417 25493 70 1 1 . 1 1 19 19 ALA N N 19 120.800 120.800 121.658 -0.858 25493 71 1 1 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.152 0.338 25493 72 1 1 . 1 1 19 19 ALA C C 19 176.000 176.000 177.360 -1.360 25493 73 1 1 . 1 1 19 19 ALA CA C 19 52.600 52.600 54.063 -1.463 25493 74 1 1 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.318 2.782 25493 75 1 1 . 1 1 19 19 ALA H H 19 7.770 7.770 7.396 0.374 25493 76 1 1 . 1 1 20 20 ILE N N 20 113.500 113.500 111.391 2.109 25493 77 1 1 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.638 0.561 25493 78 1 1 . 1 1 20 20 ILE C C 20 173.600 173.600 174.022 -0.422 25493 79 1 1 . 1 1 20 20 ILE CA C 20 59.200 59.200 59.055 0.145 25493 80 1 1 . 1 1 20 20 ILE CB C 20 41.800 41.800 40.230 1.570 25493 81 1 1 . 1 1 20 20 ILE H H 20 7.360 7.360 7.305 0.055 25493 82 1 1 . 1 1 21 21 ASP N N 21 122.500 122.500 119.009 3.491 25493 83 1 1 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.084 -0.104 25493 84 1 1 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.606 0.494 25493 85 1 1 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.648 -0.448 25493 86 1 1 . 1 1 21 21 ASP H H 21 8.530 8.530 8.283 0.247 25493 87 1 1 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.422 0.028 25493 88 1 1 . 1 1 22 22 PRO C C 22 177.500 177.500 176.495 1.005 25493 89 1 1 . 1 1 22 22 PRO CA C 22 65.200 65.200 63.368 1.832 25493 90 1 1 . 1 1 22 22 PRO CB C 22 31.900 31.900 31.578 0.322 25493 91 1 1 . 1 1 23 23 GLN N N 23 115.900 115.900 119.650 -3.750 25493 92 1 1 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.183 0.237 25493 93 1 1 . 1 1 23 23 GLN C C 23 174.800 174.800 175.357 -0.557 25493 94 1 1 . 1 1 23 23 GLN CA C 23 55.400 55.400 57.999 -2.599 25493 95 1 1 . 1 1 23 23 GLN CB C 23 28.700 28.700 30.252 -1.552 25493 96 1 1 . 1 1 23 23 GLN H H 23 7.950 7.950 8.007 -0.057 25493 97 1 1 . 1 1 24 24 SER N N 24 107.900 107.900 107.985 -0.085 25493 98 1 1 . 1 1 24 24 SER HA H 24 3.730 3.730 4.631 -0.901 25493 99 1 1 . 1 1 24 24 SER C C 24 173.200 173.200 174.008 -0.808 25493 100 1 1 . 1 1 24 24 SER CA C 24 60.300 60.300 57.407 2.893 25493 101 1 1 . 1 1 24 24 SER CB C 24 60.300 60.300 64.206 -3.906 25493 102 1 1 . 1 1 24 24 SER H H 24 8.270 8.270 8.245 0.025 25493 103 1 1 . 1 1 25 25 ASN N N 25 117.000 117.000 121.902 -4.902 25493 104 1 1 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.813 -0.283 25493 105 1 1 . 1 1 25 25 ASN C C 25 175.600 175.600 174.652 0.948 25493 106 1 1 . 1 1 25 25 ASN CA C 25 52.800 52.800 53.669 -0.869 25493 107 1 1 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.682 -1.182 25493 108 1 1 . 1 1 25 25 ASN H H 25 8.500 8.500 7.732 0.768 25493 109 1 1 . 1 1 26 26 ILE N N 26 122.400 122.400 117.570 4.830 25493 110 1 1 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.142 -0.322 25493 111 1 1 . 1 1 26 26 ILE C C 26 176.400 176.400 176.661 -0.261 25493 112 1 1 . 1 1 26 26 ILE CA C 26 63.600 63.600 61.368 2.232 25493 113 1 1 . 1 1 26 26 ILE CB C 26 38.600 38.600 39.447 -0.847 25493 114 1 1 . 1 1 26 26 ILE H H 26 8.890 8.890 8.460 0.430 25493 115 1 1 . 1 1 27 27 ARG N N 27 127.600 127.600 117.301 10.299 25493 116 1 1 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.884 0.646 25493 117 1 1 . 1 1 27 27 ARG C C 27 176.000 176.000 176.163 -0.163 25493 118 1 1 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.835 -2.335 25493 119 1 1 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.987 2.413 25493 120 1 1 . 1 1 27 27 ARG H H 27 9.070 9.070 8.417 0.653 25493 121 1 1 . 1 1 28 28 ASN N N 28 117.300 117.300 118.664 -1.364 25493 122 1 1 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.936 -0.006 25493 123 1 1 . 1 1 28 28 ASN C C 28 174.300 174.300 174.962 -0.662 25493 124 1 1 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.809 -0.210 25493 125 1 1 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.539 0.461 25493 126 1 1 . 1 1 28 28 ASN H H 28 7.510 7.510 8.413 -0.903 25493 127 1 1 . 1 1 29 29 MET N N 29 125.700 125.700 122.245 3.455 25493 128 1 1 . 1 1 29 29 MET HA H 29 4.190 4.190 4.167 0.023 25493 129 1 1 . 1 1 29 29 MET C C 29 177.300 177.300 176.775 0.525 25493 130 1 1 . 1 1 29 29 MET CA C 29 57.600 57.600 58.635 -1.035 25493 131 1 1 . 1 1 29 29 MET CB C 29 31.400 31.400 32.813 -1.413 25493 132 1 1 . 1 1 29 29 MET H H 29 8.940 8.940 8.502 0.438 25493 133 1 1 . 1 1 30 30 VAL N N 30 118.600 118.600 115.525 3.075 25493 134 1 1 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.753 -0.233 25493 135 1 1 . 1 1 30 30 VAL C C 30 178.800 178.800 177.018 1.782 25493 136 1 1 . 1 1 30 30 VAL CA C 30 66.900 66.900 65.181 1.719 25493 137 1 1 . 1 1 30 30 VAL CB C 30 31.500 31.500 30.441 1.059 25493 138 1 1 . 1 1 30 30 VAL H H 30 7.910 7.910 7.841 0.069 25493 139 1 1 . 1 1 31 31 ALA N N 31 120.600 120.600 122.862 -2.262 25493 140 1 1 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.138 -0.008 25493 141 1 1 . 1 1 31 31 ALA C C 31 180.300 180.300 179.524 0.776 25493 142 1 1 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.982 -0.682 25493 143 1 1 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.243 0.657 25493 144 1 1 . 1 1 31 31 ALA H H 31 7.270 7.270 7.839 -0.569 25493 145 1 1 . 1 1 32 32 VAL N N 32 117.900 117.900 117.561 0.339 25493 146 1 1 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.890 -0.510 25493 147 1 1 . 1 1 32 32 VAL C C 32 177.700 177.700 176.722 0.978 25493 148 1 1 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.315 3.385 25493 149 1 1 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.225 -1.325 25493 150 1 1 . 1 1 32 32 VAL H H 32 7.640 7.640 7.411 0.229 25493 151 1 1 . 1 1 33 33 LEU N N 33 119.900 119.900 119.638 0.262 25493 152 1 1 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.380 -0.470 25493 153 1 1 . 1 1 33 33 LEU C C 33 179.900 179.900 178.632 1.268 25493 154 1 1 . 1 1 33 33 LEU CA C 33 58.300 58.300 57.166 1.134 25493 155 1 1 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.758 -1.058 25493 156 1 1 . 1 1 33 33 LEU H H 33 8.450 8.450 7.547 0.903 25493 157 1 1 . 1 1 34 34 GLU N N 34 121.200 121.200 120.560 0.640 25493 158 1 1 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.140 -0.080 25493 159 1 1 . 1 1 34 34 GLU C C 34 179.800 179.800 179.282 0.518 25493 160 1 1 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.176 0.624 25493 161 1 1 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.182 0.118 25493 162 1 1 . 1 1 34 34 GLU H H 34 8.080 8.080 8.258 -0.178 25493 163 1 1 . 1 1 35 35 VAL N N 35 122.400 122.400 120.700 1.700 25493 164 1 1 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.794 -0.194 25493 165 1 1 . 1 1 35 35 VAL C C 35 177.900 177.900 176.969 0.931 25493 166 1 1 . 1 1 35 35 VAL CA C 35 67.100 67.100 65.976 1.124 25493 167 1 1 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.698 -0.798 25493 168 1 1 . 1 1 35 35 VAL H H 35 8.060 8.060 7.423 0.637 25493 169 1 1 . 1 1 36 36 ILE N N 36 119.800 119.800 119.119 0.681 25493 170 1 1 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.869 -0.309 25493 171 1 1 . 1 1 36 36 ILE C C 36 177.500 177.500 178.022 -0.522 25493 172 1 1 . 1 1 36 36 ILE CA C 36 64.200 64.200 64.074 0.126 25493 173 1 1 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.512 -0.212 25493 174 1 1 . 1 1 36 36 ILE H H 36 8.420 8.420 7.538 0.882 25493 175 1 1 . 1 1 37 37 SER N N 37 114.700 114.700 115.503 -0.803 25493 176 1 1 . 1 1 37 37 SER HA H 37 4.290 4.290 4.158 0.132 25493 177 1 1 . 1 1 37 37 SER C C 37 177.300 177.300 176.250 1.050 25493 178 1 1 . 1 1 37 37 SER CA C 37 61.900 61.900 61.670 0.230 25493 179 1 1 . 1 1 37 37 SER CB C 37 63.100 63.100 62.979 0.121 25493 180 1 1 . 1 1 37 37 SER H H 37 8.430 8.430 8.214 0.216 25493 181 1 1 . 1 1 38 38 SER N N 38 117.200 117.200 117.024 0.176 25493 182 1 1 . 1 1 38 38 SER HA H 38 4.290 4.290 4.394 -0.104 25493 183 1 1 . 1 1 38 38 SER C C 38 176.700 176.700 176.937 -0.237 25493 184 1 1 . 1 1 38 38 SER CA C 38 62.500 62.500 61.498 1.002 25493 185 1 1 . 1 1 38 38 SER CB C 38 63.100 63.100 63.519 -0.419 25493 186 1 1 . 1 1 38 38 SER H H 38 8.200 8.200 7.640 0.560 25493 187 1 1 . 1 1 39 39 LEU N N 39 121.600 121.600 122.593 -0.993 25493 188 1 1 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.230 0.140 25493 189 1 1 . 1 1 39 39 LEU C C 39 178.700 178.700 178.898 -0.198 25493 190 1 1 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.406 -0.306 25493 191 1 1 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.511 1.289 25493 192 1 1 . 1 1 39 39 LEU H H 39 8.150 8.150 8.603 -0.453 25493 193 1 1 . 1 1 40 40 GLU N N 40 118.600 118.600 119.123 -0.523 25493 194 1 1 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.240 -0.340 25493 195 1 1 . 1 1 40 40 GLU C C 40 178.100 178.100 177.065 1.035 25493 196 1 1 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.870 -0.170 25493 197 1 1 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.794 0.506 25493 198 1 1 . 1 1 40 40 GLU H H 40 8.190 8.190 8.556 -0.366 25493 199 1 1 . 1 1 41 41 LYS N N 41 116.300 116.300 114.344 1.956 25493 200 1 1 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.534 -0.304 25493 201 1 1 . 1 1 41 41 LYS C C 41 175.800 175.800 175.342 0.458 25493 202 1 1 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.886 0.714 25493 203 1 1 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.243 0.357 25493 204 1 1 . 1 1 41 41 LYS H H 41 7.440 7.440 7.679 -0.239 25493 205 1 1 . 1 1 42 42 TYR N N 42 121.400 121.400 123.814 -2.414 25493 206 1 1 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.825 0.035 25493 207 1 1 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.446 -0.046 25493 208 1 1 . 1 1 42 42 TYR CB C 42 39.600 39.600 40.627 -1.027 25493 209 1 1 . 1 1 42 42 TYR H H 42 7.730 7.730 7.953 -0.223 25493 210 1 1 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.583 0.177 25493 211 1 1 . 1 1 43 43 PRO C C 43 175.800 175.800 175.489 0.311 25493 212 1 1 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.567 -0.067 25493 213 1 1 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.730 -0.430 25493 214 1 1 . 1 1 44 44 ILE N N 44 124.000 124.000 123.576 0.424 25493 215 1 1 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.058 0.412 25493 216 1 1 . 1 1 44 44 ILE C C 44 174.300 174.300 176.398 -2.098 25493 217 1 1 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.292 -0.992 25493 218 1 1 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.691 3.009 25493 219 1 1 . 1 1 44 44 ILE H H 44 8.200 8.200 7.775 0.425 25493 220 1 1 . 1 1 45 45 THR N N 45 112.200 112.200 115.780 -3.580 25493 221 1 1 . 1 1 45 45 THR HA H 45 4.530 4.530 4.715 -0.185 25493 222 1 1 . 1 1 45 45 THR C C 45 175.100 175.100 175.381 -0.281 25493 223 1 1 . 1 1 45 45 THR CA C 45 59.800 59.800 59.888 -0.088 25493 224 1 1 . 1 1 45 45 THR CB C 45 72.300 72.300 71.194 1.106 25493 225 1 1 . 1 1 45 45 THR H H 45 7.330 7.330 8.012 -0.682 25493 226 1 1 . 1 1 46 46 LYS N N 46 121.500 121.500 125.628 -4.128 25493 227 1 1 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.841 -0.101 25493 228 1 1 . 1 1 46 46 LYS C C 46 178.200 178.200 178.568 -0.368 25493 229 1 1 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.368 0.632 25493 230 1 1 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.481 1.019 25493 231 1 1 . 1 1 46 46 LYS H H 46 9.090 9.090 8.999 0.091 25493 232 1 1 . 1 1 47 47 GLU N N 47 118.400 118.400 118.894 -0.494 25493 233 1 1 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.037 -0.017 25493 234 1 1 . 1 1 47 47 GLU C C 47 179.000 179.000 178.458 0.542 25493 235 1 1 . 1 1 47 47 GLU CA C 47 60.800 60.800 59.640 1.160 25493 236 1 1 . 1 1 47 47 GLU CB C 47 28.700 28.700 28.792 -0.092 25493 237 1 1 . 1 1 47 47 GLU H H 47 9.010 9.010 8.857 0.153 25493 238 1 1 . 1 1 48 48 ALA N N 48 122.300 122.300 120.069 2.231 25493 239 1 1 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.188 0.082 25493 240 1 1 . 1 1 48 48 ALA C C 48 181.900 181.900 178.916 2.984 25493 241 1 1 . 1 1 48 48 ALA CA C 48 54.900 54.900 54.472 0.428 25493 242 1 1 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.150 -0.350 25493 243 1 1 . 1 1 48 48 ALA H H 48 7.860 7.860 7.461 0.399 25493 244 1 1 . 1 1 49 49 LEU N N 49 122.200 122.200 121.780 0.420 25493 245 1 1 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.103 -0.523 25493 246 1 1 . 1 1 49 49 LEU C C 49 179.800 179.800 178.337 1.463 25493 247 1 1 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.733 0.967 25493 248 1 1 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.368 -0.068 25493 249 1 1 . 1 1 49 49 LEU H H 49 8.260 8.260 8.454 -0.194 25493 250 1 1 . 1 1 50 50 GLU N N 50 120.400 120.400 118.129 2.271 25493 251 1 1 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.045 -0.005 25493 252 1 1 . 1 1 50 50 GLU C C 50 178.900 178.900 178.584 0.316 25493 253 1 1 . 1 1 50 50 GLU CA C 50 59.200 59.200 59.333 -0.133 25493 254 1 1 . 1 1 50 50 GLU CB C 50 29.200 29.200 28.683 0.517 25493 255 1 1 . 1 1 50 50 GLU H H 50 8.120 8.120 8.585 -0.465 25493 256 1 1 . 1 1 51 51 GLU N N 51 118.500 118.500 120.685 -2.185 25493 257 1 1 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.143 -0.093 25493 258 1 1 . 1 1 51 51 GLU C C 51 178.800 178.800 178.272 0.528 25493 259 1 1 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.913 0.287 25493 260 1 1 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.330 0.970 25493 261 1 1 . 1 1 51 51 GLU H H 51 8.200 8.200 8.119 0.081 25493 262 1 1 . 1 1 52 52 THR N N 52 104.700 104.700 109.054 -4.354 25493 263 1 1 . 1 1 52 52 THR HA H 52 4.090 4.090 4.394 -0.304 25493 264 1 1 . 1 1 52 52 THR C C 52 175.400 175.400 174.273 1.127 25493 265 1 1 . 1 1 52 52 THR CA C 52 63.100 63.100 61.860 1.240 25493 266 1 1 . 1 1 52 52 THR CB C 52 71.800 71.800 69.030 2.770 25493 267 1 1 . 1 1 52 52 THR H H 52 7.840 7.840 7.912 -0.072 25493 268 1 1 . 1 1 53 53 ARG N N 53 114.400 114.400 116.632 -2.232 25493 269 1 1 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.984 0.126 25493 270 1 1 . 1 1 53 53 ARG C C 53 177.200 177.200 176.175 1.025 25493 271 1 1 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.934 0.366 25493 272 1 1 . 1 1 53 53 ARG CB C 53 27.500 27.500 27.180 0.320 25493 273 1 1 . 1 1 53 53 ARG H H 53 7.680 7.680 7.420 0.260 25493 274 1 1 . 1 1 54 54 LEU N N 54 117.200 117.200 120.079 -2.879 25493 275 1 1 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.213 -0.403 25493 276 1 1 . 1 1 54 54 LEU C C 54 178.200 178.200 178.281 -0.081 25493 277 1 1 . 1 1 54 54 LEU CA C 54 58.700 58.700 57.819 0.881 25493 278 1 1 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.220 2.180 25493 279 1 1 . 1 1 54 54 LEU H H 54 7.460 7.460 8.213 -0.753 25493 280 1 1 . 1 1 55 55 GLY N N 55 105.900 105.900 105.659 0.241 25493 281 1 1 . 1 1 55 55 GLY C C 55 175.500 175.500 175.887 -0.387 25493 282 1 1 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.184 0.016 25493 283 1 1 . 1 1 55 55 GLY H H 55 8.650 8.650 8.581 0.069 25493 284 1 1 . 1 1 56 56 LYS N N 56 123.300 123.300 120.906 2.394 25493 285 1 1 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.075 0.035 25493 286 1 1 . 1 1 56 56 LYS C C 56 178.300 178.300 177.788 0.512 25493 287 1 1 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.771 0.429 25493 288 1 1 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.214 0.286 25493 289 1 1 . 1 1 56 56 LYS H H 56 7.210 7.210 7.513 -0.303 25493 290 1 1 . 1 1 57 57 LEU N N 57 117.700 117.700 118.422 -0.722 25493 291 1 1 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.208 -0.029 25493 292 1 1 . 1 1 57 57 LEU C C 57 179.600 179.600 178.352 1.248 25493 293 1 1 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.246 0.454 25493 294 1 1 . 1 1 57 57 LEU CB C 57 43.400 43.400 42.965 0.435 25493 295 1 1 . 1 1 57 57 LEU H H 57 7.900 7.900 7.472 0.428 25493 296 1 1 . 1 1 58 58 ILE N N 58 116.600 116.600 119.632 -3.032 25493 297 1 1 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.712 -0.032 25493 298 1 1 . 1 1 58 58 ILE C C 58 177.900 177.900 177.405 0.495 25493 299 1 1 . 1 1 58 58 ILE CA C 58 63.100 63.100 64.225 -1.125 25493 300 1 1 . 1 1 58 58 ILE CB C 58 35.800 35.800 37.036 -1.236 25493 301 1 1 . 1 1 58 58 ILE H H 58 8.640 8.640 7.900 0.740 25493 302 1 1 . 1 1 59 59 ASN N N 59 119.600 119.600 117.296 2.304 25493 303 1 1 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.629 -0.259 25493 304 1 1 . 1 1 59 59 ASN C C 59 176.700 176.700 175.515 1.185 25493 305 1 1 . 1 1 59 59 ASN CA C 59 57.000 57.000 55.081 1.919 25493 306 1 1 . 1 1 59 59 ASN CB C 59 38.500 38.500 37.905 0.595 25493 307 1 1 . 1 1 59 59 ASN H H 59 8.120 8.120 8.418 -0.298 25493 308 1 1 . 1 1 60 60 ASP N N 60 119.600 119.600 120.818 -1.218 25493 309 1 1 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.776 -0.396 25493 310 1 1 . 1 1 60 60 ASP C C 60 179.400 179.400 177.925 1.475 25493 311 1 1 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.497 1.103 25493 312 1 1 . 1 1 60 60 ASP CB C 60 39.600 39.600 42.064 -2.464 25493 313 1 1 . 1 1 60 60 ASP H H 60 8.490 8.490 7.602 0.888 25493 314 1 1 . 1 1 61 61 VAL N N 61 118.700 118.700 122.605 -3.905 25493 315 1 1 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.778 -0.028 25493 316 1 1 . 1 1 61 61 VAL C C 61 179.000 179.000 176.670 2.330 25493 317 1 1 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.315 0.485 25493 318 1 1 . 1 1 61 61 VAL CB C 61 32.500 32.500 32.024 0.476 25493 319 1 1 . 1 1 61 61 VAL H H 61 7.930 7.930 8.398 -0.468 25493 320 1 1 . 1 1 62 62 ARG N N 62 120.900 120.900 117.088 3.812 25493 321 1 1 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.347 -0.697 25493 322 1 1 . 1 1 62 62 ARG C C 62 177.100 177.100 176.732 0.368 25493 323 1 1 . 1 1 62 62 ARG CA C 62 59.200 59.200 57.683 1.517 25493 324 1 1 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.530 0.270 25493 325 1 1 . 1 1 62 62 ARG H H 62 8.620 8.620 7.944 0.676 25493 326 1 1 . 1 1 63 63 LYS N N 63 115.700 115.700 117.498 -1.798 25493 327 1 1 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.375 -0.445 25493 328 1 1 . 1 1 63 63 LYS C C 63 177.600 177.600 177.702 -0.102 25493 329 1 1 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.159 2.041 25493 330 1 1 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.624 0.376 25493 331 1 1 . 1 1 63 63 LYS H H 63 7.940 7.940 7.651 0.289 25493 332 1 1 . 1 1 64 64 LYS N N 64 115.300 115.300 119.535 -4.235 25493 333 1 1 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.311 0.119 25493 334 1 1 . 1 1 64 64 LYS C C 64 176.900 176.900 176.704 0.196 25493 335 1 1 . 1 1 64 64 LYS CA C 64 55.400 55.400 57.491 -2.091 25493 336 1 1 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.893 0.207 25493 337 1 1 . 1 1 64 64 LYS H H 64 7.130 7.130 7.843 -0.713 25493 338 1 1 . 1 1 65 65 THR N N 65 113.500 113.500 113.074 0.426 25493 339 1 1 . 1 1 65 65 THR HA H 65 4.520 4.520 4.554 -0.034 25493 340 1 1 . 1 1 65 65 THR C C 65 173.200 173.200 172.669 0.531 25493 341 1 1 . 1 1 65 65 THR CA C 65 62.000 62.000 61.124 0.875 25493 342 1 1 . 1 1 65 65 THR CB C 65 69.600 69.600 70.213 -0.613 25493 343 1 1 . 1 1 65 65 THR H H 65 7.250 7.250 7.898 -0.648 25493 344 1 1 . 1 1 66 66 LYS N N 66 125.700 125.700 123.027 2.673 25493 345 1 1 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.566 -0.056 25493 346 1 1 . 1 1 66 66 LYS C C 66 175.900 175.900 175.402 0.498 25493 347 1 1 . 1 1 66 66 LYS CA C 66 55.400 55.400 55.120 0.280 25493 348 1 1 . 1 1 66 66 LYS CB C 66 32.000 32.000 31.969 0.031 25493 349 1 1 . 1 1 66 66 LYS H H 66 8.500 8.500 8.537 -0.037 25493 350 1 1 . 1 1 67 67 ASN N N 67 122.100 122.100 120.741 1.359 25493 351 1 1 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.424 0.266 25493 352 1 1 . 1 1 67 67 ASN C C 67 174.400 174.400 176.482 -2.082 25493 353 1 1 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.611 -0.411 25493 354 1 1 . 1 1 67 67 ASN CB C 67 39.000 39.000 38.514 0.486 25493 355 1 1 . 1 1 67 67 ASN H H 67 8.570 8.570 8.355 0.215 25493 356 1 1 . 1 1 68 68 GLU N N 68 128.400 128.400 124.657 3.743 25493 357 1 1 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.976 0.014 25493 358 1 1 . 1 1 68 68 GLU C C 68 178.500 178.500 177.837 0.663 25493 359 1 1 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.366 -0.066 25493 360 1 1 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.668 0.132 25493 361 1 1 . 1 1 68 68 GLU H H 68 8.850 8.850 8.665 0.185 25493 362 1 1 . 1 1 69 69 GLU N N 69 120.300 120.300 117.249 3.051 25493 363 1 1 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.393 -0.363 25493 364 1 1 . 1 1 69 69 GLU C C 69 179.000 179.000 177.403 1.597 25493 365 1 1 . 1 1 69 69 GLU CA C 69 59.200 59.200 56.550 2.650 25493 366 1 1 . 1 1 69 69 GLU CB C 69 29.200 29.200 29.903 -0.703 25493 367 1 1 . 1 1 69 69 GLU H H 69 8.190 8.190 8.237 -0.047 25493 368 1 1 . 1 1 70 70 LEU N N 70 121.300 121.300 122.691 -1.391 25493 369 1 1 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.176 -0.306 25493 370 1 1 . 1 1 70 70 LEU C C 70 178.500 178.500 178.269 0.231 25493 371 1 1 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.084 1.116 25493 372 1 1 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.912 -1.212 25493 373 1 1 . 1 1 70 70 LEU H H 70 8.120 8.120 7.758 0.362 25493 374 1 1 . 1 1 71 71 ALA N N 71 121.000 121.000 119.519 1.481 25493 375 1 1 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.995 -0.255 25493 376 1 1 . 1 1 71 71 ALA C C 71 180.100 180.100 177.548 2.552 25493 377 1 1 . 1 1 71 71 ALA CA C 71 56.500 56.500 54.937 1.563 25493 378 1 1 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.724 -1.024 25493 379 1 1 . 1 1 71 71 ALA H H 71 8.330 8.330 8.457 -0.127 25493 380 1 1 . 1 1 72 72 LYS N N 72 118.200 118.200 113.446 4.754 25493 381 1 1 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.460 -0.500 25493 382 1 1 . 1 1 72 72 LYS C C 72 179.800 179.800 178.857 0.943 25493 383 1 1 . 1 1 72 72 LYS CA C 72 59.800 59.800 56.604 3.196 25493 384 1 1 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.275 0.225 25493 385 1 1 . 1 1 72 72 LYS H H 72 8.150 8.150 7.611 0.539 25493 386 1 1 . 1 1 73 73 ARG N N 73 120.600 120.600 122.320 -1.720 25493 387 1 1 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.078 -0.088 25493 388 1 1 . 1 1 73 73 ARG C C 73 180.100 180.100 178.166 1.934 25493 389 1 1 . 1 1 73 73 ARG CA C 73 59.300 59.300 58.222 1.078 25493 390 1 1 . 1 1 73 73 ARG CB C 73 32.000 32.000 29.342 2.658 25493 391 1 1 . 1 1 73 73 ARG H H 73 8.140 8.140 8.718 -0.578 25493 392 1 1 . 1 1 74 74 ALA N N 74 121.700 121.700 121.053 0.647 25493 393 1 1 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.219 -0.439 25493 394 1 1 . 1 1 74 74 ALA C C 74 178.100 178.100 178.658 -0.558 25493 395 1 1 . 1 1 74 74 ALA CA C 74 54.900 54.900 54.330 0.570 25493 396 1 1 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.394 -1.194 25493 397 1 1 . 1 1 74 74 ALA H H 74 8.970 8.970 7.888 1.081 25493 398 1 1 . 1 1 75 75 LYS N N 75 117.900 117.900 117.859 0.041 25493 399 1 1 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.268 -0.528 25493 400 1 1 . 1 1 75 75 LYS C C 75 178.300 178.300 178.146 0.154 25493 401 1 1 . 1 1 75 75 LYS CA C 75 60.300 60.300 57.501 2.799 25493 402 1 1 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.908 -0.408 25493 403 1 1 . 1 1 75 75 LYS H H 75 8.200 8.200 7.840 0.360 25493 404 1 1 . 1 1 76 76 LYS N N 76 118.800 118.800 119.507 -0.707 25493 405 1 1 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.005 -0.115 25493 406 1 1 . 1 1 76 76 LYS C C 76 179.200 179.200 178.122 1.078 25493 407 1 1 . 1 1 76 76 LYS CA C 76 59.800 59.800 59.035 0.765 25493 408 1 1 . 1 1 76 76 LYS CB C 76 32.400 32.400 32.642 -0.242 25493 409 1 1 . 1 1 76 76 LYS H H 76 7.630 7.630 7.505 0.125 25493 410 1 1 . 1 1 77 77 LEU N N 77 121.400 121.400 118.981 2.419 25493 411 1 1 . 1 1 77 77 LEU HA H 77 3.630 3.630 4.084 -0.454 25493 412 1 1 . 1 1 77 77 LEU C C 77 178.200 178.200 178.478 -0.278 25493 413 1 1 . 1 1 77 77 LEU CA C 77 57.600 57.600 56.311 1.289 25493 414 1 1 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.502 -0.702 25493 415 1 1 . 1 1 77 77 LEU H H 77 7.430 7.430 7.822 -0.392 25493 416 1 1 . 1 1 78 78 LEU N N 78 117.600 117.600 120.358 -2.758 25493 417 1 1 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.684 0.076 25493 418 1 1 . 1 1 78 78 LEU C C 78 180.300 180.300 178.742 1.558 25493 419 1 1 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.675 0.425 25493 420 1 1 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.850 0.350 25493 421 1 1 . 1 1 78 78 LEU H H 78 7.960 7.960 7.551 0.409 25493 422 1 1 . 1 1 79 79 ARG N N 79 119.800 119.800 117.768 2.032 25493 423 1 1 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.865 0.245 25493 424 1 1 . 1 1 79 79 ARG C C 79 179.500 179.500 178.632 0.868 25493 425 1 1 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.713 0.487 25493 426 1 1 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.626 0.074 25493 427 1 1 . 1 1 79 79 ARG H H 79 8.110 8.110 7.697 0.413 25493 428 1 1 . 1 1 80 80 SER N N 80 117.800 117.800 115.301 2.499 25493 429 1 1 . 1 1 80 80 SER HA H 80 4.310 4.310 4.083 0.227 25493 430 1 1 . 1 1 80 80 SER C C 80 177.000 177.000 175.039 1.961 25493 431 1 1 . 1 1 80 80 SER CA C 80 61.500 61.500 60.469 1.031 25493 432 1 1 . 1 1 80 80 SER CB C 80 62.500 62.500 62.917 -0.417 25493 433 1 1 . 1 1 80 80 SER H H 80 7.870 7.870 7.248 0.622 25493 434 1 1 . 1 1 81 81 TRP N N 81 123.300 123.300 117.202 6.098 25493 435 1 1 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.016 -0.206 25493 436 1 1 . 1 1 81 81 TRP C C 81 178.200 178.200 176.827 1.373 25493 437 1 1 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.718 0.782 25493 438 1 1 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.443 0.757 25493 439 1 1 . 1 1 81 81 TRP H H 81 8.010 8.010 6.873 1.137 25493 440 1 1 . 1 1 82 82 GLN N N 82 120.400 120.400 122.111 -1.711 25493 441 1 1 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.102 -0.022 25493 442 1 1 . 1 1 82 82 GLN C C 82 177.600 177.600 176.949 0.651 25493 443 1 1 . 1 1 82 82 GLN CA C 82 59.200 59.200 58.521 0.679 25493 444 1 1 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.270 -0.070 25493 445 1 1 . 1 1 82 82 GLN H H 82 8.080 8.080 7.653 0.427 25493 446 1 1 . 1 1 83 83 LYS N N 83 115.600 115.600 117.844 -2.244 25493 447 1 1 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.104 0.116 25493 448 1 1 . 1 1 83 83 LYS C C 83 177.400 177.400 177.139 0.261 25493 449 1 1 . 1 1 83 83 LYS CA C 83 57.600 57.600 58.690 -1.090 25493 450 1 1 . 1 1 83 83 LYS CB C 83 32.500 32.500 32.203 0.297 25493 451 1 1 . 1 1 83 83 LYS H H 83 7.770 7.770 8.318 -0.548 25493 452 1 1 . 1 1 84 84 LEU N N 84 117.900 117.900 115.912 1.988 25493 453 1 1 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.541 -0.261 25493 454 1 1 . 1 1 84 84 LEU C C 84 177.500 177.500 177.164 0.336 25493 455 1 1 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.238 0.762 25493 456 1 1 . 1 1 84 84 LEU CB C 84 42.900 42.900 43.959 -1.059 25493 457 1 1 . 1 1 84 84 LEU H H 84 7.670 7.670 7.780 -0.110 25493 458 1 1 . 1 1 85 85 ILE N N 85 115.400 115.400 115.225 0.175 25493 459 1 1 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.325 -0.195 25493 460 1 1 . 1 1 85 85 ILE C C 85 175.100 175.100 175.507 -0.407 25493 461 1 1 . 1 1 85 85 ILE CA C 85 61.400 61.400 60.923 0.477 25493 462 1 1 . 1 1 85 85 ILE CB C 85 39.600 39.600 39.072 0.528 25493 463 1 1 . 1 1 85 85 ILE H H 85 7.490 7.490 8.064 -0.574 25493 464 1 2 . 1 1 7 7 ALA N N 7 123.700 123.700 122.726 0.974 25493 465 1 2 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.475 -0.055 25493 466 1 2 . 1 1 7 7 ALA C C 7 176.700 176.700 175.458 1.242 25493 467 1 2 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.527 0.073 25493 468 1 2 . 1 1 7 7 ALA CB C 7 19.900 19.900 21.060 -1.160 25493 469 1 2 . 1 1 7 7 ALA H H 7 8.040 8.040 7.922 0.118 25493 470 1 2 . 1 1 8 8 SER N N 8 117.100 117.100 116.490 0.610 25493 471 1 2 . 1 1 8 8 SER HA H 8 4.750 4.750 4.282 0.468 25493 472 1 2 . 1 1 8 8 SER CA C 8 56.000 56.000 55.920 0.080 25493 473 1 2 . 1 1 8 8 SER CB C 8 63.300 63.300 63.334 -0.034 25493 474 1 2 . 1 1 8 8 SER H H 8 8.430 8.430 8.262 0.168 25493 475 1 2 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.883 0.057 25493 476 1 2 . 1 1 9 9 PRO C C 9 177.400 177.400 178.148 -0.748 25493 477 1 2 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.547 0.253 25493 478 1 2 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.720 0.280 25493 479 1 2 . 1 1 10 10 GLN N N 10 116.000 116.000 116.769 -0.769 25493 480 1 2 . 1 1 10 10 GLN HA H 10 3.660 3.660 3.972 -0.312 25493 481 1 2 . 1 1 10 10 GLN C C 10 177.500 177.500 178.235 -0.735 25493 482 1 2 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.751 0.549 25493 483 1 2 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.582 -0.082 25493 484 1 2 . 1 1 10 10 GLN H H 10 8.350 8.350 8.293 0.057 25493 485 1 2 . 1 1 11 11 GLN N N 11 119.200 119.200 118.654 0.546 25493 486 1 2 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.090 -0.010 25493 487 1 2 . 1 1 11 11 GLN C C 11 179.600 179.600 178.265 1.335 25493 488 1 2 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.540 0.360 25493 489 1 2 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.458 0.142 25493 490 1 2 . 1 1 11 11 GLN H H 11 7.680 7.680 7.635 0.045 25493 491 1 2 . 1 1 12 12 ILE N N 12 121.300 121.300 113.959 7.341 25493 492 1 2 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.855 -0.325 25493 493 1 2 . 1 1 12 12 ILE C C 12 177.200 177.200 177.322 -0.122 25493 494 1 2 . 1 1 12 12 ILE CA C 12 65.300 65.300 64.071 1.229 25493 495 1 2 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.135 0.265 25493 496 1 2 . 1 1 12 12 ILE H H 12 8.190 8.190 8.129 0.061 25493 497 1 2 . 1 1 13 13 ARG N N 13 120.200 120.200 122.102 -1.902 25493 498 1 2 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.940 -0.200 25493 499 1 2 . 1 1 13 13 ARG C C 13 177.700 177.700 178.128 -0.428 25493 500 1 2 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.709 0.591 25493 501 1 2 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.868 -1.668 25493 502 1 2 . 1 1 13 13 ARG H H 13 8.320 8.320 8.114 0.206 25493 503 1 2 . 1 1 14 14 ASP N N 14 119.200 119.200 118.620 0.580 25493 504 1 2 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.508 -0.178 25493 505 1 2 . 1 1 14 14 ASP C C 14 178.800 178.800 177.193 1.607 25493 506 1 2 . 1 1 14 14 ASP CA C 14 58.000 58.000 56.009 1.991 25493 507 1 2 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.185 -0.585 25493 508 1 2 . 1 1 14 14 ASP H H 14 8.280 8.280 8.274 0.006 25493 509 1 2 . 1 1 15 15 ARG N N 15 120.400 120.400 117.783 2.617 25493 510 1 2 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.440 -0.470 25493 511 1 2 . 1 1 15 15 ARG C C 15 179.300 179.300 177.185 2.115 25493 512 1 2 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.634 2.566 25493 513 1 2 . 1 1 15 15 ARG CB C 15 30.000 30.000 30.655 -0.655 25493 514 1 2 . 1 1 15 15 ARG H H 15 7.980 7.980 7.604 0.376 25493 515 1 2 . 1 1 16 16 LEU N N 16 120.500 120.500 119.989 0.511 25493 516 1 2 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.386 -0.416 25493 517 1 2 . 1 1 16 16 LEU C C 16 178.500 178.500 177.788 0.712 25493 518 1 2 . 1 1 16 16 LEU CA C 16 58.100 58.100 57.938 0.162 25493 519 1 2 . 1 1 16 16 LEU CB C 16 41.200 41.200 42.370 -1.170 25493 520 1 2 . 1 1 16 16 LEU H H 16 8.210 8.210 8.203 0.007 25493 521 1 2 . 1 1 17 17 LEU N N 17 116.100 116.100 119.371 -3.271 25493 522 1 2 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.066 -0.066 25493 523 1 2 . 1 1 17 17 LEU C C 17 179.400 179.400 179.163 0.237 25493 524 1 2 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.917 -0.317 25493 525 1 2 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.352 0.348 25493 526 1 2 . 1 1 17 17 LEU H H 17 8.310 8.310 8.146 0.164 25493 527 1 2 . 1 1 18 18 GLN N N 18 114.300 114.300 116.669 -2.369 25493 528 1 2 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.162 0.078 25493 529 1 2 . 1 1 18 18 GLN C C 18 176.700 176.700 177.375 -0.675 25493 530 1 2 . 1 1 18 18 GLN CA C 18 57.000 57.000 56.890 0.110 25493 531 1 2 . 1 1 18 18 GLN CB C 18 28.800 28.800 27.665 1.135 25493 532 1 2 . 1 1 18 18 GLN H H 18 7.460 7.460 8.227 -0.767 25493 533 1 2 . 1 1 19 19 ALA N N 19 120.800 120.800 120.890 -0.090 25493 534 1 2 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.244 0.246 25493 535 1 2 . 1 1 19 19 ALA C C 19 176.000 176.000 177.133 -1.133 25493 536 1 2 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.381 -0.781 25493 537 1 2 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.093 3.007 25493 538 1 2 . 1 1 19 19 ALA H H 19 7.770 7.770 7.531 0.239 25493 539 1 2 . 1 1 20 20 ILE N N 20 113.500 113.500 111.945 1.555 25493 540 1 2 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.593 0.607 25493 541 1 2 . 1 1 20 20 ILE C C 20 173.600 173.600 174.020 -0.420 25493 542 1 2 . 1 1 20 20 ILE CA C 20 59.200 59.200 59.078 0.122 25493 543 1 2 . 1 1 20 20 ILE CB C 20 41.800 41.800 40.151 1.649 25493 544 1 2 . 1 1 20 20 ILE H H 20 7.360 7.360 7.312 0.048 25493 545 1 2 . 1 1 21 21 ASP N N 21 122.500 122.500 119.654 2.846 25493 546 1 2 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.020 -0.040 25493 547 1 2 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.944 0.156 25493 548 1 2 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.369 -0.169 25493 549 1 2 . 1 1 21 21 ASP H H 21 8.530 8.530 8.329 0.201 25493 550 1 2 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.418 0.032 25493 551 1 2 . 1 1 22 22 PRO C C 22 177.500 177.500 177.079 0.421 25493 552 1 2 . 1 1 22 22 PRO CA C 22 65.200 65.200 64.252 0.948 25493 553 1 2 . 1 1 22 22 PRO CB C 22 31.900 31.900 32.278 -0.378 25493 554 1 2 . 1 1 23 23 GLN N N 23 115.900 115.900 118.490 -2.590 25493 555 1 2 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.244 0.176 25493 556 1 2 . 1 1 23 23 GLN C C 23 174.800 174.800 176.751 -1.951 25493 557 1 2 . 1 1 23 23 GLN CA C 23 55.400 55.400 57.848 -2.448 25493 558 1 2 . 1 1 23 23 GLN CB C 23 28.700 28.700 29.346 -0.646 25493 559 1 2 . 1 1 23 23 GLN H H 23 7.950 7.950 8.163 -0.213 25493 560 1 2 . 1 1 24 24 SER N N 24 107.900 107.900 106.270 1.630 25493 561 1 2 . 1 1 24 24 SER HA H 24 3.730 3.730 4.569 -0.839 25493 562 1 2 . 1 1 24 24 SER C C 24 173.200 173.200 173.747 -0.547 25493 563 1 2 . 1 1 24 24 SER CA C 24 60.300 60.300 57.535 2.765 25493 564 1 2 . 1 1 24 24 SER CB C 24 60.300 60.300 64.150 -3.849 25493 565 1 2 . 1 1 24 24 SER H H 24 8.270 8.270 8.202 0.068 25493 566 1 2 . 1 1 25 25 ASN N N 25 117.000 117.000 121.829 -4.829 25493 567 1 2 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.833 -0.303 25493 568 1 2 . 1 1 25 25 ASN C C 25 175.600 175.600 174.886 0.714 25493 569 1 2 . 1 1 25 25 ASN CA C 25 52.800 52.800 53.557 -0.757 25493 570 1 2 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.697 -1.197 25493 571 1 2 . 1 1 25 25 ASN H H 25 8.500 8.500 7.749 0.751 25493 572 1 2 . 1 1 26 26 ILE N N 26 122.400 122.400 117.656 4.744 25493 573 1 2 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.165 -0.345 25493 574 1 2 . 1 1 26 26 ILE C C 26 176.400 176.400 176.672 -0.272 25493 575 1 2 . 1 1 26 26 ILE CA C 26 63.600 63.600 61.316 2.284 25493 576 1 2 . 1 1 26 26 ILE CB C 26 38.600 38.600 39.559 -0.959 25493 577 1 2 . 1 1 26 26 ILE H H 26 8.890 8.890 8.488 0.402 25493 578 1 2 . 1 1 27 27 ARG N N 27 127.600 127.600 117.363 10.237 25493 579 1 2 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.917 0.613 25493 580 1 2 . 1 1 27 27 ARG C C 27 176.000 176.000 176.019 -0.019 25493 581 1 2 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.725 -2.225 25493 582 1 2 . 1 1 27 27 ARG CB C 27 31.400 31.400 29.278 2.122 25493 583 1 2 . 1 1 27 27 ARG H H 27 9.070 9.070 8.490 0.580 25493 584 1 2 . 1 1 28 28 ASN N N 28 117.300 117.300 117.750 -0.450 25493 585 1 2 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.971 -0.041 25493 586 1 2 . 1 1 28 28 ASN C C 28 174.300 174.300 175.071 -0.771 25493 587 1 2 . 1 1 28 28 ASN CA C 28 51.600 51.600 52.429 -0.829 25493 588 1 2 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.921 0.079 25493 589 1 2 . 1 1 28 28 ASN H H 28 7.510 7.510 8.386 -0.876 25493 590 1 2 . 1 1 29 29 MET N N 29 125.700 125.700 123.513 2.187 25493 591 1 2 . 1 1 29 29 MET HA H 29 4.190 4.190 4.229 -0.039 25493 592 1 2 . 1 1 29 29 MET C C 29 177.300 177.300 176.790 0.510 25493 593 1 2 . 1 1 29 29 MET CA C 29 57.600 57.600 58.984 -1.384 25493 594 1 2 . 1 1 29 29 MET CB C 29 31.400 31.400 32.733 -1.333 25493 595 1 2 . 1 1 29 29 MET H H 29 8.940 8.940 8.726 0.214 25493 596 1 2 . 1 1 30 30 VAL N N 30 118.600 118.600 115.919 2.681 25493 597 1 2 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.770 -0.250 25493 598 1 2 . 1 1 30 30 VAL C C 30 178.800 178.800 177.184 1.616 25493 599 1 2 . 1 1 30 30 VAL CA C 30 66.900 66.900 65.162 1.738 25493 600 1 2 . 1 1 30 30 VAL CB C 30 31.500 31.500 30.595 0.905 25493 601 1 2 . 1 1 30 30 VAL H H 30 7.910 7.910 7.838 0.072 25493 602 1 2 . 1 1 31 31 ALA N N 31 120.600 120.600 121.250 -0.650 25493 603 1 2 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.159 -0.029 25493 604 1 2 . 1 1 31 31 ALA C C 31 180.300 180.300 179.488 0.812 25493 605 1 2 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.938 -0.638 25493 606 1 2 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.286 0.614 25493 607 1 2 . 1 1 31 31 ALA H H 31 7.270 7.270 7.898 -0.628 25493 608 1 2 . 1 1 32 32 VAL N N 32 117.900 117.900 117.548 0.352 25493 609 1 2 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.873 -0.493 25493 610 1 2 . 1 1 32 32 VAL C C 32 177.700 177.700 176.845 0.855 25493 611 1 2 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.041 3.659 25493 612 1 2 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.081 -1.181 25493 613 1 2 . 1 1 32 32 VAL H H 32 7.640 7.640 7.288 0.352 25493 614 1 2 . 1 1 33 33 LEU N N 33 119.900 119.900 121.115 -1.215 25493 615 1 2 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.154 -0.244 25493 616 1 2 . 1 1 33 33 LEU C C 33 179.900 179.900 178.285 1.615 25493 617 1 2 . 1 1 33 33 LEU CA C 33 58.300 58.300 57.116 1.184 25493 618 1 2 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.311 -0.611 25493 619 1 2 . 1 1 33 33 LEU H H 33 8.450 8.450 8.174 0.277 25493 620 1 2 . 1 1 34 34 GLU N N 34 121.200 121.200 120.978 0.222 25493 621 1 2 . 1 1 34 34 GLU HA H 34 4.060 4.060 3.986 0.074 25493 622 1 2 . 1 1 34 34 GLU C C 34 179.800 179.800 179.006 0.794 25493 623 1 2 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.895 -0.096 25493 624 1 2 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.576 -0.276 25493 625 1 2 . 1 1 34 34 GLU H H 34 8.080 8.080 8.016 0.064 25493 626 1 2 . 1 1 35 35 VAL N N 35 122.400 122.400 119.021 3.379 25493 627 1 2 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.748 -0.148 25493 628 1 2 . 1 1 35 35 VAL C C 35 177.900 177.900 177.086 0.814 25493 629 1 2 . 1 1 35 35 VAL CA C 35 67.100 67.100 65.567 1.533 25493 630 1 2 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.774 -0.874 25493 631 1 2 . 1 1 35 35 VAL H H 35 8.060 8.060 7.352 0.708 25493 632 1 2 . 1 1 36 36 ILE N N 36 119.800 119.800 119.927 -0.127 25493 633 1 2 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.775 -0.215 25493 634 1 2 . 1 1 36 36 ILE C C 36 177.500 177.500 178.055 -0.555 25493 635 1 2 . 1 1 36 36 ILE CA C 36 64.200 64.200 63.838 0.362 25493 636 1 2 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.360 -0.060 25493 637 1 2 . 1 1 36 36 ILE H H 36 8.420 8.420 7.553 0.867 25493 638 1 2 . 1 1 37 37 SER N N 37 114.700 114.700 116.410 -1.710 25493 639 1 2 . 1 1 37 37 SER HA H 37 4.290 4.290 4.152 0.138 25493 640 1 2 . 1 1 37 37 SER C C 37 177.300 177.300 176.175 1.125 25493 641 1 2 . 1 1 37 37 SER CA C 37 61.900 61.900 61.929 -0.029 25493 642 1 2 . 1 1 37 37 SER CB C 37 63.100 63.100 62.947 0.153 25493 643 1 2 . 1 1 37 37 SER H H 37 8.430 8.430 8.122 0.308 25493 644 1 2 . 1 1 38 38 SER N N 38 117.200 117.200 117.178 0.022 25493 645 1 2 . 1 1 38 38 SER HA H 38 4.290 4.290 4.430 -0.140 25493 646 1 2 . 1 1 38 38 SER C C 38 176.700 176.700 177.129 -0.429 25493 647 1 2 . 1 1 38 38 SER CA C 38 62.500 62.500 60.672 1.828 25493 648 1 2 . 1 1 38 38 SER CB C 38 63.100 63.100 63.747 -0.647 25493 649 1 2 . 1 1 38 38 SER H H 38 8.200 8.200 7.485 0.715 25493 650 1 2 . 1 1 39 39 LEU N N 39 121.600 121.600 122.522 -0.922 25493 651 1 2 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.225 0.145 25493 652 1 2 . 1 1 39 39 LEU C C 39 178.700 178.700 179.032 -0.332 25493 653 1 2 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.415 -0.315 25493 654 1 2 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.441 1.359 25493 655 1 2 . 1 1 39 39 LEU H H 39 8.150 8.150 8.629 -0.479 25493 656 1 2 . 1 1 40 40 GLU N N 40 118.600 118.600 120.000 -1.400 25493 657 1 2 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.197 -0.297 25493 658 1 2 . 1 1 40 40 GLU C C 40 178.100 178.100 177.352 0.748 25493 659 1 2 . 1 1 40 40 GLU CA C 40 58.700 58.700 59.178 -0.478 25493 660 1 2 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.520 0.780 25493 661 1 2 . 1 1 40 40 GLU H H 40 8.190 8.190 8.580 -0.390 25493 662 1 2 . 1 1 41 41 LYS N N 41 116.300 116.300 113.720 2.580 25493 663 1 2 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.502 -0.272 25493 664 1 2 . 1 1 41 41 LYS C C 41 175.800 175.800 175.630 0.170 25493 665 1 2 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.888 0.712 25493 666 1 2 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.636 -0.036 25493 667 1 2 . 1 1 41 41 LYS H H 41 7.440 7.440 7.695 -0.255 25493 668 1 2 . 1 1 42 42 TYR N N 42 121.400 121.400 124.525 -3.125 25493 669 1 2 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.803 0.057 25493 670 1 2 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.273 0.127 25493 671 1 2 . 1 1 42 42 TYR CB C 42 39.600 39.600 39.864 -0.264 25493 672 1 2 . 1 1 42 42 TYR H H 42 7.730 7.730 7.734 -0.004 25493 673 1 2 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.512 0.248 25493 674 1 2 . 1 1 43 43 PRO C C 43 175.800 175.800 175.309 0.491 25493 675 1 2 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.575 -0.075 25493 676 1 2 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.847 -0.547 25493 677 1 2 . 1 1 44 44 ILE N N 44 124.000 124.000 125.752 -1.752 25493 678 1 2 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.083 0.387 25493 679 1 2 . 1 1 44 44 ILE C C 44 174.300 174.300 176.006 -1.706 25493 680 1 2 . 1 1 44 44 ILE CA C 44 60.300 60.300 60.820 -0.520 25493 681 1 2 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.648 3.052 25493 682 1 2 . 1 1 44 44 ILE H H 44 8.200 8.200 7.819 0.381 25493 683 1 2 . 1 1 45 45 THR N N 45 112.200 112.200 117.543 -5.343 25493 684 1 2 . 1 1 45 45 THR HA H 45 4.530 4.530 4.720 -0.190 25493 685 1 2 . 1 1 45 45 THR C C 45 175.100 175.100 174.899 0.201 25493 686 1 2 . 1 1 45 45 THR CA C 45 59.800 59.800 59.885 -0.085 25493 687 1 2 . 1 1 45 45 THR CB C 45 72.300 72.300 71.412 0.888 25493 688 1 2 . 1 1 45 45 THR H H 45 7.330 7.330 7.902 -0.572 25493 689 1 2 . 1 1 46 46 LYS N N 46 121.500 121.500 124.456 -2.956 25493 690 1 2 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.915 -0.175 25493 691 1 2 . 1 1 46 46 LYS C C 46 178.200 178.200 178.480 -0.280 25493 692 1 2 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.357 0.643 25493 693 1 2 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.989 0.511 25493 694 1 2 . 1 1 46 46 LYS H H 46 9.090 9.090 8.791 0.299 25493 695 1 2 . 1 1 47 47 GLU N N 47 118.400 118.400 118.577 -0.177 25493 696 1 2 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.056 -0.036 25493 697 1 2 . 1 1 47 47 GLU C C 47 179.000 179.000 177.783 1.217 25493 698 1 2 . 1 1 47 47 GLU CA C 47 60.800 60.800 58.906 1.894 25493 699 1 2 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.333 -0.633 25493 700 1 2 . 1 1 47 47 GLU H H 47 9.010 9.010 8.727 0.283 25493 701 1 2 . 1 1 48 48 ALA N N 48 122.300 122.300 120.175 2.125 25493 702 1 2 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.371 -0.101 25493 703 1 2 . 1 1 48 48 ALA C C 48 181.900 181.900 178.507 3.393 25493 704 1 2 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.592 1.308 25493 705 1 2 . 1 1 48 48 ALA CB C 48 18.800 18.800 20.248 -1.448 25493 706 1 2 . 1 1 48 48 ALA H H 48 7.860 7.860 7.686 0.174 25493 707 1 2 . 1 1 49 49 LEU N N 49 122.200 122.200 122.332 -0.132 25493 708 1 2 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.129 -0.549 25493 709 1 2 . 1 1 49 49 LEU C C 49 179.800 179.800 177.865 1.935 25493 710 1 2 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.833 0.867 25493 711 1 2 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.595 -0.295 25493 712 1 2 . 1 1 49 49 LEU H H 49 8.260 8.260 8.145 0.115 25493 713 1 2 . 1 1 50 50 GLU N N 50 120.400 120.400 118.288 2.112 25493 714 1 2 . 1 1 50 50 GLU HA H 50 4.040 4.040 3.979 0.061 25493 715 1 2 . 1 1 50 50 GLU C C 50 178.900 178.900 178.554 0.346 25493 716 1 2 . 1 1 50 50 GLU CA C 50 59.200 59.200 59.358 -0.159 25493 717 1 2 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.145 0.055 25493 718 1 2 . 1 1 50 50 GLU H H 50 8.120 8.120 8.467 -0.347 25493 719 1 2 . 1 1 51 51 GLU N N 51 118.500 118.500 119.860 -1.360 25493 720 1 2 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.150 -0.100 25493 721 1 2 . 1 1 51 51 GLU C C 51 178.800 178.800 178.085 0.715 25493 722 1 2 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.442 0.758 25493 723 1 2 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.647 0.653 25493 724 1 2 . 1 1 51 51 GLU H H 51 8.200 8.200 8.208 -0.008 25493 725 1 2 . 1 1 52 52 THR N N 52 104.700 104.700 108.629 -3.929 25493 726 1 2 . 1 1 52 52 THR HA H 52 4.090 4.090 4.337 -0.247 25493 727 1 2 . 1 1 52 52 THR C C 52 175.400 175.400 174.749 0.651 25493 728 1 2 . 1 1 52 52 THR CA C 52 63.100 63.100 61.632 1.468 25493 729 1 2 . 1 1 52 52 THR CB C 52 71.800 71.800 69.312 2.488 25493 730 1 2 . 1 1 52 52 THR H H 52 7.840 7.840 7.925 -0.085 25493 731 1 2 . 1 1 53 53 ARG N N 53 114.400 114.400 119.095 -4.695 25493 732 1 2 . 1 1 53 53 ARG HA H 53 4.110 4.110 4.003 0.107 25493 733 1 2 . 1 1 53 53 ARG C C 53 177.200 177.200 175.504 1.696 25493 734 1 2 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.834 0.466 25493 735 1 2 . 1 1 53 53 ARG CB C 53 27.500 27.500 28.043 -0.543 25493 736 1 2 . 1 1 53 53 ARG H H 53 7.680 7.680 7.425 0.255 25493 737 1 2 . 1 1 54 54 LEU N N 54 117.200 117.200 119.408 -2.208 25493 738 1 2 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.324 -0.514 25493 739 1 2 . 1 1 54 54 LEU C C 54 178.200 178.200 177.651 0.549 25493 740 1 2 . 1 1 54 54 LEU CA C 54 58.700 58.700 57.215 1.485 25493 741 1 2 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.908 1.492 25493 742 1 2 . 1 1 54 54 LEU H H 54 7.460 7.460 7.988 -0.528 25493 743 1 2 . 1 1 55 55 GLY N N 55 105.900 105.900 106.778 -0.878 25493 744 1 2 . 1 1 55 55 GLY C C 55 175.500 175.500 175.769 -0.269 25493 745 1 2 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.279 -0.079 25493 746 1 2 . 1 1 55 55 GLY H H 55 8.650 8.650 8.230 0.420 25493 747 1 2 . 1 1 56 56 LYS N N 56 123.300 123.300 120.947 2.353 25493 748 1 2 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.092 0.018 25493 749 1 2 . 1 1 56 56 LYS C C 56 178.300 178.300 178.460 -0.160 25493 750 1 2 . 1 1 56 56 LYS CA C 56 59.200 59.200 59.065 0.135 25493 751 1 2 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.331 0.169 25493 752 1 2 . 1 1 56 56 LYS H H 56 7.210 7.210 8.043 -0.833 25493 753 1 2 . 1 1 57 57 LEU N N 57 117.700 117.700 120.092 -2.392 25493 754 1 2 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.132 0.048 25493 755 1 2 . 1 1 57 57 LEU C C 57 179.600 179.600 178.520 1.080 25493 756 1 2 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.600 0.100 25493 757 1 2 . 1 1 57 57 LEU CB C 57 43.400 43.400 41.924 1.476 25493 758 1 2 . 1 1 57 57 LEU H H 57 7.900 7.900 7.341 0.559 25493 759 1 2 . 1 1 58 58 ILE N N 58 116.600 116.600 119.585 -2.985 25493 760 1 2 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.649 0.031 25493 761 1 2 . 1 1 58 58 ILE C C 58 177.900 177.900 178.046 -0.146 25493 762 1 2 . 1 1 58 58 ILE CA C 58 63.100 63.100 64.348 -1.248 25493 763 1 2 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.643 -0.843 25493 764 1 2 . 1 1 58 58 ILE H H 58 8.640 8.640 7.871 0.769 25493 765 1 2 . 1 1 59 59 ASN N N 59 119.600 119.600 117.786 1.814 25493 766 1 2 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.490 -0.120 25493 767 1 2 . 1 1 59 59 ASN C C 59 176.700 176.700 176.504 0.196 25493 768 1 2 . 1 1 59 59 ASN CA C 59 57.000 57.000 56.098 0.902 25493 769 1 2 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.328 0.172 25493 770 1 2 . 1 1 59 59 ASN H H 59 8.120 8.120 8.518 -0.398 25493 771 1 2 . 1 1 60 60 ASP N N 60 119.600 119.600 119.535 0.065 25493 772 1 2 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.574 -0.194 25493 773 1 2 . 1 1 60 60 ASP C C 60 179.400 179.400 178.054 1.346 25493 774 1 2 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.853 0.747 25493 775 1 2 . 1 1 60 60 ASP CB C 60 39.600 39.600 41.855 -2.255 25493 776 1 2 . 1 1 60 60 ASP H H 60 8.490 8.490 7.749 0.741 25493 777 1 2 . 1 1 61 61 VAL N N 61 118.700 118.700 121.426 -2.726 25493 778 1 2 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.939 -0.189 25493 779 1 2 . 1 1 61 61 VAL C C 61 179.000 179.000 176.916 2.084 25493 780 1 2 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.274 0.526 25493 781 1 2 . 1 1 61 61 VAL CB C 61 32.500 32.500 32.002 0.498 25493 782 1 2 . 1 1 61 61 VAL H H 61 7.930 7.930 8.129 -0.199 25493 783 1 2 . 1 1 62 62 ARG N N 62 120.900 120.900 116.453 4.447 25493 784 1 2 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.551 -0.901 25493 785 1 2 . 1 1 62 62 ARG C C 62 177.100 177.100 176.519 0.581 25493 786 1 2 . 1 1 62 62 ARG CA C 62 59.200 59.200 55.768 3.432 25493 787 1 2 . 1 1 62 62 ARG CB C 62 29.800 29.800 28.979 0.821 25493 788 1 2 . 1 1 62 62 ARG H H 62 8.620 8.620 7.711 0.909 25493 789 1 2 . 1 1 63 63 LYS N N 63 115.700 115.700 117.614 -1.914 25493 790 1 2 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.349 -0.419 25493 791 1 2 . 1 1 63 63 LYS C C 63 177.600 177.600 177.614 -0.014 25493 792 1 2 . 1 1 63 63 LYS CA C 63 59.200 59.200 56.801 2.399 25493 793 1 2 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.380 0.620 25493 794 1 2 . 1 1 63 63 LYS H H 63 7.940 7.940 7.721 0.219 25493 795 1 2 . 1 1 64 64 LYS N N 64 115.300 115.300 120.140 -4.840 25493 796 1 2 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.246 0.184 25493 797 1 2 . 1 1 64 64 LYS C C 64 176.900 176.900 177.290 -0.390 25493 798 1 2 . 1 1 64 64 LYS CA C 64 55.400 55.400 57.294 -1.894 25493 799 1 2 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.321 0.779 25493 800 1 2 . 1 1 64 64 LYS H H 64 7.130 7.130 7.817 -0.688 25493 801 1 2 . 1 1 65 65 THR N N 65 113.500 113.500 114.175 -0.675 25493 802 1 2 . 1 1 65 65 THR HA H 65 4.520 4.520 4.541 -0.021 25493 803 1 2 . 1 1 65 65 THR C C 65 173.200 173.200 172.563 0.637 25493 804 1 2 . 1 1 65 65 THR CA C 65 62.000 62.000 60.491 1.509 25493 805 1 2 . 1 1 65 65 THR CB C 65 69.600 69.600 71.060 -1.460 25493 806 1 2 . 1 1 65 65 THR H H 65 7.250 7.250 8.209 -0.959 25493 807 1 2 . 1 1 66 66 LYS N N 66 125.700 125.700 123.672 2.028 25493 808 1 2 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.489 0.021 25493 809 1 2 . 1 1 66 66 LYS C C 66 175.900 175.900 175.023 0.877 25493 810 1 2 . 1 1 66 66 LYS CA C 66 55.400 55.400 54.633 0.767 25493 811 1 2 . 1 1 66 66 LYS CB C 66 32.000 32.000 32.066 -0.065 25493 812 1 2 . 1 1 66 66 LYS H H 66 8.500 8.500 8.555 -0.055 25493 813 1 2 . 1 1 67 67 ASN N N 67 122.100 122.100 119.291 2.809 25493 814 1 2 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.413 0.277 25493 815 1 2 . 1 1 67 67 ASN C C 67 174.400 174.400 176.368 -1.968 25493 816 1 2 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.765 -0.565 25493 817 1 2 . 1 1 67 67 ASN CB C 67 39.000 39.000 38.378 0.622 25493 818 1 2 . 1 1 67 67 ASN H H 67 8.570 8.570 8.135 0.435 25493 819 1 2 . 1 1 68 68 GLU N N 68 128.400 128.400 123.969 4.431 25493 820 1 2 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.849 0.141 25493 821 1 2 . 1 1 68 68 GLU C C 68 178.500 178.500 177.004 1.496 25493 822 1 2 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.532 -0.232 25493 823 1 2 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.946 -0.146 25493 824 1 2 . 1 1 68 68 GLU H H 68 8.850 8.850 8.566 0.284 25493 825 1 2 . 1 1 69 69 GLU N N 69 120.300 120.300 116.328 3.972 25493 826 1 2 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.353 -0.323 25493 827 1 2 . 1 1 69 69 GLU C C 69 179.000 179.000 178.093 0.907 25493 828 1 2 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.343 1.857 25493 829 1 2 . 1 1 69 69 GLU CB C 69 29.200 29.200 29.449 -0.249 25493 830 1 2 . 1 1 69 69 GLU H H 69 8.190 8.190 8.127 0.063 25493 831 1 2 . 1 1 70 70 LEU N N 70 121.300 121.300 122.444 -1.144 25493 832 1 2 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.198 -0.328 25493 833 1 2 . 1 1 70 70 LEU C C 70 178.500 178.500 178.418 0.082 25493 834 1 2 . 1 1 70 70 LEU CA C 70 58.200 58.200 56.965 1.235 25493 835 1 2 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.708 -1.008 25493 836 1 2 . 1 1 70 70 LEU H H 70 8.120 8.120 7.603 0.517 25493 837 1 2 . 1 1 71 71 ALA N N 71 121.000 121.000 120.321 0.679 25493 838 1 2 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.977 -0.237 25493 839 1 2 . 1 1 71 71 ALA C C 71 180.100 180.100 177.863 2.237 25493 840 1 2 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.111 1.389 25493 841 1 2 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.779 -1.079 25493 842 1 2 . 1 1 71 71 ALA H H 71 8.330 8.330 8.630 -0.300 25493 843 1 2 . 1 1 72 72 LYS N N 72 118.200 118.200 113.844 4.356 25493 844 1 2 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.434 -0.474 25493 845 1 2 . 1 1 72 72 LYS C C 72 179.800 179.800 178.882 0.918 25493 846 1 2 . 1 1 72 72 LYS CA C 72 59.800 59.800 56.732 3.068 25493 847 1 2 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.327 0.173 25493 848 1 2 . 1 1 72 72 LYS H H 72 8.150 8.150 7.578 0.572 25493 849 1 2 . 1 1 73 73 ARG N N 73 120.600 120.600 122.478 -1.878 25493 850 1 2 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.020 -0.030 25493 851 1 2 . 1 1 73 73 ARG C C 73 180.100 180.100 177.577 2.523 25493 852 1 2 . 1 1 73 73 ARG CA C 73 59.300 59.300 59.007 0.293 25493 853 1 2 . 1 1 73 73 ARG CB C 73 32.000 32.000 29.978 2.022 25493 854 1 2 . 1 1 73 73 ARG H H 73 8.140 8.140 8.789 -0.649 25493 855 1 2 . 1 1 74 74 ALA N N 74 121.700 121.700 120.068 1.632 25493 856 1 2 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.279 -0.499 25493 857 1 2 . 1 1 74 74 ALA C C 74 178.100 178.100 178.913 -0.813 25493 858 1 2 . 1 1 74 74 ALA CA C 74 54.900 54.900 54.667 0.233 25493 859 1 2 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.381 -1.181 25493 860 1 2 . 1 1 74 74 ALA H H 74 8.970 8.970 7.838 1.132 25493 861 1 2 . 1 1 75 75 LYS N N 75 117.900 117.900 114.187 3.713 25493 862 1 2 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.413 -0.673 25493 863 1 2 . 1 1 75 75 LYS C C 75 178.300 178.300 176.932 1.368 25493 864 1 2 . 1 1 75 75 LYS CA C 75 60.300 60.300 56.540 3.760 25493 865 1 2 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.779 -0.279 25493 866 1 2 . 1 1 75 75 LYS H H 75 8.200 8.200 7.628 0.572 25493 867 1 2 . 1 1 76 76 LYS N N 76 118.800 118.800 118.979 -0.179 25493 868 1 2 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.342 -0.452 25493 869 1 2 . 1 1 76 76 LYS C C 76 179.200 179.200 178.175 1.025 25493 870 1 2 . 1 1 76 76 LYS CA C 76 59.800 59.800 56.894 2.906 25493 871 1 2 . 1 1 76 76 LYS CB C 76 32.400 32.400 33.355 -0.955 25493 872 1 2 . 1 1 76 76 LYS H H 76 7.630 7.630 7.530 0.100 25493 873 1 2 . 1 1 77 77 LEU N N 77 121.400 121.400 121.703 -0.303 25493 874 1 2 . 1 1 77 77 LEU HA H 77 3.630 3.630 4.109 -0.479 25493 875 1 2 . 1 1 77 77 LEU C C 77 178.200 178.200 177.938 0.262 25493 876 1 2 . 1 1 77 77 LEU CA C 77 57.600 57.600 55.802 1.798 25493 877 1 2 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.209 -0.409 25493 878 1 2 . 1 1 77 77 LEU H H 77 7.430 7.430 8.320 -0.890 25493 879 1 2 . 1 1 78 78 LEU N N 78 117.600 117.600 120.244 -2.644 25493 880 1 2 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.764 -0.004 25493 881 1 2 . 1 1 78 78 LEU C C 78 180.300 180.300 178.455 1.845 25493 882 1 2 . 1 1 78 78 LEU CA C 78 58.100 58.100 58.078 0.022 25493 883 1 2 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.814 0.386 25493 884 1 2 . 1 1 78 78 LEU H H 78 7.960 7.960 7.949 0.011 25493 885 1 2 . 1 1 79 79 ARG N N 79 119.800 119.800 116.871 2.929 25493 886 1 2 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.893 0.217 25493 887 1 2 . 1 1 79 79 ARG C C 79 179.500 179.500 177.709 1.791 25493 888 1 2 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.315 0.885 25493 889 1 2 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.623 0.077 25493 890 1 2 . 1 1 79 79 ARG H H 79 8.110 8.110 7.643 0.467 25493 891 1 2 . 1 1 80 80 SER N N 80 117.800 117.800 113.857 3.943 25493 892 1 2 . 1 1 80 80 SER HA H 80 4.310 4.310 4.129 0.181 25493 893 1 2 . 1 1 80 80 SER C C 80 177.000 177.000 175.084 1.916 25493 894 1 2 . 1 1 80 80 SER CA C 80 61.500 61.500 59.897 1.603 25493 895 1 2 . 1 1 80 80 SER CB C 80 62.500 62.500 63.168 -0.668 25493 896 1 2 . 1 1 80 80 SER H H 80 7.870 7.870 7.305 0.565 25493 897 1 2 . 1 1 81 81 TRP N N 81 123.300 123.300 117.274 6.026 25493 898 1 2 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.040 -0.230 25493 899 1 2 . 1 1 81 81 TRP C C 81 178.200 178.200 177.048 1.152 25493 900 1 2 . 1 1 81 81 TRP CA C 81 56.500 56.500 56.040 0.460 25493 901 1 2 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.866 0.334 25493 902 1 2 . 1 1 81 81 TRP H H 81 8.010 8.010 7.254 0.756 25493 903 1 2 . 1 1 82 82 GLN N N 82 120.400 120.400 123.254 -2.854 25493 904 1 2 . 1 1 82 82 GLN HA H 82 4.080 4.080 3.978 0.102 25493 905 1 2 . 1 1 82 82 GLN C C 82 177.600 177.600 177.027 0.573 25493 906 1 2 . 1 1 82 82 GLN CA C 82 59.200 59.200 60.069 -0.869 25493 907 1 2 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.555 -0.355 25493 908 1 2 . 1 1 82 82 GLN H H 82 8.080 8.080 8.468 -0.388 25493 909 1 2 . 1 1 83 83 LYS N N 83 115.600 115.600 118.131 -2.531 25493 910 1 2 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.131 0.089 25493 911 1 2 . 1 1 83 83 LYS C C 83 177.400 177.400 177.631 -0.231 25493 912 1 2 . 1 1 83 83 LYS CA C 83 57.600 57.600 58.652 -1.052 25493 913 1 2 . 1 1 83 83 LYS CB C 83 32.500 32.500 31.934 0.566 25493 914 1 2 . 1 1 83 83 LYS H H 83 7.770 7.770 8.380 -0.610 25493 915 1 2 . 1 1 84 84 LEU N N 84 117.900 117.900 116.731 1.169 25493 916 1 2 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.549 -0.269 25493 917 1 2 . 1 1 84 84 LEU C C 84 177.500 177.500 177.270 0.230 25493 918 1 2 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.549 0.451 25493 919 1 2 . 1 1 84 84 LEU CB C 84 42.900 42.900 43.446 -0.546 25493 920 1 2 . 1 1 84 84 LEU H H 84 7.670 7.670 7.995 -0.325 25493 921 1 2 . 1 1 85 85 ILE N N 85 115.400 115.400 113.170 2.230 25493 922 1 2 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.575 -0.445 25493 923 1 2 . 1 1 85 85 ILE C C 85 175.100 175.100 176.354 -1.254 25493 924 1 2 . 1 1 85 85 ILE CA C 85 61.400 61.400 61.625 -0.225 25493 925 1 2 . 1 1 85 85 ILE CB C 85 39.600 39.600 39.501 0.099 25493 926 1 2 . 1 1 85 85 ILE H H 85 7.490 7.490 7.421 0.069 25493 927 1 3 . 1 1 7 7 ALA N N 7 123.700 123.700 122.499 1.201 25493 928 1 3 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.397 0.023 25493 929 1 3 . 1 1 7 7 ALA C C 7 176.700 176.700 175.299 1.401 25493 930 1 3 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.539 0.061 25493 931 1 3 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.814 -0.914 25493 932 1 3 . 1 1 7 7 ALA H H 7 8.040 8.040 7.840 0.200 25493 933 1 3 . 1 1 8 8 SER N N 8 117.100 117.100 116.419 0.681 25493 934 1 3 . 1 1 8 8 SER HA H 8 4.750 4.750 4.176 0.574 25493 935 1 3 . 1 1 8 8 SER CA C 8 56.000 56.000 56.895 -0.895 25493 936 1 3 . 1 1 8 8 SER CB C 8 63.300 63.300 63.575 -0.275 25493 937 1 3 . 1 1 8 8 SER H H 8 8.430 8.430 8.381 0.049 25493 938 1 3 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.943 -0.003 25493 939 1 3 . 1 1 9 9 PRO C C 9 177.400 177.400 177.925 -0.525 25493 940 1 3 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.279 0.520 25493 941 1 3 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.630 0.370 25493 942 1 3 . 1 1 10 10 GLN N N 10 116.000 116.000 116.442 -0.442 25493 943 1 3 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.028 -0.368 25493 944 1 3 . 1 1 10 10 GLN C C 10 177.500 177.500 178.313 -0.813 25493 945 1 3 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.456 0.844 25493 946 1 3 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.710 -0.210 25493 947 1 3 . 1 1 10 10 GLN H H 10 8.350 8.350 8.451 -0.101 25493 948 1 3 . 1 1 11 11 GLN N N 11 119.200 119.200 119.082 0.118 25493 949 1 3 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.110 -0.030 25493 950 1 3 . 1 1 11 11 GLN C C 11 179.600 179.600 178.298 1.302 25493 951 1 3 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.443 0.457 25493 952 1 3 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.624 -0.024 25493 953 1 3 . 1 1 11 11 GLN H H 11 7.680 7.680 7.636 0.044 25493 954 1 3 . 1 1 12 12 ILE N N 12 121.300 121.300 114.374 6.926 25493 955 1 3 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.883 -0.353 25493 956 1 3 . 1 1 12 12 ILE C C 12 177.200 177.200 177.335 -0.135 25493 957 1 3 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.732 1.568 25493 958 1 3 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.209 0.191 25493 959 1 3 . 1 1 12 12 ILE H H 12 8.190 8.190 7.668 0.522 25493 960 1 3 . 1 1 13 13 ARG N N 13 120.200 120.200 122.125 -1.925 25493 961 1 3 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.933 -0.193 25493 962 1 3 . 1 1 13 13 ARG C C 13 177.700 177.700 177.974 -0.274 25493 963 1 3 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.730 0.570 25493 964 1 3 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.881 -1.681 25493 965 1 3 . 1 1 13 13 ARG H H 13 8.320 8.320 8.003 0.317 25493 966 1 3 . 1 1 14 14 ASP N N 14 119.200 119.200 118.036 1.164 25493 967 1 3 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.535 -0.205 25493 968 1 3 . 1 1 14 14 ASP C C 14 178.800 178.800 177.052 1.748 25493 969 1 3 . 1 1 14 14 ASP CA C 14 58.000 58.000 56.092 1.908 25493 970 1 3 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.302 -0.702 25493 971 1 3 . 1 1 14 14 ASP H H 14 8.280 8.280 8.038 0.242 25493 972 1 3 . 1 1 15 15 ARG N N 15 120.400 120.400 118.157 2.243 25493 973 1 3 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.426 -0.456 25493 974 1 3 . 1 1 15 15 ARG C C 15 179.300 179.300 176.920 2.380 25493 975 1 3 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.459 2.741 25493 976 1 3 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.731 -1.731 25493 977 1 3 . 1 1 15 15 ARG H H 15 7.980 7.980 7.504 0.476 25493 978 1 3 . 1 1 16 16 LEU N N 16 120.500 120.500 120.243 0.257 25493 979 1 3 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.423 -0.453 25493 980 1 3 . 1 1 16 16 LEU C C 16 178.500 178.500 177.226 1.274 25493 981 1 3 . 1 1 16 16 LEU CA C 16 58.100 58.100 57.363 0.737 25493 982 1 3 . 1 1 16 16 LEU CB C 16 41.200 41.200 43.204 -2.004 25493 983 1 3 . 1 1 16 16 LEU H H 16 8.210 8.210 8.396 -0.186 25493 984 1 3 . 1 1 17 17 LEU N N 17 116.100 116.100 119.817 -3.717 25493 985 1 3 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.104 -0.104 25493 986 1 3 . 1 1 17 17 LEU C C 17 179.400 179.400 179.111 0.289 25493 987 1 3 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.892 -0.292 25493 988 1 3 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.484 0.216 25493 989 1 3 . 1 1 17 17 LEU H H 17 8.310 8.310 8.495 -0.185 25493 990 1 3 . 1 1 18 18 GLN N N 18 114.300 114.300 116.719 -2.419 25493 991 1 3 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.130 0.110 25493 992 1 3 . 1 1 18 18 GLN C C 18 176.700 176.700 176.468 0.232 25493 993 1 3 . 1 1 18 18 GLN CA C 18 57.000 57.000 56.791 0.209 25493 994 1 3 . 1 1 18 18 GLN CB C 18 28.800 28.800 27.859 0.941 25493 995 1 3 . 1 1 18 18 GLN H H 18 7.460 7.460 7.882 -0.422 25493 996 1 3 . 1 1 19 19 ALA N N 19 120.800 120.800 119.593 1.207 25493 997 1 3 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.211 0.279 25493 998 1 3 . 1 1 19 19 ALA C C 19 176.000 176.000 177.461 -1.461 25493 999 1 3 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.520 -0.920 25493 1000 1 3 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.162 2.938 25493 1001 1 3 . 1 1 19 19 ALA H H 19 7.770 7.770 8.144 -0.374 25493 1002 1 3 . 1 1 20 20 ILE N N 20 113.500 113.500 111.797 1.703 25493 1003 1 3 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.533 0.667 25493 1004 1 3 . 1 1 20 20 ILE C C 20 173.600 173.600 174.035 -0.435 25493 1005 1 3 . 1 1 20 20 ILE CA C 20 59.200 59.200 59.106 0.094 25493 1006 1 3 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.652 2.148 25493 1007 1 3 . 1 1 20 20 ILE H H 20 7.360 7.360 7.226 0.134 25493 1008 1 3 . 1 1 21 21 ASP N N 21 122.500 122.500 118.861 3.639 25493 1009 1 3 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.084 -0.104 25493 1010 1 3 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.509 0.591 25493 1011 1 3 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.948 -0.748 25493 1012 1 3 . 1 1 21 21 ASP H H 21 8.530 8.530 8.300 0.230 25493 1013 1 3 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.435 0.015 25493 1014 1 3 . 1 1 22 22 PRO C C 22 177.500 177.500 176.977 0.523 25493 1015 1 3 . 1 1 22 22 PRO CA C 22 65.200 65.200 63.943 1.257 25493 1016 1 3 . 1 1 22 22 PRO CB C 22 31.900 31.900 31.988 -0.087 25493 1017 1 3 . 1 1 23 23 GLN N N 23 115.900 115.900 118.596 -2.696 25493 1018 1 3 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.219 0.201 25493 1019 1 3 . 1 1 23 23 GLN C C 23 174.800 174.800 175.782 -0.982 25493 1020 1 3 . 1 1 23 23 GLN CA C 23 55.400 55.400 57.819 -2.419 25493 1021 1 3 . 1 1 23 23 GLN CB C 23 28.700 28.700 29.601 -0.901 25493 1022 1 3 . 1 1 23 23 GLN H H 23 7.950 7.950 7.484 0.466 25493 1023 1 3 . 1 1 24 24 SER N N 24 107.900 107.900 108.857 -0.957 25493 1024 1 3 . 1 1 24 24 SER HA H 24 3.730 3.730 4.617 -0.887 25493 1025 1 3 . 1 1 24 24 SER C C 24 173.200 173.200 173.791 -0.591 25493 1026 1 3 . 1 1 24 24 SER CA C 24 60.300 60.300 57.679 2.621 25493 1027 1 3 . 1 1 24 24 SER CB C 24 60.300 60.300 64.183 -3.883 25493 1028 1 3 . 1 1 24 24 SER H H 24 8.270 8.270 8.057 0.213 25493 1029 1 3 . 1 1 25 25 ASN N N 25 117.000 117.000 120.863 -3.863 25493 1030 1 3 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.788 -0.258 25493 1031 1 3 . 1 1 25 25 ASN C C 25 175.600 175.600 174.198 1.402 25493 1032 1 3 . 1 1 25 25 ASN CA C 25 52.800 52.800 53.099 -0.299 25493 1033 1 3 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.798 -1.298 25493 1034 1 3 . 1 1 25 25 ASN H H 25 8.500 8.500 7.586 0.914 25493 1035 1 3 . 1 1 26 26 ILE N N 26 122.400 122.400 119.459 2.941 25493 1036 1 3 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.142 -0.322 25493 1037 1 3 . 1 1 26 26 ILE C C 26 176.400 176.400 177.343 -0.943 25493 1038 1 3 . 1 1 26 26 ILE CA C 26 63.600 63.600 61.410 2.190 25493 1039 1 3 . 1 1 26 26 ILE CB C 26 38.600 38.600 38.913 -0.313 25493 1040 1 3 . 1 1 26 26 ILE H H 26 8.890 8.890 8.457 0.433 25493 1041 1 3 . 1 1 27 27 ARG N N 27 127.600 127.600 118.296 9.304 25493 1042 1 3 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.882 0.648 25493 1043 1 3 . 1 1 27 27 ARG C C 27 176.000 176.000 176.599 -0.599 25493 1044 1 3 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.946 -2.446 25493 1045 1 3 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.924 2.476 25493 1046 1 3 . 1 1 27 27 ARG H H 27 9.070 9.070 8.410 0.660 25493 1047 1 3 . 1 1 28 28 ASN N N 28 117.300 117.300 118.790 -1.490 25493 1048 1 3 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.943 -0.013 25493 1049 1 3 . 1 1 28 28 ASN C C 28 174.300 174.300 175.034 -0.734 25493 1050 1 3 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.718 -0.118 25493 1051 1 3 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.340 0.660 25493 1052 1 3 . 1 1 28 28 ASN H H 28 7.510 7.510 8.383 -0.873 25493 1053 1 3 . 1 1 29 29 MET N N 29 125.700 125.700 121.665 4.035 25493 1054 1 3 . 1 1 29 29 MET HA H 29 4.190 4.190 4.131 0.059 25493 1055 1 3 . 1 1 29 29 MET C C 29 177.300 177.300 176.774 0.526 25493 1056 1 3 . 1 1 29 29 MET CA C 29 57.600 57.600 59.129 -1.529 25493 1057 1 3 . 1 1 29 29 MET CB C 29 31.400 31.400 32.665 -1.265 25493 1058 1 3 . 1 1 29 29 MET H H 29 8.940 8.940 8.165 0.775 25493 1059 1 3 . 1 1 30 30 VAL N N 30 118.600 118.600 118.364 0.236 25493 1060 1 3 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.754 -0.234 25493 1061 1 3 . 1 1 30 30 VAL C C 30 178.800 178.800 176.714 2.086 25493 1062 1 3 . 1 1 30 30 VAL CA C 30 66.900 66.900 64.853 2.047 25493 1063 1 3 . 1 1 30 30 VAL CB C 30 31.500 31.500 31.226 0.274 25493 1064 1 3 . 1 1 30 30 VAL H H 30 7.910 7.910 7.836 0.074 25493 1065 1 3 . 1 1 31 31 ALA N N 31 120.600 120.600 120.397 0.203 25493 1066 1 3 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.204 -0.074 25493 1067 1 3 . 1 1 31 31 ALA C C 31 180.300 180.300 179.626 0.674 25493 1068 1 3 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.812 -0.512 25493 1069 1 3 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.731 0.169 25493 1070 1 3 . 1 1 31 31 ALA H H 31 7.270 7.270 7.889 -0.619 25493 1071 1 3 . 1 1 32 32 VAL N N 32 117.900 117.900 119.528 -1.628 25493 1072 1 3 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.784 -0.404 25493 1073 1 3 . 1 1 32 32 VAL C C 32 177.700 177.700 177.237 0.463 25493 1074 1 3 . 1 1 32 32 VAL CA C 32 67.700 67.700 65.240 2.460 25493 1075 1 3 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.255 -1.355 25493 1076 1 3 . 1 1 32 32 VAL H H 32 7.640 7.640 7.342 0.298 25493 1077 1 3 . 1 1 33 33 LEU N N 33 119.900 119.900 119.335 0.565 25493 1078 1 3 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.113 -0.203 25493 1079 1 3 . 1 1 33 33 LEU C C 33 179.900 179.900 178.965 0.935 25493 1080 1 3 . 1 1 33 33 LEU CA C 33 58.300 58.300 57.756 0.544 25493 1081 1 3 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.247 -0.547 25493 1082 1 3 . 1 1 33 33 LEU H H 33 8.450 8.450 8.000 0.450 25493 1083 1 3 . 1 1 34 34 GLU N N 34 121.200 121.200 119.635 1.565 25493 1084 1 3 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.070 -0.010 25493 1085 1 3 . 1 1 34 34 GLU C C 34 179.800 179.800 178.508 1.292 25493 1086 1 3 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.727 0.073 25493 1087 1 3 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.653 -0.353 25493 1088 1 3 . 1 1 34 34 GLU H H 34 8.080 8.080 7.605 0.475 25493 1089 1 3 . 1 1 35 35 VAL N N 35 122.400 122.400 120.736 1.664 25493 1090 1 3 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.824 -0.224 25493 1091 1 3 . 1 1 35 35 VAL C C 35 177.900 177.900 177.475 0.425 25493 1092 1 3 . 1 1 35 35 VAL CA C 35 67.100 67.100 66.506 0.594 25493 1093 1 3 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.583 -0.683 25493 1094 1 3 . 1 1 35 35 VAL H H 35 8.060 8.060 7.620 0.440 25493 1095 1 3 . 1 1 36 36 ILE N N 36 119.800 119.800 120.375 -0.575 25493 1096 1 3 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.759 -0.199 25493 1097 1 3 . 1 1 36 36 ILE C C 36 177.500 177.500 178.196 -0.696 25493 1098 1 3 . 1 1 36 36 ILE CA C 36 64.200 64.200 64.362 -0.162 25493 1099 1 3 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.587 -0.287 25493 1100 1 3 . 1 1 36 36 ILE H H 36 8.420 8.420 7.436 0.984 25493 1101 1 3 . 1 1 37 37 SER N N 37 114.700 114.700 113.468 1.232 25493 1102 1 3 . 1 1 37 37 SER HA H 37 4.290 4.290 4.245 0.045 25493 1103 1 3 . 1 1 37 37 SER C C 37 177.300 177.300 175.034 2.266 25493 1104 1 3 . 1 1 37 37 SER CA C 37 61.900 61.900 60.743 1.157 25493 1105 1 3 . 1 1 37 37 SER CB C 37 63.100 63.100 62.904 0.196 25493 1106 1 3 . 1 1 37 37 SER H H 37 8.430 8.430 8.125 0.305 25493 1107 1 3 . 1 1 38 38 SER N N 38 117.200 117.200 115.802 1.398 25493 1108 1 3 . 1 1 38 38 SER HA H 38 4.290 4.290 4.478 -0.188 25493 1109 1 3 . 1 1 38 38 SER C C 38 176.700 176.700 176.492 0.208 25493 1110 1 3 . 1 1 38 38 SER CA C 38 62.500 62.500 61.147 1.353 25493 1111 1 3 . 1 1 38 38 SER CB C 38 63.100 63.100 63.914 -0.814 25493 1112 1 3 . 1 1 38 38 SER H H 38 8.200 8.200 7.344 0.856 25493 1113 1 3 . 1 1 39 39 LEU N N 39 121.600 121.600 122.861 -1.261 25493 1114 1 3 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.218 0.152 25493 1115 1 3 . 1 1 39 39 LEU C C 39 178.700 178.700 178.871 -0.171 25493 1116 1 3 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.709 -0.609 25493 1117 1 3 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.582 1.218 25493 1118 1 3 . 1 1 39 39 LEU H H 39 8.150 8.150 8.704 -0.554 25493 1119 1 3 . 1 1 40 40 GLU N N 40 118.600 118.600 118.999 -0.399 25493 1120 1 3 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.312 -0.412 25493 1121 1 3 . 1 1 40 40 GLU C C 40 178.100 178.100 177.050 1.050 25493 1122 1 3 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.455 0.245 25493 1123 1 3 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.232 1.068 25493 1124 1 3 . 1 1 40 40 GLU H H 40 8.190 8.190 8.551 -0.361 25493 1125 1 3 . 1 1 41 41 LYS N N 41 116.300 116.300 116.034 0.266 25493 1126 1 3 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.525 -0.295 25493 1127 1 3 . 1 1 41 41 LYS C C 41 175.800 175.800 175.330 0.470 25493 1128 1 3 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.457 1.143 25493 1129 1 3 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.058 0.542 25493 1130 1 3 . 1 1 41 41 LYS H H 41 7.440 7.440 7.812 -0.372 25493 1131 1 3 . 1 1 42 42 TYR N N 42 121.400 121.400 123.748 -2.348 25493 1132 1 3 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.811 0.049 25493 1133 1 3 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.430 -0.030 25493 1134 1 3 . 1 1 42 42 TYR CB C 42 39.600 39.600 40.725 -1.125 25493 1135 1 3 . 1 1 42 42 TYR H H 42 7.730 7.730 8.018 -0.288 25493 1136 1 3 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.551 0.209 25493 1137 1 3 . 1 1 43 43 PRO C C 43 175.800 175.800 175.601 0.199 25493 1138 1 3 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.503 -0.003 25493 1139 1 3 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.664 -0.364 25493 1140 1 3 . 1 1 44 44 ILE N N 44 124.000 124.000 124.847 -0.847 25493 1141 1 3 . 1 1 44 44 ILE HA H 44 4.470 4.470 3.914 0.556 25493 1142 1 3 . 1 1 44 44 ILE C C 44 174.300 174.300 176.105 -1.805 25493 1143 1 3 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.050 -0.750 25493 1144 1 3 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.475 3.225 25493 1145 1 3 . 1 1 44 44 ILE H H 44 8.200 8.200 7.638 0.562 25493 1146 1 3 . 1 1 45 45 THR N N 45 112.200 112.200 114.081 -1.881 25493 1147 1 3 . 1 1 45 45 THR HA H 45 4.530 4.530 4.737 -0.207 25493 1148 1 3 . 1 1 45 45 THR C C 45 175.100 175.100 174.850 0.250 25493 1149 1 3 . 1 1 45 45 THR CA C 45 59.800 59.800 59.757 0.043 25493 1150 1 3 . 1 1 45 45 THR CB C 45 72.300 72.300 71.124 1.176 25493 1151 1 3 . 1 1 45 45 THR H H 45 7.330 7.330 7.754 -0.424 25493 1152 1 3 . 1 1 46 46 LYS N N 46 121.500 121.500 123.336 -1.836 25493 1153 1 3 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.817 -0.077 25493 1154 1 3 . 1 1 46 46 LYS C C 46 178.200 178.200 178.357 -0.157 25493 1155 1 3 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.268 0.732 25493 1156 1 3 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.530 0.970 25493 1157 1 3 . 1 1 46 46 LYS H H 46 9.090 9.090 8.825 0.265 25493 1158 1 3 . 1 1 47 47 GLU N N 47 118.400 118.400 118.973 -0.573 25493 1159 1 3 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.025 -0.005 25493 1160 1 3 . 1 1 47 47 GLU C C 47 179.000 179.000 178.125 0.875 25493 1161 1 3 . 1 1 47 47 GLU CA C 47 60.800 60.800 59.105 1.695 25493 1162 1 3 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.232 -0.532 25493 1163 1 3 . 1 1 47 47 GLU H H 47 9.010 9.010 8.765 0.245 25493 1164 1 3 . 1 1 48 48 ALA N N 48 122.300 122.300 120.775 1.525 25493 1165 1 3 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.337 -0.067 25493 1166 1 3 . 1 1 48 48 ALA C C 48 181.900 181.900 179.168 2.732 25493 1167 1 3 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.757 1.143 25493 1168 1 3 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.558 -0.758 25493 1169 1 3 . 1 1 48 48 ALA H H 48 7.860 7.860 7.617 0.243 25493 1170 1 3 . 1 1 49 49 LEU N N 49 122.200 122.200 121.867 0.333 25493 1171 1 3 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.141 -0.561 25493 1172 1 3 . 1 1 49 49 LEU C C 49 179.800 179.800 178.047 1.753 25493 1173 1 3 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.642 1.058 25493 1174 1 3 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.646 -0.346 25493 1175 1 3 . 1 1 49 49 LEU H H 49 8.260 8.260 8.206 0.054 25493 1176 1 3 . 1 1 50 50 GLU N N 50 120.400 120.400 117.685 2.715 25493 1177 1 3 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.037 0.003 25493 1178 1 3 . 1 1 50 50 GLU C C 50 178.900 178.900 178.517 0.383 25493 1179 1 3 . 1 1 50 50 GLU CA C 50 59.200 59.200 58.957 0.243 25493 1180 1 3 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.270 -0.070 25493 1181 1 3 . 1 1 50 50 GLU H H 50 8.120 8.120 8.619 -0.499 25493 1182 1 3 . 1 1 51 51 GLU N N 51 118.500 118.500 120.907 -2.407 25493 1183 1 3 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.131 -0.081 25493 1184 1 3 . 1 1 51 51 GLU C C 51 178.800 178.800 178.637 0.163 25493 1185 1 3 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.739 0.461 25493 1186 1 3 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.642 0.658 25493 1187 1 3 . 1 1 51 51 GLU H H 51 8.200 8.200 8.265 -0.065 25493 1188 1 3 . 1 1 52 52 THR N N 52 104.700 104.700 109.810 -5.110 25493 1189 1 3 . 1 1 52 52 THR HA H 52 4.090 4.090 4.239 -0.149 25493 1190 1 3 . 1 1 52 52 THR C C 52 175.400 175.400 175.207 0.193 25493 1191 1 3 . 1 1 52 52 THR CA C 52 63.100 63.100 62.905 0.195 25493 1192 1 3 . 1 1 52 52 THR CB C 52 71.800 71.800 69.203 2.597 25493 1193 1 3 . 1 1 52 52 THR H H 52 7.840 7.840 8.057 -0.217 25493 1194 1 3 . 1 1 53 53 ARG N N 53 114.400 114.400 119.848 -5.448 25493 1195 1 3 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.926 0.184 25493 1196 1 3 . 1 1 53 53 ARG C C 53 177.200 177.200 176.227 0.973 25493 1197 1 3 . 1 1 53 53 ARG CA C 53 57.300 57.300 57.135 0.165 25493 1198 1 3 . 1 1 53 53 ARG CB C 53 27.500 27.500 28.088 -0.588 25493 1199 1 3 . 1 1 53 53 ARG H H 53 7.680 7.680 7.610 0.070 25493 1200 1 3 . 1 1 54 54 LEU N N 54 117.200 117.200 118.897 -1.697 25493 1201 1 3 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.059 -0.249 25493 1202 1 3 . 1 1 54 54 LEU C C 54 178.200 178.200 178.326 -0.126 25493 1203 1 3 . 1 1 54 54 LEU CA C 54 58.700 58.700 57.894 0.806 25493 1204 1 3 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.607 1.793 25493 1205 1 3 . 1 1 54 54 LEU H H 54 7.460 7.460 7.564 -0.104 25493 1206 1 3 . 1 1 55 55 GLY N N 55 105.900 105.900 105.699 0.201 25493 1207 1 3 . 1 1 55 55 GLY C C 55 175.500 175.500 175.673 -0.173 25493 1208 1 3 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.022 0.178 25493 1209 1 3 . 1 1 55 55 GLY H H 55 8.650 8.650 8.501 0.149 25493 1210 1 3 . 1 1 56 56 LYS N N 56 123.300 123.300 122.142 1.158 25493 1211 1 3 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.070 0.040 25493 1212 1 3 . 1 1 56 56 LYS C C 56 178.300 178.300 177.799 0.501 25493 1213 1 3 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.924 0.276 25493 1214 1 3 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.380 0.120 25493 1215 1 3 . 1 1 56 56 LYS H H 56 7.210 7.210 7.488 -0.278 25493 1216 1 3 . 1 1 57 57 LEU N N 57 117.700 117.700 119.092 -1.392 25493 1217 1 3 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.101 0.079 25493 1218 1 3 . 1 1 57 57 LEU C C 57 179.600 179.600 178.828 0.772 25493 1219 1 3 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.520 0.180 25493 1220 1 3 . 1 1 57 57 LEU CB C 57 43.400 43.400 42.294 1.106 25493 1221 1 3 . 1 1 57 57 LEU H H 57 7.900 7.900 7.463 0.437 25493 1222 1 3 . 1 1 58 58 ILE N N 58 116.600 116.600 119.086 -2.486 25493 1223 1 3 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.740 -0.060 25493 1224 1 3 . 1 1 58 58 ILE C C 58 177.900 177.900 177.585 0.315 25493 1225 1 3 . 1 1 58 58 ILE CA C 58 63.100 63.100 63.996 -0.896 25493 1226 1 3 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.910 -1.110 25493 1227 1 3 . 1 1 58 58 ILE H H 58 8.640 8.640 8.091 0.549 25493 1228 1 3 . 1 1 59 59 ASN N N 59 119.600 119.600 117.645 1.955 25493 1229 1 3 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.580 -0.210 25493 1230 1 3 . 1 1 59 59 ASN C C 59 176.700 176.700 175.814 0.886 25493 1231 1 3 . 1 1 59 59 ASN CA C 59 57.000 57.000 55.670 1.330 25493 1232 1 3 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.236 0.264 25493 1233 1 3 . 1 1 59 59 ASN H H 59 8.120 8.120 8.375 -0.255 25493 1234 1 3 . 1 1 60 60 ASP N N 60 119.600 119.600 121.130 -1.530 25493 1235 1 3 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.771 -0.391 25493 1236 1 3 . 1 1 60 60 ASP C C 60 179.400 179.400 178.051 1.349 25493 1237 1 3 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.660 0.940 25493 1238 1 3 . 1 1 60 60 ASP CB C 60 39.600 39.600 41.904 -2.304 25493 1239 1 3 . 1 1 60 60 ASP H H 60 8.490 8.490 7.574 0.916 25493 1240 1 3 . 1 1 61 61 VAL N N 61 118.700 118.700 123.065 -4.365 25493 1241 1 3 . 1 1 61 61 VAL HA H 61 3.750 3.750 4.022 -0.272 25493 1242 1 3 . 1 1 61 61 VAL C C 61 179.000 179.000 177.178 1.822 25493 1243 1 3 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.224 0.576 25493 1244 1 3 . 1 1 61 61 VAL CB C 61 32.500 32.500 31.849 0.651 25493 1245 1 3 . 1 1 61 61 VAL H H 61 7.930 7.930 8.321 -0.391 25493 1246 1 3 . 1 1 62 62 ARG N N 62 120.900 120.900 116.617 4.283 25493 1247 1 3 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.130 -0.480 25493 1248 1 3 . 1 1 62 62 ARG C C 62 177.100 177.100 176.585 0.515 25493 1249 1 3 . 1 1 62 62 ARG CA C 62 59.200 59.200 57.773 1.427 25493 1250 1 3 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.687 0.113 25493 1251 1 3 . 1 1 62 62 ARG H H 62 8.620 8.620 7.799 0.821 25493 1252 1 3 . 1 1 63 63 LYS N N 63 115.700 115.700 118.262 -2.562 25493 1253 1 3 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.363 -0.433 25493 1254 1 3 . 1 1 63 63 LYS C C 63 177.600 177.600 177.745 -0.145 25493 1255 1 3 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.105 2.095 25493 1256 1 3 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.724 0.276 25493 1257 1 3 . 1 1 63 63 LYS H H 63 7.940 7.940 7.624 0.316 25493 1258 1 3 . 1 1 64 64 LYS N N 64 115.300 115.300 119.053 -3.753 25493 1259 1 3 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.225 0.205 25493 1260 1 3 . 1 1 64 64 LYS C C 64 176.900 176.900 177.189 -0.289 25493 1261 1 3 . 1 1 64 64 LYS CA C 64 55.400 55.400 57.971 -2.571 25493 1262 1 3 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.511 0.589 25493 1263 1 3 . 1 1 64 64 LYS H H 64 7.130 7.130 8.218 -1.088 25493 1264 1 3 . 1 1 65 65 THR N N 65 113.500 113.500 112.216 1.284 25493 1265 1 3 . 1 1 65 65 THR HA H 65 4.520 4.520 4.551 -0.031 25493 1266 1 3 . 1 1 65 65 THR C C 65 173.200 173.200 172.624 0.576 25493 1267 1 3 . 1 1 65 65 THR CA C 65 62.000 62.000 60.641 1.359 25493 1268 1 3 . 1 1 65 65 THR CB C 65 69.600 69.600 70.601 -1.001 25493 1269 1 3 . 1 1 65 65 THR H H 65 7.250 7.250 7.883 -0.633 25493 1270 1 3 . 1 1 66 66 LYS N N 66 125.700 125.700 120.797 4.903 25493 1271 1 3 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.586 -0.076 25493 1272 1 3 . 1 1 66 66 LYS C C 66 175.900 175.900 175.409 0.491 25493 1273 1 3 . 1 1 66 66 LYS CA C 66 55.400 55.400 55.286 0.114 25493 1274 1 3 . 1 1 66 66 LYS CB C 66 32.000 32.000 31.808 0.192 25493 1275 1 3 . 1 1 66 66 LYS H H 66 8.500 8.500 8.329 0.171 25493 1276 1 3 . 1 1 67 67 ASN N N 67 122.100 122.100 121.302 0.798 25493 1277 1 3 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.522 0.168 25493 1278 1 3 . 1 1 67 67 ASN C C 67 174.400 174.400 176.362 -1.962 25493 1279 1 3 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.160 0.040 25493 1280 1 3 . 1 1 67 67 ASN CB C 67 39.000 39.000 38.337 0.663 25493 1281 1 3 . 1 1 67 67 ASN H H 67 8.570 8.570 8.414 0.156 25493 1282 1 3 . 1 1 68 68 GLU N N 68 128.400 128.400 123.889 4.511 25493 1283 1 3 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.846 0.144 25493 1284 1 3 . 1 1 68 68 GLU C C 68 178.500 178.500 177.803 0.697 25493 1285 1 3 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.521 -0.221 25493 1286 1 3 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.282 0.518 25493 1287 1 3 . 1 1 68 68 GLU H H 68 8.850 8.850 8.807 0.043 25493 1288 1 3 . 1 1 69 69 GLU N N 69 120.300 120.300 119.061 1.239 25493 1289 1 3 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.265 -0.235 25493 1290 1 3 . 1 1 69 69 GLU C C 69 179.000 179.000 178.151 0.849 25493 1291 1 3 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.157 2.043 25493 1292 1 3 . 1 1 69 69 GLU CB C 69 29.200 29.200 29.861 -0.661 25493 1293 1 3 . 1 1 69 69 GLU H H 69 8.190 8.190 8.235 -0.045 25493 1294 1 3 . 1 1 70 70 LEU N N 70 121.300 121.300 121.972 -0.672 25493 1295 1 3 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.169 -0.299 25493 1296 1 3 . 1 1 70 70 LEU C C 70 178.500 178.500 178.318 0.182 25493 1297 1 3 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.103 1.097 25493 1298 1 3 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.792 -1.092 25493 1299 1 3 . 1 1 70 70 LEU H H 70 8.120 8.120 7.587 0.533 25493 1300 1 3 . 1 1 71 71 ALA N N 71 121.000 121.000 121.806 -0.806 25493 1301 1 3 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.897 -0.157 25493 1302 1 3 . 1 1 71 71 ALA C C 71 180.100 180.100 178.792 1.308 25493 1303 1 3 . 1 1 71 71 ALA CA C 71 56.500 56.500 56.031 0.469 25493 1304 1 3 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.384 -0.684 25493 1305 1 3 . 1 1 71 71 ALA H H 71 8.330 8.330 8.583 -0.253 25493 1306 1 3 . 1 1 72 72 LYS N N 72 118.200 118.200 116.173 2.027 25493 1307 1 3 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.171 -0.211 25493 1308 1 3 . 1 1 72 72 LYS C C 72 179.800 179.800 179.178 0.622 25493 1309 1 3 . 1 1 72 72 LYS CA C 72 59.800 59.800 58.212 1.588 25493 1310 1 3 . 1 1 72 72 LYS CB C 72 32.500 32.500 31.712 0.788 25493 1311 1 3 . 1 1 72 72 LYS H H 72 8.150 8.150 7.791 0.359 25493 1312 1 3 . 1 1 73 73 ARG N N 73 120.600 120.600 121.053 -0.453 25493 1313 1 3 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.122 -0.132 25493 1314 1 3 . 1 1 73 73 ARG C C 73 180.100 180.100 178.223 1.877 25493 1315 1 3 . 1 1 73 73 ARG CA C 73 59.300 59.300 59.049 0.251 25493 1316 1 3 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.047 1.953 25493 1317 1 3 . 1 1 73 73 ARG H H 73 8.140 8.140 8.371 -0.231 25493 1318 1 3 . 1 1 74 74 ALA N N 74 121.700 121.700 121.495 0.205 25493 1319 1 3 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.189 -0.409 25493 1320 1 3 . 1 1 74 74 ALA C C 74 178.100 178.100 179.219 -1.119 25493 1321 1 3 . 1 1 74 74 ALA CA C 74 54.900 54.900 54.975 -0.075 25493 1322 1 3 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.350 -1.150 25493 1323 1 3 . 1 1 74 74 ALA H H 74 8.970 8.970 8.453 0.517 25493 1324 1 3 . 1 1 75 75 LYS N N 75 117.900 117.900 114.201 3.699 25493 1325 1 3 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.300 -0.560 25493 1326 1 3 . 1 1 75 75 LYS C C 75 178.300 178.300 176.365 1.935 25493 1327 1 3 . 1 1 75 75 LYS CA C 75 60.300 60.300 56.476 3.824 25493 1328 1 3 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.159 0.341 25493 1329 1 3 . 1 1 75 75 LYS H H 75 8.200 8.200 7.653 0.547 25493 1330 1 3 . 1 1 76 76 LYS N N 76 118.800 118.800 119.482 -0.682 25493 1331 1 3 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.304 -0.414 25493 1332 1 3 . 1 1 76 76 LYS C C 76 179.200 179.200 177.642 1.558 25493 1333 1 3 . 1 1 76 76 LYS CA C 76 59.800 59.800 57.375 2.425 25493 1334 1 3 . 1 1 76 76 LYS CB C 76 32.400 32.400 33.339 -0.939 25493 1335 1 3 . 1 1 76 76 LYS H H 76 7.630 7.630 7.529 0.101 25493 1336 1 3 . 1 1 77 77 LEU N N 77 121.400 121.400 120.470 0.930 25493 1337 1 3 . 1 1 77 77 LEU HA H 77 3.630 3.630 4.109 -0.479 25493 1338 1 3 . 1 1 77 77 LEU C C 77 178.200 178.200 178.152 0.048 25493 1339 1 3 . 1 1 77 77 LEU CA C 77 57.600 57.600 56.286 1.314 25493 1340 1 3 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.535 -0.735 25493 1341 1 3 . 1 1 77 77 LEU H H 77 7.430 7.430 8.283 -0.853 25493 1342 1 3 . 1 1 78 78 LEU N N 78 117.600 117.600 118.983 -1.383 25493 1343 1 3 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.701 0.059 25493 1344 1 3 . 1 1 78 78 LEU C C 78 180.300 180.300 178.468 1.832 25493 1345 1 3 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.308 0.792 25493 1346 1 3 . 1 1 78 78 LEU CB C 78 41.200 41.200 41.248 -0.048 25493 1347 1 3 . 1 1 78 78 LEU H H 78 7.960 7.960 7.390 0.570 25493 1348 1 3 . 1 1 79 79 ARG N N 79 119.800 119.800 117.791 2.009 25493 1349 1 3 . 1 1 79 79 ARG HA H 79 4.110 4.110 4.025 0.085 25493 1350 1 3 . 1 1 79 79 ARG C C 79 179.500 179.500 178.645 0.855 25493 1351 1 3 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.681 0.519 25493 1352 1 3 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.521 0.179 25493 1353 1 3 . 1 1 79 79 ARG H H 79 8.110 8.110 8.215 -0.105 25493 1354 1 3 . 1 1 80 80 SER N N 80 117.800 117.800 114.610 3.190 25493 1355 1 3 . 1 1 80 80 SER HA H 80 4.310 4.310 4.053 0.257 25493 1356 1 3 . 1 1 80 80 SER C C 80 177.000 177.000 174.881 2.119 25493 1357 1 3 . 1 1 80 80 SER CA C 80 61.500 61.500 60.201 1.299 25493 1358 1 3 . 1 1 80 80 SER CB C 80 62.500 62.500 62.756 -0.256 25493 1359 1 3 . 1 1 80 80 SER H H 80 7.870 7.870 7.283 0.587 25493 1360 1 3 . 1 1 81 81 TRP N N 81 123.300 123.300 116.973 6.327 25493 1361 1 3 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.036 -0.226 25493 1362 1 3 . 1 1 81 81 TRP C C 81 178.200 178.200 177.244 0.956 25493 1363 1 3 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.798 0.702 25493 1364 1 3 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.388 0.812 25493 1365 1 3 . 1 1 81 81 TRP H H 81 8.010 8.010 7.031 0.979 25493 1366 1 3 . 1 1 82 82 GLN N N 82 120.400 120.400 123.120 -2.720 25493 1367 1 3 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.041 0.039 25493 1368 1 3 . 1 1 82 82 GLN C C 82 177.600 177.600 176.859 0.741 25493 1369 1 3 . 1 1 82 82 GLN CA C 82 59.200 59.200 58.966 0.234 25493 1370 1 3 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.329 -0.129 25493 1371 1 3 . 1 1 82 82 GLN H H 82 8.080 8.080 7.695 0.385 25493 1372 1 3 . 1 1 83 83 LYS N N 83 115.600 115.600 116.845 -1.245 25493 1373 1 3 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.162 0.058 25493 1374 1 3 . 1 1 83 83 LYS C C 83 177.400 177.400 177.185 0.215 25493 1375 1 3 . 1 1 83 83 LYS CA C 83 57.600 57.600 58.243 -0.643 25493 1376 1 3 . 1 1 83 83 LYS CB C 83 32.500 32.500 32.156 0.344 25493 1377 1 3 . 1 1 83 83 LYS H H 83 7.770 7.770 8.174 -0.404 25493 1378 1 3 . 1 1 84 84 LEU N N 84 117.900 117.900 115.887 2.013 25493 1379 1 3 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.558 -0.278 25493 1380 1 3 . 1 1 84 84 LEU C C 84 177.500 177.500 175.859 1.641 25493 1381 1 3 . 1 1 84 84 LEU CA C 84 56.000 56.000 54.909 1.091 25493 1382 1 3 . 1 1 84 84 LEU CB C 84 42.900 42.900 44.282 -1.382 25493 1383 1 3 . 1 1 84 84 LEU H H 84 7.670 7.670 7.856 -0.186 25493 1384 1 3 . 1 1 85 85 ILE N N 85 115.400 115.400 113.443 1.957 25493 1385 1 3 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.518 -0.388 25493 1386 1 3 . 1 1 85 85 ILE C C 85 175.100 175.100 174.712 0.388 25493 1387 1 3 . 1 1 85 85 ILE CA C 85 61.400 61.400 58.784 2.616 25493 1388 1 3 . 1 1 85 85 ILE CB C 85 39.600 39.600 40.820 -1.220 25493 1389 1 3 . 1 1 85 85 ILE H H 85 7.490 7.490 7.482 0.008 25493 1390 1 4 . 1 1 7 7 ALA N N 7 123.700 123.700 122.726 0.974 25493 1391 1 4 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.407 0.013 25493 1392 1 4 . 1 1 7 7 ALA C C 7 176.700 176.700 175.502 1.198 25493 1393 1 4 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.801 -0.201 25493 1394 1 4 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.967 -1.067 25493 1395 1 4 . 1 1 7 7 ALA H H 7 8.040 8.040 7.935 0.105 25493 1396 1 4 . 1 1 8 8 SER N N 8 117.100 117.100 116.047 1.053 25493 1397 1 4 . 1 1 8 8 SER HA H 8 4.750 4.750 4.415 0.335 25493 1398 1 4 . 1 1 8 8 SER CA C 8 56.000 56.000 56.590 -0.590 25493 1399 1 4 . 1 1 8 8 SER CB C 8 63.300 63.300 63.414 -0.114 25493 1400 1 4 . 1 1 8 8 SER H H 8 8.430 8.430 8.284 0.146 25493 1401 1 4 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.875 0.065 25493 1402 1 4 . 1 1 9 9 PRO C C 9 177.400 177.400 178.146 -0.746 25493 1403 1 4 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.508 0.292 25493 1404 1 4 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.721 0.279 25493 1405 1 4 . 1 1 10 10 GLN N N 10 116.000 116.000 116.232 -0.232 25493 1406 1 4 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.022 -0.362 25493 1407 1 4 . 1 1 10 10 GLN C C 10 177.500 177.500 178.119 -0.619 25493 1408 1 4 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.510 0.790 25493 1409 1 4 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.794 -0.294 25493 1410 1 4 . 1 1 10 10 GLN H H 10 8.350 8.350 8.305 0.045 25493 1411 1 4 . 1 1 11 11 GLN N N 11 119.200 119.200 119.136 0.064 25493 1412 1 4 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.077 0.003 25493 1413 1 4 . 1 1 11 11 GLN C C 11 179.600 179.600 178.318 1.282 25493 1414 1 4 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.400 0.500 25493 1415 1 4 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.291 0.309 25493 1416 1 4 . 1 1 11 11 GLN H H 11 7.680 7.680 7.740 -0.060 25493 1417 1 4 . 1 1 12 12 ILE N N 12 121.300 121.300 114.216 7.084 25493 1418 1 4 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.859 -0.329 25493 1419 1 4 . 1 1 12 12 ILE C C 12 177.200 177.200 177.296 -0.096 25493 1420 1 4 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.666 1.634 25493 1421 1 4 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.150 0.250 25493 1422 1 4 . 1 1 12 12 ILE H H 12 8.190 8.190 8.102 0.088 25493 1423 1 4 . 1 1 13 13 ARG N N 13 120.200 120.200 122.113 -1.913 25493 1424 1 4 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.897 -0.157 25493 1425 1 4 . 1 1 13 13 ARG C C 13 177.700 177.700 177.872 -0.172 25493 1426 1 4 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.996 0.304 25493 1427 1 4 . 1 1 13 13 ARG CB C 13 28.200 28.200 30.031 -1.831 25493 1428 1 4 . 1 1 13 13 ARG H H 13 8.320 8.320 8.042 0.278 25493 1429 1 4 . 1 1 14 14 ASP N N 14 119.200 119.200 118.177 1.023 25493 1430 1 4 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.564 -0.234 25493 1431 1 4 . 1 1 14 14 ASP C C 14 178.800 178.800 176.861 1.939 25493 1432 1 4 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.572 2.428 25493 1433 1 4 . 1 1 14 14 ASP CB C 14 39.600 39.600 39.956 -0.356 25493 1434 1 4 . 1 1 14 14 ASP H H 14 8.280 8.280 8.135 0.145 25493 1435 1 4 . 1 1 15 15 ARG N N 15 120.400 120.400 118.046 2.354 25493 1436 1 4 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.443 -0.473 25493 1437 1 4 . 1 1 15 15 ARG C C 15 179.300 179.300 177.053 2.247 25493 1438 1 4 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.698 2.502 25493 1439 1 4 . 1 1 15 15 ARG CB C 15 30.000 30.000 30.643 -0.643 25493 1440 1 4 . 1 1 15 15 ARG H H 15 7.980 7.980 7.585 0.395 25493 1441 1 4 . 1 1 16 16 LEU N N 16 120.500 120.500 120.491 0.009 25493 1442 1 4 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.445 -0.475 25493 1443 1 4 . 1 1 16 16 LEU C C 16 178.500 178.500 177.772 0.728 25493 1444 1 4 . 1 1 16 16 LEU CA C 16 58.100 58.100 58.015 0.085 25493 1445 1 4 . 1 1 16 16 LEU CB C 16 41.200 41.200 42.526 -1.326 25493 1446 1 4 . 1 1 16 16 LEU H H 16 8.210 8.210 8.243 -0.033 25493 1447 1 4 . 1 1 17 17 LEU N N 17 116.100 116.100 119.179 -3.079 25493 1448 1 4 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.074 -0.074 25493 1449 1 4 . 1 1 17 17 LEU C C 17 179.400 179.400 178.598 0.802 25493 1450 1 4 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.693 -0.093 25493 1451 1 4 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.593 0.107 25493 1452 1 4 . 1 1 17 17 LEU H H 17 8.310 8.310 8.409 -0.099 25493 1453 1 4 . 1 1 18 18 GLN N N 18 114.300 114.300 115.361 -1.061 25493 1454 1 4 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.208 0.032 25493 1455 1 4 . 1 1 18 18 GLN C C 18 176.700 176.700 178.110 -1.410 25493 1456 1 4 . 1 1 18 18 GLN CA C 18 57.000 57.000 56.916 0.084 25493 1457 1 4 . 1 1 18 18 GLN CB C 18 28.800 28.800 27.949 0.851 25493 1458 1 4 . 1 1 18 18 GLN H H 18 7.460 7.460 8.024 -0.564 25493 1459 1 4 . 1 1 19 19 ALA N N 19 120.800 120.800 122.099 -1.299 25493 1460 1 4 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.213 0.277 25493 1461 1 4 . 1 1 19 19 ALA C C 19 176.000 176.000 176.868 -0.868 25493 1462 1 4 . 1 1 19 19 ALA CA C 19 52.600 52.600 54.275 -1.675 25493 1463 1 4 . 1 1 19 19 ALA CB C 19 22.100 22.100 18.925 3.175 25493 1464 1 4 . 1 1 19 19 ALA H H 19 7.770 7.770 7.729 0.041 25493 1465 1 4 . 1 1 20 20 ILE N N 20 113.500 113.500 110.631 2.869 25493 1466 1 4 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.699 0.501 25493 1467 1 4 . 1 1 20 20 ILE C C 20 173.600 173.600 174.400 -0.800 25493 1468 1 4 . 1 1 20 20 ILE CA C 20 59.200 59.200 58.498 0.702 25493 1469 1 4 . 1 1 20 20 ILE CB C 20 41.800 41.800 40.324 1.476 25493 1470 1 4 . 1 1 20 20 ILE H H 20 7.360 7.360 7.060 0.300 25493 1471 1 4 . 1 1 21 21 ASP N N 21 122.500 122.500 120.022 2.478 25493 1472 1 4 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.005 -0.025 25493 1473 1 4 . 1 1 21 21 ASP CA C 21 52.100 52.100 52.268 -0.168 25493 1474 1 4 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.215 -0.015 25493 1475 1 4 . 1 1 21 21 ASP H H 21 8.530 8.530 8.452 0.078 25493 1476 1 4 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.510 -0.060 25493 1477 1 4 . 1 1 22 22 PRO C C 22 177.500 177.500 176.453 1.047 25493 1478 1 4 . 1 1 22 22 PRO CA C 22 65.200 65.200 63.732 1.468 25493 1479 1 4 . 1 1 22 22 PRO CB C 22 31.900 31.900 31.552 0.348 25493 1480 1 4 . 1 1 23 23 GLN N N 23 115.900 115.900 119.121 -3.221 25493 1481 1 4 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.408 0.012 25493 1482 1 4 . 1 1 23 23 GLN C C 23 174.800 174.800 176.123 -1.323 25493 1483 1 4 . 1 1 23 23 GLN CA C 23 55.400 55.400 57.222 -1.822 25493 1484 1 4 . 1 1 23 23 GLN CB C 23 28.700 28.700 29.971 -1.271 25493 1485 1 4 . 1 1 23 23 GLN H H 23 7.950 7.950 7.972 -0.022 25493 1486 1 4 . 1 1 24 24 SER N N 24 107.900 107.900 109.660 -1.760 25493 1487 1 4 . 1 1 24 24 SER HA H 24 3.730 3.730 4.630 -0.900 25493 1488 1 4 . 1 1 24 24 SER C C 24 173.200 173.200 173.999 -0.799 25493 1489 1 4 . 1 1 24 24 SER CA C 24 60.300 60.300 57.433 2.867 25493 1490 1 4 . 1 1 24 24 SER CB C 24 60.300 60.300 64.394 -4.094 25493 1491 1 4 . 1 1 24 24 SER H H 24 8.270 8.270 8.073 0.197 25493 1492 1 4 . 1 1 25 25 ASN N N 25 117.000 117.000 121.865 -4.865 25493 1493 1 4 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.722 -0.192 25493 1494 1 4 . 1 1 25 25 ASN C C 25 175.600 175.600 175.045 0.555 25493 1495 1 4 . 1 1 25 25 ASN CA C 25 52.800 52.800 54.172 -1.372 25493 1496 1 4 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.454 -0.954 25493 1497 1 4 . 1 1 25 25 ASN H H 25 8.500 8.500 7.530 0.970 25493 1498 1 4 . 1 1 26 26 ILE N N 26 122.400 122.400 116.793 5.607 25493 1499 1 4 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.204 -0.384 25493 1500 1 4 . 1 1 26 26 ILE C C 26 176.400 176.400 176.530 -0.130 25493 1501 1 4 . 1 1 26 26 ILE CA C 26 63.600 63.600 60.876 2.724 25493 1502 1 4 . 1 1 26 26 ILE CB C 26 38.600 38.600 39.766 -1.166 25493 1503 1 4 . 1 1 26 26 ILE H H 26 8.890 8.890 8.470 0.420 25493 1504 1 4 . 1 1 27 27 ARG N N 27 127.600 127.600 117.665 9.935 25493 1505 1 4 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.841 0.690 25493 1506 1 4 . 1 1 27 27 ARG C C 27 176.000 176.000 176.445 -0.445 25493 1507 1 4 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.987 -2.487 25493 1508 1 4 . 1 1 27 27 ARG CB C 27 31.400 31.400 29.112 2.288 25493 1509 1 4 . 1 1 27 27 ARG H H 27 9.070 9.070 8.554 0.516 25493 1510 1 4 . 1 1 28 28 ASN N N 28 117.300 117.300 118.691 -1.391 25493 1511 1 4 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.965 -0.035 25493 1512 1 4 . 1 1 28 28 ASN C C 28 174.300 174.300 175.095 -0.795 25493 1513 1 4 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.841 -0.241 25493 1514 1 4 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.506 0.494 25493 1515 1 4 . 1 1 28 28 ASN H H 28 7.510 7.510 8.356 -0.846 25493 1516 1 4 . 1 1 29 29 MET N N 29 125.700 125.700 123.877 1.823 25493 1517 1 4 . 1 1 29 29 MET HA H 29 4.190 4.190 4.186 0.004 25493 1518 1 4 . 1 1 29 29 MET C C 29 177.300 177.300 176.549 0.751 25493 1519 1 4 . 1 1 29 29 MET CA C 29 57.600 57.600 58.869 -1.269 25493 1520 1 4 . 1 1 29 29 MET CB C 29 31.400 31.400 32.765 -1.365 25493 1521 1 4 . 1 1 29 29 MET H H 29 8.940 8.940 8.446 0.494 25493 1522 1 4 . 1 1 30 30 VAL N N 30 118.600 118.600 117.665 0.935 25493 1523 1 4 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.832 -0.312 25493 1524 1 4 . 1 1 30 30 VAL C C 30 178.800 178.800 176.679 2.121 25493 1525 1 4 . 1 1 30 30 VAL CA C 30 66.900 66.900 64.474 2.426 25493 1526 1 4 . 1 1 30 30 VAL CB C 30 31.500 31.500 30.998 0.502 25493 1527 1 4 . 1 1 30 30 VAL H H 30 7.910 7.910 7.894 0.016 25493 1528 1 4 . 1 1 31 31 ALA N N 31 120.600 120.600 121.646 -1.046 25493 1529 1 4 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.297 -0.167 25493 1530 1 4 . 1 1 31 31 ALA C C 31 180.300 180.300 178.857 1.443 25493 1531 1 4 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.624 -0.324 25493 1532 1 4 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.820 0.080 25493 1533 1 4 . 1 1 31 31 ALA H H 31 7.270 7.270 7.600 -0.330 25493 1534 1 4 . 1 1 32 32 VAL N N 32 117.900 117.900 118.304 -0.404 25493 1535 1 4 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.885 -0.505 25493 1536 1 4 . 1 1 32 32 VAL C C 32 177.700 177.700 177.039 0.661 25493 1537 1 4 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.369 3.331 25493 1538 1 4 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.155 -1.255 25493 1539 1 4 . 1 1 32 32 VAL H H 32 7.640 7.640 7.595 0.045 25493 1540 1 4 . 1 1 33 33 LEU N N 33 119.900 119.900 119.510 0.390 25493 1541 1 4 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.188 -0.278 25493 1542 1 4 . 1 1 33 33 LEU C C 33 179.900 179.900 178.600 1.300 25493 1543 1 4 . 1 1 33 33 LEU CA C 33 58.300 58.300 57.279 1.021 25493 1544 1 4 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.478 -0.778 25493 1545 1 4 . 1 1 33 33 LEU H H 33 8.450 8.450 8.393 0.057 25493 1546 1 4 . 1 1 34 34 GLU N N 34 121.200 121.200 120.331 0.869 25493 1547 1 4 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.050 0.010 25493 1548 1 4 . 1 1 34 34 GLU C C 34 179.800 179.800 178.984 0.816 25493 1549 1 4 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.629 0.171 25493 1550 1 4 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.566 -0.266 25493 1551 1 4 . 1 1 34 34 GLU H H 34 8.080 8.080 7.590 0.490 25493 1552 1 4 . 1 1 35 35 VAL N N 35 122.400 122.400 119.999 2.401 25493 1553 1 4 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.854 -0.255 25493 1554 1 4 . 1 1 35 35 VAL C C 35 177.900 177.900 177.417 0.483 25493 1555 1 4 . 1 1 35 35 VAL CA C 35 67.100 67.100 65.881 1.219 25493 1556 1 4 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.432 -0.532 25493 1557 1 4 . 1 1 35 35 VAL H H 35 8.060 8.060 7.462 0.598 25493 1558 1 4 . 1 1 36 36 ILE N N 36 119.800 119.800 118.774 1.026 25493 1559 1 4 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.905 -0.345 25493 1560 1 4 . 1 1 36 36 ILE C C 36 177.500 177.500 178.519 -1.019 25493 1561 1 4 . 1 1 36 36 ILE CA C 36 64.200 64.200 64.704 -0.504 25493 1562 1 4 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.617 -0.317 25493 1563 1 4 . 1 1 36 36 ILE H H 36 8.420 8.420 7.286 1.134 25493 1564 1 4 . 1 1 37 37 SER N N 37 114.700 114.700 114.783 -0.083 25493 1565 1 4 . 1 1 37 37 SER HA H 37 4.290 4.290 4.321 -0.031 25493 1566 1 4 . 1 1 37 37 SER C C 37 177.300 177.300 176.216 1.084 25493 1567 1 4 . 1 1 37 37 SER CA C 37 61.900 61.900 60.847 1.052 25493 1568 1 4 . 1 1 37 37 SER CB C 37 63.100 63.100 62.950 0.150 25493 1569 1 4 . 1 1 37 37 SER H H 37 8.430 8.430 7.774 0.656 25493 1570 1 4 . 1 1 38 38 SER N N 38 117.200 117.200 117.868 -0.668 25493 1571 1 4 . 1 1 38 38 SER HA H 38 4.290 4.290 4.400 -0.110 25493 1572 1 4 . 1 1 38 38 SER C C 38 176.700 176.700 176.972 -0.272 25493 1573 1 4 . 1 1 38 38 SER CA C 38 62.500 62.500 61.485 1.015 25493 1574 1 4 . 1 1 38 38 SER CB C 38 63.100 63.100 63.367 -0.267 25493 1575 1 4 . 1 1 38 38 SER H H 38 8.200 8.200 8.000 0.200 25493 1576 1 4 . 1 1 39 39 LEU N N 39 121.600 121.600 122.244 -0.644 25493 1577 1 4 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.287 0.083 25493 1578 1 4 . 1 1 39 39 LEU C C 39 178.700 178.700 178.843 -0.143 25493 1579 1 4 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.545 -0.445 25493 1580 1 4 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.731 1.069 25493 1581 1 4 . 1 1 39 39 LEU H H 39 8.150 8.150 8.585 -0.435 25493 1582 1 4 . 1 1 40 40 GLU N N 40 118.600 118.600 119.012 -0.412 25493 1583 1 4 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.268 -0.368 25493 1584 1 4 . 1 1 40 40 GLU C C 40 178.100 178.100 176.947 1.153 25493 1585 1 4 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.489 0.211 25493 1586 1 4 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.184 1.116 25493 1587 1 4 . 1 1 40 40 GLU H H 40 8.190 8.190 8.566 -0.376 25493 1588 1 4 . 1 1 41 41 LYS N N 41 116.300 116.300 117.024 -0.724 25493 1589 1 4 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.442 -0.212 25493 1590 1 4 . 1 1 41 41 LYS C C 41 175.800 175.800 175.541 0.259 25493 1591 1 4 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.699 0.901 25493 1592 1 4 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.244 0.356 25493 1593 1 4 . 1 1 41 41 LYS H H 41 7.440 7.440 7.518 -0.078 25493 1594 1 4 . 1 1 42 42 TYR N N 42 121.400 121.400 123.440 -2.040 25493 1595 1 4 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.812 0.048 25493 1596 1 4 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.895 -0.495 25493 1597 1 4 . 1 1 42 42 TYR CB C 42 39.600 39.600 41.363 -1.763 25493 1598 1 4 . 1 1 42 42 TYR H H 42 7.730 7.730 8.075 -0.345 25493 1599 1 4 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.648 0.112 25493 1600 1 4 . 1 1 43 43 PRO C C 43 175.800 175.800 175.891 -0.091 25493 1601 1 4 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.735 -0.235 25493 1602 1 4 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.784 -0.484 25493 1603 1 4 . 1 1 44 44 ILE N N 44 124.000 124.000 125.743 -1.743 25493 1604 1 4 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.102 0.368 25493 1605 1 4 . 1 1 44 44 ILE C C 44 174.300 174.300 176.316 -2.016 25493 1606 1 4 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.100 -0.800 25493 1607 1 4 . 1 1 44 44 ILE CB C 44 40.700 40.700 38.135 2.566 25493 1608 1 4 . 1 1 44 44 ILE H H 44 8.200 8.200 7.864 0.336 25493 1609 1 4 . 1 1 45 45 THR N N 45 112.200 112.200 116.213 -4.013 25493 1610 1 4 . 1 1 45 45 THR HA H 45 4.530 4.530 4.717 -0.187 25493 1611 1 4 . 1 1 45 45 THR C C 45 175.100 175.100 175.197 -0.097 25493 1612 1 4 . 1 1 45 45 THR CA C 45 59.800 59.800 60.099 -0.299 25493 1613 1 4 . 1 1 45 45 THR CB C 45 72.300 72.300 70.974 1.326 25493 1614 1 4 . 1 1 45 45 THR H H 45 7.330 7.330 7.860 -0.530 25493 1615 1 4 . 1 1 46 46 LYS N N 46 121.500 121.500 123.761 -2.261 25493 1616 1 4 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.887 -0.147 25493 1617 1 4 . 1 1 46 46 LYS C C 46 178.200 178.200 178.429 -0.229 25493 1618 1 4 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.470 0.530 25493 1619 1 4 . 1 1 46 46 LYS CB C 46 32.500 32.500 32.042 0.458 25493 1620 1 4 . 1 1 46 46 LYS H H 46 9.090 9.090 8.761 0.329 25493 1621 1 4 . 1 1 47 47 GLU N N 47 118.400 118.400 119.558 -1.158 25493 1622 1 4 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.225 -0.205 25493 1623 1 4 . 1 1 47 47 GLU C C 47 179.000 179.000 177.725 1.275 25493 1624 1 4 . 1 1 47 47 GLU CA C 47 60.800 60.800 59.279 1.520 25493 1625 1 4 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.322 -0.622 25493 1626 1 4 . 1 1 47 47 GLU H H 47 9.010 9.010 8.732 0.278 25493 1627 1 4 . 1 1 48 48 ALA N N 48 122.300 122.300 120.683 1.617 25493 1628 1 4 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.351 -0.081 25493 1629 1 4 . 1 1 48 48 ALA C C 48 181.900 181.900 179.326 2.574 25493 1630 1 4 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.328 1.572 25493 1631 1 4 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.832 -1.032 25493 1632 1 4 . 1 1 48 48 ALA H H 48 7.860 7.860 7.526 0.334 25493 1633 1 4 . 1 1 49 49 LEU N N 49 122.200 122.200 122.149 0.051 25493 1634 1 4 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.029 -0.449 25493 1635 1 4 . 1 1 49 49 LEU C C 49 179.800 179.800 178.169 1.631 25493 1636 1 4 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.614 1.086 25493 1637 1 4 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.322 -0.022 25493 1638 1 4 . 1 1 49 49 LEU H H 49 8.260 8.260 7.962 0.298 25493 1639 1 4 . 1 1 50 50 GLU N N 50 120.400 120.400 117.423 2.977 25493 1640 1 4 . 1 1 50 50 GLU HA H 50 4.040 4.040 3.985 0.055 25493 1641 1 4 . 1 1 50 50 GLU C C 50 178.900 178.900 178.395 0.505 25493 1642 1 4 . 1 1 50 50 GLU CA C 50 59.200 59.200 59.267 -0.067 25493 1643 1 4 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.330 -0.130 25493 1644 1 4 . 1 1 50 50 GLU H H 50 8.120 8.120 8.430 -0.310 25493 1645 1 4 . 1 1 51 51 GLU N N 51 118.500 118.500 119.748 -1.248 25493 1646 1 4 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.188 -0.138 25493 1647 1 4 . 1 1 51 51 GLU C C 51 178.800 178.800 178.394 0.406 25493 1648 1 4 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.306 0.894 25493 1649 1 4 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.815 0.485 25493 1650 1 4 . 1 1 51 51 GLU H H 51 8.200 8.200 7.679 0.521 25493 1651 1 4 . 1 1 52 52 THR N N 52 104.700 104.700 110.118 -5.418 25493 1652 1 4 . 1 1 52 52 THR HA H 52 4.090 4.090 4.254 -0.164 25493 1653 1 4 . 1 1 52 52 THR C C 52 175.400 175.400 175.636 -0.236 25493 1654 1 4 . 1 1 52 52 THR CA C 52 63.100 63.100 63.453 -0.353 25493 1655 1 4 . 1 1 52 52 THR CB C 52 71.800 71.800 69.356 2.444 25493 1656 1 4 . 1 1 52 52 THR H H 52 7.840 7.840 8.280 -0.440 25493 1657 1 4 . 1 1 53 53 ARG N N 53 114.400 114.400 116.785 -2.385 25493 1658 1 4 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.937 0.173 25493 1659 1 4 . 1 1 53 53 ARG C C 53 177.200 177.200 175.732 1.468 25493 1660 1 4 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.673 0.627 25493 1661 1 4 . 1 1 53 53 ARG CB C 53 27.500 27.500 26.944 0.556 25493 1662 1 4 . 1 1 53 53 ARG H H 53 7.680 7.680 7.912 -0.232 25493 1663 1 4 . 1 1 54 54 LEU N N 54 117.200 117.200 120.391 -3.191 25493 1664 1 4 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.107 -0.297 25493 1665 1 4 . 1 1 54 54 LEU C C 54 178.200 178.200 177.947 0.253 25493 1666 1 4 . 1 1 54 54 LEU CA C 54 58.700 58.700 57.785 0.915 25493 1667 1 4 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.548 1.852 25493 1668 1 4 . 1 1 54 54 LEU H H 54 7.460 7.460 7.402 0.058 25493 1669 1 4 . 1 1 55 55 GLY N N 55 105.900 105.900 106.161 -0.261 25493 1670 1 4 . 1 1 55 55 GLY C C 55 175.500 175.500 175.686 -0.186 25493 1671 1 4 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.225 -0.025 25493 1672 1 4 . 1 1 55 55 GLY H H 55 8.650 8.650 8.341 0.309 25493 1673 1 4 . 1 1 56 56 LYS N N 56 123.300 123.300 122.241 1.059 25493 1674 1 4 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.176 -0.066 25493 1675 1 4 . 1 1 56 56 LYS C C 56 178.300 178.300 178.638 -0.338 25493 1676 1 4 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.769 0.431 25493 1677 1 4 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.236 0.264 25493 1678 1 4 . 1 1 56 56 LYS H H 56 7.210 7.210 7.486 -0.276 25493 1679 1 4 . 1 1 57 57 LEU N N 57 117.700 117.700 121.461 -3.761 25493 1680 1 4 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.126 0.054 25493 1681 1 4 . 1 1 57 57 LEU C C 57 179.600 179.600 178.639 0.961 25493 1682 1 4 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.572 0.128 25493 1683 1 4 . 1 1 57 57 LEU CB C 57 43.400 43.400 41.978 1.422 25493 1684 1 4 . 1 1 57 57 LEU H H 57 7.900 7.900 7.733 0.167 25493 1685 1 4 . 1 1 58 58 ILE N N 58 116.600 116.600 119.274 -2.674 25493 1686 1 4 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.705 -0.025 25493 1687 1 4 . 1 1 58 58 ILE C C 58 177.900 177.900 178.472 -0.572 25493 1688 1 4 . 1 1 58 58 ILE CA C 58 63.100 63.100 64.284 -1.183 25493 1689 1 4 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.522 -0.722 25493 1690 1 4 . 1 1 58 58 ILE H H 58 8.640 8.640 7.816 0.824 25493 1691 1 4 . 1 1 59 59 ASN N N 59 119.600 119.600 118.459 1.141 25493 1692 1 4 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.458 -0.088 25493 1693 1 4 . 1 1 59 59 ASN C C 59 176.700 176.700 176.516 0.184 25493 1694 1 4 . 1 1 59 59 ASN CA C 59 57.000 57.000 56.969 0.031 25493 1695 1 4 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.588 -0.088 25493 1696 1 4 . 1 1 59 59 ASN H H 59 8.120 8.120 8.349 -0.229 25493 1697 1 4 . 1 1 60 60 ASP N N 60 119.600 119.600 119.642 -0.042 25493 1698 1 4 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.570 -0.190 25493 1699 1 4 . 1 1 60 60 ASP C C 60 179.400 179.400 178.213 1.187 25493 1700 1 4 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.876 0.724 25493 1701 1 4 . 1 1 60 60 ASP CB C 60 39.600 39.600 41.491 -1.891 25493 1702 1 4 . 1 1 60 60 ASP H H 60 8.490 8.490 7.550 0.940 25493 1703 1 4 . 1 1 61 61 VAL N N 61 118.700 118.700 121.410 -2.710 25493 1704 1 4 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.898 -0.148 25493 1705 1 4 . 1 1 61 61 VAL C C 61 179.000 179.000 177.132 1.868 25493 1706 1 4 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.253 0.547 25493 1707 1 4 . 1 1 61 61 VAL CB C 61 32.500 32.500 31.753 0.747 25493 1708 1 4 . 1 1 61 61 VAL H H 61 7.930 7.930 7.925 0.005 25493 1709 1 4 . 1 1 62 62 ARG N N 62 120.900 120.900 118.293 2.607 25493 1710 1 4 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.123 -0.473 25493 1711 1 4 . 1 1 62 62 ARG C C 62 177.100 177.100 177.335 -0.235 25493 1712 1 4 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.546 0.654 25493 1713 1 4 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.898 -0.098 25493 1714 1 4 . 1 1 62 62 ARG H H 62 8.620 8.620 7.870 0.750 25493 1715 1 4 . 1 1 63 63 LYS N N 63 115.700 115.700 118.447 -2.747 25493 1716 1 4 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.270 -0.340 25493 1717 1 4 . 1 1 63 63 LYS C C 63 177.600 177.600 177.958 -0.358 25493 1718 1 4 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.761 1.438 25493 1719 1 4 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.294 0.706 25493 1720 1 4 . 1 1 63 63 LYS H H 63 7.940 7.940 7.560 0.380 25493 1721 1 4 . 1 1 64 64 LYS N N 64 115.300 115.300 118.998 -3.698 25493 1722 1 4 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.235 0.195 25493 1723 1 4 . 1 1 64 64 LYS C C 64 176.900 176.900 177.805 -0.905 25493 1724 1 4 . 1 1 64 64 LYS CA C 64 55.400 55.400 58.504 -3.104 25493 1725 1 4 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.241 0.859 25493 1726 1 4 . 1 1 64 64 LYS H H 64 7.130 7.130 7.912 -0.782 25493 1727 1 4 . 1 1 65 65 THR N N 65 113.500 113.500 111.160 2.340 25493 1728 1 4 . 1 1 65 65 THR HA H 65 4.520 4.520 4.339 0.181 25493 1729 1 4 . 1 1 65 65 THR C C 65 173.200 173.200 174.300 -1.100 25493 1730 1 4 . 1 1 65 65 THR CA C 65 62.000 62.000 62.054 -0.054 25493 1731 1 4 . 1 1 65 65 THR CB C 65 69.600 69.600 70.288 -0.688 25493 1732 1 4 . 1 1 65 65 THR H H 65 7.250 7.250 7.744 -0.494 25493 1733 1 4 . 1 1 66 66 LYS N N 66 125.700 125.700 121.770 3.930 25493 1734 1 4 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.023 0.487 25493 1735 1 4 . 1 1 66 66 LYS C C 66 175.900 175.900 175.122 0.778 25493 1736 1 4 . 1 1 66 66 LYS CA C 66 55.400 55.400 57.007 -1.607 25493 1737 1 4 . 1 1 66 66 LYS CB C 66 32.000 32.000 30.897 1.103 25493 1738 1 4 . 1 1 66 66 LYS H H 66 8.500 8.500 7.992 0.508 25493 1739 1 4 . 1 1 67 67 ASN N N 67 122.100 122.100 116.700 5.400 25493 1740 1 4 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.404 0.286 25493 1741 1 4 . 1 1 67 67 ASN C C 67 174.400 174.400 176.881 -2.481 25493 1742 1 4 . 1 1 67 67 ASN CA C 67 53.200 53.200 54.609 -1.409 25493 1743 1 4 . 1 1 67 67 ASN CB C 67 39.000 39.000 38.877 0.123 25493 1744 1 4 . 1 1 67 67 ASN H H 67 8.570 8.570 8.061 0.509 25493 1745 1 4 . 1 1 68 68 GLU N N 68 128.400 128.400 123.201 5.199 25493 1746 1 4 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.866 0.124 25493 1747 1 4 . 1 1 68 68 GLU C C 68 178.500 178.500 177.428 1.072 25493 1748 1 4 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.868 -0.568 25493 1749 1 4 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.576 0.224 25493 1750 1 4 . 1 1 68 68 GLU H H 68 8.850 8.850 9.050 -0.200 25493 1751 1 4 . 1 1 69 69 GLU N N 69 120.300 120.300 118.299 2.001 25493 1752 1 4 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.235 -0.205 25493 1753 1 4 . 1 1 69 69 GLU C C 69 179.000 179.000 178.002 0.998 25493 1754 1 4 . 1 1 69 69 GLU CA C 69 59.200 59.200 58.476 0.724 25493 1755 1 4 . 1 1 69 69 GLU CB C 69 29.200 29.200 29.261 -0.061 25493 1756 1 4 . 1 1 69 69 GLU H H 69 8.190 8.190 8.636 -0.446 25493 1757 1 4 . 1 1 70 70 LEU N N 70 121.300 121.300 121.556 -0.256 25493 1758 1 4 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.131 -0.261 25493 1759 1 4 . 1 1 70 70 LEU C C 70 178.500 178.500 178.579 -0.079 25493 1760 1 4 . 1 1 70 70 LEU CA C 70 58.200 58.200 56.997 1.203 25493 1761 1 4 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.806 -1.106 25493 1762 1 4 . 1 1 70 70 LEU H H 70 8.120 8.120 7.848 0.272 25493 1763 1 4 . 1 1 71 71 ALA N N 71 121.000 121.000 121.526 -0.526 25493 1764 1 4 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.866 -0.126 25493 1765 1 4 . 1 1 71 71 ALA C C 71 180.100 180.100 179.152 0.948 25493 1766 1 4 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.492 1.008 25493 1767 1 4 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.316 -0.615 25493 1768 1 4 . 1 1 71 71 ALA H H 71 8.330 8.330 8.739 -0.409 25493 1769 1 4 . 1 1 72 72 LYS N N 72 118.200 118.200 116.835 1.365 25493 1770 1 4 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.345 -0.385 25493 1771 1 4 . 1 1 72 72 LYS C C 72 179.800 179.800 178.644 1.156 25493 1772 1 4 . 1 1 72 72 LYS CA C 72 59.800 59.800 58.391 1.409 25493 1773 1 4 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.128 0.372 25493 1774 1 4 . 1 1 72 72 LYS H H 72 8.150 8.150 7.787 0.363 25493 1775 1 4 . 1 1 73 73 ARG N N 73 120.600 120.600 120.713 -0.113 25493 1776 1 4 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.198 -0.208 25493 1777 1 4 . 1 1 73 73 ARG C C 73 180.100 180.100 178.214 1.886 25493 1778 1 4 . 1 1 73 73 ARG CA C 73 59.300 59.300 58.618 0.682 25493 1779 1 4 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.360 1.640 25493 1780 1 4 . 1 1 73 73 ARG H H 73 8.140 8.140 8.496 -0.356 25493 1781 1 4 . 1 1 74 74 ALA N N 74 121.700 121.700 122.043 -0.343 25493 1782 1 4 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.102 -0.322 25493 1783 1 4 . 1 1 74 74 ALA C C 74 178.100 178.100 179.473 -1.373 25493 1784 1 4 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.334 -0.434 25493 1785 1 4 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.322 -1.122 25493 1786 1 4 . 1 1 74 74 ALA H H 74 8.970 8.970 8.336 0.634 25493 1787 1 4 . 1 1 75 75 LYS N N 75 117.900 117.900 118.727 -0.827 25493 1788 1 4 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.069 -0.330 25493 1789 1 4 . 1 1 75 75 LYS C C 75 178.300 178.300 178.606 -0.306 25493 1790 1 4 . 1 1 75 75 LYS CA C 75 60.300 60.300 58.945 1.355 25493 1791 1 4 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.175 0.325 25493 1792 1 4 . 1 1 75 75 LYS H H 75 8.200 8.200 7.630 0.570 25493 1793 1 4 . 1 1 76 76 LYS N N 76 118.800 118.800 120.300 -1.500 25493 1794 1 4 . 1 1 76 76 LYS HA H 76 3.890 3.890 3.941 -0.051 25493 1795 1 4 . 1 1 76 76 LYS C C 76 179.200 179.200 178.534 0.666 25493 1796 1 4 . 1 1 76 76 LYS CA C 76 59.800 59.800 58.926 0.874 25493 1797 1 4 . 1 1 76 76 LYS CB C 76 32.400 32.400 31.991 0.409 25493 1798 1 4 . 1 1 76 76 LYS H H 76 7.630 7.630 7.552 0.078 25493 1799 1 4 . 1 1 77 77 LEU N N 77 121.400 121.400 118.006 3.394 25493 1800 1 4 . 1 1 77 77 LEU HA H 77 3.630 3.630 3.850 -0.220 25493 1801 1 4 . 1 1 77 77 LEU C C 77 178.200 178.200 178.744 -0.544 25493 1802 1 4 . 1 1 77 77 LEU CA C 77 57.600 57.600 57.503 0.097 25493 1803 1 4 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.172 -0.372 25493 1804 1 4 . 1 1 77 77 LEU H H 77 7.430 7.430 7.644 -0.214 25493 1805 1 4 . 1 1 78 78 LEU N N 78 117.600 117.600 120.754 -3.154 25493 1806 1 4 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.652 0.108 25493 1807 1 4 . 1 1 78 78 LEU C C 78 180.300 180.300 178.698 1.602 25493 1808 1 4 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.838 0.262 25493 1809 1 4 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.891 0.309 25493 1810 1 4 . 1 1 78 78 LEU H H 78 7.960 7.960 8.325 -0.365 25493 1811 1 4 . 1 1 79 79 ARG N N 79 119.800 119.800 117.370 2.430 25493 1812 1 4 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.889 0.221 25493 1813 1 4 . 1 1 79 79 ARG C C 79 179.500 179.500 178.401 1.099 25493 1814 1 4 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.924 0.276 25493 1815 1 4 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.510 0.190 25493 1816 1 4 . 1 1 79 79 ARG H H 79 8.110 8.110 8.179 -0.069 25493 1817 1 4 . 1 1 80 80 SER N N 80 117.800 117.800 114.493 3.307 25493 1818 1 4 . 1 1 80 80 SER HA H 80 4.310 4.310 4.209 0.101 25493 1819 1 4 . 1 1 80 80 SER C C 80 177.000 177.000 174.768 2.232 25493 1820 1 4 . 1 1 80 80 SER CA C 80 61.500 61.500 59.849 1.651 25493 1821 1 4 . 1 1 80 80 SER CB C 80 62.500 62.500 63.093 -0.593 25493 1822 1 4 . 1 1 80 80 SER H H 80 7.870 7.870 7.468 0.402 25493 1823 1 4 . 1 1 81 81 TRP N N 81 123.300 123.300 117.318 5.982 25493 1824 1 4 . 1 1 81 81 TRP HA H 81 4.810 4.810 4.984 -0.174 25493 1825 1 4 . 1 1 81 81 TRP C C 81 178.200 178.200 177.031 1.169 25493 1826 1 4 . 1 1 81 81 TRP CA C 81 56.500 56.500 56.631 -0.131 25493 1827 1 4 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.574 0.626 25493 1828 1 4 . 1 1 81 81 TRP H H 81 8.010 8.010 7.447 0.563 25493 1829 1 4 . 1 1 82 82 GLN N N 82 120.400 120.400 121.960 -1.560 25493 1830 1 4 . 1 1 82 82 GLN HA H 82 4.080 4.080 3.978 0.102 25493 1831 1 4 . 1 1 82 82 GLN C C 82 177.600 177.600 176.746 0.854 25493 1832 1 4 . 1 1 82 82 GLN CA C 82 59.200 59.200 59.170 0.030 25493 1833 1 4 . 1 1 82 82 GLN CB C 82 28.200 28.200 27.926 0.274 25493 1834 1 4 . 1 1 82 82 GLN H H 82 8.080 8.080 8.149 -0.069 25493 1835 1 4 . 1 1 83 83 LYS N N 83 115.600 115.600 116.092 -0.492 25493 1836 1 4 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.190 0.030 25493 1837 1 4 . 1 1 83 83 LYS C C 83 177.400 177.400 177.167 0.233 25493 1838 1 4 . 1 1 83 83 LYS CA C 83 57.600 57.600 57.908 -0.308 25493 1839 1 4 . 1 1 83 83 LYS CB C 83 32.500 32.500 31.924 0.576 25493 1840 1 4 . 1 1 83 83 LYS H H 83 7.770 7.770 8.354 -0.584 25493 1841 1 4 . 1 1 84 84 LEU N N 84 117.900 117.900 117.816 0.084 25493 1842 1 4 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.514 -0.234 25493 1843 1 4 . 1 1 84 84 LEU C C 84 177.500 177.500 177.319 0.181 25493 1844 1 4 . 1 1 84 84 LEU CA C 84 56.000 56.000 54.948 1.052 25493 1845 1 4 . 1 1 84 84 LEU CB C 84 42.900 42.900 44.452 -1.552 25493 1846 1 4 . 1 1 84 84 LEU H H 84 7.670 7.670 7.967 -0.297 25493 1847 1 4 . 1 1 85 85 ILE N N 85 115.400 115.400 114.352 1.048 25493 1848 1 4 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.400 -0.270 25493 1849 1 4 . 1 1 85 85 ILE C C 85 175.100 175.100 174.841 0.259 25493 1850 1 4 . 1 1 85 85 ILE CA C 85 61.400 61.400 58.950 2.450 25493 1851 1 4 . 1 1 85 85 ILE CB C 85 39.600 39.600 40.216 -0.616 25493 1852 1 4 . 1 1 85 85 ILE H H 85 7.490 7.490 7.863 -0.373 25493 1853 1 5 . 1 1 7 7 ALA N N 7 123.700 123.700 122.840 0.860 25493 1854 1 5 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.534 -0.114 25493 1855 1 5 . 1 1 7 7 ALA C C 7 176.700 176.700 175.355 1.345 25493 1856 1 5 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.815 -0.215 25493 1857 1 5 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.876 -0.976 25493 1858 1 5 . 1 1 7 7 ALA H H 7 8.040 8.040 7.922 0.118 25493 1859 1 5 . 1 1 8 8 SER N N 8 117.100 117.100 116.752 0.348 25493 1860 1 5 . 1 1 8 8 SER HA H 8 4.750 4.750 4.349 0.401 25493 1861 1 5 . 1 1 8 8 SER CA C 8 56.000 56.000 56.157 -0.157 25493 1862 1 5 . 1 1 8 8 SER CB C 8 63.300 63.300 63.531 -0.231 25493 1863 1 5 . 1 1 8 8 SER H H 8 8.430 8.430 8.367 0.063 25493 1864 1 5 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.924 0.016 25493 1865 1 5 . 1 1 9 9 PRO C C 9 177.400 177.400 178.321 -0.921 25493 1866 1 5 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.573 0.227 25493 1867 1 5 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.626 0.374 25493 1868 1 5 . 1 1 10 10 GLN N N 10 116.000 116.000 116.210 -0.210 25493 1869 1 5 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.016 -0.356 25493 1870 1 5 . 1 1 10 10 GLN C C 10 177.500 177.500 178.203 -0.703 25493 1871 1 5 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.519 0.781 25493 1872 1 5 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.987 -0.487 25493 1873 1 5 . 1 1 10 10 GLN H H 10 8.350 8.350 8.376 -0.026 25493 1874 1 5 . 1 1 11 11 GLN N N 11 119.200 119.200 118.072 1.128 25493 1875 1 5 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.136 -0.056 25493 1876 1 5 . 1 1 11 11 GLN C C 11 179.600 179.600 178.116 1.484 25493 1877 1 5 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.477 0.423 25493 1878 1 5 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.471 0.129 25493 1879 1 5 . 1 1 11 11 GLN H H 11 7.680 7.680 7.677 0.003 25493 1880 1 5 . 1 1 12 12 ILE N N 12 121.300 121.300 113.146 8.154 25493 1881 1 5 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.919 -0.389 25493 1882 1 5 . 1 1 12 12 ILE C C 12 177.200 177.200 177.504 -0.304 25493 1883 1 5 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.711 1.589 25493 1884 1 5 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.401 -0.001 25493 1885 1 5 . 1 1 12 12 ILE H H 12 8.190 8.190 8.162 0.027 25493 1886 1 5 . 1 1 13 13 ARG N N 13 120.200 120.200 121.837 -1.637 25493 1887 1 5 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.899 -0.159 25493 1888 1 5 . 1 1 13 13 ARG C C 13 177.700 177.700 177.925 -0.225 25493 1889 1 5 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.927 0.373 25493 1890 1 5 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.981 -1.781 25493 1891 1 5 . 1 1 13 13 ARG H H 13 8.320 8.320 8.012 0.308 25493 1892 1 5 . 1 1 14 14 ASP N N 14 119.200 119.200 118.284 0.916 25493 1893 1 5 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.577 -0.247 25493 1894 1 5 . 1 1 14 14 ASP C C 14 178.800 178.800 176.947 1.853 25493 1895 1 5 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.577 2.423 25493 1896 1 5 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.010 -0.410 25493 1897 1 5 . 1 1 14 14 ASP H H 14 8.280 8.280 8.132 0.148 25493 1898 1 5 . 1 1 15 15 ARG N N 15 120.400 120.400 117.770 2.630 25493 1899 1 5 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.412 -0.442 25493 1900 1 5 . 1 1 15 15 ARG C C 15 179.300 179.300 176.531 2.769 25493 1901 1 5 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.438 2.762 25493 1902 1 5 . 1 1 15 15 ARG CB C 15 30.000 30.000 30.788 -0.788 25493 1903 1 5 . 1 1 15 15 ARG H H 15 7.980 7.980 7.765 0.215 25493 1904 1 5 . 1 1 16 16 LEU N N 16 120.500 120.500 118.794 1.706 25493 1905 1 5 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.541 -0.571 25493 1906 1 5 . 1 1 16 16 LEU C C 16 178.500 178.500 176.956 1.544 25493 1907 1 5 . 1 1 16 16 LEU CA C 16 58.100 58.100 57.436 0.664 25493 1908 1 5 . 1 1 16 16 LEU CB C 16 41.200 41.200 42.936 -1.736 25493 1909 1 5 . 1 1 16 16 LEU H H 16 8.210 8.210 8.062 0.148 25493 1910 1 5 . 1 1 17 17 LEU N N 17 116.100 116.100 119.541 -3.441 25493 1911 1 5 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.033 -0.033 25493 1912 1 5 . 1 1 17 17 LEU C C 17 179.400 179.400 178.699 0.701 25493 1913 1 5 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.804 -0.204 25493 1914 1 5 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.641 0.059 25493 1915 1 5 . 1 1 17 17 LEU H H 17 8.310 8.310 8.334 -0.024 25493 1916 1 5 . 1 1 18 18 GLN N N 18 114.300 114.300 115.255 -0.955 25493 1917 1 5 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.115 0.125 25493 1918 1 5 . 1 1 18 18 GLN C C 18 176.700 176.700 178.239 -1.539 25493 1919 1 5 . 1 1 18 18 GLN CA C 18 57.000 57.000 57.470 -0.470 25493 1920 1 5 . 1 1 18 18 GLN CB C 18 28.800 28.800 28.302 0.498 25493 1921 1 5 . 1 1 18 18 GLN H H 18 7.460 7.460 7.803 -0.343 25493 1922 1 5 . 1 1 19 19 ALA N N 19 120.800 120.800 121.548 -0.748 25493 1923 1 5 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.253 0.237 25493 1924 1 5 . 1 1 19 19 ALA C C 19 176.000 176.000 177.556 -1.556 25493 1925 1 5 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.858 -1.258 25493 1926 1 5 . 1 1 19 19 ALA CB C 19 22.100 22.100 18.919 3.181 25493 1927 1 5 . 1 1 19 19 ALA H H 19 7.770 7.770 7.291 0.479 25493 1928 1 5 . 1 1 20 20 ILE N N 20 113.500 113.500 112.626 0.874 25493 1929 1 5 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.610 0.590 25493 1930 1 5 . 1 1 20 20 ILE C C 20 173.600 173.600 174.461 -0.861 25493 1931 1 5 . 1 1 20 20 ILE CA C 20 59.200 59.200 58.984 0.216 25493 1932 1 5 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.520 2.280 25493 1933 1 5 . 1 1 20 20 ILE H H 20 7.360 7.360 7.657 -0.297 25493 1934 1 5 . 1 1 21 21 ASP N N 21 122.500 122.500 119.167 3.333 25493 1935 1 5 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.027 -0.047 25493 1936 1 5 . 1 1 21 21 ASP CA C 21 52.100 52.100 52.091 0.009 25493 1937 1 5 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.416 -0.216 25493 1938 1 5 . 1 1 21 21 ASP H H 21 8.530 8.530 8.474 0.056 25493 1939 1 5 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.606 -0.156 25493 1940 1 5 . 1 1 22 22 PRO C C 22 177.500 177.500 175.781 1.719 25493 1941 1 5 . 1 1 22 22 PRO CA C 22 65.200 65.200 63.403 1.797 25493 1942 1 5 . 1 1 22 22 PRO CB C 22 31.900 31.900 30.726 1.174 25493 1943 1 5 . 1 1 23 23 GLN N N 23 115.900 115.900 120.384 -4.484 25493 1944 1 5 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.553 -0.133 25493 1945 1 5 . 1 1 23 23 GLN C C 23 174.800 174.800 175.228 -0.428 25493 1946 1 5 . 1 1 23 23 GLN CA C 23 55.400 55.400 56.329 -0.929 25493 1947 1 5 . 1 1 23 23 GLN CB C 23 28.700 28.700 30.273 -1.573 25493 1948 1 5 . 1 1 23 23 GLN H H 23 7.950 7.950 8.452 -0.502 25493 1949 1 5 . 1 1 24 24 SER N N 24 107.900 107.900 110.887 -2.987 25493 1950 1 5 . 1 1 24 24 SER HA H 24 3.730 3.730 4.586 -0.856 25493 1951 1 5 . 1 1 24 24 SER C C 24 173.200 173.200 174.070 -0.870 25493 1952 1 5 . 1 1 24 24 SER CA C 24 60.300 60.300 57.456 2.845 25493 1953 1 5 . 1 1 24 24 SER CB C 24 60.300 60.300 64.369 -4.069 25493 1954 1 5 . 1 1 24 24 SER H H 24 8.270 8.270 8.089 0.181 25493 1955 1 5 . 1 1 25 25 ASN N N 25 117.000 117.000 121.775 -4.775 25493 1956 1 5 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.760 -0.230 25493 1957 1 5 . 1 1 25 25 ASN C C 25 175.600 175.600 174.619 0.981 25493 1958 1 5 . 1 1 25 25 ASN CA C 25 52.800 52.800 53.815 -1.015 25493 1959 1 5 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.528 -1.028 25493 1960 1 5 . 1 1 25 25 ASN H H 25 8.500 8.500 7.542 0.959 25493 1961 1 5 . 1 1 26 26 ILE N N 26 122.400 122.400 118.146 4.254 25493 1962 1 5 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.168 -0.348 25493 1963 1 5 . 1 1 26 26 ILE C C 26 176.400 176.400 176.783 -0.383 25493 1964 1 5 . 1 1 26 26 ILE CA C 26 63.600 63.600 60.960 2.640 25493 1965 1 5 . 1 1 26 26 ILE CB C 26 38.600 38.600 38.854 -0.254 25493 1966 1 5 . 1 1 26 26 ILE H H 26 8.890 8.890 8.563 0.327 25493 1967 1 5 . 1 1 27 27 ARG N N 27 127.600 127.600 118.362 9.238 25493 1968 1 5 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.851 0.679 25493 1969 1 5 . 1 1 27 27 ARG C C 27 176.000 176.000 176.628 -0.628 25493 1970 1 5 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.985 -2.485 25493 1971 1 5 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.767 2.633 25493 1972 1 5 . 1 1 27 27 ARG H H 27 9.070 9.070 8.410 0.660 25493 1973 1 5 . 1 1 28 28 ASN N N 28 117.300 117.300 119.350 -2.050 25493 1974 1 5 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.936 -0.006 25493 1975 1 5 . 1 1 28 28 ASN C C 28 174.300 174.300 175.311 -1.011 25493 1976 1 5 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.906 -0.305 25493 1977 1 5 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.357 0.643 25493 1978 1 5 . 1 1 28 28 ASN H H 28 7.510 7.510 8.301 -0.791 25493 1979 1 5 . 1 1 29 29 MET N N 29 125.700 125.700 122.677 3.023 25493 1980 1 5 . 1 1 29 29 MET HA H 29 4.190 4.190 4.142 0.048 25493 1981 1 5 . 1 1 29 29 MET C C 29 177.300 177.300 176.982 0.318 25493 1982 1 5 . 1 1 29 29 MET CA C 29 57.600 57.600 58.989 -1.389 25493 1983 1 5 . 1 1 29 29 MET CB C 29 31.400 31.400 32.883 -1.483 25493 1984 1 5 . 1 1 29 29 MET H H 29 8.940 8.940 8.064 0.876 25493 1985 1 5 . 1 1 30 30 VAL N N 30 118.600 118.600 114.682 3.918 25493 1986 1 5 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.779 -0.259 25493 1987 1 5 . 1 1 30 30 VAL C C 30 178.800 178.800 177.208 1.592 25493 1988 1 5 . 1 1 30 30 VAL CA C 30 66.900 66.900 64.796 2.103 25493 1989 1 5 . 1 1 30 30 VAL CB C 30 31.500 31.500 31.252 0.249 25493 1990 1 5 . 1 1 30 30 VAL H H 30 7.910 7.910 7.686 0.224 25493 1991 1 5 . 1 1 31 31 ALA N N 31 120.600 120.600 122.497 -1.897 25493 1992 1 5 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.235 -0.105 25493 1993 1 5 . 1 1 31 31 ALA C C 31 180.300 180.300 179.069 1.231 25493 1994 1 5 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.877 -0.577 25493 1995 1 5 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.590 0.310 25493 1996 1 5 . 1 1 31 31 ALA H H 31 7.270 7.270 8.074 -0.804 25493 1997 1 5 . 1 1 32 32 VAL N N 32 117.900 117.900 117.914 -0.014 25493 1998 1 5 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.900 -0.520 25493 1999 1 5 . 1 1 32 32 VAL C C 32 177.700 177.700 176.713 0.987 25493 2000 1 5 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.210 3.490 25493 2001 1 5 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.246 -1.347 25493 2002 1 5 . 1 1 32 32 VAL H H 32 7.640 7.640 7.509 0.131 25493 2003 1 5 . 1 1 33 33 LEU N N 33 119.900 119.900 119.358 0.542 25493 2004 1 5 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.334 -0.424 25493 2005 1 5 . 1 1 33 33 LEU C C 33 179.900 179.900 178.509 1.391 25493 2006 1 5 . 1 1 33 33 LEU CA C 33 58.300 58.300 56.948 1.352 25493 2007 1 5 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.568 -0.868 25493 2008 1 5 . 1 1 33 33 LEU H H 33 8.450 8.450 7.931 0.519 25493 2009 1 5 . 1 1 34 34 GLU N N 34 121.200 121.200 120.077 1.123 25493 2010 1 5 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.043 0.017 25493 2011 1 5 . 1 1 34 34 GLU C C 34 179.800 179.800 178.799 1.001 25493 2012 1 5 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.530 0.270 25493 2013 1 5 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.515 -0.215 25493 2014 1 5 . 1 1 34 34 GLU H H 34 8.080 8.080 7.623 0.457 25493 2015 1 5 . 1 1 35 35 VAL N N 35 122.400 122.400 118.370 4.030 25493 2016 1 5 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.885 -0.285 25493 2017 1 5 . 1 1 35 35 VAL C C 35 177.900 177.900 177.414 0.486 25493 2018 1 5 . 1 1 35 35 VAL CA C 35 67.100 67.100 65.127 1.973 25493 2019 1 5 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.939 -1.039 25493 2020 1 5 . 1 1 35 35 VAL H H 35 8.060 8.060 7.323 0.737 25493 2021 1 5 . 1 1 36 36 ILE N N 36 119.800 119.800 119.874 -0.074 25493 2022 1 5 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.859 -0.299 25493 2023 1 5 . 1 1 36 36 ILE C C 36 177.500 177.500 178.196 -0.696 25493 2024 1 5 . 1 1 36 36 ILE CA C 36 64.200 64.200 63.748 0.452 25493 2025 1 5 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.500 -0.200 25493 2026 1 5 . 1 1 36 36 ILE H H 36 8.420 8.420 7.225 1.195 25493 2027 1 5 . 1 1 37 37 SER N N 37 114.700 114.700 113.685 1.015 25493 2028 1 5 . 1 1 37 37 SER HA H 37 4.290 4.290 4.336 -0.046 25493 2029 1 5 . 1 1 37 37 SER C C 37 177.300 177.300 175.840 1.460 25493 2030 1 5 . 1 1 37 37 SER CA C 37 61.900 61.900 60.707 1.193 25493 2031 1 5 . 1 1 37 37 SER CB C 37 63.100 63.100 62.752 0.348 25493 2032 1 5 . 1 1 37 37 SER H H 37 8.430 8.430 7.799 0.631 25493 2033 1 5 . 1 1 38 38 SER N N 38 117.200 117.200 117.902 -0.702 25493 2034 1 5 . 1 1 38 38 SER HA H 38 4.290 4.290 4.469 -0.179 25493 2035 1 5 . 1 1 38 38 SER C C 38 176.700 176.700 176.150 0.550 25493 2036 1 5 . 1 1 38 38 SER CA C 38 62.500 62.500 60.979 1.521 25493 2037 1 5 . 1 1 38 38 SER CB C 38 63.100 63.100 63.520 -0.420 25493 2038 1 5 . 1 1 38 38 SER H H 38 8.200 8.200 7.751 0.449 25493 2039 1 5 . 1 1 39 39 LEU N N 39 121.600 121.600 121.749 -0.149 25493 2040 1 5 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.176 0.194 25493 2041 1 5 . 1 1 39 39 LEU C C 39 178.700 178.700 178.069 0.631 25493 2042 1 5 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.851 -0.751 25493 2043 1 5 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.779 1.021 25493 2044 1 5 . 1 1 39 39 LEU H H 39 8.150 8.150 8.496 -0.346 25493 2045 1 5 . 1 1 40 40 GLU N N 40 118.600 118.600 114.575 4.025 25493 2046 1 5 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.283 -0.383 25493 2047 1 5 . 1 1 40 40 GLU C C 40 178.100 178.100 177.354 0.746 25493 2048 1 5 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.000 0.700 25493 2049 1 5 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.466 0.834 25493 2050 1 5 . 1 1 40 40 GLU H H 40 8.190 8.190 7.914 0.276 25493 2051 1 5 . 1 1 41 41 LYS N N 41 116.300 116.300 115.432 0.868 25493 2052 1 5 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.415 -0.185 25493 2053 1 5 . 1 1 41 41 LYS C C 41 175.800 175.800 176.577 -0.777 25493 2054 1 5 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.827 0.773 25493 2055 1 5 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.554 0.046 25493 2056 1 5 . 1 1 41 41 LYS H H 41 7.440 7.440 7.735 -0.295 25493 2057 1 5 . 1 1 42 42 TYR N N 42 121.400 121.400 125.892 -4.492 25493 2058 1 5 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.714 0.146 25493 2059 1 5 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.945 -0.545 25493 2060 1 5 . 1 1 42 42 TYR CB C 42 39.600 39.600 39.177 0.423 25493 2061 1 5 . 1 1 42 42 TYR H H 42 7.730 7.730 8.160 -0.430 25493 2062 1 5 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.606 0.154 25493 2063 1 5 . 1 1 43 43 PRO C C 43 175.800 175.800 175.890 -0.090 25493 2064 1 5 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.685 -0.185 25493 2065 1 5 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.389 -0.089 25493 2066 1 5 . 1 1 44 44 ILE N N 44 124.000 124.000 124.617 -0.617 25493 2067 1 5 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.062 0.408 25493 2068 1 5 . 1 1 44 44 ILE C C 44 174.300 174.300 176.576 -2.276 25493 2069 1 5 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.565 -1.265 25493 2070 1 5 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.883 2.817 25493 2071 1 5 . 1 1 44 44 ILE H H 44 8.200 8.200 7.849 0.351 25493 2072 1 5 . 1 1 45 45 THR N N 45 112.200 112.200 116.209 -4.009 25493 2073 1 5 . 1 1 45 45 THR HA H 45 4.530 4.530 4.619 -0.089 25493 2074 1 5 . 1 1 45 45 THR C C 45 175.100 175.100 175.352 -0.252 25493 2075 1 5 . 1 1 45 45 THR CA C 45 59.800 59.800 60.389 -0.590 25493 2076 1 5 . 1 1 45 45 THR CB C 45 72.300 72.300 70.701 1.599 25493 2077 1 5 . 1 1 45 45 THR H H 45 7.330 7.330 7.954 -0.624 25493 2078 1 5 . 1 1 46 46 LYS N N 46 121.500 121.500 124.973 -3.473 25493 2079 1 5 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.836 -0.096 25493 2080 1 5 . 1 1 46 46 LYS C C 46 178.200 178.200 178.552 -0.352 25493 2081 1 5 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.530 0.470 25493 2082 1 5 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.688 0.812 25493 2083 1 5 . 1 1 46 46 LYS H H 46 9.090 9.090 8.896 0.194 25493 2084 1 5 . 1 1 47 47 GLU N N 47 118.400 118.400 118.400 0.000 25493 2085 1 5 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.054 -0.034 25493 2086 1 5 . 1 1 47 47 GLU C C 47 179.000 179.000 177.527 1.473 25493 2087 1 5 . 1 1 47 47 GLU CA C 47 60.800 60.800 58.506 2.294 25493 2088 1 5 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.372 -0.672 25493 2089 1 5 . 1 1 47 47 GLU H H 47 9.010 9.010 8.737 0.273 25493 2090 1 5 . 1 1 48 48 ALA N N 48 122.300 122.300 121.198 1.102 25493 2091 1 5 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.356 -0.086 25493 2092 1 5 . 1 1 48 48 ALA C C 48 181.900 181.900 179.114 2.786 25493 2093 1 5 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.467 1.433 25493 2094 1 5 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.921 -1.121 25493 2095 1 5 . 1 1 48 48 ALA H H 48 7.860 7.860 7.564 0.296 25493 2096 1 5 . 1 1 49 49 LEU N N 49 122.200 122.200 122.099 0.101 25493 2097 1 5 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.111 -0.531 25493 2098 1 5 . 1 1 49 49 LEU C C 49 179.800 179.800 178.045 1.755 25493 2099 1 5 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.653 1.047 25493 2100 1 5 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.523 -0.223 25493 2101 1 5 . 1 1 49 49 LEU H H 49 8.260 8.260 8.346 -0.086 25493 2102 1 5 . 1 1 50 50 GLU N N 50 120.400 120.400 117.979 2.421 25493 2103 1 5 . 1 1 50 50 GLU HA H 50 4.040 4.040 3.987 0.053 25493 2104 1 5 . 1 1 50 50 GLU C C 50 178.900 178.900 178.677 0.223 25493 2105 1 5 . 1 1 50 50 GLU CA C 50 59.200 59.200 59.314 -0.114 25493 2106 1 5 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.140 0.060 25493 2107 1 5 . 1 1 50 50 GLU H H 50 8.120 8.120 8.528 -0.408 25493 2108 1 5 . 1 1 51 51 GLU N N 51 118.500 118.500 119.798 -1.298 25493 2109 1 5 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.169 -0.119 25493 2110 1 5 . 1 1 51 51 GLU C C 51 178.800 178.800 178.175 0.625 25493 2111 1 5 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.491 0.709 25493 2112 1 5 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.440 0.860 25493 2113 1 5 . 1 1 51 51 GLU H H 51 8.200 8.200 8.185 0.015 25493 2114 1 5 . 1 1 52 52 THR N N 52 104.700 104.700 110.146 -5.446 25493 2115 1 5 . 1 1 52 52 THR HA H 52 4.090 4.090 4.313 -0.223 25493 2116 1 5 . 1 1 52 52 THR C C 52 175.400 175.400 174.743 0.657 25493 2117 1 5 . 1 1 52 52 THR CA C 52 63.100 63.100 62.340 0.760 25493 2118 1 5 . 1 1 52 52 THR CB C 52 71.800 71.800 69.344 2.456 25493 2119 1 5 . 1 1 52 52 THR H H 52 7.840 7.840 8.009 -0.169 25493 2120 1 5 . 1 1 53 53 ARG N N 53 114.400 114.400 117.211 -2.811 25493 2121 1 5 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.941 0.169 25493 2122 1 5 . 1 1 53 53 ARG C C 53 177.200 177.200 176.653 0.547 25493 2123 1 5 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.657 0.643 25493 2124 1 5 . 1 1 53 53 ARG CB C 53 27.500 27.500 26.769 0.731 25493 2125 1 5 . 1 1 53 53 ARG H H 53 7.680 7.680 7.394 0.286 25493 2126 1 5 . 1 1 54 54 LEU N N 54 117.200 117.200 120.222 -3.022 25493 2127 1 5 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.069 -0.259 25493 2128 1 5 . 1 1 54 54 LEU C C 54 178.200 178.200 178.479 -0.279 25493 2129 1 5 . 1 1 54 54 LEU CA C 54 58.700 58.700 58.326 0.374 25493 2130 1 5 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.417 1.983 25493 2131 1 5 . 1 1 54 54 LEU H H 54 7.460 7.460 7.622 -0.162 25493 2132 1 5 . 1 1 55 55 GLY N N 55 105.900 105.900 105.870 0.030 25493 2133 1 5 . 1 1 55 55 GLY C C 55 175.500 175.500 175.859 -0.359 25493 2134 1 5 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.240 -0.040 25493 2135 1 5 . 1 1 55 55 GLY H H 55 8.650 8.650 8.238 0.412 25493 2136 1 5 . 1 1 56 56 LYS N N 56 123.300 123.300 121.915 1.385 25493 2137 1 5 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.106 0.004 25493 2138 1 5 . 1 1 56 56 LYS C C 56 178.300 178.300 178.617 -0.317 25493 2139 1 5 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.922 0.278 25493 2140 1 5 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.446 0.054 25493 2141 1 5 . 1 1 56 56 LYS H H 56 7.210 7.210 7.409 -0.199 25493 2142 1 5 . 1 1 57 57 LEU N N 57 117.700 117.700 121.490 -3.790 25493 2143 1 5 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.136 0.043 25493 2144 1 5 . 1 1 57 57 LEU C C 57 179.600 179.600 178.561 1.039 25493 2145 1 5 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.632 0.068 25493 2146 1 5 . 1 1 57 57 LEU CB C 57 43.400 43.400 42.149 1.251 25493 2147 1 5 . 1 1 57 57 LEU H H 57 7.900 7.900 8.076 -0.176 25493 2148 1 5 . 1 1 58 58 ILE N N 58 116.600 116.600 118.704 -2.104 25493 2149 1 5 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.753 -0.073 25493 2150 1 5 . 1 1 58 58 ILE C C 58 177.900 177.900 178.102 -0.202 25493 2151 1 5 . 1 1 58 58 ILE CA C 58 63.100 63.100 63.871 -0.771 25493 2152 1 5 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.587 -0.787 25493 2153 1 5 . 1 1 58 58 ILE H H 58 8.640 8.640 8.474 0.166 25493 2154 1 5 . 1 1 59 59 ASN N N 59 119.600 119.600 118.995 0.605 25493 2155 1 5 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.495 -0.125 25493 2156 1 5 . 1 1 59 59 ASN C C 59 176.700 176.700 176.813 -0.113 25493 2157 1 5 . 1 1 59 59 ASN CA C 59 57.000 57.000 56.558 0.442 25493 2158 1 5 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.384 0.116 25493 2159 1 5 . 1 1 59 59 ASN H H 59 8.120 8.120 8.270 -0.150 25493 2160 1 5 . 1 1 60 60 ASP N N 60 119.600 119.600 120.192 -0.592 25493 2161 1 5 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.514 -0.134 25493 2162 1 5 . 1 1 60 60 ASP C C 60 179.400 179.400 178.318 1.082 25493 2163 1 5 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.454 0.146 25493 2164 1 5 . 1 1 60 60 ASP CB C 60 39.600 39.600 41.503 -1.903 25493 2165 1 5 . 1 1 60 60 ASP H H 60 8.490 8.490 7.562 0.928 25493 2166 1 5 . 1 1 61 61 VAL N N 61 118.700 118.700 121.371 -2.671 25493 2167 1 5 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.875 -0.125 25493 2168 1 5 . 1 1 61 61 VAL C C 61 179.000 179.000 177.029 1.971 25493 2169 1 5 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.631 0.169 25493 2170 1 5 . 1 1 61 61 VAL CB C 61 32.500 32.500 31.899 0.601 25493 2171 1 5 . 1 1 61 61 VAL H H 61 7.930 7.930 8.410 -0.480 25493 2172 1 5 . 1 1 62 62 ARG N N 62 120.900 120.900 116.769 4.131 25493 2173 1 5 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.089 -0.439 25493 2174 1 5 . 1 1 62 62 ARG C C 62 177.100 177.100 177.029 0.071 25493 2175 1 5 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.481 0.719 25493 2176 1 5 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.987 -0.187 25493 2177 1 5 . 1 1 62 62 ARG H H 62 8.620 8.620 7.676 0.944 25493 2178 1 5 . 1 1 63 63 LYS N N 63 115.700 115.700 117.823 -2.123 25493 2179 1 5 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.276 -0.346 25493 2180 1 5 . 1 1 63 63 LYS C C 63 177.600 177.600 177.786 -0.186 25493 2181 1 5 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.731 1.469 25493 2182 1 5 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.190 0.810 25493 2183 1 5 . 1 1 63 63 LYS H H 63 7.940 7.940 7.520 0.420 25493 2184 1 5 . 1 1 64 64 LYS N N 64 115.300 115.300 119.323 -4.023 25493 2185 1 5 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.288 0.142 25493 2186 1 5 . 1 1 64 64 LYS C C 64 176.900 176.900 176.927 -0.027 25493 2187 1 5 . 1 1 64 64 LYS CA C 64 55.400 55.400 57.597 -2.197 25493 2188 1 5 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.666 0.434 25493 2189 1 5 . 1 1 64 64 LYS H H 64 7.130 7.130 7.683 -0.553 25493 2190 1 5 . 1 1 65 65 THR N N 65 113.500 113.500 112.548 0.952 25493 2191 1 5 . 1 1 65 65 THR HA H 65 4.520 4.520 4.564 -0.044 25493 2192 1 5 . 1 1 65 65 THR C C 65 173.200 173.200 173.287 -0.087 25493 2193 1 5 . 1 1 65 65 THR CA C 65 62.000 62.000 60.847 1.153 25493 2194 1 5 . 1 1 65 65 THR CB C 65 69.600 69.600 70.122 -0.522 25493 2195 1 5 . 1 1 65 65 THR H H 65 7.250 7.250 7.686 -0.436 25493 2196 1 5 . 1 1 66 66 LYS N N 66 125.700 125.700 121.571 4.129 25493 2197 1 5 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.553 -0.043 25493 2198 1 5 . 1 1 66 66 LYS C C 66 175.900 175.900 175.710 0.190 25493 2199 1 5 . 1 1 66 66 LYS CA C 66 55.400 55.400 55.389 0.011 25493 2200 1 5 . 1 1 66 66 LYS CB C 66 32.000 32.000 31.095 0.905 25493 2201 1 5 . 1 1 66 66 LYS H H 66 8.500 8.500 8.434 0.066 25493 2202 1 5 . 1 1 67 67 ASN N N 67 122.100 122.100 121.053 1.047 25493 2203 1 5 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.642 0.048 25493 2204 1 5 . 1 1 67 67 ASN C C 67 174.400 174.400 176.244 -1.844 25493 2205 1 5 . 1 1 67 67 ASN CA C 67 53.200 53.200 52.505 0.695 25493 2206 1 5 . 1 1 67 67 ASN CB C 67 39.000 39.000 38.199 0.801 25493 2207 1 5 . 1 1 67 67 ASN H H 67 8.570 8.570 8.373 0.197 25493 2208 1 5 . 1 1 68 68 GLU N N 68 128.400 128.400 122.600 5.800 25493 2209 1 5 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.900 0.090 25493 2210 1 5 . 1 1 68 68 GLU C C 68 178.500 178.500 176.869 1.631 25493 2211 1 5 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.116 0.184 25493 2212 1 5 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.034 0.766 25493 2213 1 5 . 1 1 68 68 GLU H H 68 8.850 8.850 8.252 0.598 25493 2214 1 5 . 1 1 69 69 GLU N N 69 120.300 120.300 119.034 1.266 25493 2215 1 5 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.289 -0.259 25493 2216 1 5 . 1 1 69 69 GLU C C 69 179.000 179.000 177.875 1.125 25493 2217 1 5 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.093 2.107 25493 2218 1 5 . 1 1 69 69 GLU CB C 69 29.200 29.200 30.121 -0.921 25493 2219 1 5 . 1 1 69 69 GLU H H 69 8.190 8.190 8.028 0.162 25493 2220 1 5 . 1 1 70 70 LEU N N 70 121.300 121.300 122.244 -0.944 25493 2221 1 5 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.105 -0.235 25493 2222 1 5 . 1 1 70 70 LEU C C 70 178.500 178.500 178.751 -0.251 25493 2223 1 5 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.224 0.976 25493 2224 1 5 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.849 -1.149 25493 2225 1 5 . 1 1 70 70 LEU H H 70 8.120 8.120 7.783 0.337 25493 2226 1 5 . 1 1 71 71 ALA N N 71 121.000 121.000 119.956 1.044 25493 2227 1 5 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.929 -0.189 25493 2228 1 5 . 1 1 71 71 ALA C C 71 180.100 180.100 178.655 1.445 25493 2229 1 5 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.303 1.197 25493 2230 1 5 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.619 -0.919 25493 2231 1 5 . 1 1 71 71 ALA H H 71 8.330 8.330 8.781 -0.451 25493 2232 1 5 . 1 1 72 72 LYS N N 72 118.200 118.200 115.614 2.586 25493 2233 1 5 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.414 -0.454 25493 2234 1 5 . 1 1 72 72 LYS C C 72 179.800 179.800 178.611 1.189 25493 2235 1 5 . 1 1 72 72 LYS CA C 72 59.800 59.800 57.710 2.090 25493 2236 1 5 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.520 -0.020 25493 2237 1 5 . 1 1 72 72 LYS H H 72 8.150 8.150 7.616 0.534 25493 2238 1 5 . 1 1 73 73 ARG N N 73 120.600 120.600 122.042 -1.442 25493 2239 1 5 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.124 -0.134 25493 2240 1 5 . 1 1 73 73 ARG C C 73 180.100 180.100 177.804 2.296 25493 2241 1 5 . 1 1 73 73 ARG CA C 73 59.300 59.300 58.965 0.335 25493 2242 1 5 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.262 1.738 25493 2243 1 5 . 1 1 73 73 ARG H H 73 8.140 8.140 8.632 -0.492 25493 2244 1 5 . 1 1 74 74 ALA N N 74 121.700 121.700 122.170 -0.470 25493 2245 1 5 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.077 -0.297 25493 2246 1 5 . 1 1 74 74 ALA C C 74 178.100 178.100 179.735 -1.635 25493 2247 1 5 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.340 -0.440 25493 2248 1 5 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.238 -1.038 25493 2249 1 5 . 1 1 74 74 ALA H H 74 8.970 8.970 8.042 0.928 25493 2250 1 5 . 1 1 75 75 LYS N N 75 117.900 117.900 116.995 0.905 25493 2251 1 5 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.160 -0.420 25493 2252 1 5 . 1 1 75 75 LYS C C 75 178.300 178.300 178.844 -0.544 25493 2253 1 5 . 1 1 75 75 LYS CA C 75 60.300 60.300 58.087 2.213 25493 2254 1 5 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.315 0.185 25493 2255 1 5 . 1 1 75 75 LYS H H 75 8.200 8.200 8.113 0.087 25493 2256 1 5 . 1 1 76 76 LYS N N 76 118.800 118.800 121.187 -2.387 25493 2257 1 5 . 1 1 76 76 LYS HA H 76 3.890 3.890 3.992 -0.102 25493 2258 1 5 . 1 1 76 76 LYS C C 76 179.200 179.200 178.866 0.334 25493 2259 1 5 . 1 1 76 76 LYS CA C 76 59.800 59.800 58.814 0.986 25493 2260 1 5 . 1 1 76 76 LYS CB C 76 32.400 32.400 31.984 0.416 25493 2261 1 5 . 1 1 76 76 LYS H H 76 7.630 7.630 7.402 0.228 25493 2262 1 5 . 1 1 77 77 LEU N N 77 121.400 121.400 118.727 2.673 25493 2263 1 5 . 1 1 77 77 LEU HA H 77 3.630 3.630 3.728 -0.098 25493 2264 1 5 . 1 1 77 77 LEU C C 77 178.200 178.200 178.922 -0.722 25493 2265 1 5 . 1 1 77 77 LEU CA C 77 57.600 57.600 57.404 0.196 25493 2266 1 5 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.038 -0.238 25493 2267 1 5 . 1 1 77 77 LEU H H 77 7.430 7.430 7.865 -0.435 25493 2268 1 5 . 1 1 78 78 LEU N N 78 117.600 117.600 120.021 -2.421 25493 2269 1 5 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.796 -0.036 25493 2270 1 5 . 1 1 78 78 LEU C C 78 180.300 180.300 178.782 1.518 25493 2271 1 5 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.578 0.522 25493 2272 1 5 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.950 0.250 25493 2273 1 5 . 1 1 78 78 LEU H H 78 7.960 7.960 8.099 -0.139 25493 2274 1 5 . 1 1 79 79 ARG N N 79 119.800 119.800 118.013 1.787 25493 2275 1 5 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.900 0.210 25493 2276 1 5 . 1 1 79 79 ARG C C 79 179.500 179.500 178.497 1.003 25493 2277 1 5 . 1 1 79 79 ARG CA C 79 59.200 59.200 59.038 0.162 25493 2278 1 5 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.625 0.075 25493 2279 1 5 . 1 1 79 79 ARG H H 79 8.110 8.110 8.083 0.027 25493 2280 1 5 . 1 1 80 80 SER N N 80 117.800 117.800 114.312 3.488 25493 2281 1 5 . 1 1 80 80 SER HA H 80 4.310 4.310 4.153 0.157 25493 2282 1 5 . 1 1 80 80 SER C C 80 177.000 177.000 174.870 2.130 25493 2283 1 5 . 1 1 80 80 SER CA C 80 61.500 61.500 60.513 0.987 25493 2284 1 5 . 1 1 80 80 SER CB C 80 62.500 62.500 63.004 -0.504 25493 2285 1 5 . 1 1 80 80 SER H H 80 7.870 7.870 7.493 0.377 25493 2286 1 5 . 1 1 81 81 TRP N N 81 123.300 123.300 117.699 5.601 25493 2287 1 5 . 1 1 81 81 TRP HA H 81 4.810 4.810 4.983 -0.173 25493 2288 1 5 . 1 1 81 81 TRP C C 81 178.200 178.200 177.271 0.929 25493 2289 1 5 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.782 0.718 25493 2290 1 5 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.542 0.658 25493 2291 1 5 . 1 1 81 81 TRP H H 81 8.010 8.010 6.975 1.035 25493 2292 1 5 . 1 1 82 82 GLN N N 82 120.400 120.400 123.560 -3.160 25493 2293 1 5 . 1 1 82 82 GLN HA H 82 4.080 4.080 3.955 0.125 25493 2294 1 5 . 1 1 82 82 GLN C C 82 177.600 177.600 176.998 0.602 25493 2295 1 5 . 1 1 82 82 GLN CA C 82 59.200 59.200 60.068 -0.868 25493 2296 1 5 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.514 -0.314 25493 2297 1 5 . 1 1 82 82 GLN H H 82 8.080 8.080 8.490 -0.410 25493 2298 1 5 . 1 1 83 83 LYS N N 83 115.600 115.600 117.710 -2.110 25493 2299 1 5 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.194 0.026 25493 2300 1 5 . 1 1 83 83 LYS C C 83 177.400 177.400 177.120 0.280 25493 2301 1 5 . 1 1 83 83 LYS CA C 83 57.600 57.600 58.309 -0.709 25493 2302 1 5 . 1 1 83 83 LYS CB C 83 32.500 32.500 31.567 0.933 25493 2303 1 5 . 1 1 83 83 LYS H H 83 7.770 7.770 8.408 -0.638 25493 2304 1 5 . 1 1 84 84 LEU N N 84 117.900 117.900 117.336 0.564 25493 2305 1 5 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.596 -0.316 25493 2306 1 5 . 1 1 84 84 LEU C C 84 177.500 177.500 177.909 -0.409 25493 2307 1 5 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.567 0.433 25493 2308 1 5 . 1 1 84 84 LEU CB C 84 42.900 42.900 43.631 -0.731 25493 2309 1 5 . 1 1 84 84 LEU H H 84 7.670 7.670 7.824 -0.154 25493 2310 1 5 . 1 1 85 85 ILE N N 85 115.400 115.400 115.568 -0.168 25493 2311 1 5 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.488 -0.358 25493 2312 1 5 . 1 1 85 85 ILE C C 85 175.100 175.100 176.568 -1.468 25493 2313 1 5 . 1 1 85 85 ILE CA C 85 61.400 61.400 62.003 -0.603 25493 2314 1 5 . 1 1 85 85 ILE CB C 85 39.600 39.600 39.140 0.460 25493 2315 1 5 . 1 1 85 85 ILE H H 85 7.490 7.490 7.532 -0.042 25493 2316 1 6 . 1 1 7 7 ALA N N 7 123.700 123.700 122.496 1.204 25493 2317 1 6 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.409 0.011 25493 2318 1 6 . 1 1 7 7 ALA C C 7 176.700 176.700 175.333 1.367 25493 2319 1 6 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.613 -0.013 25493 2320 1 6 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.721 -0.821 25493 2321 1 6 . 1 1 7 7 ALA H H 7 8.040 8.040 7.892 0.148 25493 2322 1 6 . 1 1 8 8 SER N N 8 117.100 117.100 116.768 0.332 25493 2323 1 6 . 1 1 8 8 SER HA H 8 4.750 4.750 4.335 0.415 25493 2324 1 6 . 1 1 8 8 SER CA C 8 56.000 56.000 56.140 -0.140 25493 2325 1 6 . 1 1 8 8 SER CB C 8 63.300 63.300 63.452 -0.152 25493 2326 1 6 . 1 1 8 8 SER H H 8 8.430 8.430 8.354 0.076 25493 2327 1 6 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.897 0.043 25493 2328 1 6 . 1 1 9 9 PRO C C 9 177.400 177.400 178.253 -0.853 25493 2329 1 6 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.482 0.318 25493 2330 1 6 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.627 0.373 25493 2331 1 6 . 1 1 10 10 GLN N N 10 116.000 116.000 116.431 -0.431 25493 2332 1 6 . 1 1 10 10 GLN HA H 10 3.660 3.660 3.996 -0.336 25493 2333 1 6 . 1 1 10 10 GLN C C 10 177.500 177.500 178.206 -0.706 25493 2334 1 6 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.619 0.681 25493 2335 1 6 . 1 1 10 10 GLN CB C 10 27.500 27.500 28.015 -0.515 25493 2336 1 6 . 1 1 10 10 GLN H H 10 8.350 8.350 8.402 -0.052 25493 2337 1 6 . 1 1 11 11 GLN N N 11 119.200 119.200 118.475 0.725 25493 2338 1 6 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.101 -0.021 25493 2339 1 6 . 1 1 11 11 GLN C C 11 179.600 179.600 178.288 1.312 25493 2340 1 6 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.424 0.476 25493 2341 1 6 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.413 0.187 25493 2342 1 6 . 1 1 11 11 GLN H H 11 7.680 7.680 7.639 0.041 25493 2343 1 6 . 1 1 12 12 ILE N N 12 121.300 121.300 114.298 7.002 25493 2344 1 6 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.870 -0.340 25493 2345 1 6 . 1 1 12 12 ILE C C 12 177.200 177.200 177.182 0.018 25493 2346 1 6 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.893 1.407 25493 2347 1 6 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.264 0.137 25493 2348 1 6 . 1 1 12 12 ILE H H 12 8.190 8.190 8.188 0.002 25493 2349 1 6 . 1 1 13 13 ARG N N 13 120.200 120.200 122.073 -1.873 25493 2350 1 6 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.937 -0.197 25493 2351 1 6 . 1 1 13 13 ARG C C 13 177.700 177.700 178.043 -0.343 25493 2352 1 6 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.653 0.647 25493 2353 1 6 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.840 -1.640 25493 2354 1 6 . 1 1 13 13 ARG H H 13 8.320 8.320 7.895 0.425 25493 2355 1 6 . 1 1 14 14 ASP N N 14 119.200 119.200 118.551 0.649 25493 2356 1 6 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.520 -0.190 25493 2357 1 6 . 1 1 14 14 ASP C C 14 178.800 178.800 177.118 1.682 25493 2358 1 6 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.885 2.115 25493 2359 1 6 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.136 -0.536 25493 2360 1 6 . 1 1 14 14 ASP H H 14 8.280 8.280 8.245 0.035 25493 2361 1 6 . 1 1 15 15 ARG N N 15 120.400 120.400 118.096 2.304 25493 2362 1 6 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.444 -0.474 25493 2363 1 6 . 1 1 15 15 ARG C C 15 179.300 179.300 177.423 1.877 25493 2364 1 6 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.778 2.422 25493 2365 1 6 . 1 1 15 15 ARG CB C 15 30.000 30.000 30.573 -0.573 25493 2366 1 6 . 1 1 15 15 ARG H H 15 7.980 7.980 7.651 0.329 25493 2367 1 6 . 1 1 16 16 LEU N N 16 120.500 120.500 121.212 -0.712 25493 2368 1 6 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.324 -0.354 25493 2369 1 6 . 1 1 16 16 LEU C C 16 178.500 178.500 177.868 0.632 25493 2370 1 6 . 1 1 16 16 LEU CA C 16 58.100 58.100 58.280 -0.180 25493 2371 1 6 . 1 1 16 16 LEU CB C 16 41.200 41.200 42.196 -0.996 25493 2372 1 6 . 1 1 16 16 LEU H H 16 8.210 8.210 8.367 -0.157 25493 2373 1 6 . 1 1 17 17 LEU N N 17 116.100 116.100 118.966 -2.866 25493 2374 1 6 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.075 -0.075 25493 2375 1 6 . 1 1 17 17 LEU C C 17 179.400 179.400 179.213 0.187 25493 2376 1 6 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.868 -0.268 25493 2377 1 6 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.393 0.307 25493 2378 1 6 . 1 1 17 17 LEU H H 17 8.310 8.310 8.134 0.176 25493 2379 1 6 . 1 1 18 18 GLN N N 18 114.300 114.300 116.757 -2.457 25493 2380 1 6 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.161 0.079 25493 2381 1 6 . 1 1 18 18 GLN C C 18 176.700 176.700 177.942 -1.242 25493 2382 1 6 . 1 1 18 18 GLN CA C 18 57.000 57.000 57.377 -0.377 25493 2383 1 6 . 1 1 18 18 GLN CB C 18 28.800 28.800 27.487 1.313 25493 2384 1 6 . 1 1 18 18 GLN H H 18 7.460 7.460 8.331 -0.871 25493 2385 1 6 . 1 1 19 19 ALA N N 19 120.800 120.800 121.810 -1.010 25493 2386 1 6 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.285 0.205 25493 2387 1 6 . 1 1 19 19 ALA C C 19 176.000 176.000 176.711 -0.711 25493 2388 1 6 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.456 -0.856 25493 2389 1 6 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.158 2.942 25493 2390 1 6 . 1 1 19 19 ALA H H 19 7.770 7.770 7.864 -0.094 25493 2391 1 6 . 1 1 20 20 ILE N N 20 113.500 113.500 112.214 1.286 25493 2392 1 6 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.633 0.567 25493 2393 1 6 . 1 1 20 20 ILE C C 20 173.600 173.600 174.156 -0.556 25493 2394 1 6 . 1 1 20 20 ILE CA C 20 59.200 59.200 58.606 0.594 25493 2395 1 6 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.693 2.107 25493 2396 1 6 . 1 1 20 20 ILE H H 20 7.360 7.360 7.209 0.151 25493 2397 1 6 . 1 1 21 21 ASP N N 21 122.500 122.500 120.014 2.486 25493 2398 1 6 . 1 1 21 21 ASP HA H 21 4.980 4.980 4.952 0.028 25493 2399 1 6 . 1 1 21 21 ASP CA C 21 52.100 52.100 52.440 -0.340 25493 2400 1 6 . 1 1 21 21 ASP CB C 21 41.200 41.200 40.702 0.498 25493 2401 1 6 . 1 1 21 21 ASP H H 21 8.530 8.530 8.489 0.041 25493 2402 1 6 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.295 0.155 25493 2403 1 6 . 1 1 22 22 PRO C C 22 177.500 177.500 176.934 0.566 25493 2404 1 6 . 1 1 22 22 PRO CA C 22 65.200 65.200 64.247 0.953 25493 2405 1 6 . 1 1 22 22 PRO CB C 22 31.900 31.900 32.430 -0.530 25493 2406 1 6 . 1 1 23 23 GLN N N 23 115.900 115.900 118.455 -2.555 25493 2407 1 6 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.234 0.186 25493 2408 1 6 . 1 1 23 23 GLN C C 23 174.800 174.800 176.131 -1.331 25493 2409 1 6 . 1 1 23 23 GLN CA C 23 55.400 55.400 58.064 -2.664 25493 2410 1 6 . 1 1 23 23 GLN CB C 23 28.700 28.700 29.612 -0.912 25493 2411 1 6 . 1 1 23 23 GLN H H 23 7.950 7.950 8.145 -0.195 25493 2412 1 6 . 1 1 24 24 SER N N 24 107.900 107.900 106.161 1.739 25493 2413 1 6 . 1 1 24 24 SER HA H 24 3.730 3.730 4.601 -0.871 25493 2414 1 6 . 1 1 24 24 SER C C 24 173.200 173.200 174.048 -0.848 25493 2415 1 6 . 1 1 24 24 SER CA C 24 60.300 60.300 57.539 2.760 25493 2416 1 6 . 1 1 24 24 SER CB C 24 60.300 60.300 64.285 -3.986 25493 2417 1 6 . 1 1 24 24 SER H H 24 8.270 8.270 8.002 0.268 25493 2418 1 6 . 1 1 25 25 ASN N N 25 117.000 117.000 121.838 -4.838 25493 2419 1 6 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.788 -0.258 25493 2420 1 6 . 1 1 25 25 ASN C C 25 175.600 175.600 175.046 0.554 25493 2421 1 6 . 1 1 25 25 ASN CA C 25 52.800 52.800 54.026 -1.226 25493 2422 1 6 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.479 -0.979 25493 2423 1 6 . 1 1 25 25 ASN H H 25 8.500 8.500 7.759 0.741 25493 2424 1 6 . 1 1 26 26 ILE N N 26 122.400 122.400 116.772 5.628 25493 2425 1 6 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.250 -0.430 25493 2426 1 6 . 1 1 26 26 ILE C C 26 176.400 176.400 176.397 0.003 25493 2427 1 6 . 1 1 26 26 ILE CA C 26 63.600 63.600 60.572 3.027 25493 2428 1 6 . 1 1 26 26 ILE CB C 26 38.600 38.600 40.176 -1.576 25493 2429 1 6 . 1 1 26 26 ILE H H 26 8.890 8.890 8.388 0.502 25493 2430 1 6 . 1 1 27 27 ARG N N 27 127.600 127.600 117.590 10.010 25493 2431 1 6 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.845 0.685 25493 2432 1 6 . 1 1 27 27 ARG C C 27 176.000 176.000 176.293 -0.293 25493 2433 1 6 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.980 -2.480 25493 2434 1 6 . 1 1 27 27 ARG CB C 27 31.400 31.400 29.241 2.159 25493 2435 1 6 . 1 1 27 27 ARG H H 27 9.070 9.070 8.545 0.525 25493 2436 1 6 . 1 1 28 28 ASN N N 28 117.300 117.300 118.508 -1.208 25493 2437 1 6 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.945 -0.015 25493 2438 1 6 . 1 1 28 28 ASN C C 28 174.300 174.300 175.050 -0.750 25493 2439 1 6 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.908 -0.308 25493 2440 1 6 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.640 0.360 25493 2441 1 6 . 1 1 28 28 ASN H H 28 7.510 7.510 8.363 -0.853 25493 2442 1 6 . 1 1 29 29 MET N N 29 125.700 125.700 124.986 0.714 25493 2443 1 6 . 1 1 29 29 MET HA H 29 4.190 4.190 4.207 -0.017 25493 2444 1 6 . 1 1 29 29 MET C C 29 177.300 177.300 177.089 0.211 25493 2445 1 6 . 1 1 29 29 MET CA C 29 57.600 57.600 58.768 -1.168 25493 2446 1 6 . 1 1 29 29 MET CB C 29 31.400 31.400 32.906 -1.506 25493 2447 1 6 . 1 1 29 29 MET H H 29 8.940 8.940 8.705 0.235 25493 2448 1 6 . 1 1 30 30 VAL N N 30 118.600 118.600 118.126 0.474 25493 2449 1 6 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.671 -0.151 25493 2450 1 6 . 1 1 30 30 VAL C C 30 178.800 178.800 176.981 1.819 25493 2451 1 6 . 1 1 30 30 VAL CA C 30 66.900 66.900 65.146 1.754 25493 2452 1 6 . 1 1 30 30 VAL CB C 30 31.500 31.500 31.689 -0.189 25493 2453 1 6 . 1 1 30 30 VAL H H 30 7.910 7.910 7.860 0.050 25493 2454 1 6 . 1 1 31 31 ALA N N 31 120.600 120.600 121.481 -0.881 25493 2455 1 6 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.161 -0.031 25493 2456 1 6 . 1 1 31 31 ALA C C 31 180.300 180.300 179.208 1.092 25493 2457 1 6 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.725 -0.425 25493 2458 1 6 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.711 0.189 25493 2459 1 6 . 1 1 31 31 ALA H H 31 7.270 7.270 7.709 -0.439 25493 2460 1 6 . 1 1 32 32 VAL N N 32 117.900 117.900 117.994 -0.094 25493 2461 1 6 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.869 -0.489 25493 2462 1 6 . 1 1 32 32 VAL C C 32 177.700 177.700 176.920 0.780 25493 2463 1 6 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.302 3.398 25493 2464 1 6 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.164 -1.264 25493 2465 1 6 . 1 1 32 32 VAL H H 32 7.640 7.640 7.432 0.208 25493 2466 1 6 . 1 1 33 33 LEU N N 33 119.900 119.900 120.560 -0.660 25493 2467 1 6 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.233 -0.323 25493 2468 1 6 . 1 1 33 33 LEU C C 33 179.900 179.900 178.434 1.466 25493 2469 1 6 . 1 1 33 33 LEU CA C 33 58.300 58.300 57.089 1.211 25493 2470 1 6 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.665 -0.965 25493 2471 1 6 . 1 1 33 33 LEU H H 33 8.450 8.450 8.074 0.376 25493 2472 1 6 . 1 1 34 34 GLU N N 34 121.200 121.200 121.016 0.184 25493 2473 1 6 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.065 -0.005 25493 2474 1 6 . 1 1 34 34 GLU C C 34 179.800 179.800 179.035 0.765 25493 2475 1 6 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.747 0.053 25493 2476 1 6 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.754 -0.454 25493 2477 1 6 . 1 1 34 34 GLU H H 34 8.080 8.080 7.886 0.194 25493 2478 1 6 . 1 1 35 35 VAL N N 35 122.400 122.400 120.054 2.346 25493 2479 1 6 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.845 -0.245 25493 2480 1 6 . 1 1 35 35 VAL C C 35 177.900 177.900 176.860 1.040 25493 2481 1 6 . 1 1 35 35 VAL CA C 35 67.100 67.100 66.140 0.960 25493 2482 1 6 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.617 -0.717 25493 2483 1 6 . 1 1 35 35 VAL H H 35 8.060 8.060 7.487 0.573 25493 2484 1 6 . 1 1 36 36 ILE N N 36 119.800 119.800 120.656 -0.856 25493 2485 1 6 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.900 -0.340 25493 2486 1 6 . 1 1 36 36 ILE C C 36 177.500 177.500 178.264 -0.764 25493 2487 1 6 . 1 1 36 36 ILE CA C 36 64.200 64.200 63.850 0.350 25493 2488 1 6 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.487 -0.188 25493 2489 1 6 . 1 1 36 36 ILE H H 36 8.420 8.420 7.482 0.938 25493 2490 1 6 . 1 1 37 37 SER N N 37 114.700 114.700 113.882 0.818 25493 2491 1 6 . 1 1 37 37 SER HA H 37 4.290 4.290 4.282 0.008 25493 2492 1 6 . 1 1 37 37 SER C C 37 177.300 177.300 175.039 2.261 25493 2493 1 6 . 1 1 37 37 SER CA C 37 61.900 61.900 60.430 1.470 25493 2494 1 6 . 1 1 37 37 SER CB C 37 63.100 63.100 62.283 0.817 25493 2495 1 6 . 1 1 37 37 SER H H 37 8.430 8.430 8.246 0.184 25493 2496 1 6 . 1 1 38 38 SER N N 38 117.200 117.200 116.447 0.753 25493 2497 1 6 . 1 1 38 38 SER HA H 38 4.290 4.290 4.597 -0.307 25493 2498 1 6 . 1 1 38 38 SER C C 38 176.700 176.700 175.718 0.982 25493 2499 1 6 . 1 1 38 38 SER CA C 38 62.500 62.500 60.568 1.932 25493 2500 1 6 . 1 1 38 38 SER CB C 38 63.100 63.100 64.348 -1.248 25493 2501 1 6 . 1 1 38 38 SER H H 38 8.200 8.200 7.749 0.451 25493 2502 1 6 . 1 1 39 39 LEU N N 39 121.600 121.600 122.786 -1.186 25493 2503 1 6 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.187 0.183 25493 2504 1 6 . 1 1 39 39 LEU C C 39 178.700 178.700 178.066 0.634 25493 2505 1 6 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.764 -0.664 25493 2506 1 6 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.981 0.819 25493 2507 1 6 . 1 1 39 39 LEU H H 39 8.150 8.150 8.560 -0.410 25493 2508 1 6 . 1 1 40 40 GLU N N 40 118.600 118.600 114.140 4.460 25493 2509 1 6 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.253 -0.353 25493 2510 1 6 . 1 1 40 40 GLU C C 40 178.100 178.100 177.474 0.626 25493 2511 1 6 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.006 0.694 25493 2512 1 6 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.631 0.669 25493 2513 1 6 . 1 1 40 40 GLU H H 40 8.190 8.190 8.159 0.031 25493 2514 1 6 . 1 1 41 41 LYS N N 41 116.300 116.300 115.528 0.772 25493 2515 1 6 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.388 -0.158 25493 2516 1 6 . 1 1 41 41 LYS C C 41 175.800 175.800 176.668 -0.868 25493 2517 1 6 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.914 0.686 25493 2518 1 6 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.517 0.083 25493 2519 1 6 . 1 1 41 41 LYS H H 41 7.440 7.440 7.659 -0.219 25493 2520 1 6 . 1 1 42 42 TYR N N 42 121.400 121.400 125.712 -4.312 25493 2521 1 6 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.706 0.154 25493 2522 1 6 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.904 -0.503 25493 2523 1 6 . 1 1 42 42 TYR CB C 42 39.600 39.600 39.208 0.392 25493 2524 1 6 . 1 1 42 42 TYR H H 42 7.730 7.730 8.144 -0.414 25493 2525 1 6 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.590 0.170 25493 2526 1 6 . 1 1 43 43 PRO C C 43 175.800 175.800 175.638 0.162 25493 2527 1 6 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.483 0.017 25493 2528 1 6 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.901 -0.601 25493 2529 1 6 . 1 1 44 44 ILE N N 44 124.000 124.000 124.459 -0.459 25493 2530 1 6 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.175 0.295 25493 2531 1 6 . 1 1 44 44 ILE C C 44 174.300 174.300 176.087 -1.787 25493 2532 1 6 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.309 -1.009 25493 2533 1 6 . 1 1 44 44 ILE CB C 44 40.700 40.700 38.152 2.548 25493 2534 1 6 . 1 1 44 44 ILE H H 44 8.200 8.200 7.940 0.260 25493 2535 1 6 . 1 1 45 45 THR N N 45 112.200 112.200 114.798 -2.598 25493 2536 1 6 . 1 1 45 45 THR HA H 45 4.530 4.530 4.791 -0.261 25493 2537 1 6 . 1 1 45 45 THR C C 45 175.100 175.100 174.947 0.153 25493 2538 1 6 . 1 1 45 45 THR CA C 45 59.800 59.800 60.007 -0.207 25493 2539 1 6 . 1 1 45 45 THR CB C 45 72.300 72.300 71.481 0.819 25493 2540 1 6 . 1 1 45 45 THR H H 45 7.330 7.330 7.706 -0.376 25493 2541 1 6 . 1 1 46 46 LYS N N 46 121.500 121.500 123.825 -2.325 25493 2542 1 6 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.901 -0.161 25493 2543 1 6 . 1 1 46 46 LYS C C 46 178.200 178.200 178.511 -0.311 25493 2544 1 6 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.084 0.916 25493 2545 1 6 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.971 0.529 25493 2546 1 6 . 1 1 46 46 LYS H H 46 9.090 9.090 8.864 0.226 25493 2547 1 6 . 1 1 47 47 GLU N N 47 118.400 118.400 119.089 -0.689 25493 2548 1 6 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.032 -0.012 25493 2549 1 6 . 1 1 47 47 GLU C C 47 179.000 179.000 178.071 0.929 25493 2550 1 6 . 1 1 47 47 GLU CA C 47 60.800 60.800 59.510 1.290 25493 2551 1 6 . 1 1 47 47 GLU CB C 47 28.700 28.700 28.915 -0.215 25493 2552 1 6 . 1 1 47 47 GLU H H 47 9.010 9.010 8.693 0.317 25493 2553 1 6 . 1 1 48 48 ALA N N 48 122.300 122.300 119.777 2.523 25493 2554 1 6 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.230 0.040 25493 2555 1 6 . 1 1 48 48 ALA C C 48 181.900 181.900 178.830 3.070 25493 2556 1 6 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.781 1.119 25493 2557 1 6 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.572 -0.772 25493 2558 1 6 . 1 1 48 48 ALA H H 48 7.860 7.860 7.605 0.255 25493 2559 1 6 . 1 1 49 49 LEU N N 49 122.200 122.200 121.889 0.311 25493 2560 1 6 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.070 -0.490 25493 2561 1 6 . 1 1 49 49 LEU C C 49 179.800 179.800 178.456 1.344 25493 2562 1 6 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.744 0.956 25493 2563 1 6 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.604 -0.304 25493 2564 1 6 . 1 1 49 49 LEU H H 49 8.260 8.260 8.396 -0.136 25493 2565 1 6 . 1 1 50 50 GLU N N 50 120.400 120.400 117.436 2.964 25493 2566 1 6 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.034 0.006 25493 2567 1 6 . 1 1 50 50 GLU C C 50 178.900 178.900 178.321 0.579 25493 2568 1 6 . 1 1 50 50 GLU CA C 50 59.200 59.200 58.789 0.411 25493 2569 1 6 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.049 0.151 25493 2570 1 6 . 1 1 50 50 GLU H H 50 8.120 8.120 8.400 -0.280 25493 2571 1 6 . 1 1 51 51 GLU N N 51 118.500 118.500 120.007 -1.507 25493 2572 1 6 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.187 -0.137 25493 2573 1 6 . 1 1 51 51 GLU C C 51 178.800 178.800 178.193 0.607 25493 2574 1 6 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.573 0.627 25493 2575 1 6 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.819 0.481 25493 2576 1 6 . 1 1 51 51 GLU H H 51 8.200 8.200 8.103 0.097 25493 2577 1 6 . 1 1 52 52 THR N N 52 104.700 104.700 110.629 -5.929 25493 2578 1 6 . 1 1 52 52 THR HA H 52 4.090 4.090 4.307 -0.217 25493 2579 1 6 . 1 1 52 52 THR C C 52 175.400 175.400 175.325 0.075 25493 2580 1 6 . 1 1 52 52 THR CA C 52 63.100 63.100 63.381 -0.281 25493 2581 1 6 . 1 1 52 52 THR CB C 52 71.800 71.800 69.869 1.931 25493 2582 1 6 . 1 1 52 52 THR H H 52 7.840 7.840 7.996 -0.156 25493 2583 1 6 . 1 1 53 53 ARG N N 53 114.400 114.400 117.858 -3.458 25493 2584 1 6 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.952 0.158 25493 2585 1 6 . 1 1 53 53 ARG C C 53 177.200 177.200 175.697 1.503 25493 2586 1 6 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.853 0.447 25493 2587 1 6 . 1 1 53 53 ARG CB C 53 27.500 27.500 26.842 0.658 25493 2588 1 6 . 1 1 53 53 ARG H H 53 7.680 7.680 8.084 -0.404 25493 2589 1 6 . 1 1 54 54 LEU N N 54 117.200 117.200 120.188 -2.988 25493 2590 1 6 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.069 -0.259 25493 2591 1 6 . 1 1 54 54 LEU C C 54 178.200 178.200 177.963 0.237 25493 2592 1 6 . 1 1 54 54 LEU CA C 54 58.700 58.700 57.737 0.963 25493 2593 1 6 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.544 1.856 25493 2594 1 6 . 1 1 54 54 LEU H H 54 7.460 7.460 7.380 0.080 25493 2595 1 6 . 1 1 55 55 GLY N N 55 105.900 105.900 105.745 0.155 25493 2596 1 6 . 1 1 55 55 GLY C C 55 175.500 175.500 175.522 -0.022 25493 2597 1 6 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.587 -0.386 25493 2598 1 6 . 1 1 55 55 GLY H H 55 8.650 8.650 8.474 0.176 25493 2599 1 6 . 1 1 56 56 LYS N N 56 123.300 123.300 120.694 2.606 25493 2600 1 6 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.025 0.085 25493 2601 1 6 . 1 1 56 56 LYS C C 56 178.300 178.300 178.046 0.254 25493 2602 1 6 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.175 1.025 25493 2603 1 6 . 1 1 56 56 LYS CB C 56 32.500 32.500 31.506 0.994 25493 2604 1 6 . 1 1 56 56 LYS H H 56 7.210 7.210 8.103 -0.893 25493 2605 1 6 . 1 1 57 57 LEU N N 57 117.700 117.700 119.356 -1.656 25493 2606 1 6 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.237 -0.057 25493 2607 1 6 . 1 1 57 57 LEU C C 57 179.600 179.600 178.225 1.375 25493 2608 1 6 . 1 1 57 57 LEU CA C 57 57.700 57.700 56.922 0.778 25493 2609 1 6 . 1 1 57 57 LEU CB C 57 43.400 43.400 42.416 0.984 25493 2610 1 6 . 1 1 57 57 LEU H H 57 7.900 7.900 7.579 0.321 25493 2611 1 6 . 1 1 58 58 ILE N N 58 116.600 116.600 120.155 -3.555 25493 2612 1 6 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.734 -0.054 25493 2613 1 6 . 1 1 58 58 ILE C C 58 177.900 177.900 177.831 0.069 25493 2614 1 6 . 1 1 58 58 ILE CA C 58 63.100 63.100 64.299 -1.199 25493 2615 1 6 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.787 -0.987 25493 2616 1 6 . 1 1 58 58 ILE H H 58 8.640 8.640 7.859 0.781 25493 2617 1 6 . 1 1 59 59 ASN N N 59 119.600 119.600 117.103 2.497 25493 2618 1 6 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.683 -0.313 25493 2619 1 6 . 1 1 59 59 ASN C C 59 176.700 176.700 175.412 1.288 25493 2620 1 6 . 1 1 59 59 ASN CA C 59 57.000 57.000 54.718 2.282 25493 2621 1 6 . 1 1 59 59 ASN CB C 59 38.500 38.500 37.547 0.952 25493 2622 1 6 . 1 1 59 59 ASN H H 59 8.120 8.120 8.642 -0.522 25493 2623 1 6 . 1 1 60 60 ASP N N 60 119.600 119.600 120.421 -0.821 25493 2624 1 6 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.758 -0.378 25493 2625 1 6 . 1 1 60 60 ASP C C 60 179.400 179.400 177.723 1.677 25493 2626 1 6 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.432 1.168 25493 2627 1 6 . 1 1 60 60 ASP CB C 60 39.600 39.600 43.285 -3.685 25493 2628 1 6 . 1 1 60 60 ASP H H 60 8.490 8.490 7.591 0.899 25493 2629 1 6 . 1 1 61 61 VAL N N 61 118.700 118.700 123.066 -4.366 25493 2630 1 6 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.986 -0.236 25493 2631 1 6 . 1 1 61 61 VAL C C 61 179.000 179.000 177.239 1.761 25493 2632 1 6 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.424 0.377 25493 2633 1 6 . 1 1 61 61 VAL CB C 61 32.500 32.500 31.768 0.732 25493 2634 1 6 . 1 1 61 61 VAL H H 61 7.930 7.930 8.380 -0.450 25493 2635 1 6 . 1 1 62 62 ARG N N 62 120.900 120.900 117.073 3.827 25493 2636 1 6 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.218 -0.568 25493 2637 1 6 . 1 1 62 62 ARG C C 62 177.100 177.100 177.054 0.046 25493 2638 1 6 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.535 0.665 25493 2639 1 6 . 1 1 62 62 ARG CB C 62 29.800 29.800 30.051 -0.251 25493 2640 1 6 . 1 1 62 62 ARG H H 62 8.620 8.620 8.026 0.594 25493 2641 1 6 . 1 1 63 63 LYS N N 63 115.700 115.700 117.122 -1.422 25493 2642 1 6 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.278 -0.348 25493 2643 1 6 . 1 1 63 63 LYS C C 63 177.600 177.600 177.790 -0.190 25493 2644 1 6 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.722 1.478 25493 2645 1 6 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.354 0.646 25493 2646 1 6 . 1 1 63 63 LYS H H 63 7.940 7.940 7.542 0.398 25493 2647 1 6 . 1 1 64 64 LYS N N 64 115.300 115.300 118.945 -3.645 25493 2648 1 6 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.340 0.090 25493 2649 1 6 . 1 1 64 64 LYS C C 64 176.900 176.900 176.735 0.165 25493 2650 1 6 . 1 1 64 64 LYS CA C 64 55.400 55.400 57.354 -1.954 25493 2651 1 6 . 1 1 64 64 LYS CB C 64 34.100 34.100 34.212 -0.112 25493 2652 1 6 . 1 1 64 64 LYS H H 64 7.130 7.130 7.811 -0.681 25493 2653 1 6 . 1 1 65 65 THR N N 65 113.500 113.500 114.010 -0.510 25493 2654 1 6 . 1 1 65 65 THR HA H 65 4.520 4.520 4.569 -0.049 25493 2655 1 6 . 1 1 65 65 THR C C 65 173.200 173.200 172.626 0.574 25493 2656 1 6 . 1 1 65 65 THR CA C 65 62.000 62.000 60.798 1.202 25493 2657 1 6 . 1 1 65 65 THR CB C 65 69.600 69.600 70.286 -0.686 25493 2658 1 6 . 1 1 65 65 THR H H 65 7.250 7.250 8.123 -0.873 25493 2659 1 6 . 1 1 66 66 LYS N N 66 125.700 125.700 123.823 1.877 25493 2660 1 6 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.575 -0.065 25493 2661 1 6 . 1 1 66 66 LYS C C 66 175.900 175.900 175.383 0.517 25493 2662 1 6 . 1 1 66 66 LYS CA C 66 55.400 55.400 54.557 0.843 25493 2663 1 6 . 1 1 66 66 LYS CB C 66 32.000 32.000 30.870 1.130 25493 2664 1 6 . 1 1 66 66 LYS H H 66 8.500 8.500 8.445 0.055 25493 2665 1 6 . 1 1 67 67 ASN N N 67 122.100 122.100 122.681 -0.581 25493 2666 1 6 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.512 0.178 25493 2667 1 6 . 1 1 67 67 ASN C C 67 174.400 174.400 176.693 -2.293 25493 2668 1 6 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.728 -0.528 25493 2669 1 6 . 1 1 67 67 ASN CB C 67 39.000 39.000 38.768 0.232 25493 2670 1 6 . 1 1 67 67 ASN H H 67 8.570 8.570 8.291 0.279 25493 2671 1 6 . 1 1 68 68 GLU N N 68 128.400 128.400 123.163 5.237 25493 2672 1 6 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.946 0.044 25493 2673 1 6 . 1 1 68 68 GLU C C 68 178.500 178.500 177.114 1.386 25493 2674 1 6 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.091 0.209 25493 2675 1 6 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.198 0.602 25493 2676 1 6 . 1 1 68 68 GLU H H 68 8.850 8.850 8.924 -0.074 25493 2677 1 6 . 1 1 69 69 GLU N N 69 120.300 120.300 119.339 0.961 25493 2678 1 6 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.284 -0.254 25493 2679 1 6 . 1 1 69 69 GLU C C 69 179.000 179.000 178.088 0.912 25493 2680 1 6 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.210 1.990 25493 2681 1 6 . 1 1 69 69 GLU CB C 69 29.200 29.200 30.119 -0.919 25493 2682 1 6 . 1 1 69 69 GLU H H 69 8.190 8.190 8.187 0.003 25493 2683 1 6 . 1 1 70 70 LEU N N 70 121.300 121.300 122.043 -0.743 25493 2684 1 6 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.070 -0.200 25493 2685 1 6 . 1 1 70 70 LEU C C 70 178.500 178.500 178.770 -0.270 25493 2686 1 6 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.299 0.901 25493 2687 1 6 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.822 -1.121 25493 2688 1 6 . 1 1 70 70 LEU H H 70 8.120 8.120 7.631 0.489 25493 2689 1 6 . 1 1 71 71 ALA N N 71 121.000 121.000 119.940 1.060 25493 2690 1 6 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.919 -0.179 25493 2691 1 6 . 1 1 71 71 ALA C C 71 180.100 180.100 178.114 1.986 25493 2692 1 6 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.376 1.124 25493 2693 1 6 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.661 -0.961 25493 2694 1 6 . 1 1 71 71 ALA H H 71 8.330 8.330 8.642 -0.312 25493 2695 1 6 . 1 1 72 72 LYS N N 72 118.200 118.200 115.215 2.985 25493 2696 1 6 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.357 -0.397 25493 2697 1 6 . 1 1 72 72 LYS C C 72 179.800 179.800 178.515 1.285 25493 2698 1 6 . 1 1 72 72 LYS CA C 72 59.800 59.800 57.700 2.100 25493 2699 1 6 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.322 0.178 25493 2700 1 6 . 1 1 72 72 LYS H H 72 8.150 8.150 7.562 0.588 25493 2701 1 6 . 1 1 73 73 ARG N N 73 120.600 120.600 121.120 -0.520 25493 2702 1 6 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.093 -0.103 25493 2703 1 6 . 1 1 73 73 ARG C C 73 180.100 180.100 178.096 2.004 25493 2704 1 6 . 1 1 73 73 ARG CA C 73 59.300 59.300 59.156 0.145 25493 2705 1 6 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.423 1.577 25493 2706 1 6 . 1 1 73 73 ARG H H 73 8.140 8.140 8.461 -0.321 25493 2707 1 6 . 1 1 74 74 ALA N N 74 121.700 121.700 121.525 0.175 25493 2708 1 6 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.111 -0.331 25493 2709 1 6 . 1 1 74 74 ALA C C 74 178.100 178.100 178.965 -0.865 25493 2710 1 6 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.385 -0.485 25493 2711 1 6 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.384 -1.184 25493 2712 1 6 . 1 1 74 74 ALA H H 74 8.970 8.970 8.134 0.836 25493 2713 1 6 . 1 1 75 75 LYS N N 75 117.900 117.900 117.192 0.708 25493 2714 1 6 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.104 -0.364 25493 2715 1 6 . 1 1 75 75 LYS C C 75 178.300 178.300 177.731 0.569 25493 2716 1 6 . 1 1 75 75 LYS CA C 75 60.300 60.300 58.310 1.990 25493 2717 1 6 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.353 0.147 25493 2718 1 6 . 1 1 75 75 LYS H H 75 8.200 8.200 7.666 0.534 25493 2719 1 6 . 1 1 76 76 LYS N N 76 118.800 118.800 121.004 -2.204 25493 2720 1 6 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.122 -0.232 25493 2721 1 6 . 1 1 76 76 LYS C C 76 179.200 179.200 179.198 0.002 25493 2722 1 6 . 1 1 76 76 LYS CA C 76 59.800 59.800 58.510 1.290 25493 2723 1 6 . 1 1 76 76 LYS CB C 76 32.400 32.400 32.325 0.075 25493 2724 1 6 . 1 1 76 76 LYS H H 76 7.630 7.630 7.397 0.233 25493 2725 1 6 . 1 1 77 77 LEU N N 77 121.400 121.400 121.768 -0.368 25493 2726 1 6 . 1 1 77 77 LEU HA H 77 3.630 3.630 3.756 -0.126 25493 2727 1 6 . 1 1 77 77 LEU C C 77 178.200 178.200 179.208 -1.008 25493 2728 1 6 . 1 1 77 77 LEU CA C 77 57.600 57.600 57.627 -0.027 25493 2729 1 6 . 1 1 77 77 LEU CB C 77 41.800 41.800 41.928 -0.128 25493 2730 1 6 . 1 1 77 77 LEU H H 77 7.430 7.430 8.537 -1.107 25493 2731 1 6 . 1 1 78 78 LEU N N 78 117.600 117.600 119.390 -1.790 25493 2732 1 6 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.768 -0.008 25493 2733 1 6 . 1 1 78 78 LEU C C 78 180.300 180.300 178.320 1.980 25493 2734 1 6 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.702 0.398 25493 2735 1 6 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.873 0.327 25493 2736 1 6 . 1 1 78 78 LEU H H 78 7.960 7.960 8.547 -0.587 25493 2737 1 6 . 1 1 79 79 ARG N N 79 119.800 119.800 117.565 2.235 25493 2738 1 6 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.934 0.176 25493 2739 1 6 . 1 1 79 79 ARG C C 79 179.500 179.500 178.381 1.119 25493 2740 1 6 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.407 0.793 25493 2741 1 6 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.585 0.115 25493 2742 1 6 . 1 1 79 79 ARG H H 79 8.110 8.110 7.522 0.588 25493 2743 1 6 . 1 1 80 80 SER N N 80 117.800 117.800 115.347 2.453 25493 2744 1 6 . 1 1 80 80 SER HA H 80 4.310 4.310 4.102 0.208 25493 2745 1 6 . 1 1 80 80 SER C C 80 177.000 177.000 174.866 2.134 25493 2746 1 6 . 1 1 80 80 SER CA C 80 61.500 61.500 60.476 1.024 25493 2747 1 6 . 1 1 80 80 SER CB C 80 62.500 62.500 62.887 -0.387 25493 2748 1 6 . 1 1 80 80 SER H H 80 7.870 7.870 7.442 0.428 25493 2749 1 6 . 1 1 81 81 TRP N N 81 123.300 123.300 116.685 6.615 25493 2750 1 6 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.020 -0.210 25493 2751 1 6 . 1 1 81 81 TRP C C 81 178.200 178.200 177.461 0.739 25493 2752 1 6 . 1 1 81 81 TRP CA C 81 56.500 56.500 56.521 -0.021 25493 2753 1 6 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.474 0.726 25493 2754 1 6 . 1 1 81 81 TRP H H 81 8.010 8.010 7.165 0.845 25493 2755 1 6 . 1 1 82 82 GLN N N 82 120.400 120.400 121.578 -1.178 25493 2756 1 6 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.062 0.018 25493 2757 1 6 . 1 1 82 82 GLN C C 82 177.600 177.600 176.551 1.049 25493 2758 1 6 . 1 1 82 82 GLN CA C 82 59.200 59.200 59.100 0.100 25493 2759 1 6 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.185 0.015 25493 2760 1 6 . 1 1 82 82 GLN H H 82 8.080 8.080 8.051 0.029 25493 2761 1 6 . 1 1 83 83 LYS N N 83 115.600 115.600 115.520 0.080 25493 2762 1 6 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.255 -0.035 25493 2763 1 6 . 1 1 83 83 LYS C C 83 177.400 177.400 176.749 0.651 25493 2764 1 6 . 1 1 83 83 LYS CA C 83 57.600 57.600 57.229 0.371 25493 2765 1 6 . 1 1 83 83 LYS CB C 83 32.500 32.500 31.671 0.829 25493 2766 1 6 . 1 1 83 83 LYS H H 83 7.770 7.770 8.317 -0.547 25493 2767 1 6 . 1 1 84 84 LEU N N 84 117.900 117.900 117.625 0.275 25493 2768 1 6 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.541 -0.261 25493 2769 1 6 . 1 1 84 84 LEU C C 84 177.500 177.500 177.114 0.386 25493 2770 1 6 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.177 0.823 25493 2771 1 6 . 1 1 84 84 LEU CB C 84 42.900 42.900 44.104 -1.204 25493 2772 1 6 . 1 1 84 84 LEU H H 84 7.670 7.670 7.960 -0.290 25493 2773 1 6 . 1 1 85 85 ILE N N 85 115.400 115.400 114.570 0.830 25493 2774 1 6 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.383 -0.253 25493 2775 1 6 . 1 1 85 85 ILE C C 85 175.100 175.100 174.422 0.678 25493 2776 1 6 . 1 1 85 85 ILE CA C 85 61.400 61.400 59.438 1.962 25493 2777 1 6 . 1 1 85 85 ILE CB C 85 39.600 39.600 40.472 -0.873 25493 2778 1 6 . 1 1 85 85 ILE H H 85 7.490 7.490 7.814 -0.324 25493 2779 1 7 . 1 1 7 7 ALA N N 7 123.700 123.700 122.628 1.072 25493 2780 1 7 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.400 0.020 25493 2781 1 7 . 1 1 7 7 ALA C C 7 176.700 176.700 175.055 1.645 25493 2782 1 7 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.839 -0.239 25493 2783 1 7 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.629 -0.729 25493 2784 1 7 . 1 1 7 7 ALA H H 7 8.040 8.040 7.973 0.067 25493 2785 1 7 . 1 1 8 8 SER N N 8 117.100 117.100 117.150 -0.050 25493 2786 1 7 . 1 1 8 8 SER HA H 8 4.750 4.750 4.189 0.561 25493 2787 1 7 . 1 1 8 8 SER CA C 8 56.000 56.000 55.899 0.101 25493 2788 1 7 . 1 1 8 8 SER CB C 8 63.300 63.300 63.830 -0.529 25493 2789 1 7 . 1 1 8 8 SER H H 8 8.430 8.430 8.355 0.075 25493 2790 1 7 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.879 0.061 25493 2791 1 7 . 1 1 9 9 PRO C C 9 177.400 177.400 178.355 -0.955 25493 2792 1 7 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.594 0.206 25493 2793 1 7 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.634 0.366 25493 2794 1 7 . 1 1 10 10 GLN N N 10 116.000 116.000 116.495 -0.495 25493 2795 1 7 . 1 1 10 10 GLN HA H 10 3.660 3.660 3.901 -0.241 25493 2796 1 7 . 1 1 10 10 GLN C C 10 177.500 177.500 178.256 -0.756 25493 2797 1 7 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.688 0.612 25493 2798 1 7 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.895 -0.395 25493 2799 1 7 . 1 1 10 10 GLN H H 10 8.350 8.350 8.503 -0.153 25493 2800 1 7 . 1 1 11 11 GLN N N 11 119.200 119.200 117.664 1.536 25493 2801 1 7 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.099 -0.019 25493 2802 1 7 . 1 1 11 11 GLN C C 11 179.600 179.600 178.075 1.525 25493 2803 1 7 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.499 0.401 25493 2804 1 7 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.554 0.046 25493 2805 1 7 . 1 1 11 11 GLN H H 11 7.680 7.680 7.656 0.024 25493 2806 1 7 . 1 1 12 12 ILE N N 12 121.300 121.300 112.883 8.417 25493 2807 1 7 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.969 -0.439 25493 2808 1 7 . 1 1 12 12 ILE C C 12 177.200 177.200 177.490 -0.290 25493 2809 1 7 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.223 2.077 25493 2810 1 7 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.009 0.391 25493 2811 1 7 . 1 1 12 12 ILE H H 12 8.190 8.190 7.893 0.297 25493 2812 1 7 . 1 1 13 13 ARG N N 13 120.200 120.200 122.234 -2.034 25493 2813 1 7 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.928 -0.188 25493 2814 1 7 . 1 1 13 13 ARG C C 13 177.700 177.700 177.960 -0.260 25493 2815 1 7 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.941 0.359 25493 2816 1 7 . 1 1 13 13 ARG CB C 13 28.200 28.200 30.010 -1.810 25493 2817 1 7 . 1 1 13 13 ARG H H 13 8.320 8.320 8.297 0.023 25493 2818 1 7 . 1 1 14 14 ASP N N 14 119.200 119.200 117.563 1.637 25493 2819 1 7 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.578 -0.248 25493 2820 1 7 . 1 1 14 14 ASP C C 14 178.800 178.800 176.654 2.146 25493 2821 1 7 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.687 2.313 25493 2822 1 7 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.082 -0.482 25493 2823 1 7 . 1 1 14 14 ASP H H 14 8.280 8.280 7.951 0.329 25493 2824 1 7 . 1 1 15 15 ARG N N 15 120.400 120.400 118.448 1.952 25493 2825 1 7 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.449 -0.479 25493 2826 1 7 . 1 1 15 15 ARG C C 15 179.300 179.300 177.749 1.551 25493 2827 1 7 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.908 2.292 25493 2828 1 7 . 1 1 15 15 ARG CB C 15 30.000 30.000 32.049 -2.049 25493 2829 1 7 . 1 1 15 15 ARG H H 15 7.980 7.980 7.552 0.428 25493 2830 1 7 . 1 1 16 16 LEU N N 16 120.500 120.500 120.734 -0.234 25493 2831 1 7 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.248 -0.278 25493 2832 1 7 . 1 1 16 16 LEU C C 16 178.500 178.500 178.160 0.340 25493 2833 1 7 . 1 1 16 16 LEU CA C 16 58.100 58.100 58.491 -0.391 25493 2834 1 7 . 1 1 16 16 LEU CB C 16 41.200 41.200 41.972 -0.772 25493 2835 1 7 . 1 1 16 16 LEU H H 16 8.210 8.210 8.461 -0.251 25493 2836 1 7 . 1 1 17 17 LEU N N 17 116.100 116.100 118.377 -2.277 25493 2837 1 7 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.146 -0.146 25493 2838 1 7 . 1 1 17 17 LEU C C 17 179.400 179.400 178.606 0.794 25493 2839 1 7 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.234 0.366 25493 2840 1 7 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.577 0.123 25493 2841 1 7 . 1 1 17 17 LEU H H 17 8.310 8.310 7.998 0.312 25493 2842 1 7 . 1 1 18 18 GLN N N 18 114.300 114.300 116.411 -2.111 25493 2843 1 7 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.208 0.032 25493 2844 1 7 . 1 1 18 18 GLN C C 18 176.700 176.700 177.570 -0.870 25493 2845 1 7 . 1 1 18 18 GLN CA C 18 57.000 57.000 57.208 -0.208 25493 2846 1 7 . 1 1 18 18 GLN CB C 18 28.800 28.800 28.199 0.601 25493 2847 1 7 . 1 1 18 18 GLN H H 18 7.460 7.460 7.914 -0.454 25493 2848 1 7 . 1 1 19 19 ALA N N 19 120.800 120.800 120.877 -0.077 25493 2849 1 7 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.190 0.300 25493 2850 1 7 . 1 1 19 19 ALA C C 19 176.000 176.000 177.266 -1.266 25493 2851 1 7 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.681 -1.081 25493 2852 1 7 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.501 2.599 25493 2853 1 7 . 1 1 19 19 ALA H H 19 7.770 7.770 7.858 -0.088 25493 2854 1 7 . 1 1 20 20 ILE N N 20 113.500 113.500 112.356 1.144 25493 2855 1 7 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.571 0.629 25493 2856 1 7 . 1 1 20 20 ILE C C 20 173.600 173.600 174.081 -0.481 25493 2857 1 7 . 1 1 20 20 ILE CA C 20 59.200 59.200 59.415 -0.215 25493 2858 1 7 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.904 1.896 25493 2859 1 7 . 1 1 20 20 ILE H H 20 7.360 7.360 7.299 0.061 25493 2860 1 7 . 1 1 21 21 ASP N N 21 122.500 122.500 118.615 3.885 25493 2861 1 7 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.062 -0.082 25493 2862 1 7 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.605 0.495 25493 2863 1 7 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.738 -0.538 25493 2864 1 7 . 1 1 21 21 ASP H H 21 8.530 8.530 8.249 0.281 25493 2865 1 7 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.373 0.077 25493 2866 1 7 . 1 1 22 22 PRO C C 22 177.500 177.500 176.846 0.654 25493 2867 1 7 . 1 1 22 22 PRO CA C 22 65.200 65.200 64.166 1.034 25493 2868 1 7 . 1 1 22 22 PRO CB C 22 31.900 31.900 32.207 -0.307 25493 2869 1 7 . 1 1 23 23 GLN N N 23 115.900 115.900 118.837 -2.937 25493 2870 1 7 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.207 0.213 25493 2871 1 7 . 1 1 23 23 GLN C C 23 174.800 174.800 175.535 -0.735 25493 2872 1 7 . 1 1 23 23 GLN CA C 23 55.400 55.400 57.967 -2.567 25493 2873 1 7 . 1 1 23 23 GLN CB C 23 28.700 28.700 29.637 -0.937 25493 2874 1 7 . 1 1 23 23 GLN H H 23 7.950 7.950 7.986 -0.036 25493 2875 1 7 . 1 1 24 24 SER N N 24 107.900 107.900 106.914 0.986 25493 2876 1 7 . 1 1 24 24 SER HA H 24 3.730 3.730 4.605 -0.875 25493 2877 1 7 . 1 1 24 24 SER C C 24 173.200 173.200 174.500 -1.300 25493 2878 1 7 . 1 1 24 24 SER CA C 24 60.300 60.300 57.324 2.976 25493 2879 1 7 . 1 1 24 24 SER CB C 24 60.300 60.300 64.494 -4.194 25493 2880 1 7 . 1 1 24 24 SER H H 24 8.270 8.270 8.021 0.249 25493 2881 1 7 . 1 1 25 25 ASN N N 25 117.000 117.000 122.247 -5.247 25493 2882 1 7 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.676 -0.146 25493 2883 1 7 . 1 1 25 25 ASN C C 25 175.600 175.600 174.926 0.674 25493 2884 1 7 . 1 1 25 25 ASN CA C 25 52.800 52.800 54.747 -1.947 25493 2885 1 7 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.475 -0.975 25493 2886 1 7 . 1 1 25 25 ASN H H 25 8.500 8.500 7.560 0.940 25493 2887 1 7 . 1 1 26 26 ILE N N 26 122.400 122.400 117.142 5.258 25493 2888 1 7 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.202 -0.382 25493 2889 1 7 . 1 1 26 26 ILE C C 26 176.400 176.400 176.686 -0.286 25493 2890 1 7 . 1 1 26 26 ILE CA C 26 63.600 63.600 61.186 2.414 25493 2891 1 7 . 1 1 26 26 ILE CB C 26 38.600 38.600 39.498 -0.898 25493 2892 1 7 . 1 1 26 26 ILE H H 26 8.890 8.890 8.521 0.369 25493 2893 1 7 . 1 1 27 27 ARG N N 27 127.600 127.600 117.282 10.318 25493 2894 1 7 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.899 0.631 25493 2895 1 7 . 1 1 27 27 ARG C C 27 176.000 176.000 176.144 -0.144 25493 2896 1 7 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.879 -2.379 25493 2897 1 7 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.865 2.535 25493 2898 1 7 . 1 1 27 27 ARG H H 27 9.070 9.070 8.487 0.583 25493 2899 1 7 . 1 1 28 28 ASN N N 28 117.300 117.300 118.878 -1.578 25493 2900 1 7 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.931 -0.001 25493 2901 1 7 . 1 1 28 28 ASN C C 28 174.300 174.300 175.166 -0.866 25493 2902 1 7 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.823 -0.223 25493 2903 1 7 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.672 0.328 25493 2904 1 7 . 1 1 28 28 ASN H H 28 7.510 7.510 8.406 -0.896 25493 2905 1 7 . 1 1 29 29 MET N N 29 125.700 125.700 123.740 1.960 25493 2906 1 7 . 1 1 29 29 MET HA H 29 4.190 4.190 4.141 0.049 25493 2907 1 7 . 1 1 29 29 MET C C 29 177.300 177.300 177.526 -0.226 25493 2908 1 7 . 1 1 29 29 MET CA C 29 57.600 57.600 58.875 -1.275 25493 2909 1 7 . 1 1 29 29 MET CB C 29 31.400 31.400 32.798 -1.398 25493 2910 1 7 . 1 1 29 29 MET H H 29 8.940 8.940 8.795 0.145 25493 2911 1 7 . 1 1 30 30 VAL N N 30 118.600 118.600 118.318 0.282 25493 2912 1 7 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.672 -0.152 25493 2913 1 7 . 1 1 30 30 VAL C C 30 178.800 178.800 176.718 2.082 25493 2914 1 7 . 1 1 30 30 VAL CA C 30 66.900 66.900 65.230 1.671 25493 2915 1 7 . 1 1 30 30 VAL CB C 30 31.500 31.500 31.572 -0.072 25493 2916 1 7 . 1 1 30 30 VAL H H 30 7.910 7.910 8.026 -0.116 25493 2917 1 7 . 1 1 31 31 ALA N N 31 120.600 120.600 120.782 -0.182 25493 2918 1 7 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.378 -0.248 25493 2919 1 7 . 1 1 31 31 ALA C C 31 180.300 180.300 179.471 0.829 25493 2920 1 7 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.631 -0.331 25493 2921 1 7 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.512 0.388 25493 2922 1 7 . 1 1 31 31 ALA H H 31 7.270 7.270 7.798 -0.528 25493 2923 1 7 . 1 1 32 32 VAL N N 32 117.900 117.900 116.529 1.371 25493 2924 1 7 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.931 -0.551 25493 2925 1 7 . 1 1 32 32 VAL C C 32 177.700 177.700 176.268 1.432 25493 2926 1 7 . 1 1 32 32 VAL CA C 32 67.700 67.700 63.861 3.839 25493 2927 1 7 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.028 -1.128 25493 2928 1 7 . 1 1 32 32 VAL H H 32 7.640 7.640 7.297 0.343 25493 2929 1 7 . 1 1 33 33 LEU N N 33 119.900 119.900 120.090 -0.190 25493 2930 1 7 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.424 -0.514 25493 2931 1 7 . 1 1 33 33 LEU C C 33 179.900 179.900 178.190 1.710 25493 2932 1 7 . 1 1 33 33 LEU CA C 33 58.300 58.300 56.670 1.630 25493 2933 1 7 . 1 1 33 33 LEU CB C 33 40.700 40.700 42.174 -1.474 25493 2934 1 7 . 1 1 33 33 LEU H H 33 8.450 8.450 7.723 0.727 25493 2935 1 7 . 1 1 34 34 GLU N N 34 121.200 121.200 121.048 0.152 25493 2936 1 7 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.008 0.052 25493 2937 1 7 . 1 1 34 34 GLU C C 34 179.800 179.800 179.132 0.668 25493 2938 1 7 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.895 -0.095 25493 2939 1 7 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.528 -0.228 25493 2940 1 7 . 1 1 34 34 GLU H H 34 8.080 8.080 8.517 -0.437 25493 2941 1 7 . 1 1 35 35 VAL N N 35 122.400 122.400 120.362 2.038 25493 2942 1 7 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.794 -0.194 25493 2943 1 7 . 1 1 35 35 VAL C C 35 177.900 177.900 177.288 0.612 25493 2944 1 7 . 1 1 35 35 VAL CA C 35 67.100 67.100 66.097 1.002 25493 2945 1 7 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.500 -0.600 25493 2946 1 7 . 1 1 35 35 VAL H H 35 8.060 8.060 7.500 0.560 25493 2947 1 7 . 1 1 36 36 ILE N N 36 119.800 119.800 120.025 -0.225 25493 2948 1 7 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.860 -0.300 25493 2949 1 7 . 1 1 36 36 ILE C C 36 177.500 177.500 178.481 -0.981 25493 2950 1 7 . 1 1 36 36 ILE CA C 36 64.200 64.200 64.459 -0.259 25493 2951 1 7 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.431 -0.131 25493 2952 1 7 . 1 1 36 36 ILE H H 36 8.420 8.420 7.281 1.139 25493 2953 1 7 . 1 1 37 37 SER N N 37 114.700 114.700 113.163 1.537 25493 2954 1 7 . 1 1 37 37 SER HA H 37 4.290 4.290 4.308 -0.018 25493 2955 1 7 . 1 1 37 37 SER C C 37 177.300 177.300 174.904 2.396 25493 2956 1 7 . 1 1 37 37 SER CA C 37 61.900 61.900 60.324 1.576 25493 2957 1 7 . 1 1 37 37 SER CB C 37 63.100 63.100 63.097 0.003 25493 2958 1 7 . 1 1 37 37 SER H H 37 8.430 8.430 8.076 0.354 25493 2959 1 7 . 1 1 38 38 SER N N 38 117.200 117.200 115.708 1.492 25493 2960 1 7 . 1 1 38 38 SER HA H 38 4.290 4.290 4.483 -0.193 25493 2961 1 7 . 1 1 38 38 SER C C 38 176.700 176.700 175.805 0.895 25493 2962 1 7 . 1 1 38 38 SER CA C 38 62.500 62.500 60.925 1.575 25493 2963 1 7 . 1 1 38 38 SER CB C 38 63.100 63.100 63.866 -0.766 25493 2964 1 7 . 1 1 38 38 SER H H 38 8.200 8.200 7.329 0.871 25493 2965 1 7 . 1 1 39 39 LEU N N 39 121.600 121.600 121.337 0.263 25493 2966 1 7 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.389 -0.019 25493 2967 1 7 . 1 1 39 39 LEU C C 39 178.700 178.700 179.007 -0.307 25493 2968 1 7 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.060 0.040 25493 2969 1 7 . 1 1 39 39 LEU CB C 39 42.800 42.800 42.134 0.666 25493 2970 1 7 . 1 1 39 39 LEU H H 39 8.150 8.150 8.436 -0.286 25493 2971 1 7 . 1 1 40 40 GLU N N 40 118.600 118.600 120.893 -2.293 25493 2972 1 7 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.184 -0.284 25493 2973 1 7 . 1 1 40 40 GLU C C 40 178.100 178.100 177.397 0.703 25493 2974 1 7 . 1 1 40 40 GLU CA C 40 58.700 58.700 59.009 -0.309 25493 2975 1 7 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.152 1.148 25493 2976 1 7 . 1 1 40 40 GLU H H 40 8.190 8.190 8.625 -0.435 25493 2977 1 7 . 1 1 41 41 LYS N N 41 116.300 116.300 115.583 0.717 25493 2978 1 7 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.343 -0.113 25493 2979 1 7 . 1 1 41 41 LYS C C 41 175.800 175.800 176.011 -0.211 25493 2980 1 7 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.866 0.734 25493 2981 1 7 . 1 1 41 41 LYS CB C 41 33.600 33.600 32.619 0.981 25493 2982 1 7 . 1 1 41 41 LYS H H 41 7.440 7.440 7.824 -0.384 25493 2983 1 7 . 1 1 42 42 TYR N N 42 121.400 121.400 124.145 -2.745 25493 2984 1 7 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.761 0.099 25493 2985 1 7 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.183 0.217 25493 2986 1 7 . 1 1 42 42 TYR CB C 42 39.600 39.600 39.782 -0.182 25493 2987 1 7 . 1 1 42 42 TYR H H 42 7.730 7.730 7.773 -0.043 25493 2988 1 7 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.631 0.129 25493 2989 1 7 . 1 1 43 43 PRO C C 43 175.800 175.800 175.835 -0.035 25493 2990 1 7 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.516 -0.015 25493 2991 1 7 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.460 -0.160 25493 2992 1 7 . 1 1 44 44 ILE N N 44 124.000 124.000 124.120 -0.120 25493 2993 1 7 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.141 0.329 25493 2994 1 7 . 1 1 44 44 ILE C C 44 174.300 174.300 176.649 -2.349 25493 2995 1 7 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.927 -1.627 25493 2996 1 7 . 1 1 44 44 ILE CB C 44 40.700 40.700 38.239 2.461 25493 2997 1 7 . 1 1 44 44 ILE H H 44 8.200 8.200 7.875 0.325 25493 2998 1 7 . 1 1 45 45 THR N N 45 112.200 112.200 115.104 -2.904 25493 2999 1 7 . 1 1 45 45 THR HA H 45 4.530 4.530 4.738 -0.208 25493 3000 1 7 . 1 1 45 45 THR C C 45 175.100 175.100 175.316 -0.216 25493 3001 1 7 . 1 1 45 45 THR CA C 45 59.800 59.800 60.067 -0.267 25493 3002 1 7 . 1 1 45 45 THR CB C 45 72.300 72.300 70.790 1.510 25493 3003 1 7 . 1 1 45 45 THR H H 45 7.330 7.330 7.990 -0.660 25493 3004 1 7 . 1 1 46 46 LYS N N 46 121.500 121.500 124.837 -3.337 25493 3005 1 7 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.842 -0.102 25493 3006 1 7 . 1 1 46 46 LYS C C 46 178.200 178.200 178.633 -0.433 25493 3007 1 7 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.361 0.639 25493 3008 1 7 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.779 0.721 25493 3009 1 7 . 1 1 46 46 LYS H H 46 9.090 9.090 8.995 0.095 25493 3010 1 7 . 1 1 47 47 GLU N N 47 118.400 118.400 118.964 -0.564 25493 3011 1 7 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.025 -0.005 25493 3012 1 7 . 1 1 47 47 GLU C C 47 179.000 179.000 177.811 1.189 25493 3013 1 7 . 1 1 47 47 GLU CA C 47 60.800 60.800 58.870 1.930 25493 3014 1 7 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.353 -0.653 25493 3015 1 7 . 1 1 47 47 GLU H H 47 9.010 9.010 8.698 0.312 25493 3016 1 7 . 1 1 48 48 ALA N N 48 122.300 122.300 120.743 1.557 25493 3017 1 7 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.335 -0.065 25493 3018 1 7 . 1 1 48 48 ALA C C 48 181.900 181.900 179.336 2.564 25493 3019 1 7 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.321 1.579 25493 3020 1 7 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.748 -0.948 25493 3021 1 7 . 1 1 48 48 ALA H H 48 7.860 7.860 7.591 0.269 25493 3022 1 7 . 1 1 49 49 LEU N N 49 122.200 122.200 122.221 -0.021 25493 3023 1 7 . 1 1 49 49 LEU HA H 49 3.580 3.580 3.973 -0.393 25493 3024 1 7 . 1 1 49 49 LEU C C 49 179.800 179.800 178.005 1.795 25493 3025 1 7 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.930 0.770 25493 3026 1 7 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.447 -0.147 25493 3027 1 7 . 1 1 49 49 LEU H H 49 8.260 8.260 8.294 -0.034 25493 3028 1 7 . 1 1 50 50 GLU N N 50 120.400 120.400 117.344 3.056 25493 3029 1 7 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.003 0.037 25493 3030 1 7 . 1 1 50 50 GLU C C 50 178.900 178.900 178.788 0.112 25493 3031 1 7 . 1 1 50 50 GLU CA C 50 59.200 59.200 59.172 0.028 25493 3032 1 7 . 1 1 50 50 GLU CB C 50 29.200 29.200 28.924 0.276 25493 3033 1 7 . 1 1 50 50 GLU H H 50 8.120 8.120 8.069 0.051 25493 3034 1 7 . 1 1 51 51 GLU N N 51 118.500 118.500 120.695 -2.195 25493 3035 1 7 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.199 -0.149 25493 3036 1 7 . 1 1 51 51 GLU C C 51 178.800 178.800 178.450 0.350 25493 3037 1 7 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.617 0.583 25493 3038 1 7 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.407 0.893 25493 3039 1 7 . 1 1 51 51 GLU H H 51 8.200 8.200 8.168 0.032 25493 3040 1 7 . 1 1 52 52 THR N N 52 104.700 104.700 109.899 -5.199 25493 3041 1 7 . 1 1 52 52 THR HA H 52 4.090 4.090 4.300 -0.210 25493 3042 1 7 . 1 1 52 52 THR C C 52 175.400 175.400 175.357 0.043 25493 3043 1 7 . 1 1 52 52 THR CA C 52 63.100 63.100 62.359 0.741 25493 3044 1 7 . 1 1 52 52 THR CB C 52 71.800 71.800 69.530 2.270 25493 3045 1 7 . 1 1 52 52 THR H H 52 7.840 7.840 8.039 -0.199 25493 3046 1 7 . 1 1 53 53 ARG N N 53 114.400 114.400 119.419 -5.019 25493 3047 1 7 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.918 0.192 25493 3048 1 7 . 1 1 53 53 ARG C C 53 177.200 177.200 175.996 1.204 25493 3049 1 7 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.657 0.643 25493 3050 1 7 . 1 1 53 53 ARG CB C 53 27.500 27.500 27.600 -0.100 25493 3051 1 7 . 1 1 53 53 ARG H H 53 7.680 7.680 7.640 0.040 25493 3052 1 7 . 1 1 54 54 LEU N N 54 117.200 117.200 119.892 -2.692 25493 3053 1 7 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.118 -0.308 25493 3054 1 7 . 1 1 54 54 LEU C C 54 178.200 178.200 177.903 0.297 25493 3055 1 7 . 1 1 54 54 LEU CA C 54 58.700 58.700 58.144 0.556 25493 3056 1 7 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.792 1.607 25493 3057 1 7 . 1 1 54 54 LEU H H 54 7.460 7.460 7.507 -0.047 25493 3058 1 7 . 1 1 55 55 GLY N N 55 105.900 105.900 105.245 0.655 25493 3059 1 7 . 1 1 55 55 GLY C C 55 175.500 175.500 175.690 -0.190 25493 3060 1 7 . 1 1 55 55 GLY CA C 55 47.200 47.200 46.982 0.218 25493 3061 1 7 . 1 1 55 55 GLY H H 55 8.650 8.650 8.599 0.051 25493 3062 1 7 . 1 1 56 56 LYS N N 56 123.300 123.300 122.163 1.137 25493 3063 1 7 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.000 0.110 25493 3064 1 7 . 1 1 56 56 LYS C C 56 178.300 178.300 178.633 -0.333 25493 3065 1 7 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.347 0.853 25493 3066 1 7 . 1 1 56 56 LYS CB C 56 32.500 32.500 31.684 0.816 25493 3067 1 7 . 1 1 56 56 LYS H H 56 7.210 7.210 7.846 -0.636 25493 3068 1 7 . 1 1 57 57 LEU N N 57 117.700 117.700 118.971 -1.271 25493 3069 1 7 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.119 0.061 25493 3070 1 7 . 1 1 57 57 LEU C C 57 179.600 179.600 179.287 0.313 25493 3071 1 7 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.703 -0.003 25493 3072 1 7 . 1 1 57 57 LEU CB C 57 43.400 43.400 41.928 1.472 25493 3073 1 7 . 1 1 57 57 LEU H H 57 7.900 7.900 7.603 0.297 25493 3074 1 7 . 1 1 58 58 ILE N N 58 116.600 116.600 118.739 -2.139 25493 3075 1 7 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.766 -0.086 25493 3076 1 7 . 1 1 58 58 ILE C C 58 177.900 177.900 178.511 -0.611 25493 3077 1 7 . 1 1 58 58 ILE CA C 58 63.100 63.100 63.627 -0.527 25493 3078 1 7 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.617 -0.817 25493 3079 1 7 . 1 1 58 58 ILE H H 58 8.640 8.640 7.622 1.018 25493 3080 1 7 . 1 1 59 59 ASN N N 59 119.600 119.600 119.214 0.386 25493 3081 1 7 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.470 -0.100 25493 3082 1 7 . 1 1 59 59 ASN C C 59 176.700 176.700 177.256 -0.556 25493 3083 1 7 . 1 1 59 59 ASN CA C 59 57.000 57.000 56.854 0.146 25493 3084 1 7 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.565 -0.065 25493 3085 1 7 . 1 1 59 59 ASN H H 59 8.120 8.120 8.353 -0.233 25493 3086 1 7 . 1 1 60 60 ASP N N 60 119.600 119.600 119.801 -0.201 25493 3087 1 7 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.527 -0.147 25493 3088 1 7 . 1 1 60 60 ASP C C 60 179.400 179.400 178.525 0.875 25493 3089 1 7 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.053 0.547 25493 3090 1 7 . 1 1 60 60 ASP CB C 60 39.600 39.600 41.146 -1.546 25493 3091 1 7 . 1 1 60 60 ASP H H 60 8.490 8.490 7.850 0.640 25493 3092 1 7 . 1 1 61 61 VAL N N 61 118.700 118.700 121.294 -2.594 25493 3093 1 7 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.969 -0.219 25493 3094 1 7 . 1 1 61 61 VAL C C 61 179.000 179.000 176.981 2.019 25493 3095 1 7 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.037 0.763 25493 3096 1 7 . 1 1 61 61 VAL CB C 61 32.500 32.500 32.114 0.386 25493 3097 1 7 . 1 1 61 61 VAL H H 61 7.930 7.930 7.802 0.128 25493 3098 1 7 . 1 1 62 62 ARG N N 62 120.900 120.900 115.978 4.922 25493 3099 1 7 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.271 -0.621 25493 3100 1 7 . 1 1 62 62 ARG C C 62 177.100 177.100 176.486 0.614 25493 3101 1 7 . 1 1 62 62 ARG CA C 62 59.200 59.200 56.483 2.717 25493 3102 1 7 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.545 0.255 25493 3103 1 7 . 1 1 62 62 ARG H H 62 8.620 8.620 7.487 1.133 25493 3104 1 7 . 1 1 63 63 LYS N N 63 115.700 115.700 117.926 -2.226 25493 3105 1 7 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.268 -0.338 25493 3106 1 7 . 1 1 63 63 LYS C C 63 177.600 177.600 178.115 -0.515 25493 3107 1 7 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.382 1.819 25493 3108 1 7 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.337 0.663 25493 3109 1 7 . 1 1 63 63 LYS H H 63 7.940 7.940 7.525 0.415 25493 3110 1 7 . 1 1 64 64 LYS N N 64 115.300 115.300 119.049 -3.749 25493 3111 1 7 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.289 0.141 25493 3112 1 7 . 1 1 64 64 LYS C C 64 176.900 176.900 176.851 0.049 25493 3113 1 7 . 1 1 64 64 LYS CA C 64 55.400 55.400 57.770 -2.370 25493 3114 1 7 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.829 0.271 25493 3115 1 7 . 1 1 64 64 LYS H H 64 7.130 7.130 7.963 -0.833 25493 3116 1 7 . 1 1 65 65 THR N N 65 113.500 113.500 112.114 1.386 25493 3117 1 7 . 1 1 65 65 THR HA H 65 4.520 4.520 4.597 -0.077 25493 3118 1 7 . 1 1 65 65 THR C C 65 173.200 173.200 172.484 0.716 25493 3119 1 7 . 1 1 65 65 THR CA C 65 62.000 62.000 61.009 0.991 25493 3120 1 7 . 1 1 65 65 THR CB C 65 69.600 69.600 69.922 -0.322 25493 3121 1 7 . 1 1 65 65 THR H H 65 7.250 7.250 7.948 -0.698 25493 3122 1 7 . 1 1 66 66 LYS N N 66 125.700 125.700 120.325 5.375 25493 3123 1 7 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.916 -0.406 25493 3124 1 7 . 1 1 66 66 LYS C C 66 175.900 175.900 174.567 1.333 25493 3125 1 7 . 1 1 66 66 LYS CA C 66 55.400 55.400 54.927 0.473 25493 3126 1 7 . 1 1 66 66 LYS CB C 66 32.000 32.000 35.363 -3.363 25493 3127 1 7 . 1 1 66 66 LYS H H 66 8.500 8.500 8.387 0.113 25493 3128 1 7 . 1 1 67 67 ASN N N 67 122.100 122.100 118.434 3.666 25493 3129 1 7 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.937 -0.247 25493 3130 1 7 . 1 1 67 67 ASN C C 67 174.400 174.400 175.204 -0.804 25493 3131 1 7 . 1 1 67 67 ASN CA C 67 53.200 53.200 52.338 0.862 25493 3132 1 7 . 1 1 67 67 ASN CB C 67 39.000 39.000 40.053 -1.053 25493 3133 1 7 . 1 1 67 67 ASN H H 67 8.570 8.570 8.514 0.056 25493 3134 1 7 . 1 1 68 68 GLU N N 68 128.400 128.400 120.534 7.866 25493 3135 1 7 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.235 -0.245 25493 3136 1 7 . 1 1 68 68 GLU C C 68 178.500 178.500 177.097 1.403 25493 3137 1 7 . 1 1 68 68 GLU CA C 68 59.300 59.300 58.507 0.793 25493 3138 1 7 . 1 1 68 68 GLU CB C 68 29.800 29.800 30.085 -0.286 25493 3139 1 7 . 1 1 68 68 GLU H H 68 8.850 8.850 8.778 0.072 25493 3140 1 7 . 1 1 69 69 GLU N N 69 120.300 120.300 118.946 1.354 25493 3141 1 7 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.391 -0.361 25493 3142 1 7 . 1 1 69 69 GLU C C 69 179.000 179.000 178.615 0.385 25493 3143 1 7 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.216 1.984 25493 3144 1 7 . 1 1 69 69 GLU CB C 69 29.200 29.200 29.780 -0.580 25493 3145 1 7 . 1 1 69 69 GLU H H 69 8.190 8.190 8.252 -0.062 25493 3146 1 7 . 1 1 70 70 LEU N N 70 121.300 121.300 120.637 0.663 25493 3147 1 7 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.087 -0.217 25493 3148 1 7 . 1 1 70 70 LEU C C 70 178.500 178.500 177.714 0.786 25493 3149 1 7 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.242 0.958 25493 3150 1 7 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.523 -0.823 25493 3151 1 7 . 1 1 70 70 LEU H H 70 8.120 8.120 8.108 0.012 25493 3152 1 7 . 1 1 71 71 ALA N N 71 121.000 121.000 119.642 1.358 25493 3153 1 7 . 1 1 71 71 ALA HA H 71 3.740 3.740 4.031 -0.291 25493 3154 1 7 . 1 1 71 71 ALA C C 71 180.100 180.100 178.200 1.900 25493 3155 1 7 . 1 1 71 71 ALA CA C 71 56.500 56.500 54.967 1.533 25493 3156 1 7 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.539 -0.839 25493 3157 1 7 . 1 1 71 71 ALA H H 71 8.330 8.330 8.477 -0.147 25493 3158 1 7 . 1 1 72 72 LYS N N 72 118.200 118.200 114.605 3.595 25493 3159 1 7 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.416 -0.456 25493 3160 1 7 . 1 1 72 72 LYS C C 72 179.800 179.800 179.067 0.733 25493 3161 1 7 . 1 1 72 72 LYS CA C 72 59.800 59.800 57.472 2.328 25493 3162 1 7 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.417 0.083 25493 3163 1 7 . 1 1 72 72 LYS H H 72 8.150 8.150 7.554 0.596 25493 3164 1 7 . 1 1 73 73 ARG N N 73 120.600 120.600 121.490 -0.890 25493 3165 1 7 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.120 -0.130 25493 3166 1 7 . 1 1 73 73 ARG C C 73 180.100 180.100 178.032 2.068 25493 3167 1 7 . 1 1 73 73 ARG CA C 73 59.300 59.300 59.273 0.028 25493 3168 1 7 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.035 1.965 25493 3169 1 7 . 1 1 73 73 ARG H H 73 8.140 8.140 8.546 -0.406 25493 3170 1 7 . 1 1 74 74 ALA N N 74 121.700 121.700 121.483 0.217 25493 3171 1 7 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.189 -0.409 25493 3172 1 7 . 1 1 74 74 ALA C C 74 178.100 178.100 179.289 -1.189 25493 3173 1 7 . 1 1 74 74 ALA CA C 74 54.900 54.900 54.771 0.129 25493 3174 1 7 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.386 -1.186 25493 3175 1 7 . 1 1 74 74 ALA H H 74 8.970 8.970 7.973 0.997 25493 3176 1 7 . 1 1 75 75 LYS N N 75 117.900 117.900 115.062 2.838 25493 3177 1 7 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.248 -0.508 25493 3178 1 7 . 1 1 75 75 LYS C C 75 178.300 178.300 176.837 1.463 25493 3179 1 7 . 1 1 75 75 LYS CA C 75 60.300 60.300 57.973 2.327 25493 3180 1 7 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.675 -0.175 25493 3181 1 7 . 1 1 75 75 LYS H H 75 8.200 8.200 7.773 0.427 25493 3182 1 7 . 1 1 76 76 LYS N N 76 118.800 118.800 118.629 0.171 25493 3183 1 7 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.237 -0.347 25493 3184 1 7 . 1 1 76 76 LYS C C 76 179.200 179.200 177.897 1.303 25493 3185 1 7 . 1 1 76 76 LYS CA C 76 59.800 59.800 57.898 1.902 25493 3186 1 7 . 1 1 76 76 LYS CB C 76 32.400 32.400 33.014 -0.614 25493 3187 1 7 . 1 1 76 76 LYS H H 76 7.630 7.630 7.387 0.243 25493 3188 1 7 . 1 1 77 77 LEU N N 77 121.400 121.400 120.566 0.834 25493 3189 1 7 . 1 1 77 77 LEU HA H 77 3.630 3.630 3.979 -0.349 25493 3190 1 7 . 1 1 77 77 LEU C C 77 178.200 178.200 178.126 0.074 25493 3191 1 7 . 1 1 77 77 LEU CA C 77 57.600 57.600 57.454 0.146 25493 3192 1 7 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.235 -0.435 25493 3193 1 7 . 1 1 77 77 LEU H H 77 7.430 7.430 7.961 -0.531 25493 3194 1 7 . 1 1 78 78 LEU N N 78 117.600 117.600 118.267 -0.667 25493 3195 1 7 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.820 -0.060 25493 3196 1 7 . 1 1 78 78 LEU C C 78 180.300 180.300 178.797 1.503 25493 3197 1 7 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.150 0.950 25493 3198 1 7 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.788 0.413 25493 3199 1 7 . 1 1 78 78 LEU H H 78 7.960 7.960 7.643 0.317 25493 3200 1 7 . 1 1 79 79 ARG N N 79 119.800 119.800 117.104 2.696 25493 3201 1 7 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.866 0.244 25493 3202 1 7 . 1 1 79 79 ARG C C 79 179.500 179.500 178.282 1.218 25493 3203 1 7 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.940 0.260 25493 3204 1 7 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.274 0.426 25493 3205 1 7 . 1 1 79 79 ARG H H 79 8.110 8.110 8.057 0.053 25493 3206 1 7 . 1 1 80 80 SER N N 80 117.800 117.800 114.447 3.353 25493 3207 1 7 . 1 1 80 80 SER HA H 80 4.310 4.310 4.089 0.221 25493 3208 1 7 . 1 1 80 80 SER C C 80 177.000 177.000 175.076 1.924 25493 3209 1 7 . 1 1 80 80 SER CA C 80 61.500 61.500 60.412 1.088 25493 3210 1 7 . 1 1 80 80 SER CB C 80 62.500 62.500 62.816 -0.316 25493 3211 1 7 . 1 1 80 80 SER H H 80 7.870 7.870 7.517 0.353 25493 3212 1 7 . 1 1 81 81 TRP N N 81 123.300 123.300 117.502 5.798 25493 3213 1 7 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.018 -0.208 25493 3214 1 7 . 1 1 81 81 TRP C C 81 178.200 178.200 177.384 0.816 25493 3215 1 7 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.920 0.580 25493 3216 1 7 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.688 0.512 25493 3217 1 7 . 1 1 81 81 TRP H H 81 8.010 8.010 6.602 1.408 25493 3218 1 7 . 1 1 82 82 GLN N N 82 120.400 120.400 123.200 -2.800 25493 3219 1 7 . 1 1 82 82 GLN HA H 82 4.080 4.080 3.880 0.200 25493 3220 1 7 . 1 1 82 82 GLN C C 82 177.600 177.600 177.587 0.013 25493 3221 1 7 . 1 1 82 82 GLN CA C 82 59.200 59.200 59.949 -0.749 25493 3222 1 7 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.326 -0.126 25493 3223 1 7 . 1 1 82 82 GLN H H 82 8.080 8.080 7.742 0.338 25493 3224 1 7 . 1 1 83 83 LYS N N 83 115.600 115.600 118.191 -2.591 25493 3225 1 7 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.073 0.147 25493 3226 1 7 . 1 1 83 83 LYS C C 83 177.400 177.400 178.260 -0.860 25493 3227 1 7 . 1 1 83 83 LYS CA C 83 57.600 57.600 59.040 -1.440 25493 3228 1 7 . 1 1 83 83 LYS CB C 83 32.500 32.500 32.339 0.161 25493 3229 1 7 . 1 1 83 83 LYS H H 83 7.770 7.770 7.635 0.135 25493 3230 1 7 . 1 1 84 84 LEU N N 84 117.900 117.900 116.757 1.143 25493 3231 1 7 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.432 -0.152 25493 3232 1 7 . 1 1 84 84 LEU C C 84 177.500 177.500 178.039 -0.539 25493 3233 1 7 . 1 1 84 84 LEU CA C 84 56.000 56.000 56.064 -0.064 25493 3234 1 7 . 1 1 84 84 LEU CB C 84 42.900 42.900 43.509 -0.609 25493 3235 1 7 . 1 1 84 84 LEU H H 84 7.670 7.670 7.706 -0.036 25493 3236 1 7 . 1 1 85 85 ILE N N 85 115.400 115.400 113.636 1.764 25493 3237 1 7 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.108 0.022 25493 3238 1 7 . 1 1 85 85 ILE C C 85 175.100 175.100 176.741 -1.641 25493 3239 1 7 . 1 1 85 85 ILE CA C 85 61.400 61.400 62.977 -1.577 25493 3240 1 7 . 1 1 85 85 ILE CB C 85 39.600 39.600 38.385 1.215 25493 3241 1 7 . 1 1 85 85 ILE H H 85 7.490 7.490 7.969 -0.479 25493 3242 1 8 . 1 1 7 7 ALA N N 7 123.700 123.700 122.765 0.935 25493 3243 1 8 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.451 -0.031 25493 3244 1 8 . 1 1 7 7 ALA C C 7 176.700 176.700 175.483 1.217 25493 3245 1 8 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.473 0.127 25493 3246 1 8 . 1 1 7 7 ALA CB C 7 19.900 19.900 21.020 -1.120 25493 3247 1 8 . 1 1 7 7 ALA H H 7 8.040 8.040 7.903 0.137 25493 3248 1 8 . 1 1 8 8 SER N N 8 117.100 117.100 116.972 0.128 25493 3249 1 8 . 1 1 8 8 SER HA H 8 4.750 4.750 4.134 0.616 25493 3250 1 8 . 1 1 8 8 SER CA C 8 56.000 56.000 56.195 -0.195 25493 3251 1 8 . 1 1 8 8 SER CB C 8 63.300 63.300 63.289 0.011 25493 3252 1 8 . 1 1 8 8 SER H H 8 8.430 8.430 8.290 0.140 25493 3253 1 8 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.943 -0.003 25493 3254 1 8 . 1 1 9 9 PRO C C 9 177.400 177.400 178.334 -0.934 25493 3255 1 8 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.514 0.286 25493 3256 1 8 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.692 0.308 25493 3257 1 8 . 1 1 10 10 GLN N N 10 116.000 116.000 116.619 -0.619 25493 3258 1 8 . 1 1 10 10 GLN HA H 10 3.660 3.660 3.988 -0.328 25493 3259 1 8 . 1 1 10 10 GLN C C 10 177.500 177.500 178.278 -0.778 25493 3260 1 8 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.656 0.644 25493 3261 1 8 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.940 -0.440 25493 3262 1 8 . 1 1 10 10 GLN H H 10 8.350 8.350 8.432 -0.082 25493 3263 1 8 . 1 1 11 11 GLN N N 11 119.200 119.200 118.978 0.222 25493 3264 1 8 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.111 -0.031 25493 3265 1 8 . 1 1 11 11 GLN C C 11 179.600 179.600 178.324 1.276 25493 3266 1 8 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.391 0.509 25493 3267 1 8 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.605 -0.005 25493 3268 1 8 . 1 1 11 11 GLN H H 11 7.680 7.680 7.691 -0.011 25493 3269 1 8 . 1 1 12 12 ILE N N 12 121.300 121.300 114.771 6.529 25493 3270 1 8 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.807 -0.277 25493 3271 1 8 . 1 1 12 12 ILE C C 12 177.200 177.200 177.323 -0.123 25493 3272 1 8 . 1 1 12 12 ILE CA C 12 65.300 65.300 64.097 1.203 25493 3273 1 8 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.114 0.286 25493 3274 1 8 . 1 1 12 12 ILE H H 12 8.190 8.190 7.791 0.399 25493 3275 1 8 . 1 1 13 13 ARG N N 13 120.200 120.200 121.972 -1.772 25493 3276 1 8 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.943 -0.203 25493 3277 1 8 . 1 1 13 13 ARG C C 13 177.700 177.700 178.098 -0.398 25493 3278 1 8 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.684 0.616 25493 3279 1 8 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.879 -1.679 25493 3280 1 8 . 1 1 13 13 ARG H H 13 8.320 8.320 8.141 0.179 25493 3281 1 8 . 1 1 14 14 ASP N N 14 119.200 119.200 118.506 0.694 25493 3282 1 8 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.537 -0.207 25493 3283 1 8 . 1 1 14 14 ASP C C 14 178.800 178.800 177.121 1.679 25493 3284 1 8 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.816 2.184 25493 3285 1 8 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.160 -0.560 25493 3286 1 8 . 1 1 14 14 ASP H H 14 8.280 8.280 8.266 0.014 25493 3287 1 8 . 1 1 15 15 ARG N N 15 120.400 120.400 118.142 2.258 25493 3288 1 8 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.434 -0.464 25493 3289 1 8 . 1 1 15 15 ARG C C 15 179.300 179.300 177.250 2.050 25493 3290 1 8 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.659 2.541 25493 3291 1 8 . 1 1 15 15 ARG CB C 15 30.000 30.000 30.623 -0.623 25493 3292 1 8 . 1 1 15 15 ARG H H 15 7.980 7.980 7.643 0.337 25493 3293 1 8 . 1 1 16 16 LEU N N 16 120.500 120.500 119.812 0.688 25493 3294 1 8 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.395 -0.425 25493 3295 1 8 . 1 1 16 16 LEU C C 16 178.500 178.500 177.881 0.619 25493 3296 1 8 . 1 1 16 16 LEU CA C 16 58.100 58.100 58.078 0.022 25493 3297 1 8 . 1 1 16 16 LEU CB C 16 41.200 41.200 42.242 -1.042 25493 3298 1 8 . 1 1 16 16 LEU H H 16 8.210 8.210 8.292 -0.082 25493 3299 1 8 . 1 1 17 17 LEU N N 17 116.100 116.100 119.238 -3.138 25493 3300 1 8 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.060 -0.060 25493 3301 1 8 . 1 1 17 17 LEU C C 17 179.400 179.400 179.254 0.146 25493 3302 1 8 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.870 -0.270 25493 3303 1 8 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.413 0.287 25493 3304 1 8 . 1 1 17 17 LEU H H 17 8.310 8.310 8.061 0.249 25493 3305 1 8 . 1 1 18 18 GLN N N 18 114.300 114.300 116.895 -2.595 25493 3306 1 8 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.137 0.103 25493 3307 1 8 . 1 1 18 18 GLN C C 18 176.700 176.700 178.032 -1.332 25493 3308 1 8 . 1 1 18 18 GLN CA C 18 57.000 57.000 57.489 -0.489 25493 3309 1 8 . 1 1 18 18 GLN CB C 18 28.800 28.800 27.453 1.347 25493 3310 1 8 . 1 1 18 18 GLN H H 18 7.460 7.460 8.319 -0.859 25493 3311 1 8 . 1 1 19 19 ALA N N 19 120.800 120.800 120.735 0.065 25493 3312 1 8 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.261 0.229 25493 3313 1 8 . 1 1 19 19 ALA C C 19 176.000 176.000 176.899 -0.899 25493 3314 1 8 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.572 -0.973 25493 3315 1 8 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.043 3.057 25493 3316 1 8 . 1 1 19 19 ALA H H 19 7.770 7.770 7.629 0.141 25493 3317 1 8 . 1 1 20 20 ILE N N 20 113.500 113.500 112.302 1.198 25493 3318 1 8 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.696 0.504 25493 3319 1 8 . 1 1 20 20 ILE C C 20 173.600 173.600 174.486 -0.886 25493 3320 1 8 . 1 1 20 20 ILE CA C 20 59.200 59.200 58.763 0.437 25493 3321 1 8 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.767 2.033 25493 3322 1 8 . 1 1 20 20 ILE H H 20 7.360 7.360 7.335 0.025 25493 3323 1 8 . 1 1 21 21 ASP N N 21 122.500 122.500 119.332 3.168 25493 3324 1 8 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.036 -0.056 25493 3325 1 8 . 1 1 21 21 ASP CA C 21 52.100 52.100 52.196 -0.096 25493 3326 1 8 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.592 -0.392 25493 3327 1 8 . 1 1 21 21 ASP H H 21 8.530 8.530 8.452 0.078 25493 3328 1 8 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.405 0.045 25493 3329 1 8 . 1 1 22 22 PRO C C 22 177.500 177.500 176.919 0.581 25493 3330 1 8 . 1 1 22 22 PRO CA C 22 65.200 65.200 63.959 1.240 25493 3331 1 8 . 1 1 22 22 PRO CB C 22 31.900 31.900 32.139 -0.239 25493 3332 1 8 . 1 1 23 23 GLN N N 23 115.900 115.900 119.199 -3.299 25493 3333 1 8 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.143 0.277 25493 3334 1 8 . 1 1 23 23 GLN C C 23 174.800 174.800 176.274 -1.474 25493 3335 1 8 . 1 1 23 23 GLN CA C 23 55.400 55.400 57.625 -2.225 25493 3336 1 8 . 1 1 23 23 GLN CB C 23 28.700 28.700 29.111 -0.411 25493 3337 1 8 . 1 1 23 23 GLN H H 23 7.950 7.950 8.064 -0.114 25493 3338 1 8 . 1 1 24 24 SER N N 24 107.900 107.900 107.689 0.211 25493 3339 1 8 . 1 1 24 24 SER HA H 24 3.730 3.730 4.557 -0.827 25493 3340 1 8 . 1 1 24 24 SER C C 24 173.200 173.200 173.690 -0.490 25493 3341 1 8 . 1 1 24 24 SER CA C 24 60.300 60.300 57.509 2.791 25493 3342 1 8 . 1 1 24 24 SER CB C 24 60.300 60.300 64.297 -3.997 25493 3343 1 8 . 1 1 24 24 SER H H 24 8.270 8.270 7.983 0.287 25493 3344 1 8 . 1 1 25 25 ASN N N 25 117.000 117.000 122.167 -5.167 25493 3345 1 8 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.847 -0.317 25493 3346 1 8 . 1 1 25 25 ASN C C 25 175.600 175.600 175.004 0.596 25493 3347 1 8 . 1 1 25 25 ASN CA C 25 52.800 52.800 53.567 -0.767 25493 3348 1 8 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.763 -1.263 25493 3349 1 8 . 1 1 25 25 ASN H H 25 8.500 8.500 7.551 0.949 25493 3350 1 8 . 1 1 26 26 ILE N N 26 122.400 122.400 117.887 4.513 25493 3351 1 8 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.274 -0.454 25493 3352 1 8 . 1 1 26 26 ILE C C 26 176.400 176.400 176.762 -0.362 25493 3353 1 8 . 1 1 26 26 ILE CA C 26 63.600 63.600 61.257 2.343 25493 3354 1 8 . 1 1 26 26 ILE CB C 26 38.600 38.600 39.725 -1.125 25493 3355 1 8 . 1 1 26 26 ILE H H 26 8.890 8.890 8.451 0.439 25493 3356 1 8 . 1 1 27 27 ARG N N 27 127.600 127.600 117.793 9.807 25493 3357 1 8 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.849 0.681 25493 3358 1 8 . 1 1 27 27 ARG C C 27 176.000 176.000 176.268 -0.268 25493 3359 1 8 . 1 1 27 27 ARG CA C 27 56.500 56.500 59.072 -2.572 25493 3360 1 8 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.950 2.450 25493 3361 1 8 . 1 1 27 27 ARG H H 27 9.070 9.070 8.559 0.511 25493 3362 1 8 . 1 1 28 28 ASN N N 28 117.300 117.300 119.246 -1.946 25493 3363 1 8 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.937 -0.007 25493 3364 1 8 . 1 1 28 28 ASN C C 28 174.300 174.300 175.266 -0.966 25493 3365 1 8 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.747 -0.147 25493 3366 1 8 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.344 0.656 25493 3367 1 8 . 1 1 28 28 ASN H H 28 7.510 7.510 8.380 -0.870 25493 3368 1 8 . 1 1 29 29 MET N N 29 125.700 125.700 122.384 3.316 25493 3369 1 8 . 1 1 29 29 MET HA H 29 4.190 4.190 4.154 0.036 25493 3370 1 8 . 1 1 29 29 MET C C 29 177.300 177.300 176.855 0.445 25493 3371 1 8 . 1 1 29 29 MET CA C 29 57.600 57.600 59.043 -1.443 25493 3372 1 8 . 1 1 29 29 MET CB C 29 31.400 31.400 32.940 -1.540 25493 3373 1 8 . 1 1 29 29 MET H H 29 8.940 8.940 8.398 0.542 25493 3374 1 8 . 1 1 30 30 VAL N N 30 118.600 118.600 113.972 4.628 25493 3375 1 8 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.920 -0.400 25493 3376 1 8 . 1 1 30 30 VAL C C 30 178.800 178.800 176.134 2.666 25493 3377 1 8 . 1 1 30 30 VAL CA C 30 66.900 66.900 64.118 2.782 25493 3378 1 8 . 1 1 30 30 VAL CB C 30 31.500 31.500 31.245 0.255 25493 3379 1 8 . 1 1 30 30 VAL H H 30 7.910 7.910 7.830 0.080 25493 3380 1 8 . 1 1 31 31 ALA N N 31 120.600 120.600 122.119 -1.519 25493 3381 1 8 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.370 -0.240 25493 3382 1 8 . 1 1 31 31 ALA C C 31 180.300 180.300 178.902 1.398 25493 3383 1 8 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.025 0.275 25493 3384 1 8 . 1 1 31 31 ALA CB C 31 18.900 18.900 19.538 -0.638 25493 3385 1 8 . 1 1 31 31 ALA H H 31 7.270 7.270 7.896 -0.626 25493 3386 1 8 . 1 1 32 32 VAL N N 32 117.900 117.900 118.123 -0.223 25493 3387 1 8 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.843 -0.463 25493 3388 1 8 . 1 1 32 32 VAL C C 32 177.700 177.700 176.916 0.784 25493 3389 1 8 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.435 3.265 25493 3390 1 8 . 1 1 32 32 VAL CB C 32 30.900 30.900 31.981 -1.081 25493 3391 1 8 . 1 1 32 32 VAL H H 32 7.640 7.640 7.567 0.073 25493 3392 1 8 . 1 1 33 33 LEU N N 33 119.900 119.900 120.168 -0.268 25493 3393 1 8 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.217 -0.307 25493 3394 1 8 . 1 1 33 33 LEU C C 33 179.900 179.900 178.412 1.488 25493 3395 1 8 . 1 1 33 33 LEU CA C 33 58.300 58.300 56.741 1.559 25493 3396 1 8 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.387 -0.687 25493 3397 1 8 . 1 1 33 33 LEU H H 33 8.450 8.450 8.209 0.241 25493 3398 1 8 . 1 1 34 34 GLU N N 34 121.200 121.200 120.339 0.861 25493 3399 1 8 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.048 0.012 25493 3400 1 8 . 1 1 34 34 GLU C C 34 179.800 179.800 178.795 1.005 25493 3401 1 8 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.954 -0.154 25493 3402 1 8 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.341 -0.041 25493 3403 1 8 . 1 1 34 34 GLU H H 34 8.080 8.080 7.974 0.106 25493 3404 1 8 . 1 1 35 35 VAL N N 35 122.400 122.400 119.588 2.812 25493 3405 1 8 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.843 -0.243 25493 3406 1 8 . 1 1 35 35 VAL C C 35 177.900 177.900 176.822 1.078 25493 3407 1 8 . 1 1 35 35 VAL CA C 35 67.100 67.100 66.025 1.075 25493 3408 1 8 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.596 -0.696 25493 3409 1 8 . 1 1 35 35 VAL H H 35 8.060 8.060 7.421 0.639 25493 3410 1 8 . 1 1 36 36 ILE N N 36 119.800 119.800 119.809 -0.009 25493 3411 1 8 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.850 -0.290 25493 3412 1 8 . 1 1 36 36 ILE C C 36 177.500 177.500 178.183 -0.683 25493 3413 1 8 . 1 1 36 36 ILE CA C 36 64.200 64.200 64.097 0.103 25493 3414 1 8 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.571 -0.271 25493 3415 1 8 . 1 1 36 36 ILE H H 36 8.420 8.420 7.514 0.906 25493 3416 1 8 . 1 1 37 37 SER N N 37 114.700 114.700 113.364 1.336 25493 3417 1 8 . 1 1 37 37 SER HA H 37 4.290 4.290 4.185 0.105 25493 3418 1 8 . 1 1 37 37 SER C C 37 177.300 177.300 175.390 1.910 25493 3419 1 8 . 1 1 37 37 SER CA C 37 61.900 61.900 60.221 1.679 25493 3420 1 8 . 1 1 37 37 SER CB C 37 63.100 63.100 62.961 0.139 25493 3421 1 8 . 1 1 37 37 SER H H 37 8.430 8.430 8.100 0.330 25493 3422 1 8 . 1 1 38 38 SER N N 38 117.200 117.200 116.458 0.742 25493 3423 1 8 . 1 1 38 38 SER HA H 38 4.290 4.290 4.462 -0.172 25493 3424 1 8 . 1 1 38 38 SER C C 38 176.700 176.700 176.429 0.271 25493 3425 1 8 . 1 1 38 38 SER CA C 38 62.500 62.500 61.210 1.290 25493 3426 1 8 . 1 1 38 38 SER CB C 38 63.100 63.100 63.884 -0.784 25493 3427 1 8 . 1 1 38 38 SER H H 38 8.200 8.200 7.496 0.704 25493 3428 1 8 . 1 1 39 39 LEU N N 39 121.600 121.600 122.619 -1.019 25493 3429 1 8 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.300 0.070 25493 3430 1 8 . 1 1 39 39 LEU C C 39 178.700 178.700 178.759 -0.059 25493 3431 1 8 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.275 -0.175 25493 3432 1 8 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.721 1.079 25493 3433 1 8 . 1 1 39 39 LEU H H 39 8.150 8.150 8.667 -0.517 25493 3434 1 8 . 1 1 40 40 GLU N N 40 118.600 118.600 119.404 -0.804 25493 3435 1 8 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.287 -0.387 25493 3436 1 8 . 1 1 40 40 GLU C C 40 178.100 178.100 176.930 1.170 25493 3437 1 8 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.541 0.159 25493 3438 1 8 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.181 1.119 25493 3439 1 8 . 1 1 40 40 GLU H H 40 8.190 8.190 8.479 -0.289 25493 3440 1 8 . 1 1 41 41 LYS N N 41 116.300 116.300 115.872 0.428 25493 3441 1 8 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.520 -0.290 25493 3442 1 8 . 1 1 41 41 LYS C C 41 175.800 175.800 175.389 0.411 25493 3443 1 8 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.465 1.135 25493 3444 1 8 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.072 0.528 25493 3445 1 8 . 1 1 41 41 LYS H H 41 7.440 7.440 7.630 -0.190 25493 3446 1 8 . 1 1 42 42 TYR N N 42 121.400 121.400 123.774 -2.374 25493 3447 1 8 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.822 0.038 25493 3448 1 8 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.370 0.030 25493 3449 1 8 . 1 1 42 42 TYR CB C 42 39.600 39.600 40.559 -0.960 25493 3450 1 8 . 1 1 42 42 TYR H H 42 7.730 7.730 7.886 -0.156 25493 3451 1 8 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.526 0.234 25493 3452 1 8 . 1 1 43 43 PRO C C 43 175.800 175.800 175.372 0.428 25493 3453 1 8 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.634 -0.134 25493 3454 1 8 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.738 -0.438 25493 3455 1 8 . 1 1 44 44 ILE N N 44 124.000 124.000 125.557 -1.557 25493 3456 1 8 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.058 0.412 25493 3457 1 8 . 1 1 44 44 ILE C C 44 174.300 174.300 176.074 -1.774 25493 3458 1 8 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.147 -0.847 25493 3459 1 8 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.752 2.948 25493 3460 1 8 . 1 1 44 44 ILE H H 44 8.200 8.200 7.856 0.344 25493 3461 1 8 . 1 1 45 45 THR N N 45 112.200 112.200 116.493 -4.293 25493 3462 1 8 . 1 1 45 45 THR HA H 45 4.530 4.530 4.685 -0.155 25493 3463 1 8 . 1 1 45 45 THR C C 45 175.100 175.100 174.805 0.295 25493 3464 1 8 . 1 1 45 45 THR CA C 45 59.800 59.800 59.870 -0.070 25493 3465 1 8 . 1 1 45 45 THR CB C 45 72.300 72.300 71.560 0.740 25493 3466 1 8 . 1 1 45 45 THR H H 45 7.330 7.330 7.856 -0.526 25493 3467 1 8 . 1 1 46 46 LYS N N 46 121.500 121.500 123.301 -1.801 25493 3468 1 8 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.881 -0.141 25493 3469 1 8 . 1 1 46 46 LYS C C 46 178.200 178.200 178.570 -0.370 25493 3470 1 8 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.387 0.613 25493 3471 1 8 . 1 1 46 46 LYS CB C 46 32.500 32.500 32.128 0.372 25493 3472 1 8 . 1 1 46 46 LYS H H 46 9.090 9.090 8.660 0.430 25493 3473 1 8 . 1 1 47 47 GLU N N 47 118.400 118.400 119.328 -0.928 25493 3474 1 8 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.062 -0.042 25493 3475 1 8 . 1 1 47 47 GLU C C 47 179.000 179.000 177.529 1.471 25493 3476 1 8 . 1 1 47 47 GLU CA C 47 60.800 60.800 58.760 2.040 25493 3477 1 8 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.365 -0.665 25493 3478 1 8 . 1 1 47 47 GLU H H 47 9.010 9.010 8.682 0.328 25493 3479 1 8 . 1 1 48 48 ALA N N 48 122.300 122.300 120.521 1.779 25493 3480 1 8 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.215 0.055 25493 3481 1 8 . 1 1 48 48 ALA C C 48 181.900 181.900 179.010 2.890 25493 3482 1 8 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.825 1.075 25493 3483 1 8 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.951 -1.151 25493 3484 1 8 . 1 1 48 48 ALA H H 48 7.860 7.860 7.668 0.192 25493 3485 1 8 . 1 1 49 49 LEU N N 49 122.200 122.200 121.657 0.543 25493 3486 1 8 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.037 -0.457 25493 3487 1 8 . 1 1 49 49 LEU C C 49 179.800 179.800 177.899 1.901 25493 3488 1 8 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.789 0.911 25493 3489 1 8 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.597 -0.297 25493 3490 1 8 . 1 1 49 49 LEU H H 49 8.260 8.260 8.010 0.250 25493 3491 1 8 . 1 1 50 50 GLU N N 50 120.400 120.400 116.960 3.440 25493 3492 1 8 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.067 -0.027 25493 3493 1 8 . 1 1 50 50 GLU C C 50 178.900 178.900 177.408 1.492 25493 3494 1 8 . 1 1 50 50 GLU CA C 50 59.200 59.200 58.062 1.138 25493 3495 1 8 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.373 -0.173 25493 3496 1 8 . 1 1 50 50 GLU H H 50 8.120 8.120 8.120 -0.000 25493 3497 1 8 . 1 1 51 51 GLU N N 51 118.500 118.500 118.661 -0.161 25493 3498 1 8 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.166 -0.116 25493 3499 1 8 . 1 1 51 51 GLU C C 51 178.800 178.800 178.252 0.548 25493 3500 1 8 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.279 0.921 25493 3501 1 8 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.934 0.365 25493 3502 1 8 . 1 1 51 51 GLU H H 51 8.200 8.200 8.298 -0.098 25493 3503 1 8 . 1 1 52 52 THR N N 52 104.700 104.700 110.788 -6.088 25493 3504 1 8 . 1 1 52 52 THR HA H 52 4.090 4.090 4.276 -0.186 25493 3505 1 8 . 1 1 52 52 THR C C 52 175.400 175.400 175.186 0.214 25493 3506 1 8 . 1 1 52 52 THR CA C 52 63.100 63.100 62.463 0.637 25493 3507 1 8 . 1 1 52 52 THR CB C 52 71.800 71.800 69.228 2.572 25493 3508 1 8 . 1 1 52 52 THR H H 52 7.840 7.840 8.140 -0.300 25493 3509 1 8 . 1 1 53 53 ARG N N 53 114.400 114.400 118.659 -4.259 25493 3510 1 8 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.964 0.146 25493 3511 1 8 . 1 1 53 53 ARG C C 53 177.200 177.200 175.702 1.498 25493 3512 1 8 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.744 0.556 25493 3513 1 8 . 1 1 53 53 ARG CB C 53 27.500 27.500 27.851 -0.351 25493 3514 1 8 . 1 1 53 53 ARG H H 53 7.680 7.680 7.485 0.195 25493 3515 1 8 . 1 1 54 54 LEU N N 54 117.200 117.200 119.590 -2.390 25493 3516 1 8 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.196 -0.386 25493 3517 1 8 . 1 1 54 54 LEU C C 54 178.200 178.200 177.660 0.540 25493 3518 1 8 . 1 1 54 54 LEU CA C 54 58.700 58.700 57.762 0.938 25493 3519 1 8 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.671 1.729 25493 3520 1 8 . 1 1 54 54 LEU H H 54 7.460 7.460 7.760 -0.300 25493 3521 1 8 . 1 1 55 55 GLY N N 55 105.900 105.900 105.524 0.376 25493 3522 1 8 . 1 1 55 55 GLY C C 55 175.500 175.500 175.812 -0.312 25493 3523 1 8 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.124 0.076 25493 3524 1 8 . 1 1 55 55 GLY H H 55 8.650 8.650 8.466 0.184 25493 3525 1 8 . 1 1 56 56 LYS N N 56 123.300 123.300 122.845 0.455 25493 3526 1 8 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.133 -0.023 25493 3527 1 8 . 1 1 56 56 LYS C C 56 178.300 178.300 178.731 -0.431 25493 3528 1 8 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.496 0.704 25493 3529 1 8 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.137 0.363 25493 3530 1 8 . 1 1 56 56 LYS H H 56 7.210 7.210 7.572 -0.362 25493 3531 1 8 . 1 1 57 57 LEU N N 57 117.700 117.700 119.315 -1.615 25493 3532 1 8 . 1 1 57 57 LEU HA H 57 4.180 4.180 3.997 0.183 25493 3533 1 8 . 1 1 57 57 LEU C C 57 179.600 179.600 179.233 0.367 25493 3534 1 8 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.997 -0.297 25493 3535 1 8 . 1 1 57 57 LEU CB C 57 43.400 43.400 41.713 1.687 25493 3536 1 8 . 1 1 57 57 LEU H H 57 7.900 7.900 7.575 0.325 25493 3537 1 8 . 1 1 58 58 ILE N N 58 116.600 116.600 117.225 -0.625 25493 3538 1 8 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.791 -0.111 25493 3539 1 8 . 1 1 58 58 ILE C C 58 177.900 177.900 178.102 -0.202 25493 3540 1 8 . 1 1 58 58 ILE CA C 58 63.100 63.100 62.740 0.359 25493 3541 1 8 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.691 -0.891 25493 3542 1 8 . 1 1 58 58 ILE H H 58 8.640 8.640 7.693 0.947 25493 3543 1 8 . 1 1 59 59 ASN N N 59 119.600 119.600 119.469 0.131 25493 3544 1 8 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.497 -0.127 25493 3545 1 8 . 1 1 59 59 ASN C C 59 176.700 176.700 176.543 0.157 25493 3546 1 8 . 1 1 59 59 ASN CA C 59 57.000 57.000 56.732 0.268 25493 3547 1 8 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.779 -0.279 25493 3548 1 8 . 1 1 59 59 ASN H H 59 8.120 8.120 8.320 -0.200 25493 3549 1 8 . 1 1 60 60 ASP N N 60 119.600 119.600 119.240 0.360 25493 3550 1 8 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.621 -0.241 25493 3551 1 8 . 1 1 60 60 ASP C C 60 179.400 179.400 178.234 1.166 25493 3552 1 8 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.771 0.829 25493 3553 1 8 . 1 1 60 60 ASP CB C 60 39.600 39.600 41.120 -1.520 25493 3554 1 8 . 1 1 60 60 ASP H H 60 8.490 8.490 7.913 0.577 25493 3555 1 8 . 1 1 61 61 VAL N N 61 118.700 118.700 121.327 -2.627 25493 3556 1 8 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.940 -0.190 25493 3557 1 8 . 1 1 61 61 VAL C C 61 179.000 179.000 176.925 2.075 25493 3558 1 8 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.466 0.334 25493 3559 1 8 . 1 1 61 61 VAL CB C 61 32.500 32.500 32.080 0.420 25493 3560 1 8 . 1 1 61 61 VAL H H 61 7.930 7.930 7.781 0.149 25493 3561 1 8 . 1 1 62 62 ARG N N 62 120.900 120.900 116.060 4.840 25493 3562 1 8 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.306 -0.656 25493 3563 1 8 . 1 1 62 62 ARG C C 62 177.100 177.100 176.776 0.324 25493 3564 1 8 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.192 1.008 25493 3565 1 8 . 1 1 62 62 ARG CB C 62 29.800 29.800 30.003 -0.204 25493 3566 1 8 . 1 1 62 62 ARG H H 62 8.620 8.620 7.591 1.029 25493 3567 1 8 . 1 1 63 63 LYS N N 63 115.700 115.700 117.357 -1.657 25493 3568 1 8 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.276 -0.346 25493 3569 1 8 . 1 1 63 63 LYS C C 63 177.600 177.600 177.704 -0.104 25493 3570 1 8 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.427 1.773 25493 3571 1 8 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.310 0.690 25493 3572 1 8 . 1 1 63 63 LYS H H 63 7.940 7.940 7.575 0.365 25493 3573 1 8 . 1 1 64 64 LYS N N 64 115.300 115.300 119.527 -4.227 25493 3574 1 8 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.321 0.109 25493 3575 1 8 . 1 1 64 64 LYS C C 64 176.900 176.900 176.806 0.094 25493 3576 1 8 . 1 1 64 64 LYS CA C 64 55.400 55.400 57.440 -2.040 25493 3577 1 8 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.601 0.499 25493 3578 1 8 . 1 1 64 64 LYS H H 64 7.130 7.130 7.689 -0.559 25493 3579 1 8 . 1 1 65 65 THR N N 65 113.500 113.500 112.794 0.706 25493 3580 1 8 . 1 1 65 65 THR HA H 65 4.520 4.520 4.555 -0.035 25493 3581 1 8 . 1 1 65 65 THR C C 65 173.200 173.200 172.044 1.156 25493 3582 1 8 . 1 1 65 65 THR CA C 65 62.000 62.000 61.269 0.731 25493 3583 1 8 . 1 1 65 65 THR CB C 65 69.600 69.600 70.604 -1.004 25493 3584 1 8 . 1 1 65 65 THR H H 65 7.250 7.250 7.993 -0.743 25493 3585 1 8 . 1 1 66 66 LYS N N 66 125.700 125.700 123.245 2.455 25493 3586 1 8 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.501 0.009 25493 3587 1 8 . 1 1 66 66 LYS C C 66 175.900 175.900 175.518 0.382 25493 3588 1 8 . 1 1 66 66 LYS CA C 66 55.400 55.400 55.127 0.273 25493 3589 1 8 . 1 1 66 66 LYS CB C 66 32.000 32.000 32.963 -0.963 25493 3590 1 8 . 1 1 66 66 LYS H H 66 8.500 8.500 8.473 0.027 25493 3591 1 8 . 1 1 67 67 ASN N N 67 122.100 122.100 124.267 -2.167 25493 3592 1 8 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.744 -0.054 25493 3593 1 8 . 1 1 67 67 ASN C C 67 174.400 174.400 175.335 -0.935 25493 3594 1 8 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.073 0.127 25493 3595 1 8 . 1 1 67 67 ASN CB C 67 39.000 39.000 39.915 -0.915 25493 3596 1 8 . 1 1 67 67 ASN H H 67 8.570 8.570 8.709 -0.139 25493 3597 1 8 . 1 1 68 68 GLU N N 68 128.400 128.400 120.139 8.261 25493 3598 1 8 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.191 -0.201 25493 3599 1 8 . 1 1 68 68 GLU C C 68 178.500 178.500 175.998 2.502 25493 3600 1 8 . 1 1 68 68 GLU CA C 68 59.300 59.300 58.738 0.562 25493 3601 1 8 . 1 1 68 68 GLU CB C 68 29.800 29.800 30.215 -0.415 25493 3602 1 8 . 1 1 68 68 GLU H H 68 8.850 8.850 8.533 0.317 25493 3603 1 8 . 1 1 69 69 GLU N N 69 120.300 120.300 116.380 3.920 25493 3604 1 8 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.373 -0.343 25493 3605 1 8 . 1 1 69 69 GLU C C 69 179.000 179.000 177.415 1.585 25493 3606 1 8 . 1 1 69 69 GLU CA C 69 59.200 59.200 56.937 2.263 25493 3607 1 8 . 1 1 69 69 GLU CB C 69 29.200 29.200 30.901 -1.701 25493 3608 1 8 . 1 1 69 69 GLU H H 69 8.190 8.190 8.400 -0.210 25493 3609 1 8 . 1 1 70 70 LEU N N 70 121.300 121.300 122.101 -0.801 25493 3610 1 8 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.092 -0.222 25493 3611 1 8 . 1 1 70 70 LEU C C 70 178.500 178.500 177.847 0.653 25493 3612 1 8 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.359 0.841 25493 3613 1 8 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.859 -1.159 25493 3614 1 8 . 1 1 70 70 LEU H H 70 8.120 8.120 8.447 -0.327 25493 3615 1 8 . 1 1 71 71 ALA N N 71 121.000 121.000 120.041 0.959 25493 3616 1 8 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.906 -0.166 25493 3617 1 8 . 1 1 71 71 ALA C C 71 180.100 180.100 178.261 1.839 25493 3618 1 8 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.091 1.409 25493 3619 1 8 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.572 -0.872 25493 3620 1 8 . 1 1 71 71 ALA H H 71 8.330 8.330 8.577 -0.247 25493 3621 1 8 . 1 1 72 72 LYS N N 72 118.200 118.200 115.085 3.115 25493 3622 1 8 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.428 -0.468 25493 3623 1 8 . 1 1 72 72 LYS C C 72 179.800 179.800 178.515 1.285 25493 3624 1 8 . 1 1 72 72 LYS CA C 72 59.800 59.800 57.669 2.131 25493 3625 1 8 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.312 0.188 25493 3626 1 8 . 1 1 72 72 LYS H H 72 8.150 8.150 7.663 0.487 25493 3627 1 8 . 1 1 73 73 ARG N N 73 120.600 120.600 121.428 -0.828 25493 3628 1 8 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.199 -0.209 25493 3629 1 8 . 1 1 73 73 ARG C C 73 180.100 180.100 178.484 1.616 25493 3630 1 8 . 1 1 73 73 ARG CA C 73 59.300 59.300 58.862 0.438 25493 3631 1 8 . 1 1 73 73 ARG CB C 73 32.000 32.000 29.922 2.078 25493 3632 1 8 . 1 1 73 73 ARG H H 73 8.140 8.140 8.449 -0.309 25493 3633 1 8 . 1 1 74 74 ALA N N 74 121.700 121.700 122.332 -0.632 25493 3634 1 8 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.205 -0.425 25493 3635 1 8 . 1 1 74 74 ALA C C 74 178.100 178.100 178.485 -0.385 25493 3636 1 8 . 1 1 74 74 ALA CA C 74 54.900 54.900 54.572 0.328 25493 3637 1 8 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.424 -1.224 25493 3638 1 8 . 1 1 74 74 ALA H H 74 8.970 8.970 8.173 0.797 25493 3639 1 8 . 1 1 75 75 LYS N N 75 117.900 117.900 117.791 0.109 25493 3640 1 8 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.269 -0.529 25493 3641 1 8 . 1 1 75 75 LYS C C 75 178.300 178.300 178.252 0.048 25493 3642 1 8 . 1 1 75 75 LYS CA C 75 60.300 60.300 57.464 2.836 25493 3643 1 8 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.980 -0.480 25493 3644 1 8 . 1 1 75 75 LYS H H 75 8.200 8.200 7.770 0.430 25493 3645 1 8 . 1 1 76 76 LYS N N 76 118.800 118.800 120.107 -1.307 25493 3646 1 8 . 1 1 76 76 LYS HA H 76 3.890 3.890 3.936 -0.046 25493 3647 1 8 . 1 1 76 76 LYS C C 76 179.200 179.200 178.235 0.965 25493 3648 1 8 . 1 1 76 76 LYS CA C 76 59.800 59.800 59.533 0.267 25493 3649 1 8 . 1 1 76 76 LYS CB C 76 32.400 32.400 32.501 -0.101 25493 3650 1 8 . 1 1 76 76 LYS H H 76 7.630 7.630 7.736 -0.106 25493 3651 1 8 . 1 1 77 77 LEU N N 77 121.400 121.400 118.605 2.795 25493 3652 1 8 . 1 1 77 77 LEU HA H 77 3.630 3.630 3.975 -0.345 25493 3653 1 8 . 1 1 77 77 LEU C C 77 178.200 178.200 178.688 -0.488 25493 3654 1 8 . 1 1 77 77 LEU CA C 77 57.600 57.600 56.824 0.776 25493 3655 1 8 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.124 -0.324 25493 3656 1 8 . 1 1 77 77 LEU H H 77 7.430 7.430 7.658 -0.228 25493 3657 1 8 . 1 1 78 78 LEU N N 78 117.600 117.600 120.591 -2.991 25493 3658 1 8 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.676 0.084 25493 3659 1 8 . 1 1 78 78 LEU C C 78 180.300 180.300 178.743 1.557 25493 3660 1 8 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.927 0.173 25493 3661 1 8 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.809 0.392 25493 3662 1 8 . 1 1 78 78 LEU H H 78 7.960 7.960 7.504 0.456 25493 3663 1 8 . 1 1 79 79 ARG N N 79 119.800 119.800 115.850 3.950 25493 3664 1 8 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.937 0.173 25493 3665 1 8 . 1 1 79 79 ARG C C 79 179.500 179.500 178.083 1.417 25493 3666 1 8 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.263 0.937 25493 3667 1 8 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.509 0.192 25493 3668 1 8 . 1 1 79 79 ARG H H 79 8.110 8.110 7.761 0.349 25493 3669 1 8 . 1 1 80 80 SER N N 80 117.800 117.800 113.766 4.034 25493 3670 1 8 . 1 1 80 80 SER HA H 80 4.310 4.310 4.185 0.125 25493 3671 1 8 . 1 1 80 80 SER C C 80 177.000 177.000 174.927 2.073 25493 3672 1 8 . 1 1 80 80 SER CA C 80 61.500 61.500 59.764 1.736 25493 3673 1 8 . 1 1 80 80 SER CB C 80 62.500 62.500 63.199 -0.699 25493 3674 1 8 . 1 1 80 80 SER H H 80 7.870 7.870 7.209 0.661 25493 3675 1 8 . 1 1 81 81 TRP N N 81 123.300 123.300 117.248 6.052 25493 3676 1 8 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.048 -0.238 25493 3677 1 8 . 1 1 81 81 TRP C C 81 178.200 178.200 177.445 0.755 25493 3678 1 8 . 1 1 81 81 TRP CA C 81 56.500 56.500 56.026 0.474 25493 3679 1 8 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.946 0.254 25493 3680 1 8 . 1 1 81 81 TRP H H 81 8.010 8.010 7.282 0.728 25493 3681 1 8 . 1 1 82 82 GLN N N 82 120.400 120.400 122.646 -2.246 25493 3682 1 8 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.051 0.029 25493 3683 1 8 . 1 1 82 82 GLN C C 82 177.600 177.600 177.300 0.300 25493 3684 1 8 . 1 1 82 82 GLN CA C 82 59.200 59.200 59.678 -0.478 25493 3685 1 8 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.381 -0.181 25493 3686 1 8 . 1 1 82 82 GLN H H 82 8.080 8.080 8.316 -0.236 25493 3687 1 8 . 1 1 83 83 LYS N N 83 115.600 115.600 118.633 -3.033 25493 3688 1 8 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.094 0.126 25493 3689 1 8 . 1 1 83 83 LYS C C 83 177.400 177.400 177.544 -0.144 25493 3690 1 8 . 1 1 83 83 LYS CA C 83 57.600 57.600 58.808 -1.208 25493 3691 1 8 . 1 1 83 83 LYS CB C 83 32.500 32.500 31.876 0.624 25493 3692 1 8 . 1 1 83 83 LYS H H 83 7.770 7.770 8.392 -0.622 25493 3693 1 8 . 1 1 84 84 LEU N N 84 117.900 117.900 117.813 0.087 25493 3694 1 8 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.435 -0.155 25493 3695 1 8 . 1 1 84 84 LEU C C 84 177.500 177.500 178.214 -0.714 25493 3696 1 8 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.959 0.041 25493 3697 1 8 . 1 1 84 84 LEU CB C 84 42.900 42.900 43.459 -0.559 25493 3698 1 8 . 1 1 84 84 LEU H H 84 7.670 7.670 8.009 -0.339 25493 3699 1 8 . 1 1 85 85 ILE N N 85 115.400 115.400 112.302 3.098 25493 3700 1 8 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.489 -0.359 25493 3701 1 8 . 1 1 85 85 ILE C C 85 175.100 175.100 176.144 -1.044 25493 3702 1 8 . 1 1 85 85 ILE CA C 85 61.400 61.400 61.788 -0.388 25493 3703 1 8 . 1 1 85 85 ILE CB C 85 39.600 39.600 39.837 -0.237 25493 3704 1 8 . 1 1 85 85 ILE H H 85 7.490 7.490 7.652 -0.162 25493 3705 1 9 . 1 1 7 7 ALA N N 7 123.700 123.700 122.667 1.033 25493 3706 1 9 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.418 0.002 25493 3707 1 9 . 1 1 7 7 ALA C C 7 176.700 176.700 175.401 1.299 25493 3708 1 9 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.712 -0.112 25493 3709 1 9 . 1 1 7 7 ALA CB C 7 19.900 19.900 21.028 -1.128 25493 3710 1 9 . 1 1 7 7 ALA H H 7 8.040 8.040 7.901 0.139 25493 3711 1 9 . 1 1 8 8 SER N N 8 117.100 117.100 116.484 0.616 25493 3712 1 9 . 1 1 8 8 SER HA H 8 4.750 4.750 4.176 0.574 25493 3713 1 9 . 1 1 8 8 SER CA C 8 56.000 56.000 56.716 -0.716 25493 3714 1 9 . 1 1 8 8 SER CB C 8 63.300 63.300 63.405 -0.105 25493 3715 1 9 . 1 1 8 8 SER H H 8 8.430 8.430 8.251 0.179 25493 3716 1 9 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.907 0.033 25493 3717 1 9 . 1 1 9 9 PRO C C 9 177.400 177.400 178.411 -1.011 25493 3718 1 9 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.511 0.289 25493 3719 1 9 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.729 0.271 25493 3720 1 9 . 1 1 10 10 GLN N N 10 116.000 116.000 116.318 -0.318 25493 3721 1 9 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.007 -0.347 25493 3722 1 9 . 1 1 10 10 GLN C C 10 177.500 177.500 178.206 -0.706 25493 3723 1 9 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.576 0.724 25493 3724 1 9 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.974 -0.474 25493 3725 1 9 . 1 1 10 10 GLN H H 10 8.350 8.350 8.447 -0.097 25493 3726 1 9 . 1 1 11 11 GLN N N 11 119.200 119.200 118.707 0.493 25493 3727 1 9 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.110 -0.030 25493 3728 1 9 . 1 1 11 11 GLN C C 11 179.600 179.600 178.239 1.361 25493 3729 1 9 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.379 0.521 25493 3730 1 9 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.640 -0.040 25493 3731 1 9 . 1 1 11 11 GLN H H 11 7.680 7.680 7.664 0.016 25493 3732 1 9 . 1 1 12 12 ILE N N 12 121.300 121.300 114.776 6.524 25493 3733 1 9 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.865 -0.335 25493 3734 1 9 . 1 1 12 12 ILE C C 12 177.200 177.200 177.291 -0.091 25493 3735 1 9 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.737 1.563 25493 3736 1 9 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.061 0.339 25493 3737 1 9 . 1 1 12 12 ILE H H 12 8.190 8.190 8.122 0.068 25493 3738 1 9 . 1 1 13 13 ARG N N 13 120.200 120.200 122.207 -2.007 25493 3739 1 9 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.894 -0.154 25493 3740 1 9 . 1 1 13 13 ARG C C 13 177.700 177.700 177.880 -0.180 25493 3741 1 9 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.983 0.317 25493 3742 1 9 . 1 1 13 13 ARG CB C 13 28.200 28.200 30.024 -1.825 25493 3743 1 9 . 1 1 13 13 ARG H H 13 8.320 8.320 8.104 0.216 25493 3744 1 9 . 1 1 14 14 ASP N N 14 119.200 119.200 117.677 1.523 25493 3745 1 9 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.576 -0.246 25493 3746 1 9 . 1 1 14 14 ASP C C 14 178.800 178.800 176.734 2.066 25493 3747 1 9 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.835 2.165 25493 3748 1 9 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.115 -0.515 25493 3749 1 9 . 1 1 14 14 ASP H H 14 8.280 8.280 8.059 0.221 25493 3750 1 9 . 1 1 15 15 ARG N N 15 120.400 120.400 118.479 1.921 25493 3751 1 9 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.390 -0.420 25493 3752 1 9 . 1 1 15 15 ARG C C 15 179.300 179.300 177.148 2.152 25493 3753 1 9 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.349 2.851 25493 3754 1 9 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.816 -1.816 25493 3755 1 9 . 1 1 15 15 ARG H H 15 7.980 7.980 7.507 0.473 25493 3756 1 9 . 1 1 16 16 LEU N N 16 120.500 120.500 120.632 -0.132 25493 3757 1 9 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.317 -0.347 25493 3758 1 9 . 1 1 16 16 LEU C C 16 178.500 178.500 177.515 0.985 25493 3759 1 9 . 1 1 16 16 LEU CA C 16 58.100 58.100 58.097 0.003 25493 3760 1 9 . 1 1 16 16 LEU CB C 16 41.200 41.200 42.271 -1.071 25493 3761 1 9 . 1 1 16 16 LEU H H 16 8.210 8.210 8.395 -0.185 25493 3762 1 9 . 1 1 17 17 LEU N N 17 116.100 116.100 119.180 -3.080 25493 3763 1 9 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.089 -0.089 25493 3764 1 9 . 1 1 17 17 LEU C C 17 179.400 179.400 178.543 0.857 25493 3765 1 9 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.524 0.076 25493 3766 1 9 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.434 0.266 25493 3767 1 9 . 1 1 17 17 LEU H H 17 8.310 8.310 8.381 -0.071 25493 3768 1 9 . 1 1 18 18 GLN N N 18 114.300 114.300 114.164 0.136 25493 3769 1 9 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.180 0.060 25493 3770 1 9 . 1 1 18 18 GLN C C 18 176.700 176.700 176.849 -0.149 25493 3771 1 9 . 1 1 18 18 GLN CA C 18 57.000 57.000 56.552 0.448 25493 3772 1 9 . 1 1 18 18 GLN CB C 18 28.800 28.800 28.351 0.449 25493 3773 1 9 . 1 1 18 18 GLN H H 18 7.460 7.460 7.872 -0.412 25493 3774 1 9 . 1 1 19 19 ALA N N 19 120.800 120.800 120.735 0.065 25493 3775 1 9 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.228 0.262 25493 3776 1 9 . 1 1 19 19 ALA C C 19 176.000 176.000 177.605 -1.605 25493 3777 1 9 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.781 -1.181 25493 3778 1 9 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.591 2.509 25493 3779 1 9 . 1 1 19 19 ALA H H 19 7.770 7.770 7.421 0.349 25493 3780 1 9 . 1 1 20 20 ILE N N 20 113.500 113.500 111.950 1.550 25493 3781 1 9 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.674 0.526 25493 3782 1 9 . 1 1 20 20 ILE C C 20 173.600 173.600 174.661 -1.061 25493 3783 1 9 . 1 1 20 20 ILE CA C 20 59.200 59.200 58.965 0.235 25493 3784 1 9 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.737 2.063 25493 3785 1 9 . 1 1 20 20 ILE H H 20 7.360 7.360 7.414 -0.054 25493 3786 1 9 . 1 1 21 21 ASP N N 21 122.500 122.500 119.165 3.335 25493 3787 1 9 . 1 1 21 21 ASP HA H 21 4.980 4.980 4.852 0.128 25493 3788 1 9 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.600 0.500 25493 3789 1 9 . 1 1 21 21 ASP CB C 21 41.200 41.200 40.580 0.620 25493 3790 1 9 . 1 1 21 21 ASP H H 21 8.530 8.530 8.371 0.159 25493 3791 1 9 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.372 0.078 25493 3792 1 9 . 1 1 22 22 PRO C C 22 177.500 177.500 176.082 1.418 25493 3793 1 9 . 1 1 22 22 PRO CA C 22 65.200 65.200 64.364 0.836 25493 3794 1 9 . 1 1 22 22 PRO CB C 22 31.900 31.900 31.632 0.268 25493 3795 1 9 . 1 1 23 23 GLN N N 23 115.900 115.900 116.092 -0.192 25493 3796 1 9 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.599 -0.179 25493 3797 1 9 . 1 1 23 23 GLN C C 23 174.800 174.800 175.642 -0.842 25493 3798 1 9 . 1 1 23 23 GLN CA C 23 55.400 55.400 56.293 -0.893 25493 3799 1 9 . 1 1 23 23 GLN CB C 23 28.700 28.700 31.787 -3.087 25493 3800 1 9 . 1 1 23 23 GLN H H 23 7.950 7.950 8.243 -0.293 25493 3801 1 9 . 1 1 24 24 SER N N 24 107.900 107.900 108.729 -0.829 25493 3802 1 9 . 1 1 24 24 SER HA H 24 3.730 3.730 4.691 -0.961 25493 3803 1 9 . 1 1 24 24 SER C C 24 173.200 173.200 174.219 -1.019 25493 3804 1 9 . 1 1 24 24 SER CA C 24 60.300 60.300 57.746 2.554 25493 3805 1 9 . 1 1 24 24 SER CB C 24 60.300 60.300 64.930 -4.630 25493 3806 1 9 . 1 1 24 24 SER H H 24 8.270 8.270 7.930 0.340 25493 3807 1 9 . 1 1 25 25 ASN N N 25 117.000 117.000 122.432 -5.432 25493 3808 1 9 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.766 -0.236 25493 3809 1 9 . 1 1 25 25 ASN C C 25 175.600 175.600 174.737 0.863 25493 3810 1 9 . 1 1 25 25 ASN CA C 25 52.800 52.800 54.031 -1.231 25493 3811 1 9 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.258 -0.758 25493 3812 1 9 . 1 1 25 25 ASN H H 25 8.500 8.500 8.299 0.201 25493 3813 1 9 . 1 1 26 26 ILE N N 26 122.400 122.400 118.757 3.643 25493 3814 1 9 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.317 -0.497 25493 3815 1 9 . 1 1 26 26 ILE C C 26 176.400 176.400 177.080 -0.680 25493 3816 1 9 . 1 1 26 26 ILE CA C 26 63.600 63.600 62.086 1.514 25493 3817 1 9 . 1 1 26 26 ILE CB C 26 38.600 38.600 38.421 0.179 25493 3818 1 9 . 1 1 26 26 ILE H H 26 8.890 8.890 8.303 0.587 25493 3819 1 9 . 1 1 27 27 ARG N N 27 127.600 127.600 118.494 9.106 25493 3820 1 9 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.935 0.595 25493 3821 1 9 . 1 1 27 27 ARG C C 27 176.000 176.000 176.385 -0.385 25493 3822 1 9 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.982 -2.482 25493 3823 1 9 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.769 2.631 25493 3824 1 9 . 1 1 27 27 ARG H H 27 9.070 9.070 8.688 0.382 25493 3825 1 9 . 1 1 28 28 ASN N N 28 117.300 117.300 117.752 -0.452 25493 3826 1 9 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.988 -0.058 25493 3827 1 9 . 1 1 28 28 ASN C C 28 174.300 174.300 175.332 -1.032 25493 3828 1 9 . 1 1 28 28 ASN CA C 28 51.600 51.600 52.073 -0.473 25493 3829 1 9 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.978 0.022 25493 3830 1 9 . 1 1 28 28 ASN H H 28 7.510 7.510 8.331 -0.821 25493 3831 1 9 . 1 1 29 29 MET N N 29 125.700 125.700 122.323 3.377 25493 3832 1 9 . 1 1 29 29 MET HA H 29 4.190 4.190 4.139 0.051 25493 3833 1 9 . 1 1 29 29 MET C C 29 177.300 177.300 176.980 0.320 25493 3834 1 9 . 1 1 29 29 MET CA C 29 57.600 57.600 59.199 -1.599 25493 3835 1 9 . 1 1 29 29 MET CB C 29 31.400 31.400 32.766 -1.366 25493 3836 1 9 . 1 1 29 29 MET H H 29 8.940 8.940 8.624 0.316 25493 3837 1 9 . 1 1 30 30 VAL N N 30 118.600 118.600 115.043 3.557 25493 3838 1 9 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.803 -0.283 25493 3839 1 9 . 1 1 30 30 VAL C C 30 178.800 178.800 177.089 1.711 25493 3840 1 9 . 1 1 30 30 VAL CA C 30 66.900 66.900 64.857 2.043 25493 3841 1 9 . 1 1 30 30 VAL CB C 30 31.500 31.500 30.828 0.672 25493 3842 1 9 . 1 1 30 30 VAL H H 30 7.910 7.910 7.806 0.104 25493 3843 1 9 . 1 1 31 31 ALA N N 31 120.600 120.600 121.974 -1.374 25493 3844 1 9 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.243 -0.113 25493 3845 1 9 . 1 1 31 31 ALA C C 31 180.300 180.300 179.288 1.012 25493 3846 1 9 . 1 1 31 31 ALA CA C 31 54.300 54.300 55.000 -0.700 25493 3847 1 9 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.503 0.397 25493 3848 1 9 . 1 1 31 31 ALA H H 31 7.270 7.270 8.155 -0.885 25493 3849 1 9 . 1 1 32 32 VAL N N 32 117.900 117.900 117.800 0.100 25493 3850 1 9 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.946 -0.566 25493 3851 1 9 . 1 1 32 32 VAL C C 32 177.700 177.700 176.669 1.031 25493 3852 1 9 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.110 3.590 25493 3853 1 9 . 1 1 32 32 VAL CB C 32 30.900 30.900 31.715 -0.815 25493 3854 1 9 . 1 1 32 32 VAL H H 32 7.640 7.640 7.502 0.138 25493 3855 1 9 . 1 1 33 33 LEU N N 33 119.900 119.900 120.309 -0.409 25493 3856 1 9 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.278 -0.368 25493 3857 1 9 . 1 1 33 33 LEU C C 33 179.900 179.900 178.346 1.554 25493 3858 1 9 . 1 1 33 33 LEU CA C 33 58.300 58.300 56.958 1.343 25493 3859 1 9 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.618 -0.918 25493 3860 1 9 . 1 1 33 33 LEU H H 33 8.450 8.450 7.913 0.537 25493 3861 1 9 . 1 1 34 34 GLU N N 34 121.200 121.200 120.888 0.312 25493 3862 1 9 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.021 0.039 25493 3863 1 9 . 1 1 34 34 GLU C C 34 179.800 179.800 179.105 0.695 25493 3864 1 9 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.796 0.004 25493 3865 1 9 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.595 -0.295 25493 3866 1 9 . 1 1 34 34 GLU H H 34 8.080 8.080 7.688 0.392 25493 3867 1 9 . 1 1 35 35 VAL N N 35 122.400 122.400 119.817 2.583 25493 3868 1 9 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.872 -0.272 25493 3869 1 9 . 1 1 35 35 VAL C C 35 177.900 177.900 177.197 0.703 25493 3870 1 9 . 1 1 35 35 VAL CA C 35 67.100 67.100 65.724 1.376 25493 3871 1 9 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.519 -0.619 25493 3872 1 9 . 1 1 35 35 VAL H H 35 8.060 8.060 7.465 0.595 25493 3873 1 9 . 1 1 36 36 ILE N N 36 119.800 119.800 119.693 0.107 25493 3874 1 9 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.911 -0.351 25493 3875 1 9 . 1 1 36 36 ILE C C 36 177.500 177.500 178.414 -0.914 25493 3876 1 9 . 1 1 36 36 ILE CA C 36 64.200 64.200 63.952 0.248 25493 3877 1 9 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.442 -0.142 25493 3878 1 9 . 1 1 36 36 ILE H H 36 8.420 8.420 7.254 1.166 25493 3879 1 9 . 1 1 37 37 SER N N 37 114.700 114.700 114.184 0.516 25493 3880 1 9 . 1 1 37 37 SER HA H 37 4.290 4.290 4.236 0.054 25493 3881 1 9 . 1 1 37 37 SER C C 37 177.300 177.300 175.696 1.604 25493 3882 1 9 . 1 1 37 37 SER CA C 37 61.900 61.900 60.524 1.376 25493 3883 1 9 . 1 1 37 37 SER CB C 37 63.100 63.100 63.165 -0.065 25493 3884 1 9 . 1 1 37 37 SER H H 37 8.430 8.430 8.039 0.391 25493 3885 1 9 . 1 1 38 38 SER N N 38 117.200 117.200 116.183 1.017 25493 3886 1 9 . 1 1 38 38 SER HA H 38 4.290 4.290 4.461 -0.171 25493 3887 1 9 . 1 1 38 38 SER C C 38 176.700 176.700 175.805 0.895 25493 3888 1 9 . 1 1 38 38 SER CA C 38 62.500 62.500 61.445 1.055 25493 3889 1 9 . 1 1 38 38 SER CB C 38 63.100 63.100 63.738 -0.638 25493 3890 1 9 . 1 1 38 38 SER H H 38 8.200 8.200 7.339 0.861 25493 3891 1 9 . 1 1 39 39 LEU N N 39 121.600 121.600 121.119 0.481 25493 3892 1 9 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.297 0.073 25493 3893 1 9 . 1 1 39 39 LEU C C 39 178.700 178.700 177.830 0.870 25493 3894 1 9 . 1 1 39 39 LEU CA C 39 57.100 57.100 56.737 0.363 25493 3895 1 9 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.983 0.817 25493 3896 1 9 . 1 1 39 39 LEU H H 39 8.150 8.150 8.310 -0.160 25493 3897 1 9 . 1 1 40 40 GLU N N 40 118.600 118.600 116.652 1.948 25493 3898 1 9 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.203 -0.303 25493 3899 1 9 . 1 1 40 40 GLU C C 40 178.100 178.100 177.433 0.667 25493 3900 1 9 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.410 0.290 25493 3901 1 9 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.434 0.866 25493 3902 1 9 . 1 1 40 40 GLU H H 40 8.190 8.190 8.082 0.108 25493 3903 1 9 . 1 1 41 41 LYS N N 41 116.300 116.300 115.923 0.377 25493 3904 1 9 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.365 -0.135 25493 3905 1 9 . 1 1 41 41 LYS C C 41 175.800 175.800 176.716 -0.916 25493 3906 1 9 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.980 0.620 25493 3907 1 9 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.265 0.335 25493 3908 1 9 . 1 1 41 41 LYS H H 41 7.440 7.440 7.549 -0.109 25493 3909 1 9 . 1 1 42 42 TYR N N 42 121.400 121.400 125.374 -3.974 25493 3910 1 9 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.713 0.147 25493 3911 1 9 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.677 -0.277 25493 3912 1 9 . 1 1 42 42 TYR CB C 42 39.600 39.600 39.235 0.365 25493 3913 1 9 . 1 1 42 42 TYR H H 42 7.730 7.730 7.916 -0.186 25493 3914 1 9 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.536 0.224 25493 3915 1 9 . 1 1 43 43 PRO C C 43 175.800 175.800 175.588 0.212 25493 3916 1 9 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.428 0.072 25493 3917 1 9 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.700 -0.400 25493 3918 1 9 . 1 1 44 44 ILE N N 44 124.000 124.000 125.236 -1.236 25493 3919 1 9 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.055 0.415 25493 3920 1 9 . 1 1 44 44 ILE C C 44 174.300 174.300 176.128 -1.828 25493 3921 1 9 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.525 -1.225 25493 3922 1 9 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.782 2.918 25493 3923 1 9 . 1 1 44 44 ILE H H 44 8.200 8.200 7.875 0.325 25493 3924 1 9 . 1 1 45 45 THR N N 45 112.200 112.200 117.786 -5.586 25493 3925 1 9 . 1 1 45 45 THR HA H 45 4.530 4.530 4.692 -0.162 25493 3926 1 9 . 1 1 45 45 THR C C 45 175.100 175.100 175.109 -0.009 25493 3927 1 9 . 1 1 45 45 THR CA C 45 59.800 59.800 59.791 0.009 25493 3928 1 9 . 1 1 45 45 THR CB C 45 72.300 72.300 71.501 0.799 25493 3929 1 9 . 1 1 45 45 THR H H 45 7.330 7.330 7.842 -0.512 25493 3930 1 9 . 1 1 46 46 LYS N N 46 121.500 121.500 124.283 -2.783 25493 3931 1 9 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.871 -0.131 25493 3932 1 9 . 1 1 46 46 LYS C C 46 178.200 178.200 178.394 -0.194 25493 3933 1 9 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.525 0.475 25493 3934 1 9 . 1 1 46 46 LYS CB C 46 32.500 32.500 32.058 0.442 25493 3935 1 9 . 1 1 46 46 LYS H H 46 9.090 9.090 8.771 0.319 25493 3936 1 9 . 1 1 47 47 GLU N N 47 118.400 118.400 118.798 -0.398 25493 3937 1 9 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.074 -0.054 25493 3938 1 9 . 1 1 47 47 GLU C C 47 179.000 179.000 177.481 1.519 25493 3939 1 9 . 1 1 47 47 GLU CA C 47 60.800 60.800 59.099 1.700 25493 3940 1 9 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.323 -0.623 25493 3941 1 9 . 1 1 47 47 GLU H H 47 9.010 9.010 8.725 0.285 25493 3942 1 9 . 1 1 48 48 ALA N N 48 122.300 122.300 120.248 2.052 25493 3943 1 9 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.408 -0.138 25493 3944 1 9 . 1 1 48 48 ALA C C 48 181.900 181.900 179.384 2.516 25493 3945 1 9 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.609 1.291 25493 3946 1 9 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.540 -0.740 25493 3947 1 9 . 1 1 48 48 ALA H H 48 7.860 7.860 7.480 0.380 25493 3948 1 9 . 1 1 49 49 LEU N N 49 122.200 122.200 122.086 0.114 25493 3949 1 9 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.030 -0.450 25493 3950 1 9 . 1 1 49 49 LEU C C 49 179.800 179.800 178.097 1.703 25493 3951 1 9 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.761 0.939 25493 3952 1 9 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.457 -0.157 25493 3953 1 9 . 1 1 49 49 LEU H H 49 8.260 8.260 7.940 0.320 25493 3954 1 9 . 1 1 50 50 GLU N N 50 120.400 120.400 117.311 3.089 25493 3955 1 9 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.004 0.036 25493 3956 1 9 . 1 1 50 50 GLU C C 50 178.900 178.900 178.693 0.207 25493 3957 1 9 . 1 1 50 50 GLU CA C 50 59.200 59.200 58.971 0.229 25493 3958 1 9 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.101 0.099 25493 3959 1 9 . 1 1 50 50 GLU H H 50 8.120 8.120 8.212 -0.092 25493 3960 1 9 . 1 1 51 51 GLU N N 51 118.500 118.500 119.368 -0.868 25493 3961 1 9 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.126 -0.076 25493 3962 1 9 . 1 1 51 51 GLU C C 51 178.800 178.800 177.941 0.859 25493 3963 1 9 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.595 0.605 25493 3964 1 9 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.505 0.795 25493 3965 1 9 . 1 1 51 51 GLU H H 51 8.200 8.200 8.392 -0.192 25493 3966 1 9 . 1 1 52 52 THR N N 52 104.700 104.700 110.292 -5.592 25493 3967 1 9 . 1 1 52 52 THR HA H 52 4.090 4.090 4.290 -0.200 25493 3968 1 9 . 1 1 52 52 THR C C 52 175.400 175.400 175.202 0.198 25493 3969 1 9 . 1 1 52 52 THR CA C 52 63.100 63.100 62.207 0.893 25493 3970 1 9 . 1 1 52 52 THR CB C 52 71.800 71.800 69.126 2.674 25493 3971 1 9 . 1 1 52 52 THR H H 52 7.840 7.840 8.058 -0.218 25493 3972 1 9 . 1 1 53 53 ARG N N 53 114.400 114.400 119.076 -4.676 25493 3973 1 9 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.947 0.163 25493 3974 1 9 . 1 1 53 53 ARG C C 53 177.200 177.200 176.080 1.120 25493 3975 1 9 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.589 0.711 25493 3976 1 9 . 1 1 53 53 ARG CB C 53 27.500 27.500 27.698 -0.198 25493 3977 1 9 . 1 1 53 53 ARG H H 53 7.680 7.680 7.508 0.172 25493 3978 1 9 . 1 1 54 54 LEU N N 54 117.200 117.200 118.692 -1.492 25493 3979 1 9 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.079 -0.269 25493 3980 1 9 . 1 1 54 54 LEU C C 54 178.200 178.200 178.283 -0.083 25493 3981 1 9 . 1 1 54 54 LEU CA C 54 58.700 58.700 57.772 0.928 25493 3982 1 9 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.447 1.952 25493 3983 1 9 . 1 1 54 54 LEU H H 54 7.460 7.460 7.609 -0.149 25493 3984 1 9 . 1 1 55 55 GLY N N 55 105.900 105.900 106.389 -0.489 25493 3985 1 9 . 1 1 55 55 GLY C C 55 175.500 175.500 175.625 -0.125 25493 3986 1 9 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.137 0.063 25493 3987 1 9 . 1 1 55 55 GLY H H 55 8.650 8.650 8.508 0.142 25493 3988 1 9 . 1 1 56 56 LYS N N 56 123.300 123.300 121.009 2.291 25493 3989 1 9 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.140 -0.030 25493 3990 1 9 . 1 1 56 56 LYS C C 56 178.300 178.300 178.002 0.298 25493 3991 1 9 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.468 0.732 25493 3992 1 9 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.400 0.100 25493 3993 1 9 . 1 1 56 56 LYS H H 56 7.210 7.210 7.484 -0.274 25493 3994 1 9 . 1 1 57 57 LEU N N 57 117.700 117.700 120.663 -2.963 25493 3995 1 9 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.155 0.025 25493 3996 1 9 . 1 1 57 57 LEU C C 57 179.600 179.600 178.219 1.381 25493 3997 1 9 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.531 0.169 25493 3998 1 9 . 1 1 57 57 LEU CB C 57 43.400 43.400 42.501 0.899 25493 3999 1 9 . 1 1 57 57 LEU H H 57 7.900 7.900 7.487 0.413 25493 4000 1 9 . 1 1 58 58 ILE N N 58 116.600 116.600 119.071 -2.471 25493 4001 1 9 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.815 -0.135 25493 4002 1 9 . 1 1 58 58 ILE C C 58 177.900 177.900 177.509 0.391 25493 4003 1 9 . 1 1 58 58 ILE CA C 58 63.100 63.100 63.590 -0.490 25493 4004 1 9 . 1 1 58 58 ILE CB C 58 35.800 35.800 37.056 -1.256 25493 4005 1 9 . 1 1 58 58 ILE H H 58 8.640 8.640 8.063 0.577 25493 4006 1 9 . 1 1 59 59 ASN N N 59 119.600 119.600 117.405 2.195 25493 4007 1 9 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.687 -0.317 25493 4008 1 9 . 1 1 59 59 ASN C C 59 176.700 176.700 175.225 1.475 25493 4009 1 9 . 1 1 59 59 ASN CA C 59 57.000 57.000 54.747 2.253 25493 4010 1 9 . 1 1 59 59 ASN CB C 59 38.500 38.500 37.779 0.721 25493 4011 1 9 . 1 1 59 59 ASN H H 59 8.120 8.120 8.679 -0.559 25493 4012 1 9 . 1 1 60 60 ASP N N 60 119.600 119.600 119.763 -0.163 25493 4013 1 9 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.741 -0.361 25493 4014 1 9 . 1 1 60 60 ASP C C 60 179.400 179.400 178.604 0.796 25493 4015 1 9 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.404 1.196 25493 4016 1 9 . 1 1 60 60 ASP CB C 60 39.600 39.600 43.028 -3.428 25493 4017 1 9 . 1 1 60 60 ASP H H 60 8.490 8.490 7.495 0.995 25493 4018 1 9 . 1 1 61 61 VAL N N 61 118.700 118.700 123.920 -5.220 25493 4019 1 9 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.903 -0.153 25493 4020 1 9 . 1 1 61 61 VAL C C 61 179.000 179.000 176.576 2.424 25493 4021 1 9 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.078 0.722 25493 4022 1 9 . 1 1 61 61 VAL CB C 61 32.500 32.500 32.283 0.217 25493 4023 1 9 . 1 1 61 61 VAL H H 61 7.930 7.930 8.298 -0.368 25493 4024 1 9 . 1 1 62 62 ARG N N 62 120.900 120.900 118.080 2.820 25493 4025 1 9 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.121 -0.471 25493 4026 1 9 . 1 1 62 62 ARG C C 62 177.100 177.100 176.940 0.160 25493 4027 1 9 . 1 1 62 62 ARG CA C 62 59.200 59.200 57.846 1.354 25493 4028 1 9 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.793 0.007 25493 4029 1 9 . 1 1 62 62 ARG H H 62 8.620 8.620 7.782 0.838 25493 4030 1 9 . 1 1 63 63 LYS N N 63 115.700 115.700 117.048 -1.348 25493 4031 1 9 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.322 -0.392 25493 4032 1 9 . 1 1 63 63 LYS C C 63 177.600 177.600 177.101 0.499 25493 4033 1 9 . 1 1 63 63 LYS CA C 63 59.200 59.200 56.734 2.466 25493 4034 1 9 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.869 0.131 25493 4035 1 9 . 1 1 63 63 LYS H H 63 7.940 7.940 7.566 0.374 25493 4036 1 9 . 1 1 64 64 LYS N N 64 115.300 115.300 118.973 -3.673 25493 4037 1 9 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.445 -0.015 25493 4038 1 9 . 1 1 64 64 LYS C C 64 176.900 176.900 176.476 0.424 25493 4039 1 9 . 1 1 64 64 LYS CA C 64 55.400 55.400 56.743 -1.343 25493 4040 1 9 . 1 1 64 64 LYS CB C 64 34.100 34.100 34.866 -0.766 25493 4041 1 9 . 1 1 64 64 LYS H H 64 7.130 7.130 7.584 -0.454 25493 4042 1 9 . 1 1 65 65 THR N N 65 113.500 113.500 113.462 0.038 25493 4043 1 9 . 1 1 65 65 THR HA H 65 4.520 4.520 4.553 -0.033 25493 4044 1 9 . 1 1 65 65 THR C C 65 173.200 173.200 173.013 0.187 25493 4045 1 9 . 1 1 65 65 THR CA C 65 62.000 62.000 61.247 0.753 25493 4046 1 9 . 1 1 65 65 THR CB C 65 69.600 69.600 70.159 -0.559 25493 4047 1 9 . 1 1 65 65 THR H H 65 7.250 7.250 7.591 -0.341 25493 4048 1 9 . 1 1 66 66 LYS N N 66 125.700 125.700 122.597 3.103 25493 4049 1 9 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.585 -0.075 25493 4050 1 9 . 1 1 66 66 LYS C C 66 175.900 175.900 175.222 0.678 25493 4051 1 9 . 1 1 66 66 LYS CA C 66 55.400 55.400 55.162 0.238 25493 4052 1 9 . 1 1 66 66 LYS CB C 66 32.000 32.000 32.647 -0.647 25493 4053 1 9 . 1 1 66 66 LYS H H 66 8.500 8.500 8.458 0.042 25493 4054 1 9 . 1 1 67 67 ASN N N 67 122.100 122.100 123.760 -1.660 25493 4055 1 9 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.571 0.119 25493 4056 1 9 . 1 1 67 67 ASN C C 67 174.400 174.400 176.055 -1.655 25493 4057 1 9 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.090 0.110 25493 4058 1 9 . 1 1 67 67 ASN CB C 67 39.000 39.000 38.889 0.111 25493 4059 1 9 . 1 1 67 67 ASN H H 67 8.570 8.570 8.539 0.031 25493 4060 1 9 . 1 1 68 68 GLU N N 68 128.400 128.400 125.591 2.809 25493 4061 1 9 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.999 -0.009 25493 4062 1 9 . 1 1 68 68 GLU C C 68 178.500 178.500 177.835 0.665 25493 4063 1 9 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.300 -0.000 25493 4064 1 9 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.608 0.192 25493 4065 1 9 . 1 1 68 68 GLU H H 68 8.850 8.850 9.057 -0.207 25493 4066 1 9 . 1 1 69 69 GLU N N 69 120.300 120.300 118.349 1.951 25493 4067 1 9 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.356 -0.326 25493 4068 1 9 . 1 1 69 69 GLU C C 69 179.000 179.000 178.130 0.870 25493 4069 1 9 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.087 2.113 25493 4070 1 9 . 1 1 69 69 GLU CB C 69 29.200 29.200 29.800 -0.600 25493 4071 1 9 . 1 1 69 69 GLU H H 69 8.190 8.190 8.168 0.022 25493 4072 1 9 . 1 1 70 70 LEU N N 70 121.300 121.300 122.195 -0.895 25493 4073 1 9 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.088 -0.217 25493 4074 1 9 . 1 1 70 70 LEU C C 70 178.500 178.500 178.434 0.066 25493 4075 1 9 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.244 0.956 25493 4076 1 9 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.828 -1.128 25493 4077 1 9 . 1 1 70 70 LEU H H 70 8.120 8.120 7.554 0.566 25493 4078 1 9 . 1 1 71 71 ALA N N 71 121.000 121.000 120.540 0.460 25493 4079 1 9 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.870 -0.130 25493 4080 1 9 . 1 1 71 71 ALA C C 71 180.100 180.100 178.464 1.636 25493 4081 1 9 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.669 0.831 25493 4082 1 9 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.471 -0.771 25493 4083 1 9 . 1 1 71 71 ALA H H 71 8.330 8.330 8.707 -0.377 25493 4084 1 9 . 1 1 72 72 LYS N N 72 118.200 118.200 115.690 2.510 25493 4085 1 9 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.428 -0.468 25493 4086 1 9 . 1 1 72 72 LYS C C 72 179.800 179.800 178.698 1.102 25493 4087 1 9 . 1 1 72 72 LYS CA C 72 59.800 59.800 57.514 2.285 25493 4088 1 9 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.201 0.299 25493 4089 1 9 . 1 1 72 72 LYS H H 72 8.150 8.150 7.596 0.554 25493 4090 1 9 . 1 1 73 73 ARG N N 73 120.600 120.600 121.031 -0.431 25493 4091 1 9 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.196 -0.206 25493 4092 1 9 . 1 1 73 73 ARG C C 73 180.100 180.100 177.987 2.113 25493 4093 1 9 . 1 1 73 73 ARG CA C 73 59.300 59.300 58.721 0.579 25493 4094 1 9 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.491 1.509 25493 4095 1 9 . 1 1 73 73 ARG H H 73 8.140 8.140 8.221 -0.081 25493 4096 1 9 . 1 1 74 74 ALA N N 74 121.700 121.700 122.234 -0.534 25493 4097 1 9 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.048 -0.268 25493 4098 1 9 . 1 1 74 74 ALA C C 74 178.100 178.100 179.323 -1.223 25493 4099 1 9 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.429 -0.529 25493 4100 1 9 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.132 -0.932 25493 4101 1 9 . 1 1 74 74 ALA H H 74 8.970 8.970 8.310 0.660 25493 4102 1 9 . 1 1 75 75 LYS N N 75 117.900 117.900 116.655 1.245 25493 4103 1 9 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.165 -0.425 25493 4104 1 9 . 1 1 75 75 LYS C C 75 178.300 178.300 177.742 0.558 25493 4105 1 9 . 1 1 75 75 LYS CA C 75 60.300 60.300 57.797 2.503 25493 4106 1 9 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.118 0.382 25493 4107 1 9 . 1 1 75 75 LYS H H 75 8.200 8.200 8.482 -0.282 25493 4108 1 9 . 1 1 76 76 LYS N N 76 118.800 118.800 119.625 -0.825 25493 4109 1 9 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.145 -0.255 25493 4110 1 9 . 1 1 76 76 LYS C C 76 179.200 179.200 178.989 0.211 25493 4111 1 9 . 1 1 76 76 LYS CA C 76 59.800 59.800 58.511 1.289 25493 4112 1 9 . 1 1 76 76 LYS CB C 76 32.400 32.400 32.616 -0.216 25493 4113 1 9 . 1 1 76 76 LYS H H 76 7.630 7.630 7.452 0.178 25493 4114 1 9 . 1 1 77 77 LEU N N 77 121.400 121.400 121.588 -0.188 25493 4115 1 9 . 1 1 77 77 LEU HA H 77 3.630 3.630 3.738 -0.108 25493 4116 1 9 . 1 1 77 77 LEU C C 77 178.200 178.200 179.092 -0.892 25493 4117 1 9 . 1 1 77 77 LEU CA C 77 57.600 57.600 57.452 0.148 25493 4118 1 9 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.005 -0.205 25493 4119 1 9 . 1 1 77 77 LEU H H 77 7.430 7.430 8.386 -0.957 25493 4120 1 9 . 1 1 78 78 LEU N N 78 117.600 117.600 119.293 -1.693 25493 4121 1 9 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.856 -0.096 25493 4122 1 9 . 1 1 78 78 LEU C C 78 180.300 180.300 178.359 1.941 25493 4123 1 9 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.816 0.284 25493 4124 1 9 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.828 0.372 25493 4125 1 9 . 1 1 78 78 LEU H H 78 7.960 7.960 8.530 -0.570 25493 4126 1 9 . 1 1 79 79 ARG N N 79 119.800 119.800 117.025 2.775 25493 4127 1 9 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.971 0.139 25493 4128 1 9 . 1 1 79 79 ARG C C 79 179.500 179.500 178.505 0.995 25493 4129 1 9 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.324 0.876 25493 4130 1 9 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.687 0.013 25493 4131 1 9 . 1 1 79 79 ARG H H 79 8.110 8.110 7.466 0.644 25493 4132 1 9 . 1 1 80 80 SER N N 80 117.800 117.800 114.851 2.949 25493 4133 1 9 . 1 1 80 80 SER HA H 80 4.310 4.310 4.117 0.193 25493 4134 1 9 . 1 1 80 80 SER C C 80 177.000 177.000 174.763 2.237 25493 4135 1 9 . 1 1 80 80 SER CA C 80 61.500 61.500 60.109 1.391 25493 4136 1 9 . 1 1 80 80 SER CB C 80 62.500 62.500 62.984 -0.484 25493 4137 1 9 . 1 1 80 80 SER H H 80 7.870 7.870 7.395 0.475 25493 4138 1 9 . 1 1 81 81 TRP N N 81 123.300 123.300 116.895 6.405 25493 4139 1 9 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.013 -0.203 25493 4140 1 9 . 1 1 81 81 TRP C C 81 178.200 178.200 177.500 0.700 25493 4141 1 9 . 1 1 81 81 TRP CA C 81 56.500 56.500 56.436 0.064 25493 4142 1 9 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.424 0.776 25493 4143 1 9 . 1 1 81 81 TRP H H 81 8.010 8.010 7.184 0.826 25493 4144 1 9 . 1 1 82 82 GLN N N 82 120.400 120.400 122.796 -2.396 25493 4145 1 9 . 1 1 82 82 GLN HA H 82 4.080 4.080 3.994 0.086 25493 4146 1 9 . 1 1 82 82 GLN C C 82 177.600 177.600 177.354 0.246 25493 4147 1 9 . 1 1 82 82 GLN CA C 82 59.200 59.200 59.584 -0.384 25493 4148 1 9 . 1 1 82 82 GLN CB C 82 28.200 28.200 27.969 0.231 25493 4149 1 9 . 1 1 82 82 GLN H H 82 8.080 8.080 8.219 -0.139 25493 4150 1 9 . 1 1 83 83 LYS N N 83 115.600 115.600 118.195 -2.595 25493 4151 1 9 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.158 0.062 25493 4152 1 9 . 1 1 83 83 LYS C C 83 177.400 177.400 177.628 -0.228 25493 4153 1 9 . 1 1 83 83 LYS CA C 83 57.600 57.600 58.415 -0.815 25493 4154 1 9 . 1 1 83 83 LYS CB C 83 32.500 32.500 31.567 0.933 25493 4155 1 9 . 1 1 83 83 LYS H H 83 7.770 7.770 8.199 -0.429 25493 4156 1 9 . 1 1 84 84 LEU N N 84 117.900 117.900 118.146 -0.246 25493 4157 1 9 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.508 -0.228 25493 4158 1 9 . 1 1 84 84 LEU C C 84 177.500 177.500 178.816 -1.316 25493 4159 1 9 . 1 1 84 84 LEU CA C 84 56.000 56.000 56.044 -0.044 25493 4160 1 9 . 1 1 84 84 LEU CB C 84 42.900 42.900 43.102 -0.202 25493 4161 1 9 . 1 1 84 84 LEU H H 84 7.670 7.670 7.874 -0.204 25493 4162 1 9 . 1 1 85 85 ILE N N 85 115.400 115.400 112.992 2.408 25493 4163 1 9 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.275 -0.145 25493 4164 1 9 . 1 1 85 85 ILE C C 85 175.100 175.100 176.822 -1.722 25493 4165 1 9 . 1 1 85 85 ILE CA C 85 61.400 61.400 61.836 -0.436 25493 4166 1 9 . 1 1 85 85 ILE CB C 85 39.600 39.600 38.600 1.000 25493 4167 1 9 . 1 1 85 85 ILE H H 85 7.490 7.490 7.644 -0.154 25493 4168 1 10 . 1 1 7 7 ALA N N 7 123.700 123.700 123.107 0.593 25493 4169 1 10 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.540 -0.120 25493 4170 1 10 . 1 1 7 7 ALA C C 7 176.700 176.700 175.483 1.217 25493 4171 1 10 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.774 -0.174 25493 4172 1 10 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.974 -1.074 25493 4173 1 10 . 1 1 7 7 ALA H H 7 8.040 8.040 7.952 0.088 25493 4174 1 10 . 1 1 8 8 SER N N 8 117.100 117.100 117.103 -0.003 25493 4175 1 10 . 1 1 8 8 SER HA H 8 4.750 4.750 4.179 0.571 25493 4176 1 10 . 1 1 8 8 SER CA C 8 56.000 56.000 56.427 -0.427 25493 4177 1 10 . 1 1 8 8 SER CB C 8 63.300 63.300 63.533 -0.233 25493 4178 1 10 . 1 1 8 8 SER H H 8 8.430 8.430 8.353 0.077 25493 4179 1 10 . 1 1 9 9 PRO HA H 9 3.940 3.940 4.007 -0.067 25493 4180 1 10 . 1 1 9 9 PRO C C 9 177.400 177.400 177.916 -0.516 25493 4181 1 10 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.303 0.497 25493 4182 1 10 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.655 0.345 25493 4183 1 10 . 1 1 10 10 GLN N N 10 116.000 116.000 116.582 -0.582 25493 4184 1 10 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.047 -0.387 25493 4185 1 10 . 1 1 10 10 GLN C C 10 177.500 177.500 178.140 -0.640 25493 4186 1 10 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.319 0.981 25493 4187 1 10 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.700 -0.200 25493 4188 1 10 . 1 1 10 10 GLN H H 10 8.350 8.350 8.543 -0.193 25493 4189 1 10 . 1 1 11 11 GLN N N 11 119.200 119.200 118.547 0.653 25493 4190 1 10 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.106 -0.026 25493 4191 1 10 . 1 1 11 11 GLN C C 11 179.600 179.600 177.861 1.739 25493 4192 1 10 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.567 0.333 25493 4193 1 10 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.911 -0.311 25493 4194 1 10 . 1 1 11 11 GLN H H 11 7.680 7.680 7.673 0.007 25493 4195 1 10 . 1 1 12 12 ILE N N 12 121.300 121.300 113.462 7.838 25493 4196 1 10 . 1 1 12 12 ILE HA H 12 3.530 3.530 4.059 -0.529 25493 4197 1 10 . 1 1 12 12 ILE C C 12 177.200 177.200 177.434 -0.234 25493 4198 1 10 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.114 2.186 25493 4199 1 10 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.629 -0.229 25493 4200 1 10 . 1 1 12 12 ILE H H 12 8.190 8.190 7.895 0.295 25493 4201 1 10 . 1 1 13 13 ARG N N 13 120.200 120.200 122.486 -2.286 25493 4202 1 10 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.900 -0.160 25493 4203 1 10 . 1 1 13 13 ARG C C 13 177.700 177.700 177.754 -0.054 25493 4204 1 10 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.991 0.309 25493 4205 1 10 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.997 -1.797 25493 4206 1 10 . 1 1 13 13 ARG H H 13 8.320 8.320 8.003 0.317 25493 4207 1 10 . 1 1 14 14 ASP N N 14 119.200 119.200 117.679 1.521 25493 4208 1 10 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.593 -0.263 25493 4209 1 10 . 1 1 14 14 ASP C C 14 178.800 178.800 176.845 1.955 25493 4210 1 10 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.704 2.296 25493 4211 1 10 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.042 -0.443 25493 4212 1 10 . 1 1 14 14 ASP H H 14 8.280 8.280 8.064 0.216 25493 4213 1 10 . 1 1 15 15 ARG N N 15 120.400 120.400 118.546 1.854 25493 4214 1 10 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.406 -0.436 25493 4215 1 10 . 1 1 15 15 ARG C C 15 179.300 179.300 177.831 1.469 25493 4216 1 10 . 1 1 15 15 ARG CA C 15 59.200 59.200 57.328 1.872 25493 4217 1 10 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.786 -1.786 25493 4218 1 10 . 1 1 15 15 ARG H H 15 7.980 7.980 7.445 0.535 25493 4219 1 10 . 1 1 16 16 LEU N N 16 120.500 120.500 121.269 -0.769 25493 4220 1 10 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.271 -0.301 25493 4221 1 10 . 1 1 16 16 LEU C C 16 178.500 178.500 178.057 0.443 25493 4222 1 10 . 1 1 16 16 LEU CA C 16 58.100 58.100 58.260 -0.160 25493 4223 1 10 . 1 1 16 16 LEU CB C 16 41.200 41.200 41.994 -0.794 25493 4224 1 10 . 1 1 16 16 LEU H H 16 8.210 8.210 8.449 -0.239 25493 4225 1 10 . 1 1 17 17 LEU N N 17 116.100 116.100 119.376 -3.276 25493 4226 1 10 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.068 -0.068 25493 4227 1 10 . 1 1 17 17 LEU C C 17 179.400 179.400 178.534 0.866 25493 4228 1 10 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.577 0.023 25493 4229 1 10 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.302 0.398 25493 4230 1 10 . 1 1 17 17 LEU H H 17 8.310 8.310 8.406 -0.096 25493 4231 1 10 . 1 1 18 18 GLN N N 18 114.300 114.300 115.317 -1.017 25493 4232 1 10 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.178 0.062 25493 4233 1 10 . 1 1 18 18 GLN C C 18 176.700 176.700 177.415 -0.715 25493 4234 1 10 . 1 1 18 18 GLN CA C 18 57.000 57.000 57.076 -0.076 25493 4235 1 10 . 1 1 18 18 GLN CB C 18 28.800 28.800 28.654 0.146 25493 4236 1 10 . 1 1 18 18 GLN H H 18 7.460 7.460 7.897 -0.437 25493 4237 1 10 . 1 1 19 19 ALA N N 19 120.800 120.800 120.560 0.240 25493 4238 1 10 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.236 0.254 25493 4239 1 10 . 1 1 19 19 ALA C C 19 176.000 176.000 177.957 -1.957 25493 4240 1 10 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.816 -1.216 25493 4241 1 10 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.467 2.633 25493 4242 1 10 . 1 1 19 19 ALA H H 19 7.770 7.770 7.769 0.001 25493 4243 1 10 . 1 1 20 20 ILE N N 20 113.500 113.500 112.741 0.759 25493 4244 1 10 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.503 0.697 25493 4245 1 10 . 1 1 20 20 ILE C C 20 173.600 173.600 174.913 -1.313 25493 4246 1 10 . 1 1 20 20 ILE CA C 20 59.200 59.200 59.669 -0.469 25493 4247 1 10 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.573 2.227 25493 4248 1 10 . 1 1 20 20 ILE H H 20 7.360 7.360 7.551 -0.191 25493 4249 1 10 . 1 1 21 21 ASP N N 21 122.500 122.500 119.298 3.202 25493 4250 1 10 . 1 1 21 21 ASP HA H 21 4.980 4.980 4.773 0.207 25493 4251 1 10 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.902 0.198 25493 4252 1 10 . 1 1 21 21 ASP CB C 21 41.200 41.200 40.348 0.852 25493 4253 1 10 . 1 1 21 21 ASP H H 21 8.530 8.530 8.268 0.262 25493 4254 1 10 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.455 -0.005 25493 4255 1 10 . 1 1 22 22 PRO C C 22 177.500 177.500 176.273 1.227 25493 4256 1 10 . 1 1 22 22 PRO CA C 22 65.200 65.200 64.288 0.912 25493 4257 1 10 . 1 1 22 22 PRO CB C 22 31.900 31.900 31.368 0.532 25493 4258 1 10 . 1 1 23 23 GLN N N 23 115.900 115.900 116.325 -0.425 25493 4259 1 10 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.648 -0.228 25493 4260 1 10 . 1 1 23 23 GLN C C 23 174.800 174.800 175.593 -0.793 25493 4261 1 10 . 1 1 23 23 GLN CA C 23 55.400 55.400 55.609 -0.209 25493 4262 1 10 . 1 1 23 23 GLN CB C 23 28.700 28.700 31.590 -2.890 25493 4263 1 10 . 1 1 23 23 GLN H H 23 7.950 7.950 8.057 -0.107 25493 4264 1 10 . 1 1 24 24 SER N N 24 107.900 107.900 111.516 -3.616 25493 4265 1 10 . 1 1 24 24 SER HA H 24 3.730 3.730 4.696 -0.966 25493 4266 1 10 . 1 1 24 24 SER C C 24 173.200 173.200 174.073 -0.873 25493 4267 1 10 . 1 1 24 24 SER CA C 24 60.300 60.300 57.644 2.656 25493 4268 1 10 . 1 1 24 24 SER CB C 24 60.300 60.300 64.641 -4.341 25493 4269 1 10 . 1 1 24 24 SER H H 24 8.270 8.270 8.190 0.080 25493 4270 1 10 . 1 1 25 25 ASN N N 25 117.000 117.000 121.793 -4.793 25493 4271 1 10 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.791 -0.261 25493 4272 1 10 . 1 1 25 25 ASN C C 25 175.600 175.600 174.941 0.659 25493 4273 1 10 . 1 1 25 25 ASN CA C 25 52.800 52.800 53.543 -0.743 25493 4274 1 10 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.559 -1.059 25493 4275 1 10 . 1 1 25 25 ASN H H 25 8.500 8.500 8.212 0.288 25493 4276 1 10 . 1 1 26 26 ILE N N 26 122.400 122.400 119.388 3.012 25493 4277 1 10 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.214 -0.394 25493 4278 1 10 . 1 1 26 26 ILE C C 26 176.400 176.400 176.816 -0.416 25493 4279 1 10 . 1 1 26 26 ILE CA C 26 63.600 63.600 62.615 0.984 25493 4280 1 10 . 1 1 26 26 ILE CB C 26 38.600 38.600 39.191 -0.591 25493 4281 1 10 . 1 1 26 26 ILE H H 26 8.890 8.890 8.402 0.488 25493 4282 1 10 . 1 1 27 27 ARG N N 27 127.600 127.600 118.041 9.559 25493 4283 1 10 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.898 0.632 25493 4284 1 10 . 1 1 27 27 ARG C C 27 176.000 176.000 176.723 -0.723 25493 4285 1 10 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.904 -2.404 25493 4286 1 10 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.774 2.626 25493 4287 1 10 . 1 1 27 27 ARG H H 27 9.070 9.070 8.511 0.559 25493 4288 1 10 . 1 1 28 28 ASN N N 28 117.300 117.300 118.712 -1.412 25493 4289 1 10 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.956 -0.026 25493 4290 1 10 . 1 1 28 28 ASN C C 28 174.300 174.300 175.004 -0.704 25493 4291 1 10 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.793 -0.193 25493 4292 1 10 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.527 0.473 25493 4293 1 10 . 1 1 28 28 ASN H H 28 7.510 7.510 8.380 -0.870 25493 4294 1 10 . 1 1 29 29 MET N N 29 125.700 125.700 122.789 2.911 25493 4295 1 10 . 1 1 29 29 MET HA H 29 4.190 4.190 4.115 0.075 25493 4296 1 10 . 1 1 29 29 MET C C 29 177.300 177.300 177.361 -0.061 25493 4297 1 10 . 1 1 29 29 MET CA C 29 57.600 57.600 59.166 -1.566 25493 4298 1 10 . 1 1 29 29 MET CB C 29 31.400 31.400 32.711 -1.311 25493 4299 1 10 . 1 1 29 29 MET H H 29 8.940 8.940 8.730 0.210 25493 4300 1 10 . 1 1 30 30 VAL N N 30 118.600 118.600 118.885 -0.285 25493 4301 1 10 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.698 -0.178 25493 4302 1 10 . 1 1 30 30 VAL C C 30 178.800 178.800 176.814 1.986 25493 4303 1 10 . 1 1 30 30 VAL CA C 30 66.900 66.900 65.372 1.528 25493 4304 1 10 . 1 1 30 30 VAL CB C 30 31.500 31.500 31.349 0.152 25493 4305 1 10 . 1 1 30 30 VAL H H 30 7.910 7.910 8.118 -0.208 25493 4306 1 10 . 1 1 31 31 ALA N N 31 120.600 120.600 120.811 -0.211 25493 4307 1 10 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.266 -0.136 25493 4308 1 10 . 1 1 31 31 ALA C C 31 180.300 180.300 179.417 0.883 25493 4309 1 10 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.796 -0.496 25493 4310 1 10 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.557 0.343 25493 4311 1 10 . 1 1 31 31 ALA H H 31 7.270 7.270 8.048 -0.778 25493 4312 1 10 . 1 1 32 32 VAL N N 32 117.900 117.900 118.458 -0.558 25493 4313 1 10 . 1 1 32 32 VAL HA H 32 3.380 3.380 4.001 -0.621 25493 4314 1 10 . 1 1 32 32 VAL C C 32 177.700 177.700 176.632 1.068 25493 4315 1 10 . 1 1 32 32 VAL CA C 32 67.700 67.700 63.747 3.953 25493 4316 1 10 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.100 -1.200 25493 4317 1 10 . 1 1 32 32 VAL H H 32 7.640 7.640 7.486 0.154 25493 4318 1 10 . 1 1 33 33 LEU N N 33 119.900 119.900 121.486 -1.586 25493 4319 1 10 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.183 -0.273 25493 4320 1 10 . 1 1 33 33 LEU C C 33 179.900 179.900 178.595 1.305 25493 4321 1 10 . 1 1 33 33 LEU CA C 33 58.300 58.300 57.160 1.140 25493 4322 1 10 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.101 -0.401 25493 4323 1 10 . 1 1 33 33 LEU H H 33 8.450 8.450 8.284 0.166 25493 4324 1 10 . 1 1 34 34 GLU N N 34 121.200 121.200 120.434 0.766 25493 4325 1 10 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.049 0.011 25493 4326 1 10 . 1 1 34 34 GLU C C 34 179.800 179.800 179.052 0.748 25493 4327 1 10 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.513 0.287 25493 4328 1 10 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.051 0.249 25493 4329 1 10 . 1 1 34 34 GLU H H 34 8.080 8.080 7.912 0.169 25493 4330 1 10 . 1 1 35 35 VAL N N 35 122.400 122.400 119.644 2.756 25493 4331 1 10 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.787 -0.187 25493 4332 1 10 . 1 1 35 35 VAL C C 35 177.900 177.900 177.127 0.773 25493 4333 1 10 . 1 1 35 35 VAL CA C 35 67.100 67.100 65.873 1.227 25493 4334 1 10 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.788 -0.888 25493 4335 1 10 . 1 1 35 35 VAL H H 35 8.060 8.060 7.432 0.628 25493 4336 1 10 . 1 1 36 36 ILE N N 36 119.800 119.800 119.093 0.707 25493 4337 1 10 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.809 -0.249 25493 4338 1 10 . 1 1 36 36 ILE C C 36 177.500 177.500 178.079 -0.579 25493 4339 1 10 . 1 1 36 36 ILE CA C 36 64.200 64.200 63.901 0.299 25493 4340 1 10 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.599 -0.299 25493 4341 1 10 . 1 1 36 36 ILE H H 36 8.420 8.420 7.487 0.933 25493 4342 1 10 . 1 1 37 37 SER N N 37 114.700 114.700 112.991 1.709 25493 4343 1 10 . 1 1 37 37 SER HA H 37 4.290 4.290 4.256 0.034 25493 4344 1 10 . 1 1 37 37 SER C C 37 177.300 177.300 175.386 1.914 25493 4345 1 10 . 1 1 37 37 SER CA C 37 61.900 61.900 60.094 1.806 25493 4346 1 10 . 1 1 37 37 SER CB C 37 63.100 63.100 63.063 0.037 25493 4347 1 10 . 1 1 37 37 SER H H 37 8.430 8.430 8.228 0.202 25493 4348 1 10 . 1 1 38 38 SER N N 38 117.200 117.200 116.921 0.279 25493 4349 1 10 . 1 1 38 38 SER HA H 38 4.290 4.290 4.526 -0.236 25493 4350 1 10 . 1 1 38 38 SER C C 38 176.700 176.700 175.644 1.056 25493 4351 1 10 . 1 1 38 38 SER CA C 38 62.500 62.500 61.080 1.420 25493 4352 1 10 . 1 1 38 38 SER CB C 38 63.100 63.100 64.271 -1.171 25493 4353 1 10 . 1 1 38 38 SER H H 38 8.200 8.200 7.478 0.722 25493 4354 1 10 . 1 1 39 39 LEU N N 39 121.600 121.600 121.783 -0.183 25493 4355 1 10 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.231 0.139 25493 4356 1 10 . 1 1 39 39 LEU C C 39 178.700 178.700 177.892 0.808 25493 4357 1 10 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.212 -0.112 25493 4358 1 10 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.958 0.842 25493 4359 1 10 . 1 1 39 39 LEU H H 39 8.150 8.150 8.508 -0.358 25493 4360 1 10 . 1 1 40 40 GLU N N 40 118.600 118.600 115.774 2.826 25493 4361 1 10 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.245 -0.345 25493 4362 1 10 . 1 1 40 40 GLU C C 40 178.100 178.100 177.344 0.756 25493 4363 1 10 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.228 0.472 25493 4364 1 10 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.509 0.791 25493 4365 1 10 . 1 1 40 40 GLU H H 40 8.190 8.190 8.223 -0.033 25493 4366 1 10 . 1 1 41 41 LYS N N 41 116.300 116.300 115.258 1.042 25493 4367 1 10 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.402 -0.172 25493 4368 1 10 . 1 1 41 41 LYS C C 41 175.800 175.800 176.505 -0.705 25493 4369 1 10 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.832 0.768 25493 4370 1 10 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.537 0.063 25493 4371 1 10 . 1 1 41 41 LYS H H 41 7.440 7.440 7.778 -0.338 25493 4372 1 10 . 1 1 42 42 TYR N N 42 121.400 121.400 125.634 -4.234 25493 4373 1 10 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.731 0.129 25493 4374 1 10 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.911 -0.511 25493 4375 1 10 . 1 1 42 42 TYR CB C 42 39.600 39.600 39.192 0.408 25493 4376 1 10 . 1 1 42 42 TYR H H 42 7.730 7.730 8.112 -0.382 25493 4377 1 10 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.502 0.258 25493 4378 1 10 . 1 1 43 43 PRO C C 43 175.800 175.800 175.495 0.305 25493 4379 1 10 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.822 -0.322 25493 4380 1 10 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.526 -0.226 25493 4381 1 10 . 1 1 44 44 ILE N N 44 124.000 124.000 125.690 -1.690 25493 4382 1 10 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.020 0.450 25493 4383 1 10 . 1 1 44 44 ILE C C 44 174.300 174.300 175.947 -1.647 25493 4384 1 10 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.211 -0.911 25493 4385 1 10 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.610 3.090 25493 4386 1 10 . 1 1 44 44 ILE H H 44 8.200 8.200 7.994 0.206 25493 4387 1 10 . 1 1 45 45 THR N N 45 112.200 112.200 116.879 -4.679 25493 4388 1 10 . 1 1 45 45 THR HA H 45 4.530 4.530 4.684 -0.154 25493 4389 1 10 . 1 1 45 45 THR C C 45 175.100 175.100 174.809 0.291 25493 4390 1 10 . 1 1 45 45 THR CA C 45 59.800 59.800 59.788 0.012 25493 4391 1 10 . 1 1 45 45 THR CB C 45 72.300 72.300 71.580 0.720 25493 4392 1 10 . 1 1 45 45 THR H H 45 7.330 7.330 7.798 -0.468 25493 4393 1 10 . 1 1 46 46 LYS N N 46 121.500 121.500 122.684 -1.184 25493 4394 1 10 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.879 -0.139 25493 4395 1 10 . 1 1 46 46 LYS C C 46 178.200 178.200 178.626 -0.426 25493 4396 1 10 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.353 0.647 25493 4397 1 10 . 1 1 46 46 LYS CB C 46 32.500 32.500 32.095 0.405 25493 4398 1 10 . 1 1 46 46 LYS H H 46 9.090 9.090 8.632 0.458 25493 4399 1 10 . 1 1 47 47 GLU N N 47 118.400 118.400 119.365 -0.965 25493 4400 1 10 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.022 -0.002 25493 4401 1 10 . 1 1 47 47 GLU C C 47 179.000 179.000 177.741 1.259 25493 4402 1 10 . 1 1 47 47 GLU CA C 47 60.800 60.800 59.097 1.703 25493 4403 1 10 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.275 -0.575 25493 4404 1 10 . 1 1 47 47 GLU H H 47 9.010 9.010 8.696 0.314 25493 4405 1 10 . 1 1 48 48 ALA N N 48 122.300 122.300 120.715 1.585 25493 4406 1 10 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.185 0.085 25493 4407 1 10 . 1 1 48 48 ALA C C 48 181.900 181.900 178.816 3.084 25493 4408 1 10 . 1 1 48 48 ALA CA C 48 54.900 54.900 54.031 0.869 25493 4409 1 10 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.895 -1.095 25493 4410 1 10 . 1 1 48 48 ALA H H 48 7.860 7.860 7.565 0.295 25493 4411 1 10 . 1 1 49 49 LEU N N 49 122.200 122.200 121.330 0.870 25493 4412 1 10 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.106 -0.526 25493 4413 1 10 . 1 1 49 49 LEU C C 49 179.800 179.800 178.167 1.633 25493 4414 1 10 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.522 1.178 25493 4415 1 10 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.500 -0.200 25493 4416 1 10 . 1 1 49 49 LEU H H 49 8.260 8.260 7.853 0.407 25493 4417 1 10 . 1 1 50 50 GLU N N 50 120.400 120.400 117.843 2.557 25493 4418 1 10 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.028 0.012 25493 4419 1 10 . 1 1 50 50 GLU C C 50 178.900 178.900 178.871 0.029 25493 4420 1 10 . 1 1 50 50 GLU CA C 50 59.200 59.200 59.063 0.137 25493 4421 1 10 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.307 -0.107 25493 4422 1 10 . 1 1 50 50 GLU H H 50 8.120 8.120 8.403 -0.283 25493 4423 1 10 . 1 1 51 51 GLU N N 51 118.500 118.500 119.891 -1.391 25493 4424 1 10 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.176 -0.126 25493 4425 1 10 . 1 1 51 51 GLU C C 51 178.800 178.800 178.141 0.659 25493 4426 1 10 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.428 0.772 25493 4427 1 10 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.627 0.673 25493 4428 1 10 . 1 1 51 51 GLU H H 51 8.200 8.200 8.134 0.066 25493 4429 1 10 . 1 1 52 52 THR N N 52 104.700 104.700 109.889 -5.189 25493 4430 1 10 . 1 1 52 52 THR HA H 52 4.090 4.090 4.286 -0.196 25493 4431 1 10 . 1 1 52 52 THR C C 52 175.400 175.400 175.473 -0.073 25493 4432 1 10 . 1 1 52 52 THR CA C 52 63.100 63.100 62.371 0.729 25493 4433 1 10 . 1 1 52 52 THR CB C 52 71.800 71.800 69.247 2.553 25493 4434 1 10 . 1 1 52 52 THR H H 52 7.840 7.840 8.115 -0.275 25493 4435 1 10 . 1 1 53 53 ARG N N 53 114.400 114.400 118.460 -4.060 25493 4436 1 10 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.970 0.140 25493 4437 1 10 . 1 1 53 53 ARG C C 53 177.200 177.200 176.239 0.961 25493 4438 1 10 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.771 0.529 25493 4439 1 10 . 1 1 53 53 ARG CB C 53 27.500 27.500 27.716 -0.216 25493 4440 1 10 . 1 1 53 53 ARG H H 53 7.680 7.680 7.743 -0.063 25493 4441 1 10 . 1 1 54 54 LEU N N 54 117.200 117.200 119.718 -2.518 25493 4442 1 10 . 1 1 54 54 LEU HA H 54 3.810 3.810 3.979 -0.169 25493 4443 1 10 . 1 1 54 54 LEU C C 54 178.200 178.200 178.024 0.176 25493 4444 1 10 . 1 1 54 54 LEU CA C 54 58.700 58.700 58.249 0.451 25493 4445 1 10 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.616 1.784 25493 4446 1 10 . 1 1 54 54 LEU H H 54 7.460 7.460 7.494 -0.034 25493 4447 1 10 . 1 1 55 55 GLY N N 55 105.900 105.900 104.706 1.194 25493 4448 1 10 . 1 1 55 55 GLY C C 55 175.500 175.500 176.043 -0.543 25493 4449 1 10 . 1 1 55 55 GLY CA C 55 47.200 47.200 46.890 0.310 25493 4450 1 10 . 1 1 55 55 GLY H H 55 8.650 8.650 8.296 0.354 25493 4451 1 10 . 1 1 56 56 LYS N N 56 123.300 123.300 122.880 0.420 25493 4452 1 10 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.179 -0.069 25493 4453 1 10 . 1 1 56 56 LYS C C 56 178.300 178.300 178.607 -0.307 25493 4454 1 10 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.447 0.753 25493 4455 1 10 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.282 0.218 25493 4456 1 10 . 1 1 56 56 LYS H H 56 7.210 7.210 7.602 -0.392 25493 4457 1 10 . 1 1 57 57 LEU N N 57 117.700 117.700 121.233 -3.533 25493 4458 1 10 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.117 0.063 25493 4459 1 10 . 1 1 57 57 LEU C C 57 179.600 179.600 178.740 0.860 25493 4460 1 10 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.876 -0.176 25493 4461 1 10 . 1 1 57 57 LEU CB C 57 43.400 43.400 41.991 1.409 25493 4462 1 10 . 1 1 57 57 LEU H H 57 7.900 7.900 7.674 0.226 25493 4463 1 10 . 1 1 58 58 ILE N N 58 116.600 116.600 117.454 -0.854 25493 4464 1 10 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.774 -0.094 25493 4465 1 10 . 1 1 58 58 ILE C C 58 177.900 177.900 177.949 -0.049 25493 4466 1 10 . 1 1 58 58 ILE CA C 58 63.100 63.100 63.479 -0.379 25493 4467 1 10 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.491 -0.691 25493 4468 1 10 . 1 1 58 58 ILE H H 58 8.640 8.640 8.278 0.362 25493 4469 1 10 . 1 1 59 59 ASN N N 59 119.600 119.600 119.590 0.010 25493 4470 1 10 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.427 -0.057 25493 4471 1 10 . 1 1 59 59 ASN C C 59 176.700 176.700 177.005 -0.305 25493 4472 1 10 . 1 1 59 59 ASN CA C 59 57.000 57.000 56.967 0.033 25493 4473 1 10 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.584 -0.084 25493 4474 1 10 . 1 1 59 59 ASN H H 59 8.120 8.120 7.832 0.288 25493 4475 1 10 . 1 1 60 60 ASP N N 60 119.600 119.600 120.682 -1.082 25493 4476 1 10 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.447 -0.067 25493 4477 1 10 . 1 1 60 60 ASP C C 60 179.400 179.400 178.723 0.677 25493 4478 1 10 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.326 0.274 25493 4479 1 10 . 1 1 60 60 ASP CB C 60 39.600 39.600 40.958 -1.358 25493 4480 1 10 . 1 1 60 60 ASP H H 60 8.490 8.490 7.913 0.577 25493 4481 1 10 . 1 1 61 61 VAL N N 61 118.700 118.700 120.814 -2.114 25493 4482 1 10 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.920 -0.170 25493 4483 1 10 . 1 1 61 61 VAL C C 61 179.000 179.000 177.219 1.781 25493 4484 1 10 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.379 0.421 25493 4485 1 10 . 1 1 61 61 VAL CB C 61 32.500 32.500 32.032 0.468 25493 4486 1 10 . 1 1 61 61 VAL H H 61 7.930 7.930 8.153 -0.223 25493 4487 1 10 . 1 1 62 62 ARG N N 62 120.900 120.900 119.280 1.620 25493 4488 1 10 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.100 -0.450 25493 4489 1 10 . 1 1 62 62 ARG C C 62 177.100 177.100 177.382 -0.282 25493 4490 1 10 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.320 0.880 25493 4491 1 10 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.719 0.081 25493 4492 1 10 . 1 1 62 62 ARG H H 62 8.620 8.620 7.486 1.134 25493 4493 1 10 . 1 1 63 63 LYS N N 63 115.700 115.700 117.386 -1.686 25493 4494 1 10 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.169 -0.239 25493 4495 1 10 . 1 1 63 63 LYS C C 63 177.600 177.600 177.279 0.321 25493 4496 1 10 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.634 1.566 25493 4497 1 10 . 1 1 63 63 LYS CB C 63 33.000 33.000 31.954 1.046 25493 4498 1 10 . 1 1 63 63 LYS H H 63 7.940 7.940 7.291 0.649 25493 4499 1 10 . 1 1 64 64 LYS N N 64 115.300 115.300 118.017 -2.717 25493 4500 1 10 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.389 0.041 25493 4501 1 10 . 1 1 64 64 LYS C C 64 176.900 176.900 176.722 0.178 25493 4502 1 10 . 1 1 64 64 LYS CA C 64 55.400 55.400 57.033 -1.633 25493 4503 1 10 . 1 1 64 64 LYS CB C 64 34.100 34.100 34.492 -0.392 25493 4504 1 10 . 1 1 64 64 LYS H H 64 7.130 7.130 7.615 -0.485 25493 4505 1 10 . 1 1 65 65 THR N N 65 113.500 113.500 113.950 -0.450 25493 4506 1 10 . 1 1 65 65 THR HA H 65 4.520 4.520 4.620 -0.100 25493 4507 1 10 . 1 1 65 65 THR C C 65 173.200 173.200 172.425 0.775 25493 4508 1 10 . 1 1 65 65 THR CA C 65 62.000 62.000 60.783 1.217 25493 4509 1 10 . 1 1 65 65 THR CB C 65 69.600 69.600 70.520 -0.920 25493 4510 1 10 . 1 1 65 65 THR H H 65 7.250 7.250 8.032 -0.782 25493 4511 1 10 . 1 1 66 66 LYS N N 66 125.700 125.700 121.867 3.833 25493 4512 1 10 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.606 -0.096 25493 4513 1 10 . 1 1 66 66 LYS C C 66 175.900 175.900 175.351 0.549 25493 4514 1 10 . 1 1 66 66 LYS CA C 66 55.400 55.400 54.225 1.175 25493 4515 1 10 . 1 1 66 66 LYS CB C 66 32.000 32.000 30.503 1.496 25493 4516 1 10 . 1 1 66 66 LYS H H 66 8.500 8.500 8.504 -0.004 25493 4517 1 10 . 1 1 67 67 ASN N N 67 122.100 122.100 122.280 -0.180 25493 4518 1 10 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.620 0.070 25493 4519 1 10 . 1 1 67 67 ASN C C 67 174.400 174.400 176.158 -1.758 25493 4520 1 10 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.038 0.162 25493 4521 1 10 . 1 1 67 67 ASN CB C 67 39.000 39.000 38.774 0.226 25493 4522 1 10 . 1 1 67 67 ASN H H 67 8.570 8.570 8.372 0.198 25493 4523 1 10 . 1 1 68 68 GLU N N 68 128.400 128.400 125.923 2.477 25493 4524 1 10 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.946 0.044 25493 4525 1 10 . 1 1 68 68 GLU C C 68 178.500 178.500 177.532 0.968 25493 4526 1 10 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.174 0.126 25493 4527 1 10 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.400 0.400 25493 4528 1 10 . 1 1 68 68 GLU H H 68 8.850 8.850 8.719 0.131 25493 4529 1 10 . 1 1 69 69 GLU N N 69 120.300 120.300 119.879 0.421 25493 4530 1 10 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.319 -0.289 25493 4531 1 10 . 1 1 69 69 GLU C C 69 179.000 179.000 178.284 0.716 25493 4532 1 10 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.103 2.097 25493 4533 1 10 . 1 1 69 69 GLU CB C 69 29.200 29.200 29.574 -0.374 25493 4534 1 10 . 1 1 69 69 GLU H H 69 8.190 8.190 8.265 -0.075 25493 4535 1 10 . 1 1 70 70 LEU N N 70 121.300 121.300 121.569 -0.269 25493 4536 1 10 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.098 -0.228 25493 4537 1 10 . 1 1 70 70 LEU C C 70 178.500 178.500 178.527 -0.027 25493 4538 1 10 . 1 1 70 70 LEU CA C 70 58.200 58.200 56.875 1.325 25493 4539 1 10 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.643 -0.943 25493 4540 1 10 . 1 1 70 70 LEU H H 70 8.120 8.120 8.023 0.097 25493 4541 1 10 . 1 1 71 71 ALA N N 71 121.000 121.000 120.994 0.006 25493 4542 1 10 . 1 1 71 71 ALA HA H 71 3.740 3.740 4.037 -0.297 25493 4543 1 10 . 1 1 71 71 ALA C C 71 180.100 180.100 178.172 1.928 25493 4544 1 10 . 1 1 71 71 ALA CA C 71 56.500 56.500 54.874 1.626 25493 4545 1 10 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.825 -1.125 25493 4546 1 10 . 1 1 71 71 ALA H H 71 8.330 8.330 8.659 -0.329 25493 4547 1 10 . 1 1 72 72 LYS N N 72 118.200 118.200 114.201 3.999 25493 4548 1 10 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.453 -0.493 25493 4549 1 10 . 1 1 72 72 LYS C C 72 179.800 179.800 178.036 1.764 25493 4550 1 10 . 1 1 72 72 LYS CA C 72 59.800 59.800 57.212 2.588 25493 4551 1 10 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.950 -0.450 25493 4552 1 10 . 1 1 72 72 LYS H H 72 8.150 8.150 7.683 0.467 25493 4553 1 10 . 1 1 73 73 ARG N N 73 120.600 120.600 121.161 -0.561 25493 4554 1 10 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.294 -0.304 25493 4555 1 10 . 1 1 73 73 ARG C C 73 180.100 180.100 177.840 2.260 25493 4556 1 10 . 1 1 73 73 ARG CA C 73 59.300 59.300 58.054 1.246 25493 4557 1 10 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.500 1.500 25493 4558 1 10 . 1 1 73 73 ARG H H 73 8.140 8.140 8.684 -0.544 25493 4559 1 10 . 1 1 74 74 ALA N N 74 121.700 121.700 123.333 -1.633 25493 4560 1 10 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.052 -0.272 25493 4561 1 10 . 1 1 74 74 ALA C C 74 178.100 178.100 179.512 -1.412 25493 4562 1 10 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.843 -0.943 25493 4563 1 10 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.142 -0.942 25493 4564 1 10 . 1 1 74 74 ALA H H 74 8.970 8.970 8.079 0.891 25493 4565 1 10 . 1 1 75 75 LYS N N 75 117.900 117.900 117.380 0.520 25493 4566 1 10 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.025 -0.285 25493 4567 1 10 . 1 1 75 75 LYS C C 75 178.300 178.300 178.895 -0.595 25493 4568 1 10 . 1 1 75 75 LYS CA C 75 60.300 60.300 58.670 1.630 25493 4569 1 10 . 1 1 75 75 LYS CB C 75 32.500 32.500 31.914 0.586 25493 4570 1 10 . 1 1 75 75 LYS H H 75 8.200 8.200 7.880 0.320 25493 4571 1 10 . 1 1 76 76 LYS N N 76 118.800 118.800 119.497 -0.697 25493 4572 1 10 . 1 1 76 76 LYS HA H 76 3.890 3.890 3.909 -0.019 25493 4573 1 10 . 1 1 76 76 LYS C C 76 179.200 179.200 178.110 1.090 25493 4574 1 10 . 1 1 76 76 LYS CA C 76 59.800 59.800 59.455 0.345 25493 4575 1 10 . 1 1 76 76 LYS CB C 76 32.400 32.400 32.436 -0.036 25493 4576 1 10 . 1 1 76 76 LYS H H 76 7.630 7.630 7.500 0.130 25493 4577 1 10 . 1 1 77 77 LEU N N 77 121.400 121.400 118.220 3.180 25493 4578 1 10 . 1 1 77 77 LEU HA H 77 3.630 3.630 4.082 -0.452 25493 4579 1 10 . 1 1 77 77 LEU C C 77 178.200 178.200 178.472 -0.272 25493 4580 1 10 . 1 1 77 77 LEU CA C 77 57.600 57.600 56.434 1.166 25493 4581 1 10 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.639 -0.839 25493 4582 1 10 . 1 1 77 77 LEU H H 77 7.430 7.430 7.780 -0.350 25493 4583 1 10 . 1 1 78 78 LEU N N 78 117.600 117.600 120.584 -2.984 25493 4584 1 10 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.455 0.305 25493 4585 1 10 . 1 1 78 78 LEU C C 78 180.300 180.300 178.453 1.847 25493 4586 1 10 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.635 0.465 25493 4587 1 10 . 1 1 78 78 LEU CB C 78 41.200 41.200 41.351 -0.151 25493 4588 1 10 . 1 1 78 78 LEU H H 78 7.960 7.960 8.103 -0.143 25493 4589 1 10 . 1 1 79 79 ARG N N 79 119.800 119.800 117.676 2.124 25493 4590 1 10 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.855 0.255 25493 4591 1 10 . 1 1 79 79 ARG C C 79 179.500 179.500 178.353 1.147 25493 4592 1 10 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.779 0.421 25493 4593 1 10 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.414 0.286 25493 4594 1 10 . 1 1 79 79 ARG H H 79 8.110 8.110 7.979 0.131 25493 4595 1 10 . 1 1 80 80 SER N N 80 117.800 117.800 115.048 2.752 25493 4596 1 10 . 1 1 80 80 SER HA H 80 4.310 4.310 4.167 0.143 25493 4597 1 10 . 1 1 80 80 SER C C 80 177.000 177.000 175.203 1.797 25493 4598 1 10 . 1 1 80 80 SER CA C 80 61.500 61.500 60.279 1.221 25493 4599 1 10 . 1 1 80 80 SER CB C 80 62.500 62.500 62.953 -0.453 25493 4600 1 10 . 1 1 80 80 SER H H 80 7.870 7.870 7.430 0.440 25493 4601 1 10 . 1 1 81 81 TRP N N 81 123.300 123.300 118.399 4.901 25493 4602 1 10 . 1 1 81 81 TRP HA H 81 4.810 4.810 4.999 -0.189 25493 4603 1 10 . 1 1 81 81 TRP C C 81 178.200 178.200 177.318 0.882 25493 4604 1 10 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.625 0.875 25493 4605 1 10 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.795 0.405 25493 4606 1 10 . 1 1 81 81 TRP H H 81 8.010 8.010 7.105 0.905 25493 4607 1 10 . 1 1 82 82 GLN N N 82 120.400 120.400 123.370 -2.970 25493 4608 1 10 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.057 0.023 25493 4609 1 10 . 1 1 82 82 GLN C C 82 177.600 177.600 177.062 0.538 25493 4610 1 10 . 1 1 82 82 GLN CA C 82 59.200 59.200 58.928 0.272 25493 4611 1 10 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.334 -0.134 25493 4612 1 10 . 1 1 82 82 GLN H H 82 8.080 8.080 7.936 0.144 25493 4613 1 10 . 1 1 83 83 LYS N N 83 115.600 115.600 118.112 -2.512 25493 4614 1 10 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.136 0.084 25493 4615 1 10 . 1 1 83 83 LYS C C 83 177.400 177.400 177.592 -0.192 25493 4616 1 10 . 1 1 83 83 LYS CA C 83 57.600 57.600 58.654 -1.054 25493 4617 1 10 . 1 1 83 83 LYS CB C 83 32.500 32.500 32.367 0.133 25493 4618 1 10 . 1 1 83 83 LYS H H 83 7.770 7.770 8.430 -0.660 25493 4619 1 10 . 1 1 84 84 LEU N N 84 117.900 117.900 116.828 1.072 25493 4620 1 10 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.484 -0.204 25493 4621 1 10 . 1 1 84 84 LEU C C 84 177.500 177.500 177.106 0.394 25493 4622 1 10 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.105 0.895 25493 4623 1 10 . 1 1 84 84 LEU CB C 84 42.900 42.900 43.539 -0.639 25493 4624 1 10 . 1 1 84 84 LEU H H 84 7.670 7.670 8.012 -0.342 25493 4625 1 10 . 1 1 85 85 ILE N N 85 115.400 115.400 113.285 2.115 25493 4626 1 10 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.453 -0.323 25493 4627 1 10 . 1 1 85 85 ILE C C 85 175.100 175.100 174.946 0.154 25493 4628 1 10 . 1 1 85 85 ILE CA C 85 61.400 61.400 58.795 2.604 25493 4629 1 10 . 1 1 85 85 ILE CB C 85 39.600 39.600 39.503 0.097 25493 4630 1 10 . 1 1 85 85 ILE H H 85 7.490 7.490 7.449 0.041 25493 4631 1 11 . 1 1 7 7 ALA N N 7 123.700 123.700 122.511 1.189 25493 4632 1 11 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.397 0.023 25493 4633 1 11 . 1 1 7 7 ALA C C 7 176.700 176.700 175.281 1.419 25493 4634 1 11 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.659 -0.059 25493 4635 1 11 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.643 -0.743 25493 4636 1 11 . 1 1 7 7 ALA H H 7 8.040 8.040 7.894 0.146 25493 4637 1 11 . 1 1 8 8 SER N N 8 117.100 117.100 116.639 0.461 25493 4638 1 11 . 1 1 8 8 SER HA H 8 4.750 4.750 4.283 0.467 25493 4639 1 11 . 1 1 8 8 SER CA C 8 56.000 56.000 56.145 -0.145 25493 4640 1 11 . 1 1 8 8 SER CB C 8 63.300 63.300 63.421 -0.121 25493 4641 1 11 . 1 1 8 8 SER H H 8 8.430 8.430 8.294 0.136 25493 4642 1 11 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.888 0.052 25493 4643 1 11 . 1 1 9 9 PRO C C 9 177.400 177.400 178.205 -0.805 25493 4644 1 11 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.445 0.354 25493 4645 1 11 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.618 0.382 25493 4646 1 11 . 1 1 10 10 GLN N N 10 116.000 116.000 115.993 0.007 25493 4647 1 11 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.024 -0.364 25493 4648 1 11 . 1 1 10 10 GLN C C 10 177.500 177.500 178.231 -0.731 25493 4649 1 11 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.333 0.967 25493 4650 1 11 . 1 1 10 10 GLN CB C 10 27.500 27.500 28.047 -0.547 25493 4651 1 11 . 1 1 10 10 GLN H H 10 8.350 8.350 8.488 -0.138 25493 4652 1 11 . 1 1 11 11 GLN N N 11 119.200 119.200 118.376 0.824 25493 4653 1 11 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.120 -0.040 25493 4654 1 11 . 1 1 11 11 GLN C C 11 179.600 179.600 178.184 1.416 25493 4655 1 11 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.307 0.593 25493 4656 1 11 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.688 -0.088 25493 4657 1 11 . 1 1 11 11 GLN H H 11 7.680 7.680 7.673 0.007 25493 4658 1 11 . 1 1 12 12 ILE N N 12 121.300 121.300 112.922 8.378 25493 4659 1 11 . 1 1 12 12 ILE HA H 12 3.530 3.530 4.052 -0.522 25493 4660 1 11 . 1 1 12 12 ILE C C 12 177.200 177.200 177.334 -0.134 25493 4661 1 11 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.075 2.225 25493 4662 1 11 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.320 0.080 25493 4663 1 11 . 1 1 12 12 ILE H H 12 8.190 8.190 7.874 0.316 25493 4664 1 11 . 1 1 13 13 ARG N N 13 120.200 120.200 122.301 -2.101 25493 4665 1 11 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.923 -0.183 25493 4666 1 11 . 1 1 13 13 ARG C C 13 177.700 177.700 177.816 -0.116 25493 4667 1 11 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.956 0.344 25493 4668 1 11 . 1 1 13 13 ARG CB C 13 28.200 28.200 30.131 -1.931 25493 4669 1 11 . 1 1 13 13 ARG H H 13 8.320 8.320 8.040 0.280 25493 4670 1 11 . 1 1 14 14 ASP N N 14 119.200 119.200 117.991 1.209 25493 4671 1 11 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.551 -0.221 25493 4672 1 11 . 1 1 14 14 ASP C C 14 178.800 178.800 176.537 2.263 25493 4673 1 11 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.743 2.257 25493 4674 1 11 . 1 1 14 14 ASP CB C 14 39.600 39.600 39.882 -0.282 25493 4675 1 11 . 1 1 14 14 ASP H H 14 8.280 8.280 8.047 0.233 25493 4676 1 11 . 1 1 15 15 ARG N N 15 120.400 120.400 118.022 2.378 25493 4677 1 11 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.467 -0.497 25493 4678 1 11 . 1 1 15 15 ARG C C 15 179.300 179.300 176.992 2.308 25493 4679 1 11 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.665 2.535 25493 4680 1 11 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.903 -1.903 25493 4681 1 11 . 1 1 15 15 ARG H H 15 7.980 7.980 7.520 0.460 25493 4682 1 11 . 1 1 16 16 LEU N N 16 120.500 120.500 120.325 0.175 25493 4683 1 11 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.313 -0.343 25493 4684 1 11 . 1 1 16 16 LEU C C 16 178.500 178.500 177.854 0.646 25493 4685 1 11 . 1 1 16 16 LEU CA C 16 58.100 58.100 57.982 0.118 25493 4686 1 11 . 1 1 16 16 LEU CB C 16 41.200 41.200 42.689 -1.489 25493 4687 1 11 . 1 1 16 16 LEU H H 16 8.210 8.210 8.263 -0.053 25493 4688 1 11 . 1 1 17 17 LEU N N 17 116.100 116.100 119.344 -3.244 25493 4689 1 11 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.083 -0.083 25493 4690 1 11 . 1 1 17 17 LEU C C 17 179.400 179.400 178.552 0.848 25493 4691 1 11 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.553 0.047 25493 4692 1 11 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.253 0.447 25493 4693 1 11 . 1 1 17 17 LEU H H 17 8.310 8.310 8.363 -0.053 25493 4694 1 11 . 1 1 18 18 GLN N N 18 114.300 114.300 115.820 -1.520 25493 4695 1 11 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.235 0.005 25493 4696 1 11 . 1 1 18 18 GLN C C 18 176.700 176.700 177.396 -0.696 25493 4697 1 11 . 1 1 18 18 GLN CA C 18 57.000 57.000 56.852 0.148 25493 4698 1 11 . 1 1 18 18 GLN CB C 18 28.800 28.800 28.412 0.388 25493 4699 1 11 . 1 1 18 18 GLN H H 18 7.460 7.460 7.821 -0.361 25493 4700 1 11 . 1 1 19 19 ALA N N 19 120.800 120.800 121.870 -1.070 25493 4701 1 11 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.208 0.282 25493 4702 1 11 . 1 1 19 19 ALA C C 19 176.000 176.000 177.134 -1.134 25493 4703 1 11 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.731 -1.131 25493 4704 1 11 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.340 2.760 25493 4705 1 11 . 1 1 19 19 ALA H H 19 7.770 7.770 7.477 0.293 25493 4706 1 11 . 1 1 20 20 ILE N N 20 113.500 113.500 111.321 2.179 25493 4707 1 11 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.647 0.553 25493 4708 1 11 . 1 1 20 20 ILE C C 20 173.600 173.600 173.920 -0.320 25493 4709 1 11 . 1 1 20 20 ILE CA C 20 59.200 59.200 59.014 0.186 25493 4710 1 11 . 1 1 20 20 ILE CB C 20 41.800 41.800 40.456 1.344 25493 4711 1 11 . 1 1 20 20 ILE H H 20 7.360 7.360 7.269 0.091 25493 4712 1 11 . 1 1 21 21 ASP N N 21 122.500 122.500 119.284 3.216 25493 4713 1 11 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.055 -0.075 25493 4714 1 11 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.791 0.309 25493 4715 1 11 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.623 -0.423 25493 4716 1 11 . 1 1 21 21 ASP H H 21 8.530 8.530 8.292 0.238 25493 4717 1 11 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.468 -0.018 25493 4718 1 11 . 1 1 22 22 PRO C C 22 177.500 177.500 176.533 0.967 25493 4719 1 11 . 1 1 22 22 PRO CA C 22 65.200 65.200 63.325 1.875 25493 4720 1 11 . 1 1 22 22 PRO CB C 22 31.900 31.900 31.509 0.391 25493 4721 1 11 . 1 1 23 23 GLN N N 23 115.900 115.900 118.539 -2.639 25493 4722 1 11 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.304 0.116 25493 4723 1 11 . 1 1 23 23 GLN C C 23 174.800 174.800 175.573 -0.773 25493 4724 1 11 . 1 1 23 23 GLN CA C 23 55.400 55.400 57.389 -1.989 25493 4725 1 11 . 1 1 23 23 GLN CB C 23 28.700 28.700 29.977 -1.277 25493 4726 1 11 . 1 1 23 23 GLN H H 23 7.950 7.950 7.942 0.008 25493 4727 1 11 . 1 1 24 24 SER N N 24 107.900 107.900 108.016 -0.116 25493 4728 1 11 . 1 1 24 24 SER HA H 24 3.730 3.730 4.594 -0.864 25493 4729 1 11 . 1 1 24 24 SER C C 24 173.200 173.200 173.798 -0.598 25493 4730 1 11 . 1 1 24 24 SER CA C 24 60.300 60.300 57.269 3.031 25493 4731 1 11 . 1 1 24 24 SER CB C 24 60.300 60.300 63.876 -3.576 25493 4732 1 11 . 1 1 24 24 SER H H 24 8.270 8.270 8.040 0.230 25493 4733 1 11 . 1 1 25 25 ASN N N 25 117.000 117.000 121.911 -4.911 25493 4734 1 11 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.790 -0.260 25493 4735 1 11 . 1 1 25 25 ASN C C 25 175.600 175.600 174.914 0.686 25493 4736 1 11 . 1 1 25 25 ASN CA C 25 52.800 52.800 53.496 -0.696 25493 4737 1 11 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.717 -1.216 25493 4738 1 11 . 1 1 25 25 ASN H H 25 8.500 8.500 7.726 0.774 25493 4739 1 11 . 1 1 26 26 ILE N N 26 122.400 122.400 118.199 4.201 25493 4740 1 11 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.132 -0.312 25493 4741 1 11 . 1 1 26 26 ILE C C 26 176.400 176.400 176.731 -0.331 25493 4742 1 11 . 1 1 26 26 ILE CA C 26 63.600 63.600 61.396 2.204 25493 4743 1 11 . 1 1 26 26 ILE CB C 26 38.600 38.600 39.492 -0.892 25493 4744 1 11 . 1 1 26 26 ILE H H 26 8.890 8.890 8.503 0.387 25493 4745 1 11 . 1 1 27 27 ARG N N 27 127.600 127.600 117.113 10.487 25493 4746 1 11 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.923 0.607 25493 4747 1 11 . 1 1 27 27 ARG C C 27 176.000 176.000 176.096 -0.096 25493 4748 1 11 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.739 -2.239 25493 4749 1 11 . 1 1 27 27 ARG CB C 27 31.400 31.400 29.004 2.396 25493 4750 1 11 . 1 1 27 27 ARG H H 27 9.070 9.070 8.513 0.557 25493 4751 1 11 . 1 1 28 28 ASN N N 28 117.300 117.300 117.982 -0.682 25493 4752 1 11 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.980 -0.050 25493 4753 1 11 . 1 1 28 28 ASN C C 28 174.300 174.300 175.171 -0.871 25493 4754 1 11 . 1 1 28 28 ASN CA C 28 51.600 51.600 52.174 -0.574 25493 4755 1 11 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.811 0.189 25493 4756 1 11 . 1 1 28 28 ASN H H 28 7.510 7.510 8.381 -0.871 25493 4757 1 11 . 1 1 29 29 MET N N 29 125.700 125.700 122.590 3.110 25493 4758 1 11 . 1 1 29 29 MET HA H 29 4.190 4.190 4.123 0.067 25493 4759 1 11 . 1 1 29 29 MET C C 29 177.300 177.300 177.245 0.055 25493 4760 1 11 . 1 1 29 29 MET CA C 29 57.600 57.600 59.005 -1.405 25493 4761 1 11 . 1 1 29 29 MET CB C 29 31.400 31.400 32.757 -1.357 25493 4762 1 11 . 1 1 29 29 MET H H 29 8.940 8.940 8.738 0.202 25493 4763 1 11 . 1 1 30 30 VAL N N 30 118.600 118.600 114.090 4.510 25493 4764 1 11 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.759 -0.239 25493 4765 1 11 . 1 1 30 30 VAL C C 30 178.800 178.800 177.118 1.682 25493 4766 1 11 . 1 1 30 30 VAL CA C 30 66.900 66.900 64.842 2.058 25493 4767 1 11 . 1 1 30 30 VAL CB C 30 31.500 31.500 31.223 0.277 25493 4768 1 11 . 1 1 30 30 VAL H H 30 7.910 7.910 7.827 0.083 25493 4769 1 11 . 1 1 31 31 ALA N N 31 120.600 120.600 122.264 -1.664 25493 4770 1 11 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.461 -0.331 25493 4771 1 11 . 1 1 31 31 ALA C C 31 180.300 180.300 179.327 0.973 25493 4772 1 11 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.499 -0.199 25493 4773 1 11 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.813 0.087 25493 4774 1 11 . 1 1 31 31 ALA H H 31 7.270 7.270 8.047 -0.777 25493 4775 1 11 . 1 1 32 32 VAL N N 32 117.900 117.900 116.959 0.941 25493 4776 1 11 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.870 -0.490 25493 4777 1 11 . 1 1 32 32 VAL C C 32 177.700 177.700 176.559 1.141 25493 4778 1 11 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.213 3.487 25493 4779 1 11 . 1 1 32 32 VAL CB C 32 30.900 30.900 31.918 -1.018 25493 4780 1 11 . 1 1 32 32 VAL H H 32 7.640 7.640 7.485 0.155 25493 4781 1 11 . 1 1 33 33 LEU N N 33 119.900 119.900 119.716 0.184 25493 4782 1 11 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.352 -0.442 25493 4783 1 11 . 1 1 33 33 LEU C C 33 179.900 179.900 178.276 1.624 25493 4784 1 11 . 1 1 33 33 LEU CA C 33 58.300 58.300 56.987 1.312 25493 4785 1 11 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.963 -1.263 25493 4786 1 11 . 1 1 33 33 LEU H H 33 8.450 8.450 7.668 0.782 25493 4787 1 11 . 1 1 34 34 GLU N N 34 121.200 121.200 120.846 0.354 25493 4788 1 11 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.013 0.047 25493 4789 1 11 . 1 1 34 34 GLU C C 34 179.800 179.800 179.110 0.690 25493 4790 1 11 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.814 -0.014 25493 4791 1 11 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.429 -0.129 25493 4792 1 11 . 1 1 34 34 GLU H H 34 8.080 8.080 7.777 0.303 25493 4793 1 11 . 1 1 35 35 VAL N N 35 122.400 122.400 120.376 2.024 25493 4794 1 11 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.770 -0.170 25493 4795 1 11 . 1 1 35 35 VAL C C 35 177.900 177.900 177.007 0.893 25493 4796 1 11 . 1 1 35 35 VAL CA C 35 67.100 67.100 66.162 0.938 25493 4797 1 11 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.845 -0.945 25493 4798 1 11 . 1 1 35 35 VAL H H 35 8.060 8.060 7.541 0.519 25493 4799 1 11 . 1 1 36 36 ILE N N 36 119.800 119.800 119.009 0.791 25493 4800 1 11 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.835 -0.275 25493 4801 1 11 . 1 1 36 36 ILE C C 36 177.500 177.500 178.199 -0.699 25493 4802 1 11 . 1 1 36 36 ILE CA C 36 64.200 64.200 64.137 0.063 25493 4803 1 11 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.805 -0.505 25493 4804 1 11 . 1 1 36 36 ILE H H 36 8.420 8.420 7.214 1.206 25493 4805 1 11 . 1 1 37 37 SER N N 37 114.700 114.700 113.922 0.778 25493 4806 1 11 . 1 1 37 37 SER HA H 37 4.290 4.290 4.203 0.087 25493 4807 1 11 . 1 1 37 37 SER C C 37 177.300 177.300 175.256 2.044 25493 4808 1 11 . 1 1 37 37 SER CA C 37 61.900 61.900 60.596 1.304 25493 4809 1 11 . 1 1 37 37 SER CB C 37 63.100 63.100 62.834 0.266 25493 4810 1 11 . 1 1 37 37 SER H H 37 8.430 8.430 8.278 0.152 25493 4811 1 11 . 1 1 38 38 SER N N 38 117.200 117.200 115.991 1.209 25493 4812 1 11 . 1 1 38 38 SER HA H 38 4.290 4.290 4.488 -0.198 25493 4813 1 11 . 1 1 38 38 SER C C 38 176.700 176.700 176.408 0.292 25493 4814 1 11 . 1 1 38 38 SER CA C 38 62.500 62.500 61.123 1.377 25493 4815 1 11 . 1 1 38 38 SER CB C 38 63.100 63.100 63.967 -0.867 25493 4816 1 11 . 1 1 38 38 SER H H 38 8.200 8.200 7.454 0.746 25493 4817 1 11 . 1 1 39 39 LEU N N 39 121.600 121.600 122.821 -1.221 25493 4818 1 11 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.328 0.042 25493 4819 1 11 . 1 1 39 39 LEU C C 39 178.700 178.700 178.575 0.125 25493 4820 1 11 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.169 -0.069 25493 4821 1 11 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.824 0.976 25493 4822 1 11 . 1 1 39 39 LEU H H 39 8.150 8.150 8.584 -0.434 25493 4823 1 11 . 1 1 40 40 GLU N N 40 118.600 118.600 119.300 -0.700 25493 4824 1 11 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.261 -0.361 25493 4825 1 11 . 1 1 40 40 GLU C C 40 178.100 178.100 176.930 1.170 25493 4826 1 11 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.619 0.081 25493 4827 1 11 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.221 1.079 25493 4828 1 11 . 1 1 40 40 GLU H H 40 8.190 8.190 8.530 -0.340 25493 4829 1 11 . 1 1 41 41 LYS N N 41 116.300 116.300 116.736 -0.436 25493 4830 1 11 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.454 -0.224 25493 4831 1 11 . 1 1 41 41 LYS C C 41 175.800 175.800 175.451 0.349 25493 4832 1 11 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.662 0.938 25493 4833 1 11 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.339 0.261 25493 4834 1 11 . 1 1 41 41 LYS H H 41 7.440 7.440 7.457 -0.017 25493 4835 1 11 . 1 1 42 42 TYR N N 42 121.400 121.400 123.148 -1.748 25493 4836 1 11 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.820 0.040 25493 4837 1 11 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.989 -0.589 25493 4838 1 11 . 1 1 42 42 TYR CB C 42 39.600 39.600 41.500 -1.900 25493 4839 1 11 . 1 1 42 42 TYR H H 42 7.730 7.730 7.960 -0.230 25493 4840 1 11 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.582 0.178 25493 4841 1 11 . 1 1 43 43 PRO C C 43 175.800 175.800 175.606 0.194 25493 4842 1 11 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.648 -0.148 25493 4843 1 11 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.715 -0.415 25493 4844 1 11 . 1 1 44 44 ILE N N 44 124.000 124.000 124.375 -0.375 25493 4845 1 11 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.123 0.347 25493 4846 1 11 . 1 1 44 44 ILE C C 44 174.300 174.300 176.385 -2.085 25493 4847 1 11 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.666 -1.366 25493 4848 1 11 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.963 2.737 25493 4849 1 11 . 1 1 44 44 ILE H H 44 8.200 8.200 7.955 0.245 25493 4850 1 11 . 1 1 45 45 THR N N 45 112.200 112.200 115.887 -3.687 25493 4851 1 11 . 1 1 45 45 THR HA H 45 4.530 4.530 4.668 -0.138 25493 4852 1 11 . 1 1 45 45 THR C C 45 175.100 175.100 175.009 0.091 25493 4853 1 11 . 1 1 45 45 THR CA C 45 59.800 59.800 60.127 -0.327 25493 4854 1 11 . 1 1 45 45 THR CB C 45 72.300 72.300 71.167 1.133 25493 4855 1 11 . 1 1 45 45 THR H H 45 7.330 7.330 8.045 -0.715 25493 4856 1 11 . 1 1 46 46 LYS N N 46 121.500 121.500 125.697 -4.197 25493 4857 1 11 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.797 -0.057 25493 4858 1 11 . 1 1 46 46 LYS C C 46 178.200 178.200 178.634 -0.434 25493 4859 1 11 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.414 0.586 25493 4860 1 11 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.838 0.662 25493 4861 1 11 . 1 1 46 46 LYS H H 46 9.090 9.090 8.920 0.170 25493 4862 1 11 . 1 1 47 47 GLU N N 47 118.400 118.400 118.598 -0.198 25493 4863 1 11 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.041 -0.021 25493 4864 1 11 . 1 1 47 47 GLU C C 47 179.000 179.000 177.557 1.443 25493 4865 1 11 . 1 1 47 47 GLU CA C 47 60.800 60.800 58.601 2.199 25493 4866 1 11 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.324 -0.624 25493 4867 1 11 . 1 1 47 47 GLU H H 47 9.010 9.010 8.671 0.339 25493 4868 1 11 . 1 1 48 48 ALA N N 48 122.300 122.300 120.529 1.771 25493 4869 1 11 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.231 0.039 25493 4870 1 11 . 1 1 48 48 ALA C C 48 181.900 181.900 178.989 2.911 25493 4871 1 11 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.840 1.060 25493 4872 1 11 . 1 1 48 48 ALA CB C 48 18.800 18.800 20.040 -1.240 25493 4873 1 11 . 1 1 48 48 ALA H H 48 7.860 7.860 7.602 0.258 25493 4874 1 11 . 1 1 49 49 LEU N N 49 122.200 122.200 122.058 0.142 25493 4875 1 11 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.045 -0.465 25493 4876 1 11 . 1 1 49 49 LEU C C 49 179.800 179.800 177.817 1.983 25493 4877 1 11 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.749 0.951 25493 4878 1 11 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.555 -0.255 25493 4879 1 11 . 1 1 49 49 LEU H H 49 8.260 8.260 8.460 -0.200 25493 4880 1 11 . 1 1 50 50 GLU N N 50 120.400 120.400 117.157 3.243 25493 4881 1 11 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.055 -0.015 25493 4882 1 11 . 1 1 50 50 GLU C C 50 178.900 178.900 178.686 0.214 25493 4883 1 11 . 1 1 50 50 GLU CA C 50 59.200 59.200 58.745 0.455 25493 4884 1 11 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.146 0.054 25493 4885 1 11 . 1 1 50 50 GLU H H 50 8.120 8.120 8.369 -0.249 25493 4886 1 11 . 1 1 51 51 GLU N N 51 118.500 118.500 121.137 -2.637 25493 4887 1 11 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.187 -0.137 25493 4888 1 11 . 1 1 51 51 GLU C C 51 178.800 178.800 178.249 0.551 25493 4889 1 11 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.831 0.369 25493 4890 1 11 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.750 0.550 25493 4891 1 11 . 1 1 51 51 GLU H H 51 8.200 8.200 8.163 0.037 25493 4892 1 11 . 1 1 52 52 THR N N 52 104.700 104.700 110.387 -5.687 25493 4893 1 11 . 1 1 52 52 THR HA H 52 4.090 4.090 4.327 -0.237 25493 4894 1 11 . 1 1 52 52 THR C C 52 175.400 175.400 174.849 0.551 25493 4895 1 11 . 1 1 52 52 THR CA C 52 63.100 63.100 62.048 1.052 25493 4896 1 11 . 1 1 52 52 THR CB C 52 71.800 71.800 69.328 2.473 25493 4897 1 11 . 1 1 52 52 THR H H 52 7.840 7.840 8.152 -0.312 25493 4898 1 11 . 1 1 53 53 ARG N N 53 114.400 114.400 118.580 -4.180 25493 4899 1 11 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.974 0.136 25493 4900 1 11 . 1 1 53 53 ARG C C 53 177.200 177.200 176.331 0.869 25493 4901 1 11 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.978 0.322 25493 4902 1 11 . 1 1 53 53 ARG CB C 53 27.500 27.500 28.298 -0.798 25493 4903 1 11 . 1 1 53 53 ARG H H 53 7.680 7.680 8.108 -0.428 25493 4904 1 11 . 1 1 54 54 LEU N N 54 117.200 117.200 119.667 -2.467 25493 4905 1 11 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.191 -0.381 25493 4906 1 11 . 1 1 54 54 LEU C C 54 178.200 178.200 178.171 0.029 25493 4907 1 11 . 1 1 54 54 LEU CA C 54 58.700 58.700 57.828 0.872 25493 4908 1 11 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.364 2.036 25493 4909 1 11 . 1 1 54 54 LEU H H 54 7.460 7.460 7.845 -0.385 25493 4910 1 11 . 1 1 55 55 GLY N N 55 105.900 105.900 106.098 -0.198 25493 4911 1 11 . 1 1 55 55 GLY C C 55 175.500 175.500 176.096 -0.596 25493 4912 1 11 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.162 0.038 25493 4913 1 11 . 1 1 55 55 GLY H H 55 8.650 8.650 8.407 0.243 25493 4914 1 11 . 1 1 56 56 LYS N N 56 123.300 123.300 122.011 1.289 25493 4915 1 11 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.065 0.045 25493 4916 1 11 . 1 1 56 56 LYS C C 56 178.300 178.300 178.724 -0.424 25493 4917 1 11 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.794 0.407 25493 4918 1 11 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.062 0.438 25493 4919 1 11 . 1 1 56 56 LYS H H 56 7.210 7.210 7.778 -0.568 25493 4920 1 11 . 1 1 57 57 LEU N N 57 117.700 117.700 120.266 -2.566 25493 4921 1 11 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.183 -0.003 25493 4922 1 11 . 1 1 57 57 LEU C C 57 179.600 179.600 178.887 0.713 25493 4923 1 11 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.558 0.142 25493 4924 1 11 . 1 1 57 57 LEU CB C 57 43.400 43.400 42.276 1.124 25493 4925 1 11 . 1 1 57 57 LEU H H 57 7.900 7.900 7.567 0.333 25493 4926 1 11 . 1 1 58 58 ILE N N 58 116.600 116.600 119.740 -3.140 25493 4927 1 11 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.661 0.019 25493 4928 1 11 . 1 1 58 58 ILE C C 58 177.900 177.900 177.928 -0.028 25493 4929 1 11 . 1 1 58 58 ILE CA C 58 63.100 63.100 64.262 -1.162 25493 4930 1 11 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.604 -0.804 25493 4931 1 11 . 1 1 58 58 ILE H H 58 8.640 8.640 7.910 0.730 25493 4932 1 11 . 1 1 59 59 ASN N N 59 119.600 119.600 119.125 0.475 25493 4933 1 11 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.441 -0.071 25493 4934 1 11 . 1 1 59 59 ASN C C 59 176.700 176.700 177.469 -0.769 25493 4935 1 11 . 1 1 59 59 ASN CA C 59 57.000 57.000 56.761 0.239 25493 4936 1 11 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.308 0.192 25493 4937 1 11 . 1 1 59 59 ASN H H 59 8.120 8.120 8.500 -0.380 25493 4938 1 11 . 1 1 60 60 ASP N N 60 119.600 119.600 120.184 -0.584 25493 4939 1 11 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.486 -0.106 25493 4940 1 11 . 1 1 60 60 ASP C C 60 179.400 179.400 178.511 0.889 25493 4941 1 11 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.981 0.619 25493 4942 1 11 . 1 1 60 60 ASP CB C 60 39.600 39.600 40.779 -1.179 25493 4943 1 11 . 1 1 60 60 ASP H H 60 8.490 8.490 7.797 0.693 25493 4944 1 11 . 1 1 61 61 VAL N N 61 118.700 118.700 120.696 -1.996 25493 4945 1 11 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.870 -0.120 25493 4946 1 11 . 1 1 61 61 VAL C C 61 179.000 179.000 177.334 1.666 25493 4947 1 11 . 1 1 61 61 VAL CA C 61 65.800 65.800 64.745 1.055 25493 4948 1 11 . 1 1 61 61 VAL CB C 61 32.500 32.500 31.655 0.845 25493 4949 1 11 . 1 1 61 61 VAL H H 61 7.930 7.930 8.240 -0.310 25493 4950 1 11 . 1 1 62 62 ARG N N 62 120.900 120.900 118.824 2.076 25493 4951 1 11 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.270 -0.620 25493 4952 1 11 . 1 1 62 62 ARG C C 62 177.100 177.100 177.442 -0.342 25493 4953 1 11 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.259 0.941 25493 4954 1 11 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.907 -0.107 25493 4955 1 11 . 1 1 62 62 ARG H H 62 8.620 8.620 7.780 0.840 25493 4956 1 11 . 1 1 63 63 LYS N N 63 115.700 115.700 118.224 -2.524 25493 4957 1 11 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.195 -0.265 25493 4958 1 11 . 1 1 63 63 LYS C C 63 177.600 177.600 177.786 -0.186 25493 4959 1 11 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.594 1.606 25493 4960 1 11 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.315 0.685 25493 4961 1 11 . 1 1 63 63 LYS H H 63 7.940 7.940 7.559 0.381 25493 4962 1 11 . 1 1 64 64 LYS N N 64 115.300 115.300 119.442 -4.142 25493 4963 1 11 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.307 0.123 25493 4964 1 11 . 1 1 64 64 LYS C C 64 176.900 176.900 176.706 0.194 25493 4965 1 11 . 1 1 64 64 LYS CA C 64 55.400 55.400 57.324 -1.924 25493 4966 1 11 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.706 0.393 25493 4967 1 11 . 1 1 64 64 LYS H H 64 7.130 7.130 7.750 -0.620 25493 4968 1 11 . 1 1 65 65 THR N N 65 113.500 113.500 112.479 1.021 25493 4969 1 11 . 1 1 65 65 THR HA H 65 4.520 4.520 4.626 -0.106 25493 4970 1 11 . 1 1 65 65 THR C C 65 173.200 173.200 172.614 0.586 25493 4971 1 11 . 1 1 65 65 THR CA C 65 62.000 62.000 60.741 1.259 25493 4972 1 11 . 1 1 65 65 THR CB C 65 69.600 69.600 69.920 -0.320 25493 4973 1 11 . 1 1 65 65 THR H H 65 7.250 7.250 7.941 -0.691 25493 4974 1 11 . 1 1 66 66 LYS N N 66 125.700 125.700 121.764 3.936 25493 4975 1 11 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.588 -0.078 25493 4976 1 11 . 1 1 66 66 LYS C C 66 175.900 175.900 175.335 0.565 25493 4977 1 11 . 1 1 66 66 LYS CA C 66 55.400 55.400 55.326 0.074 25493 4978 1 11 . 1 1 66 66 LYS CB C 66 32.000 32.000 31.706 0.294 25493 4979 1 11 . 1 1 66 66 LYS H H 66 8.500 8.500 8.450 0.050 25493 4980 1 11 . 1 1 67 67 ASN N N 67 122.100 122.100 120.566 1.534 25493 4981 1 11 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.481 0.209 25493 4982 1 11 . 1 1 67 67 ASN C C 67 174.400 174.400 176.631 -2.231 25493 4983 1 11 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.478 -0.278 25493 4984 1 11 . 1 1 67 67 ASN CB C 67 39.000 39.000 38.391 0.609 25493 4985 1 11 . 1 1 67 67 ASN H H 67 8.570 8.570 8.227 0.343 25493 4986 1 11 . 1 1 68 68 GLU N N 68 128.400 128.400 124.567 3.833 25493 4987 1 11 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.877 0.113 25493 4988 1 11 . 1 1 68 68 GLU C C 68 178.500 178.500 177.724 0.776 25493 4989 1 11 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.337 -0.037 25493 4990 1 11 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.410 0.390 25493 4991 1 11 . 1 1 68 68 GLU H H 68 8.850 8.850 8.882 -0.032 25493 4992 1 11 . 1 1 69 69 GLU N N 69 120.300 120.300 118.749 1.551 25493 4993 1 11 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.351 -0.321 25493 4994 1 11 . 1 1 69 69 GLU C C 69 179.000 179.000 178.355 0.645 25493 4995 1 11 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.378 1.822 25493 4996 1 11 . 1 1 69 69 GLU CB C 69 29.200 29.200 29.352 -0.152 25493 4997 1 11 . 1 1 69 69 GLU H H 69 8.190 8.190 8.235 -0.045 25493 4998 1 11 . 1 1 70 70 LEU N N 70 121.300 121.300 121.433 -0.133 25493 4999 1 11 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.159 -0.289 25493 5000 1 11 . 1 1 70 70 LEU C C 70 178.500 178.500 178.474 0.026 25493 5001 1 11 . 1 1 70 70 LEU CA C 70 58.200 58.200 56.775 1.425 25493 5002 1 11 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.427 -0.727 25493 5003 1 11 . 1 1 70 70 LEU H H 70 8.120 8.120 7.926 0.194 25493 5004 1 11 . 1 1 71 71 ALA N N 71 121.000 121.000 120.593 0.407 25493 5005 1 11 . 1 1 71 71 ALA HA H 71 3.740 3.740 4.026 -0.286 25493 5006 1 11 . 1 1 71 71 ALA C C 71 180.100 180.100 178.179 1.921 25493 5007 1 11 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.191 1.308 25493 5008 1 11 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.694 -0.994 25493 5009 1 11 . 1 1 71 71 ALA H H 71 8.330 8.330 8.683 -0.353 25493 5010 1 11 . 1 1 72 72 LYS N N 72 118.200 118.200 114.081 4.119 25493 5011 1 11 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.454 -0.494 25493 5012 1 11 . 1 1 72 72 LYS C C 72 179.800 179.800 177.717 2.083 25493 5013 1 11 . 1 1 72 72 LYS CA C 72 59.800 59.800 56.909 2.891 25493 5014 1 11 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.545 -0.045 25493 5015 1 11 . 1 1 72 72 LYS H H 72 8.150 8.150 7.807 0.343 25493 5016 1 11 . 1 1 73 73 ARG N N 73 120.600 120.600 120.786 -0.186 25493 5017 1 11 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.181 -0.191 25493 5018 1 11 . 1 1 73 73 ARG C C 73 180.100 180.100 177.353 2.747 25493 5019 1 11 . 1 1 73 73 ARG CA C 73 59.300 59.300 58.364 0.936 25493 5020 1 11 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.633 1.367 25493 5021 1 11 . 1 1 73 73 ARG H H 73 8.140 8.140 8.562 -0.422 25493 5022 1 11 . 1 1 74 74 ALA N N 74 121.700 121.700 122.512 -0.812 25493 5023 1 11 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.062 -0.282 25493 5024 1 11 . 1 1 74 74 ALA C C 74 178.100 178.100 179.445 -1.345 25493 5025 1 11 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.633 -0.733 25493 5026 1 11 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.343 -1.143 25493 5027 1 11 . 1 1 74 74 ALA H H 74 8.970 8.970 7.858 1.112 25493 5028 1 11 . 1 1 75 75 LYS N N 75 117.900 117.900 115.298 2.602 25493 5029 1 11 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.174 -0.434 25493 5030 1 11 . 1 1 75 75 LYS C C 75 178.300 178.300 177.190 1.110 25493 5031 1 11 . 1 1 75 75 LYS CA C 75 60.300 60.300 57.971 2.329 25493 5032 1 11 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.230 0.270 25493 5033 1 11 . 1 1 75 75 LYS H H 75 8.200 8.200 8.113 0.087 25493 5034 1 11 . 1 1 76 76 LYS N N 76 118.800 118.800 119.212 -0.412 25493 5035 1 11 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.176 -0.286 25493 5036 1 11 . 1 1 76 76 LYS C C 76 179.200 179.200 177.845 1.355 25493 5037 1 11 . 1 1 76 76 LYS CA C 76 59.800 59.800 58.404 1.396 25493 5038 1 11 . 1 1 76 76 LYS CB C 76 32.400 32.400 33.115 -0.715 25493 5039 1 11 . 1 1 76 76 LYS H H 76 7.630 7.630 7.350 0.280 25493 5040 1 11 . 1 1 77 77 LEU N N 77 121.400 121.400 120.376 1.024 25493 5041 1 11 . 1 1 77 77 LEU HA H 77 3.630 3.630 4.027 -0.397 25493 5042 1 11 . 1 1 77 77 LEU C C 77 178.200 178.200 178.527 -0.327 25493 5043 1 11 . 1 1 77 77 LEU CA C 77 57.600 57.600 56.717 0.883 25493 5044 1 11 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.295 -0.495 25493 5045 1 11 . 1 1 77 77 LEU H H 77 7.430 7.430 8.220 -0.790 25493 5046 1 11 . 1 1 78 78 LEU N N 78 117.600 117.600 120.265 -2.665 25493 5047 1 11 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.770 -0.010 25493 5048 1 11 . 1 1 78 78 LEU C C 78 180.300 180.300 178.458 1.842 25493 5049 1 11 . 1 1 78 78 LEU CA C 78 58.100 58.100 58.129 -0.029 25493 5050 1 11 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.783 0.417 25493 5051 1 11 . 1 1 78 78 LEU H H 78 7.960 7.960 7.463 0.497 25493 5052 1 11 . 1 1 79 79 ARG N N 79 119.800 119.800 116.678 3.122 25493 5053 1 11 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.874 0.236 25493 5054 1 11 . 1 1 79 79 ARG C C 79 179.500 179.500 178.825 0.675 25493 5055 1 11 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.805 0.395 25493 5056 1 11 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.359 0.341 25493 5057 1 11 . 1 1 79 79 ARG H H 79 8.110 8.110 7.914 0.196 25493 5058 1 11 . 1 1 80 80 SER N N 80 117.800 117.800 114.509 3.291 25493 5059 1 11 . 1 1 80 80 SER HA H 80 4.310 4.310 4.131 0.179 25493 5060 1 11 . 1 1 80 80 SER C C 80 177.000 177.000 174.953 2.047 25493 5061 1 11 . 1 1 80 80 SER CA C 80 61.500 61.500 60.121 1.379 25493 5062 1 11 . 1 1 80 80 SER CB C 80 62.500 62.500 62.865 -0.365 25493 5063 1 11 . 1 1 80 80 SER H H 80 7.870 7.870 7.412 0.458 25493 5064 1 11 . 1 1 81 81 TRP N N 81 123.300 123.300 116.671 6.629 25493 5065 1 11 . 1 1 81 81 TRP HA H 81 4.810 4.810 4.984 -0.174 25493 5066 1 11 . 1 1 81 81 TRP C C 81 178.200 178.200 177.156 1.044 25493 5067 1 11 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.872 0.628 25493 5068 1 11 . 1 1 81 81 TRP CB C 81 29.200 29.200 29.135 0.065 25493 5069 1 11 . 1 1 81 81 TRP H H 81 8.010 8.010 7.165 0.845 25493 5070 1 11 . 1 1 82 82 GLN N N 82 120.400 120.400 123.433 -3.033 25493 5071 1 11 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.177 -0.097 25493 5072 1 11 . 1 1 82 82 GLN C C 82 177.600 177.600 176.562 1.038 25493 5073 1 11 . 1 1 82 82 GLN CA C 82 59.200 59.200 58.449 0.751 25493 5074 1 11 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.523 -0.323 25493 5075 1 11 . 1 1 82 82 GLN H H 82 8.080 8.080 8.246 -0.166 25493 5076 1 11 . 1 1 83 83 LYS N N 83 115.600 115.600 117.501 -1.901 25493 5077 1 11 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.249 -0.029 25493 5078 1 11 . 1 1 83 83 LYS C C 83 177.400 177.400 176.388 1.012 25493 5079 1 11 . 1 1 83 83 LYS CA C 83 57.600 57.600 57.589 0.011 25493 5080 1 11 . 1 1 83 83 LYS CB C 83 32.500 32.500 32.349 0.151 25493 5081 1 11 . 1 1 83 83 LYS H H 83 7.770 7.770 8.252 -0.482 25493 5082 1 11 . 1 1 84 84 LEU N N 84 117.900 117.900 118.337 -0.437 25493 5083 1 11 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.543 -0.263 25493 5084 1 11 . 1 1 84 84 LEU C C 84 177.500 177.500 177.498 0.002 25493 5085 1 11 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.184 0.816 25493 5086 1 11 . 1 1 84 84 LEU CB C 84 42.900 42.900 44.229 -1.329 25493 5087 1 11 . 1 1 84 84 LEU H H 84 7.670 7.670 8.058 -0.388 25493 5088 1 11 . 1 1 85 85 ILE N N 85 115.400 115.400 113.440 1.960 25493 5089 1 11 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.504 -0.374 25493 5090 1 11 . 1 1 85 85 ILE C C 85 175.100 175.100 175.196 -0.096 25493 5091 1 11 . 1 1 85 85 ILE CA C 85 61.400 61.400 59.379 2.021 25493 5092 1 11 . 1 1 85 85 ILE CB C 85 39.600 39.600 40.732 -1.132 25493 5093 1 11 . 1 1 85 85 ILE H H 85 7.490 7.490 8.001 -0.511 25493 5094 1 12 . 1 1 7 7 ALA N N 7 123.700 123.700 122.746 0.954 25493 5095 1 12 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.429 -0.009 25493 5096 1 12 . 1 1 7 7 ALA C C 7 176.700 176.700 175.457 1.243 25493 5097 1 12 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.617 -0.017 25493 5098 1 12 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.941 -1.041 25493 5099 1 12 . 1 1 7 7 ALA H H 7 8.040 8.040 7.940 0.100 25493 5100 1 12 . 1 1 8 8 SER N N 8 117.100 117.100 117.001 0.099 25493 5101 1 12 . 1 1 8 8 SER HA H 8 4.750 4.750 4.293 0.457 25493 5102 1 12 . 1 1 8 8 SER CA C 8 56.000 56.000 56.401 -0.401 25493 5103 1 12 . 1 1 8 8 SER CB C 8 63.300 63.300 63.538 -0.238 25493 5104 1 12 . 1 1 8 8 SER H H 8 8.430 8.430 8.363 0.067 25493 5105 1 12 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.947 -0.007 25493 5106 1 12 . 1 1 9 9 PRO C C 9 177.400 177.400 178.119 -0.719 25493 5107 1 12 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.393 0.407 25493 5108 1 12 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.664 0.336 25493 5109 1 12 . 1 1 10 10 GLN N N 10 116.000 116.000 116.778 -0.778 25493 5110 1 12 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.032 -0.372 25493 5111 1 12 . 1 1 10 10 GLN C C 10 177.500 177.500 178.067 -0.567 25493 5112 1 12 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.435 0.865 25493 5113 1 12 . 1 1 10 10 GLN CB C 10 27.500 27.500 28.011 -0.511 25493 5114 1 12 . 1 1 10 10 GLN H H 10 8.350 8.350 8.250 0.100 25493 5115 1 12 . 1 1 11 11 GLN N N 11 119.200 119.200 118.651 0.549 25493 5116 1 12 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.074 0.006 25493 5117 1 12 . 1 1 11 11 GLN C C 11 179.600 179.600 178.289 1.311 25493 5118 1 12 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.580 0.320 25493 5119 1 12 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.202 0.398 25493 5120 1 12 . 1 1 11 11 GLN H H 11 7.680 7.680 7.762 -0.082 25493 5121 1 12 . 1 1 12 12 ILE N N 12 121.300 121.300 114.382 6.918 25493 5122 1 12 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.960 -0.430 25493 5123 1 12 . 1 1 12 12 ILE C C 12 177.200 177.200 177.225 -0.025 25493 5124 1 12 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.652 1.648 25493 5125 1 12 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.547 -0.147 25493 5126 1 12 . 1 1 12 12 ILE H H 12 8.190 8.190 8.042 0.148 25493 5127 1 12 . 1 1 13 13 ARG N N 13 120.200 120.200 121.997 -1.797 25493 5128 1 12 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.937 -0.197 25493 5129 1 12 . 1 1 13 13 ARG C C 13 177.700 177.700 178.054 -0.354 25493 5130 1 12 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.568 0.732 25493 5131 1 12 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.863 -1.663 25493 5132 1 12 . 1 1 13 13 ARG H H 13 8.320 8.320 7.684 0.636 25493 5133 1 12 . 1 1 14 14 ASP N N 14 119.200 119.200 118.017 1.183 25493 5134 1 12 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.534 -0.204 25493 5135 1 12 . 1 1 14 14 ASP C C 14 178.800 178.800 177.061 1.739 25493 5136 1 12 . 1 1 14 14 ASP CA C 14 58.000 58.000 56.074 1.926 25493 5137 1 12 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.274 -0.674 25493 5138 1 12 . 1 1 14 14 ASP H H 14 8.280 8.280 8.132 0.148 25493 5139 1 12 . 1 1 15 15 ARG N N 15 120.400 120.400 118.494 1.906 25493 5140 1 12 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.472 -0.502 25493 5141 1 12 . 1 1 15 15 ARG C C 15 179.300 179.300 177.140 2.160 25493 5142 1 12 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.627 2.573 25493 5143 1 12 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.886 -1.886 25493 5144 1 12 . 1 1 15 15 ARG H H 15 7.980 7.980 7.626 0.354 25493 5145 1 12 . 1 1 16 16 LEU N N 16 120.500 120.500 120.951 -0.451 25493 5146 1 12 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.377 -0.407 25493 5147 1 12 . 1 1 16 16 LEU C C 16 178.500 178.500 177.773 0.727 25493 5148 1 12 . 1 1 16 16 LEU CA C 16 58.100 58.100 57.288 0.812 25493 5149 1 12 . 1 1 16 16 LEU CB C 16 41.200 41.200 42.643 -1.443 25493 5150 1 12 . 1 1 16 16 LEU H H 16 8.210 8.210 8.563 -0.353 25493 5151 1 12 . 1 1 17 17 LEU N N 17 116.100 116.100 120.084 -3.984 25493 5152 1 12 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.144 -0.144 25493 5153 1 12 . 1 1 17 17 LEU C C 17 179.400 179.400 179.214 0.186 25493 5154 1 12 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.972 -0.372 25493 5155 1 12 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.372 0.328 25493 5156 1 12 . 1 1 17 17 LEU H H 17 8.310 8.310 8.346 -0.036 25493 5157 1 12 . 1 1 18 18 GLN N N 18 114.300 114.300 116.777 -2.477 25493 5158 1 12 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.147 0.093 25493 5159 1 12 . 1 1 18 18 GLN C C 18 176.700 176.700 177.941 -1.241 25493 5160 1 12 . 1 1 18 18 GLN CA C 18 57.000 57.000 57.264 -0.264 25493 5161 1 12 . 1 1 18 18 GLN CB C 18 28.800 28.800 27.389 1.411 25493 5162 1 12 . 1 1 18 18 GLN H H 18 7.460 7.460 8.330 -0.870 25493 5163 1 12 . 1 1 19 19 ALA N N 19 120.800 120.800 121.946 -1.146 25493 5164 1 12 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.219 0.271 25493 5165 1 12 . 1 1 19 19 ALA C C 19 176.000 176.000 177.035 -1.035 25493 5166 1 12 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.949 -1.349 25493 5167 1 12 . 1 1 19 19 ALA CB C 19 22.100 22.100 18.960 3.140 25493 5168 1 12 . 1 1 19 19 ALA H H 19 7.770 7.770 7.845 -0.075 25493 5169 1 12 . 1 1 20 20 ILE N N 20 113.500 113.500 111.934 1.566 25493 5170 1 12 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.702 0.498 25493 5171 1 12 . 1 1 20 20 ILE C C 20 173.600 173.600 174.352 -0.752 25493 5172 1 12 . 1 1 20 20 ILE CA C 20 59.200 59.200 58.686 0.514 25493 5173 1 12 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.804 1.996 25493 5174 1 12 . 1 1 20 20 ILE H H 20 7.360 7.360 7.313 0.047 25493 5175 1 12 . 1 1 21 21 ASP N N 21 122.500 122.500 119.292 3.208 25493 5176 1 12 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.102 -0.122 25493 5177 1 12 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.950 0.150 25493 5178 1 12 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.833 -0.633 25493 5179 1 12 . 1 1 21 21 ASP H H 21 8.530 8.530 8.444 0.086 25493 5180 1 12 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.407 0.043 25493 5181 1 12 . 1 1 22 22 PRO C C 22 177.500 177.500 177.472 0.028 25493 5182 1 12 . 1 1 22 22 PRO CA C 22 65.200 65.200 64.503 0.697 25493 5183 1 12 . 1 1 22 22 PRO CB C 22 31.900 31.900 32.230 -0.330 25493 5184 1 12 . 1 1 23 23 GLN N N 23 115.900 115.900 118.290 -2.390 25493 5185 1 12 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.155 0.265 25493 5186 1 12 . 1 1 23 23 GLN C C 23 174.800 174.800 176.325 -1.525 25493 5187 1 12 . 1 1 23 23 GLN CA C 23 55.400 55.400 58.365 -2.965 25493 5188 1 12 . 1 1 23 23 GLN CB C 23 28.700 28.700 29.377 -0.677 25493 5189 1 12 . 1 1 23 23 GLN H H 23 7.950 7.950 8.294 -0.344 25493 5190 1 12 . 1 1 24 24 SER N N 24 107.900 107.900 105.148 2.752 25493 5191 1 12 . 1 1 24 24 SER HA H 24 3.730 3.730 4.539 -0.809 25493 5192 1 12 . 1 1 24 24 SER C C 24 173.200 173.200 174.283 -1.083 25493 5193 1 12 . 1 1 24 24 SER CA C 24 60.300 60.300 57.749 2.551 25493 5194 1 12 . 1 1 24 24 SER CB C 24 60.300 60.300 64.085 -3.785 25493 5195 1 12 . 1 1 24 24 SER H H 24 8.270 8.270 7.598 0.672 25493 5196 1 12 . 1 1 25 25 ASN N N 25 117.000 117.000 121.939 -4.939 25493 5197 1 12 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.724 -0.194 25493 5198 1 12 . 1 1 25 25 ASN C C 25 175.600 175.600 175.099 0.501 25493 5199 1 12 . 1 1 25 25 ASN CA C 25 52.800 52.800 54.393 -1.593 25493 5200 1 12 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.366 -0.866 25493 5201 1 12 . 1 1 25 25 ASN H H 25 8.500 8.500 7.987 0.513 25493 5202 1 12 . 1 1 26 26 ILE N N 26 122.400 122.400 117.407 4.993 25493 5203 1 12 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.165 -0.345 25493 5204 1 12 . 1 1 26 26 ILE C C 26 176.400 176.400 176.575 -0.175 25493 5205 1 12 . 1 1 26 26 ILE CA C 26 63.600 63.600 60.894 2.706 25493 5206 1 12 . 1 1 26 26 ILE CB C 26 38.600 38.600 39.456 -0.856 25493 5207 1 12 . 1 1 26 26 ILE H H 26 8.890 8.890 8.446 0.444 25493 5208 1 12 . 1 1 27 27 ARG N N 27 127.600 127.600 117.885 9.715 25493 5209 1 12 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.831 0.699 25493 5210 1 12 . 1 1 27 27 ARG C C 27 176.000 176.000 176.683 -0.683 25493 5211 1 12 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.967 -2.466 25493 5212 1 12 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.947 2.453 25493 5213 1 12 . 1 1 27 27 ARG H H 27 9.070 9.070 8.412 0.658 25493 5214 1 12 . 1 1 28 28 ASN N N 28 117.300 117.300 119.464 -2.164 25493 5215 1 12 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.921 0.009 25493 5216 1 12 . 1 1 28 28 ASN C C 28 174.300 174.300 175.343 -1.043 25493 5217 1 12 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.843 -0.243 25493 5218 1 12 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.318 0.682 25493 5219 1 12 . 1 1 28 28 ASN H H 28 7.510 7.510 8.302 -0.792 25493 5220 1 12 . 1 1 29 29 MET N N 29 125.700 125.700 122.877 2.823 25493 5221 1 12 . 1 1 29 29 MET HA H 29 4.190 4.190 4.150 0.040 25493 5222 1 12 . 1 1 29 29 MET C C 29 177.300 177.300 176.462 0.838 25493 5223 1 12 . 1 1 29 29 MET CA C 29 57.600 57.600 58.955 -1.355 25493 5224 1 12 . 1 1 29 29 MET CB C 29 31.400 31.400 32.880 -1.480 25493 5225 1 12 . 1 1 29 29 MET H H 29 8.940 8.940 8.080 0.860 25493 5226 1 12 . 1 1 30 30 VAL N N 30 118.600 118.600 113.155 5.445 25493 5227 1 12 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.987 -0.467 25493 5228 1 12 . 1 1 30 30 VAL C C 30 178.800 178.800 175.897 2.903 25493 5229 1 12 . 1 1 30 30 VAL CA C 30 66.900 66.900 63.001 3.899 25493 5230 1 12 . 1 1 30 30 VAL CB C 30 31.500 31.500 29.933 1.567 25493 5231 1 12 . 1 1 30 30 VAL H H 30 7.910 7.910 7.864 0.046 25493 5232 1 12 . 1 1 31 31 ALA N N 31 120.600 120.600 121.977 -1.377 25493 5233 1 12 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.479 -0.349 25493 5234 1 12 . 1 1 31 31 ALA C C 31 180.300 180.300 179.032 1.268 25493 5235 1 12 . 1 1 31 31 ALA CA C 31 54.300 54.300 53.790 0.510 25493 5236 1 12 . 1 1 31 31 ALA CB C 31 18.900 18.900 19.879 -0.979 25493 5237 1 12 . 1 1 31 31 ALA H H 31 7.270 7.270 7.766 -0.496 25493 5238 1 12 . 1 1 32 32 VAL N N 32 117.900 117.900 120.459 -2.559 25493 5239 1 12 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.833 -0.453 25493 5240 1 12 . 1 1 32 32 VAL C C 32 177.700 177.700 176.975 0.725 25493 5241 1 12 . 1 1 32 32 VAL CA C 32 67.700 67.700 65.545 2.155 25493 5242 1 12 . 1 1 32 32 VAL CB C 32 30.900 30.900 31.807 -0.907 25493 5243 1 12 . 1 1 32 32 VAL H H 32 7.640 7.640 7.571 0.069 25493 5244 1 12 . 1 1 33 33 LEU N N 33 119.900 119.900 118.532 1.368 25493 5245 1 12 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.147 -0.237 25493 5246 1 12 . 1 1 33 33 LEU C C 33 179.900 179.900 177.582 2.318 25493 5247 1 12 . 1 1 33 33 LEU CA C 33 58.300 58.300 57.196 1.104 25493 5248 1 12 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.882 -1.182 25493 5249 1 12 . 1 1 33 33 LEU H H 33 8.450 8.450 8.245 0.205 25493 5250 1 12 . 1 1 34 34 GLU N N 34 121.200 121.200 118.508 2.692 25493 5251 1 12 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.221 -0.161 25493 5252 1 12 . 1 1 34 34 GLU C C 34 179.800 179.800 178.916 0.884 25493 5253 1 12 . 1 1 34 34 GLU CA C 34 59.800 59.800 58.839 0.961 25493 5254 1 12 . 1 1 34 34 GLU CB C 34 29.300 29.300 30.075 -0.774 25493 5255 1 12 . 1 1 34 34 GLU H H 34 8.080 8.080 7.403 0.677 25493 5256 1 12 . 1 1 35 35 VAL N N 35 122.400 122.400 121.655 0.745 25493 5257 1 12 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.706 -0.106 25493 5258 1 12 . 1 1 35 35 VAL C C 35 177.900 177.900 177.471 0.429 25493 5259 1 12 . 1 1 35 35 VAL CA C 35 67.100 67.100 66.121 0.979 25493 5260 1 12 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.736 -0.836 25493 5261 1 12 . 1 1 35 35 VAL H H 35 8.060 8.060 7.663 0.397 25493 5262 1 12 . 1 1 36 36 ILE N N 36 119.800 119.800 119.795 0.005 25493 5263 1 12 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.717 -0.157 25493 5264 1 12 . 1 1 36 36 ILE C C 36 177.500 177.500 177.807 -0.307 25493 5265 1 12 . 1 1 36 36 ILE CA C 36 64.200 64.200 64.536 -0.336 25493 5266 1 12 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.668 -0.368 25493 5267 1 12 . 1 1 36 36 ILE H H 36 8.420 8.420 7.576 0.844 25493 5268 1 12 . 1 1 37 37 SER N N 37 114.700 114.700 112.924 1.776 25493 5269 1 12 . 1 1 37 37 SER HA H 37 4.290 4.290 4.331 -0.041 25493 5270 1 12 . 1 1 37 37 SER C C 37 177.300 177.300 174.974 2.326 25493 5271 1 12 . 1 1 37 37 SER CA C 37 61.900 61.900 59.273 2.627 25493 5272 1 12 . 1 1 37 37 SER CB C 37 63.100 63.100 62.695 0.405 25493 5273 1 12 . 1 1 37 37 SER H H 37 8.430 8.430 7.978 0.452 25493 5274 1 12 . 1 1 38 38 SER N N 38 117.200 117.200 115.961 1.239 25493 5275 1 12 . 1 1 38 38 SER HA H 38 4.290 4.290 4.532 -0.242 25493 5276 1 12 . 1 1 38 38 SER C C 38 176.700 176.700 176.322 0.378 25493 5277 1 12 . 1 1 38 38 SER CA C 38 62.500 62.500 60.714 1.786 25493 5278 1 12 . 1 1 38 38 SER CB C 38 63.100 63.100 64.180 -1.081 25493 5279 1 12 . 1 1 38 38 SER H H 38 8.200 8.200 7.708 0.492 25493 5280 1 12 . 1 1 39 39 LEU N N 39 121.600 121.600 123.931 -2.331 25493 5281 1 12 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.015 0.355 25493 5282 1 12 . 1 1 39 39 LEU C C 39 178.700 178.700 179.152 -0.452 25493 5283 1 12 . 1 1 39 39 LEU CA C 39 57.100 57.100 58.509 -1.409 25493 5284 1 12 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.296 1.504 25493 5285 1 12 . 1 1 39 39 LEU H H 39 8.150 8.150 8.593 -0.443 25493 5286 1 12 . 1 1 40 40 GLU N N 40 118.600 118.600 116.532 2.068 25493 5287 1 12 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.251 -0.351 25493 5288 1 12 . 1 1 40 40 GLU C C 40 178.100 178.100 177.460 0.640 25493 5289 1 12 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.880 -0.180 25493 5290 1 12 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.340 0.960 25493 5291 1 12 . 1 1 40 40 GLU H H 40 8.190 8.190 8.285 -0.095 25493 5292 1 12 . 1 1 41 41 LYS N N 41 116.300 116.300 116.458 -0.158 25493 5293 1 12 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.383 -0.153 25493 5294 1 12 . 1 1 41 41 LYS C C 41 175.800 175.800 176.397 -0.597 25493 5295 1 12 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.682 0.918 25493 5296 1 12 . 1 1 41 41 LYS CB C 41 33.600 33.600 32.612 0.988 25493 5297 1 12 . 1 1 41 41 LYS H H 41 7.440 7.440 7.747 -0.307 25493 5298 1 12 . 1 1 42 42 TYR N N 42 121.400 121.400 124.762 -3.362 25493 5299 1 12 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.727 0.133 25493 5300 1 12 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.471 -0.071 25493 5301 1 12 . 1 1 42 42 TYR CB C 42 39.600 39.600 39.397 0.203 25493 5302 1 12 . 1 1 42 42 TYR H H 42 7.730 7.730 7.783 -0.053 25493 5303 1 12 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.509 0.251 25493 5304 1 12 . 1 1 43 43 PRO C C 43 175.800 175.800 175.471 0.329 25493 5305 1 12 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.757 -0.257 25493 5306 1 12 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.357 -0.057 25493 5307 1 12 . 1 1 44 44 ILE N N 44 124.000 124.000 124.665 -0.665 25493 5308 1 12 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.120 0.350 25493 5309 1 12 . 1 1 44 44 ILE C C 44 174.300 174.300 176.193 -1.893 25493 5310 1 12 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.706 -1.406 25493 5311 1 12 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.803 2.897 25493 5312 1 12 . 1 1 44 44 ILE H H 44 8.200 8.200 8.025 0.175 25493 5313 1 12 . 1 1 45 45 THR N N 45 112.200 112.200 118.406 -6.206 25493 5314 1 12 . 1 1 45 45 THR HA H 45 4.530 4.530 4.809 -0.279 25493 5315 1 12 . 1 1 45 45 THR C C 45 175.100 175.100 175.173 -0.073 25493 5316 1 12 . 1 1 45 45 THR CA C 45 59.800 59.800 59.981 -0.181 25493 5317 1 12 . 1 1 45 45 THR CB C 45 72.300 72.300 71.666 0.634 25493 5318 1 12 . 1 1 45 45 THR H H 45 7.330 7.330 7.488 -0.158 25493 5319 1 12 . 1 1 46 46 LYS N N 46 121.500 121.500 123.050 -1.550 25493 5320 1 12 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.843 -0.103 25493 5321 1 12 . 1 1 46 46 LYS C C 46 178.200 178.200 178.482 -0.282 25493 5322 1 12 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.414 0.586 25493 5323 1 12 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.878 0.622 25493 5324 1 12 . 1 1 46 46 LYS H H 46 9.090 9.090 8.727 0.363 25493 5325 1 12 . 1 1 47 47 GLU N N 47 118.400 118.400 118.549 -0.149 25493 5326 1 12 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.011 0.009 25493 5327 1 12 . 1 1 47 47 GLU C C 47 179.000 179.000 178.544 0.456 25493 5328 1 12 . 1 1 47 47 GLU CA C 47 60.800 60.800 59.271 1.529 25493 5329 1 12 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.152 -0.452 25493 5330 1 12 . 1 1 47 47 GLU H H 47 9.010 9.010 8.800 0.210 25493 5331 1 12 . 1 1 48 48 ALA N N 48 122.300 122.300 120.434 1.866 25493 5332 1 12 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.241 0.029 25493 5333 1 12 . 1 1 48 48 ALA C C 48 181.900 181.900 178.855 3.045 25493 5334 1 12 . 1 1 48 48 ALA CA C 48 54.900 54.900 54.338 0.562 25493 5335 1 12 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.101 -0.301 25493 5336 1 12 . 1 1 48 48 ALA H H 48 7.860 7.860 7.374 0.486 25493 5337 1 12 . 1 1 49 49 LEU N N 49 122.200 122.200 121.534 0.666 25493 5338 1 12 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.144 -0.564 25493 5339 1 12 . 1 1 49 49 LEU C C 49 179.800 179.800 178.360 1.440 25493 5340 1 12 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.406 1.294 25493 5341 1 12 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.446 -0.146 25493 5342 1 12 . 1 1 49 49 LEU H H 49 8.260 8.260 7.975 0.285 25493 5343 1 12 . 1 1 50 50 GLU N N 50 120.400 120.400 118.134 2.266 25493 5344 1 12 . 1 1 50 50 GLU HA H 50 4.040 4.040 3.960 0.080 25493 5345 1 12 . 1 1 50 50 GLU C C 50 178.900 178.900 178.715 0.185 25493 5346 1 12 . 1 1 50 50 GLU CA C 50 59.200 59.200 59.573 -0.373 25493 5347 1 12 . 1 1 50 50 GLU CB C 50 29.200 29.200 28.743 0.457 25493 5348 1 12 . 1 1 50 50 GLU H H 50 8.120 8.120 8.668 -0.548 25493 5349 1 12 . 1 1 51 51 GLU N N 51 118.500 118.500 120.514 -2.014 25493 5350 1 12 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.130 -0.080 25493 5351 1 12 . 1 1 51 51 GLU C C 51 178.800 178.800 178.316 0.484 25493 5352 1 12 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.963 0.237 25493 5353 1 12 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.355 0.945 25493 5354 1 12 . 1 1 51 51 GLU H H 51 8.200 8.200 8.100 0.100 25493 5355 1 12 . 1 1 52 52 THR N N 52 104.700 104.700 109.375 -4.675 25493 5356 1 12 . 1 1 52 52 THR HA H 52 4.090 4.090 4.397 -0.307 25493 5357 1 12 . 1 1 52 52 THR C C 52 175.400 175.400 174.385 1.015 25493 5358 1 12 . 1 1 52 52 THR CA C 52 63.100 63.100 62.273 0.827 25493 5359 1 12 . 1 1 52 52 THR CB C 52 71.800 71.800 70.009 1.791 25493 5360 1 12 . 1 1 52 52 THR H H 52 7.840 7.840 7.643 0.197 25493 5361 1 12 . 1 1 53 53 ARG N N 53 114.400 114.400 118.614 -4.214 25493 5362 1 12 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.927 0.183 25493 5363 1 12 . 1 1 53 53 ARG C C 53 177.200 177.200 176.528 0.672 25493 5364 1 12 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.625 0.675 25493 5365 1 12 . 1 1 53 53 ARG CB C 53 27.500 27.500 27.020 0.480 25493 5366 1 12 . 1 1 53 53 ARG H H 53 7.680 7.680 7.663 0.017 25493 5367 1 12 . 1 1 54 54 LEU N N 54 117.200 117.200 119.776 -2.576 25493 5368 1 12 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.120 -0.310 25493 5369 1 12 . 1 1 54 54 LEU C C 54 178.200 178.200 178.411 -0.211 25493 5370 1 12 . 1 1 54 54 LEU CA C 54 58.700 58.700 58.149 0.551 25493 5371 1 12 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.476 1.924 25493 5372 1 12 . 1 1 54 54 LEU H H 54 7.460 7.460 7.745 -0.285 25493 5373 1 12 . 1 1 55 55 GLY N N 55 105.900 105.900 105.658 0.242 25493 5374 1 12 . 1 1 55 55 GLY C C 55 175.500 175.500 175.903 -0.403 25493 5375 1 12 . 1 1 55 55 GLY CA C 55 47.200 47.200 46.846 0.354 25493 5376 1 12 . 1 1 55 55 GLY H H 55 8.650 8.650 8.511 0.139 25493 5377 1 12 . 1 1 56 56 LYS N N 56 123.300 123.300 121.220 2.080 25493 5378 1 12 . 1 1 56 56 LYS HA H 56 4.110 4.110 3.992 0.118 25493 5379 1 12 . 1 1 56 56 LYS C C 56 178.300 178.300 178.148 0.152 25493 5380 1 12 . 1 1 56 56 LYS CA C 56 59.200 59.200 59.239 -0.039 25493 5381 1 12 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.393 0.107 25493 5382 1 12 . 1 1 56 56 LYS H H 56 7.210 7.210 7.574 -0.364 25493 5383 1 12 . 1 1 57 57 LEU N N 57 117.700 117.700 120.726 -3.026 25493 5384 1 12 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.074 0.106 25493 5385 1 12 . 1 1 57 57 LEU C C 57 179.600 179.600 178.682 0.918 25493 5386 1 12 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.910 -0.210 25493 5387 1 12 . 1 1 57 57 LEU CB C 57 43.400 43.400 41.992 1.408 25493 5388 1 12 . 1 1 57 57 LEU H H 57 7.900 7.900 7.923 -0.023 25493 5389 1 12 . 1 1 58 58 ILE N N 58 116.600 116.600 118.548 -1.948 25493 5390 1 12 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.759 -0.079 25493 5391 1 12 . 1 1 58 58 ILE C C 58 177.900 177.900 178.567 -0.667 25493 5392 1 12 . 1 1 58 58 ILE CA C 58 63.100 63.100 64.156 -1.056 25493 5393 1 12 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.510 -0.709 25493 5394 1 12 . 1 1 58 58 ILE H H 58 8.640 8.640 8.111 0.529 25493 5395 1 12 . 1 1 59 59 ASN N N 59 119.600 119.600 119.493 0.107 25493 5396 1 12 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.472 -0.102 25493 5397 1 12 . 1 1 59 59 ASN C C 59 176.700 176.700 177.623 -0.923 25493 5398 1 12 . 1 1 59 59 ASN CA C 59 57.000 57.000 56.968 0.032 25493 5399 1 12 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.441 0.058 25493 5400 1 12 . 1 1 59 59 ASN H H 59 8.120 8.120 8.312 -0.192 25493 5401 1 12 . 1 1 60 60 ASP N N 60 119.600 119.600 120.668 -1.068 25493 5402 1 12 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.452 -0.072 25493 5403 1 12 . 1 1 60 60 ASP C C 60 179.400 179.400 178.664 0.736 25493 5404 1 12 . 1 1 60 60 ASP CA C 60 57.600 57.600 57.565 0.035 25493 5405 1 12 . 1 1 60 60 ASP CB C 60 39.600 39.600 41.080 -1.480 25493 5406 1 12 . 1 1 60 60 ASP H H 60 8.490 8.490 8.006 0.484 25493 5407 1 12 . 1 1 61 61 VAL N N 61 118.700 118.700 120.578 -1.878 25493 5408 1 12 . 1 1 61 61 VAL HA H 61 3.750 3.750 4.110 -0.360 25493 5409 1 12 . 1 1 61 61 VAL C C 61 179.000 179.000 177.436 1.564 25493 5410 1 12 . 1 1 61 61 VAL CA C 61 65.800 65.800 64.886 0.914 25493 5411 1 12 . 1 1 61 61 VAL CB C 61 32.500 32.500 31.666 0.834 25493 5412 1 12 . 1 1 61 61 VAL H H 61 7.930 7.930 8.214 -0.284 25493 5413 1 12 . 1 1 62 62 ARG N N 62 120.900 120.900 118.435 2.465 25493 5414 1 12 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.232 -0.582 25493 5415 1 12 . 1 1 62 62 ARG C C 62 177.100 177.100 177.411 -0.311 25493 5416 1 12 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.734 0.466 25493 5417 1 12 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.930 -0.130 25493 5418 1 12 . 1 1 62 62 ARG H H 62 8.620 8.620 7.555 1.065 25493 5419 1 12 . 1 1 63 63 LYS N N 63 115.700 115.700 116.499 -0.799 25493 5420 1 12 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.276 -0.346 25493 5421 1 12 . 1 1 63 63 LYS C C 63 177.600 177.600 177.479 0.121 25493 5422 1 12 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.544 1.656 25493 5423 1 12 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.138 0.862 25493 5424 1 12 . 1 1 63 63 LYS H H 63 7.940 7.940 7.666 0.274 25493 5425 1 12 . 1 1 64 64 LYS N N 64 115.300 115.300 118.891 -3.591 25493 5426 1 12 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.381 0.049 25493 5427 1 12 . 1 1 64 64 LYS C C 64 176.900 176.900 177.135 -0.235 25493 5428 1 12 . 1 1 64 64 LYS CA C 64 55.400 55.400 56.559 -1.159 25493 5429 1 12 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.819 0.281 25493 5430 1 12 . 1 1 64 64 LYS H H 64 7.130 7.130 7.619 -0.489 25493 5431 1 12 . 1 1 65 65 THR N N 65 113.500 113.500 114.800 -1.300 25493 5432 1 12 . 1 1 65 65 THR HA H 65 4.520 4.520 4.509 0.011 25493 5433 1 12 . 1 1 65 65 THR C C 65 173.200 173.200 172.532 0.668 25493 5434 1 12 . 1 1 65 65 THR CA C 65 62.000 62.000 60.569 1.431 25493 5435 1 12 . 1 1 65 65 THR CB C 65 69.600 69.600 71.097 -1.497 25493 5436 1 12 . 1 1 65 65 THR H H 65 7.250 7.250 8.090 -0.840 25493 5437 1 12 . 1 1 66 66 LYS N N 66 125.700 125.700 126.135 -0.435 25493 5438 1 12 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.430 0.080 25493 5439 1 12 . 1 1 66 66 LYS C C 66 175.900 175.900 175.690 0.210 25493 5440 1 12 . 1 1 66 66 LYS CA C 66 55.400 55.400 55.427 -0.027 25493 5441 1 12 . 1 1 66 66 LYS CB C 66 32.000 32.000 32.344 -0.344 25493 5442 1 12 . 1 1 66 66 LYS H H 66 8.500 8.500 8.524 -0.024 25493 5443 1 12 . 1 1 67 67 ASN N N 67 122.100 122.100 123.146 -1.046 25493 5444 1 12 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.624 0.066 25493 5445 1 12 . 1 1 67 67 ASN C C 67 174.400 174.400 175.778 -1.378 25493 5446 1 12 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.914 -0.714 25493 5447 1 12 . 1 1 67 67 ASN CB C 67 39.000 39.000 39.151 -0.151 25493 5448 1 12 . 1 1 67 67 ASN H H 67 8.570 8.570 8.452 0.118 25493 5449 1 12 . 1 1 68 68 GLU N N 68 128.400 128.400 120.159 8.241 25493 5450 1 12 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.184 -0.194 25493 5451 1 12 . 1 1 68 68 GLU C C 68 178.500 178.500 176.677 1.823 25493 5452 1 12 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.067 0.233 25493 5453 1 12 . 1 1 68 68 GLU CB C 68 29.800 29.800 30.072 -0.272 25493 5454 1 12 . 1 1 68 68 GLU H H 68 8.850 8.850 8.714 0.136 25493 5455 1 12 . 1 1 69 69 GLU N N 69 120.300 120.300 115.686 4.614 25493 5456 1 12 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.308 -0.278 25493 5457 1 12 . 1 1 69 69 GLU C C 69 179.000 179.000 176.760 2.240 25493 5458 1 12 . 1 1 69 69 GLU CA C 69 59.200 59.200 56.792 2.408 25493 5459 1 12 . 1 1 69 69 GLU CB C 69 29.200 29.200 29.915 -0.715 25493 5460 1 12 . 1 1 69 69 GLU H H 69 8.190 8.190 8.291 -0.101 25493 5461 1 12 . 1 1 70 70 LEU N N 70 121.300 121.300 122.131 -0.831 25493 5462 1 12 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.059 -0.189 25493 5463 1 12 . 1 1 70 70 LEU C C 70 178.500 178.500 177.929 0.571 25493 5464 1 12 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.562 0.638 25493 5465 1 12 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.812 -1.112 25493 5466 1 12 . 1 1 70 70 LEU H H 70 8.120 8.120 8.424 -0.304 25493 5467 1 12 . 1 1 71 71 ALA N N 71 121.000 121.000 119.865 1.135 25493 5468 1 12 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.860 -0.120 25493 5469 1 12 . 1 1 71 71 ALA C C 71 180.100 180.100 177.958 2.142 25493 5470 1 12 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.077 1.423 25493 5471 1 12 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.595 -0.895 25493 5472 1 12 . 1 1 71 71 ALA H H 71 8.330 8.330 8.557 -0.227 25493 5473 1 12 . 1 1 72 72 LYS N N 72 118.200 118.200 113.795 4.405 25493 5474 1 12 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.463 -0.503 25493 5475 1 12 . 1 1 72 72 LYS C C 72 179.800 179.800 178.576 1.224 25493 5476 1 12 . 1 1 72 72 LYS CA C 72 59.800 59.800 57.545 2.255 25493 5477 1 12 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.507 -0.007 25493 5478 1 12 . 1 1 72 72 LYS H H 72 8.150 8.150 7.792 0.358 25493 5479 1 12 . 1 1 73 73 ARG N N 73 120.600 120.600 121.319 -0.719 25493 5480 1 12 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.127 -0.137 25493 5481 1 12 . 1 1 73 73 ARG C C 73 180.100 180.100 178.406 1.694 25493 5482 1 12 . 1 1 73 73 ARG CA C 73 59.300 59.300 59.350 -0.050 25493 5483 1 12 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.038 1.962 25493 5484 1 12 . 1 1 73 73 ARG H H 73 8.140 8.140 8.520 -0.380 25493 5485 1 12 . 1 1 74 74 ALA N N 74 121.700 121.700 121.054 0.646 25493 5486 1 12 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.171 -0.391 25493 5487 1 12 . 1 1 74 74 ALA C C 74 178.100 178.100 178.332 -0.232 25493 5488 1 12 . 1 1 74 74 ALA CA C 74 54.900 54.900 54.662 0.238 25493 5489 1 12 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.366 -1.167 25493 5490 1 12 . 1 1 74 74 ALA H H 74 8.970 8.970 7.808 1.162 25493 5491 1 12 . 1 1 75 75 LYS N N 75 117.900 117.900 116.992 0.908 25493 5492 1 12 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.423 -0.683 25493 5493 1 12 . 1 1 75 75 LYS C C 75 178.300 178.300 178.467 -0.167 25493 5494 1 12 . 1 1 75 75 LYS CA C 75 60.300 60.300 57.425 2.875 25493 5495 1 12 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.836 -0.336 25493 5496 1 12 . 1 1 75 75 LYS H H 75 8.200 8.200 7.527 0.673 25493 5497 1 12 . 1 1 76 76 LYS N N 76 118.800 118.800 120.058 -1.258 25493 5498 1 12 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.061 -0.171 25493 5499 1 12 . 1 1 76 76 LYS C C 76 179.200 179.200 178.604 0.596 25493 5500 1 12 . 1 1 76 76 LYS CA C 76 59.800 59.800 59.076 0.724 25493 5501 1 12 . 1 1 76 76 LYS CB C 76 32.400 32.400 32.619 -0.219 25493 5502 1 12 . 1 1 76 76 LYS H H 76 7.630 7.630 7.461 0.169 25493 5503 1 12 . 1 1 77 77 LEU N N 77 121.400 121.400 120.435 0.965 25493 5504 1 12 . 1 1 77 77 LEU HA H 77 3.630 3.630 3.982 -0.352 25493 5505 1 12 . 1 1 77 77 LEU C C 77 178.200 178.200 178.122 0.078 25493 5506 1 12 . 1 1 77 77 LEU CA C 77 57.600 57.600 56.785 0.815 25493 5507 1 12 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.303 -0.503 25493 5508 1 12 . 1 1 77 77 LEU H H 77 7.430 7.430 7.841 -0.411 25493 5509 1 12 . 1 1 78 78 LEU N N 78 117.600 117.600 120.347 -2.747 25493 5510 1 12 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.650 0.110 25493 5511 1 12 . 1 1 78 78 LEU C C 78 180.300 180.300 178.568 1.732 25493 5512 1 12 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.741 0.359 25493 5513 1 12 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.828 0.372 25493 5514 1 12 . 1 1 78 78 LEU H H 78 7.960 7.960 7.784 0.176 25493 5515 1 12 . 1 1 79 79 ARG N N 79 119.800 119.800 117.056 2.744 25493 5516 1 12 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.939 0.171 25493 5517 1 12 . 1 1 79 79 ARG C C 79 179.500 179.500 177.964 1.536 25493 5518 1 12 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.251 0.950 25493 5519 1 12 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.556 0.144 25493 5520 1 12 . 1 1 79 79 ARG H H 79 8.110 8.110 7.507 0.603 25493 5521 1 12 . 1 1 80 80 SER N N 80 117.800 117.800 112.946 4.854 25493 5522 1 12 . 1 1 80 80 SER HA H 80 4.310 4.310 4.143 0.167 25493 5523 1 12 . 1 1 80 80 SER C C 80 177.000 177.000 174.728 2.272 25493 5524 1 12 . 1 1 80 80 SER CA C 80 61.500 61.500 60.328 1.172 25493 5525 1 12 . 1 1 80 80 SER CB C 80 62.500 62.500 63.514 -1.014 25493 5526 1 12 . 1 1 80 80 SER H H 80 7.870 7.870 7.407 0.463 25493 5527 1 12 . 1 1 81 81 TRP N N 81 123.300 123.300 115.719 7.581 25493 5528 1 12 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.029 -0.219 25493 5529 1 12 . 1 1 81 81 TRP C C 81 178.200 178.200 176.587 1.613 25493 5530 1 12 . 1 1 81 81 TRP CA C 81 56.500 56.500 56.080 0.420 25493 5531 1 12 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.666 0.534 25493 5532 1 12 . 1 1 81 81 TRP H H 81 8.010 8.010 7.335 0.675 25493 5533 1 12 . 1 1 82 82 GLN N N 82 120.400 120.400 120.866 -0.466 25493 5534 1 12 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.048 0.032 25493 5535 1 12 . 1 1 82 82 GLN C C 82 177.600 177.600 176.270 1.330 25493 5536 1 12 . 1 1 82 82 GLN CA C 82 59.200 59.200 59.340 -0.140 25493 5537 1 12 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.236 -0.036 25493 5538 1 12 . 1 1 82 82 GLN H H 82 8.080 8.080 8.176 -0.096 25493 5539 1 12 . 1 1 83 83 LYS N N 83 115.600 115.600 115.584 0.016 25493 5540 1 12 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.312 -0.092 25493 5541 1 12 . 1 1 83 83 LYS C C 83 177.400 177.400 176.035 1.365 25493 5542 1 12 . 1 1 83 83 LYS CA C 83 57.600 57.600 56.606 0.994 25493 5543 1 12 . 1 1 83 83 LYS CB C 83 32.500 32.500 31.365 1.135 25493 5544 1 12 . 1 1 83 83 LYS H H 83 7.770 7.770 8.260 -0.490 25493 5545 1 12 . 1 1 84 84 LEU N N 84 117.900 117.900 117.691 0.209 25493 5546 1 12 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.637 -0.357 25493 5547 1 12 . 1 1 84 84 LEU C C 84 177.500 177.500 176.358 1.142 25493 5548 1 12 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.413 0.587 25493 5549 1 12 . 1 1 84 84 LEU CB C 84 42.900 42.900 44.469 -1.569 25493 5550 1 12 . 1 1 84 84 LEU H H 84 7.670 7.670 7.875 -0.205 25493 5551 1 12 . 1 1 85 85 ILE N N 85 115.400 115.400 114.128 1.272 25493 5552 1 12 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.582 -0.452 25493 5553 1 12 . 1 1 85 85 ILE C C 85 175.100 175.100 174.899 0.201 25493 5554 1 12 . 1 1 85 85 ILE CA C 85 61.400 61.400 59.474 1.926 25493 5555 1 12 . 1 1 85 85 ILE CB C 85 39.600 39.600 40.057 -0.457 25493 5556 1 12 . 1 1 85 85 ILE H H 85 7.490 7.490 7.984 -0.494 25493 5557 1 13 . 1 1 7 7 ALA N N 7 123.700 123.700 122.618 1.082 25493 5558 1 13 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.439 -0.019 25493 5559 1 13 . 1 1 7 7 ALA C C 7 176.700 176.700 175.454 1.246 25493 5560 1 13 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.618 -0.018 25493 5561 1 13 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.885 -0.985 25493 5562 1 13 . 1 1 7 7 ALA H H 7 8.040 8.040 7.934 0.105 25493 5563 1 13 . 1 1 8 8 SER N N 8 117.100 117.100 116.502 0.598 25493 5564 1 13 . 1 1 8 8 SER HA H 8 4.750 4.750 4.386 0.364 25493 5565 1 13 . 1 1 8 8 SER CA C 8 56.000 56.000 56.047 -0.047 25493 5566 1 13 . 1 1 8 8 SER CB C 8 63.300 63.300 63.544 -0.244 25493 5567 1 13 . 1 1 8 8 SER H H 8 8.430 8.430 8.318 0.112 25493 5568 1 13 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.890 0.050 25493 5569 1 13 . 1 1 9 9 PRO C C 9 177.400 177.400 177.987 -0.587 25493 5570 1 13 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.458 0.342 25493 5571 1 13 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.687 0.313 25493 5572 1 13 . 1 1 10 10 GLN N N 10 116.000 116.000 116.622 -0.622 25493 5573 1 13 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.012 -0.352 25493 5574 1 13 . 1 1 10 10 GLN C C 10 177.500 177.500 178.216 -0.716 25493 5575 1 13 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.582 0.718 25493 5576 1 13 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.573 -0.073 25493 5577 1 13 . 1 1 10 10 GLN H H 10 8.350 8.350 8.248 0.102 25493 5578 1 13 . 1 1 11 11 GLN N N 11 119.200 119.200 119.153 0.047 25493 5579 1 13 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.065 0.015 25493 5580 1 13 . 1 1 11 11 GLN C C 11 179.600 179.600 178.151 1.449 25493 5581 1 13 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.749 0.151 25493 5582 1 13 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.232 0.368 25493 5583 1 13 . 1 1 11 11 GLN H H 11 7.680 7.680 7.785 -0.105 25493 5584 1 13 . 1 1 12 12 ILE N N 12 121.300 121.300 113.153 8.147 25493 5585 1 13 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.840 -0.310 25493 5586 1 13 . 1 1 12 12 ILE C C 12 177.200 177.200 177.599 -0.399 25493 5587 1 13 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.882 1.418 25493 5588 1 13 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.145 0.256 25493 5589 1 13 . 1 1 12 12 ILE H H 12 8.190 8.190 8.041 0.149 25493 5590 1 13 . 1 1 13 13 ARG N N 13 120.200 120.200 121.979 -1.779 25493 5591 1 13 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.892 -0.152 25493 5592 1 13 . 1 1 13 13 ARG C C 13 177.700 177.700 178.025 -0.325 25493 5593 1 13 . 1 1 13 13 ARG CA C 13 60.300 60.300 60.049 0.251 25493 5594 1 13 . 1 1 13 13 ARG CB C 13 28.200 28.200 30.003 -1.803 25493 5595 1 13 . 1 1 13 13 ARG H H 13 8.320 8.320 7.971 0.349 25493 5596 1 13 . 1 1 14 14 ASP N N 14 119.200 119.200 117.502 1.698 25493 5597 1 13 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.567 -0.237 25493 5598 1 13 . 1 1 14 14 ASP C C 14 178.800 178.800 177.060 1.740 25493 5599 1 13 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.909 2.091 25493 5600 1 13 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.305 -0.705 25493 5601 1 13 . 1 1 14 14 ASP H H 14 8.280 8.280 8.104 0.176 25493 5602 1 13 . 1 1 15 15 ARG N N 15 120.400 120.400 118.619 1.781 25493 5603 1 13 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.409 -0.439 25493 5604 1 13 . 1 1 15 15 ARG C C 15 179.300 179.300 177.852 1.448 25493 5605 1 13 . 1 1 15 15 ARG CA C 15 59.200 59.200 57.355 1.845 25493 5606 1 13 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.645 -1.645 25493 5607 1 13 . 1 1 15 15 ARG H H 15 7.980 7.980 7.529 0.451 25493 5608 1 13 . 1 1 16 16 LEU N N 16 120.500 120.500 120.926 -0.426 25493 5609 1 13 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.215 -0.245 25493 5610 1 13 . 1 1 16 16 LEU C C 16 178.500 178.500 178.164 0.336 25493 5611 1 13 . 1 1 16 16 LEU CA C 16 58.100 58.100 58.268 -0.168 25493 5612 1 13 . 1 1 16 16 LEU CB C 16 41.200 41.200 41.901 -0.701 25493 5613 1 13 . 1 1 16 16 LEU H H 16 8.210 8.210 8.462 -0.252 25493 5614 1 13 . 1 1 17 17 LEU N N 17 116.100 116.100 118.345 -2.245 25493 5615 1 13 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.109 -0.109 25493 5616 1 13 . 1 1 17 17 LEU C C 17 179.400 179.400 178.284 1.116 25493 5617 1 13 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.246 0.354 25493 5618 1 13 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.487 0.213 25493 5619 1 13 . 1 1 17 17 LEU H H 17 8.310 8.310 8.386 -0.076 25493 5620 1 13 . 1 1 18 18 GLN N N 18 114.300 114.300 115.224 -0.924 25493 5621 1 13 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.244 -0.004 25493 5622 1 13 . 1 1 18 18 GLN C C 18 176.700 176.700 177.502 -0.802 25493 5623 1 13 . 1 1 18 18 GLN CA C 18 57.000 57.000 56.549 0.451 25493 5624 1 13 . 1 1 18 18 GLN CB C 18 28.800 28.800 28.734 0.066 25493 5625 1 13 . 1 1 18 18 GLN H H 18 7.460 7.460 8.019 -0.559 25493 5626 1 13 . 1 1 19 19 ALA N N 19 120.800 120.800 121.393 -0.593 25493 5627 1 13 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.271 0.219 25493 5628 1 13 . 1 1 19 19 ALA C C 19 176.000 176.000 177.250 -1.250 25493 5629 1 13 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.806 -1.206 25493 5630 1 13 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.334 2.766 25493 5631 1 13 . 1 1 19 19 ALA H H 19 7.770 7.770 7.680 0.090 25493 5632 1 13 . 1 1 20 20 ILE N N 20 113.500 113.500 112.042 1.458 25493 5633 1 13 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.565 0.635 25493 5634 1 13 . 1 1 20 20 ILE C C 20 173.600 173.600 174.002 -0.402 25493 5635 1 13 . 1 1 20 20 ILE CA C 20 59.200 59.200 59.033 0.167 25493 5636 1 13 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.914 1.886 25493 5637 1 13 . 1 1 20 20 ILE H H 20 7.360 7.360 7.368 -0.008 25493 5638 1 13 . 1 1 21 21 ASP N N 21 122.500 122.500 119.207 3.293 25493 5639 1 13 . 1 1 21 21 ASP HA H 21 4.980 4.980 4.933 0.047 25493 5640 1 13 . 1 1 21 21 ASP CA C 21 52.100 52.100 52.474 -0.374 25493 5641 1 13 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.039 0.161 25493 5642 1 13 . 1 1 21 21 ASP H H 21 8.530 8.530 8.349 0.181 25493 5643 1 13 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.583 -0.133 25493 5644 1 13 . 1 1 22 22 PRO C C 22 177.500 177.500 175.739 1.761 25493 5645 1 13 . 1 1 22 22 PRO CA C 22 65.200 65.200 63.523 1.677 25493 5646 1 13 . 1 1 22 22 PRO CB C 22 31.900 31.900 30.347 1.553 25493 5647 1 13 . 1 1 23 23 GLN N N 23 115.900 115.900 120.436 -4.536 25493 5648 1 13 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.482 -0.062 25493 5649 1 13 . 1 1 23 23 GLN C C 23 174.800 174.800 175.046 -0.246 25493 5650 1 13 . 1 1 23 23 GLN CA C 23 55.400 55.400 56.116 -0.716 25493 5651 1 13 . 1 1 23 23 GLN CB C 23 28.700 28.700 30.773 -2.073 25493 5652 1 13 . 1 1 23 23 GLN H H 23 7.950 7.950 8.296 -0.346 25493 5653 1 13 . 1 1 24 24 SER N N 24 107.900 107.900 110.029 -2.129 25493 5654 1 13 . 1 1 24 24 SER HA H 24 3.730 3.730 4.590 -0.860 25493 5655 1 13 . 1 1 24 24 SER C C 24 173.200 173.200 173.966 -0.766 25493 5656 1 13 . 1 1 24 24 SER CA C 24 60.300 60.300 57.630 2.670 25493 5657 1 13 . 1 1 24 24 SER CB C 24 60.300 60.300 64.531 -4.231 25493 5658 1 13 . 1 1 24 24 SER H H 24 8.270 8.270 8.191 0.079 25493 5659 1 13 . 1 1 25 25 ASN N N 25 117.000 117.000 121.926 -4.926 25493 5660 1 13 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.808 -0.278 25493 5661 1 13 . 1 1 25 25 ASN C C 25 175.600 175.600 175.457 0.143 25493 5662 1 13 . 1 1 25 25 ASN CA C 25 52.800 52.800 53.333 -0.533 25493 5663 1 13 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.198 -0.698 25493 5664 1 13 . 1 1 25 25 ASN H H 25 8.500 8.500 7.831 0.669 25493 5665 1 13 . 1 1 26 26 ILE N N 26 122.400 122.400 118.617 3.783 25493 5666 1 13 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.148 -0.328 25493 5667 1 13 . 1 1 26 26 ILE C C 26 176.400 176.400 176.483 -0.083 25493 5668 1 13 . 1 1 26 26 ILE CA C 26 63.600 63.600 61.503 2.097 25493 5669 1 13 . 1 1 26 26 ILE CB C 26 38.600 38.600 39.333 -0.733 25493 5670 1 13 . 1 1 26 26 ILE H H 26 8.890 8.890 8.478 0.412 25493 5671 1 13 . 1 1 27 27 ARG N N 27 127.600 127.600 118.593 9.007 25493 5672 1 13 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.829 0.701 25493 5673 1 13 . 1 1 27 27 ARG C C 27 176.000 176.000 176.817 -0.817 25493 5674 1 13 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.800 -2.300 25493 5675 1 13 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.867 2.533 25493 5676 1 13 . 1 1 27 27 ARG H H 27 9.070 9.070 8.453 0.617 25493 5677 1 13 . 1 1 28 28 ASN N N 28 117.300 117.300 119.386 -2.086 25493 5678 1 13 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.924 0.006 25493 5679 1 13 . 1 1 28 28 ASN C C 28 174.300 174.300 175.376 -1.076 25493 5680 1 13 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.894 -0.294 25493 5681 1 13 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.209 0.791 25493 5682 1 13 . 1 1 28 28 ASN H H 28 7.510 7.510 8.276 -0.766 25493 5683 1 13 . 1 1 29 29 MET N N 29 125.700 125.700 122.491 3.209 25493 5684 1 13 . 1 1 29 29 MET HA H 29 4.190 4.190 4.150 0.040 25493 5685 1 13 . 1 1 29 29 MET C C 29 177.300 177.300 176.912 0.388 25493 5686 1 13 . 1 1 29 29 MET CA C 29 57.600 57.600 59.170 -1.570 25493 5687 1 13 . 1 1 29 29 MET CB C 29 31.400 31.400 32.714 -1.314 25493 5688 1 13 . 1 1 29 29 MET H H 29 8.940 8.940 7.687 1.253 25493 5689 1 13 . 1 1 30 30 VAL N N 30 118.600 118.600 118.214 0.386 25493 5690 1 13 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.696 -0.176 25493 5691 1 13 . 1 1 30 30 VAL C C 30 178.800 178.800 176.988 1.812 25493 5692 1 13 . 1 1 30 30 VAL CA C 30 66.900 66.900 65.043 1.857 25493 5693 1 13 . 1 1 30 30 VAL CB C 30 31.500 31.500 31.602 -0.102 25493 5694 1 13 . 1 1 30 30 VAL H H 30 7.910 7.910 7.786 0.124 25493 5695 1 13 . 1 1 31 31 ALA N N 31 120.600 120.600 120.661 -0.061 25493 5696 1 13 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.204 -0.074 25493 5697 1 13 . 1 1 31 31 ALA C C 31 180.300 180.300 179.246 1.054 25493 5698 1 13 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.884 -0.584 25493 5699 1 13 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.517 0.383 25493 5700 1 13 . 1 1 31 31 ALA H H 31 7.270 7.270 8.049 -0.779 25493 5701 1 13 . 1 1 32 32 VAL N N 32 117.900 117.900 118.059 -0.159 25493 5702 1 13 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.860 -0.480 25493 5703 1 13 . 1 1 32 32 VAL C C 32 177.700 177.700 176.971 0.729 25493 5704 1 13 . 1 1 32 32 VAL CA C 32 67.700 67.700 63.774 3.926 25493 5705 1 13 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.000 -1.100 25493 5706 1 13 . 1 1 32 32 VAL H H 32 7.640 7.640 7.340 0.300 25493 5707 1 13 . 1 1 33 33 LEU N N 33 119.900 119.900 120.645 -0.745 25493 5708 1 13 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.146 -0.236 25493 5709 1 13 . 1 1 33 33 LEU C C 33 179.900 179.900 178.325 1.575 25493 5710 1 13 . 1 1 33 33 LEU CA C 33 58.300 58.300 57.213 1.087 25493 5711 1 13 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.605 -0.905 25493 5712 1 13 . 1 1 33 33 LEU H H 33 8.450 8.450 8.376 0.074 25493 5713 1 13 . 1 1 34 34 GLU N N 34 121.200 121.200 120.552 0.648 25493 5714 1 13 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.070 -0.010 25493 5715 1 13 . 1 1 34 34 GLU C C 34 179.800 179.800 178.804 0.996 25493 5716 1 13 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.375 0.425 25493 5717 1 13 . 1 1 34 34 GLU CB C 34 29.300 29.300 28.994 0.306 25493 5718 1 13 . 1 1 34 34 GLU H H 34 8.080 8.080 7.882 0.198 25493 5719 1 13 . 1 1 35 35 VAL N N 35 122.400 122.400 118.771 3.629 25493 5720 1 13 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.756 -0.156 25493 5721 1 13 . 1 1 35 35 VAL C C 35 177.900 177.900 176.836 1.064 25493 5722 1 13 . 1 1 35 35 VAL CA C 35 67.100 67.100 65.779 1.321 25493 5723 1 13 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.797 -0.897 25493 5724 1 13 . 1 1 35 35 VAL H H 35 8.060 8.060 7.387 0.673 25493 5725 1 13 . 1 1 36 36 ILE N N 36 119.800 119.800 119.734 0.066 25493 5726 1 13 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.800 -0.240 25493 5727 1 13 . 1 1 36 36 ILE C C 36 177.500 177.500 177.945 -0.445 25493 5728 1 13 . 1 1 36 36 ILE CA C 36 64.200 64.200 63.716 0.484 25493 5729 1 13 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.786 -0.486 25493 5730 1 13 . 1 1 36 36 ILE H H 36 8.420 8.420 7.469 0.951 25493 5731 1 13 . 1 1 37 37 SER N N 37 114.700 114.700 113.651 1.049 25493 5732 1 13 . 1 1 37 37 SER HA H 37 4.290 4.290 4.189 0.101 25493 5733 1 13 . 1 1 37 37 SER C C 37 177.300 177.300 175.201 2.099 25493 5734 1 13 . 1 1 37 37 SER CA C 37 61.900 61.900 60.078 1.822 25493 5735 1 13 . 1 1 37 37 SER CB C 37 63.100 63.100 62.427 0.673 25493 5736 1 13 . 1 1 37 37 SER H H 37 8.430 8.430 8.518 -0.088 25493 5737 1 13 . 1 1 38 38 SER N N 38 117.200 117.200 116.927 0.273 25493 5738 1 13 . 1 1 38 38 SER HA H 38 4.290 4.290 4.565 -0.275 25493 5739 1 13 . 1 1 38 38 SER C C 38 176.700 176.700 176.229 0.471 25493 5740 1 13 . 1 1 38 38 SER CA C 38 62.500 62.500 60.941 1.559 25493 5741 1 13 . 1 1 38 38 SER CB C 38 63.100 63.100 64.271 -1.171 25493 5742 1 13 . 1 1 38 38 SER H H 38 8.200 8.200 7.656 0.544 25493 5743 1 13 . 1 1 39 39 LEU N N 39 121.600 121.600 122.838 -1.238 25493 5744 1 13 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.300 0.070 25493 5745 1 13 . 1 1 39 39 LEU C C 39 178.700 178.700 178.695 0.005 25493 5746 1 13 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.381 -0.281 25493 5747 1 13 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.734 1.066 25493 5748 1 13 . 1 1 39 39 LEU H H 39 8.150 8.150 8.658 -0.508 25493 5749 1 13 . 1 1 40 40 GLU N N 40 118.600 118.600 117.941 0.659 25493 5750 1 13 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.248 -0.348 25493 5751 1 13 . 1 1 40 40 GLU C C 40 178.100 178.100 176.656 1.444 25493 5752 1 13 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.179 0.521 25493 5753 1 13 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.244 1.056 25493 5754 1 13 . 1 1 40 40 GLU H H 40 8.190 8.190 8.263 -0.073 25493 5755 1 13 . 1 1 41 41 LYS N N 41 116.300 116.300 116.452 -0.152 25493 5756 1 13 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.457 -0.227 25493 5757 1 13 . 1 1 41 41 LYS C C 41 175.800 175.800 175.695 0.105 25493 5758 1 13 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.744 0.856 25493 5759 1 13 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.044 0.555 25493 5760 1 13 . 1 1 41 41 LYS H H 41 7.440 7.440 7.617 -0.177 25493 5761 1 13 . 1 1 42 42 TYR N N 42 121.400 121.400 123.088 -1.688 25493 5762 1 13 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.808 0.052 25493 5763 1 13 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.989 -0.589 25493 5764 1 13 . 1 1 42 42 TYR CB C 42 39.600 39.600 41.465 -1.865 25493 5765 1 13 . 1 1 42 42 TYR H H 42 7.730 7.730 7.743 -0.013 25493 5766 1 13 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.610 0.150 25493 5767 1 13 . 1 1 43 43 PRO C C 43 175.800 175.800 175.525 0.275 25493 5768 1 13 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.611 -0.111 25493 5769 1 13 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.833 -0.533 25493 5770 1 13 . 1 1 44 44 ILE N N 44 124.000 124.000 124.733 -0.733 25493 5771 1 13 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.077 0.393 25493 5772 1 13 . 1 1 44 44 ILE C C 44 174.300 174.300 176.127 -1.827 25493 5773 1 13 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.422 -1.122 25493 5774 1 13 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.789 2.911 25493 5775 1 13 . 1 1 44 44 ILE H H 44 8.200 8.200 7.898 0.302 25493 5776 1 13 . 1 1 45 45 THR N N 45 112.200 112.200 116.345 -4.145 25493 5777 1 13 . 1 1 45 45 THR HA H 45 4.530 4.530 4.712 -0.182 25493 5778 1 13 . 1 1 45 45 THR C C 45 175.100 175.100 174.480 0.620 25493 5779 1 13 . 1 1 45 45 THR CA C 45 59.800 59.800 59.816 -0.016 25493 5780 1 13 . 1 1 45 45 THR CB C 45 72.300 72.300 71.413 0.887 25493 5781 1 13 . 1 1 45 45 THR H H 45 7.330 7.330 7.715 -0.385 25493 5782 1 13 . 1 1 46 46 LYS N N 46 121.500 121.500 124.156 -2.656 25493 5783 1 13 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.841 -0.101 25493 5784 1 13 . 1 1 46 46 LYS C C 46 178.200 178.200 178.711 -0.511 25493 5785 1 13 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.430 0.570 25493 5786 1 13 . 1 1 46 46 LYS CB C 46 32.500 32.500 32.121 0.379 25493 5787 1 13 . 1 1 46 46 LYS H H 46 9.090 9.090 8.678 0.412 25493 5788 1 13 . 1 1 47 47 GLU N N 47 118.400 118.400 118.875 -0.475 25493 5789 1 13 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.036 -0.016 25493 5790 1 13 . 1 1 47 47 GLU C C 47 179.000 179.000 177.712 1.288 25493 5791 1 13 . 1 1 47 47 GLU CA C 47 60.800 60.800 58.914 1.886 25493 5792 1 13 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.329 -0.629 25493 5793 1 13 . 1 1 47 47 GLU H H 47 9.010 9.010 8.686 0.324 25493 5794 1 13 . 1 1 48 48 ALA N N 48 122.300 122.300 120.835 1.465 25493 5795 1 13 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.341 -0.071 25493 5796 1 13 . 1 1 48 48 ALA C C 48 181.900 181.900 179.327 2.573 25493 5797 1 13 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.452 1.448 25493 5798 1 13 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.800 -1.000 25493 5799 1 13 . 1 1 48 48 ALA H H 48 7.860 7.860 7.690 0.170 25493 5800 1 13 . 1 1 49 49 LEU N N 49 122.200 122.200 122.086 0.114 25493 5801 1 13 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.099 -0.519 25493 5802 1 13 . 1 1 49 49 LEU C C 49 179.800 179.800 177.893 1.907 25493 5803 1 13 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.742 0.958 25493 5804 1 13 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.668 -0.368 25493 5805 1 13 . 1 1 49 49 LEU H H 49 8.260 8.260 8.336 -0.076 25493 5806 1 13 . 1 1 50 50 GLU N N 50 120.400 120.400 116.389 4.011 25493 5807 1 13 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.098 -0.058 25493 5808 1 13 . 1 1 50 50 GLU C C 50 178.900 178.900 177.560 1.340 25493 5809 1 13 . 1 1 50 50 GLU CA C 50 59.200 59.200 58.228 0.972 25493 5810 1 13 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.334 -0.134 25493 5811 1 13 . 1 1 50 50 GLU H H 50 8.120 8.120 8.171 -0.051 25493 5812 1 13 . 1 1 51 51 GLU N N 51 118.500 118.500 118.794 -0.294 25493 5813 1 13 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.168 -0.118 25493 5814 1 13 . 1 1 51 51 GLU C C 51 178.800 178.800 178.133 0.667 25493 5815 1 13 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.653 0.547 25493 5816 1 13 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.952 0.348 25493 5817 1 13 . 1 1 51 51 GLU H H 51 8.200 8.200 8.137 0.063 25493 5818 1 13 . 1 1 52 52 THR N N 52 104.700 104.700 110.167 -5.467 25493 5819 1 13 . 1 1 52 52 THR HA H 52 4.090 4.090 4.310 -0.220 25493 5820 1 13 . 1 1 52 52 THR C C 52 175.400 175.400 175.566 -0.166 25493 5821 1 13 . 1 1 52 52 THR CA C 52 63.100 63.100 62.533 0.567 25493 5822 1 13 . 1 1 52 52 THR CB C 52 71.800 71.800 69.359 2.441 25493 5823 1 13 . 1 1 52 52 THR H H 52 7.840 7.840 8.059 -0.219 25493 5824 1 13 . 1 1 53 53 ARG N N 53 114.400 114.400 119.642 -5.242 25493 5825 1 13 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.890 0.220 25493 5826 1 13 . 1 1 53 53 ARG C C 53 177.200 177.200 175.862 1.338 25493 5827 1 13 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.690 0.610 25493 5828 1 13 . 1 1 53 53 ARG CB C 53 27.500 27.500 27.529 -0.029 25493 5829 1 13 . 1 1 53 53 ARG H H 53 7.680 7.680 7.799 -0.119 25493 5830 1 13 . 1 1 54 54 LEU N N 54 117.200 117.200 119.938 -2.738 25493 5831 1 13 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.130 -0.320 25493 5832 1 13 . 1 1 54 54 LEU C C 54 178.200 178.200 177.956 0.244 25493 5833 1 13 . 1 1 54 54 LEU CA C 54 58.700 58.700 58.019 0.681 25493 5834 1 13 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.784 1.616 25493 5835 1 13 . 1 1 54 54 LEU H H 54 7.460 7.460 7.612 -0.152 25493 5836 1 13 . 1 1 55 55 GLY N N 55 105.900 105.900 105.935 -0.035 25493 5837 1 13 . 1 1 55 55 GLY C C 55 175.500 175.500 176.066 -0.566 25493 5838 1 13 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.051 0.149 25493 5839 1 13 . 1 1 55 55 GLY H H 55 8.650 8.650 8.623 0.027 25493 5840 1 13 . 1 1 56 56 LYS N N 56 123.300 123.300 121.705 1.595 25493 5841 1 13 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.057 0.053 25493 5842 1 13 . 1 1 56 56 LYS C C 56 178.300 178.300 178.741 -0.441 25493 5843 1 13 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.650 0.550 25493 5844 1 13 . 1 1 56 56 LYS CB C 56 32.500 32.500 31.913 0.587 25493 5845 1 13 . 1 1 56 56 LYS H H 56 7.210 7.210 8.222 -1.012 25493 5846 1 13 . 1 1 57 57 LEU N N 57 117.700 117.700 119.058 -1.358 25493 5847 1 13 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.110 0.070 25493 5848 1 13 . 1 1 57 57 LEU C C 57 179.600 179.600 179.007 0.593 25493 5849 1 13 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.916 -0.216 25493 5850 1 13 . 1 1 57 57 LEU CB C 57 43.400 43.400 42.012 1.388 25493 5851 1 13 . 1 1 57 57 LEU H H 57 7.900 7.900 7.598 0.302 25493 5852 1 13 . 1 1 58 58 ILE N N 58 116.600 116.600 117.950 -1.350 25493 5853 1 13 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.880 -0.200 25493 5854 1 13 . 1 1 58 58 ILE C C 58 177.900 177.900 178.200 -0.300 25493 5855 1 13 . 1 1 58 58 ILE CA C 58 63.100 63.100 62.504 0.596 25493 5856 1 13 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.631 -0.831 25493 5857 1 13 . 1 1 58 58 ILE H H 58 8.640 8.640 7.713 0.927 25493 5858 1 13 . 1 1 59 59 ASN N N 59 119.600 119.600 119.703 -0.103 25493 5859 1 13 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.489 -0.119 25493 5860 1 13 . 1 1 59 59 ASN C C 59 176.700 176.700 176.923 -0.223 25493 5861 1 13 . 1 1 59 59 ASN CA C 59 57.000 57.000 56.482 0.518 25493 5862 1 13 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.547 -0.047 25493 5863 1 13 . 1 1 59 59 ASN H H 59 8.120 8.120 8.614 -0.494 25493 5864 1 13 . 1 1 60 60 ASP N N 60 119.600 119.600 120.763 -1.163 25493 5865 1 13 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.495 -0.115 25493 5866 1 13 . 1 1 60 60 ASP C C 60 179.400 179.400 178.511 0.889 25493 5867 1 13 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.933 0.667 25493 5868 1 13 . 1 1 60 60 ASP CB C 60 39.600 39.600 40.904 -1.304 25493 5869 1 13 . 1 1 60 60 ASP H H 60 8.490 8.490 7.590 0.900 25493 5870 1 13 . 1 1 61 61 VAL N N 61 118.700 118.700 120.593 -1.893 25493 5871 1 13 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.888 -0.138 25493 5872 1 13 . 1 1 61 61 VAL C C 61 179.000 179.000 177.045 1.955 25493 5873 1 13 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.557 0.243 25493 5874 1 13 . 1 1 61 61 VAL CB C 61 32.500 32.500 31.841 0.659 25493 5875 1 13 . 1 1 61 61 VAL H H 61 7.930 7.930 8.257 -0.327 25493 5876 1 13 . 1 1 62 62 ARG N N 62 120.900 120.900 116.722 4.178 25493 5877 1 13 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.062 -0.412 25493 5878 1 13 . 1 1 62 62 ARG C C 62 177.100 177.100 176.875 0.225 25493 5879 1 13 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.542 0.658 25493 5880 1 13 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.978 -0.178 25493 5881 1 13 . 1 1 62 62 ARG H H 62 8.620 8.620 7.666 0.954 25493 5882 1 13 . 1 1 63 63 LYS N N 63 115.700 115.700 117.086 -1.386 25493 5883 1 13 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.249 -0.319 25493 5884 1 13 . 1 1 63 63 LYS C C 63 177.600 177.600 177.589 0.011 25493 5885 1 13 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.693 1.507 25493 5886 1 13 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.083 0.917 25493 5887 1 13 . 1 1 63 63 LYS H H 63 7.940 7.940 7.563 0.377 25493 5888 1 13 . 1 1 64 64 LYS N N 64 115.300 115.300 118.976 -3.676 25493 5889 1 13 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.337 0.093 25493 5890 1 13 . 1 1 64 64 LYS C C 64 176.900 176.900 176.824 0.076 25493 5891 1 13 . 1 1 64 64 LYS CA C 64 55.400 55.400 57.288 -1.888 25493 5892 1 13 . 1 1 64 64 LYS CB C 64 34.100 34.100 34.287 -0.187 25493 5893 1 13 . 1 1 64 64 LYS H H 64 7.130 7.130 7.722 -0.592 25493 5894 1 13 . 1 1 65 65 THR N N 65 113.500 113.500 112.848 0.652 25493 5895 1 13 . 1 1 65 65 THR HA H 65 4.520 4.520 4.569 -0.049 25493 5896 1 13 . 1 1 65 65 THR C C 65 173.200 173.200 172.900 0.300 25493 5897 1 13 . 1 1 65 65 THR CA C 65 62.000 62.000 60.969 1.031 25493 5898 1 13 . 1 1 65 65 THR CB C 65 69.600 69.600 70.205 -0.605 25493 5899 1 13 . 1 1 65 65 THR H H 65 7.250 7.250 7.860 -0.610 25493 5900 1 13 . 1 1 66 66 LYS N N 66 125.700 125.700 122.235 3.465 25493 5901 1 13 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.530 -0.020 25493 5902 1 13 . 1 1 66 66 LYS C C 66 175.900 175.900 175.312 0.588 25493 5903 1 13 . 1 1 66 66 LYS CA C 66 55.400 55.400 55.345 0.055 25493 5904 1 13 . 1 1 66 66 LYS CB C 66 32.000 32.000 32.485 -0.485 25493 5905 1 13 . 1 1 66 66 LYS H H 66 8.500 8.500 8.464 0.036 25493 5906 1 13 . 1 1 67 67 ASN N N 67 122.100 122.100 123.951 -1.851 25493 5907 1 13 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.766 -0.076 25493 5908 1 13 . 1 1 67 67 ASN C C 67 174.400 174.400 176.374 -1.974 25493 5909 1 13 . 1 1 67 67 ASN CA C 67 53.200 53.200 52.717 0.483 25493 5910 1 13 . 1 1 67 67 ASN CB C 67 39.000 39.000 39.222 -0.222 25493 5911 1 13 . 1 1 67 67 ASN H H 67 8.570 8.570 8.464 0.106 25493 5912 1 13 . 1 1 68 68 GLU N N 68 128.400 128.400 125.068 3.332 25493 5913 1 13 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.866 0.124 25493 5914 1 13 . 1 1 68 68 GLU C C 68 178.500 178.500 177.303 1.197 25493 5915 1 13 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.484 -0.184 25493 5916 1 13 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.279 0.521 25493 5917 1 13 . 1 1 68 68 GLU H H 68 8.850 8.850 8.991 -0.141 25493 5918 1 13 . 1 1 69 69 GLU N N 69 120.300 120.300 118.496 1.804 25493 5919 1 13 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.308 -0.278 25493 5920 1 13 . 1 1 69 69 GLU C C 69 179.000 179.000 177.662 1.338 25493 5921 1 13 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.540 1.660 25493 5922 1 13 . 1 1 69 69 GLU CB C 69 29.200 29.200 29.649 -0.449 25493 5923 1 13 . 1 1 69 69 GLU H H 69 8.190 8.190 8.573 -0.383 25493 5924 1 13 . 1 1 70 70 LEU N N 70 121.300 121.300 121.712 -0.412 25493 5925 1 13 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.137 -0.267 25493 5926 1 13 . 1 1 70 70 LEU C C 70 178.500 178.500 178.505 -0.005 25493 5927 1 13 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.139 1.062 25493 5928 1 13 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.794 -1.094 25493 5929 1 13 . 1 1 70 70 LEU H H 70 8.120 8.120 7.844 0.276 25493 5930 1 13 . 1 1 71 71 ALA N N 71 121.000 121.000 120.880 0.120 25493 5931 1 13 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.876 -0.136 25493 5932 1 13 . 1 1 71 71 ALA C C 71 180.100 180.100 178.691 1.409 25493 5933 1 13 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.668 0.832 25493 5934 1 13 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.415 -0.715 25493 5935 1 13 . 1 1 71 71 ALA H H 71 8.330 8.330 8.789 -0.459 25493 5936 1 13 . 1 1 72 72 LYS N N 72 118.200 118.200 116.077 2.123 25493 5937 1 13 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.331 -0.371 25493 5938 1 13 . 1 1 72 72 LYS C C 72 179.800 179.800 178.581 1.219 25493 5939 1 13 . 1 1 72 72 LYS CA C 72 59.800 59.800 58.041 1.759 25493 5940 1 13 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.103 0.397 25493 5941 1 13 . 1 1 72 72 LYS H H 72 8.150 8.150 7.583 0.567 25493 5942 1 13 . 1 1 73 73 ARG N N 73 120.600 120.600 121.254 -0.654 25493 5943 1 13 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.095 -0.105 25493 5944 1 13 . 1 1 73 73 ARG C C 73 180.100 180.100 178.079 2.021 25493 5945 1 13 . 1 1 73 73 ARG CA C 73 59.300 59.300 59.034 0.266 25493 5946 1 13 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.318 1.682 25493 5947 1 13 . 1 1 73 73 ARG H H 73 8.140 8.140 8.588 -0.448 25493 5948 1 13 . 1 1 74 74 ALA N N 74 121.700 121.700 121.778 -0.078 25493 5949 1 13 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.064 -0.284 25493 5950 1 13 . 1 1 74 74 ALA C C 74 178.100 178.100 179.313 -1.213 25493 5951 1 13 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.423 -0.523 25493 5952 1 13 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.272 -1.072 25493 5953 1 13 . 1 1 74 74 ALA H H 74 8.970 8.970 8.243 0.727 25493 5954 1 13 . 1 1 75 75 LYS N N 75 117.900 117.900 117.976 -0.076 25493 5955 1 13 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.155 -0.415 25493 5956 1 13 . 1 1 75 75 LYS C C 75 178.300 178.300 178.672 -0.372 25493 5957 1 13 . 1 1 75 75 LYS CA C 75 60.300 60.300 58.310 1.990 25493 5958 1 13 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.264 0.236 25493 5959 1 13 . 1 1 75 75 LYS H H 75 8.200 8.200 7.687 0.513 25493 5960 1 13 . 1 1 76 76 LYS N N 76 118.800 118.800 120.298 -1.498 25493 5961 1 13 . 1 1 76 76 LYS HA H 76 3.890 3.890 3.979 -0.089 25493 5962 1 13 . 1 1 76 76 LYS C C 76 179.200 179.200 178.319 0.881 25493 5963 1 13 . 1 1 76 76 LYS CA C 76 59.800 59.800 59.385 0.416 25493 5964 1 13 . 1 1 76 76 LYS CB C 76 32.400 32.400 32.564 -0.164 25493 5965 1 13 . 1 1 76 76 LYS H H 76 7.630 7.630 7.579 0.051 25493 5966 1 13 . 1 1 77 77 LEU N N 77 121.400 121.400 119.486 1.914 25493 5967 1 13 . 1 1 77 77 LEU HA H 77 3.630 3.630 3.968 -0.338 25493 5968 1 13 . 1 1 77 77 LEU C C 77 178.200 178.200 178.921 -0.721 25493 5969 1 13 . 1 1 77 77 LEU CA C 77 57.600 57.600 56.590 1.010 25493 5970 1 13 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.103 -0.303 25493 5971 1 13 . 1 1 77 77 LEU H H 77 7.430 7.430 8.066 -0.636 25493 5972 1 13 . 1 1 78 78 LEU N N 78 117.600 117.600 120.713 -3.113 25493 5973 1 13 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.818 -0.058 25493 5974 1 13 . 1 1 78 78 LEU C C 78 180.300 180.300 178.482 1.818 25493 5975 1 13 . 1 1 78 78 LEU CA C 78 58.100 58.100 58.276 -0.176 25493 5976 1 13 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.860 0.340 25493 5977 1 13 . 1 1 78 78 LEU H H 78 7.960 7.960 8.328 -0.368 25493 5978 1 13 . 1 1 79 79 ARG N N 79 119.800 119.800 116.911 2.889 25493 5979 1 13 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.918 0.192 25493 5980 1 13 . 1 1 79 79 ARG C C 79 179.500 179.500 178.000 1.500 25493 5981 1 13 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.189 1.011 25493 5982 1 13 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.599 0.101 25493 5983 1 13 . 1 1 79 79 ARG H H 79 8.110 8.110 7.615 0.495 25493 5984 1 13 . 1 1 80 80 SER N N 80 117.800 117.800 115.117 2.683 25493 5985 1 13 . 1 1 80 80 SER HA H 80 4.310 4.310 4.074 0.236 25493 5986 1 13 . 1 1 80 80 SER C C 80 177.000 177.000 175.064 1.936 25493 5987 1 13 . 1 1 80 80 SER CA C 80 61.500 61.500 60.551 0.949 25493 5988 1 13 . 1 1 80 80 SER CB C 80 62.500 62.500 62.877 -0.377 25493 5989 1 13 . 1 1 80 80 SER H H 80 7.870 7.870 7.203 0.667 25493 5990 1 13 . 1 1 81 81 TRP N N 81 123.300 123.300 117.109 6.191 25493 5991 1 13 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.022 -0.212 25493 5992 1 13 . 1 1 81 81 TRP C C 81 178.200 178.200 177.274 0.926 25493 5993 1 13 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.766 0.734 25493 5994 1 13 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.491 0.710 25493 5995 1 13 . 1 1 81 81 TRP H H 81 8.010 8.010 7.105 0.905 25493 5996 1 13 . 1 1 82 82 GLN N N 82 120.400 120.400 122.244 -1.844 25493 5997 1 13 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.119 -0.039 25493 5998 1 13 . 1 1 82 82 GLN C C 82 177.600 177.600 176.360 1.240 25493 5999 1 13 . 1 1 82 82 GLN CA C 82 59.200 59.200 58.446 0.754 25493 6000 1 13 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.480 -0.280 25493 6001 1 13 . 1 1 82 82 GLN H H 82 8.080 8.080 7.889 0.191 25493 6002 1 13 . 1 1 83 83 LYS N N 83 115.600 115.600 117.490 -1.890 25493 6003 1 13 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.132 0.088 25493 6004 1 13 . 1 1 83 83 LYS C C 83 177.400 177.400 177.234 0.166 25493 6005 1 13 . 1 1 83 83 LYS CA C 83 57.600 57.600 58.474 -0.874 25493 6006 1 13 . 1 1 83 83 LYS CB C 83 32.500 32.500 32.047 0.453 25493 6007 1 13 . 1 1 83 83 LYS H H 83 7.770 7.770 8.404 -0.634 25493 6008 1 13 . 1 1 84 84 LEU N N 84 117.900 117.900 115.999 1.901 25493 6009 1 13 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.561 -0.281 25493 6010 1 13 . 1 1 84 84 LEU C C 84 177.500 177.500 176.468 1.032 25493 6011 1 13 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.127 0.873 25493 6012 1 13 . 1 1 84 84 LEU CB C 84 42.900 42.900 43.768 -0.868 25493 6013 1 13 . 1 1 84 84 LEU H H 84 7.670 7.670 7.874 -0.204 25493 6014 1 13 . 1 1 85 85 ILE N N 85 115.400 115.400 111.884 3.516 25493 6015 1 13 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.488 -0.358 25493 6016 1 13 . 1 1 85 85 ILE C C 85 175.100 175.100 174.708 0.392 25493 6017 1 13 . 1 1 85 85 ILE CA C 85 61.400 61.400 58.391 3.009 25493 6018 1 13 . 1 1 85 85 ILE CB C 85 39.600 39.600 40.851 -1.251 25493 6019 1 13 . 1 1 85 85 ILE H H 85 7.490 7.490 7.535 -0.045 25493 6020 1 14 . 1 1 7 7 ALA N N 7 123.700 123.700 122.768 0.932 25493 6021 1 14 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.513 -0.093 25493 6022 1 14 . 1 1 7 7 ALA C C 7 176.700 176.700 175.310 1.390 25493 6023 1 14 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.828 -0.228 25493 6024 1 14 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.779 -0.879 25493 6025 1 14 . 1 1 7 7 ALA H H 7 8.040 8.040 7.887 0.153 25493 6026 1 14 . 1 1 8 8 SER N N 8 117.100 117.100 117.069 0.031 25493 6027 1 14 . 1 1 8 8 SER HA H 8 4.750 4.750 4.368 0.382 25493 6028 1 14 . 1 1 8 8 SER CA C 8 56.000 56.000 56.181 -0.181 25493 6029 1 14 . 1 1 8 8 SER CB C 8 63.300 63.300 63.530 -0.230 25493 6030 1 14 . 1 1 8 8 SER H H 8 8.430 8.430 8.329 0.101 25493 6031 1 14 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.854 0.086 25493 6032 1 14 . 1 1 9 9 PRO C C 9 177.400 177.400 178.108 -0.708 25493 6033 1 14 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.504 0.296 25493 6034 1 14 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.647 0.353 25493 6035 1 14 . 1 1 10 10 GLN N N 10 116.000 116.000 116.320 -0.320 25493 6036 1 14 . 1 1 10 10 GLN HA H 10 3.660 3.660 3.977 -0.317 25493 6037 1 14 . 1 1 10 10 GLN C C 10 177.500 177.500 178.194 -0.694 25493 6038 1 14 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.473 0.827 25493 6039 1 14 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.763 -0.263 25493 6040 1 14 . 1 1 10 10 GLN H H 10 8.350 8.350 8.342 0.008 25493 6041 1 14 . 1 1 11 11 GLN N N 11 119.200 119.200 119.043 0.157 25493 6042 1 14 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.132 -0.052 25493 6043 1 14 . 1 1 11 11 GLN C C 11 179.600 179.600 178.335 1.265 25493 6044 1 14 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.355 0.545 25493 6045 1 14 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.737 -0.137 25493 6046 1 14 . 1 1 11 11 GLN H H 11 7.680 7.680 7.716 -0.036 25493 6047 1 14 . 1 1 12 12 ILE N N 12 121.300 121.300 114.949 6.351 25493 6048 1 14 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.868 -0.338 25493 6049 1 14 . 1 1 12 12 ILE C C 12 177.200 177.200 177.325 -0.125 25493 6050 1 14 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.648 1.651 25493 6051 1 14 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.150 0.250 25493 6052 1 14 . 1 1 12 12 ILE H H 12 8.190 8.190 8.283 -0.093 25493 6053 1 14 . 1 1 13 13 ARG N N 13 120.200 120.200 122.108 -1.908 25493 6054 1 14 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.914 -0.174 25493 6055 1 14 . 1 1 13 13 ARG C C 13 177.700 177.700 177.892 -0.192 25493 6056 1 14 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.964 0.336 25493 6057 1 14 . 1 1 13 13 ARG CB C 13 28.200 28.200 30.069 -1.869 25493 6058 1 14 . 1 1 13 13 ARG H H 13 8.320 8.320 8.049 0.271 25493 6059 1 14 . 1 1 14 14 ASP N N 14 119.200 119.200 117.595 1.605 25493 6060 1 14 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.530 -0.200 25493 6061 1 14 . 1 1 14 14 ASP C C 14 178.800 178.800 176.784 2.016 25493 6062 1 14 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.936 2.064 25493 6063 1 14 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.231 -0.631 25493 6064 1 14 . 1 1 14 14 ASP H H 14 8.280 8.280 8.048 0.232 25493 6065 1 14 . 1 1 15 15 ARG N N 15 120.400 120.400 118.254 2.146 25493 6066 1 14 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.435 -0.465 25493 6067 1 14 . 1 1 15 15 ARG C C 15 179.300 179.300 177.714 1.586 25493 6068 1 14 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.943 2.257 25493 6069 1 14 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.938 -1.938 25493 6070 1 14 . 1 1 15 15 ARG H H 15 7.980 7.980 7.422 0.558 25493 6071 1 14 . 1 1 16 16 LEU N N 16 120.500 120.500 121.226 -0.726 25493 6072 1 14 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.217 -0.247 25493 6073 1 14 . 1 1 16 16 LEU C C 16 178.500 178.500 177.870 0.630 25493 6074 1 14 . 1 1 16 16 LEU CA C 16 58.100 58.100 58.135 -0.035 25493 6075 1 14 . 1 1 16 16 LEU CB C 16 41.200 41.200 42.395 -1.194 25493 6076 1 14 . 1 1 16 16 LEU H H 16 8.210 8.210 8.446 -0.236 25493 6077 1 14 . 1 1 17 17 LEU N N 17 116.100 116.100 119.614 -3.514 25493 6078 1 14 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.076 -0.076 25493 6079 1 14 . 1 1 17 17 LEU C C 17 179.400 179.400 178.709 0.691 25493 6080 1 14 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.642 -0.042 25493 6081 1 14 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.254 0.446 25493 6082 1 14 . 1 1 17 17 LEU H H 17 8.310 8.310 8.376 -0.066 25493 6083 1 14 . 1 1 18 18 GLN N N 18 114.300 114.300 115.588 -1.288 25493 6084 1 14 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.079 0.161 25493 6085 1 14 . 1 1 18 18 GLN C C 18 176.700 176.700 178.372 -1.672 25493 6086 1 14 . 1 1 18 18 GLN CA C 18 57.000 57.000 57.519 -0.519 25493 6087 1 14 . 1 1 18 18 GLN CB C 18 28.800 28.800 28.147 0.653 25493 6088 1 14 . 1 1 18 18 GLN H H 18 7.460 7.460 7.973 -0.513 25493 6089 1 14 . 1 1 19 19 ALA N N 19 120.800 120.800 121.706 -0.906 25493 6090 1 14 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.246 0.244 25493 6091 1 14 . 1 1 19 19 ALA C C 19 176.000 176.000 177.283 -1.283 25493 6092 1 14 . 1 1 19 19 ALA CA C 19 52.600 52.600 54.034 -1.434 25493 6093 1 14 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.031 3.069 25493 6094 1 14 . 1 1 19 19 ALA H H 19 7.770 7.770 7.781 -0.011 25493 6095 1 14 . 1 1 20 20 ILE N N 20 113.500 113.500 111.801 1.699 25493 6096 1 14 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.634 0.566 25493 6097 1 14 . 1 1 20 20 ILE C C 20 173.600 173.600 174.238 -0.638 25493 6098 1 14 . 1 1 20 20 ILE CA C 20 59.200 59.200 58.668 0.532 25493 6099 1 14 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.687 2.113 25493 6100 1 14 . 1 1 20 20 ILE H H 20 7.360 7.360 7.450 -0.090 25493 6101 1 14 . 1 1 21 21 ASP N N 21 122.500 122.500 118.664 3.836 25493 6102 1 14 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.149 -0.169 25493 6103 1 14 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.790 0.310 25493 6104 1 14 . 1 1 21 21 ASP CB C 21 41.200 41.200 42.002 -0.802 25493 6105 1 14 . 1 1 21 21 ASP H H 21 8.530 8.530 8.430 0.100 25493 6106 1 14 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.417 0.033 25493 6107 1 14 . 1 1 22 22 PRO C C 22 177.500 177.500 177.727 -0.227 25493 6108 1 14 . 1 1 22 22 PRO CA C 22 65.200 65.200 64.531 0.669 25493 6109 1 14 . 1 1 22 22 PRO CB C 22 31.900 31.900 32.337 -0.437 25493 6110 1 14 . 1 1 23 23 GLN N N 23 115.900 115.900 118.626 -2.726 25493 6111 1 14 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.119 0.301 25493 6112 1 14 . 1 1 23 23 GLN C C 23 174.800 174.800 176.323 -1.523 25493 6113 1 14 . 1 1 23 23 GLN CA C 23 55.400 55.400 58.712 -3.312 25493 6114 1 14 . 1 1 23 23 GLN CB C 23 28.700 28.700 29.517 -0.817 25493 6115 1 14 . 1 1 23 23 GLN H H 23 7.950 7.950 8.251 -0.301 25493 6116 1 14 . 1 1 24 24 SER N N 24 107.900 107.900 106.310 1.590 25493 6117 1 14 . 1 1 24 24 SER HA H 24 3.730 3.730 4.522 -0.792 25493 6118 1 14 . 1 1 24 24 SER C C 24 173.200 173.200 174.049 -0.849 25493 6119 1 14 . 1 1 24 24 SER CA C 24 60.300 60.300 57.539 2.761 25493 6120 1 14 . 1 1 24 24 SER CB C 24 60.300 60.300 64.041 -3.741 25493 6121 1 14 . 1 1 24 24 SER H H 24 8.270 8.270 7.780 0.490 25493 6122 1 14 . 1 1 25 25 ASN N N 25 117.000 117.000 121.763 -4.763 25493 6123 1 14 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.735 -0.205 25493 6124 1 14 . 1 1 25 25 ASN C C 25 175.600 175.600 174.614 0.986 25493 6125 1 14 . 1 1 25 25 ASN CA C 25 52.800 52.800 54.247 -1.447 25493 6126 1 14 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.472 -0.972 25493 6127 1 14 . 1 1 25 25 ASN H H 25 8.500 8.500 7.920 0.580 25493 6128 1 14 . 1 1 26 26 ILE N N 26 122.400 122.400 117.801 4.599 25493 6129 1 14 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.167 -0.347 25493 6130 1 14 . 1 1 26 26 ILE C C 26 176.400 176.400 176.828 -0.428 25493 6131 1 14 . 1 1 26 26 ILE CA C 26 63.600 63.600 61.004 2.596 25493 6132 1 14 . 1 1 26 26 ILE CB C 26 38.600 38.600 38.912 -0.312 25493 6133 1 14 . 1 1 26 26 ILE H H 26 8.890 8.890 8.562 0.328 25493 6134 1 14 . 1 1 27 27 ARG N N 27 127.600 127.600 118.494 9.106 25493 6135 1 14 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.858 0.672 25493 6136 1 14 . 1 1 27 27 ARG C C 27 176.000 176.000 176.717 -0.717 25493 6137 1 14 . 1 1 27 27 ARG CA C 27 56.500 56.500 59.037 -2.537 25493 6138 1 14 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.841 2.559 25493 6139 1 14 . 1 1 27 27 ARG H H 27 9.070 9.070 8.417 0.653 25493 6140 1 14 . 1 1 28 28 ASN N N 28 117.300 117.300 119.162 -1.862 25493 6141 1 14 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.941 -0.011 25493 6142 1 14 . 1 1 28 28 ASN C C 28 174.300 174.300 175.192 -0.892 25493 6143 1 14 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.761 -0.161 25493 6144 1 14 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.279 0.722 25493 6145 1 14 . 1 1 28 28 ASN H H 28 7.510 7.510 8.298 -0.788 25493 6146 1 14 . 1 1 29 29 MET N N 29 125.700 125.700 122.391 3.309 25493 6147 1 14 . 1 1 29 29 MET HA H 29 4.190 4.190 4.137 0.053 25493 6148 1 14 . 1 1 29 29 MET C C 29 177.300 177.300 176.722 0.578 25493 6149 1 14 . 1 1 29 29 MET CA C 29 57.600 57.600 59.045 -1.445 25493 6150 1 14 . 1 1 29 29 MET CB C 29 31.400 31.400 32.706 -1.306 25493 6151 1 14 . 1 1 29 29 MET H H 29 8.940 8.940 7.985 0.955 25493 6152 1 14 . 1 1 30 30 VAL N N 30 118.600 118.600 118.256 0.344 25493 6153 1 14 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.778 -0.258 25493 6154 1 14 . 1 1 30 30 VAL C C 30 178.800 178.800 177.237 1.563 25493 6155 1 14 . 1 1 30 30 VAL CA C 30 66.900 66.900 64.922 1.978 25493 6156 1 14 . 1 1 30 30 VAL CB C 30 31.500 31.500 31.125 0.375 25493 6157 1 14 . 1 1 30 30 VAL H H 30 7.910 7.910 7.796 0.114 25493 6158 1 14 . 1 1 31 31 ALA N N 31 120.600 120.600 121.119 -0.519 25493 6159 1 14 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.275 -0.145 25493 6160 1 14 . 1 1 31 31 ALA C C 31 180.300 180.300 179.290 1.010 25493 6161 1 14 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.746 -0.446 25493 6162 1 14 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.652 0.248 25493 6163 1 14 . 1 1 31 31 ALA H H 31 7.270 7.270 8.250 -0.980 25493 6164 1 14 . 1 1 32 32 VAL N N 32 117.900 117.900 118.556 -0.656 25493 6165 1 14 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.998 -0.618 25493 6166 1 14 . 1 1 32 32 VAL C C 32 177.700 177.700 176.643 1.057 25493 6167 1 14 . 1 1 32 32 VAL CA C 32 67.700 67.700 63.722 3.978 25493 6168 1 14 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.044 -1.144 25493 6169 1 14 . 1 1 32 32 VAL H H 32 7.640 7.640 7.518 0.122 25493 6170 1 14 . 1 1 33 33 LEU N N 33 119.900 119.900 121.347 -1.447 25493 6171 1 14 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.203 -0.293 25493 6172 1 14 . 1 1 33 33 LEU C C 33 179.900 179.900 178.476 1.424 25493 6173 1 14 . 1 1 33 33 LEU CA C 33 58.300 58.300 56.938 1.361 25493 6174 1 14 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.087 -0.386 25493 6175 1 14 . 1 1 33 33 LEU H H 33 8.450 8.450 8.419 0.031 25493 6176 1 14 . 1 1 34 34 GLU N N 34 121.200 121.200 120.466 0.734 25493 6177 1 14 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.080 -0.020 25493 6178 1 14 . 1 1 34 34 GLU C C 34 179.800 179.800 179.019 0.781 25493 6179 1 14 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.430 0.370 25493 6180 1 14 . 1 1 34 34 GLU CB C 34 29.300 29.300 28.936 0.364 25493 6181 1 14 . 1 1 34 34 GLU H H 34 8.080 8.080 7.963 0.117 25493 6182 1 14 . 1 1 35 35 VAL N N 35 122.400 122.400 119.704 2.696 25493 6183 1 14 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.792 -0.193 25493 6184 1 14 . 1 1 35 35 VAL C C 35 177.900 177.900 177.240 0.660 25493 6185 1 14 . 1 1 35 35 VAL CA C 35 67.100 67.100 65.927 1.173 25493 6186 1 14 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.458 -0.558 25493 6187 1 14 . 1 1 35 35 VAL H H 35 8.060 8.060 7.411 0.649 25493 6188 1 14 . 1 1 36 36 ILE N N 36 119.800 119.800 120.059 -0.259 25493 6189 1 14 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.876 -0.316 25493 6190 1 14 . 1 1 36 36 ILE C C 36 177.500 177.500 178.319 -0.819 25493 6191 1 14 . 1 1 36 36 ILE CA C 36 64.200 64.200 64.043 0.157 25493 6192 1 14 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.591 -0.291 25493 6193 1 14 . 1 1 36 36 ILE H H 36 8.420 8.420 7.453 0.967 25493 6194 1 14 . 1 1 37 37 SER N N 37 114.700 114.700 113.668 1.032 25493 6195 1 14 . 1 1 37 37 SER HA H 37 4.290 4.290 4.219 0.071 25493 6196 1 14 . 1 1 37 37 SER C C 37 177.300 177.300 175.464 1.836 25493 6197 1 14 . 1 1 37 37 SER CA C 37 61.900 61.900 60.695 1.205 25493 6198 1 14 . 1 1 37 37 SER CB C 37 63.100 63.100 62.761 0.339 25493 6199 1 14 . 1 1 37 37 SER H H 37 8.430 8.430 8.545 -0.115 25493 6200 1 14 . 1 1 38 38 SER N N 38 117.200 117.200 117.743 -0.543 25493 6201 1 14 . 1 1 38 38 SER HA H 38 4.290 4.290 4.475 -0.185 25493 6202 1 14 . 1 1 38 38 SER C C 38 176.700 176.700 176.635 0.065 25493 6203 1 14 . 1 1 38 38 SER CA C 38 62.500 62.500 61.559 0.941 25493 6204 1 14 . 1 1 38 38 SER CB C 38 63.100 63.100 63.724 -0.624 25493 6205 1 14 . 1 1 38 38 SER H H 38 8.200 8.200 7.598 0.602 25493 6206 1 14 . 1 1 39 39 LEU N N 39 121.600 121.600 122.476 -0.876 25493 6207 1 14 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.212 0.158 25493 6208 1 14 . 1 1 39 39 LEU C C 39 178.700 178.700 178.961 -0.261 25493 6209 1 14 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.608 -0.508 25493 6210 1 14 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.487 1.313 25493 6211 1 14 . 1 1 39 39 LEU H H 39 8.150 8.150 8.645 -0.495 25493 6212 1 14 . 1 1 40 40 GLU N N 40 118.600 118.600 118.295 0.305 25493 6213 1 14 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.238 -0.338 25493 6214 1 14 . 1 1 40 40 GLU C C 40 178.100 178.100 177.008 1.092 25493 6215 1 14 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.432 0.268 25493 6216 1 14 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.306 0.994 25493 6217 1 14 . 1 1 40 40 GLU H H 40 8.190 8.190 8.211 -0.021 25493 6218 1 14 . 1 1 41 41 LYS N N 41 116.300 116.300 116.142 0.158 25493 6219 1 14 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.505 -0.275 25493 6220 1 14 . 1 1 41 41 LYS C C 41 175.800 175.800 175.548 0.252 25493 6221 1 14 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.520 1.080 25493 6222 1 14 . 1 1 41 41 LYS CB C 41 33.600 33.600 32.482 1.118 25493 6223 1 14 . 1 1 41 41 LYS H H 41 7.440 7.440 7.898 -0.458 25493 6224 1 14 . 1 1 42 42 TYR N N 42 121.400 121.400 123.489 -2.089 25493 6225 1 14 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.824 0.036 25493 6226 1 14 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.312 0.088 25493 6227 1 14 . 1 1 42 42 TYR CB C 42 39.600 39.600 40.725 -1.125 25493 6228 1 14 . 1 1 42 42 TYR H H 42 7.730 7.730 7.864 -0.134 25493 6229 1 14 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.614 0.146 25493 6230 1 14 . 1 1 43 43 PRO C C 43 175.800 175.800 175.397 0.403 25493 6231 1 14 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.383 0.117 25493 6232 1 14 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.564 -0.265 25493 6233 1 14 . 1 1 44 44 ILE N N 44 124.000 124.000 123.875 0.125 25493 6234 1 14 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.020 0.450 25493 6235 1 14 . 1 1 44 44 ILE C C 44 174.300 174.300 175.952 -1.652 25493 6236 1 14 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.358 -1.058 25493 6237 1 14 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.486 3.215 25493 6238 1 14 . 1 1 44 44 ILE H H 44 8.200 8.200 7.776 0.424 25493 6239 1 14 . 1 1 45 45 THR N N 45 112.200 112.200 115.446 -3.246 25493 6240 1 14 . 1 1 45 45 THR HA H 45 4.530 4.530 4.813 -0.283 25493 6241 1 14 . 1 1 45 45 THR C C 45 175.100 175.100 175.379 -0.279 25493 6242 1 14 . 1 1 45 45 THR CA C 45 59.800 59.800 59.821 -0.021 25493 6243 1 14 . 1 1 45 45 THR CB C 45 72.300 72.300 71.174 1.126 25493 6244 1 14 . 1 1 45 45 THR H H 45 7.330 7.330 7.682 -0.352 25493 6245 1 14 . 1 1 46 46 LYS N N 46 121.500 121.500 122.745 -1.245 25493 6246 1 14 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.880 -0.140 25493 6247 1 14 . 1 1 46 46 LYS C C 46 178.200 178.200 178.731 -0.531 25493 6248 1 14 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.310 0.690 25493 6249 1 14 . 1 1 46 46 LYS CB C 46 32.500 32.500 32.085 0.415 25493 6250 1 14 . 1 1 46 46 LYS H H 46 9.090 9.090 8.761 0.329 25493 6251 1 14 . 1 1 47 47 GLU N N 47 118.400 118.400 119.398 -0.998 25493 6252 1 14 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.061 -0.041 25493 6253 1 14 . 1 1 47 47 GLU C C 47 179.000 179.000 177.430 1.570 25493 6254 1 14 . 1 1 47 47 GLU CA C 47 60.800 60.800 58.811 1.989 25493 6255 1 14 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.378 -0.678 25493 6256 1 14 . 1 1 47 47 GLU H H 47 9.010 9.010 8.724 0.286 25493 6257 1 14 . 1 1 48 48 ALA N N 48 122.300 122.300 119.929 2.371 25493 6258 1 14 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.239 0.031 25493 6259 1 14 . 1 1 48 48 ALA C C 48 181.900 181.900 178.848 3.052 25493 6260 1 14 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.870 1.030 25493 6261 1 14 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.951 -1.151 25493 6262 1 14 . 1 1 48 48 ALA H H 48 7.860 7.860 7.608 0.252 25493 6263 1 14 . 1 1 49 49 LEU N N 49 122.200 122.200 121.710 0.490 25493 6264 1 14 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.144 -0.564 25493 6265 1 14 . 1 1 49 49 LEU C C 49 179.800 179.800 178.049 1.751 25493 6266 1 14 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.535 1.165 25493 6267 1 14 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.587 -0.287 25493 6268 1 14 . 1 1 49 49 LEU H H 49 8.260 8.260 8.081 0.179 25493 6269 1 14 . 1 1 50 50 GLU N N 50 120.400 120.400 118.143 2.257 25493 6270 1 14 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.004 0.036 25493 6271 1 14 . 1 1 50 50 GLU C C 50 178.900 178.900 178.781 0.119 25493 6272 1 14 . 1 1 50 50 GLU CA C 50 59.200 59.200 59.309 -0.109 25493 6273 1 14 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.191 0.009 25493 6274 1 14 . 1 1 50 50 GLU H H 50 8.120 8.120 8.320 -0.200 25493 6275 1 14 . 1 1 51 51 GLU N N 51 118.500 118.500 121.134 -2.634 25493 6276 1 14 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.184 -0.134 25493 6277 1 14 . 1 1 51 51 GLU C C 51 178.800 178.800 178.519 0.281 25493 6278 1 14 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.630 0.570 25493 6279 1 14 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.578 0.722 25493 6280 1 14 . 1 1 51 51 GLU H H 51 8.200 8.200 8.224 -0.024 25493 6281 1 14 . 1 1 52 52 THR N N 52 104.700 104.700 109.684 -4.984 25493 6282 1 14 . 1 1 52 52 THR HA H 52 4.090 4.090 4.231 -0.141 25493 6283 1 14 . 1 1 52 52 THR C C 52 175.400 175.400 174.550 0.850 25493 6284 1 14 . 1 1 52 52 THR CA C 52 63.100 63.100 62.614 0.486 25493 6285 1 14 . 1 1 52 52 THR CB C 52 71.800 71.800 68.992 2.808 25493 6286 1 14 . 1 1 52 52 THR H H 52 7.840 7.840 7.974 -0.134 25493 6287 1 14 . 1 1 53 53 ARG N N 53 114.400 114.400 116.944 -2.544 25493 6288 1 14 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.894 0.216 25493 6289 1 14 . 1 1 53 53 ARG C C 53 177.200 177.200 176.138 1.062 25493 6290 1 14 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.857 0.443 25493 6291 1 14 . 1 1 53 53 ARG CB C 53 27.500 27.500 26.784 0.716 25493 6292 1 14 . 1 1 53 53 ARG H H 53 7.680 7.680 7.622 0.058 25493 6293 1 14 . 1 1 54 54 LEU N N 54 117.200 117.200 119.843 -2.643 25493 6294 1 14 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.116 -0.306 25493 6295 1 14 . 1 1 54 54 LEU C C 54 178.200 178.200 178.312 -0.112 25493 6296 1 14 . 1 1 54 54 LEU CA C 54 58.700 58.700 57.898 0.802 25493 6297 1 14 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.627 1.773 25493 6298 1 14 . 1 1 54 54 LEU H H 54 7.460 7.460 7.560 -0.100 25493 6299 1 14 . 1 1 55 55 GLY N N 55 105.900 105.900 106.349 -0.449 25493 6300 1 14 . 1 1 55 55 GLY C C 55 175.500 175.500 175.553 -0.053 25493 6301 1 14 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.222 -0.022 25493 6302 1 14 . 1 1 55 55 GLY H H 55 8.650 8.650 8.246 0.404 25493 6303 1 14 . 1 1 56 56 LYS N N 56 123.300 123.300 121.236 2.064 25493 6304 1 14 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.070 0.040 25493 6305 1 14 . 1 1 56 56 LYS C C 56 178.300 178.300 177.841 0.459 25493 6306 1 14 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.842 0.358 25493 6307 1 14 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.262 0.238 25493 6308 1 14 . 1 1 56 56 LYS H H 56 7.210 7.210 7.513 -0.303 25493 6309 1 14 . 1 1 57 57 LEU N N 57 117.700 117.700 119.092 -1.392 25493 6310 1 14 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.186 -0.006 25493 6311 1 14 . 1 1 57 57 LEU C C 57 179.600 179.600 178.633 0.967 25493 6312 1 14 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.203 0.497 25493 6313 1 14 . 1 1 57 57 LEU CB C 57 43.400 43.400 42.532 0.868 25493 6314 1 14 . 1 1 57 57 LEU H H 57 7.900 7.900 7.433 0.467 25493 6315 1 14 . 1 1 58 58 ILE N N 58 116.600 116.600 119.867 -3.267 25493 6316 1 14 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.693 -0.013 25493 6317 1 14 . 1 1 58 58 ILE C C 58 177.900 177.900 177.734 0.166 25493 6318 1 14 . 1 1 58 58 ILE CA C 58 63.100 63.100 64.262 -1.162 25493 6319 1 14 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.845 -1.045 25493 6320 1 14 . 1 1 58 58 ILE H H 58 8.640 8.640 7.787 0.853 25493 6321 1 14 . 1 1 59 59 ASN N N 59 119.600 119.600 117.536 2.064 25493 6322 1 14 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.576 -0.206 25493 6323 1 14 . 1 1 59 59 ASN C C 59 176.700 176.700 175.878 0.822 25493 6324 1 14 . 1 1 59 59 ASN CA C 59 57.000 57.000 55.536 1.464 25493 6325 1 14 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.077 0.423 25493 6326 1 14 . 1 1 59 59 ASN H H 59 8.120 8.120 8.618 -0.498 25493 6327 1 14 . 1 1 60 60 ASP N N 60 119.600 119.600 120.407 -0.807 25493 6328 1 14 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.742 -0.362 25493 6329 1 14 . 1 1 60 60 ASP C C 60 179.400 179.400 178.077 1.323 25493 6330 1 14 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.486 1.114 25493 6331 1 14 . 1 1 60 60 ASP CB C 60 39.600 39.600 41.797 -2.197 25493 6332 1 14 . 1 1 60 60 ASP H H 60 8.490 8.490 7.622 0.868 25493 6333 1 14 . 1 1 61 61 VAL N N 61 118.700 118.700 122.671 -3.971 25493 6334 1 14 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.760 -0.010 25493 6335 1 14 . 1 1 61 61 VAL C C 61 179.000 179.000 176.809 2.191 25493 6336 1 14 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.505 0.295 25493 6337 1 14 . 1 1 61 61 VAL CB C 61 32.500 32.500 31.907 0.593 25493 6338 1 14 . 1 1 61 61 VAL H H 61 7.930 7.930 8.399 -0.469 25493 6339 1 14 . 1 1 62 62 ARG N N 62 120.900 120.900 116.938 3.962 25493 6340 1 14 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.110 -0.460 25493 6341 1 14 . 1 1 62 62 ARG C C 62 177.100 177.100 176.532 0.568 25493 6342 1 14 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.155 1.045 25493 6343 1 14 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.653 0.147 25493 6344 1 14 . 1 1 62 62 ARG H H 62 8.620 8.620 7.764 0.856 25493 6345 1 14 . 1 1 63 63 LYS N N 63 115.700 115.700 118.231 -2.531 25493 6346 1 14 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.338 -0.408 25493 6347 1 14 . 1 1 63 63 LYS C C 63 177.600 177.600 178.385 -0.785 25493 6348 1 14 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.505 1.695 25493 6349 1 14 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.603 0.397 25493 6350 1 14 . 1 1 63 63 LYS H H 63 7.940 7.940 7.645 0.295 25493 6351 1 14 . 1 1 64 64 LYS N N 64 115.300 115.300 119.718 -4.418 25493 6352 1 14 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.232 0.198 25493 6353 1 14 . 1 1 64 64 LYS C C 64 176.900 176.900 177.142 -0.242 25493 6354 1 14 . 1 1 64 64 LYS CA C 64 55.400 55.400 57.842 -2.442 25493 6355 1 14 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.347 0.753 25493 6356 1 14 . 1 1 64 64 LYS H H 64 7.130 7.130 7.737 -0.607 25493 6357 1 14 . 1 1 65 65 THR N N 65 113.500 113.500 112.414 1.086 25493 6358 1 14 . 1 1 65 65 THR HA H 65 4.520 4.520 4.536 -0.016 25493 6359 1 14 . 1 1 65 65 THR C C 65 173.200 173.200 172.740 0.460 25493 6360 1 14 . 1 1 65 65 THR CA C 65 62.000 62.000 60.973 1.027 25493 6361 1 14 . 1 1 65 65 THR CB C 65 69.600 69.600 70.210 -0.610 25493 6362 1 14 . 1 1 65 65 THR H H 65 7.250 7.250 7.787 -0.537 25493 6363 1 14 . 1 1 66 66 LYS N N 66 125.700 125.700 121.442 4.258 25493 6364 1 14 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.595 -0.085 25493 6365 1 14 . 1 1 66 66 LYS C C 66 175.900 175.900 175.592 0.308 25493 6366 1 14 . 1 1 66 66 LYS CA C 66 55.400 55.400 54.679 0.721 25493 6367 1 14 . 1 1 66 66 LYS CB C 66 32.000 32.000 31.510 0.490 25493 6368 1 14 . 1 1 66 66 LYS H H 66 8.500 8.500 8.473 0.027 25493 6369 1 14 . 1 1 67 67 ASN N N 67 122.100 122.100 119.677 2.423 25493 6370 1 14 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.510 0.180 25493 6371 1 14 . 1 1 67 67 ASN C C 67 174.400 174.400 176.664 -2.264 25493 6372 1 14 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.183 0.017 25493 6373 1 14 . 1 1 67 67 ASN CB C 67 39.000 39.000 38.514 0.486 25493 6374 1 14 . 1 1 67 67 ASN H H 67 8.570 8.570 8.159 0.411 25493 6375 1 14 . 1 1 68 68 GLU N N 68 128.400 128.400 123.936 4.464 25493 6376 1 14 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.889 0.101 25493 6377 1 14 . 1 1 68 68 GLU C C 68 178.500 178.500 177.246 1.254 25493 6378 1 14 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.182 0.118 25493 6379 1 14 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.171 0.629 25493 6380 1 14 . 1 1 68 68 GLU H H 68 8.850 8.850 8.787 0.063 25493 6381 1 14 . 1 1 69 69 GLU N N 69 120.300 120.300 119.143 1.157 25493 6382 1 14 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.294 -0.264 25493 6383 1 14 . 1 1 69 69 GLU C C 69 179.000 179.000 178.106 0.894 25493 6384 1 14 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.068 2.132 25493 6385 1 14 . 1 1 69 69 GLU CB C 69 29.200 29.200 30.094 -0.894 25493 6386 1 14 . 1 1 69 69 GLU H H 69 8.190 8.190 8.229 -0.039 25493 6387 1 14 . 1 1 70 70 LEU N N 70 121.300 121.300 122.080 -0.780 25493 6388 1 14 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.098 -0.228 25493 6389 1 14 . 1 1 70 70 LEU C C 70 178.500 178.500 178.662 -0.162 25493 6390 1 14 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.193 1.007 25493 6391 1 14 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.806 -1.106 25493 6392 1 14 . 1 1 70 70 LEU H H 70 8.120 8.120 7.649 0.470 25493 6393 1 14 . 1 1 71 71 ALA N N 71 121.000 121.000 120.471 0.529 25493 6394 1 14 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.876 -0.136 25493 6395 1 14 . 1 1 71 71 ALA C C 71 180.100 180.100 178.280 1.820 25493 6396 1 14 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.569 0.931 25493 6397 1 14 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.555 -0.855 25493 6398 1 14 . 1 1 71 71 ALA H H 71 8.330 8.330 8.783 -0.453 25493 6399 1 14 . 1 1 72 72 LYS N N 72 118.200 118.200 115.366 2.834 25493 6400 1 14 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.372 -0.412 25493 6401 1 14 . 1 1 72 72 LYS C C 72 179.800 179.800 178.477 1.323 25493 6402 1 14 . 1 1 72 72 LYS CA C 72 59.800 59.800 57.852 1.948 25493 6403 1 14 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.359 0.141 25493 6404 1 14 . 1 1 72 72 LYS H H 72 8.150 8.150 7.548 0.602 25493 6405 1 14 . 1 1 73 73 ARG N N 73 120.600 120.600 121.328 -0.728 25493 6406 1 14 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.106 -0.116 25493 6407 1 14 . 1 1 73 73 ARG C C 73 180.100 180.100 178.018 2.082 25493 6408 1 14 . 1 1 73 73 ARG CA C 73 59.300 59.300 59.110 0.190 25493 6409 1 14 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.407 1.593 25493 6410 1 14 . 1 1 73 73 ARG H H 73 8.140 8.140 8.510 -0.370 25493 6411 1 14 . 1 1 74 74 ALA N N 74 121.700 121.700 121.632 0.068 25493 6412 1 14 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.113 -0.333 25493 6413 1 14 . 1 1 74 74 ALA C C 74 178.100 178.100 179.695 -1.595 25493 6414 1 14 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.323 -0.423 25493 6415 1 14 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.195 -0.995 25493 6416 1 14 . 1 1 74 74 ALA H H 74 8.970 8.970 8.189 0.781 25493 6417 1 14 . 1 1 75 75 LYS N N 75 117.900 117.900 117.961 -0.061 25493 6418 1 14 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.060 -0.320 25493 6419 1 14 . 1 1 75 75 LYS C C 75 178.300 178.300 178.843 -0.543 25493 6420 1 14 . 1 1 75 75 LYS CA C 75 60.300 60.300 59.128 1.172 25493 6421 1 14 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.285 0.215 25493 6422 1 14 . 1 1 75 75 LYS H H 75 8.200 8.200 7.681 0.519 25493 6423 1 14 . 1 1 76 76 LYS N N 76 118.800 118.800 120.643 -1.843 25493 6424 1 14 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.049 -0.159 25493 6425 1 14 . 1 1 76 76 LYS C C 76 179.200 179.200 179.086 0.114 25493 6426 1 14 . 1 1 76 76 LYS CA C 76 59.800 59.800 59.171 0.629 25493 6427 1 14 . 1 1 76 76 LYS CB C 76 32.400 32.400 32.376 0.024 25493 6428 1 14 . 1 1 76 76 LYS H H 76 7.630 7.630 7.411 0.219 25493 6429 1 14 . 1 1 77 77 LEU N N 77 121.400 121.400 120.958 0.442 25493 6430 1 14 . 1 1 77 77 LEU HA H 77 3.630 3.630 3.677 -0.047 25493 6431 1 14 . 1 1 77 77 LEU C C 77 178.200 178.200 179.053 -0.853 25493 6432 1 14 . 1 1 77 77 LEU CA C 77 57.600 57.600 57.605 -0.005 25493 6433 1 14 . 1 1 77 77 LEU CB C 77 41.800 41.800 41.847 -0.047 25493 6434 1 14 . 1 1 77 77 LEU H H 77 7.430 7.430 8.354 -0.924 25493 6435 1 14 . 1 1 78 78 LEU N N 78 117.600 117.600 119.419 -1.819 25493 6436 1 14 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.737 0.023 25493 6437 1 14 . 1 1 78 78 LEU C C 78 180.300 180.300 178.326 1.974 25493 6438 1 14 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.294 0.805 25493 6439 1 14 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.779 0.421 25493 6440 1 14 . 1 1 78 78 LEU H H 78 7.960 7.960 8.191 -0.231 25493 6441 1 14 . 1 1 79 79 ARG N N 79 119.800 119.800 116.850 2.950 25493 6442 1 14 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.908 0.202 25493 6443 1 14 . 1 1 79 79 ARG C C 79 179.500 179.500 176.595 2.905 25493 6444 1 14 . 1 1 79 79 ARG CA C 79 59.200 59.200 57.982 1.218 25493 6445 1 14 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.563 0.137 25493 6446 1 14 . 1 1 79 79 ARG H H 79 8.110 8.110 7.719 0.391 25493 6447 1 14 . 1 1 80 80 SER N N 80 117.800 117.800 111.891 5.909 25493 6448 1 14 . 1 1 80 80 SER HA H 80 4.310 4.310 4.251 0.059 25493 6449 1 14 . 1 1 80 80 SER C C 80 177.000 177.000 174.238 2.762 25493 6450 1 14 . 1 1 80 80 SER CA C 80 61.500 61.500 59.778 1.722 25493 6451 1 14 . 1 1 80 80 SER CB C 80 62.500 62.500 63.459 -0.959 25493 6452 1 14 . 1 1 80 80 SER H H 80 7.870 7.870 7.216 0.654 25493 6453 1 14 . 1 1 81 81 TRP N N 81 123.300 123.300 115.440 7.860 25493 6454 1 14 . 1 1 81 81 TRP HA H 81 4.810 4.810 4.919 -0.109 25493 6455 1 14 . 1 1 81 81 TRP C C 81 178.200 178.200 177.180 1.020 25493 6456 1 14 . 1 1 81 81 TRP CA C 81 56.500 56.500 56.216 0.284 25493 6457 1 14 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.606 0.594 25493 6458 1 14 . 1 1 81 81 TRP H H 81 8.010 8.010 7.308 0.702 25493 6459 1 14 . 1 1 82 82 GLN N N 82 120.400 120.400 122.713 -2.313 25493 6460 1 14 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.003 0.077 25493 6461 1 14 . 1 1 82 82 GLN C C 82 177.600 177.600 177.248 0.352 25493 6462 1 14 . 1 1 82 82 GLN CA C 82 59.200 59.200 59.459 -0.259 25493 6463 1 14 . 1 1 82 82 GLN CB C 82 28.200 28.200 27.772 0.428 25493 6464 1 14 . 1 1 82 82 GLN H H 82 8.080 8.080 8.576 -0.496 25493 6465 1 14 . 1 1 83 83 LYS N N 83 115.600 115.600 117.078 -1.478 25493 6466 1 14 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.306 -0.086 25493 6467 1 14 . 1 1 83 83 LYS C C 83 177.400 177.400 177.223 0.177 25493 6468 1 14 . 1 1 83 83 LYS CA C 83 57.600 57.600 58.294 -0.694 25493 6469 1 14 . 1 1 83 83 LYS CB C 83 32.500 32.500 31.238 1.262 25493 6470 1 14 . 1 1 83 83 LYS H H 83 7.770 7.770 8.430 -0.660 25493 6471 1 14 . 1 1 84 84 LEU N N 84 117.900 117.900 118.326 -0.426 25493 6472 1 14 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.455 -0.175 25493 6473 1 14 . 1 1 84 84 LEU C C 84 177.500 177.500 178.542 -1.042 25493 6474 1 14 . 1 1 84 84 LEU CA C 84 56.000 56.000 56.038 -0.038 25493 6475 1 14 . 1 1 84 84 LEU CB C 84 42.900 42.900 43.327 -0.427 25493 6476 1 14 . 1 1 84 84 LEU H H 84 7.670 7.670 7.970 -0.300 25493 6477 1 14 . 1 1 85 85 ILE N N 85 115.400 115.400 111.532 3.868 25493 6478 1 14 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.467 -0.337 25493 6479 1 14 . 1 1 85 85 ILE C C 85 175.100 175.100 176.101 -1.001 25493 6480 1 14 . 1 1 85 85 ILE CA C 85 61.400 61.400 61.633 -0.233 25493 6481 1 14 . 1 1 85 85 ILE CB C 85 39.600 39.600 39.943 -0.343 25493 6482 1 14 . 1 1 85 85 ILE H H 85 7.490 7.490 7.659 -0.169 25493 6483 1 15 . 1 1 7 7 ALA N N 7 123.700 123.700 122.658 1.042 25493 6484 1 15 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.351 0.069 25493 6485 1 15 . 1 1 7 7 ALA C C 7 176.700 176.700 175.237 1.463 25493 6486 1 15 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.569 0.030 25493 6487 1 15 . 1 1 7 7 ALA CB C 7 19.900 19.900 21.125 -1.225 25493 6488 1 15 . 1 1 7 7 ALA H H 7 8.040 8.040 7.895 0.145 25493 6489 1 15 . 1 1 8 8 SER N N 8 117.100 117.100 115.890 1.210 25493 6490 1 15 . 1 1 8 8 SER HA H 8 4.750 4.750 3.776 0.974 25493 6491 1 15 . 1 1 8 8 SER CA C 8 56.000 56.000 56.951 -0.951 25493 6492 1 15 . 1 1 8 8 SER CB C 8 63.300 63.300 63.279 0.021 25493 6493 1 15 . 1 1 8 8 SER H H 8 8.430 8.430 8.312 0.118 25493 6494 1 15 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.966 -0.026 25493 6495 1 15 . 1 1 9 9 PRO C C 9 177.400 177.400 178.334 -0.934 25493 6496 1 15 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.556 0.244 25493 6497 1 15 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.681 0.319 25493 6498 1 15 . 1 1 10 10 GLN N N 10 116.000 116.000 116.030 -0.030 25493 6499 1 15 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.015 -0.355 25493 6500 1 15 . 1 1 10 10 GLN C C 10 177.500 177.500 178.284 -0.784 25493 6501 1 15 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.620 0.680 25493 6502 1 15 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.768 -0.268 25493 6503 1 15 . 1 1 10 10 GLN H H 10 8.350 8.350 8.479 -0.129 25493 6504 1 15 . 1 1 11 11 GLN N N 11 119.200 119.200 118.732 0.468 25493 6505 1 15 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.116 -0.036 25493 6506 1 15 . 1 1 11 11 GLN C C 11 179.600 179.600 178.254 1.346 25493 6507 1 15 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.239 0.661 25493 6508 1 15 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.600 0.000 25493 6509 1 15 . 1 1 11 11 GLN H H 11 7.680 7.680 7.639 0.041 25493 6510 1 15 . 1 1 12 12 ILE N N 12 121.300 121.300 114.527 6.773 25493 6511 1 15 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.849 -0.319 25493 6512 1 15 . 1 1 12 12 ILE C C 12 177.200 177.200 177.156 0.044 25493 6513 1 15 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.851 1.449 25493 6514 1 15 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.099 0.301 25493 6515 1 15 . 1 1 12 12 ILE H H 12 8.190 8.190 7.977 0.213 25493 6516 1 15 . 1 1 13 13 ARG N N 13 120.200 120.200 122.150 -1.950 25493 6517 1 15 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.941 -0.201 25493 6518 1 15 . 1 1 13 13 ARG C C 13 177.700 177.700 177.974 -0.274 25493 6519 1 15 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.652 0.648 25493 6520 1 15 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.817 -1.617 25493 6521 1 15 . 1 1 13 13 ARG H H 13 8.320 8.320 7.876 0.444 25493 6522 1 15 . 1 1 14 14 ASP N N 14 119.200 119.200 118.079 1.121 25493 6523 1 15 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.531 -0.201 25493 6524 1 15 . 1 1 14 14 ASP C C 14 178.800 178.800 177.021 1.779 25493 6525 1 15 . 1 1 14 14 ASP CA C 14 58.000 58.000 56.016 1.984 25493 6526 1 15 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.235 -0.635 25493 6527 1 15 . 1 1 14 14 ASP H H 14 8.280 8.280 8.096 0.184 25493 6528 1 15 . 1 1 15 15 ARG N N 15 120.400 120.400 118.225 2.175 25493 6529 1 15 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.476 -0.506 25493 6530 1 15 . 1 1 15 15 ARG C C 15 179.300 179.300 176.954 2.346 25493 6531 1 15 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.442 2.758 25493 6532 1 15 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.692 -1.692 25493 6533 1 15 . 1 1 15 15 ARG H H 15 7.980 7.980 7.605 0.375 25493 6534 1 15 . 1 1 16 16 LEU N N 16 120.500 120.500 119.913 0.587 25493 6535 1 15 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.325 -0.355 25493 6536 1 15 . 1 1 16 16 LEU C C 16 178.500 178.500 177.939 0.561 25493 6537 1 15 . 1 1 16 16 LEU CA C 16 58.100 58.100 57.826 0.274 25493 6538 1 15 . 1 1 16 16 LEU CB C 16 41.200 41.200 42.710 -1.510 25493 6539 1 15 . 1 1 16 16 LEU H H 16 8.210 8.210 8.341 -0.131 25493 6540 1 15 . 1 1 17 17 LEU N N 17 116.100 116.100 119.610 -3.510 25493 6541 1 15 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.088 -0.088 25493 6542 1 15 . 1 1 17 17 LEU C C 17 179.400 179.400 179.288 0.112 25493 6543 1 15 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.901 -0.301 25493 6544 1 15 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.187 0.513 25493 6545 1 15 . 1 1 17 17 LEU H H 17 8.310 8.310 8.145 0.165 25493 6546 1 15 . 1 1 18 18 GLN N N 18 114.300 114.300 115.815 -1.515 25493 6547 1 15 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.132 0.108 25493 6548 1 15 . 1 1 18 18 GLN C C 18 176.700 176.700 177.258 -0.558 25493 6549 1 15 . 1 1 18 18 GLN CA C 18 57.000 57.000 57.004 -0.004 25493 6550 1 15 . 1 1 18 18 GLN CB C 18 28.800 28.800 27.865 0.935 25493 6551 1 15 . 1 1 18 18 GLN H H 18 7.460 7.460 8.297 -0.837 25493 6552 1 15 . 1 1 19 19 ALA N N 19 120.800 120.800 119.698 1.102 25493 6553 1 15 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.231 0.259 25493 6554 1 15 . 1 1 19 19 ALA C C 19 176.000 176.000 177.240 -1.240 25493 6555 1 15 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.753 -1.153 25493 6556 1 15 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.345 2.755 25493 6557 1 15 . 1 1 19 19 ALA H H 19 7.770 7.770 7.190 0.580 25493 6558 1 15 . 1 1 20 20 ILE N N 20 113.500 113.500 111.531 1.969 25493 6559 1 15 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.670 0.530 25493 6560 1 15 . 1 1 20 20 ILE C C 20 173.600 173.600 174.296 -0.696 25493 6561 1 15 . 1 1 20 20 ILE CA C 20 59.200 59.200 58.843 0.357 25493 6562 1 15 . 1 1 20 20 ILE CB C 20 41.800 41.800 40.031 1.769 25493 6563 1 15 . 1 1 20 20 ILE H H 20 7.360 7.360 7.217 0.143 25493 6564 1 15 . 1 1 21 21 ASP N N 21 122.500 122.500 115.544 6.956 25493 6565 1 15 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.075 -0.095 25493 6566 1 15 . 1 1 21 21 ASP CA C 21 52.100 52.100 50.896 1.204 25493 6567 1 15 . 1 1 21 21 ASP CB C 21 41.200 41.200 42.234 -1.034 25493 6568 1 15 . 1 1 21 21 ASP H H 21 8.530 8.530 8.313 0.217 25493 6569 1 15 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.383 0.067 25493 6570 1 15 . 1 1 22 22 PRO C C 22 177.500 177.500 176.952 0.548 25493 6571 1 15 . 1 1 22 22 PRO CA C 22 65.200 65.200 63.164 2.036 25493 6572 1 15 . 1 1 22 22 PRO CB C 22 31.900 31.900 31.775 0.125 25493 6573 1 15 . 1 1 23 23 GLN N N 23 115.900 115.900 119.280 -3.380 25493 6574 1 15 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.258 0.162 25493 6575 1 15 . 1 1 23 23 GLN C C 23 174.800 174.800 176.017 -1.217 25493 6576 1 15 . 1 1 23 23 GLN CA C 23 55.400 55.400 58.159 -2.759 25493 6577 1 15 . 1 1 23 23 GLN CB C 23 28.700 28.700 30.022 -1.322 25493 6578 1 15 . 1 1 23 23 GLN H H 23 7.950 7.950 7.763 0.187 25493 6579 1 15 . 1 1 24 24 SER N N 24 107.900 107.900 107.273 0.627 25493 6580 1 15 . 1 1 24 24 SER HA H 24 3.730 3.730 4.645 -0.915 25493 6581 1 15 . 1 1 24 24 SER C C 24 173.200 173.200 173.460 -0.260 25493 6582 1 15 . 1 1 24 24 SER CA C 24 60.300 60.300 57.561 2.739 25493 6583 1 15 . 1 1 24 24 SER CB C 24 60.300 60.300 64.212 -3.912 25493 6584 1 15 . 1 1 24 24 SER H H 24 8.270 8.270 8.382 -0.112 25493 6585 1 15 . 1 1 25 25 ASN N N 25 117.000 117.000 121.744 -4.744 25493 6586 1 15 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.939 -0.409 25493 6587 1 15 . 1 1 25 25 ASN C C 25 175.600 175.600 174.765 0.835 25493 6588 1 15 . 1 1 25 25 ASN CA C 25 52.800 52.800 52.962 -0.162 25493 6589 1 15 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.960 -1.460 25493 6590 1 15 . 1 1 25 25 ASN H H 25 8.500 8.500 7.682 0.818 25493 6591 1 15 . 1 1 26 26 ILE N N 26 122.400 122.400 118.071 4.329 25493 6592 1 15 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.174 -0.354 25493 6593 1 15 . 1 1 26 26 ILE C C 26 176.400 176.400 176.649 -0.249 25493 6594 1 15 . 1 1 26 26 ILE CA C 26 63.600 63.600 61.473 2.127 25493 6595 1 15 . 1 1 26 26 ILE CB C 26 38.600 38.600 39.515 -0.915 25493 6596 1 15 . 1 1 26 26 ILE H H 26 8.890 8.890 8.507 0.383 25493 6597 1 15 . 1 1 27 27 ARG N N 27 127.600 127.600 118.188 9.412 25493 6598 1 15 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.924 0.606 25493 6599 1 15 . 1 1 27 27 ARG C C 27 176.000 176.000 176.214 -0.214 25493 6600 1 15 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.766 -2.266 25493 6601 1 15 . 1 1 27 27 ARG CB C 27 31.400 31.400 29.008 2.392 25493 6602 1 15 . 1 1 27 27 ARG H H 27 9.070 9.070 8.541 0.529 25493 6603 1 15 . 1 1 28 28 ASN N N 28 117.300 117.300 117.950 -0.650 25493 6604 1 15 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.940 -0.010 25493 6605 1 15 . 1 1 28 28 ASN C C 28 174.300 174.300 175.247 -0.947 25493 6606 1 15 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.922 -0.322 25493 6607 1 15 . 1 1 28 28 ASN CB C 28 39.000 39.000 39.014 -0.014 25493 6608 1 15 . 1 1 28 28 ASN H H 28 7.510 7.510 8.378 -0.868 25493 6609 1 15 . 1 1 29 29 MET N N 29 125.700 125.700 122.506 3.194 25493 6610 1 15 . 1 1 29 29 MET HA H 29 4.190 4.190 4.183 0.007 25493 6611 1 15 . 1 1 29 29 MET C C 29 177.300 177.300 177.082 0.218 25493 6612 1 15 . 1 1 29 29 MET CA C 29 57.600 57.600 59.063 -1.463 25493 6613 1 15 . 1 1 29 29 MET CB C 29 31.400 31.400 32.751 -1.351 25493 6614 1 15 . 1 1 29 29 MET H H 29 8.940 8.940 8.713 0.227 25493 6615 1 15 . 1 1 30 30 VAL N N 30 118.600 118.600 115.448 3.152 25493 6616 1 15 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.712 -0.192 25493 6617 1 15 . 1 1 30 30 VAL C C 30 178.800 178.800 176.703 2.097 25493 6618 1 15 . 1 1 30 30 VAL CA C 30 66.900 66.900 65.048 1.852 25493 6619 1 15 . 1 1 30 30 VAL CB C 30 31.500 31.500 30.789 0.711 25493 6620 1 15 . 1 1 30 30 VAL H H 30 7.910 7.910 7.882 0.028 25493 6621 1 15 . 1 1 31 31 ALA N N 31 120.600 120.600 122.015 -1.415 25493 6622 1 15 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.197 -0.067 25493 6623 1 15 . 1 1 31 31 ALA C C 31 180.300 180.300 179.278 1.022 25493 6624 1 15 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.886 -0.586 25493 6625 1 15 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.442 0.458 25493 6626 1 15 . 1 1 31 31 ALA H H 31 7.270 7.270 7.916 -0.646 25493 6627 1 15 . 1 1 32 32 VAL N N 32 117.900 117.900 117.754 0.146 25493 6628 1 15 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.889 -0.509 25493 6629 1 15 . 1 1 32 32 VAL C C 32 177.700 177.700 176.825 0.875 25493 6630 1 15 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.190 3.510 25493 6631 1 15 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.206 -1.306 25493 6632 1 15 . 1 1 32 32 VAL H H 32 7.640 7.640 7.384 0.256 25493 6633 1 15 . 1 1 33 33 LEU N N 33 119.900 119.900 119.852 0.048 25493 6634 1 15 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.288 -0.378 25493 6635 1 15 . 1 1 33 33 LEU C C 33 179.900 179.900 178.659 1.241 25493 6636 1 15 . 1 1 33 33 LEU CA C 33 58.300 58.300 57.459 0.841 25493 6637 1 15 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.631 -0.931 25493 6638 1 15 . 1 1 33 33 LEU H H 33 8.450 8.450 7.829 0.621 25493 6639 1 15 . 1 1 34 34 GLU N N 34 121.200 121.200 118.997 2.203 25493 6640 1 15 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.078 -0.018 25493 6641 1 15 . 1 1 34 34 GLU C C 34 179.800 179.800 178.578 1.222 25493 6642 1 15 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.012 0.788 25493 6643 1 15 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.311 -0.011 25493 6644 1 15 . 1 1 34 34 GLU H H 34 8.080 8.080 7.805 0.275 25493 6645 1 15 . 1 1 35 35 VAL N N 35 122.400 122.400 118.209 4.191 25493 6646 1 15 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.832 -0.232 25493 6647 1 15 . 1 1 35 35 VAL C C 35 177.900 177.900 177.088 0.812 25493 6648 1 15 . 1 1 35 35 VAL CA C 35 67.100 67.100 64.871 2.229 25493 6649 1 15 . 1 1 35 35 VAL CB C 35 30.900 30.900 32.255 -1.355 25493 6650 1 15 . 1 1 35 35 VAL H H 35 8.060 8.060 7.490 0.570 25493 6651 1 15 . 1 1 36 36 ILE N N 36 119.800 119.800 119.493 0.307 25493 6652 1 15 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.785 -0.225 25493 6653 1 15 . 1 1 36 36 ILE C C 36 177.500 177.500 177.996 -0.496 25493 6654 1 15 . 1 1 36 36 ILE CA C 36 64.200 64.200 63.822 0.378 25493 6655 1 15 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.575 -0.275 25493 6656 1 15 . 1 1 36 36 ILE H H 36 8.420 8.420 7.521 0.899 25493 6657 1 15 . 1 1 37 37 SER N N 37 114.700 114.700 113.802 0.898 25493 6658 1 15 . 1 1 37 37 SER HA H 37 4.290 4.290 4.183 0.107 25493 6659 1 15 . 1 1 37 37 SER C C 37 177.300 177.300 175.585 1.715 25493 6660 1 15 . 1 1 37 37 SER CA C 37 61.900 61.900 60.785 1.115 25493 6661 1 15 . 1 1 37 37 SER CB C 37 63.100 63.100 62.824 0.276 25493 6662 1 15 . 1 1 37 37 SER H H 37 8.430 8.430 7.867 0.563 25493 6663 1 15 . 1 1 38 38 SER N N 38 117.200 117.200 116.099 1.101 25493 6664 1 15 . 1 1 38 38 SER HA H 38 4.290 4.290 4.551 -0.261 25493 6665 1 15 . 1 1 38 38 SER C C 38 176.700 176.700 175.953 0.747 25493 6666 1 15 . 1 1 38 38 SER CA C 38 62.500 62.500 60.441 2.059 25493 6667 1 15 . 1 1 38 38 SER CB C 38 63.100 63.100 63.885 -0.785 25493 6668 1 15 . 1 1 38 38 SER H H 38 8.200 8.200 7.641 0.559 25493 6669 1 15 . 1 1 39 39 LEU N N 39 121.600 121.600 122.091 -0.491 25493 6670 1 15 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.171 0.199 25493 6671 1 15 . 1 1 39 39 LEU C C 39 178.700 178.700 178.211 0.489 25493 6672 1 15 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.807 -0.707 25493 6673 1 15 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.824 0.976 25493 6674 1 15 . 1 1 39 39 LEU H H 39 8.150 8.150 8.417 -0.267 25493 6675 1 15 . 1 1 40 40 GLU N N 40 118.600 118.600 115.197 3.403 25493 6676 1 15 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.264 -0.364 25493 6677 1 15 . 1 1 40 40 GLU C C 40 178.100 178.100 177.424 0.676 25493 6678 1 15 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.237 0.463 25493 6679 1 15 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.655 0.645 25493 6680 1 15 . 1 1 40 40 GLU H H 40 8.190 8.190 8.421 -0.231 25493 6681 1 15 . 1 1 41 41 LYS N N 41 116.300 116.300 114.688 1.612 25493 6682 1 15 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.443 -0.213 25493 6683 1 15 . 1 1 41 41 LYS C C 41 175.800 175.800 176.241 -0.441 25493 6684 1 15 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.882 0.718 25493 6685 1 15 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.929 -0.329 25493 6686 1 15 . 1 1 41 41 LYS H H 41 7.440 7.440 7.634 -0.194 25493 6687 1 15 . 1 1 42 42 TYR N N 42 121.400 121.400 125.524 -4.124 25493 6688 1 15 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.757 0.103 25493 6689 1 15 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.951 -0.551 25493 6690 1 15 . 1 1 42 42 TYR CB C 42 39.600 39.600 39.381 0.219 25493 6691 1 15 . 1 1 42 42 TYR H H 42 7.730 7.730 8.091 -0.361 25493 6692 1 15 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.457 0.303 25493 6693 1 15 . 1 1 43 43 PRO C C 43 175.800 175.800 175.906 -0.106 25493 6694 1 15 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.926 -0.426 25493 6695 1 15 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.513 -0.213 25493 6696 1 15 . 1 1 44 44 ILE N N 44 124.000 124.000 125.174 -1.174 25493 6697 1 15 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.204 0.266 25493 6698 1 15 . 1 1 44 44 ILE C C 44 174.300 174.300 176.356 -2.056 25493 6699 1 15 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.877 -1.577 25493 6700 1 15 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.758 2.942 25493 6701 1 15 . 1 1 44 44 ILE H H 44 8.200 8.200 7.844 0.356 25493 6702 1 15 . 1 1 45 45 THR N N 45 112.200 112.200 115.343 -3.143 25493 6703 1 15 . 1 1 45 45 THR HA H 45 4.530 4.530 4.728 -0.198 25493 6704 1 15 . 1 1 45 45 THR C C 45 175.100 175.100 175.384 -0.284 25493 6705 1 15 . 1 1 45 45 THR CA C 45 59.800 59.800 60.395 -0.595 25493 6706 1 15 . 1 1 45 45 THR CB C 45 72.300 72.300 71.134 1.166 25493 6707 1 15 . 1 1 45 45 THR H H 45 7.330 7.330 8.148 -0.818 25493 6708 1 15 . 1 1 46 46 LYS N N 46 121.500 121.500 125.183 -3.683 25493 6709 1 15 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.805 -0.065 25493 6710 1 15 . 1 1 46 46 LYS C C 46 178.200 178.200 178.640 -0.440 25493 6711 1 15 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.397 0.603 25493 6712 1 15 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.749 0.751 25493 6713 1 15 . 1 1 46 46 LYS H H 46 9.090 9.090 9.028 0.062 25493 6714 1 15 . 1 1 47 47 GLU N N 47 118.400 118.400 118.616 -0.216 25493 6715 1 15 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.060 -0.040 25493 6716 1 15 . 1 1 47 47 GLU C C 47 179.000 179.000 177.606 1.394 25493 6717 1 15 . 1 1 47 47 GLU CA C 47 60.800 60.800 58.824 1.976 25493 6718 1 15 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.363 -0.663 25493 6719 1 15 . 1 1 47 47 GLU H H 47 9.010 9.010 8.729 0.281 25493 6720 1 15 . 1 1 48 48 ALA N N 48 122.300 122.300 121.004 1.296 25493 6721 1 15 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.357 -0.087 25493 6722 1 15 . 1 1 48 48 ALA C C 48 181.900 181.900 179.480 2.420 25493 6723 1 15 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.915 0.985 25493 6724 1 15 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.388 -0.588 25493 6725 1 15 . 1 1 48 48 ALA H H 48 7.860 7.860 7.460 0.400 25493 6726 1 15 . 1 1 49 49 LEU N N 49 122.200 122.200 121.551 0.649 25493 6727 1 15 . 1 1 49 49 LEU HA H 49 3.580 3.580 3.998 -0.418 25493 6728 1 15 . 1 1 49 49 LEU C C 49 179.800 179.800 178.346 1.454 25493 6729 1 15 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.861 0.839 25493 6730 1 15 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.245 0.055 25493 6731 1 15 . 1 1 49 49 LEU H H 49 8.260 8.260 8.411 -0.151 25493 6732 1 15 . 1 1 50 50 GLU N N 50 120.400 120.400 117.544 2.856 25493 6733 1 15 . 1 1 50 50 GLU HA H 50 4.040 4.040 3.930 0.110 25493 6734 1 15 . 1 1 50 50 GLU C C 50 178.900 178.900 178.777 0.123 25493 6735 1 15 . 1 1 50 50 GLU CA C 50 59.200 59.200 59.737 -0.537 25493 6736 1 15 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.498 -0.298 25493 6737 1 15 . 1 1 50 50 GLU H H 50 8.120 8.120 8.365 -0.245 25493 6738 1 15 . 1 1 51 51 GLU N N 51 118.500 118.500 119.525 -1.025 25493 6739 1 15 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.153 -0.103 25493 6740 1 15 . 1 1 51 51 GLU C C 51 178.800 178.800 178.215 0.585 25493 6741 1 15 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.861 0.339 25493 6742 1 15 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.576 0.724 25493 6743 1 15 . 1 1 51 51 GLU H H 51 8.200 8.200 8.162 0.038 25493 6744 1 15 . 1 1 52 52 THR N N 52 104.700 104.700 110.636 -5.936 25493 6745 1 15 . 1 1 52 52 THR HA H 52 4.090 4.090 4.303 -0.213 25493 6746 1 15 . 1 1 52 52 THR C C 52 175.400 175.400 174.575 0.825 25493 6747 1 15 . 1 1 52 52 THR CA C 52 63.100 63.100 62.780 0.320 25493 6748 1 15 . 1 1 52 52 THR CB C 52 71.800 71.800 69.832 1.968 25493 6749 1 15 . 1 1 52 52 THR H H 52 7.840 7.840 7.998 -0.158 25493 6750 1 15 . 1 1 53 53 ARG N N 53 114.400 114.400 118.235 -3.835 25493 6751 1 15 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.959 0.151 25493 6752 1 15 . 1 1 53 53 ARG C C 53 177.200 177.200 176.454 0.746 25493 6753 1 15 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.640 0.660 25493 6754 1 15 . 1 1 53 53 ARG CB C 53 27.500 27.500 27.141 0.359 25493 6755 1 15 . 1 1 53 53 ARG H H 53 7.680 7.680 7.384 0.296 25493 6756 1 15 . 1 1 54 54 LEU N N 54 117.200 117.200 120.429 -3.229 25493 6757 1 15 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.119 -0.309 25493 6758 1 15 . 1 1 54 54 LEU C C 54 178.200 178.200 178.028 0.172 25493 6759 1 15 . 1 1 54 54 LEU CA C 54 58.700 58.700 58.078 0.622 25493 6760 1 15 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.592 1.808 25493 6761 1 15 . 1 1 54 54 LEU H H 54 7.460 7.460 7.466 -0.006 25493 6762 1 15 . 1 1 55 55 GLY N N 55 105.900 105.900 105.551 0.349 25493 6763 1 15 . 1 1 55 55 GLY C C 55 175.500 175.500 175.488 0.012 25493 6764 1 15 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.300 -0.100 25493 6765 1 15 . 1 1 55 55 GLY H H 55 8.650 8.650 8.035 0.615 25493 6766 1 15 . 1 1 56 56 LYS N N 56 123.300 123.300 120.962 2.338 25493 6767 1 15 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.005 0.105 25493 6768 1 15 . 1 1 56 56 LYS C C 56 178.300 178.300 177.970 0.330 25493 6769 1 15 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.310 0.890 25493 6770 1 15 . 1 1 56 56 LYS CB C 56 32.500 32.500 31.653 0.847 25493 6771 1 15 . 1 1 56 56 LYS H H 56 7.210 7.210 7.938 -0.728 25493 6772 1 15 . 1 1 57 57 LEU N N 57 117.700 117.700 119.288 -1.588 25493 6773 1 15 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.130 0.050 25493 6774 1 15 . 1 1 57 57 LEU C C 57 179.600 179.600 178.464 1.136 25493 6775 1 15 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.734 -0.034 25493 6776 1 15 . 1 1 57 57 LEU CB C 57 43.400 43.400 42.319 1.081 25493 6777 1 15 . 1 1 57 57 LEU H H 57 7.900 7.900 7.762 0.138 25493 6778 1 15 . 1 1 58 58 ILE N N 58 116.600 116.600 119.368 -2.768 25493 6779 1 15 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.707 -0.027 25493 6780 1 15 . 1 1 58 58 ILE C C 58 177.900 177.900 177.617 0.283 25493 6781 1 15 . 1 1 58 58 ILE CA C 58 63.100 63.100 64.104 -1.004 25493 6782 1 15 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.809 -1.010 25493 6783 1 15 . 1 1 58 58 ILE H H 58 8.640 8.640 7.813 0.827 25493 6784 1 15 . 1 1 59 59 ASN N N 59 119.600 119.600 117.148 2.452 25493 6785 1 15 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.508 -0.138 25493 6786 1 15 . 1 1 59 59 ASN C C 59 176.700 176.700 175.216 1.484 25493 6787 1 15 . 1 1 59 59 ASN CA C 59 57.000 57.000 55.665 1.335 25493 6788 1 15 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.334 0.166 25493 6789 1 15 . 1 1 59 59 ASN H H 59 8.120 8.120 8.372 -0.252 25493 6790 1 15 . 1 1 60 60 ASP N N 60 119.600 119.600 118.546 1.054 25493 6791 1 15 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.770 -0.390 25493 6792 1 15 . 1 1 60 60 ASP C C 60 179.400 179.400 177.694 1.706 25493 6793 1 15 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.666 0.934 25493 6794 1 15 . 1 1 60 60 ASP CB C 60 39.600 39.600 42.537 -2.937 25493 6795 1 15 . 1 1 60 60 ASP H H 60 8.490 8.490 7.498 0.992 25493 6796 1 15 . 1 1 61 61 VAL N N 61 118.700 118.700 122.919 -4.219 25493 6797 1 15 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.794 -0.044 25493 6798 1 15 . 1 1 61 61 VAL C C 61 179.000 179.000 176.722 2.278 25493 6799 1 15 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.255 0.545 25493 6800 1 15 . 1 1 61 61 VAL CB C 61 32.500 32.500 32.213 0.287 25493 6801 1 15 . 1 1 61 61 VAL H H 61 7.930 7.930 8.291 -0.361 25493 6802 1 15 . 1 1 62 62 ARG N N 62 120.900 120.900 116.609 4.291 25493 6803 1 15 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.132 -0.482 25493 6804 1 15 . 1 1 62 62 ARG C C 62 177.100 177.100 176.920 0.180 25493 6805 1 15 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.199 1.001 25493 6806 1 15 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.914 -0.114 25493 6807 1 15 . 1 1 62 62 ARG H H 62 8.620 8.620 7.779 0.841 25493 6808 1 15 . 1 1 63 63 LYS N N 63 115.700 115.700 118.608 -2.908 25493 6809 1 15 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.380 -0.450 25493 6810 1 15 . 1 1 63 63 LYS C C 63 177.600 177.600 177.973 -0.373 25493 6811 1 15 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.361 1.839 25493 6812 1 15 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.381 0.619 25493 6813 1 15 . 1 1 63 63 LYS H H 63 7.940 7.940 7.751 0.189 25493 6814 1 15 . 1 1 64 64 LYS N N 64 115.300 115.300 119.619 -4.319 25493 6815 1 15 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.226 0.204 25493 6816 1 15 . 1 1 64 64 LYS C C 64 176.900 176.900 176.974 -0.074 25493 6817 1 15 . 1 1 64 64 LYS CA C 64 55.400 55.400 58.172 -2.772 25493 6818 1 15 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.446 0.654 25493 6819 1 15 . 1 1 64 64 LYS H H 64 7.130 7.130 7.864 -0.734 25493 6820 1 15 . 1 1 65 65 THR N N 65 113.500 113.500 111.923 1.577 25493 6821 1 15 . 1 1 65 65 THR HA H 65 4.520 4.520 4.572 -0.052 25493 6822 1 15 . 1 1 65 65 THR C C 65 173.200 173.200 172.820 0.380 25493 6823 1 15 . 1 1 65 65 THR CA C 65 62.000 62.000 61.103 0.897 25493 6824 1 15 . 1 1 65 65 THR CB C 65 69.600 69.600 70.384 -0.784 25493 6825 1 15 . 1 1 65 65 THR H H 65 7.250 7.250 7.695 -0.445 25493 6826 1 15 . 1 1 66 66 LYS N N 66 125.700 125.700 121.270 4.430 25493 6827 1 15 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.533 -0.023 25493 6828 1 15 . 1 1 66 66 LYS C C 66 175.900 175.900 175.449 0.451 25493 6829 1 15 . 1 1 66 66 LYS CA C 66 55.400 55.400 55.209 0.191 25493 6830 1 15 . 1 1 66 66 LYS CB C 66 32.000 32.000 32.235 -0.235 25493 6831 1 15 . 1 1 66 66 LYS H H 66 8.500 8.500 8.394 0.106 25493 6832 1 15 . 1 1 67 67 ASN N N 67 122.100 122.100 119.817 2.283 25493 6833 1 15 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.475 0.215 25493 6834 1 15 . 1 1 67 67 ASN C C 67 174.400 174.400 176.073 -1.673 25493 6835 1 15 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.413 -0.213 25493 6836 1 15 . 1 1 67 67 ASN CB C 67 39.000 39.000 38.603 0.397 25493 6837 1 15 . 1 1 67 67 ASN H H 67 8.570 8.570 8.290 0.280 25493 6838 1 15 . 1 1 68 68 GLU N N 68 128.400 128.400 123.947 4.453 25493 6839 1 15 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.988 0.002 25493 6840 1 15 . 1 1 68 68 GLU C C 68 178.500 178.500 177.339 1.161 25493 6841 1 15 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.553 -0.253 25493 6842 1 15 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.610 0.190 25493 6843 1 15 . 1 1 68 68 GLU H H 68 8.850 8.850 8.804 0.046 25493 6844 1 15 . 1 1 69 69 GLU N N 69 120.300 120.300 117.956 2.344 25493 6845 1 15 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.326 -0.296 25493 6846 1 15 . 1 1 69 69 GLU C C 69 179.000 179.000 178.059 0.941 25493 6847 1 15 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.910 1.290 25493 6848 1 15 . 1 1 69 69 GLU CB C 69 29.200 29.200 29.780 -0.581 25493 6849 1 15 . 1 1 69 69 GLU H H 69 8.190 8.190 8.376 -0.186 25493 6850 1 15 . 1 1 70 70 LEU N N 70 121.300 121.300 122.016 -0.716 25493 6851 1 15 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.183 -0.313 25493 6852 1 15 . 1 1 70 70 LEU C C 70 178.500 178.500 178.313 0.187 25493 6853 1 15 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.138 1.062 25493 6854 1 15 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.762 -1.062 25493 6855 1 15 . 1 1 70 70 LEU H H 70 8.120 8.120 7.667 0.453 25493 6856 1 15 . 1 1 71 71 ALA N N 71 121.000 121.000 120.634 0.366 25493 6857 1 15 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.867 -0.127 25493 6858 1 15 . 1 1 71 71 ALA C C 71 180.100 180.100 178.577 1.523 25493 6859 1 15 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.699 0.801 25493 6860 1 15 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.438 -0.738 25493 6861 1 15 . 1 1 71 71 ALA H H 71 8.330 8.330 8.757 -0.427 25493 6862 1 15 . 1 1 72 72 LYS N N 72 118.200 118.200 115.338 2.862 25493 6863 1 15 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.297 -0.337 25493 6864 1 15 . 1 1 72 72 LYS C C 72 179.800 179.800 178.797 1.003 25493 6865 1 15 . 1 1 72 72 LYS CA C 72 59.800 59.800 57.965 1.835 25493 6866 1 15 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.308 0.192 25493 6867 1 15 . 1 1 72 72 LYS H H 72 8.150 8.150 7.499 0.651 25493 6868 1 15 . 1 1 73 73 ARG N N 73 120.600 120.600 120.571 0.029 25493 6869 1 15 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.142 -0.152 25493 6870 1 15 . 1 1 73 73 ARG C C 73 180.100 180.100 178.351 1.749 25493 6871 1 15 . 1 1 73 73 ARG CA C 73 59.300 59.300 59.042 0.258 25493 6872 1 15 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.316 1.684 25493 6873 1 15 . 1 1 73 73 ARG H H 73 8.140 8.140 8.567 -0.427 25493 6874 1 15 . 1 1 74 74 ALA N N 74 121.700 121.700 122.274 -0.574 25493 6875 1 15 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.113 -0.333 25493 6876 1 15 . 1 1 74 74 ALA C C 74 178.100 178.100 179.396 -1.296 25493 6877 1 15 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.572 -0.672 25493 6878 1 15 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.255 -1.055 25493 6879 1 15 . 1 1 74 74 ALA H H 74 8.970 8.970 8.273 0.697 25493 6880 1 15 . 1 1 75 75 LYS N N 75 117.900 117.900 114.942 2.958 25493 6881 1 15 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.142 -0.402 25493 6882 1 15 . 1 1 75 75 LYS C C 75 178.300 178.300 177.668 0.632 25493 6883 1 15 . 1 1 75 75 LYS CA C 75 60.300 60.300 58.455 1.845 25493 6884 1 15 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.234 0.266 25493 6885 1 15 . 1 1 75 75 LYS H H 75 8.200 8.200 7.889 0.311 25493 6886 1 15 . 1 1 76 76 LYS N N 76 118.800 118.800 119.601 -0.801 25493 6887 1 15 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.287 -0.397 25493 6888 1 15 . 1 1 76 76 LYS C C 76 179.200 179.200 178.059 1.141 25493 6889 1 15 . 1 1 76 76 LYS CA C 76 59.800 59.800 58.060 1.740 25493 6890 1 15 . 1 1 76 76 LYS CB C 76 32.400 32.400 33.226 -0.826 25493 6891 1 15 . 1 1 76 76 LYS H H 76 7.630 7.630 7.390 0.240 25493 6892 1 15 . 1 1 77 77 LEU N N 77 121.400 121.400 120.792 0.608 25493 6893 1 15 . 1 1 77 77 LEU HA H 77 3.630 3.630 4.096 -0.466 25493 6894 1 15 . 1 1 77 77 LEU C C 77 178.200 178.200 178.447 -0.247 25493 6895 1 15 . 1 1 77 77 LEU CA C 77 57.600 57.600 56.087 1.513 25493 6896 1 15 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.495 -0.695 25493 6897 1 15 . 1 1 77 77 LEU H H 77 7.430 7.430 8.247 -0.817 25493 6898 1 15 . 1 1 78 78 LEU N N 78 117.600 117.600 120.072 -2.472 25493 6899 1 15 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.859 -0.099 25493 6900 1 15 . 1 1 78 78 LEU C C 78 180.300 180.300 178.681 1.619 25493 6901 1 15 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.792 0.308 25493 6902 1 15 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.803 0.397 25493 6903 1 15 . 1 1 78 78 LEU H H 78 7.960 7.960 7.780 0.180 25493 6904 1 15 . 1 1 79 79 ARG N N 79 119.800 119.800 117.090 2.710 25493 6905 1 15 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.869 0.241 25493 6906 1 15 . 1 1 79 79 ARG C C 79 179.500 179.500 178.378 1.122 25493 6907 1 15 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.826 0.374 25493 6908 1 15 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.435 0.265 25493 6909 1 15 . 1 1 79 79 ARG H H 79 8.110 8.110 8.335 -0.225 25493 6910 1 15 . 1 1 80 80 SER N N 80 117.800 117.800 114.499 3.301 25493 6911 1 15 . 1 1 80 80 SER HA H 80 4.310 4.310 4.063 0.247 25493 6912 1 15 . 1 1 80 80 SER C C 80 177.000 177.000 175.072 1.928 25493 6913 1 15 . 1 1 80 80 SER CA C 80 61.500 61.500 60.159 1.341 25493 6914 1 15 . 1 1 80 80 SER CB C 80 62.500 62.500 62.774 -0.274 25493 6915 1 15 . 1 1 80 80 SER H H 80 7.870 7.870 7.155 0.715 25493 6916 1 15 . 1 1 81 81 TRP N N 81 123.300 123.300 116.479 6.821 25493 6917 1 15 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.023 -0.213 25493 6918 1 15 . 1 1 81 81 TRP C C 81 178.200 178.200 176.873 1.327 25493 6919 1 15 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.408 1.092 25493 6920 1 15 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.229 0.971 25493 6921 1 15 . 1 1 81 81 TRP H H 81 8.010 8.010 6.973 1.037 25493 6922 1 15 . 1 1 82 82 GLN N N 82 120.400 120.400 122.382 -1.982 25493 6923 1 15 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.028 0.052 25493 6924 1 15 . 1 1 82 82 GLN C C 82 177.600 177.600 177.094 0.506 25493 6925 1 15 . 1 1 82 82 GLN CA C 82 59.200 59.200 58.813 0.387 25493 6926 1 15 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.145 0.055 25493 6927 1 15 . 1 1 82 82 GLN H H 82 8.080 8.080 7.598 0.482 25493 6928 1 15 . 1 1 83 83 LYS N N 83 115.600 115.600 117.624 -2.024 25493 6929 1 15 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.155 0.065 25493 6930 1 15 . 1 1 83 83 LYS C C 83 177.400 177.400 177.545 -0.145 25493 6931 1 15 . 1 1 83 83 LYS CA C 83 57.600 57.600 58.290 -0.690 25493 6932 1 15 . 1 1 83 83 LYS CB C 83 32.500 32.500 32.177 0.323 25493 6933 1 15 . 1 1 83 83 LYS H H 83 7.770 7.770 8.074 -0.304 25493 6934 1 15 . 1 1 84 84 LEU N N 84 117.900 117.900 117.592 0.308 25493 6935 1 15 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.482 -0.202 25493 6936 1 15 . 1 1 84 84 LEU C C 84 177.500 177.500 177.509 -0.009 25493 6937 1 15 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.192 0.808 25493 6938 1 15 . 1 1 84 84 LEU CB C 84 42.900 42.900 43.717 -0.817 25493 6939 1 15 . 1 1 84 84 LEU H H 84 7.670 7.670 7.853 -0.183 25493 6940 1 15 . 1 1 85 85 ILE N N 85 115.400 115.400 116.037 -0.637 25493 6941 1 15 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.502 -0.372 25493 6942 1 15 . 1 1 85 85 ILE C C 85 175.100 175.100 175.459 -0.359 25493 6943 1 15 . 1 1 85 85 ILE CA C 85 61.400 61.400 59.969 1.431 25493 6944 1 15 . 1 1 85 85 ILE CB C 85 39.600 39.600 39.617 -0.017 25493 6945 1 15 . 1 1 85 85 ILE H H 85 7.490 7.490 8.168 -0.678 25493 6946 1 16 . 1 1 7 7 ALA N N 7 123.700 123.700 122.607 1.093 25493 6947 1 16 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.407 0.013 25493 6948 1 16 . 1 1 7 7 ALA C C 7 176.700 176.700 175.391 1.309 25493 6949 1 16 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.865 -0.265 25493 6950 1 16 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.845 -0.945 25493 6951 1 16 . 1 1 7 7 ALA H H 7 8.040 8.040 7.950 0.090 25493 6952 1 16 . 1 1 8 8 SER N N 8 117.100 117.100 116.318 0.782 25493 6953 1 16 . 1 1 8 8 SER HA H 8 4.750 4.750 4.227 0.523 25493 6954 1 16 . 1 1 8 8 SER CA C 8 56.000 56.000 56.717 -0.717 25493 6955 1 16 . 1 1 8 8 SER CB C 8 63.300 63.300 63.537 -0.237 25493 6956 1 16 . 1 1 8 8 SER H H 8 8.430 8.430 8.288 0.142 25493 6957 1 16 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.911 0.029 25493 6958 1 16 . 1 1 9 9 PRO C C 9 177.400 177.400 178.329 -0.929 25493 6959 1 16 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.477 0.323 25493 6960 1 16 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.708 0.292 25493 6961 1 16 . 1 1 10 10 GLN N N 10 116.000 116.000 116.025 -0.025 25493 6962 1 16 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.017 -0.357 25493 6963 1 16 . 1 1 10 10 GLN C C 10 177.500 177.500 178.398 -0.898 25493 6964 1 16 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.366 0.934 25493 6965 1 16 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.822 -0.322 25493 6966 1 16 . 1 1 10 10 GLN H H 10 8.350 8.350 8.425 -0.075 25493 6967 1 16 . 1 1 11 11 GLN N N 11 119.200 119.200 119.308 -0.108 25493 6968 1 16 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.093 -0.013 25493 6969 1 16 . 1 1 11 11 GLN C C 11 179.600 179.600 178.290 1.310 25493 6970 1 16 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.609 0.291 25493 6971 1 16 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.417 0.183 25493 6972 1 16 . 1 1 11 11 GLN H H 11 7.680 7.680 7.716 -0.036 25493 6973 1 16 . 1 1 12 12 ILE N N 12 121.300 121.300 115.233 6.067 25493 6974 1 16 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.817 -0.287 25493 6975 1 16 . 1 1 12 12 ILE C C 12 177.200 177.200 177.181 0.019 25493 6976 1 16 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.991 1.309 25493 6977 1 16 . 1 1 12 12 ILE CB C 12 37.400 37.400 36.989 0.411 25493 6978 1 16 . 1 1 12 12 ILE H H 12 8.190 8.190 7.999 0.191 25493 6979 1 16 . 1 1 13 13 ARG N N 13 120.200 120.200 122.164 -1.964 25493 6980 1 16 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.904 -0.164 25493 6981 1 16 . 1 1 13 13 ARG C C 13 177.700 177.700 177.894 -0.194 25493 6982 1 16 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.974 0.326 25493 6983 1 16 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.967 -1.767 25493 6984 1 16 . 1 1 13 13 ARG H H 13 8.320 8.320 7.981 0.339 25493 6985 1 16 . 1 1 14 14 ASP N N 14 119.200 119.200 117.634 1.566 25493 6986 1 16 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.576 -0.246 25493 6987 1 16 . 1 1 14 14 ASP C C 14 178.800 178.800 176.906 1.894 25493 6988 1 16 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.781 2.219 25493 6989 1 16 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.131 -0.531 25493 6990 1 16 . 1 1 14 14 ASP H H 14 8.280 8.280 8.008 0.272 25493 6991 1 16 . 1 1 15 15 ARG N N 15 120.400 120.400 118.772 1.628 25493 6992 1 16 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.396 -0.426 25493 6993 1 16 . 1 1 15 15 ARG C C 15 179.300 179.300 177.874 1.426 25493 6994 1 16 . 1 1 15 15 ARG CA C 15 59.200 59.200 57.340 1.860 25493 6995 1 16 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.738 -1.738 25493 6996 1 16 . 1 1 15 15 ARG H H 15 7.980 7.980 7.489 0.491 25493 6997 1 16 . 1 1 16 16 LEU N N 16 120.500 120.500 121.124 -0.624 25493 6998 1 16 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.176 -0.206 25493 6999 1 16 . 1 1 16 16 LEU C C 16 178.500 178.500 178.225 0.275 25493 7000 1 16 . 1 1 16 16 LEU CA C 16 58.100 58.100 58.324 -0.224 25493 7001 1 16 . 1 1 16 16 LEU CB C 16 41.200 41.200 41.929 -0.729 25493 7002 1 16 . 1 1 16 16 LEU H H 16 8.210 8.210 8.436 -0.226 25493 7003 1 16 . 1 1 17 17 LEU N N 17 116.100 116.100 118.550 -2.450 25493 7004 1 16 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.072 -0.072 25493 7005 1 16 . 1 1 17 17 LEU C C 17 179.400 179.400 178.941 0.459 25493 7006 1 16 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.608 -0.008 25493 7007 1 16 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.478 0.222 25493 7008 1 16 . 1 1 17 17 LEU H H 17 8.310 8.310 8.421 -0.111 25493 7009 1 16 . 1 1 18 18 GLN N N 18 114.300 114.300 116.077 -1.777 25493 7010 1 16 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.144 0.096 25493 7011 1 16 . 1 1 18 18 GLN C C 18 176.700 176.700 176.825 -0.125 25493 7012 1 16 . 1 1 18 18 GLN CA C 18 57.000 57.000 56.917 0.083 25493 7013 1 16 . 1 1 18 18 GLN CB C 18 28.800 28.800 28.099 0.700 25493 7014 1 16 . 1 1 18 18 GLN H H 18 7.460 7.460 7.738 -0.278 25493 7015 1 16 . 1 1 19 19 ALA N N 19 120.800 120.800 119.943 0.857 25493 7016 1 16 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.265 0.225 25493 7017 1 16 . 1 1 19 19 ALA C C 19 176.000 176.000 177.561 -1.561 25493 7018 1 16 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.505 -0.905 25493 7019 1 16 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.466 2.634 25493 7020 1 16 . 1 1 19 19 ALA H H 19 7.770 7.770 7.688 0.082 25493 7021 1 16 . 1 1 20 20 ILE N N 20 113.500 113.500 112.529 0.971 25493 7022 1 16 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.524 0.676 25493 7023 1 16 . 1 1 20 20 ILE C C 20 173.600 173.600 174.026 -0.426 25493 7024 1 16 . 1 1 20 20 ILE CA C 20 59.200 59.200 59.262 -0.062 25493 7025 1 16 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.852 1.948 25493 7026 1 16 . 1 1 20 20 ILE H H 20 7.360 7.360 7.277 0.083 25493 7027 1 16 . 1 1 21 21 ASP N N 21 122.500 122.500 119.448 3.052 25493 7028 1 16 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.007 -0.027 25493 7029 1 16 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.866 0.234 25493 7030 1 16 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.470 -0.270 25493 7031 1 16 . 1 1 21 21 ASP H H 21 8.530 8.530 8.308 0.222 25493 7032 1 16 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.550 -0.100 25493 7033 1 16 . 1 1 22 22 PRO C C 22 177.500 177.500 176.244 1.256 25493 7034 1 16 . 1 1 22 22 PRO CA C 22 65.200 65.200 63.815 1.385 25493 7035 1 16 . 1 1 22 22 PRO CB C 22 31.900 31.900 31.744 0.156 25493 7036 1 16 . 1 1 23 23 GLN N N 23 115.900 115.900 119.490 -3.590 25493 7037 1 16 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.263 0.157 25493 7038 1 16 . 1 1 23 23 GLN C C 23 174.800 174.800 175.649 -0.849 25493 7039 1 16 . 1 1 23 23 GLN CA C 23 55.400 55.400 57.142 -1.742 25493 7040 1 16 . 1 1 23 23 GLN CB C 23 28.700 28.700 30.987 -2.287 25493 7041 1 16 . 1 1 23 23 GLN H H 23 7.950 7.950 7.941 0.009 25493 7042 1 16 . 1 1 24 24 SER N N 24 107.900 107.900 107.057 0.843 25493 7043 1 16 . 1 1 24 24 SER HA H 24 3.730 3.730 4.557 -0.827 25493 7044 1 16 . 1 1 24 24 SER C C 24 173.200 173.200 173.945 -0.745 25493 7045 1 16 . 1 1 24 24 SER CA C 24 60.300 60.300 57.605 2.695 25493 7046 1 16 . 1 1 24 24 SER CB C 24 60.300 60.300 64.147 -3.847 25493 7047 1 16 . 1 1 24 24 SER H H 24 8.270 8.270 8.146 0.124 25493 7048 1 16 . 1 1 25 25 ASN N N 25 117.000 117.000 122.157 -5.157 25493 7049 1 16 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.740 -0.210 25493 7050 1 16 . 1 1 25 25 ASN C C 25 175.600 175.600 174.682 0.918 25493 7051 1 16 . 1 1 25 25 ASN CA C 25 52.800 52.800 54.038 -1.238 25493 7052 1 16 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.432 -0.932 25493 7053 1 16 . 1 1 25 25 ASN H H 25 8.500 8.500 7.742 0.758 25493 7054 1 16 . 1 1 26 26 ILE N N 26 122.400 122.400 118.145 4.255 25493 7055 1 16 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.166 -0.346 25493 7056 1 16 . 1 1 26 26 ILE C C 26 176.400 176.400 176.945 -0.545 25493 7057 1 16 . 1 1 26 26 ILE CA C 26 63.600 63.600 60.991 2.609 25493 7058 1 16 . 1 1 26 26 ILE CB C 26 38.600 38.600 38.893 -0.293 25493 7059 1 16 . 1 1 26 26 ILE H H 26 8.890 8.890 8.577 0.313 25493 7060 1 16 . 1 1 27 27 ARG N N 27 127.600 127.600 118.075 9.525 25493 7061 1 16 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.872 0.658 25493 7062 1 16 . 1 1 27 27 ARG C C 27 176.000 176.000 176.424 -0.424 25493 7063 1 16 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.957 -2.457 25493 7064 1 16 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.953 2.446 25493 7065 1 16 . 1 1 27 27 ARG H H 27 9.070 9.070 8.443 0.627 25493 7066 1 16 . 1 1 28 28 ASN N N 28 117.300 117.300 118.621 -1.321 25493 7067 1 16 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.960 -0.030 25493 7068 1 16 . 1 1 28 28 ASN C C 28 174.300 174.300 175.107 -0.807 25493 7069 1 16 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.850 -0.250 25493 7070 1 16 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.520 0.480 25493 7071 1 16 . 1 1 28 28 ASN H H 28 7.510 7.510 8.357 -0.847 25493 7072 1 16 . 1 1 29 29 MET N N 29 125.700 125.700 124.054 1.646 25493 7073 1 16 . 1 1 29 29 MET HA H 29 4.190 4.190 4.179 0.011 25493 7074 1 16 . 1 1 29 29 MET C C 29 177.300 177.300 176.731 0.569 25493 7075 1 16 . 1 1 29 29 MET CA C 29 57.600 57.600 59.049 -1.449 25493 7076 1 16 . 1 1 29 29 MET CB C 29 31.400 31.400 32.751 -1.351 25493 7077 1 16 . 1 1 29 29 MET H H 29 8.940 8.940 8.295 0.645 25493 7078 1 16 . 1 1 30 30 VAL N N 30 118.600 118.600 117.957 0.643 25493 7079 1 16 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.732 -0.212 25493 7080 1 16 . 1 1 30 30 VAL C C 30 178.800 178.800 176.895 1.905 25493 7081 1 16 . 1 1 30 30 VAL CA C 30 66.900 66.900 64.848 2.052 25493 7082 1 16 . 1 1 30 30 VAL CB C 30 31.500 31.500 31.594 -0.094 25493 7083 1 16 . 1 1 30 30 VAL H H 30 7.910 7.910 7.789 0.121 25493 7084 1 16 . 1 1 31 31 ALA N N 31 120.600 120.600 121.905 -1.305 25493 7085 1 16 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.219 -0.089 25493 7086 1 16 . 1 1 31 31 ALA C C 31 180.300 180.300 179.326 0.974 25493 7087 1 16 . 1 1 31 31 ALA CA C 31 54.300 54.300 55.211 -0.911 25493 7088 1 16 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.344 0.556 25493 7089 1 16 . 1 1 31 31 ALA H H 31 7.270 7.270 7.930 -0.660 25493 7090 1 16 . 1 1 32 32 VAL N N 32 117.900 117.900 117.577 0.323 25493 7091 1 16 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.938 -0.558 25493 7092 1 16 . 1 1 32 32 VAL C C 32 177.700 177.700 176.605 1.095 25493 7093 1 16 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.204 3.496 25493 7094 1 16 . 1 1 32 32 VAL CB C 32 30.900 30.900 31.632 -0.732 25493 7095 1 16 . 1 1 32 32 VAL H H 32 7.640 7.640 7.504 0.136 25493 7096 1 16 . 1 1 33 33 LEU N N 33 119.900 119.900 119.892 0.008 25493 7097 1 16 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.374 -0.464 25493 7098 1 16 . 1 1 33 33 LEU C C 33 179.900 179.900 178.628 1.272 25493 7099 1 16 . 1 1 33 33 LEU CA C 33 58.300 58.300 56.972 1.328 25493 7100 1 16 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.590 -0.890 25493 7101 1 16 . 1 1 33 33 LEU H H 33 8.450 8.450 8.170 0.280 25493 7102 1 16 . 1 1 34 34 GLU N N 34 121.200 121.200 120.738 0.462 25493 7103 1 16 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.052 0.008 25493 7104 1 16 . 1 1 34 34 GLU C C 34 179.800 179.800 179.351 0.449 25493 7105 1 16 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.836 -0.036 25493 7106 1 16 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.255 0.045 25493 7107 1 16 . 1 1 34 34 GLU H H 34 8.080 8.080 7.923 0.157 25493 7108 1 16 . 1 1 35 35 VAL N N 35 122.400 122.400 120.438 1.962 25493 7109 1 16 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.811 -0.211 25493 7110 1 16 . 1 1 35 35 VAL C C 35 177.900 177.900 177.047 0.853 25493 7111 1 16 . 1 1 35 35 VAL CA C 35 67.100 67.100 66.086 1.014 25493 7112 1 16 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.756 -0.856 25493 7113 1 16 . 1 1 35 35 VAL H H 35 8.060 8.060 7.541 0.519 25493 7114 1 16 . 1 1 36 36 ILE N N 36 119.800 119.800 119.112 0.688 25493 7115 1 16 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.823 -0.263 25493 7116 1 16 . 1 1 36 36 ILE C C 36 177.500 177.500 178.107 -0.607 25493 7117 1 16 . 1 1 36 36 ILE CA C 36 64.200 64.200 63.979 0.221 25493 7118 1 16 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.703 -0.404 25493 7119 1 16 . 1 1 36 36 ILE H H 36 8.420 8.420 7.205 1.215 25493 7120 1 16 . 1 1 37 37 SER N N 37 114.700 114.700 114.015 0.685 25493 7121 1 16 . 1 1 37 37 SER HA H 37 4.290 4.290 4.170 0.120 25493 7122 1 16 . 1 1 37 37 SER C C 37 177.300 177.300 175.195 2.105 25493 7123 1 16 . 1 1 37 37 SER CA C 37 61.900 61.900 60.531 1.369 25493 7124 1 16 . 1 1 37 37 SER CB C 37 63.100 63.100 62.712 0.388 25493 7125 1 16 . 1 1 37 37 SER H H 37 8.430 8.430 8.318 0.112 25493 7126 1 16 . 1 1 38 38 SER N N 38 117.200 117.200 115.535 1.665 25493 7127 1 16 . 1 1 38 38 SER HA H 38 4.290 4.290 4.578 -0.288 25493 7128 1 16 . 1 1 38 38 SER C C 38 176.700 176.700 176.281 0.419 25493 7129 1 16 . 1 1 38 38 SER CA C 38 62.500 62.500 60.724 1.776 25493 7130 1 16 . 1 1 38 38 SER CB C 38 63.100 63.100 64.558 -1.458 25493 7131 1 16 . 1 1 38 38 SER H H 38 8.200 8.200 7.538 0.662 25493 7132 1 16 . 1 1 39 39 LEU N N 39 121.600 121.600 122.940 -1.340 25493 7133 1 16 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.391 -0.021 25493 7134 1 16 . 1 1 39 39 LEU C C 39 178.700 178.700 178.461 0.239 25493 7135 1 16 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.007 0.093 25493 7136 1 16 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.808 0.992 25493 7137 1 16 . 1 1 39 39 LEU H H 39 8.150 8.150 8.586 -0.436 25493 7138 1 16 . 1 1 40 40 GLU N N 40 118.600 118.600 118.188 0.412 25493 7139 1 16 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.228 -0.328 25493 7140 1 16 . 1 1 40 40 GLU C C 40 178.100 178.100 176.762 1.338 25493 7141 1 16 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.242 0.458 25493 7142 1 16 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.028 1.272 25493 7143 1 16 . 1 1 40 40 GLU H H 40 8.190 8.190 8.247 -0.057 25493 7144 1 16 . 1 1 41 41 LYS N N 41 116.300 116.300 116.242 0.058 25493 7145 1 16 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.458 -0.228 25493 7146 1 16 . 1 1 41 41 LYS C C 41 175.800 175.800 175.715 0.085 25493 7147 1 16 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.503 1.097 25493 7148 1 16 . 1 1 41 41 LYS CB C 41 33.600 33.600 32.396 1.204 25493 7149 1 16 . 1 1 41 41 LYS H H 41 7.440 7.440 7.558 -0.118 25493 7150 1 16 . 1 1 42 42 TYR N N 42 121.400 121.400 123.682 -2.282 25493 7151 1 16 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.827 0.033 25493 7152 1 16 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.351 0.049 25493 7153 1 16 . 1 1 42 42 TYR CB C 42 39.600 39.600 40.608 -1.008 25493 7154 1 16 . 1 1 42 42 TYR H H 42 7.730 7.730 7.945 -0.215 25493 7155 1 16 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.640 0.120 25493 7156 1 16 . 1 1 43 43 PRO C C 43 175.800 175.800 175.896 -0.096 25493 7157 1 16 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.724 -0.224 25493 7158 1 16 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.550 -0.250 25493 7159 1 16 . 1 1 44 44 ILE N N 44 124.000 124.000 124.911 -0.911 25493 7160 1 16 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.089 0.381 25493 7161 1 16 . 1 1 44 44 ILE C C 44 174.300 174.300 176.620 -2.320 25493 7162 1 16 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.433 -1.133 25493 7163 1 16 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.994 2.706 25493 7164 1 16 . 1 1 44 44 ILE H H 44 8.200 8.200 7.845 0.355 25493 7165 1 16 . 1 1 45 45 THR N N 45 112.200 112.200 116.330 -4.130 25493 7166 1 16 . 1 1 45 45 THR HA H 45 4.530 4.530 4.629 -0.099 25493 7167 1 16 . 1 1 45 45 THR C C 45 175.100 175.100 175.378 -0.278 25493 7168 1 16 . 1 1 45 45 THR CA C 45 59.800 59.800 60.405 -0.605 25493 7169 1 16 . 1 1 45 45 THR CB C 45 72.300 72.300 70.621 1.679 25493 7170 1 16 . 1 1 45 45 THR H H 45 7.330 7.330 7.973 -0.643 25493 7171 1 16 . 1 1 46 46 LYS N N 46 121.500 121.500 124.784 -3.284 25493 7172 1 16 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.816 -0.076 25493 7173 1 16 . 1 1 46 46 LYS C C 46 178.200 178.200 178.537 -0.337 25493 7174 1 16 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.538 0.462 25493 7175 1 16 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.762 0.738 25493 7176 1 16 . 1 1 46 46 LYS H H 46 9.090 9.090 8.898 0.192 25493 7177 1 16 . 1 1 47 47 GLU N N 47 118.400 118.400 118.987 -0.587 25493 7178 1 16 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.049 -0.029 25493 7179 1 16 . 1 1 47 47 GLU C C 47 179.000 179.000 177.445 1.555 25493 7180 1 16 . 1 1 47 47 GLU CA C 47 60.800 60.800 59.006 1.794 25493 7181 1 16 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.336 -0.636 25493 7182 1 16 . 1 1 47 47 GLU H H 47 9.010 9.010 8.691 0.319 25493 7183 1 16 . 1 1 48 48 ALA N N 48 122.300 122.300 120.299 2.001 25493 7184 1 16 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.404 -0.134 25493 7185 1 16 . 1 1 48 48 ALA C C 48 181.900 181.900 179.437 2.463 25493 7186 1 16 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.574 1.326 25493 7187 1 16 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.564 -0.763 25493 7188 1 16 . 1 1 48 48 ALA H H 48 7.860 7.860 7.474 0.386 25493 7189 1 16 . 1 1 49 49 LEU N N 49 122.200 122.200 121.899 0.301 25493 7190 1 16 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.053 -0.473 25493 7191 1 16 . 1 1 49 49 LEU C C 49 179.800 179.800 178.380 1.420 25493 7192 1 16 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.553 1.147 25493 7193 1 16 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.415 -0.115 25493 7194 1 16 . 1 1 49 49 LEU H H 49 8.260 8.260 8.103 0.157 25493 7195 1 16 . 1 1 50 50 GLU N N 50 120.400 120.400 117.728 2.672 25493 7196 1 16 . 1 1 50 50 GLU HA H 50 4.040 4.040 3.963 0.077 25493 7197 1 16 . 1 1 50 50 GLU C C 50 178.900 178.900 178.471 0.429 25493 7198 1 16 . 1 1 50 50 GLU CA C 50 59.200 59.200 59.582 -0.382 25493 7199 1 16 . 1 1 50 50 GLU CB C 50 29.200 29.200 28.769 0.431 25493 7200 1 16 . 1 1 50 50 GLU H H 50 8.120 8.120 8.396 -0.276 25493 7201 1 16 . 1 1 51 51 GLU N N 51 118.500 118.500 119.411 -0.911 25493 7202 1 16 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.166 -0.116 25493 7203 1 16 . 1 1 51 51 GLU C C 51 178.800 178.800 178.672 0.128 25493 7204 1 16 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.604 0.596 25493 7205 1 16 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.010 1.290 25493 7206 1 16 . 1 1 51 51 GLU H H 51 8.200 8.200 8.315 -0.115 25493 7207 1 16 . 1 1 52 52 THR N N 52 104.700 104.700 111.693 -6.993 25493 7208 1 16 . 1 1 52 52 THR HA H 52 4.090 4.090 4.177 -0.087 25493 7209 1 16 . 1 1 52 52 THR C C 52 175.400 175.400 175.275 0.125 25493 7210 1 16 . 1 1 52 52 THR CA C 52 63.100 63.100 62.607 0.493 25493 7211 1 16 . 1 1 52 52 THR CB C 52 71.800 71.800 68.866 2.934 25493 7212 1 16 . 1 1 52 52 THR H H 52 7.840 7.840 8.136 -0.296 25493 7213 1 16 . 1 1 53 53 ARG N N 53 114.400 114.400 118.380 -3.980 25493 7214 1 16 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.935 0.175 25493 7215 1 16 . 1 1 53 53 ARG C C 53 177.200 177.200 176.623 0.577 25493 7216 1 16 . 1 1 53 53 ARG CA C 53 57.300 57.300 57.109 0.191 25493 7217 1 16 . 1 1 53 53 ARG CB C 53 27.500 27.500 27.846 -0.346 25493 7218 1 16 . 1 1 53 53 ARG H H 53 7.680 7.680 7.310 0.370 25493 7219 1 16 . 1 1 54 54 LEU N N 54 117.200 117.200 119.242 -2.042 25493 7220 1 16 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.043 -0.233 25493 7221 1 16 . 1 1 54 54 LEU C C 54 178.200 178.200 178.280 -0.080 25493 7222 1 16 . 1 1 54 54 LEU CA C 54 58.700 58.700 58.142 0.558 25493 7223 1 16 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.576 1.824 25493 7224 1 16 . 1 1 54 54 LEU H H 54 7.460 7.460 7.452 0.008 25493 7225 1 16 . 1 1 55 55 GLY N N 55 105.900 105.900 106.242 -0.342 25493 7226 1 16 . 1 1 55 55 GLY C C 55 175.500 175.500 175.838 -0.338 25493 7227 1 16 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.175 0.025 25493 7228 1 16 . 1 1 55 55 GLY H H 55 8.650 8.650 8.468 0.182 25493 7229 1 16 . 1 1 56 56 LYS N N 56 123.300 123.300 121.278 2.022 25493 7230 1 16 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.053 0.057 25493 7231 1 16 . 1 1 56 56 LYS C C 56 178.300 178.300 178.052 0.248 25493 7232 1 16 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.555 0.645 25493 7233 1 16 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.007 0.493 25493 7234 1 16 . 1 1 56 56 LYS H H 56 7.210 7.210 8.039 -0.829 25493 7235 1 16 . 1 1 57 57 LEU N N 57 117.700 117.700 120.500 -2.800 25493 7236 1 16 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.234 -0.054 25493 7237 1 16 . 1 1 57 57 LEU C C 57 179.600 179.600 178.530 1.070 25493 7238 1 16 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.528 0.172 25493 7239 1 16 . 1 1 57 57 LEU CB C 57 43.400 43.400 42.317 1.083 25493 7240 1 16 . 1 1 57 57 LEU H H 57 7.900 7.900 7.463 0.437 25493 7241 1 16 . 1 1 58 58 ILE N N 58 116.600 116.600 119.968 -3.368 25493 7242 1 16 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.664 0.016 25493 7243 1 16 . 1 1 58 58 ILE C C 58 177.900 177.900 177.937 -0.037 25493 7244 1 16 . 1 1 58 58 ILE CA C 58 63.100 63.100 64.335 -1.235 25493 7245 1 16 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.729 -0.929 25493 7246 1 16 . 1 1 58 58 ILE H H 58 8.640 8.640 8.542 0.098 25493 7247 1 16 . 1 1 59 59 ASN N N 59 119.600 119.600 117.702 1.898 25493 7248 1 16 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.480 -0.110 25493 7249 1 16 . 1 1 59 59 ASN C C 59 176.700 176.700 176.731 -0.031 25493 7250 1 16 . 1 1 59 59 ASN CA C 59 57.000 57.000 56.094 0.906 25493 7251 1 16 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.152 0.348 25493 7252 1 16 . 1 1 59 59 ASN H H 59 8.120 8.120 8.543 -0.423 25493 7253 1 16 . 1 1 60 60 ASP N N 60 119.600 119.600 119.868 -0.268 25493 7254 1 16 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.597 -0.217 25493 7255 1 16 . 1 1 60 60 ASP C C 60 179.400 179.400 178.243 1.157 25493 7256 1 16 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.598 1.002 25493 7257 1 16 . 1 1 60 60 ASP CB C 60 39.600 39.600 41.328 -1.728 25493 7258 1 16 . 1 1 60 60 ASP H H 60 8.490 8.490 7.460 1.030 25493 7259 1 16 . 1 1 61 61 VAL N N 61 118.700 118.700 121.618 -2.918 25493 7260 1 16 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.741 0.009 25493 7261 1 16 . 1 1 61 61 VAL C C 61 179.000 179.000 177.203 1.797 25493 7262 1 16 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.295 0.505 25493 7263 1 16 . 1 1 61 61 VAL CB C 61 32.500 32.500 31.764 0.736 25493 7264 1 16 . 1 1 61 61 VAL H H 61 7.930 7.930 8.344 -0.414 25493 7265 1 16 . 1 1 62 62 ARG N N 62 120.900 120.900 117.391 3.509 25493 7266 1 16 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.075 -0.425 25493 7267 1 16 . 1 1 62 62 ARG C C 62 177.100 177.100 177.391 -0.291 25493 7268 1 16 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.742 0.458 25493 7269 1 16 . 1 1 62 62 ARG CB C 62 29.800 29.800 30.023 -0.223 25493 7270 1 16 . 1 1 62 62 ARG H H 62 8.620 8.620 7.832 0.788 25493 7271 1 16 . 1 1 63 63 LYS N N 63 115.700 115.700 118.161 -2.461 25493 7272 1 16 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.229 -0.299 25493 7273 1 16 . 1 1 63 63 LYS C C 63 177.600 177.600 178.064 -0.464 25493 7274 1 16 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.822 1.378 25493 7275 1 16 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.116 0.884 25493 7276 1 16 . 1 1 63 63 LYS H H 63 7.940 7.940 7.546 0.394 25493 7277 1 16 . 1 1 64 64 LYS N N 64 115.300 115.300 119.381 -4.081 25493 7278 1 16 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.200 0.230 25493 7279 1 16 . 1 1 64 64 LYS C C 64 176.900 176.900 177.101 -0.201 25493 7280 1 16 . 1 1 64 64 LYS CA C 64 55.400 55.400 58.136 -2.736 25493 7281 1 16 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.380 0.720 25493 7282 1 16 . 1 1 64 64 LYS H H 64 7.130 7.130 7.740 -0.610 25493 7283 1 16 . 1 1 65 65 THR N N 65 113.500 113.500 112.198 1.302 25493 7284 1 16 . 1 1 65 65 THR HA H 65 4.520 4.520 4.535 -0.015 25493 7285 1 16 . 1 1 65 65 THR C C 65 173.200 173.200 173.108 0.092 25493 7286 1 16 . 1 1 65 65 THR CA C 65 62.000 62.000 60.798 1.202 25493 7287 1 16 . 1 1 65 65 THR CB C 65 69.600 69.600 70.316 -0.716 25493 7288 1 16 . 1 1 65 65 THR H H 65 7.250 7.250 7.636 -0.386 25493 7289 1 16 . 1 1 66 66 LYS N N 66 125.700 125.700 123.424 2.276 25493 7290 1 16 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.466 0.044 25493 7291 1 16 . 1 1 66 66 LYS C C 66 175.900 175.900 176.354 -0.454 25493 7292 1 16 . 1 1 66 66 LYS CA C 66 55.400 55.400 55.456 -0.056 25493 7293 1 16 . 1 1 66 66 LYS CB C 66 32.000 32.000 32.086 -0.086 25493 7294 1 16 . 1 1 66 66 LYS H H 66 8.500 8.500 8.539 -0.039 25493 7295 1 16 . 1 1 67 67 ASN N N 67 122.100 122.100 124.863 -2.763 25493 7296 1 16 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.501 0.189 25493 7297 1 16 . 1 1 67 67 ASN C C 67 174.400 174.400 176.087 -1.687 25493 7298 1 16 . 1 1 67 67 ASN CA C 67 53.200 53.200 54.197 -0.996 25493 7299 1 16 . 1 1 67 67 ASN CB C 67 39.000 39.000 38.882 0.118 25493 7300 1 16 . 1 1 67 67 ASN H H 67 8.570 8.570 8.970 -0.400 25493 7301 1 16 . 1 1 68 68 GLU N N 68 128.400 128.400 118.863 9.537 25493 7302 1 16 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.002 -0.012 25493 7303 1 16 . 1 1 68 68 GLU C C 68 178.500 178.500 176.303 2.197 25493 7304 1 16 . 1 1 68 68 GLU CA C 68 59.300 59.300 58.981 0.319 25493 7305 1 16 . 1 1 68 68 GLU CB C 68 29.800 29.800 28.530 1.270 25493 7306 1 16 . 1 1 68 68 GLU H H 68 8.850 8.850 8.505 0.345 25493 7307 1 16 . 1 1 69 69 GLU N N 69 120.300 120.300 117.537 2.763 25493 7308 1 16 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.421 -0.391 25493 7309 1 16 . 1 1 69 69 GLU C C 69 179.000 179.000 177.410 1.590 25493 7310 1 16 . 1 1 69 69 GLU CA C 69 59.200 59.200 56.925 2.275 25493 7311 1 16 . 1 1 69 69 GLU CB C 69 29.200 29.200 30.646 -1.446 25493 7312 1 16 . 1 1 69 69 GLU H H 69 8.190 8.190 8.082 0.108 25493 7313 1 16 . 1 1 70 70 LEU N N 70 121.300 121.300 122.132 -0.832 25493 7314 1 16 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.049 -0.179 25493 7315 1 16 . 1 1 70 70 LEU C C 70 178.500 178.500 177.915 0.585 25493 7316 1 16 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.480 0.720 25493 7317 1 16 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.800 -1.100 25493 7318 1 16 . 1 1 70 70 LEU H H 70 8.120 8.120 7.909 0.211 25493 7319 1 16 . 1 1 71 71 ALA N N 71 121.000 121.000 121.050 -0.050 25493 7320 1 16 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.865 -0.125 25493 7321 1 16 . 1 1 71 71 ALA C C 71 180.100 180.100 178.234 1.866 25493 7322 1 16 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.123 1.377 25493 7323 1 16 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.603 -0.903 25493 7324 1 16 . 1 1 71 71 ALA H H 71 8.330 8.330 8.485 -0.155 25493 7325 1 16 . 1 1 72 72 LYS N N 72 118.200 118.200 114.575 3.625 25493 7326 1 16 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.438 -0.478 25493 7327 1 16 . 1 1 72 72 LYS C C 72 179.800 179.800 178.326 1.474 25493 7328 1 16 . 1 1 72 72 LYS CA C 72 59.800 59.800 57.538 2.263 25493 7329 1 16 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.460 0.040 25493 7330 1 16 . 1 1 72 72 LYS H H 72 8.150 8.150 7.768 0.382 25493 7331 1 16 . 1 1 73 73 ARG N N 73 120.600 120.600 121.447 -0.847 25493 7332 1 16 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.192 -0.202 25493 7333 1 16 . 1 1 73 73 ARG C C 73 180.100 180.100 177.842 2.258 25493 7334 1 16 . 1 1 73 73 ARG CA C 73 59.300 59.300 58.659 0.641 25493 7335 1 16 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.412 1.588 25493 7336 1 16 . 1 1 73 73 ARG H H 73 8.140 8.140 8.434 -0.294 25493 7337 1 16 . 1 1 74 74 ALA N N 74 121.700 121.700 122.180 -0.480 25493 7338 1 16 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.054 -0.274 25493 7339 1 16 . 1 1 74 74 ALA C C 74 178.100 178.100 179.610 -1.510 25493 7340 1 16 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.489 -0.589 25493 7341 1 16 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.237 -1.037 25493 7342 1 16 . 1 1 74 74 ALA H H 74 8.970 8.970 8.040 0.930 25493 7343 1 16 . 1 1 75 75 LYS N N 75 117.900 117.900 117.323 0.577 25493 7344 1 16 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.111 -0.371 25493 7345 1 16 . 1 1 75 75 LYS C C 75 178.300 178.300 178.778 -0.478 25493 7346 1 16 . 1 1 75 75 LYS CA C 75 60.300 60.300 58.407 1.893 25493 7347 1 16 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.272 0.228 25493 7348 1 16 . 1 1 75 75 LYS H H 75 8.200 8.200 7.511 0.689 25493 7349 1 16 . 1 1 76 76 LYS N N 76 118.800 118.800 119.497 -0.697 25493 7350 1 16 . 1 1 76 76 LYS HA H 76 3.890 3.890 3.949 -0.059 25493 7351 1 16 . 1 1 76 76 LYS C C 76 179.200 179.200 178.116 1.084 25493 7352 1 16 . 1 1 76 76 LYS CA C 76 59.800 59.800 59.147 0.653 25493 7353 1 16 . 1 1 76 76 LYS CB C 76 32.400 32.400 32.391 0.009 25493 7354 1 16 . 1 1 76 76 LYS H H 76 7.630 7.630 7.421 0.209 25493 7355 1 16 . 1 1 77 77 LEU N N 77 121.400 121.400 118.487 2.913 25493 7356 1 16 . 1 1 77 77 LEU HA H 77 3.630 3.630 4.095 -0.465 25493 7357 1 16 . 1 1 77 77 LEU C C 77 178.200 178.200 178.410 -0.210 25493 7358 1 16 . 1 1 77 77 LEU CA C 77 57.600 57.600 56.105 1.495 25493 7359 1 16 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.643 -0.843 25493 7360 1 16 . 1 1 77 77 LEU H H 77 7.430 7.430 7.703 -0.273 25493 7361 1 16 . 1 1 78 78 LEU N N 78 117.600 117.600 121.308 -3.708 25493 7362 1 16 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.660 0.100 25493 7363 1 16 . 1 1 78 78 LEU C C 78 180.300 180.300 178.713 1.587 25493 7364 1 16 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.907 0.192 25493 7365 1 16 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.910 0.290 25493 7366 1 16 . 1 1 78 78 LEU H H 78 7.960 7.960 8.376 -0.416 25493 7367 1 16 . 1 1 79 79 ARG N N 79 119.800 119.800 117.719 2.081 25493 7368 1 16 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.840 0.270 25493 7369 1 16 . 1 1 79 79 ARG C C 79 179.500 179.500 178.540 0.960 25493 7370 1 16 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.962 0.238 25493 7371 1 16 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.619 0.081 25493 7372 1 16 . 1 1 79 79 ARG H H 79 8.110 8.110 8.042 0.068 25493 7373 1 16 . 1 1 80 80 SER N N 80 117.800 117.800 115.046 2.754 25493 7374 1 16 . 1 1 80 80 SER HA H 80 4.310 4.310 4.109 0.201 25493 7375 1 16 . 1 1 80 80 SER C C 80 177.000 177.000 175.084 1.916 25493 7376 1 16 . 1 1 80 80 SER CA C 80 61.500 61.500 60.445 1.055 25493 7377 1 16 . 1 1 80 80 SER CB C 80 62.500 62.500 62.939 -0.439 25493 7378 1 16 . 1 1 80 80 SER H H 80 7.870 7.870 7.305 0.565 25493 7379 1 16 . 1 1 81 81 TRP N N 81 123.300 123.300 117.227 6.073 25493 7380 1 16 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.032 -0.222 25493 7381 1 16 . 1 1 81 81 TRP C C 81 178.200 178.200 176.699 1.501 25493 7382 1 16 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.787 0.713 25493 7383 1 16 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.501 0.699 25493 7384 1 16 . 1 1 81 81 TRP H H 81 8.010 8.010 7.169 0.841 25493 7385 1 16 . 1 1 82 82 GLN N N 82 120.400 120.400 121.932 -1.532 25493 7386 1 16 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.051 0.029 25493 7387 1 16 . 1 1 82 82 GLN C C 82 177.600 177.600 176.298 1.302 25493 7388 1 16 . 1 1 82 82 GLN CA C 82 59.200 59.200 59.132 0.068 25493 7389 1 16 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.532 -0.332 25493 7390 1 16 . 1 1 82 82 GLN H H 82 8.080 8.080 7.897 0.183 25493 7391 1 16 . 1 1 83 83 LYS N N 83 115.600 115.600 116.188 -0.588 25493 7392 1 16 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.289 -0.069 25493 7393 1 16 . 1 1 83 83 LYS C C 83 177.400 177.400 176.308 1.092 25493 7394 1 16 . 1 1 83 83 LYS CA C 83 57.600 57.600 57.025 0.575 25493 7395 1 16 . 1 1 83 83 LYS CB C 83 32.500 32.500 31.712 0.788 25493 7396 1 16 . 1 1 83 83 LYS H H 83 7.770 7.770 8.255 -0.485 25493 7397 1 16 . 1 1 84 84 LEU N N 84 117.900 117.900 118.321 -0.421 25493 7398 1 16 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.616 -0.336 25493 7399 1 16 . 1 1 84 84 LEU C C 84 177.500 177.500 176.888 0.612 25493 7400 1 16 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.428 0.572 25493 7401 1 16 . 1 1 84 84 LEU CB C 84 42.900 42.900 44.024 -1.124 25493 7402 1 16 . 1 1 84 84 LEU H H 84 7.670 7.670 7.890 -0.220 25493 7403 1 16 . 1 1 85 85 ILE N N 85 115.400 115.400 115.292 0.108 25493 7404 1 16 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.292 -0.162 25493 7405 1 16 . 1 1 85 85 ILE C C 85 175.100 175.100 174.268 0.832 25493 7406 1 16 . 1 1 85 85 ILE CA C 85 61.400 61.400 60.365 1.035 25493 7407 1 16 . 1 1 85 85 ILE CB C 85 39.600 39.600 39.416 0.184 25493 7408 1 16 . 1 1 85 85 ILE H H 85 7.490 7.490 7.966 -0.476 25493 7409 1 17 . 1 1 7 7 ALA N N 7 123.700 123.700 122.659 1.041 25493 7410 1 17 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.433 -0.013 25493 7411 1 17 . 1 1 7 7 ALA C C 7 176.700 176.700 175.371 1.329 25493 7412 1 17 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.596 0.004 25493 7413 1 17 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.884 -0.984 25493 7414 1 17 . 1 1 7 7 ALA H H 7 8.040 8.040 7.919 0.121 25493 7415 1 17 . 1 1 8 8 SER N N 8 117.100 117.100 116.961 0.139 25493 7416 1 17 . 1 1 8 8 SER HA H 8 4.750 4.750 4.323 0.427 25493 7417 1 17 . 1 1 8 8 SER CA C 8 56.000 56.000 56.197 -0.197 25493 7418 1 17 . 1 1 8 8 SER CB C 8 63.300 63.300 63.381 -0.081 25493 7419 1 17 . 1 1 8 8 SER H H 8 8.430 8.430 8.341 0.089 25493 7420 1 17 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.882 0.058 25493 7421 1 17 . 1 1 9 9 PRO C C 9 177.400 177.400 178.346 -0.946 25493 7422 1 17 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.505 0.295 25493 7423 1 17 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.618 0.382 25493 7424 1 17 . 1 1 10 10 GLN N N 10 116.000 116.000 116.440 -0.440 25493 7425 1 17 . 1 1 10 10 GLN HA H 10 3.660 3.660 3.967 -0.307 25493 7426 1 17 . 1 1 10 10 GLN C C 10 177.500 177.500 178.327 -0.827 25493 7427 1 17 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.612 0.688 25493 7428 1 17 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.945 -0.445 25493 7429 1 17 . 1 1 10 10 GLN H H 10 8.350 8.350 8.426 -0.076 25493 7430 1 17 . 1 1 11 11 GLN N N 11 119.200 119.200 118.459 0.741 25493 7431 1 17 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.122 -0.042 25493 7432 1 17 . 1 1 11 11 GLN C C 11 179.600 179.600 178.333 1.267 25493 7433 1 17 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.350 0.550 25493 7434 1 17 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.779 -0.179 25493 7435 1 17 . 1 1 11 11 GLN H H 11 7.680 7.680 7.577 0.103 25493 7436 1 17 . 1 1 12 12 ILE N N 12 121.300 121.300 114.855 6.445 25493 7437 1 17 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.849 -0.319 25493 7438 1 17 . 1 1 12 12 ILE C C 12 177.200 177.200 177.332 -0.132 25493 7439 1 17 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.803 1.497 25493 7440 1 17 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.161 0.239 25493 7441 1 17 . 1 1 12 12 ILE H H 12 8.190 8.190 7.821 0.369 25493 7442 1 17 . 1 1 13 13 ARG N N 13 120.200 120.200 122.171 -1.971 25493 7443 1 17 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.892 -0.152 25493 7444 1 17 . 1 1 13 13 ARG C C 13 177.700 177.700 177.761 -0.061 25493 7445 1 17 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.928 0.372 25493 7446 1 17 . 1 1 13 13 ARG CB C 13 28.200 28.200 30.028 -1.828 25493 7447 1 17 . 1 1 13 13 ARG H H 13 8.320 8.320 8.265 0.055 25493 7448 1 17 . 1 1 14 14 ASP N N 14 119.200 119.200 117.871 1.329 25493 7449 1 17 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.562 -0.232 25493 7450 1 17 . 1 1 14 14 ASP C C 14 178.800 178.800 176.673 2.127 25493 7451 1 17 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.809 2.191 25493 7452 1 17 . 1 1 14 14 ASP CB C 14 39.600 39.600 39.987 -0.387 25493 7453 1 17 . 1 1 14 14 ASP H H 14 8.280 8.280 7.994 0.286 25493 7454 1 17 . 1 1 15 15 ARG N N 15 120.400 120.400 118.296 2.104 25493 7455 1 17 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.454 -0.484 25493 7456 1 17 . 1 1 15 15 ARG C C 15 179.300 179.300 177.060 2.240 25493 7457 1 17 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.330 2.870 25493 7458 1 17 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.802 -1.802 25493 7459 1 17 . 1 1 15 15 ARG H H 15 7.980 7.980 7.516 0.464 25493 7460 1 17 . 1 1 16 16 LEU N N 16 120.500 120.500 120.605 -0.105 25493 7461 1 17 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.345 -0.375 25493 7462 1 17 . 1 1 16 16 LEU C C 16 178.500 178.500 177.919 0.581 25493 7463 1 17 . 1 1 16 16 LEU CA C 16 58.100 58.100 57.967 0.133 25493 7464 1 17 . 1 1 16 16 LEU CB C 16 41.200 41.200 42.200 -1.000 25493 7465 1 17 . 1 1 16 16 LEU H H 16 8.210 8.210 8.275 -0.065 25493 7466 1 17 . 1 1 17 17 LEU N N 17 116.100 116.100 119.341 -3.241 25493 7467 1 17 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.075 -0.075 25493 7468 1 17 . 1 1 17 17 LEU C C 17 179.400 179.400 179.162 0.238 25493 7469 1 17 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.880 -0.280 25493 7470 1 17 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.364 0.336 25493 7471 1 17 . 1 1 17 17 LEU H H 17 8.310 8.310 8.402 -0.092 25493 7472 1 17 . 1 1 18 18 GLN N N 18 114.300 114.300 116.683 -2.383 25493 7473 1 17 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.131 0.109 25493 7474 1 17 . 1 1 18 18 GLN C C 18 176.700 176.700 177.976 -1.276 25493 7475 1 17 . 1 1 18 18 GLN CA C 18 57.000 57.000 57.526 -0.526 25493 7476 1 17 . 1 1 18 18 GLN CB C 18 28.800 28.800 27.840 0.960 25493 7477 1 17 . 1 1 18 18 GLN H H 18 7.460 7.460 8.150 -0.690 25493 7478 1 17 . 1 1 19 19 ALA N N 19 120.800 120.800 121.222 -0.422 25493 7479 1 17 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.205 0.285 25493 7480 1 17 . 1 1 19 19 ALA C C 19 176.000 176.000 177.227 -1.227 25493 7481 1 17 . 1 1 19 19 ALA CA C 19 52.600 52.600 54.032 -1.432 25493 7482 1 17 . 1 1 19 19 ALA CB C 19 22.100 22.100 18.711 3.389 25493 7483 1 17 . 1 1 19 19 ALA H H 19 7.770 7.770 7.691 0.079 25493 7484 1 17 . 1 1 20 20 ILE N N 20 113.500 113.500 111.323 2.177 25493 7485 1 17 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.652 0.548 25493 7486 1 17 . 1 1 20 20 ILE C C 20 173.600 173.600 174.529 -0.929 25493 7487 1 17 . 1 1 20 20 ILE CA C 20 59.200 59.200 58.922 0.278 25493 7488 1 17 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.750 2.050 25493 7489 1 17 . 1 1 20 20 ILE H H 20 7.360 7.360 7.108 0.252 25493 7490 1 17 . 1 1 21 21 ASP N N 21 122.500 122.500 119.356 3.144 25493 7491 1 17 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.003 -0.023 25493 7492 1 17 . 1 1 21 21 ASP CA C 21 52.100 52.100 52.287 -0.187 25493 7493 1 17 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.252 -0.052 25493 7494 1 17 . 1 1 21 21 ASP H H 21 8.530 8.530 8.487 0.043 25493 7495 1 17 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.590 -0.140 25493 7496 1 17 . 1 1 22 22 PRO C C 22 177.500 177.500 175.844 1.656 25493 7497 1 17 . 1 1 22 22 PRO CA C 22 65.200 65.200 63.477 1.723 25493 7498 1 17 . 1 1 22 22 PRO CB C 22 31.900 31.900 30.804 1.096 25493 7499 1 17 . 1 1 23 23 GLN N N 23 115.900 115.900 119.962 -4.062 25493 7500 1 17 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.541 -0.121 25493 7501 1 17 . 1 1 23 23 GLN C C 23 174.800 174.800 175.561 -0.761 25493 7502 1 17 . 1 1 23 23 GLN CA C 23 55.400 55.400 56.331 -0.931 25493 7503 1 17 . 1 1 23 23 GLN CB C 23 28.700 28.700 30.905 -2.205 25493 7504 1 17 . 1 1 23 23 GLN H H 23 7.950 7.950 8.479 -0.529 25493 7505 1 17 . 1 1 24 24 SER N N 24 107.900 107.900 111.243 -3.343 25493 7506 1 17 . 1 1 24 24 SER HA H 24 3.730 3.730 4.601 -0.871 25493 7507 1 17 . 1 1 24 24 SER C C 24 173.200 173.200 174.088 -0.888 25493 7508 1 17 . 1 1 24 24 SER CA C 24 60.300 60.300 57.606 2.694 25493 7509 1 17 . 1 1 24 24 SER CB C 24 60.300 60.300 64.561 -4.261 25493 7510 1 17 . 1 1 24 24 SER H H 24 8.270 8.270 8.149 0.121 25493 7511 1 17 . 1 1 25 25 ASN N N 25 117.000 117.000 121.458 -4.458 25493 7512 1 17 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.746 -0.216 25493 7513 1 17 . 1 1 25 25 ASN C C 25 175.600 175.600 174.607 0.993 25493 7514 1 17 . 1 1 25 25 ASN CA C 25 52.800 52.800 54.109 -1.309 25493 7515 1 17 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.587 -1.087 25493 7516 1 17 . 1 1 25 25 ASN H H 25 8.500 8.500 7.503 0.997 25493 7517 1 17 . 1 1 26 26 ILE N N 26 122.400 122.400 118.069 4.331 25493 7518 1 17 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.179 -0.359 25493 7519 1 17 . 1 1 26 26 ILE C C 26 176.400 176.400 176.931 -0.531 25493 7520 1 17 . 1 1 26 26 ILE CA C 26 63.600 63.600 61.065 2.535 25493 7521 1 17 . 1 1 26 26 ILE CB C 26 38.600 38.600 38.723 -0.123 25493 7522 1 17 . 1 1 26 26 ILE H H 26 8.890 8.890 8.584 0.306 25493 7523 1 17 . 1 1 27 27 ARG N N 27 127.600 127.600 117.905 9.695 25493 7524 1 17 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.881 0.649 25493 7525 1 17 . 1 1 27 27 ARG C C 27 176.000 176.000 176.246 -0.246 25493 7526 1 17 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.959 -2.459 25493 7527 1 17 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.929 2.471 25493 7528 1 17 . 1 1 27 27 ARG H H 27 9.070 9.070 8.505 0.565 25493 7529 1 17 . 1 1 28 28 ASN N N 28 117.300 117.300 118.296 -0.996 25493 7530 1 17 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.960 -0.030 25493 7531 1 17 . 1 1 28 28 ASN C C 28 174.300 174.300 175.126 -0.826 25493 7532 1 17 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.979 -0.379 25493 7533 1 17 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.632 0.368 25493 7534 1 17 . 1 1 28 28 ASN H H 28 7.510 7.510 8.376 -0.866 25493 7535 1 17 . 1 1 29 29 MET N N 29 125.700 125.700 122.779 2.921 25493 7536 1 17 . 1 1 29 29 MET HA H 29 4.190 4.190 4.156 0.034 25493 7537 1 17 . 1 1 29 29 MET C C 29 177.300 177.300 176.937 0.363 25493 7538 1 17 . 1 1 29 29 MET CA C 29 57.600 57.600 59.053 -1.452 25493 7539 1 17 . 1 1 29 29 MET CB C 29 31.400 31.400 32.767 -1.367 25493 7540 1 17 . 1 1 29 29 MET H H 29 8.940 8.940 8.533 0.407 25493 7541 1 17 . 1 1 30 30 VAL N N 30 118.600 118.600 118.071 0.529 25493 7542 1 17 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.675 -0.155 25493 7543 1 17 . 1 1 30 30 VAL C C 30 178.800 178.800 177.066 1.734 25493 7544 1 17 . 1 1 30 30 VAL CA C 30 66.900 66.900 64.935 1.965 25493 7545 1 17 . 1 1 30 30 VAL CB C 30 31.500 31.500 31.644 -0.144 25493 7546 1 17 . 1 1 30 30 VAL H H 30 7.910 7.910 7.774 0.136 25493 7547 1 17 . 1 1 31 31 ALA N N 31 120.600 120.600 121.831 -1.231 25493 7548 1 17 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.178 -0.048 25493 7549 1 17 . 1 1 31 31 ALA C C 31 180.300 180.300 179.138 1.162 25493 7550 1 17 . 1 1 31 31 ALA CA C 31 54.300 54.300 55.229 -0.929 25493 7551 1 17 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.323 0.577 25493 7552 1 17 . 1 1 31 31 ALA H H 31 7.270 7.270 8.006 -0.736 25493 7553 1 17 . 1 1 32 32 VAL N N 32 117.900 117.900 117.404 0.496 25493 7554 1 17 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.904 -0.524 25493 7555 1 17 . 1 1 32 32 VAL C C 32 177.700 177.700 176.691 1.009 25493 7556 1 17 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.203 3.497 25493 7557 1 17 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.142 -1.242 25493 7558 1 17 . 1 1 32 32 VAL H H 32 7.640 7.640 7.515 0.125 25493 7559 1 17 . 1 1 33 33 LEU N N 33 119.900 119.900 119.461 0.439 25493 7560 1 17 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.357 -0.447 25493 7561 1 17 . 1 1 33 33 LEU C C 33 179.900 179.900 178.377 1.523 25493 7562 1 17 . 1 1 33 33 LEU CA C 33 58.300 58.300 56.957 1.343 25493 7563 1 17 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.923 -1.223 25493 7564 1 17 . 1 1 33 33 LEU H H 33 8.450 8.450 8.005 0.445 25493 7565 1 17 . 1 1 34 34 GLU N N 34 121.200 121.200 121.011 0.189 25493 7566 1 17 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.065 -0.005 25493 7567 1 17 . 1 1 34 34 GLU C C 34 179.800 179.800 179.053 0.747 25493 7568 1 17 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.661 0.139 25493 7569 1 17 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.563 -0.263 25493 7570 1 17 . 1 1 34 34 GLU H H 34 8.080 8.080 7.894 0.186 25493 7571 1 17 . 1 1 35 35 VAL N N 35 122.400 122.400 121.054 1.346 25493 7572 1 17 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.776 -0.176 25493 7573 1 17 . 1 1 35 35 VAL C C 35 177.900 177.900 177.052 0.848 25493 7574 1 17 . 1 1 35 35 VAL CA C 35 67.100 67.100 66.265 0.835 25493 7575 1 17 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.781 -0.881 25493 7576 1 17 . 1 1 35 35 VAL H H 35 8.060 8.060 7.536 0.524 25493 7577 1 17 . 1 1 36 36 ILE N N 36 119.800 119.800 118.785 1.015 25493 7578 1 17 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.870 -0.310 25493 7579 1 17 . 1 1 36 36 ILE C C 36 177.500 177.500 178.298 -0.798 25493 7580 1 17 . 1 1 36 36 ILE CA C 36 64.200 64.200 64.252 -0.052 25493 7581 1 17 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.832 -0.532 25493 7582 1 17 . 1 1 36 36 ILE H H 36 8.420 8.420 7.089 1.331 25493 7583 1 17 . 1 1 37 37 SER N N 37 114.700 114.700 113.132 1.568 25493 7584 1 17 . 1 1 37 37 SER HA H 37 4.290 4.290 4.149 0.141 25493 7585 1 17 . 1 1 37 37 SER C C 37 177.300 177.300 175.260 2.040 25493 7586 1 17 . 1 1 37 37 SER CA C 37 61.900 61.900 60.138 1.762 25493 7587 1 17 . 1 1 37 37 SER CB C 37 63.100 63.100 62.878 0.222 25493 7588 1 17 . 1 1 37 37 SER H H 37 8.430 8.430 8.422 0.008 25493 7589 1 17 . 1 1 38 38 SER N N 38 117.200 117.200 116.460 0.740 25493 7590 1 17 . 1 1 38 38 SER HA H 38 4.290 4.290 4.461 -0.171 25493 7591 1 17 . 1 1 38 38 SER C C 38 176.700 176.700 176.346 0.354 25493 7592 1 17 . 1 1 38 38 SER CA C 38 62.500 62.500 61.218 1.282 25493 7593 1 17 . 1 1 38 38 SER CB C 38 63.100 63.100 63.943 -0.843 25493 7594 1 17 . 1 1 38 38 SER H H 38 8.200 8.200 7.495 0.705 25493 7595 1 17 . 1 1 39 39 LEU N N 39 121.600 121.600 122.652 -1.052 25493 7596 1 17 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.273 0.097 25493 7597 1 17 . 1 1 39 39 LEU C C 39 178.700 178.700 178.740 -0.040 25493 7598 1 17 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.346 -0.246 25493 7599 1 17 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.669 1.131 25493 7600 1 17 . 1 1 39 39 LEU H H 39 8.150 8.150 8.603 -0.453 25493 7601 1 17 . 1 1 40 40 GLU N N 40 118.600 118.600 119.257 -0.657 25493 7602 1 17 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.308 -0.408 25493 7603 1 17 . 1 1 40 40 GLU C C 40 178.100 178.100 176.930 1.170 25493 7604 1 17 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.448 0.252 25493 7605 1 17 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.106 1.194 25493 7606 1 17 . 1 1 40 40 GLU H H 40 8.190 8.190 8.584 -0.394 25493 7607 1 17 . 1 1 41 41 LYS N N 41 116.300 116.300 115.764 0.536 25493 7608 1 17 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.510 -0.280 25493 7609 1 17 . 1 1 41 41 LYS C C 41 175.800 175.800 175.426 0.374 25493 7610 1 17 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.472 1.127 25493 7611 1 17 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.156 0.445 25493 7612 1 17 . 1 1 41 41 LYS H H 41 7.440 7.440 7.659 -0.219 25493 7613 1 17 . 1 1 42 42 TYR N N 42 121.400 121.400 124.182 -2.782 25493 7614 1 17 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.818 0.042 25493 7615 1 17 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.305 0.095 25493 7616 1 17 . 1 1 42 42 TYR CB C 42 39.600 39.600 40.306 -0.706 25493 7617 1 17 . 1 1 42 42 TYR H H 42 7.730 7.730 7.860 -0.130 25493 7618 1 17 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.601 0.159 25493 7619 1 17 . 1 1 43 43 PRO C C 43 175.800 175.800 175.639 0.161 25493 7620 1 17 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.355 0.145 25493 7621 1 17 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.620 -0.320 25493 7622 1 17 . 1 1 44 44 ILE N N 44 124.000 124.000 124.318 -0.318 25493 7623 1 17 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.040 0.430 25493 7624 1 17 . 1 1 44 44 ILE C C 44 174.300 174.300 176.336 -2.036 25493 7625 1 17 . 1 1 44 44 ILE CA C 44 60.300 60.300 62.035 -1.735 25493 7626 1 17 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.572 3.128 25493 7627 1 17 . 1 1 44 44 ILE H H 44 8.200 8.200 7.855 0.345 25493 7628 1 17 . 1 1 45 45 THR N N 45 112.200 112.200 115.384 -3.184 25493 7629 1 17 . 1 1 45 45 THR HA H 45 4.530 4.530 4.619 -0.089 25493 7630 1 17 . 1 1 45 45 THR C C 45 175.100 175.100 175.266 -0.166 25493 7631 1 17 . 1 1 45 45 THR CA C 45 59.800 59.800 60.137 -0.337 25493 7632 1 17 . 1 1 45 45 THR CB C 45 72.300 72.300 71.471 0.829 25493 7633 1 17 . 1 1 45 45 THR H H 45 7.330 7.330 8.037 -0.707 25493 7634 1 17 . 1 1 46 46 LYS N N 46 121.500 121.500 124.522 -3.022 25493 7635 1 17 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.845 -0.105 25493 7636 1 17 . 1 1 46 46 LYS C C 46 178.200 178.200 178.487 -0.287 25493 7637 1 17 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.612 0.388 25493 7638 1 17 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.746 0.754 25493 7639 1 17 . 1 1 46 46 LYS H H 46 9.090 9.090 8.897 0.193 25493 7640 1 17 . 1 1 47 47 GLU N N 47 118.400 118.400 119.259 -0.859 25493 7641 1 17 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.073 -0.053 25493 7642 1 17 . 1 1 47 47 GLU C C 47 179.000 179.000 177.438 1.562 25493 7643 1 17 . 1 1 47 47 GLU CA C 47 60.800 60.800 58.603 2.197 25493 7644 1 17 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.360 -0.659 25493 7645 1 17 . 1 1 47 47 GLU H H 47 9.010 9.010 8.725 0.285 25493 7646 1 17 . 1 1 48 48 ALA N N 48 122.300 122.300 120.928 1.372 25493 7647 1 17 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.173 0.097 25493 7648 1 17 . 1 1 48 48 ALA C C 48 181.900 181.900 179.167 2.733 25493 7649 1 17 . 1 1 48 48 ALA CA C 48 54.900 54.900 54.150 0.750 25493 7650 1 17 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.699 -0.899 25493 7651 1 17 . 1 1 48 48 ALA H H 48 7.860 7.860 7.618 0.242 25493 7652 1 17 . 1 1 49 49 LEU N N 49 122.200 122.200 121.743 0.457 25493 7653 1 17 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.064 -0.484 25493 7654 1 17 . 1 1 49 49 LEU C C 49 179.800 179.800 178.254 1.546 25493 7655 1 17 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.632 1.068 25493 7656 1 17 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.519 -0.219 25493 7657 1 17 . 1 1 49 49 LEU H H 49 8.260 8.260 8.208 0.052 25493 7658 1 17 . 1 1 50 50 GLU N N 50 120.400 120.400 116.746 3.654 25493 7659 1 17 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.068 -0.028 25493 7660 1 17 . 1 1 50 50 GLU C C 50 178.900 178.900 178.023 0.877 25493 7661 1 17 . 1 1 50 50 GLU CA C 50 59.200 59.200 58.772 0.428 25493 7662 1 17 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.342 -0.142 25493 7663 1 17 . 1 1 50 50 GLU H H 50 8.120 8.120 8.301 -0.181 25493 7664 1 17 . 1 1 51 51 GLU N N 51 118.500 118.500 118.016 0.484 25493 7665 1 17 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.280 -0.230 25493 7666 1 17 . 1 1 51 51 GLU C C 51 178.800 178.800 177.853 0.947 25493 7667 1 17 . 1 1 51 51 GLU CA C 51 59.200 59.200 57.972 1.228 25493 7668 1 17 . 1 1 51 51 GLU CB C 51 30.300 30.300 30.068 0.232 25493 7669 1 17 . 1 1 51 51 GLU H H 51 8.200 8.200 7.605 0.595 25493 7670 1 17 . 1 1 52 52 THR N N 52 104.700 104.700 111.853 -7.153 25493 7671 1 17 . 1 1 52 52 THR HA H 52 4.090 4.090 4.343 -0.253 25493 7672 1 17 . 1 1 52 52 THR C C 52 175.400 175.400 175.231 0.169 25493 7673 1 17 . 1 1 52 52 THR CA C 52 63.100 63.100 62.094 1.006 25493 7674 1 17 . 1 1 52 52 THR CB C 52 71.800 71.800 69.232 2.568 25493 7675 1 17 . 1 1 52 52 THR H H 52 7.840 7.840 8.150 -0.310 25493 7676 1 17 . 1 1 53 53 ARG N N 53 114.400 114.400 119.646 -5.246 25493 7677 1 17 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.953 0.157 25493 7678 1 17 . 1 1 53 53 ARG C C 53 177.200 177.200 175.777 1.423 25493 7679 1 17 . 1 1 53 53 ARG CA C 53 57.300 57.300 57.013 0.287 25493 7680 1 17 . 1 1 53 53 ARG CB C 53 27.500 27.500 27.986 -0.486 25493 7681 1 17 . 1 1 53 53 ARG H H 53 7.680 7.680 7.841 -0.161 25493 7682 1 17 . 1 1 54 54 LEU N N 54 117.200 117.200 119.586 -2.386 25493 7683 1 17 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.229 -0.419 25493 7684 1 17 . 1 1 54 54 LEU C C 54 178.200 178.200 177.706 0.494 25493 7685 1 17 . 1 1 54 54 LEU CA C 54 58.700 58.700 57.508 1.192 25493 7686 1 17 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.685 1.715 25493 7687 1 17 . 1 1 54 54 LEU H H 54 7.460 7.460 7.423 0.037 25493 7688 1 17 . 1 1 55 55 GLY N N 55 105.900 105.900 106.501 -0.601 25493 7689 1 17 . 1 1 55 55 GLY C C 55 175.500 175.500 175.670 -0.170 25493 7690 1 17 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.153 0.047 25493 7691 1 17 . 1 1 55 55 GLY H H 55 8.650 8.650 8.141 0.509 25493 7692 1 17 . 1 1 56 56 LYS N N 56 123.300 123.300 121.711 1.589 25493 7693 1 17 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.085 0.025 25493 7694 1 17 . 1 1 56 56 LYS C C 56 178.300 178.300 178.529 -0.229 25493 7695 1 17 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.894 0.306 25493 7696 1 17 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.318 0.182 25493 7697 1 17 . 1 1 56 56 LYS H H 56 7.210 7.210 7.849 -0.639 25493 7698 1 17 . 1 1 57 57 LEU N N 57 117.700 117.700 120.940 -3.240 25493 7699 1 17 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.117 0.063 25493 7700 1 17 . 1 1 57 57 LEU C C 57 179.600 179.600 178.752 0.848 25493 7701 1 17 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.587 0.113 25493 7702 1 17 . 1 1 57 57 LEU CB C 57 43.400 43.400 41.958 1.442 25493 7703 1 17 . 1 1 57 57 LEU H H 57 7.900 7.900 7.405 0.495 25493 7704 1 17 . 1 1 58 58 ILE N N 58 116.600 116.600 119.644 -3.044 25493 7705 1 17 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.671 0.009 25493 7706 1 17 . 1 1 58 58 ILE C C 58 177.900 177.900 178.437 -0.537 25493 7707 1 17 . 1 1 58 58 ILE CA C 58 63.100 63.100 64.499 -1.399 25493 7708 1 17 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.509 -0.709 25493 7709 1 17 . 1 1 58 58 ILE H H 58 8.640 8.640 7.891 0.749 25493 7710 1 17 . 1 1 59 59 ASN N N 59 119.600 119.600 117.991 1.609 25493 7711 1 17 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.467 -0.097 25493 7712 1 17 . 1 1 59 59 ASN C C 59 176.700 176.700 176.695 0.005 25493 7713 1 17 . 1 1 59 59 ASN CA C 59 57.000 57.000 56.235 0.765 25493 7714 1 17 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.271 0.229 25493 7715 1 17 . 1 1 59 59 ASN H H 59 8.120 8.120 8.562 -0.442 25493 7716 1 17 . 1 1 60 60 ASP N N 60 119.600 119.600 118.590 1.010 25493 7717 1 17 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.650 -0.270 25493 7718 1 17 . 1 1 60 60 ASP C C 60 179.400 179.400 178.110 1.290 25493 7719 1 17 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.894 0.706 25493 7720 1 17 . 1 1 60 60 ASP CB C 60 39.600 39.600 41.990 -2.390 25493 7721 1 17 . 1 1 60 60 ASP H H 60 8.490 8.490 7.461 1.029 25493 7722 1 17 . 1 1 61 61 VAL N N 61 118.700 118.700 122.206 -3.506 25493 7723 1 17 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.771 -0.021 25493 7724 1 17 . 1 1 61 61 VAL C C 61 179.000 179.000 176.876 2.124 25493 7725 1 17 . 1 1 61 61 VAL CA C 61 65.800 65.800 64.910 0.890 25493 7726 1 17 . 1 1 61 61 VAL CB C 61 32.500 32.500 32.095 0.405 25493 7727 1 17 . 1 1 61 61 VAL H H 61 7.930 7.930 8.107 -0.177 25493 7728 1 17 . 1 1 62 62 ARG N N 62 120.900 120.900 116.653 4.247 25493 7729 1 17 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.130 -0.480 25493 7730 1 17 . 1 1 62 62 ARG C C 62 177.100 177.100 176.816 0.284 25493 7731 1 17 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.306 0.894 25493 7732 1 17 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.976 -0.176 25493 7733 1 17 . 1 1 62 62 ARG H H 62 8.620 8.620 7.662 0.958 25493 7734 1 17 . 1 1 63 63 LYS N N 63 115.700 115.700 118.059 -2.359 25493 7735 1 17 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.281 -0.351 25493 7736 1 17 . 1 1 63 63 LYS C C 63 177.600 177.600 177.927 -0.327 25493 7737 1 17 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.575 1.625 25493 7738 1 17 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.276 0.724 25493 7739 1 17 . 1 1 63 63 LYS H H 63 7.940 7.940 7.543 0.397 25493 7740 1 17 . 1 1 64 64 LYS N N 64 115.300 115.300 119.536 -4.236 25493 7741 1 17 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.136 0.294 25493 7742 1 17 . 1 1 64 64 LYS C C 64 176.900 176.900 177.563 -0.663 25493 7743 1 17 . 1 1 64 64 LYS CA C 64 55.400 55.400 58.272 -2.872 25493 7744 1 17 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.098 1.002 25493 7745 1 17 . 1 1 64 64 LYS H H 64 7.130 7.130 8.043 -0.913 25493 7746 1 17 . 1 1 65 65 THR N N 65 113.500 113.500 114.108 -0.608 25493 7747 1 17 . 1 1 65 65 THR HA H 65 4.520 4.520 4.503 0.017 25493 7748 1 17 . 1 1 65 65 THR C C 65 173.200 173.200 173.311 -0.111 25493 7749 1 17 . 1 1 65 65 THR CA C 65 62.000 62.000 60.346 1.654 25493 7750 1 17 . 1 1 65 65 THR CB C 65 69.600 69.600 70.825 -1.224 25493 7751 1 17 . 1 1 65 65 THR H H 65 7.250 7.250 7.873 -0.623 25493 7752 1 17 . 1 1 66 66 LYS N N 66 125.700 125.700 123.515 2.185 25493 7753 1 17 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.406 0.104 25493 7754 1 17 . 1 1 66 66 LYS C C 66 175.900 175.900 175.410 0.490 25493 7755 1 17 . 1 1 66 66 LYS CA C 66 55.400 55.400 55.225 0.175 25493 7756 1 17 . 1 1 66 66 LYS CB C 66 32.000 32.000 32.349 -0.349 25493 7757 1 17 . 1 1 66 66 LYS H H 66 8.500 8.500 8.462 0.038 25493 7758 1 17 . 1 1 67 67 ASN N N 67 122.100 122.100 124.525 -2.425 25493 7759 1 17 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.598 0.092 25493 7760 1 17 . 1 1 67 67 ASN C C 67 174.400 174.400 175.650 -1.250 25493 7761 1 17 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.763 -0.563 25493 7762 1 17 . 1 1 67 67 ASN CB C 67 39.000 39.000 39.453 -0.453 25493 7763 1 17 . 1 1 67 67 ASN H H 67 8.570 8.570 8.813 -0.243 25493 7764 1 17 . 1 1 68 68 GLU N N 68 128.400 128.400 119.133 9.267 25493 7765 1 17 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.283 -0.293 25493 7766 1 17 . 1 1 68 68 GLU C C 68 178.500 178.500 176.085 2.415 25493 7767 1 17 . 1 1 68 68 GLU CA C 68 59.300 59.300 58.385 0.915 25493 7768 1 17 . 1 1 68 68 GLU CB C 68 29.800 29.800 30.083 -0.283 25493 7769 1 17 . 1 1 68 68 GLU H H 68 8.850 8.850 8.430 0.420 25493 7770 1 17 . 1 1 69 69 GLU N N 69 120.300 120.300 116.555 3.745 25493 7771 1 17 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.398 -0.368 25493 7772 1 17 . 1 1 69 69 GLU C C 69 179.000 179.000 177.237 1.763 25493 7773 1 17 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.438 1.762 25493 7774 1 17 . 1 1 69 69 GLU CB C 69 29.200 29.200 30.444 -1.244 25493 7775 1 17 . 1 1 69 69 GLU H H 69 8.190 8.190 8.261 -0.071 25493 7776 1 17 . 1 1 70 70 LEU N N 70 121.300 121.300 121.974 -0.674 25493 7777 1 17 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.110 -0.240 25493 7778 1 17 . 1 1 70 70 LEU C C 70 178.500 178.500 177.957 0.543 25493 7779 1 17 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.389 0.811 25493 7780 1 17 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.689 -0.989 25493 7781 1 17 . 1 1 70 70 LEU H H 70 8.120 8.120 8.483 -0.363 25493 7782 1 17 . 1 1 71 71 ALA N N 71 121.000 121.000 120.294 0.706 25493 7783 1 17 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.918 -0.178 25493 7784 1 17 . 1 1 71 71 ALA C C 71 180.100 180.100 178.430 1.670 25493 7785 1 17 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.187 1.313 25493 7786 1 17 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.528 -0.828 25493 7787 1 17 . 1 1 71 71 ALA H H 71 8.330 8.330 8.575 -0.245 25493 7788 1 17 . 1 1 72 72 LYS N N 72 118.200 118.200 116.072 2.128 25493 7789 1 17 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.356 -0.396 25493 7790 1 17 . 1 1 72 72 LYS C C 72 179.800 179.800 178.492 1.308 25493 7791 1 17 . 1 1 72 72 LYS CA C 72 59.800 59.800 57.920 1.880 25493 7792 1 17 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.203 0.297 25493 7793 1 17 . 1 1 72 72 LYS H H 72 8.150 8.150 7.583 0.567 25493 7794 1 17 . 1 1 73 73 ARG N N 73 120.600 120.600 121.042 -0.442 25493 7795 1 17 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.103 -0.113 25493 7796 1 17 . 1 1 73 73 ARG C C 73 180.100 180.100 178.175 1.925 25493 7797 1 17 . 1 1 73 73 ARG CA C 73 59.300 59.300 58.791 0.509 25493 7798 1 17 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.356 1.644 25493 7799 1 17 . 1 1 73 73 ARG H H 73 8.140 8.140 8.464 -0.324 25493 7800 1 17 . 1 1 74 74 ALA N N 74 121.700 121.700 122.087 -0.387 25493 7801 1 17 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.091 -0.311 25493 7802 1 17 . 1 1 74 74 ALA C C 74 178.100 178.100 179.201 -1.101 25493 7803 1 17 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.317 -0.417 25493 7804 1 17 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.272 -1.072 25493 7805 1 17 . 1 1 74 74 ALA H H 74 8.970 8.970 8.114 0.856 25493 7806 1 17 . 1 1 75 75 LYS N N 75 117.900 117.900 118.025 -0.125 25493 7807 1 17 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.120 -0.380 25493 7808 1 17 . 1 1 75 75 LYS C C 75 178.300 178.300 178.206 0.094 25493 7809 1 17 . 1 1 75 75 LYS CA C 75 60.300 60.300 58.072 2.228 25493 7810 1 17 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.257 0.243 25493 7811 1 17 . 1 1 75 75 LYS H H 75 8.200 8.200 7.751 0.449 25493 7812 1 17 . 1 1 76 76 LYS N N 76 118.800 118.800 117.301 1.499 25493 7813 1 17 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.392 -0.502 25493 7814 1 17 . 1 1 76 76 LYS C C 76 179.200 179.200 176.941 2.259 25493 7815 1 17 . 1 1 76 76 LYS CA C 76 59.800 59.800 57.085 2.715 25493 7816 1 17 . 1 1 76 76 LYS CB C 76 32.400 32.400 33.367 -0.967 25493 7817 1 17 . 1 1 76 76 LYS H H 76 7.630 7.630 7.639 -0.009 25493 7818 1 17 . 1 1 77 77 LEU N N 77 121.400 121.400 121.663 -0.263 25493 7819 1 17 . 1 1 77 77 LEU HA H 77 3.630 3.630 4.195 -0.565 25493 7820 1 17 . 1 1 77 77 LEU C C 77 178.200 178.200 177.877 0.323 25493 7821 1 17 . 1 1 77 77 LEU CA C 77 57.600 57.600 56.653 0.947 25493 7822 1 17 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.336 -0.536 25493 7823 1 17 . 1 1 77 77 LEU H H 77 7.430 7.430 7.700 -0.270 25493 7824 1 17 . 1 1 78 78 LEU N N 78 117.600 117.600 120.718 -3.118 25493 7825 1 17 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.647 0.113 25493 7826 1 17 . 1 1 78 78 LEU C C 78 180.300 180.300 178.131 2.169 25493 7827 1 17 . 1 1 78 78 LEU CA C 78 58.100 58.100 58.332 -0.232 25493 7828 1 17 . 1 1 78 78 LEU CB C 78 41.200 41.200 41.338 -0.138 25493 7829 1 17 . 1 1 78 78 LEU H H 78 7.960 7.960 8.570 -0.610 25493 7830 1 17 . 1 1 79 79 ARG N N 79 119.800 119.800 117.097 2.703 25493 7831 1 17 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.819 0.291 25493 7832 1 17 . 1 1 79 79 ARG C C 79 179.500 179.500 177.956 1.544 25493 7833 1 17 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.123 1.077 25493 7834 1 17 . 1 1 79 79 ARG CB C 79 29.700 29.700 28.542 1.158 25493 7835 1 17 . 1 1 79 79 ARG H H 79 8.110 8.110 8.164 -0.054 25493 7836 1 17 . 1 1 80 80 SER N N 80 117.800 117.800 114.039 3.761 25493 7837 1 17 . 1 1 80 80 SER HA H 80 4.310 4.310 4.085 0.225 25493 7838 1 17 . 1 1 80 80 SER C C 80 177.000 177.000 174.988 2.012 25493 7839 1 17 . 1 1 80 80 SER CA C 80 61.500 61.500 59.607 1.893 25493 7840 1 17 . 1 1 80 80 SER CB C 80 62.500 62.500 62.805 -0.305 25493 7841 1 17 . 1 1 80 80 SER H H 80 7.870 7.870 7.487 0.383 25493 7842 1 17 . 1 1 81 81 TRP N N 81 123.300 123.300 116.502 6.798 25493 7843 1 17 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.007 -0.197 25493 7844 1 17 . 1 1 81 81 TRP C C 81 178.200 178.200 177.328 0.872 25493 7845 1 17 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.538 0.962 25493 7846 1 17 . 1 1 81 81 TRP CB C 81 29.200 29.200 29.312 -0.112 25493 7847 1 17 . 1 1 81 81 TRP H H 81 8.010 8.010 7.009 1.001 25493 7848 1 17 . 1 1 82 82 GLN N N 82 120.400 120.400 122.772 -2.372 25493 7849 1 17 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.072 0.008 25493 7850 1 17 . 1 1 82 82 GLN C C 82 177.600 177.600 176.348 1.252 25493 7851 1 17 . 1 1 82 82 GLN CA C 82 59.200 59.200 58.946 0.255 25493 7852 1 17 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.599 -0.400 25493 7853 1 17 . 1 1 82 82 GLN H H 82 8.080 8.080 7.555 0.525 25493 7854 1 17 . 1 1 83 83 LYS N N 83 115.600 115.600 116.198 -0.598 25493 7855 1 17 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.208 0.012 25493 7856 1 17 . 1 1 83 83 LYS C C 83 177.400 177.400 177.144 0.256 25493 7857 1 17 . 1 1 83 83 LYS CA C 83 57.600 57.600 57.440 0.160 25493 7858 1 17 . 1 1 83 83 LYS CB C 83 32.500 32.500 32.047 0.453 25493 7859 1 17 . 1 1 83 83 LYS H H 83 7.770 7.770 7.846 -0.076 25493 7860 1 17 . 1 1 84 84 LEU N N 84 117.900 117.900 118.359 -0.459 25493 7861 1 17 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.517 -0.237 25493 7862 1 17 . 1 1 84 84 LEU C C 84 177.500 177.500 177.898 -0.398 25493 7863 1 17 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.353 0.647 25493 7864 1 17 . 1 1 84 84 LEU CB C 84 42.900 42.900 43.606 -0.706 25493 7865 1 17 . 1 1 84 84 LEU H H 84 7.670 7.670 8.013 -0.343 25493 7866 1 17 . 1 1 85 85 ILE N N 85 115.400 115.400 114.514 0.886 25493 7867 1 17 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.424 -0.294 25493 7868 1 17 . 1 1 85 85 ILE C C 85 175.100 175.100 175.283 -0.183 25493 7869 1 17 . 1 1 85 85 ILE CA C 85 61.400 61.400 59.688 1.712 25493 7870 1 17 . 1 1 85 85 ILE CB C 85 39.600 39.600 39.352 0.248 25493 7871 1 17 . 1 1 85 85 ILE H H 85 7.490 7.490 7.796 -0.306 25493 7872 1 18 . 1 1 7 7 ALA N N 7 123.700 123.700 122.809 0.891 25493 7873 1 18 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.457 -0.037 25493 7874 1 18 . 1 1 7 7 ALA C C 7 176.700 176.700 175.472 1.228 25493 7875 1 18 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.766 -0.166 25493 7876 1 18 . 1 1 7 7 ALA CB C 7 19.900 19.900 21.062 -1.162 25493 7877 1 18 . 1 1 7 7 ALA H H 7 8.040 8.040 7.950 0.090 25493 7878 1 18 . 1 1 8 8 SER N N 8 117.100 117.100 116.951 0.149 25493 7879 1 18 . 1 1 8 8 SER HA H 8 4.750 4.750 4.116 0.634 25493 7880 1 18 . 1 1 8 8 SER CA C 8 56.000 56.000 56.764 -0.764 25493 7881 1 18 . 1 1 8 8 SER CB C 8 63.300 63.300 63.409 -0.109 25493 7882 1 18 . 1 1 8 8 SER H H 8 8.430 8.430 8.280 0.150 25493 7883 1 18 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.898 0.042 25493 7884 1 18 . 1 1 9 9 PRO C C 9 177.400 177.400 178.047 -0.647 25493 7885 1 18 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.638 0.162 25493 7886 1 18 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.729 0.272 25493 7887 1 18 . 1 1 10 10 GLN N N 10 116.000 116.000 116.564 -0.564 25493 7888 1 18 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.012 -0.352 25493 7889 1 18 . 1 1 10 10 GLN C C 10 177.500 177.500 178.250 -0.750 25493 7890 1 18 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.627 0.673 25493 7891 1 18 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.561 -0.061 25493 7892 1 18 . 1 1 10 10 GLN H H 10 8.350 8.350 8.219 0.131 25493 7893 1 18 . 1 1 11 11 GLN N N 11 119.200 119.200 118.674 0.526 25493 7894 1 18 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.091 -0.011 25493 7895 1 18 . 1 1 11 11 GLN C C 11 179.600 179.600 178.088 1.512 25493 7896 1 18 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.821 0.079 25493 7897 1 18 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.293 0.307 25493 7898 1 18 . 1 1 11 11 GLN H H 11 7.680 7.680 8.230 -0.550 25493 7899 1 18 . 1 1 12 12 ILE N N 12 121.300 121.300 113.143 8.157 25493 7900 1 18 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.935 -0.405 25493 7901 1 18 . 1 1 12 12 ILE C C 12 177.200 177.200 177.427 -0.227 25493 7902 1 18 . 1 1 12 12 ILE CA C 12 65.300 65.300 64.047 1.253 25493 7903 1 18 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.558 -0.158 25493 7904 1 18 . 1 1 12 12 ILE H H 12 8.190 8.190 8.188 0.002 25493 7905 1 18 . 1 1 13 13 ARG N N 13 120.200 120.200 121.887 -1.687 25493 7906 1 18 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.930 -0.190 25493 7907 1 18 . 1 1 13 13 ARG C C 13 177.700 177.700 178.215 -0.515 25493 7908 1 18 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.678 0.622 25493 7909 1 18 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.751 -1.551 25493 7910 1 18 . 1 1 13 13 ARG H H 13 8.320 8.320 7.843 0.477 25493 7911 1 18 . 1 1 14 14 ASP N N 14 119.200 119.200 118.806 0.394 25493 7912 1 18 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.488 -0.158 25493 7913 1 18 . 1 1 14 14 ASP C C 14 178.800 178.800 177.390 1.410 25493 7914 1 18 . 1 1 14 14 ASP CA C 14 58.000 58.000 56.297 1.703 25493 7915 1 18 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.329 -0.729 25493 7916 1 18 . 1 1 14 14 ASP H H 14 8.280 8.280 8.294 -0.014 25493 7917 1 18 . 1 1 15 15 ARG N N 15 120.400 120.400 117.493 2.907 25493 7918 1 18 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.439 -0.469 25493 7919 1 18 . 1 1 15 15 ARG C C 15 179.300 179.300 177.052 2.248 25493 7920 1 18 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.655 2.545 25493 7921 1 18 . 1 1 15 15 ARG CB C 15 30.000 30.000 30.535 -0.535 25493 7922 1 18 . 1 1 15 15 ARG H H 15 7.980 7.980 7.753 0.227 25493 7923 1 18 . 1 1 16 16 LEU N N 16 120.500 120.500 119.361 1.139 25493 7924 1 18 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.498 -0.528 25493 7925 1 18 . 1 1 16 16 LEU C C 16 178.500 178.500 176.777 1.723 25493 7926 1 18 . 1 1 16 16 LEU CA C 16 58.100 58.100 57.414 0.686 25493 7927 1 18 . 1 1 16 16 LEU CB C 16 41.200 41.200 43.247 -2.047 25493 7928 1 18 . 1 1 16 16 LEU H H 16 8.210 8.210 8.344 -0.134 25493 7929 1 18 . 1 1 17 17 LEU N N 17 116.100 116.100 119.595 -3.495 25493 7930 1 18 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.130 -0.130 25493 7931 1 18 . 1 1 17 17 LEU C C 17 179.400 179.400 179.142 0.258 25493 7932 1 18 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.441 0.159 25493 7933 1 18 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.384 0.316 25493 7934 1 18 . 1 1 17 17 LEU H H 17 8.310 8.310 8.342 -0.032 25493 7935 1 18 . 1 1 18 18 GLN N N 18 114.300 114.300 116.837 -2.537 25493 7936 1 18 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.152 0.088 25493 7937 1 18 . 1 1 18 18 GLN C C 18 176.700 176.700 176.732 -0.032 25493 7938 1 18 . 1 1 18 18 GLN CA C 18 57.000 57.000 57.006 -0.006 25493 7939 1 18 . 1 1 18 18 GLN CB C 18 28.800 28.800 28.088 0.712 25493 7940 1 18 . 1 1 18 18 GLN H H 18 7.460 7.460 7.841 -0.381 25493 7941 1 18 . 1 1 19 19 ALA N N 19 120.800 120.800 119.851 0.949 25493 7942 1 18 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.282 0.208 25493 7943 1 18 . 1 1 19 19 ALA C C 19 176.000 176.000 177.178 -1.178 25493 7944 1 18 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.287 -0.687 25493 7945 1 18 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.188 2.912 25493 7946 1 18 . 1 1 19 19 ALA H H 19 7.770 7.770 8.195 -0.425 25493 7947 1 18 . 1 1 20 20 ILE N N 20 113.500 113.500 111.506 1.994 25493 7948 1 18 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.588 0.612 25493 7949 1 18 . 1 1 20 20 ILE C C 20 173.600 173.600 174.863 -1.263 25493 7950 1 18 . 1 1 20 20 ILE CA C 20 59.200 59.200 58.860 0.340 25493 7951 1 18 . 1 1 20 20 ILE CB C 20 41.800 41.800 40.005 1.795 25493 7952 1 18 . 1 1 20 20 ILE H H 20 7.360 7.360 7.189 0.171 25493 7953 1 18 . 1 1 21 21 ASP N N 21 122.500 122.500 118.942 3.558 25493 7954 1 18 . 1 1 21 21 ASP HA H 21 4.980 4.980 4.833 0.147 25493 7955 1 18 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.687 0.413 25493 7956 1 18 . 1 1 21 21 ASP CB C 21 41.200 41.200 40.184 1.016 25493 7957 1 18 . 1 1 21 21 ASP H H 21 8.530 8.530 8.329 0.201 25493 7958 1 18 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.472 -0.022 25493 7959 1 18 . 1 1 22 22 PRO C C 22 177.500 177.500 176.328 1.172 25493 7960 1 18 . 1 1 22 22 PRO CA C 22 65.200 65.200 64.360 0.840 25493 7961 1 18 . 1 1 22 22 PRO CB C 22 31.900 31.900 31.483 0.417 25493 7962 1 18 . 1 1 23 23 GLN N N 23 115.900 115.900 116.076 -0.176 25493 7963 1 18 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.559 -0.139 25493 7964 1 18 . 1 1 23 23 GLN C C 23 174.800 174.800 175.708 -0.908 25493 7965 1 18 . 1 1 23 23 GLN CA C 23 55.400 55.400 56.741 -1.341 25493 7966 1 18 . 1 1 23 23 GLN CB C 23 28.700 28.700 31.814 -3.114 25493 7967 1 18 . 1 1 23 23 GLN H H 23 7.950 7.950 8.047 -0.097 25493 7968 1 18 . 1 1 24 24 SER N N 24 107.900 107.900 108.509 -0.609 25493 7969 1 18 . 1 1 24 24 SER HA H 24 3.730 3.730 4.581 -0.851 25493 7970 1 18 . 1 1 24 24 SER C C 24 173.200 173.200 173.831 -0.631 25493 7971 1 18 . 1 1 24 24 SER CA C 24 60.300 60.300 58.085 2.215 25493 7972 1 18 . 1 1 24 24 SER CB C 24 60.300 60.300 64.582 -4.282 25493 7973 1 18 . 1 1 24 24 SER H H 24 8.270 8.270 8.440 -0.170 25493 7974 1 18 . 1 1 25 25 ASN N N 25 117.000 117.000 122.174 -5.174 25493 7975 1 18 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.750 -0.220 25493 7976 1 18 . 1 1 25 25 ASN C C 25 175.600 175.600 174.614 0.986 25493 7977 1 18 . 1 1 25 25 ASN CA C 25 52.800 52.800 54.147 -1.347 25493 7978 1 18 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.463 -0.963 25493 7979 1 18 . 1 1 25 25 ASN H H 25 8.500 8.500 8.882 -0.382 25493 7980 1 18 . 1 1 26 26 ILE N N 26 122.400 122.400 117.797 4.603 25493 7981 1 18 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.228 -0.408 25493 7982 1 18 . 1 1 26 26 ILE C C 26 176.400 176.400 176.497 -0.097 25493 7983 1 18 . 1 1 26 26 ILE CA C 26 63.600 63.600 60.633 2.966 25493 7984 1 18 . 1 1 26 26 ILE CB C 26 38.600 38.600 39.536 -0.936 25493 7985 1 18 . 1 1 26 26 ILE H H 26 8.890 8.890 8.515 0.375 25493 7986 1 18 . 1 1 27 27 ARG N N 27 127.600 127.600 118.765 8.835 25493 7987 1 18 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.856 0.674 25493 7988 1 18 . 1 1 27 27 ARG C C 27 176.000 176.000 176.876 -0.876 25493 7989 1 18 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.783 -2.284 25493 7990 1 18 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.638 2.762 25493 7991 1 18 . 1 1 27 27 ARG H H 27 9.070 9.070 8.411 0.659 25493 7992 1 18 . 1 1 28 28 ASN N N 28 117.300 117.300 119.786 -2.486 25493 7993 1 18 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.918 0.012 25493 7994 1 18 . 1 1 28 28 ASN C C 28 174.300 174.300 175.385 -1.085 25493 7995 1 18 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.821 -0.221 25493 7996 1 18 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.335 0.665 25493 7997 1 18 . 1 1 28 28 ASN H H 28 7.510 7.510 8.263 -0.753 25493 7998 1 18 . 1 1 29 29 MET N N 29 125.700 125.700 123.842 1.858 25493 7999 1 18 . 1 1 29 29 MET HA H 29 4.190 4.190 4.172 0.018 25493 8000 1 18 . 1 1 29 29 MET C C 29 177.300 177.300 176.521 0.779 25493 8001 1 18 . 1 1 29 29 MET CA C 29 57.600 57.600 59.021 -1.421 25493 8002 1 18 . 1 1 29 29 MET CB C 29 31.400 31.400 32.901 -1.501 25493 8003 1 18 . 1 1 29 29 MET H H 29 8.940 8.940 7.882 1.058 25493 8004 1 18 . 1 1 30 30 VAL N N 30 118.600 118.600 114.232 4.368 25493 8005 1 18 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.968 -0.448 25493 8006 1 18 . 1 1 30 30 VAL C C 30 178.800 178.800 176.180 2.620 25493 8007 1 18 . 1 1 30 30 VAL CA C 30 66.900 66.900 63.906 2.994 25493 8008 1 18 . 1 1 30 30 VAL CB C 30 31.500 31.500 30.836 0.664 25493 8009 1 18 . 1 1 30 30 VAL H H 30 7.910 7.910 7.601 0.309 25493 8010 1 18 . 1 1 31 31 ALA N N 31 120.600 120.600 122.047 -1.447 25493 8011 1 18 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.352 -0.222 25493 8012 1 18 . 1 1 31 31 ALA C C 31 180.300 180.300 178.849 1.451 25493 8013 1 18 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.141 0.159 25493 8014 1 18 . 1 1 31 31 ALA CB C 31 18.900 18.900 19.334 -0.434 25493 8015 1 18 . 1 1 31 31 ALA H H 31 7.270 7.270 7.994 -0.724 25493 8016 1 18 . 1 1 32 32 VAL N N 32 117.900 117.900 119.367 -1.467 25493 8017 1 18 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.842 -0.462 25493 8018 1 18 . 1 1 32 32 VAL C C 32 177.700 177.700 177.176 0.524 25493 8019 1 18 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.818 2.882 25493 8020 1 18 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.391 -1.491 25493 8021 1 18 . 1 1 32 32 VAL H H 32 7.640 7.640 7.474 0.166 25493 8022 1 18 . 1 1 33 33 LEU N N 33 119.900 119.900 120.313 -0.413 25493 8023 1 18 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.035 -0.125 25493 8024 1 18 . 1 1 33 33 LEU C C 33 179.900 179.900 178.939 0.961 25493 8025 1 18 . 1 1 33 33 LEU CA C 33 58.300 58.300 57.862 0.438 25493 8026 1 18 . 1 1 33 33 LEU CB C 33 40.700 40.700 40.877 -0.177 25493 8027 1 18 . 1 1 33 33 LEU H H 33 8.450 8.450 8.242 0.208 25493 8028 1 18 . 1 1 34 34 GLU N N 34 121.200 121.200 119.141 2.059 25493 8029 1 18 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.078 -0.018 25493 8030 1 18 . 1 1 34 34 GLU C C 34 179.800 179.800 179.070 0.730 25493 8031 1 18 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.819 -0.019 25493 8032 1 18 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.118 0.182 25493 8033 1 18 . 1 1 34 34 GLU H H 34 8.080 8.080 8.419 -0.339 25493 8034 1 18 . 1 1 35 35 VAL N N 35 122.400 122.400 119.115 3.285 25493 8035 1 18 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.984 -0.384 25493 8036 1 18 . 1 1 35 35 VAL C C 35 177.900 177.900 178.116 -0.216 25493 8037 1 18 . 1 1 35 35 VAL CA C 35 67.100 67.100 64.773 2.327 25493 8038 1 18 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.860 -0.960 25493 8039 1 18 . 1 1 35 35 VAL H H 35 8.060 8.060 7.430 0.630 25493 8040 1 18 . 1 1 36 36 ILE N N 36 119.800 119.800 122.377 -2.577 25493 8041 1 18 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.798 -0.238 25493 8042 1 18 . 1 1 36 36 ILE C C 36 177.500 177.500 178.145 -0.645 25493 8043 1 18 . 1 1 36 36 ILE CA C 36 64.200 64.200 64.777 -0.577 25493 8044 1 18 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.591 -0.291 25493 8045 1 18 . 1 1 36 36 ILE H H 36 8.420 8.420 7.403 1.017 25493 8046 1 18 . 1 1 37 37 SER N N 37 114.700 114.700 113.009 1.691 25493 8047 1 18 . 1 1 37 37 SER HA H 37 4.290 4.290 4.343 -0.053 25493 8048 1 18 . 1 1 37 37 SER C C 37 177.300 177.300 174.856 2.444 25493 8049 1 18 . 1 1 37 37 SER CA C 37 61.900 61.900 59.603 2.297 25493 8050 1 18 . 1 1 37 37 SER CB C 37 63.100 63.100 62.295 0.805 25493 8051 1 18 . 1 1 37 37 SER H H 37 8.430 8.430 8.148 0.282 25493 8052 1 18 . 1 1 38 38 SER N N 38 117.200 117.200 116.884 0.316 25493 8053 1 18 . 1 1 38 38 SER HA H 38 4.290 4.290 4.535 -0.245 25493 8054 1 18 . 1 1 38 38 SER C C 38 176.700 176.700 176.754 -0.054 25493 8055 1 18 . 1 1 38 38 SER CA C 38 62.500 62.500 60.881 1.619 25493 8056 1 18 . 1 1 38 38 SER CB C 38 63.100 63.100 63.802 -0.702 25493 8057 1 18 . 1 1 38 38 SER H H 38 8.200 8.200 7.388 0.812 25493 8058 1 18 . 1 1 39 39 LEU N N 39 121.600 121.600 123.555 -1.955 25493 8059 1 18 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.237 0.133 25493 8060 1 18 . 1 1 39 39 LEU C C 39 178.700 178.700 178.939 -0.239 25493 8061 1 18 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.803 -0.703 25493 8062 1 18 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.743 1.057 25493 8063 1 18 . 1 1 39 39 LEU H H 39 8.150 8.150 8.639 -0.489 25493 8064 1 18 . 1 1 40 40 GLU N N 40 118.600 118.600 118.903 -0.303 25493 8065 1 18 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.234 -0.334 25493 8066 1 18 . 1 1 40 40 GLU C C 40 178.100 178.100 177.086 1.014 25493 8067 1 18 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.767 -0.067 25493 8068 1 18 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.664 0.636 25493 8069 1 18 . 1 1 40 40 GLU H H 40 8.190 8.190 8.597 -0.407 25493 8070 1 18 . 1 1 41 41 LYS N N 41 116.300 116.300 114.701 1.599 25493 8071 1 18 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.519 -0.289 25493 8072 1 18 . 1 1 41 41 LYS C C 41 175.800 175.800 175.449 0.351 25493 8073 1 18 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.954 0.646 25493 8074 1 18 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.264 0.336 25493 8075 1 18 . 1 1 41 41 LYS H H 41 7.440 7.440 7.631 -0.191 25493 8076 1 18 . 1 1 42 42 TYR N N 42 121.400 121.400 123.789 -2.389 25493 8077 1 18 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.841 0.019 25493 8078 1 18 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.366 0.034 25493 8079 1 18 . 1 1 42 42 TYR CB C 42 39.600 39.600 40.568 -0.968 25493 8080 1 18 . 1 1 42 42 TYR H H 42 7.730 7.730 7.928 -0.198 25493 8081 1 18 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.445 0.315 25493 8082 1 18 . 1 1 43 43 PRO C C 43 175.800 175.800 175.657 0.143 25493 8083 1 18 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.690 -0.190 25493 8084 1 18 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.631 -0.331 25493 8085 1 18 . 1 1 44 44 ILE N N 44 124.000 124.000 124.614 -0.614 25493 8086 1 18 . 1 1 44 44 ILE HA H 44 4.470 4.470 3.996 0.474 25493 8087 1 18 . 1 1 44 44 ILE C C 44 174.300 174.300 176.061 -1.761 25493 8088 1 18 . 1 1 44 44 ILE CA C 44 60.300 60.300 60.973 -0.673 25493 8089 1 18 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.617 3.083 25493 8090 1 18 . 1 1 44 44 ILE H H 44 8.200 8.200 7.759 0.441 25493 8091 1 18 . 1 1 45 45 THR N N 45 112.200 112.200 116.274 -4.074 25493 8092 1 18 . 1 1 45 45 THR HA H 45 4.530 4.530 4.657 -0.127 25493 8093 1 18 . 1 1 45 45 THR C C 45 175.100 175.100 174.901 0.199 25493 8094 1 18 . 1 1 45 45 THR CA C 45 59.800 59.800 60.112 -0.312 25493 8095 1 18 . 1 1 45 45 THR CB C 45 72.300 72.300 71.183 1.117 25493 8096 1 18 . 1 1 45 45 THR H H 45 7.330 7.330 8.069 -0.739 25493 8097 1 18 . 1 1 46 46 LYS N N 46 121.500 121.500 125.345 -3.845 25493 8098 1 18 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.797 -0.057 25493 8099 1 18 . 1 1 46 46 LYS C C 46 178.200 178.200 178.544 -0.344 25493 8100 1 18 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.415 0.585 25493 8101 1 18 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.875 0.625 25493 8102 1 18 . 1 1 46 46 LYS H H 46 9.090 9.090 8.879 0.211 25493 8103 1 18 . 1 1 47 47 GLU N N 47 118.400 118.400 119.153 -0.753 25493 8104 1 18 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.087 -0.067 25493 8105 1 18 . 1 1 47 47 GLU C C 47 179.000 179.000 177.353 1.647 25493 8106 1 18 . 1 1 47 47 GLU CA C 47 60.800 60.800 58.372 2.428 25493 8107 1 18 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.418 -0.718 25493 8108 1 18 . 1 1 47 47 GLU H H 47 9.010 9.010 8.681 0.329 25493 8109 1 18 . 1 1 48 48 ALA N N 48 122.300 122.300 120.759 1.541 25493 8110 1 18 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.185 0.085 25493 8111 1 18 . 1 1 48 48 ALA C C 48 181.900 181.900 178.705 3.195 25493 8112 1 18 . 1 1 48 48 ALA CA C 48 54.900 54.900 54.307 0.593 25493 8113 1 18 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.857 -1.057 25493 8114 1 18 . 1 1 48 48 ALA H H 48 7.860 7.860 7.709 0.151 25493 8115 1 18 . 1 1 49 49 LEU N N 49 122.200 122.200 122.095 0.105 25493 8116 1 18 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.105 -0.525 25493 8117 1 18 . 1 1 49 49 LEU C C 49 179.800 179.800 178.325 1.475 25493 8118 1 18 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.716 0.984 25493 8119 1 18 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.511 -0.211 25493 8120 1 18 . 1 1 49 49 LEU H H 49 8.260 8.260 8.340 -0.080 25493 8121 1 18 . 1 1 50 50 GLU N N 50 120.400 120.400 118.167 2.233 25493 8122 1 18 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.039 0.001 25493 8123 1 18 . 1 1 50 50 GLU C C 50 178.900 178.900 178.428 0.472 25493 8124 1 18 . 1 1 50 50 GLU CA C 50 59.200 59.200 58.907 0.293 25493 8125 1 18 . 1 1 50 50 GLU CB C 50 29.200 29.200 28.890 0.310 25493 8126 1 18 . 1 1 50 50 GLU H H 50 8.120 8.120 8.315 -0.195 25493 8127 1 18 . 1 1 51 51 GLU N N 51 118.500 118.500 118.066 0.434 25493 8128 1 18 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.168 -0.118 25493 8129 1 18 . 1 1 51 51 GLU C C 51 178.800 178.800 177.184 1.616 25493 8130 1 18 . 1 1 51 51 GLU CA C 51 59.200 59.200 57.969 1.231 25493 8131 1 18 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.536 0.764 25493 8132 1 18 . 1 1 51 51 GLU H H 51 8.200 8.200 8.463 -0.263 25493 8133 1 18 . 1 1 52 52 THR N N 52 104.700 104.700 107.617 -2.917 25493 8134 1 18 . 1 1 52 52 THR HA H 52 4.090 4.090 4.550 -0.460 25493 8135 1 18 . 1 1 52 52 THR C C 52 175.400 175.400 174.694 0.706 25493 8136 1 18 . 1 1 52 52 THR CA C 52 63.100 63.100 61.311 1.789 25493 8137 1 18 . 1 1 52 52 THR CB C 52 71.800 71.800 69.683 2.116 25493 8138 1 18 . 1 1 52 52 THR H H 52 7.840 7.840 7.469 0.371 25493 8139 1 18 . 1 1 53 53 ARG N N 53 114.400 114.400 118.876 -4.476 25493 8140 1 18 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.924 0.186 25493 8141 1 18 . 1 1 53 53 ARG C C 53 177.200 177.200 176.131 1.069 25493 8142 1 18 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.853 0.447 25493 8143 1 18 . 1 1 53 53 ARG CB C 53 27.500 27.500 27.390 0.110 25493 8144 1 18 . 1 1 53 53 ARG H H 53 7.680 7.680 7.925 -0.245 25493 8145 1 18 . 1 1 54 54 LEU N N 54 117.200 117.200 118.809 -1.609 25493 8146 1 18 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.169 -0.359 25493 8147 1 18 . 1 1 54 54 LEU C C 54 178.200 178.200 178.505 -0.305 25493 8148 1 18 . 1 1 54 54 LEU CA C 54 58.700 58.700 57.561 1.139 25493 8149 1 18 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.594 1.806 25493 8150 1 18 . 1 1 54 54 LEU H H 54 7.460 7.460 7.588 -0.128 25493 8151 1 18 . 1 1 55 55 GLY N N 55 105.900 105.900 106.206 -0.306 25493 8152 1 18 . 1 1 55 55 GLY C C 55 175.500 175.500 175.498 0.002 25493 8153 1 18 . 1 1 55 55 GLY CA C 55 47.200 47.200 46.832 0.368 25493 8154 1 18 . 1 1 55 55 GLY H H 55 8.650 8.650 8.436 0.214 25493 8155 1 18 . 1 1 56 56 LYS N N 56 123.300 123.300 121.558 1.742 25493 8156 1 18 . 1 1 56 56 LYS HA H 56 4.110 4.110 3.967 0.143 25493 8157 1 18 . 1 1 56 56 LYS C C 56 178.300 178.300 178.347 -0.047 25493 8158 1 18 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.267 0.933 25493 8159 1 18 . 1 1 56 56 LYS CB C 56 32.500 32.500 31.627 0.873 25493 8160 1 18 . 1 1 56 56 LYS H H 56 7.210 7.210 7.785 -0.575 25493 8161 1 18 . 1 1 57 57 LEU N N 57 117.700 117.700 119.157 -1.457 25493 8162 1 18 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.057 0.123 25493 8163 1 18 . 1 1 57 57 LEU C C 57 179.600 179.600 178.294 1.306 25493 8164 1 18 . 1 1 57 57 LEU CA C 57 57.700 57.700 58.124 -0.424 25493 8165 1 18 . 1 1 57 57 LEU CB C 57 43.400 43.400 42.041 1.359 25493 8166 1 18 . 1 1 57 57 LEU H H 57 7.900 7.900 8.032 -0.132 25493 8167 1 18 . 1 1 58 58 ILE N N 58 116.600 116.600 118.289 -1.689 25493 8168 1 18 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.834 -0.154 25493 8169 1 18 . 1 1 58 58 ILE C C 58 177.900 177.900 178.260 -0.360 25493 8170 1 18 . 1 1 58 58 ILE CA C 58 63.100 63.100 63.723 -0.623 25493 8171 1 18 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.903 -1.103 25493 8172 1 18 . 1 1 58 58 ILE H H 58 8.640 8.640 7.427 1.213 25493 8173 1 18 . 1 1 59 59 ASN N N 59 119.600 119.600 117.744 1.856 25493 8174 1 18 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.646 -0.276 25493 8175 1 18 . 1 1 59 59 ASN C C 59 176.700 176.700 175.506 1.194 25493 8176 1 18 . 1 1 59 59 ASN CA C 59 57.000 57.000 55.224 1.776 25493 8177 1 18 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.158 0.341 25493 8178 1 18 . 1 1 59 59 ASN H H 59 8.120 8.120 8.538 -0.418 25493 8179 1 18 . 1 1 60 60 ASP N N 60 119.600 119.600 119.954 -0.354 25493 8180 1 18 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.777 -0.397 25493 8181 1 18 . 1 1 60 60 ASP C C 60 179.400 179.400 177.911 1.489 25493 8182 1 18 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.384 1.216 25493 8183 1 18 . 1 1 60 60 ASP CB C 60 39.600 39.600 42.695 -3.095 25493 8184 1 18 . 1 1 60 60 ASP H H 60 8.490 8.490 7.543 0.947 25493 8185 1 18 . 1 1 61 61 VAL N N 61 118.700 118.700 122.951 -4.251 25493 8186 1 18 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.931 -0.181 25493 8187 1 18 . 1 1 61 61 VAL C C 61 179.000 179.000 176.875 2.125 25493 8188 1 18 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.601 0.199 25493 8189 1 18 . 1 1 61 61 VAL CB C 61 32.500 32.500 32.161 0.339 25493 8190 1 18 . 1 1 61 61 VAL H H 61 7.930 7.930 8.240 -0.310 25493 8191 1 18 . 1 1 62 62 ARG N N 62 120.900 120.900 116.673 4.227 25493 8192 1 18 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.209 -0.559 25493 8193 1 18 . 1 1 62 62 ARG C C 62 177.100 177.100 177.315 -0.215 25493 8194 1 18 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.575 0.625 25493 8195 1 18 . 1 1 62 62 ARG CB C 62 29.800 29.800 30.044 -0.244 25493 8196 1 18 . 1 1 62 62 ARG H H 62 8.620 8.620 7.558 1.062 25493 8197 1 18 . 1 1 63 63 LYS N N 63 115.700 115.700 117.668 -1.968 25493 8198 1 18 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.260 -0.330 25493 8199 1 18 . 1 1 63 63 LYS C C 63 177.600 177.600 178.002 -0.402 25493 8200 1 18 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.586 1.614 25493 8201 1 18 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.306 0.694 25493 8202 1 18 . 1 1 63 63 LYS H H 63 7.940 7.940 7.631 0.309 25493 8203 1 18 . 1 1 64 64 LYS N N 64 115.300 115.300 119.842 -4.542 25493 8204 1 18 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.258 0.172 25493 8205 1 18 . 1 1 64 64 LYS C C 64 176.900 176.900 178.050 -1.150 25493 8206 1 18 . 1 1 64 64 LYS CA C 64 55.400 55.400 58.601 -3.201 25493 8207 1 18 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.038 1.062 25493 8208 1 18 . 1 1 64 64 LYS H H 64 7.130 7.130 7.845 -0.715 25493 8209 1 18 . 1 1 65 65 THR N N 65 113.500 113.500 110.121 3.379 25493 8210 1 18 . 1 1 65 65 THR HA H 65 4.520 4.520 4.397 0.123 25493 8211 1 18 . 1 1 65 65 THR C C 65 173.200 173.200 174.100 -0.900 25493 8212 1 18 . 1 1 65 65 THR CA C 65 62.000 62.000 62.655 -0.655 25493 8213 1 18 . 1 1 65 65 THR CB C 65 69.600 69.600 69.811 -0.211 25493 8214 1 18 . 1 1 65 65 THR H H 65 7.250 7.250 7.770 -0.520 25493 8215 1 18 . 1 1 66 66 LYS N N 66 125.700 125.700 119.943 5.757 25493 8216 1 18 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.047 0.463 25493 8217 1 18 . 1 1 66 66 LYS C C 66 175.900 175.900 174.858 1.042 25493 8218 1 18 . 1 1 66 66 LYS CA C 66 55.400 55.400 57.440 -2.040 25493 8219 1 18 . 1 1 66 66 LYS CB C 66 32.000 32.000 32.106 -0.106 25493 8220 1 18 . 1 1 66 66 LYS H H 66 8.500 8.500 7.978 0.522 25493 8221 1 18 . 1 1 67 67 ASN N N 67 122.100 122.100 119.790 2.310 25493 8222 1 18 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.889 -0.199 25493 8223 1 18 . 1 1 67 67 ASN C C 67 174.400 174.400 175.152 -0.752 25493 8224 1 18 . 1 1 67 67 ASN CA C 67 53.200 53.200 51.742 1.458 25493 8225 1 18 . 1 1 67 67 ASN CB C 67 39.000 39.000 39.215 -0.215 25493 8226 1 18 . 1 1 67 67 ASN H H 67 8.570 8.570 8.490 0.080 25493 8227 1 18 . 1 1 68 68 GLU N N 68 128.400 128.400 119.897 8.503 25493 8228 1 18 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.793 0.197 25493 8229 1 18 . 1 1 68 68 GLU C C 68 178.500 178.500 177.457 1.043 25493 8230 1 18 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.851 -0.551 25493 8231 1 18 . 1 1 68 68 GLU CB C 68 29.800 29.800 27.635 2.165 25493 8232 1 18 . 1 1 68 68 GLU H H 68 8.850 8.850 8.587 0.263 25493 8233 1 18 . 1 1 69 69 GLU N N 69 120.300 120.300 120.255 0.045 25493 8234 1 18 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.362 -0.332 25493 8235 1 18 . 1 1 69 69 GLU C C 69 179.000 179.000 178.516 0.484 25493 8236 1 18 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.739 1.461 25493 8237 1 18 . 1 1 69 69 GLU CB C 69 29.200 29.200 30.249 -1.049 25493 8238 1 18 . 1 1 69 69 GLU H H 69 8.190 8.190 7.989 0.201 25493 8239 1 18 . 1 1 70 70 LEU N N 70 121.300 121.300 120.513 0.787 25493 8240 1 18 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.381 -0.511 25493 8241 1 18 . 1 1 70 70 LEU C C 70 178.500 178.500 177.839 0.661 25493 8242 1 18 . 1 1 70 70 LEU CA C 70 58.200 58.200 55.038 3.162 25493 8243 1 18 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.553 -0.853 25493 8244 1 18 . 1 1 70 70 LEU H H 70 8.120 8.120 8.078 0.042 25493 8245 1 18 . 1 1 71 71 ALA N N 71 121.000 121.000 122.162 -1.162 25493 8246 1 18 . 1 1 71 71 ALA HA H 71 3.740 3.740 4.013 -0.273 25493 8247 1 18 . 1 1 71 71 ALA C C 71 180.100 180.100 178.074 2.026 25493 8248 1 18 . 1 1 71 71 ALA CA C 71 56.500 56.500 54.962 1.538 25493 8249 1 18 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.814 -1.114 25493 8250 1 18 . 1 1 71 71 ALA H H 71 8.330 8.330 7.917 0.413 25493 8251 1 18 . 1 1 72 72 LYS N N 72 118.200 118.200 114.432 3.768 25493 8252 1 18 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.583 -0.623 25493 8253 1 18 . 1 1 72 72 LYS C C 72 179.800 179.800 178.961 0.839 25493 8254 1 18 . 1 1 72 72 LYS CA C 72 59.800 59.800 56.689 3.111 25493 8255 1 18 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.499 0.001 25493 8256 1 18 . 1 1 72 72 LYS H H 72 8.150 8.150 7.756 0.394 25493 8257 1 18 . 1 1 73 73 ARG N N 73 120.600 120.600 120.611 -0.011 25493 8258 1 18 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.084 -0.094 25493 8259 1 18 . 1 1 73 73 ARG C C 73 180.100 180.100 177.536 2.564 25493 8260 1 18 . 1 1 73 73 ARG CA C 73 59.300 59.300 57.479 1.821 25493 8261 1 18 . 1 1 73 73 ARG CB C 73 32.000 32.000 29.070 2.930 25493 8262 1 18 . 1 1 73 73 ARG H H 73 8.140 8.140 8.797 -0.657 25493 8263 1 18 . 1 1 74 74 ALA N N 74 121.700 121.700 120.445 1.255 25493 8264 1 18 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.097 -0.317 25493 8265 1 18 . 1 1 74 74 ALA C C 74 178.100 178.100 178.647 -0.547 25493 8266 1 18 . 1 1 74 74 ALA CA C 74 54.900 54.900 54.589 0.312 25493 8267 1 18 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.293 -1.093 25493 8268 1 18 . 1 1 74 74 ALA H H 74 8.970 8.970 7.695 1.275 25493 8269 1 18 . 1 1 75 75 LYS N N 75 117.900 117.900 117.207 0.693 25493 8270 1 18 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.302 -0.562 25493 8271 1 18 . 1 1 75 75 LYS C C 75 178.300 178.300 178.447 -0.147 25493 8272 1 18 . 1 1 75 75 LYS CA C 75 60.300 60.300 57.451 2.849 25493 8273 1 18 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.740 -0.240 25493 8274 1 18 . 1 1 75 75 LYS H H 75 8.200 8.200 7.721 0.479 25493 8275 1 18 . 1 1 76 76 LYS N N 76 118.800 118.800 120.733 -1.933 25493 8276 1 18 . 1 1 76 76 LYS HA H 76 3.890 3.890 3.988 -0.098 25493 8277 1 18 . 1 1 76 76 LYS C C 76 179.200 179.200 179.070 0.130 25493 8278 1 18 . 1 1 76 76 LYS CA C 76 59.800 59.800 58.934 0.866 25493 8279 1 18 . 1 1 76 76 LYS CB C 76 32.400 32.400 32.127 0.273 25493 8280 1 18 . 1 1 76 76 LYS H H 76 7.630 7.630 7.564 0.066 25493 8281 1 18 . 1 1 77 77 LEU N N 77 121.400 121.400 119.163 2.237 25493 8282 1 18 . 1 1 77 77 LEU HA H 77 3.630 3.630 3.942 -0.312 25493 8283 1 18 . 1 1 77 77 LEU C C 77 178.200 178.200 178.862 -0.662 25493 8284 1 18 . 1 1 77 77 LEU CA C 77 57.600 57.600 57.692 -0.092 25493 8285 1 18 . 1 1 77 77 LEU CB C 77 41.800 41.800 41.558 0.242 25493 8286 1 18 . 1 1 77 77 LEU H H 77 7.430 7.430 8.069 -0.639 25493 8287 1 18 . 1 1 78 78 LEU N N 78 117.600 117.600 120.012 -2.412 25493 8288 1 18 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.899 -0.139 25493 8289 1 18 . 1 1 78 78 LEU C C 78 180.300 180.300 179.209 1.091 25493 8290 1 18 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.574 0.526 25493 8291 1 18 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.826 0.374 25493 8292 1 18 . 1 1 78 78 LEU H H 78 7.960 7.960 7.702 0.258 25493 8293 1 18 . 1 1 79 79 ARG N N 79 119.800 119.800 118.135 1.665 25493 8294 1 18 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.947 0.163 25493 8295 1 18 . 1 1 79 79 ARG C C 79 179.500 179.500 177.888 1.612 25493 8296 1 18 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.562 0.638 25493 8297 1 18 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.402 0.298 25493 8298 1 18 . 1 1 79 79 ARG H H 79 8.110 8.110 8.385 -0.275 25493 8299 1 18 . 1 1 80 80 SER N N 80 117.800 117.800 114.723 3.077 25493 8300 1 18 . 1 1 80 80 SER HA H 80 4.310 4.310 4.060 0.250 25493 8301 1 18 . 1 1 80 80 SER C C 80 177.000 177.000 174.997 2.003 25493 8302 1 18 . 1 1 80 80 SER CA C 80 61.500 61.500 59.879 1.621 25493 8303 1 18 . 1 1 80 80 SER CB C 80 62.500 62.500 62.592 -0.092 25493 8304 1 18 . 1 1 80 80 SER H H 80 7.870 7.870 7.197 0.673 25493 8305 1 18 . 1 1 81 81 TRP N N 81 123.300 123.300 117.198 6.102 25493 8306 1 18 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.020 -0.210 25493 8307 1 18 . 1 1 81 81 TRP C C 81 178.200 178.200 176.402 1.798 25493 8308 1 18 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.769 0.731 25493 8309 1 18 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.853 0.347 25493 8310 1 18 . 1 1 81 81 TRP H H 81 8.010 8.010 7.143 0.867 25493 8311 1 18 . 1 1 82 82 GLN N N 82 120.400 120.400 123.143 -2.743 25493 8312 1 18 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.097 -0.017 25493 8313 1 18 . 1 1 82 82 GLN C C 82 177.600 177.600 176.819 0.781 25493 8314 1 18 . 1 1 82 82 GLN CA C 82 59.200 59.200 58.650 0.550 25493 8315 1 18 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.612 -0.412 25493 8316 1 18 . 1 1 82 82 GLN H H 82 8.080 8.080 7.862 0.218 25493 8317 1 18 . 1 1 83 83 LYS N N 83 115.600 115.600 117.617 -2.017 25493 8318 1 18 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.259 -0.039 25493 8319 1 18 . 1 1 83 83 LYS C C 83 177.400 177.400 176.450 0.950 25493 8320 1 18 . 1 1 83 83 LYS CA C 83 57.600 57.600 57.570 0.030 25493 8321 1 18 . 1 1 83 83 LYS CB C 83 32.500 32.500 32.212 0.288 25493 8322 1 18 . 1 1 83 83 LYS H H 83 7.770 7.770 8.285 -0.515 25493 8323 1 18 . 1 1 84 84 LEU N N 84 117.900 117.900 117.666 0.234 25493 8324 1 18 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.541 -0.261 25493 8325 1 18 . 1 1 84 84 LEU C C 84 177.500 177.500 177.438 0.062 25493 8326 1 18 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.017 0.983 25493 8327 1 18 . 1 1 84 84 LEU CB C 84 42.900 42.900 44.098 -1.198 25493 8328 1 18 . 1 1 84 84 LEU H H 84 7.670 7.670 7.921 -0.251 25493 8329 1 18 . 1 1 85 85 ILE N N 85 115.400 115.400 116.381 -0.981 25493 8330 1 18 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.251 -0.121 25493 8331 1 18 . 1 1 85 85 ILE C C 85 175.100 175.100 175.367 -0.267 25493 8332 1 18 . 1 1 85 85 ILE CA C 85 61.400 61.400 60.671 0.729 25493 8333 1 18 . 1 1 85 85 ILE CB C 85 39.600 39.600 39.007 0.593 25493 8334 1 18 . 1 1 85 85 ILE H H 85 7.490 7.490 7.859 -0.369 25493 8335 1 19 . 1 1 7 7 ALA N N 7 123.700 123.700 122.701 0.999 25493 8336 1 19 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.560 -0.140 25493 8337 1 19 . 1 1 7 7 ALA C C 7 176.700 176.700 175.354 1.346 25493 8338 1 19 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.809 -0.209 25493 8339 1 19 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.867 -0.967 25493 8340 1 19 . 1 1 7 7 ALA H H 7 8.040 8.040 7.942 0.098 25493 8341 1 19 . 1 1 8 8 SER N N 8 117.100 117.100 116.418 0.682 25493 8342 1 19 . 1 1 8 8 SER HA H 8 4.750 4.750 4.418 0.332 25493 8343 1 19 . 1 1 8 8 SER CA C 8 56.000 56.000 56.119 -0.119 25493 8344 1 19 . 1 1 8 8 SER CB C 8 63.300 63.300 63.383 -0.083 25493 8345 1 19 . 1 1 8 8 SER H H 8 8.430 8.430 8.293 0.137 25493 8346 1 19 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.890 0.050 25493 8347 1 19 . 1 1 9 9 PRO C C 9 177.400 177.400 178.028 -0.628 25493 8348 1 19 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.408 0.392 25493 8349 1 19 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.700 0.300 25493 8350 1 19 . 1 1 10 10 GLN N N 10 116.000 116.000 116.050 -0.050 25493 8351 1 19 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.011 -0.351 25493 8352 1 19 . 1 1 10 10 GLN C C 10 177.500 177.500 178.207 -0.707 25493 8353 1 19 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.510 0.790 25493 8354 1 19 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.717 -0.217 25493 8355 1 19 . 1 1 10 10 GLN H H 10 8.350 8.350 8.374 -0.024 25493 8356 1 19 . 1 1 11 11 GLN N N 11 119.200 119.200 119.057 0.143 25493 8357 1 19 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.116 -0.036 25493 8358 1 19 . 1 1 11 11 GLN C C 11 179.600 179.600 178.296 1.304 25493 8359 1 19 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.374 0.526 25493 8360 1 19 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.538 0.062 25493 8361 1 19 . 1 1 11 11 GLN H H 11 7.680 7.680 7.543 0.137 25493 8362 1 19 . 1 1 12 12 ILE N N 12 121.300 121.300 114.874 6.426 25493 8363 1 19 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.821 -0.291 25493 8364 1 19 . 1 1 12 12 ILE C C 12 177.200 177.200 177.187 0.013 25493 8365 1 19 . 1 1 12 12 ILE CA C 12 65.300 65.300 64.106 1.194 25493 8366 1 19 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.215 0.185 25493 8367 1 19 . 1 1 12 12 ILE H H 12 8.190 8.190 8.310 -0.120 25493 8368 1 19 . 1 1 13 13 ARG N N 13 120.200 120.200 121.906 -1.706 25493 8369 1 19 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.897 -0.157 25493 8370 1 19 . 1 1 13 13 ARG C C 13 177.700 177.700 177.895 -0.195 25493 8371 1 19 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.961 0.340 25493 8372 1 19 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.936 -1.736 25493 8373 1 19 . 1 1 13 13 ARG H H 13 8.320 8.320 7.784 0.536 25493 8374 1 19 . 1 1 14 14 ASP N N 14 119.200 119.200 117.938 1.262 25493 8375 1 19 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.522 -0.192 25493 8376 1 19 . 1 1 14 14 ASP C C 14 178.800 178.800 176.757 2.043 25493 8377 1 19 . 1 1 14 14 ASP CA C 14 58.000 58.000 56.017 1.984 25493 8378 1 19 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.123 -0.523 25493 8379 1 19 . 1 1 14 14 ASP H H 14 8.280 8.280 7.947 0.333 25493 8380 1 19 . 1 1 15 15 ARG N N 15 120.400 120.400 118.503 1.897 25493 8381 1 19 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.465 -0.495 25493 8382 1 19 . 1 1 15 15 ARG C C 15 179.300 179.300 176.860 2.440 25493 8383 1 19 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.659 2.541 25493 8384 1 19 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.592 -1.592 25493 8385 1 19 . 1 1 15 15 ARG H H 15 7.980 7.980 7.576 0.404 25493 8386 1 19 . 1 1 16 16 LEU N N 16 120.500 120.500 120.073 0.427 25493 8387 1 19 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.372 -0.402 25493 8388 1 19 . 1 1 16 16 LEU C C 16 178.500 178.500 177.916 0.584 25493 8389 1 19 . 1 1 16 16 LEU CA C 16 58.100 58.100 57.830 0.270 25493 8390 1 19 . 1 1 16 16 LEU CB C 16 41.200 41.200 42.761 -1.561 25493 8391 1 19 . 1 1 16 16 LEU H H 16 8.210 8.210 8.323 -0.113 25493 8392 1 19 . 1 1 17 17 LEU N N 17 116.100 116.100 120.015 -3.915 25493 8393 1 19 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.009 -0.009 25493 8394 1 19 . 1 1 17 17 LEU C C 17 179.400 179.400 178.346 1.054 25493 8395 1 19 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.811 -0.211 25493 8396 1 19 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.372 0.328 25493 8397 1 19 . 1 1 17 17 LEU H H 17 8.310 8.310 8.403 -0.093 25493 8398 1 19 . 1 1 18 18 GLN N N 18 114.300 114.300 114.131 0.169 25493 8399 1 19 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.130 0.110 25493 8400 1 19 . 1 1 18 18 GLN C C 18 176.700 176.700 178.042 -1.342 25493 8401 1 19 . 1 1 18 18 GLN CA C 18 57.000 57.000 56.841 0.159 25493 8402 1 19 . 1 1 18 18 GLN CB C 18 28.800 28.800 28.365 0.435 25493 8403 1 19 . 1 1 18 18 GLN H H 18 7.460 7.460 7.753 -0.293 25493 8404 1 19 . 1 1 19 19 ALA N N 19 120.800 120.800 121.359 -0.559 25493 8405 1 19 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.200 0.290 25493 8406 1 19 . 1 1 19 19 ALA C C 19 176.000 176.000 177.965 -1.965 25493 8407 1 19 . 1 1 19 19 ALA CA C 19 52.600 52.600 54.027 -1.427 25493 8408 1 19 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.102 2.998 25493 8409 1 19 . 1 1 19 19 ALA H H 19 7.770 7.770 7.297 0.473 25493 8410 1 19 . 1 1 20 20 ILE N N 20 113.500 113.500 112.438 1.062 25493 8411 1 19 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.637 0.563 25493 8412 1 19 . 1 1 20 20 ILE C C 20 173.600 173.600 174.399 -0.799 25493 8413 1 19 . 1 1 20 20 ILE CA C 20 59.200 59.200 59.032 0.168 25493 8414 1 19 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.778 2.022 25493 8415 1 19 . 1 1 20 20 ILE H H 20 7.360 7.360 7.435 -0.075 25493 8416 1 19 . 1 1 21 21 ASP N N 21 122.500 122.500 118.818 3.682 25493 8417 1 19 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.094 -0.114 25493 8418 1 19 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.775 0.325 25493 8419 1 19 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.306 -0.106 25493 8420 1 19 . 1 1 21 21 ASP H H 21 8.530 8.530 8.408 0.122 25493 8421 1 19 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.334 0.116 25493 8422 1 19 . 1 1 22 22 PRO C C 22 177.500 177.500 176.979 0.521 25493 8423 1 19 . 1 1 22 22 PRO CA C 22 65.200 65.200 63.775 1.425 25493 8424 1 19 . 1 1 22 22 PRO CB C 22 31.900 31.900 32.088 -0.188 25493 8425 1 19 . 1 1 23 23 GLN N N 23 115.900 115.900 119.065 -3.165 25493 8426 1 19 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.163 0.257 25493 8427 1 19 . 1 1 23 23 GLN C C 23 174.800 174.800 176.068 -1.268 25493 8428 1 19 . 1 1 23 23 GLN CA C 23 55.400 55.400 57.754 -2.354 25493 8429 1 19 . 1 1 23 23 GLN CB C 23 28.700 28.700 29.321 -0.621 25493 8430 1 19 . 1 1 23 23 GLN H H 23 7.950 7.950 7.927 0.023 25493 8431 1 19 . 1 1 24 24 SER N N 24 107.900 107.900 107.673 0.227 25493 8432 1 19 . 1 1 24 24 SER HA H 24 3.730 3.730 4.589 -0.859 25493 8433 1 19 . 1 1 24 24 SER C C 24 173.200 173.200 174.020 -0.820 25493 8434 1 19 . 1 1 24 24 SER CA C 24 60.300 60.300 57.472 2.828 25493 8435 1 19 . 1 1 24 24 SER CB C 24 60.300 60.300 64.405 -4.105 25493 8436 1 19 . 1 1 24 24 SER H H 24 8.270 8.270 8.049 0.221 25493 8437 1 19 . 1 1 25 25 ASN N N 25 117.000 117.000 122.172 -5.172 25493 8438 1 19 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.732 -0.202 25493 8439 1 19 . 1 1 25 25 ASN C C 25 175.600 175.600 174.998 0.602 25493 8440 1 19 . 1 1 25 25 ASN CA C 25 52.800 52.800 53.507 -0.707 25493 8441 1 19 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.131 -0.631 25493 8442 1 19 . 1 1 25 25 ASN H H 25 8.500 8.500 7.605 0.895 25493 8443 1 19 . 1 1 26 26 ILE N N 26 122.400 122.400 118.672 3.728 25493 8444 1 19 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.165 -0.345 25493 8445 1 19 . 1 1 26 26 ILE C C 26 176.400 176.400 176.848 -0.448 25493 8446 1 19 . 1 1 26 26 ILE CA C 26 63.600 63.600 61.085 2.515 25493 8447 1 19 . 1 1 26 26 ILE CB C 26 38.600 38.600 38.688 -0.089 25493 8448 1 19 . 1 1 26 26 ILE H H 26 8.890 8.890 8.501 0.389 25493 8449 1 19 . 1 1 27 27 ARG N N 27 127.600 127.600 117.576 10.024 25493 8450 1 19 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.871 0.659 25493 8451 1 19 . 1 1 27 27 ARG C C 27 176.000 176.000 176.280 -0.280 25493 8452 1 19 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.971 -2.471 25493 8453 1 19 . 1 1 27 27 ARG CB C 27 31.400 31.400 29.054 2.346 25493 8454 1 19 . 1 1 27 27 ARG H H 27 9.070 9.070 8.462 0.608 25493 8455 1 19 . 1 1 28 28 ASN N N 28 117.300 117.300 118.546 -1.246 25493 8456 1 19 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.959 -0.029 25493 8457 1 19 . 1 1 28 28 ASN C C 28 174.300 174.300 175.095 -0.795 25493 8458 1 19 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.867 -0.267 25493 8459 1 19 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.680 0.320 25493 8460 1 19 . 1 1 28 28 ASN H H 28 7.510 7.510 8.341 -0.831 25493 8461 1 19 . 1 1 29 29 MET N N 29 125.700 125.700 124.126 1.574 25493 8462 1 19 . 1 1 29 29 MET HA H 29 4.190 4.190 4.190 0.000 25493 8463 1 19 . 1 1 29 29 MET C C 29 177.300 177.300 176.559 0.741 25493 8464 1 19 . 1 1 29 29 MET CA C 29 57.600 57.600 58.885 -1.285 25493 8465 1 19 . 1 1 29 29 MET CB C 29 31.400 31.400 32.861 -1.461 25493 8466 1 19 . 1 1 29 29 MET H H 29 8.940 8.940 8.600 0.340 25493 8467 1 19 . 1 1 30 30 VAL N N 30 118.600 118.600 114.034 4.566 25493 8468 1 19 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.882 -0.362 25493 8469 1 19 . 1 1 30 30 VAL C C 30 178.800 178.800 176.149 2.651 25493 8470 1 19 . 1 1 30 30 VAL CA C 30 66.900 66.900 63.947 2.953 25493 8471 1 19 . 1 1 30 30 VAL CB C 30 31.500 31.500 30.421 1.079 25493 8472 1 19 . 1 1 30 30 VAL H H 30 7.910 7.910 7.902 0.008 25493 8473 1 19 . 1 1 31 31 ALA N N 31 120.600 120.600 121.776 -1.176 25493 8474 1 19 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.417 -0.287 25493 8475 1 19 . 1 1 31 31 ALA C C 31 180.300 180.300 178.945 1.355 25493 8476 1 19 . 1 1 31 31 ALA CA C 31 54.300 54.300 53.959 0.341 25493 8477 1 19 . 1 1 31 31 ALA CB C 31 18.900 18.900 20.112 -1.212 25493 8478 1 19 . 1 1 31 31 ALA H H 31 7.270 7.270 7.761 -0.491 25493 8479 1 19 . 1 1 32 32 VAL N N 32 117.900 117.900 118.486 -0.586 25493 8480 1 19 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.859 -0.479 25493 8481 1 19 . 1 1 32 32 VAL C C 32 177.700 177.700 176.884 0.816 25493 8482 1 19 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.483 3.217 25493 8483 1 19 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.045 -1.145 25493 8484 1 19 . 1 1 32 32 VAL H H 32 7.640 7.640 7.350 0.290 25493 8485 1 19 . 1 1 33 33 LEU N N 33 119.900 119.900 119.824 0.076 25493 8486 1 19 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.263 -0.353 25493 8487 1 19 . 1 1 33 33 LEU C C 33 179.900 179.900 178.377 1.523 25493 8488 1 19 . 1 1 33 33 LEU CA C 33 58.300 58.300 57.198 1.102 25493 8489 1 19 . 1 1 33 33 LEU CB C 33 40.700 40.700 42.205 -1.505 25493 8490 1 19 . 1 1 33 33 LEU H H 33 8.450 8.450 8.440 0.011 25493 8491 1 19 . 1 1 34 34 GLU N N 34 121.200 121.200 119.168 2.032 25493 8492 1 19 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.130 -0.070 25493 8493 1 19 . 1 1 34 34 GLU C C 34 179.800 179.800 179.104 0.696 25493 8494 1 19 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.127 0.673 25493 8495 1 19 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.288 0.012 25493 8496 1 19 . 1 1 34 34 GLU H H 34 8.080 8.080 8.191 -0.111 25493 8497 1 19 . 1 1 35 35 VAL N N 35 122.400 122.400 120.474 1.926 25493 8498 1 19 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.805 -0.205 25493 8499 1 19 . 1 1 35 35 VAL C C 35 177.900 177.900 176.880 1.020 25493 8500 1 19 . 1 1 35 35 VAL CA C 35 67.100 67.100 65.686 1.414 25493 8501 1 19 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.521 -0.621 25493 8502 1 19 . 1 1 35 35 VAL H H 35 8.060 8.060 7.396 0.664 25493 8503 1 19 . 1 1 36 36 ILE N N 36 119.800 119.800 118.484 1.316 25493 8504 1 19 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.883 -0.323 25493 8505 1 19 . 1 1 36 36 ILE C C 36 177.500 177.500 178.290 -0.790 25493 8506 1 19 . 1 1 36 36 ILE CA C 36 64.200 64.200 64.485 -0.285 25493 8507 1 19 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.591 -0.291 25493 8508 1 19 . 1 1 36 36 ILE H H 36 8.420 8.420 7.288 1.132 25493 8509 1 19 . 1 1 37 37 SER N N 37 114.700 114.700 114.330 0.370 25493 8510 1 19 . 1 1 37 37 SER HA H 37 4.290 4.290 4.325 -0.035 25493 8511 1 19 . 1 1 37 37 SER C C 37 177.300 177.300 175.320 1.980 25493 8512 1 19 . 1 1 37 37 SER CA C 37 61.900 61.900 60.221 1.679 25493 8513 1 19 . 1 1 37 37 SER CB C 37 63.100 63.100 62.715 0.385 25493 8514 1 19 . 1 1 37 37 SER H H 37 8.430 8.430 7.851 0.579 25493 8515 1 19 . 1 1 38 38 SER N N 38 117.200 117.200 117.280 -0.080 25493 8516 1 19 . 1 1 38 38 SER HA H 38 4.290 4.290 4.552 -0.262 25493 8517 1 19 . 1 1 38 38 SER C C 38 176.700 176.700 176.655 0.045 25493 8518 1 19 . 1 1 38 38 SER CA C 38 62.500 62.500 60.228 2.272 25493 8519 1 19 . 1 1 38 38 SER CB C 38 63.100 63.100 64.453 -1.353 25493 8520 1 19 . 1 1 38 38 SER H H 38 8.200 8.200 7.796 0.404 25493 8521 1 19 . 1 1 39 39 LEU N N 39 121.600 121.600 124.075 -2.475 25493 8522 1 19 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.128 0.242 25493 8523 1 19 . 1 1 39 39 LEU C C 39 178.700 178.700 179.249 -0.549 25493 8524 1 19 . 1 1 39 39 LEU CA C 39 57.100 57.100 58.200 -1.099 25493 8525 1 19 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.152 1.648 25493 8526 1 19 . 1 1 39 39 LEU H H 39 8.150 8.150 8.805 -0.655 25493 8527 1 19 . 1 1 40 40 GLU N N 40 118.600 118.600 118.581 0.019 25493 8528 1 19 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.224 -0.324 25493 8529 1 19 . 1 1 40 40 GLU C C 40 178.100 178.100 177.327 0.773 25493 8530 1 19 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.851 -0.151 25493 8531 1 19 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.729 0.571 25493 8532 1 19 . 1 1 40 40 GLU H H 40 8.190 8.190 8.365 -0.175 25493 8533 1 19 . 1 1 41 41 LYS N N 41 116.300 116.300 114.147 2.153 25493 8534 1 19 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.511 -0.281 25493 8535 1 19 . 1 1 41 41 LYS C C 41 175.800 175.800 175.515 0.285 25493 8536 1 19 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.850 0.750 25493 8537 1 19 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.361 0.239 25493 8538 1 19 . 1 1 41 41 LYS H H 41 7.440 7.440 7.777 -0.337 25493 8539 1 19 . 1 1 42 42 TYR N N 42 121.400 121.400 124.360 -2.960 25493 8540 1 19 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.814 0.046 25493 8541 1 19 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.364 0.036 25493 8542 1 19 . 1 1 42 42 TYR CB C 42 39.600 39.600 40.230 -0.630 25493 8543 1 19 . 1 1 42 42 TYR H H 42 7.730 7.730 7.883 -0.153 25493 8544 1 19 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.619 0.141 25493 8545 1 19 . 1 1 43 43 PRO C C 43 175.800 175.800 175.516 0.284 25493 8546 1 19 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.515 -0.015 25493 8547 1 19 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.978 -0.678 25493 8548 1 19 . 1 1 44 44 ILE N N 44 124.000 124.000 124.955 -0.955 25493 8549 1 19 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.145 0.325 25493 8550 1 19 . 1 1 44 44 ILE C C 44 174.300 174.300 176.083 -1.783 25493 8551 1 19 . 1 1 44 44 ILE CA C 44 60.300 60.300 60.881 -0.581 25493 8552 1 19 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.941 2.759 25493 8553 1 19 . 1 1 44 44 ILE H H 44 8.200 8.200 7.877 0.323 25493 8554 1 19 . 1 1 45 45 THR N N 45 112.200 112.200 117.047 -4.847 25493 8555 1 19 . 1 1 45 45 THR HA H 45 4.530 4.530 4.751 -0.221 25493 8556 1 19 . 1 1 45 45 THR C C 45 175.100 175.100 175.062 0.038 25493 8557 1 19 . 1 1 45 45 THR CA C 45 59.800 59.800 60.076 -0.276 25493 8558 1 19 . 1 1 45 45 THR CB C 45 72.300 72.300 71.162 1.138 25493 8559 1 19 . 1 1 45 45 THR H H 45 7.330 7.330 7.866 -0.536 25493 8560 1 19 . 1 1 46 46 LYS N N 46 121.500 121.500 123.735 -2.235 25493 8561 1 19 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.853 -0.113 25493 8562 1 19 . 1 1 46 46 LYS C C 46 178.200 178.200 178.577 -0.377 25493 8563 1 19 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.554 0.446 25493 8564 1 19 . 1 1 46 46 LYS CB C 46 32.500 32.500 32.004 0.496 25493 8565 1 19 . 1 1 46 46 LYS H H 46 9.090 9.090 8.750 0.340 25493 8566 1 19 . 1 1 47 47 GLU N N 47 118.400 118.400 119.114 -0.714 25493 8567 1 19 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.037 -0.017 25493 8568 1 19 . 1 1 47 47 GLU C C 47 179.000 179.000 178.227 0.773 25493 8569 1 19 . 1 1 47 47 GLU CA C 47 60.800 60.800 59.685 1.115 25493 8570 1 19 . 1 1 47 47 GLU CB C 47 28.700 28.700 28.774 -0.074 25493 8571 1 19 . 1 1 47 47 GLU H H 47 9.010 9.010 8.741 0.269 25493 8572 1 19 . 1 1 48 48 ALA N N 48 122.300 122.300 119.990 2.310 25493 8573 1 19 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.154 0.116 25493 8574 1 19 . 1 1 48 48 ALA C C 48 181.900 181.900 179.166 2.734 25493 8575 1 19 . 1 1 48 48 ALA CA C 48 54.900 54.900 54.036 0.864 25493 8576 1 19 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.460 -0.660 25493 8577 1 19 . 1 1 48 48 ALA H H 48 7.860 7.860 7.583 0.277 25493 8578 1 19 . 1 1 49 49 LEU N N 49 122.200 122.200 121.803 0.397 25493 8579 1 19 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.074 -0.494 25493 8580 1 19 . 1 1 49 49 LEU C C 49 179.800 179.800 178.380 1.420 25493 8581 1 19 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.467 1.233 25493 8582 1 19 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.433 -0.133 25493 8583 1 19 . 1 1 49 49 LEU H H 49 8.260 8.260 8.172 0.088 25493 8584 1 19 . 1 1 50 50 GLU N N 50 120.400 120.400 115.438 4.962 25493 8585 1 19 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.044 -0.004 25493 8586 1 19 . 1 1 50 50 GLU C C 50 178.900 178.900 177.748 1.152 25493 8587 1 19 . 1 1 50 50 GLU CA C 50 59.200 59.200 58.513 0.688 25493 8588 1 19 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.353 -0.153 25493 8589 1 19 . 1 1 50 50 GLU H H 50 8.120 8.120 8.428 -0.308 25493 8590 1 19 . 1 1 51 51 GLU N N 51 118.500 118.500 118.086 0.414 25493 8591 1 19 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.378 -0.328 25493 8592 1 19 . 1 1 51 51 GLU C C 51 178.800 178.800 177.403 1.397 25493 8593 1 19 . 1 1 51 51 GLU CA C 51 59.200 59.200 57.111 2.089 25493 8594 1 19 . 1 1 51 51 GLU CB C 51 30.300 30.300 30.834 -0.534 25493 8595 1 19 . 1 1 51 51 GLU H H 51 8.200 8.200 7.694 0.506 25493 8596 1 19 . 1 1 52 52 THR N N 52 104.700 104.700 109.122 -4.422 25493 8597 1 19 . 1 1 52 52 THR HA H 52 4.090 4.090 4.583 -0.493 25493 8598 1 19 . 1 1 52 52 THR C C 52 175.400 175.400 174.759 0.641 25493 8599 1 19 . 1 1 52 52 THR CA C 52 63.100 63.100 61.275 1.825 25493 8600 1 19 . 1 1 52 52 THR CB C 52 71.800 71.800 69.498 2.302 25493 8601 1 19 . 1 1 52 52 THR H H 52 7.840 7.840 7.990 -0.150 25493 8602 1 19 . 1 1 53 53 ARG N N 53 114.400 114.400 118.237 -3.837 25493 8603 1 19 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.852 0.258 25493 8604 1 19 . 1 1 53 53 ARG C C 53 177.200 177.200 176.120 1.080 25493 8605 1 19 . 1 1 53 53 ARG CA C 53 57.300 57.300 57.872 -0.572 25493 8606 1 19 . 1 1 53 53 ARG CB C 53 27.500 27.500 28.032 -0.532 25493 8607 1 19 . 1 1 53 53 ARG H H 53 7.680 7.680 8.102 -0.422 25493 8608 1 19 . 1 1 54 54 LEU N N 54 117.200 117.200 118.327 -1.127 25493 8609 1 19 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.165 -0.355 25493 8610 1 19 . 1 1 54 54 LEU C C 54 178.200 178.200 177.431 0.769 25493 8611 1 19 . 1 1 54 54 LEU CA C 54 58.700 58.700 56.790 1.910 25493 8612 1 19 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.409 1.991 25493 8613 1 19 . 1 1 54 54 LEU H H 54 7.460 7.460 8.026 -0.566 25493 8614 1 19 . 1 1 55 55 GLY N N 55 105.900 105.900 105.338 0.562 25493 8615 1 19 . 1 1 55 55 GLY C C 55 175.500 175.500 175.100 0.400 25493 8616 1 19 . 1 1 55 55 GLY CA C 55 47.200 47.200 45.887 1.313 25493 8617 1 19 . 1 1 55 55 GLY H H 55 8.650 8.650 7.949 0.701 25493 8618 1 19 . 1 1 56 56 LYS N N 56 123.300 123.300 122.575 0.725 25493 8619 1 19 . 1 1 56 56 LYS HA H 56 4.110 4.110 3.960 0.150 25493 8620 1 19 . 1 1 56 56 LYS C C 56 178.300 178.300 178.720 -0.420 25493 8621 1 19 . 1 1 56 56 LYS CA C 56 59.200 59.200 59.468 -0.268 25493 8622 1 19 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.232 0.268 25493 8623 1 19 . 1 1 56 56 LYS H H 56 7.210 7.210 8.077 -0.867 25493 8624 1 19 . 1 1 57 57 LEU N N 57 117.700 117.700 120.152 -2.452 25493 8625 1 19 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.140 0.040 25493 8626 1 19 . 1 1 57 57 LEU C C 57 179.600 179.600 178.077 1.523 25493 8627 1 19 . 1 1 57 57 LEU CA C 57 57.700 57.700 58.135 -0.435 25493 8628 1 19 . 1 1 57 57 LEU CB C 57 43.400 43.400 42.199 1.201 25493 8629 1 19 . 1 1 57 57 LEU H H 57 7.900 7.900 8.380 -0.480 25493 8630 1 19 . 1 1 58 58 ILE N N 58 116.600 116.600 118.940 -2.340 25493 8631 1 19 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.788 -0.108 25493 8632 1 19 . 1 1 58 58 ILE C C 58 177.900 177.900 178.549 -0.649 25493 8633 1 19 . 1 1 58 58 ILE CA C 58 63.100 63.100 63.957 -0.857 25493 8634 1 19 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.739 -0.939 25493 8635 1 19 . 1 1 58 58 ILE H H 58 8.640 8.640 7.369 1.271 25493 8636 1 19 . 1 1 59 59 ASN N N 59 119.600 119.600 118.684 0.916 25493 8637 1 19 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.438 -0.068 25493 8638 1 19 . 1 1 59 59 ASN C C 59 176.700 176.700 176.003 0.697 25493 8639 1 19 . 1 1 59 59 ASN CA C 59 57.000 57.000 56.423 0.577 25493 8640 1 19 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.495 0.005 25493 8641 1 19 . 1 1 59 59 ASN H H 59 8.120 8.120 8.423 -0.303 25493 8642 1 19 . 1 1 60 60 ASP N N 60 119.600 119.600 118.013 1.587 25493 8643 1 19 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.633 -0.253 25493 8644 1 19 . 1 1 60 60 ASP C C 60 179.400 179.400 178.564 0.836 25493 8645 1 19 . 1 1 60 60 ASP CA C 60 57.600 57.600 55.748 1.852 25493 8646 1 19 . 1 1 60 60 ASP CB C 60 39.600 39.600 41.197 -1.597 25493 8647 1 19 . 1 1 60 60 ASP H H 60 8.490 8.490 7.419 1.071 25493 8648 1 19 . 1 1 61 61 VAL N N 61 118.700 118.700 122.876 -4.176 25493 8649 1 19 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.987 -0.237 25493 8650 1 19 . 1 1 61 61 VAL C C 61 179.000 179.000 176.847 2.153 25493 8651 1 19 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.206 0.594 25493 8652 1 19 . 1 1 61 61 VAL CB C 61 32.500 32.500 31.680 0.820 25493 8653 1 19 . 1 1 61 61 VAL H H 61 7.930 7.930 8.247 -0.317 25493 8654 1 19 . 1 1 62 62 ARG N N 62 120.900 120.900 117.685 3.215 25493 8655 1 19 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.131 -0.481 25493 8656 1 19 . 1 1 62 62 ARG C C 62 177.100 177.100 177.050 0.050 25493 8657 1 19 . 1 1 62 62 ARG CA C 62 59.200 59.200 57.988 1.212 25493 8658 1 19 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.836 -0.036 25493 8659 1 19 . 1 1 62 62 ARG H H 62 8.620 8.620 7.626 0.994 25493 8660 1 19 . 1 1 63 63 LYS N N 63 115.700 115.700 117.464 -1.764 25493 8661 1 19 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.367 -0.437 25493 8662 1 19 . 1 1 63 63 LYS C C 63 177.600 177.600 177.449 0.151 25493 8663 1 19 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.266 1.934 25493 8664 1 19 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.355 0.645 25493 8665 1 19 . 1 1 63 63 LYS H H 63 7.940 7.940 7.615 0.325 25493 8666 1 19 . 1 1 64 64 LYS N N 64 115.300 115.300 119.620 -4.320 25493 8667 1 19 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.283 0.147 25493 8668 1 19 . 1 1 64 64 LYS C C 64 176.900 176.900 177.835 -0.935 25493 8669 1 19 . 1 1 64 64 LYS CA C 64 55.400 55.400 58.251 -2.851 25493 8670 1 19 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.486 0.614 25493 8671 1 19 . 1 1 64 64 LYS H H 64 7.130 7.130 7.737 -0.607 25493 8672 1 19 . 1 1 65 65 THR N N 65 113.500 113.500 112.246 1.254 25493 8673 1 19 . 1 1 65 65 THR HA H 65 4.520 4.520 4.375 0.145 25493 8674 1 19 . 1 1 65 65 THR C C 65 173.200 173.200 174.296 -1.096 25493 8675 1 19 . 1 1 65 65 THR CA C 65 62.000 62.000 62.602 -0.602 25493 8676 1 19 . 1 1 65 65 THR CB C 65 69.600 69.600 69.935 -0.335 25493 8677 1 19 . 1 1 65 65 THR H H 65 7.250 7.250 7.632 -0.382 25493 8678 1 19 . 1 1 66 66 LYS N N 66 125.700 125.700 121.256 4.444 25493 8679 1 19 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.088 0.422 25493 8680 1 19 . 1 1 66 66 LYS C C 66 175.900 175.900 175.178 0.722 25493 8681 1 19 . 1 1 66 66 LYS CA C 66 55.400 55.400 56.807 -1.407 25493 8682 1 19 . 1 1 66 66 LYS CB C 66 32.000 32.000 32.126 -0.126 25493 8683 1 19 . 1 1 66 66 LYS H H 66 8.500 8.500 8.345 0.155 25493 8684 1 19 . 1 1 67 67 ASN N N 67 122.100 122.100 121.314 0.786 25493 8685 1 19 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.637 0.053 25493 8686 1 19 . 1 1 67 67 ASN C C 67 174.400 174.400 176.498 -2.098 25493 8687 1 19 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.120 0.081 25493 8688 1 19 . 1 1 67 67 ASN CB C 67 39.000 39.000 39.319 -0.319 25493 8689 1 19 . 1 1 67 67 ASN H H 67 8.570 8.570 8.402 0.168 25493 8690 1 19 . 1 1 68 68 GLU N N 68 128.400 128.400 121.256 7.144 25493 8691 1 19 . 1 1 68 68 GLU HA H 68 3.990 3.990 4.110 -0.120 25493 8692 1 19 . 1 1 68 68 GLU C C 68 178.500 178.500 176.566 1.934 25493 8693 1 19 . 1 1 68 68 GLU CA C 68 59.300 59.300 58.749 0.551 25493 8694 1 19 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.733 0.067 25493 8695 1 19 . 1 1 68 68 GLU H H 68 8.850 8.850 9.028 -0.178 25493 8696 1 19 . 1 1 69 69 GLU N N 69 120.300 120.300 118.193 2.107 25493 8697 1 19 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.417 -0.387 25493 8698 1 19 . 1 1 69 69 GLU C C 69 179.000 179.000 177.163 1.837 25493 8699 1 19 . 1 1 69 69 GLU CA C 69 59.200 59.200 56.525 2.675 25493 8700 1 19 . 1 1 69 69 GLU CB C 69 29.200 29.200 30.706 -1.506 25493 8701 1 19 . 1 1 69 69 GLU H H 69 8.190 8.190 8.453 -0.263 25493 8702 1 19 . 1 1 70 70 LEU N N 70 121.300 121.300 121.954 -0.654 25493 8703 1 19 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.079 -0.209 25493 8704 1 19 . 1 1 70 70 LEU C C 70 178.500 178.500 177.676 0.824 25493 8705 1 19 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.236 0.964 25493 8706 1 19 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.791 -1.091 25493 8707 1 19 . 1 1 70 70 LEU H H 70 8.120 8.120 8.501 -0.381 25493 8708 1 19 . 1 1 71 71 ALA N N 71 121.000 121.000 121.112 -0.112 25493 8709 1 19 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.936 -0.196 25493 8710 1 19 . 1 1 71 71 ALA C C 71 180.100 180.100 178.572 1.528 25493 8711 1 19 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.180 1.320 25493 8712 1 19 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.247 -0.547 25493 8713 1 19 . 1 1 71 71 ALA H H 71 8.330 8.330 8.348 -0.018 25493 8714 1 19 . 1 1 72 72 LYS N N 72 118.200 118.200 117.977 0.223 25493 8715 1 19 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.211 -0.251 25493 8716 1 19 . 1 1 72 72 LYS C C 72 179.800 179.800 178.339 1.461 25493 8717 1 19 . 1 1 72 72 LYS CA C 72 59.800 59.800 58.544 1.256 25493 8718 1 19 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.221 0.279 25493 8719 1 19 . 1 1 72 72 LYS H H 72 8.150 8.150 7.640 0.510 25493 8720 1 19 . 1 1 73 73 ARG N N 73 120.600 120.600 120.467 0.133 25493 8721 1 19 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.014 -0.024 25493 8722 1 19 . 1 1 73 73 ARG C C 73 180.100 180.100 178.158 1.942 25493 8723 1 19 . 1 1 73 73 ARG CA C 73 59.300 59.300 59.412 -0.112 25493 8724 1 19 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.281 1.719 25493 8725 1 19 . 1 1 73 73 ARG H H 73 8.140 8.140 8.544 -0.404 25493 8726 1 19 . 1 1 74 74 ALA N N 74 121.700 121.700 121.593 0.107 25493 8727 1 19 . 1 1 74 74 ALA HA H 74 3.780 3.780 3.997 -0.217 25493 8728 1 19 . 1 1 74 74 ALA C C 74 178.100 178.100 178.976 -0.876 25493 8729 1 19 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.581 -0.680 25493 8730 1 19 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.345 -1.145 25493 8731 1 19 . 1 1 74 74 ALA H H 74 8.970 8.970 8.049 0.921 25493 8732 1 19 . 1 1 75 75 LYS N N 75 117.900 117.900 117.955 -0.055 25493 8733 1 19 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.064 -0.324 25493 8734 1 19 . 1 1 75 75 LYS C C 75 178.300 178.300 178.964 -0.664 25493 8735 1 19 . 1 1 75 75 LYS CA C 75 60.300 60.300 58.878 1.422 25493 8736 1 19 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.244 0.256 25493 8737 1 19 . 1 1 75 75 LYS H H 75 8.200 8.200 7.781 0.419 25493 8738 1 19 . 1 1 76 76 LYS N N 76 118.800 118.800 119.418 -0.618 25493 8739 1 19 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.007 -0.117 25493 8740 1 19 . 1 1 76 76 LYS C C 76 179.200 179.200 177.968 1.232 25493 8741 1 19 . 1 1 76 76 LYS CA C 76 59.800 59.800 58.912 0.888 25493 8742 1 19 . 1 1 76 76 LYS CB C 76 32.400 32.400 32.453 -0.053 25493 8743 1 19 . 1 1 76 76 LYS H H 76 7.630 7.630 7.656 -0.026 25493 8744 1 19 . 1 1 77 77 LEU N N 77 121.400 121.400 118.353 3.047 25493 8745 1 19 . 1 1 77 77 LEU HA H 77 3.630 3.630 3.824 -0.194 25493 8746 1 19 . 1 1 77 77 LEU C C 77 178.200 178.200 178.690 -0.490 25493 8747 1 19 . 1 1 77 77 LEU CA C 77 57.600 57.600 57.033 0.567 25493 8748 1 19 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.501 -0.701 25493 8749 1 19 . 1 1 77 77 LEU H H 77 7.430 7.430 7.558 -0.128 25493 8750 1 19 . 1 1 78 78 LEU N N 78 117.600 117.600 120.195 -2.595 25493 8751 1 19 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.628 0.132 25493 8752 1 19 . 1 1 78 78 LEU C C 78 180.300 180.300 178.464 1.836 25493 8753 1 19 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.874 0.226 25493 8754 1 19 . 1 1 78 78 LEU CB C 78 41.200 41.200 41.549 -0.349 25493 8755 1 19 . 1 1 78 78 LEU H H 78 7.960 7.960 8.293 -0.333 25493 8756 1 19 . 1 1 79 79 ARG N N 79 119.800 119.800 117.277 2.523 25493 8757 1 19 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.907 0.203 25493 8758 1 19 . 1 1 79 79 ARG C C 79 179.500 179.500 178.331 1.169 25493 8759 1 19 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.481 0.719 25493 8760 1 19 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.549 0.151 25493 8761 1 19 . 1 1 79 79 ARG H H 79 8.110 8.110 7.777 0.333 25493 8762 1 19 . 1 1 80 80 SER N N 80 117.800 117.800 114.951 2.849 25493 8763 1 19 . 1 1 80 80 SER HA H 80 4.310 4.310 4.196 0.114 25493 8764 1 19 . 1 1 80 80 SER C C 80 177.000 177.000 174.909 2.091 25493 8765 1 19 . 1 1 80 80 SER CA C 80 61.500 61.500 60.041 1.460 25493 8766 1 19 . 1 1 80 80 SER CB C 80 62.500 62.500 63.260 -0.759 25493 8767 1 19 . 1 1 80 80 SER H H 80 7.870 7.870 7.482 0.388 25493 8768 1 19 . 1 1 81 81 TRP N N 81 123.300 123.300 117.587 5.713 25493 8769 1 19 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.012 -0.202 25493 8770 1 19 . 1 1 81 81 TRP C C 81 178.200 178.200 176.505 1.695 25493 8771 1 19 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.808 0.692 25493 8772 1 19 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.784 0.416 25493 8773 1 19 . 1 1 81 81 TRP H H 81 8.010 8.010 7.048 0.962 25493 8774 1 19 . 1 1 82 82 GLN N N 82 120.400 120.400 122.370 -1.970 25493 8775 1 19 . 1 1 82 82 GLN HA H 82 4.080 4.080 3.934 0.146 25493 8776 1 19 . 1 1 82 82 GLN C C 82 177.600 177.600 177.576 0.024 25493 8777 1 19 . 1 1 82 82 GLN CA C 82 59.200 59.200 59.908 -0.708 25493 8778 1 19 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.440 -0.240 25493 8779 1 19 . 1 1 82 82 GLN H H 82 8.080 8.080 8.121 -0.041 25493 8780 1 19 . 1 1 83 83 LYS N N 83 115.600 115.600 118.178 -2.578 25493 8781 1 19 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.106 0.114 25493 8782 1 19 . 1 1 83 83 LYS C C 83 177.400 177.400 177.565 -0.165 25493 8783 1 19 . 1 1 83 83 LYS CA C 83 57.600 57.600 58.844 -1.244 25493 8784 1 19 . 1 1 83 83 LYS CB C 83 32.500 32.500 32.014 0.486 25493 8785 1 19 . 1 1 83 83 LYS H H 83 7.770 7.770 8.425 -0.655 25493 8786 1 19 . 1 1 84 84 LEU N N 84 117.900 117.900 118.470 -0.570 25493 8787 1 19 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.441 -0.161 25493 8788 1 19 . 1 1 84 84 LEU C C 84 177.500 177.500 178.511 -1.011 25493 8789 1 19 . 1 1 84 84 LEU CA C 84 56.000 56.000 56.155 -0.155 25493 8790 1 19 . 1 1 84 84 LEU CB C 84 42.900 42.900 43.474 -0.574 25493 8791 1 19 . 1 1 84 84 LEU H H 84 7.670 7.670 7.843 -0.173 25493 8792 1 19 . 1 1 85 85 ILE N N 85 115.400 115.400 112.898 2.502 25493 8793 1 19 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.282 -0.152 25493 8794 1 19 . 1 1 85 85 ILE C C 85 175.100 175.100 176.401 -1.301 25493 8795 1 19 . 1 1 85 85 ILE CA C 85 61.400 61.400 62.500 -1.100 25493 8796 1 19 . 1 1 85 85 ILE CB C 85 39.600 39.600 38.771 0.829 25493 8797 1 19 . 1 1 85 85 ILE H H 85 7.490 7.490 8.088 -0.598 25493 8798 1 20 . 1 1 7 7 ALA N N 7 123.700 123.700 122.427 1.273 25493 8799 1 20 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.441 -0.021 25493 8800 1 20 . 1 1 7 7 ALA C C 7 176.700 176.700 175.082 1.618 25493 8801 1 20 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.846 -0.247 25493 8802 1 20 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.468 -0.568 25493 8803 1 20 . 1 1 7 7 ALA H H 7 8.040 8.040 7.825 0.215 25493 8804 1 20 . 1 1 8 8 SER N N 8 117.100 117.100 116.364 0.736 25493 8805 1 20 . 1 1 8 8 SER HA H 8 4.750 4.750 4.282 0.468 25493 8806 1 20 . 1 1 8 8 SER CA C 8 56.000 56.000 56.435 -0.435 25493 8807 1 20 . 1 1 8 8 SER CB C 8 63.300 63.300 63.557 -0.257 25493 8808 1 20 . 1 1 8 8 SER H H 8 8.430 8.430 8.271 0.159 25493 8809 1 20 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.914 0.026 25493 8810 1 20 . 1 1 9 9 PRO C C 9 177.400 177.400 177.669 -0.269 25493 8811 1 20 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.226 0.574 25493 8812 1 20 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.783 0.217 25493 8813 1 20 . 1 1 10 10 GLN N N 10 116.000 116.000 116.463 -0.463 25493 8814 1 20 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.068 -0.408 25493 8815 1 20 . 1 1 10 10 GLN C C 10 177.500 177.500 178.328 -0.828 25493 8816 1 20 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.525 0.775 25493 8817 1 20 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.275 0.225 25493 8818 1 20 . 1 1 10 10 GLN H H 10 8.350 8.350 8.197 0.153 25493 8819 1 20 . 1 1 11 11 GLN N N 11 119.200 119.200 119.625 -0.425 25493 8820 1 20 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.165 -0.085 25493 8821 1 20 . 1 1 11 11 GLN C C 11 179.600 179.600 178.258 1.342 25493 8822 1 20 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.321 0.579 25493 8823 1 20 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.624 -0.024 25493 8824 1 20 . 1 1 11 11 GLN H H 11 7.680 7.680 7.772 -0.092 25493 8825 1 20 . 1 1 12 12 ILE N N 12 121.300 121.300 116.116 5.184 25493 8826 1 20 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.881 -0.351 25493 8827 1 20 . 1 1 12 12 ILE C C 12 177.200 177.200 177.264 -0.064 25493 8828 1 20 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.578 1.722 25493 8829 1 20 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.687 -0.287 25493 8830 1 20 . 1 1 12 12 ILE H H 12 8.190 8.190 7.774 0.416 25493 8831 1 20 . 1 1 13 13 ARG N N 13 120.200 120.200 121.783 -1.583 25493 8832 1 20 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.911 -0.171 25493 8833 1 20 . 1 1 13 13 ARG C C 13 177.700 177.700 178.011 -0.311 25493 8834 1 20 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.938 0.362 25493 8835 1 20 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.968 -1.768 25493 8836 1 20 . 1 1 13 13 ARG H H 13 8.320 8.320 8.034 0.286 25493 8837 1 20 . 1 1 14 14 ASP N N 14 119.200 119.200 118.220 0.980 25493 8838 1 20 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.537 -0.207 25493 8839 1 20 . 1 1 14 14 ASP C C 14 178.800 178.800 176.726 2.074 25493 8840 1 20 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.886 2.114 25493 8841 1 20 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.225 -0.625 25493 8842 1 20 . 1 1 14 14 ASP H H 14 8.280 8.280 7.888 0.392 25493 8843 1 20 . 1 1 15 15 ARG N N 15 120.400 120.400 118.228 2.172 25493 8844 1 20 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.421 -0.451 25493 8845 1 20 . 1 1 15 15 ARG C C 15 179.300 179.300 176.783 2.517 25493 8846 1 20 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.566 2.634 25493 8847 1 20 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.968 -1.968 25493 8848 1 20 . 1 1 15 15 ARG H H 15 7.980 7.980 7.570 0.410 25493 8849 1 20 . 1 1 16 16 LEU N N 16 120.500 120.500 119.012 1.488 25493 8850 1 20 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.525 -0.555 25493 8851 1 20 . 1 1 16 16 LEU C C 16 178.500 178.500 177.095 1.405 25493 8852 1 20 . 1 1 16 16 LEU CA C 16 58.100 58.100 57.213 0.887 25493 8853 1 20 . 1 1 16 16 LEU CB C 16 41.200 41.200 43.567 -2.367 25493 8854 1 20 . 1 1 16 16 LEU H H 16 8.210 8.210 8.360 -0.150 25493 8855 1 20 . 1 1 17 17 LEU N N 17 116.100 116.100 120.490 -4.390 25493 8856 1 20 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.099 -0.099 25493 8857 1 20 . 1 1 17 17 LEU C C 17 179.400 179.400 178.545 0.855 25493 8858 1 20 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.687 -0.087 25493 8859 1 20 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.392 0.308 25493 8860 1 20 . 1 1 17 17 LEU H H 17 8.310 8.310 8.324 -0.014 25493 8861 1 20 . 1 1 18 18 GLN N N 18 114.300 114.300 116.005 -1.705 25493 8862 1 20 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.167 0.073 25493 8863 1 20 . 1 1 18 18 GLN C C 18 176.700 176.700 177.411 -0.711 25493 8864 1 20 . 1 1 18 18 GLN CA C 18 57.000 57.000 56.877 0.123 25493 8865 1 20 . 1 1 18 18 GLN CB C 18 28.800 28.800 28.257 0.543 25493 8866 1 20 . 1 1 18 18 GLN H H 18 7.460 7.460 7.366 0.094 25493 8867 1 20 . 1 1 19 19 ALA N N 19 120.800 120.800 121.086 -0.286 25493 8868 1 20 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.187 0.303 25493 8869 1 20 . 1 1 19 19 ALA C C 19 176.000 176.000 177.724 -1.724 25493 8870 1 20 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.852 -1.252 25493 8871 1 20 . 1 1 19 19 ALA CB C 19 22.100 22.100 18.836 3.264 25493 8872 1 20 . 1 1 19 19 ALA H H 19 7.770 7.770 8.077 -0.307 25493 8873 1 20 . 1 1 20 20 ILE N N 20 113.500 113.500 111.737 1.763 25493 8874 1 20 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.524 0.676 25493 8875 1 20 . 1 1 20 20 ILE C C 20 173.600 173.600 174.059 -0.459 25493 8876 1 20 . 1 1 20 20 ILE CA C 20 59.200 59.200 59.203 -0.003 25493 8877 1 20 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.864 1.936 25493 8878 1 20 . 1 1 20 20 ILE H H 20 7.360 7.360 7.293 0.067 25493 8879 1 20 . 1 1 21 21 ASP N N 21 122.500 122.500 119.301 3.199 25493 8880 1 20 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.090 -0.110 25493 8881 1 20 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.694 0.406 25493 8882 1 20 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.883 -0.683 25493 8883 1 20 . 1 1 21 21 ASP H H 21 8.530 8.530 8.290 0.240 25493 8884 1 20 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.398 0.052 25493 8885 1 20 . 1 1 22 22 PRO C C 22 177.500 177.500 177.417 0.083 25493 8886 1 20 . 1 1 22 22 PRO CA C 22 65.200 65.200 64.349 0.851 25493 8887 1 20 . 1 1 22 22 PRO CB C 22 31.900 31.900 32.418 -0.518 25493 8888 1 20 . 1 1 23 23 GLN N N 23 115.900 115.900 119.452 -3.552 25493 8889 1 20 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.155 0.265 25493 8890 1 20 . 1 1 23 23 GLN C C 23 174.800 174.800 176.110 -1.310 25493 8891 1 20 . 1 1 23 23 GLN CA C 23 55.400 55.400 58.248 -2.848 25493 8892 1 20 . 1 1 23 23 GLN CB C 23 28.700 28.700 29.426 -0.726 25493 8893 1 20 . 1 1 23 23 GLN H H 23 7.950 7.950 8.109 -0.159 25493 8894 1 20 . 1 1 24 24 SER N N 24 107.900 107.900 106.466 1.434 25493 8895 1 20 . 1 1 24 24 SER HA H 24 3.730 3.730 4.585 -0.855 25493 8896 1 20 . 1 1 24 24 SER C C 24 173.200 173.200 173.807 -0.607 25493 8897 1 20 . 1 1 24 24 SER CA C 24 60.300 60.300 57.477 2.823 25493 8898 1 20 . 1 1 24 24 SER CB C 24 60.300 60.300 64.262 -3.962 25493 8899 1 20 . 1 1 24 24 SER H H 24 8.270 8.270 8.238 0.032 25493 8900 1 20 . 1 1 25 25 ASN N N 25 117.000 117.000 121.982 -4.982 25493 8901 1 20 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.734 -0.204 25493 8902 1 20 . 1 1 25 25 ASN C C 25 175.600 175.600 174.886 0.714 25493 8903 1 20 . 1 1 25 25 ASN CA C 25 52.800 52.800 54.155 -1.355 25493 8904 1 20 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.511 -1.011 25493 8905 1 20 . 1 1 25 25 ASN H H 25 8.500 8.500 7.862 0.638 25493 8906 1 20 . 1 1 26 26 ILE N N 26 122.400 122.400 117.442 4.958 25493 8907 1 20 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.145 -0.325 25493 8908 1 20 . 1 1 26 26 ILE C C 26 176.400 176.400 176.652 -0.252 25493 8909 1 20 . 1 1 26 26 ILE CA C 26 63.600 63.600 61.053 2.547 25493 8910 1 20 . 1 1 26 26 ILE CB C 26 38.600 38.600 39.461 -0.861 25493 8911 1 20 . 1 1 26 26 ILE H H 26 8.890 8.890 8.444 0.446 25493 8912 1 20 . 1 1 27 27 ARG N N 27 127.600 127.600 117.799 9.801 25493 8913 1 20 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.845 0.685 25493 8914 1 20 . 1 1 27 27 ARG C C 27 176.000 176.000 176.579 -0.579 25493 8915 1 20 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.946 -2.446 25493 8916 1 20 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.964 2.436 25493 8917 1 20 . 1 1 27 27 ARG H H 27 9.070 9.070 8.416 0.654 25493 8918 1 20 . 1 1 28 28 ASN N N 28 117.300 117.300 119.012 -1.712 25493 8919 1 20 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.950 -0.020 25493 8920 1 20 . 1 1 28 28 ASN C C 28 174.300 174.300 175.146 -0.846 25493 8921 1 20 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.882 -0.282 25493 8922 1 20 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.355 0.645 25493 8923 1 20 . 1 1 28 28 ASN H H 28 7.510 7.510 8.328 -0.818 25493 8924 1 20 . 1 1 29 29 MET N N 29 125.700 125.700 122.694 3.006 25493 8925 1 20 . 1 1 29 29 MET HA H 29 4.190 4.190 4.167 0.023 25493 8926 1 20 . 1 1 29 29 MET C C 29 177.300 177.300 176.866 0.434 25493 8927 1 20 . 1 1 29 29 MET CA C 29 57.600 57.600 59.111 -1.511 25493 8928 1 20 . 1 1 29 29 MET CB C 29 31.400 31.400 32.724 -1.324 25493 8929 1 20 . 1 1 29 29 MET H H 29 8.940 8.940 7.964 0.976 25493 8930 1 20 . 1 1 30 30 VAL N N 30 118.600 118.600 118.090 0.510 25493 8931 1 20 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.743 -0.223 25493 8932 1 20 . 1 1 30 30 VAL C C 30 178.800 178.800 176.312 2.488 25493 8933 1 20 . 1 1 30 30 VAL CA C 30 66.900 66.900 64.453 2.447 25493 8934 1 20 . 1 1 30 30 VAL CB C 30 31.500 31.500 31.581 -0.081 25493 8935 1 20 . 1 1 30 30 VAL H H 30 7.910 7.910 7.888 0.022 25493 8936 1 20 . 1 1 31 31 ALA N N 31 120.600 120.600 120.622 -0.022 25493 8937 1 20 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.252 -0.122 25493 8938 1 20 . 1 1 31 31 ALA C C 31 180.300 180.300 179.418 0.882 25493 8939 1 20 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.778 -0.478 25493 8940 1 20 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.927 -0.027 25493 8941 1 20 . 1 1 31 31 ALA H H 31 7.270 7.270 7.727 -0.457 25493 8942 1 20 . 1 1 32 32 VAL N N 32 117.900 117.900 119.399 -1.499 25493 8943 1 20 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.793 -0.413 25493 8944 1 20 . 1 1 32 32 VAL C C 32 177.700 177.700 177.280 0.420 25493 8945 1 20 . 1 1 32 32 VAL CA C 32 67.700 67.700 65.157 2.542 25493 8946 1 20 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.120 -1.220 25493 8947 1 20 . 1 1 32 32 VAL H H 32 7.640 7.640 7.431 0.209 25493 8948 1 20 . 1 1 33 33 LEU N N 33 119.900 119.900 118.814 1.086 25493 8949 1 20 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.141 -0.231 25493 8950 1 20 . 1 1 33 33 LEU C C 33 179.900 179.900 178.319 1.581 25493 8951 1 20 . 1 1 33 33 LEU CA C 33 58.300 58.300 57.578 0.722 25493 8952 1 20 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.843 -1.143 25493 8953 1 20 . 1 1 33 33 LEU H H 33 8.450 8.450 8.257 0.193 25493 8954 1 20 . 1 1 34 34 GLU N N 34 121.200 121.200 118.881 2.319 25493 8955 1 20 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.124 -0.064 25493 8956 1 20 . 1 1 34 34 GLU C C 34 179.800 179.800 178.646 1.154 25493 8957 1 20 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.419 0.381 25493 8958 1 20 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.475 -0.175 25493 8959 1 20 . 1 1 34 34 GLU H H 34 8.080 8.080 7.405 0.675 25493 8960 1 20 . 1 1 35 35 VAL N N 35 122.400 122.400 120.142 2.258 25493 8961 1 20 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.829 -0.229 25493 8962 1 20 . 1 1 35 35 VAL C C 35 177.900 177.900 177.704 0.196 25493 8963 1 20 . 1 1 35 35 VAL CA C 35 67.100 67.100 65.475 1.625 25493 8964 1 20 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.558 -0.658 25493 8965 1 20 . 1 1 35 35 VAL H H 35 8.060 8.060 7.478 0.582 25493 8966 1 20 . 1 1 36 36 ILE N N 36 119.800 119.800 120.131 -0.331 25493 8967 1 20 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.812 -0.252 25493 8968 1 20 . 1 1 36 36 ILE C C 36 177.500 177.500 178.057 -0.557 25493 8969 1 20 . 1 1 36 36 ILE CA C 36 64.200 64.200 64.876 -0.676 25493 8970 1 20 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.496 -0.196 25493 8971 1 20 . 1 1 36 36 ILE H H 36 8.420 8.420 7.524 0.896 25493 8972 1 20 . 1 1 37 37 SER N N 37 114.700 114.700 113.194 1.506 25493 8973 1 20 . 1 1 37 37 SER HA H 37 4.290 4.290 4.340 -0.050 25493 8974 1 20 . 1 1 37 37 SER C C 37 177.300 177.300 174.949 2.351 25493 8975 1 20 . 1 1 37 37 SER CA C 37 61.900 61.900 59.893 2.007 25493 8976 1 20 . 1 1 37 37 SER CB C 37 63.100 63.100 62.342 0.758 25493 8977 1 20 . 1 1 37 37 SER H H 37 8.430 8.430 7.806 0.624 25493 8978 1 20 . 1 1 38 38 SER N N 38 117.200 117.200 116.982 0.218 25493 8979 1 20 . 1 1 38 38 SER HA H 38 4.290 4.290 4.537 -0.247 25493 8980 1 20 . 1 1 38 38 SER C C 38 176.700 176.700 176.229 0.471 25493 8981 1 20 . 1 1 38 38 SER CA C 38 62.500 62.500 60.059 2.441 25493 8982 1 20 . 1 1 38 38 SER CB C 38 63.100 63.100 64.508 -1.408 25493 8983 1 20 . 1 1 38 38 SER H H 38 8.200 8.200 7.921 0.279 25493 8984 1 20 . 1 1 39 39 LEU N N 39 121.600 121.600 123.656 -2.056 25493 8985 1 20 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.118 0.252 25493 8986 1 20 . 1 1 39 39 LEU C C 39 178.700 178.700 179.067 -0.367 25493 8987 1 20 . 1 1 39 39 LEU CA C 39 57.100 57.100 58.274 -1.174 25493 8988 1 20 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.298 1.502 25493 8989 1 20 . 1 1 39 39 LEU H H 39 8.150 8.150 8.468 -0.318 25493 8990 1 20 . 1 1 40 40 GLU N N 40 118.600 118.600 116.623 1.977 25493 8991 1 20 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.265 -0.365 25493 8992 1 20 . 1 1 40 40 GLU C C 40 178.100 178.100 177.022 1.078 25493 8993 1 20 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.465 0.235 25493 8994 1 20 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.426 0.874 25493 8995 1 20 . 1 1 40 40 GLU H H 40 8.190 8.190 8.195 -0.005 25493 8996 1 20 . 1 1 41 41 LYS N N 41 116.300 116.300 115.734 0.566 25493 8997 1 20 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.508 -0.278 25493 8998 1 20 . 1 1 41 41 LYS C C 41 175.800 175.800 175.680 0.120 25493 8999 1 20 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.494 1.106 25493 9000 1 20 . 1 1 41 41 LYS CB C 41 33.600 33.600 32.815 0.785 25493 9001 1 20 . 1 1 41 41 LYS H H 41 7.440 7.440 7.949 -0.509 25493 9002 1 20 . 1 1 42 42 TYR N N 42 121.400 121.400 124.381 -2.981 25493 9003 1 20 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.831 0.029 25493 9004 1 20 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.292 0.108 25493 9005 1 20 . 1 1 42 42 TYR CB C 42 39.600 39.600 39.903 -0.303 25493 9006 1 20 . 1 1 42 42 TYR H H 42 7.730 7.730 7.873 -0.143 25493 9007 1 20 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.410 0.350 25493 9008 1 20 . 1 1 43 43 PRO C C 43 175.800 175.800 175.823 -0.023 25493 9009 1 20 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.989 -0.488 25493 9010 1 20 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.600 -0.300 25493 9011 1 20 . 1 1 44 44 ILE N N 44 124.000 124.000 126.153 -2.153 25493 9012 1 20 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.222 0.248 25493 9013 1 20 . 1 1 44 44 ILE C C 44 174.300 174.300 175.907 -1.607 25493 9014 1 20 . 1 1 44 44 ILE CA C 44 60.300 60.300 60.443 -0.143 25493 9015 1 20 . 1 1 44 44 ILE CB C 44 40.700 40.700 38.266 2.434 25493 9016 1 20 . 1 1 44 44 ILE H H 44 8.200 8.200 7.816 0.384 25493 9017 1 20 . 1 1 45 45 THR N N 45 112.200 112.200 116.882 -4.682 25493 9018 1 20 . 1 1 45 45 THR HA H 45 4.530 4.530 4.626 -0.096 25493 9019 1 20 . 1 1 45 45 THR C C 45 175.100 175.100 175.337 -0.237 25493 9020 1 20 . 1 1 45 45 THR CA C 45 59.800 59.800 60.182 -0.382 25493 9021 1 20 . 1 1 45 45 THR CB C 45 72.300 72.300 70.925 1.375 25493 9022 1 20 . 1 1 45 45 THR H H 45 7.330 7.330 7.989 -0.659 25493 9023 1 20 . 1 1 46 46 LYS N N 46 121.500 121.500 124.483 -2.983 25493 9024 1 20 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.913 -0.173 25493 9025 1 20 . 1 1 46 46 LYS C C 46 178.200 178.200 178.324 -0.124 25493 9026 1 20 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.549 0.451 25493 9027 1 20 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.973 0.527 25493 9028 1 20 . 1 1 46 46 LYS H H 46 9.090 9.090 8.768 0.322 25493 9029 1 20 . 1 1 47 47 GLU N N 47 118.400 118.400 119.002 -0.602 25493 9030 1 20 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.069 -0.049 25493 9031 1 20 . 1 1 47 47 GLU C C 47 179.000 179.000 177.751 1.249 25493 9032 1 20 . 1 1 47 47 GLU CA C 47 60.800 60.800 59.061 1.739 25493 9033 1 20 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.358 -0.658 25493 9034 1 20 . 1 1 47 47 GLU H H 47 9.010 9.010 8.707 0.303 25493 9035 1 20 . 1 1 48 48 ALA N N 48 122.300 122.300 121.332 0.968 25493 9036 1 20 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.309 -0.039 25493 9037 1 20 . 1 1 48 48 ALA C C 48 181.900 181.900 179.401 2.499 25493 9038 1 20 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.627 1.272 25493 9039 1 20 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.692 -0.891 25493 9040 1 20 . 1 1 48 48 ALA H H 48 7.860 7.860 7.568 0.292 25493 9041 1 20 . 1 1 49 49 LEU N N 49 122.200 122.200 122.033 0.167 25493 9042 1 20 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.026 -0.446 25493 9043 1 20 . 1 1 49 49 LEU C C 49 179.800 179.800 178.256 1.544 25493 9044 1 20 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.696 1.004 25493 9045 1 20 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.338 -0.038 25493 9046 1 20 . 1 1 49 49 LEU H H 49 8.260 8.260 8.219 0.041 25493 9047 1 20 . 1 1 50 50 GLU N N 50 120.400 120.400 117.570 2.830 25493 9048 1 20 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.011 0.029 25493 9049 1 20 . 1 1 50 50 GLU C C 50 178.900 178.900 179.371 -0.471 25493 9050 1 20 . 1 1 50 50 GLU CA C 50 59.200 59.200 58.994 0.206 25493 9051 1 20 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.084 0.116 25493 9052 1 20 . 1 1 50 50 GLU H H 50 8.120 8.120 8.445 -0.325 25493 9053 1 20 . 1 1 51 51 GLU N N 51 118.500 118.500 121.213 -2.713 25493 9054 1 20 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.178 -0.128 25493 9055 1 20 . 1 1 51 51 GLU C C 51 178.800 178.800 178.893 -0.093 25493 9056 1 20 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.818 0.382 25493 9057 1 20 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.814 0.486 25493 9058 1 20 . 1 1 51 51 GLU H H 51 8.200 8.200 8.084 0.116 25493 9059 1 20 . 1 1 52 52 THR N N 52 104.700 104.700 110.369 -5.669 25493 9060 1 20 . 1 1 52 52 THR HA H 52 4.090 4.090 4.206 -0.116 25493 9061 1 20 . 1 1 52 52 THR C C 52 175.400 175.400 175.228 0.172 25493 9062 1 20 . 1 1 52 52 THR CA C 52 63.100 63.100 63.259 -0.159 25493 9063 1 20 . 1 1 52 52 THR CB C 52 71.800 71.800 68.661 3.139 25493 9064 1 20 . 1 1 52 52 THR H H 52 7.840 7.840 8.453 -0.613 25493 9065 1 20 . 1 1 53 53 ARG N N 53 114.400 114.400 117.432 -3.032 25493 9066 1 20 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.923 0.187 25493 9067 1 20 . 1 1 53 53 ARG C C 53 177.200 177.200 175.976 1.224 25493 9068 1 20 . 1 1 53 53 ARG CA C 53 57.300 57.300 57.110 0.190 25493 9069 1 20 . 1 1 53 53 ARG CB C 53 27.500 27.500 27.142 0.357 25493 9070 1 20 . 1 1 53 53 ARG H H 53 7.680 7.680 7.570 0.110 25493 9071 1 20 . 1 1 54 54 LEU N N 54 117.200 117.200 117.564 -0.364 25493 9072 1 20 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.079 -0.269 25493 9073 1 20 . 1 1 54 54 LEU C C 54 178.200 178.200 177.087 1.113 25493 9074 1 20 . 1 1 54 54 LEU CA C 54 58.700 58.700 57.161 1.539 25493 9075 1 20 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.472 1.928 25493 9076 1 20 . 1 1 54 54 LEU H H 54 7.460 7.460 7.430 0.030 25493 9077 1 20 . 1 1 55 55 GLY N N 55 105.900 105.900 104.102 1.798 25493 9078 1 20 . 1 1 55 55 GLY C C 55 175.500 175.500 175.053 0.447 25493 9079 1 20 . 1 1 55 55 GLY CA C 55 47.200 47.200 45.848 1.352 25493 9080 1 20 . 1 1 55 55 GLY H H 55 8.650 8.650 7.756 0.894 25493 9081 1 20 . 1 1 56 56 LYS N N 56 123.300 123.300 123.206 0.094 25493 9082 1 20 . 1 1 56 56 LYS HA H 56 4.110 4.110 3.965 0.145 25493 9083 1 20 . 1 1 56 56 LYS C C 56 178.300 178.300 178.954 -0.654 25493 9084 1 20 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.502 0.698 25493 9085 1 20 . 1 1 56 56 LYS CB C 56 32.500 32.500 31.996 0.504 25493 9086 1 20 . 1 1 56 56 LYS H H 56 7.210 7.210 7.976 -0.766 25493 9087 1 20 . 1 1 57 57 LEU N N 57 117.700 117.700 115.798 1.902 25493 9088 1 20 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.282 -0.102 25493 9089 1 20 . 1 1 57 57 LEU C C 57 179.600 179.600 178.674 0.926 25493 9090 1 20 . 1 1 57 57 LEU CA C 57 57.700 57.700 58.230 -0.530 25493 9091 1 20 . 1 1 57 57 LEU CB C 57 43.400 43.400 41.370 2.030 25493 9092 1 20 . 1 1 57 57 LEU H H 57 7.900 7.900 8.019 -0.119 25493 9093 1 20 . 1 1 58 58 ILE N N 58 116.600 116.600 120.676 -4.076 25493 9094 1 20 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.799 -0.119 25493 9095 1 20 . 1 1 58 58 ILE C C 58 177.900 177.900 178.351 -0.451 25493 9096 1 20 . 1 1 58 58 ILE CA C 58 63.100 63.100 64.230 -1.130 25493 9097 1 20 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.658 -0.858 25493 9098 1 20 . 1 1 58 58 ILE H H 58 8.640 8.640 7.303 1.337 25493 9099 1 20 . 1 1 59 59 ASN N N 59 119.600 119.600 117.132 2.468 25493 9100 1 20 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.518 -0.148 25493 9101 1 20 . 1 1 59 59 ASN C C 59 176.700 176.700 175.548 1.152 25493 9102 1 20 . 1 1 59 59 ASN CA C 59 57.000 57.000 55.749 1.251 25493 9103 1 20 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.426 0.074 25493 9104 1 20 . 1 1 59 59 ASN H H 59 8.120 8.120 8.571 -0.451 25493 9105 1 20 . 1 1 60 60 ASP N N 60 119.600 119.600 118.558 1.042 25493 9106 1 20 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.646 -0.266 25493 9107 1 20 . 1 1 60 60 ASP C C 60 179.400 179.400 178.102 1.298 25493 9108 1 20 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.546 1.054 25493 9109 1 20 . 1 1 60 60 ASP CB C 60 39.600 39.600 41.339 -1.739 25493 9110 1 20 . 1 1 60 60 ASP H H 60 8.490 8.490 7.296 1.194 25493 9111 1 20 . 1 1 61 61 VAL N N 61 118.700 118.700 122.842 -4.142 25493 9112 1 20 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.955 -0.205 25493 9113 1 20 . 1 1 61 61 VAL C C 61 179.000 179.000 177.058 1.942 25493 9114 1 20 . 1 1 61 61 VAL CA C 61 65.800 65.800 64.803 0.997 25493 9115 1 20 . 1 1 61 61 VAL CB C 61 32.500 32.500 32.086 0.414 25493 9116 1 20 . 1 1 61 61 VAL H H 61 7.930 7.930 8.243 -0.313 25493 9117 1 20 . 1 1 62 62 ARG N N 62 120.900 120.900 117.155 3.745 25493 9118 1 20 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.253 -0.603 25493 9119 1 20 . 1 1 62 62 ARG C C 62 177.100 177.100 176.861 0.239 25493 9120 1 20 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.254 0.946 25493 9121 1 20 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.893 -0.093 25493 9122 1 20 . 1 1 62 62 ARG H H 62 8.620 8.620 7.800 0.820 25493 9123 1 20 . 1 1 63 63 LYS N N 63 115.700 115.700 117.468 -1.768 25493 9124 1 20 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.306 -0.376 25493 9125 1 20 . 1 1 63 63 LYS C C 63 177.600 177.600 178.064 -0.464 25493 9126 1 20 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.358 1.842 25493 9127 1 20 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.436 0.564 25493 9128 1 20 . 1 1 63 63 LYS H H 63 7.940 7.940 7.588 0.352 25493 9129 1 20 . 1 1 64 64 LYS N N 64 115.300 115.300 119.703 -4.403 25493 9130 1 20 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.226 0.204 25493 9131 1 20 . 1 1 64 64 LYS C C 64 176.900 176.900 176.770 0.130 25493 9132 1 20 . 1 1 64 64 LYS CA C 64 55.400 55.400 57.865 -2.465 25493 9133 1 20 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.039 1.061 25493 9134 1 20 . 1 1 64 64 LYS H H 64 7.130 7.130 7.982 -0.852 25493 9135 1 20 . 1 1 65 65 THR N N 65 113.500 113.500 113.693 -0.193 25493 9136 1 20 . 1 1 65 65 THR HA H 65 4.520 4.520 4.527 -0.007 25493 9137 1 20 . 1 1 65 65 THR C C 65 173.200 173.200 171.981 1.219 25493 9138 1 20 . 1 1 65 65 THR CA C 65 62.000 62.000 60.594 1.406 25493 9139 1 20 . 1 1 65 65 THR CB C 65 69.600 69.600 70.884 -1.284 25493 9140 1 20 . 1 1 65 65 THR H H 65 7.250 7.250 7.885 -0.635 25493 9141 1 20 . 1 1 66 66 LYS N N 66 125.700 125.700 123.564 2.136 25493 9142 1 20 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.503 0.007 25493 9143 1 20 . 1 1 66 66 LYS C C 66 175.900 175.900 175.125 0.775 25493 9144 1 20 . 1 1 66 66 LYS CA C 66 55.400 55.400 54.789 0.611 25493 9145 1 20 . 1 1 66 66 LYS CB C 66 32.000 32.000 31.684 0.316 25493 9146 1 20 . 1 1 66 66 LYS H H 66 8.500 8.500 8.543 -0.043 25493 9147 1 20 . 1 1 67 67 ASN N N 67 122.100 122.100 123.167 -1.067 25493 9148 1 20 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.629 0.061 25493 9149 1 20 . 1 1 67 67 ASN C C 67 174.400 174.400 176.667 -2.267 25493 9150 1 20 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.410 -0.210 25493 9151 1 20 . 1 1 67 67 ASN CB C 67 39.000 39.000 39.436 -0.436 25493 9152 1 20 . 1 1 67 67 ASN H H 67 8.570 8.570 8.339 0.231 25493 9153 1 20 . 1 1 68 68 GLU N N 68 128.400 128.400 123.573 4.827 25493 9154 1 20 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.957 0.033 25493 9155 1 20 . 1 1 68 68 GLU C C 68 178.500 178.500 177.101 1.399 25493 9156 1 20 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.187 0.113 25493 9157 1 20 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.530 0.270 25493 9158 1 20 . 1 1 68 68 GLU H H 68 8.850 8.850 8.981 -0.131 25493 9159 1 20 . 1 1 69 69 GLU N N 69 120.300 120.300 119.776 0.524 25493 9160 1 20 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.335 -0.305 25493 9161 1 20 . 1 1 69 69 GLU C C 69 179.000 179.000 177.789 1.211 25493 9162 1 20 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.196 2.004 25493 9163 1 20 . 1 1 69 69 GLU CB C 69 29.200 29.200 29.314 -0.114 25493 9164 1 20 . 1 1 69 69 GLU H H 69 8.190 8.190 8.249 -0.059 25493 9165 1 20 . 1 1 70 70 LEU N N 70 121.300 121.300 121.236 0.064 25493 9166 1 20 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.133 -0.263 25493 9167 1 20 . 1 1 70 70 LEU C C 70 178.500 178.500 178.531 -0.031 25493 9168 1 20 . 1 1 70 70 LEU CA C 70 58.200 58.200 56.887 1.313 25493 9169 1 20 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.590 -0.890 25493 9170 1 20 . 1 1 70 70 LEU H H 70 8.120 8.120 8.018 0.102 25493 9171 1 20 . 1 1 71 71 ALA N N 71 121.000 121.000 119.911 1.089 25493 9172 1 20 . 1 1 71 71 ALA HA H 71 3.740 3.740 4.005 -0.265 25493 9173 1 20 . 1 1 71 71 ALA C C 71 180.100 180.100 177.740 2.360 25493 9174 1 20 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.027 1.473 25493 9175 1 20 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.850 -1.150 25493 9176 1 20 . 1 1 71 71 ALA H H 71 8.330 8.330 8.443 -0.113 25493 9177 1 20 . 1 1 72 72 LYS N N 72 118.200 118.200 113.728 4.472 25493 9178 1 20 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.472 -0.512 25493 9179 1 20 . 1 1 72 72 LYS C C 72 179.800 179.800 178.277 1.523 25493 9180 1 20 . 1 1 72 72 LYS CA C 72 59.800 59.800 57.118 2.682 25493 9181 1 20 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.735 -0.235 25493 9182 1 20 . 1 1 72 72 LYS H H 72 8.150 8.150 7.488 0.662 25493 9183 1 20 . 1 1 73 73 ARG N N 73 120.600 120.600 121.302 -0.702 25493 9184 1 20 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.198 -0.208 25493 9185 1 20 . 1 1 73 73 ARG C C 73 180.100 180.100 177.817 2.283 25493 9186 1 20 . 1 1 73 73 ARG CA C 73 59.300 59.300 58.630 0.670 25493 9187 1 20 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.517 1.482 25493 9188 1 20 . 1 1 73 73 ARG H H 73 8.140 8.140 8.612 -0.472 25493 9189 1 20 . 1 1 74 74 ALA N N 74 121.700 121.700 121.407 0.293 25493 9190 1 20 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.010 -0.230 25493 9191 1 20 . 1 1 74 74 ALA C C 74 178.100 178.100 179.259 -1.159 25493 9192 1 20 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.586 -0.686 25493 9193 1 20 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.345 -1.145 25493 9194 1 20 . 1 1 74 74 ALA H H 74 8.970 8.970 7.825 1.145 25493 9195 1 20 . 1 1 75 75 LYS N N 75 117.900 117.900 115.926 1.974 25493 9196 1 20 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.227 -0.487 25493 9197 1 20 . 1 1 75 75 LYS C C 75 178.300 178.300 178.377 -0.077 25493 9198 1 20 . 1 1 75 75 LYS CA C 75 60.300 60.300 57.846 2.454 25493 9199 1 20 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.373 0.127 25493 9200 1 20 . 1 1 75 75 LYS H H 75 8.200 8.200 7.639 0.561 25493 9201 1 20 . 1 1 76 76 LYS N N 76 118.800 118.800 119.318 -0.518 25493 9202 1 20 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.131 -0.241 25493 9203 1 20 . 1 1 76 76 LYS C C 76 179.200 179.200 178.980 0.220 25493 9204 1 20 . 1 1 76 76 LYS CA C 76 59.800 59.800 58.813 0.987 25493 9205 1 20 . 1 1 76 76 LYS CB C 76 32.400 32.400 32.647 -0.247 25493 9206 1 20 . 1 1 76 76 LYS H H 76 7.630 7.630 7.302 0.328 25493 9207 1 20 . 1 1 77 77 LEU N N 77 121.400 121.400 122.059 -0.659 25493 9208 1 20 . 1 1 77 77 LEU HA H 77 3.630 3.630 3.947 -0.318 25493 9209 1 20 . 1 1 77 77 LEU C C 77 178.200 178.200 178.112 0.088 25493 9210 1 20 . 1 1 77 77 LEU CA C 77 57.600 57.600 56.904 0.696 25493 9211 1 20 . 1 1 77 77 LEU CB C 77 41.800 41.800 41.812 -0.012 25493 9212 1 20 . 1 1 77 77 LEU H H 77 7.430 7.430 8.355 -0.925 25493 9213 1 20 . 1 1 78 78 LEU N N 78 117.600 117.600 118.741 -1.141 25493 9214 1 20 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.730 0.030 25493 9215 1 20 . 1 1 78 78 LEU C C 78 180.300 180.300 178.426 1.874 25493 9216 1 20 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.646 0.454 25493 9217 1 20 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.858 0.342 25493 9218 1 20 . 1 1 78 78 LEU H H 78 7.960 7.960 7.535 0.425 25493 9219 1 20 . 1 1 79 79 ARG N N 79 119.800 119.800 117.419 2.381 25493 9220 1 20 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.937 0.173 25493 9221 1 20 . 1 1 79 79 ARG C C 79 179.500 179.500 178.480 1.020 25493 9222 1 20 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.352 0.848 25493 9223 1 20 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.680 0.020 25493 9224 1 20 . 1 1 79 79 ARG H H 79 8.110 8.110 7.498 0.612 25493 9225 1 20 . 1 1 80 80 SER N N 80 117.800 117.800 114.826 2.974 25493 9226 1 20 . 1 1 80 80 SER HA H 80 4.310 4.310 4.097 0.213 25493 9227 1 20 . 1 1 80 80 SER C C 80 177.000 177.000 174.845 2.155 25493 9228 1 20 . 1 1 80 80 SER CA C 80 61.500 61.500 60.223 1.277 25493 9229 1 20 . 1 1 80 80 SER CB C 80 62.500 62.500 62.879 -0.379 25493 9230 1 20 . 1 1 80 80 SER H H 80 7.870 7.870 7.346 0.524 25493 9231 1 20 . 1 1 81 81 TRP N N 81 123.300 123.300 117.535 5.765 25493 9232 1 20 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.043 -0.233 25493 9233 1 20 . 1 1 81 81 TRP C C 81 178.200 178.200 177.353 0.847 25493 9234 1 20 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.720 0.780 25493 9235 1 20 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.416 0.784 25493 9236 1 20 . 1 1 81 81 TRP H H 81 8.010 8.010 7.031 0.979 25493 9237 1 20 . 1 1 82 82 GLN N N 82 120.400 120.400 123.386 -2.986 25493 9238 1 20 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.127 -0.047 25493 9239 1 20 . 1 1 82 82 GLN C C 82 177.600 177.600 177.122 0.478 25493 9240 1 20 . 1 1 82 82 GLN CA C 82 59.200 59.200 58.621 0.579 25493 9241 1 20 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.237 -0.037 25493 9242 1 20 . 1 1 82 82 GLN H H 82 8.080 8.080 8.167 -0.087 25493 9243 1 20 . 1 1 83 83 LYS N N 83 115.600 115.600 117.994 -2.394 25493 9244 1 20 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.130 0.090 25493 9245 1 20 . 1 1 83 83 LYS C C 83 177.400 177.400 177.037 0.363 25493 9246 1 20 . 1 1 83 83 LYS CA C 83 57.600 57.600 58.716 -1.116 25493 9247 1 20 . 1 1 83 83 LYS CB C 83 32.500 32.500 32.657 -0.157 25493 9248 1 20 . 1 1 83 83 LYS H H 83 7.770 7.770 8.322 -0.552 25493 9249 1 20 . 1 1 84 84 LEU N N 84 117.900 117.900 116.325 1.575 25493 9250 1 20 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.489 -0.209 25493 9251 1 20 . 1 1 84 84 LEU C C 84 177.500 177.500 177.214 0.286 25493 9252 1 20 . 1 1 84 84 LEU CA C 84 56.000 56.000 54.941 1.059 25493 9253 1 20 . 1 1 84 84 LEU CB C 84 42.900 42.900 44.108 -1.208 25493 9254 1 20 . 1 1 84 84 LEU H H 84 7.670 7.670 7.783 -0.113 25493 9255 1 20 . 1 1 85 85 ILE N N 85 115.400 115.400 115.542 -0.142 25493 9256 1 20 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.285 -0.155 25493 9257 1 20 . 1 1 85 85 ILE C C 85 175.100 175.100 175.777 -0.677 25493 9258 1 20 . 1 1 85 85 ILE CA C 85 61.400 61.400 60.996 0.404 25493 9259 1 20 . 1 1 85 85 ILE CB C 85 39.600 39.600 38.999 0.601 25493 9260 1 20 . 1 1 85 85 ILE H H 85 7.490 7.490 7.797 -0.307 25493 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 76 2.786 -0.289 2.789 25493 2 1 1 "Average Difference" HA 80 0.300 0.105 0.283 25493 3 1 1 "Average Difference" C 76 1.111 -0.513 0.991 25493 4 1 1 "Average Difference" CA 79 1.285 -0.559 1.165 25493 5 1 1 "Average Difference" CB 78 1.183 0.005 1.191 25493 6 1 1 "Average Difference" HN 76 0.468 -0.096 0.461 25493 7 1 2 "Average Difference" N 76 2.927 -0.296 2.931 25493 8 1 2 "Average Difference" HA 80 0.310 0.108 0.292 25493 9 1 2 "Average Difference" C 76 1.147 -0.492 1.043 25493 10 1 2 "Average Difference" CA 79 1.396 -0.601 1.268 25493 11 1 2 "Average Difference" CB 78 1.108 0.026 1.115 25493 12 1 2 "Average Difference" HN 76 0.477 -0.083 0.473 25493 13 1 3 "Average Difference" N 76 2.693 -0.293 2.695 25493 14 1 3 "Average Difference" HA 80 0.296 0.096 0.281 25493 15 1 3 "Average Difference" C 76 1.104 -0.518 0.981 25493 16 1 3 "Average Difference" CA 79 1.281 -0.581 1.149 25493 17 1 3 "Average Difference" CB 78 1.180 0.049 1.186 25493 18 1 3 "Average Difference" HN 76 0.469 -0.115 0.457 25493 19 1 4 "Average Difference" N 76 2.773 -0.209 2.784 25493 20 1 4 "Average Difference" HA 80 0.271 0.088 0.258 25493 21 1 4 "Average Difference" C 76 1.092 -0.349 1.042 25493 22 1 4 "Average Difference" CA 79 1.236 -0.375 1.186 25493 23 1 4 "Average Difference" CB 78 1.115 -0.016 1.122 25493 24 1 4 "Average Difference" HN 76 0.430 -0.092 0.423 25493 25 1 5 "Average Difference" N 76 2.920 -0.209 2.931 25493 26 1 5 "Average Difference" HA 80 0.275 0.102 0.257 25493 27 1 5 "Average Difference" C 76 1.156 -0.360 1.106 25493 28 1 5 "Average Difference" CA 79 1.232 -0.487 1.139 25493 29 1 5 "Average Difference" CB 78 1.158 -0.071 1.163 25493 30 1 5 "Average Difference" HN 76 0.462 -0.105 0.453 25493 31 1 6 "Average Difference" N 76 2.748 -0.197 2.759 25493 32 1 6 "Average Difference" HA 80 0.274 0.098 0.258 25493 33 1 6 "Average Difference" C 76 1.123 -0.489 1.018 25493 34 1 6 "Average Difference" CA 79 1.248 -0.531 1.136 25493 35 1 6 "Average Difference" CB 78 1.147 0.020 1.155 25493 36 1 6 "Average Difference" HN 76 0.457 -0.052 0.457 25493 37 1 7 "Average Difference" N 76 2.972 -0.499 2.950 25493 38 1 7 "Average Difference" HA 80 0.290 0.107 0.271 25493 39 1 7 "Average Difference" C 76 1.125 -0.388 1.063 25493 40 1 7 "Average Difference" CA 79 1.330 -0.502 1.239 25493 41 1 7 "Average Difference" CB 78 1.160 0.068 1.166 25493 42 1 7 "Average Difference" HN 76 0.476 -0.118 0.464 25493 43 1 8 "Average Difference" N 76 2.961 -0.329 2.962 25493 44 1 8 "Average Difference" HA 80 0.290 0.108 0.271 25493 45 1 8 "Average Difference" C 76 1.149 -0.498 1.043 25493 46 1 8 "Average Difference" CA 79 1.240 -0.555 1.116 25493 47 1 8 "Average Difference" CB 78 1.136 0.086 1.140 25493 48 1 8 "Average Difference" HN 76 0.436 -0.096 0.428 25493 49 1 9 "Average Difference" N 76 2.708 -0.196 2.719 25493 50 1 9 "Average Difference" HA 80 0.279 0.106 0.260 25493 51 1 9 "Average Difference" C 76 1.143 -0.429 1.066 25493 52 1 9 "Average Difference" CA 79 1.212 -0.547 1.088 25493 53 1 9 "Average Difference" CB 78 1.203 0.038 1.210 25493 54 1 9 "Average Difference" HN 76 0.437 -0.095 0.430 25493 55 1 10 "Average Difference" N 76 2.627 -0.089 2.643 25493 56 1 10 "Average Difference" HA 80 0.288 0.093 0.274 25493 57 1 10 "Average Difference" C 76 1.099 -0.417 1.024 25493 58 1 10 "Average Difference" CA 79 1.199 -0.566 1.064 25493 59 1 10 "Average Difference" CB 78 1.153 0.029 1.160 25493 60 1 10 "Average Difference" HN 76 0.416 -0.078 0.411 25493 61 1 11 "Average Difference" N 76 2.872 -0.295 2.876 25493 62 1 11 "Average Difference" HA 80 0.283 0.110 0.263 25493 63 1 11 "Average Difference" C 76 1.156 -0.489 1.054 25493 64 1 11 "Average Difference" CA 79 1.277 -0.593 1.138 25493 65 1 11 "Average Difference" CB 78 1.091 0.091 1.095 25493 66 1 11 "Average Difference" HN 76 0.457 -0.074 0.454 25493 67 1 12 "Average Difference" N 76 3.025 -0.345 3.025 25493 68 1 12 "Average Difference" HA 80 0.296 0.109 0.278 25493 69 1 12 "Average Difference" C 76 1.183 -0.485 1.086 25493 70 1 12 "Average Difference" CA 79 1.310 -0.524 1.208 25493 71 1 12 "Average Difference" CB 78 1.158 0.027 1.165 25493 72 1 12 "Average Difference" HN 76 0.440 -0.092 0.433 25493 73 1 13 "Average Difference" N 76 2.707 -0.189 2.718 25493 74 1 13 "Average Difference" HA 80 0.263 0.096 0.246 25493 75 1 13 "Average Difference" C 76 1.104 -0.483 0.999 25493 76 1 13 "Average Difference" CA 79 1.189 -0.574 1.048 25493 77 1 13 "Average Difference" CB 78 1.141 0.043 1.148 25493 78 1 13 "Average Difference" HN 76 0.469 -0.076 0.466 25493 79 1 14 "Average Difference" N 76 2.794 -0.300 2.796 25493 80 1 14 "Average Difference" HA 80 0.269 0.088 0.256 25493 81 1 14 "Average Difference" C 76 1.199 -0.392 1.141 25493 82 1 14 "Average Difference" CA 79 1.252 -0.460 1.171 25493 83 1 14 "Average Difference" CB 78 1.148 -0.052 1.154 25493 84 1 14 "Average Difference" HN 76 0.461 -0.078 0.457 25493 85 1 15 "Average Difference" N 76 2.993 -0.517 2.968 25493 86 1 15 "Average Difference" HA 80 0.299 0.092 0.287 25493 87 1 15 "Average Difference" C 76 1.076 -0.468 0.975 25493 88 1 15 "Average Difference" CA 79 1.285 -0.520 1.182 25493 89 1 15 "Average Difference" CB 78 1.131 0.055 1.137 25493 90 1 15 "Average Difference" HN 76 0.473 -0.103 0.464 25493 91 1 16 "Average Difference" N 76 2.861 -0.167 2.875 25493 92 1 16 "Average Difference" HA 80 0.271 0.084 0.259 25493 93 1 16 "Average Difference" C 76 1.120 -0.463 1.027 25493 94 1 16 "Average Difference" CA 79 1.216 -0.480 1.124 25493 95 1 16 "Average Difference" CB 78 1.160 -0.018 1.167 25493 96 1 16 "Average Difference" HN 76 0.437 -0.092 0.430 25493 97 1 17 "Average Difference" N 76 2.982 -0.148 2.998 25493 98 1 17 "Average Difference" HA 80 0.288 0.104 0.270 25493 99 1 17 "Average Difference" C 76 1.194 -0.529 1.078 25493 100 1 17 "Average Difference" CA 79 1.319 -0.580 1.192 25493 101 1 17 "Average Difference" CB 78 1.205 0.066 1.211 25493 102 1 17 "Average Difference" HN 76 0.482 -0.086 0.478 25493 103 1 18 "Average Difference" N 76 2.977 -0.393 2.970 25493 104 1 18 "Average Difference" HA 80 0.313 0.111 0.295 25493 105 1 18 "Average Difference" C 76 1.182 -0.499 1.078 25493 106 1 18 "Average Difference" CA 79 1.397 -0.611 1.264 25493 107 1 18 "Average Difference" CB 78 1.277 -0.019 1.285 25493 108 1 18 "Average Difference" HN 76 0.493 -0.074 0.491 25493 109 1 19 "Average Difference" N 76 2.828 -0.359 2.824 25493 110 1 19 "Average Difference" HA 80 0.280 0.100 0.263 25493 111 1 19 "Average Difference" C 76 1.226 -0.444 1.150 25493 112 1 19 "Average Difference" CA 79 1.326 -0.480 1.244 25493 113 1 19 "Average Difference" CB 78 1.120 0.056 1.126 25493 114 1 19 "Average Difference" HN 76 0.483 -0.082 0.480 25493 115 1 20 "Average Difference" N 76 2.766 -0.226 2.775 25493 116 1 20 "Average Difference" HA 80 0.283 0.108 0.263 25493 117 1 20 "Average Difference" C 76 1.176 -0.482 1.080 25493 118 1 20 "Average Difference" CA 79 1.331 -0.565 1.212 25493 119 1 20 "Average Difference" CB 78 1.179 0.020 1.186 25493 120 1 20 "Average Difference" HN 76 0.514 -0.130 0.500 25493 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 25493 _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 7 7 ALA N N 7 123.700 123.700 122.680 1.020 25493 2 1 . 1 1 7 7 ALA HA H 7 4.420 4.420 4.444 -0.024 25493 3 1 . 1 1 7 7 ALA C C 7 176.700 176.700 175.358 1.342 25493 4 1 . 1 1 7 7 ALA CA C 7 51.600 51.600 51.700 -0.100 25493 5 1 . 1 1 7 7 ALA CB C 7 19.900 19.900 20.878 -0.978 25493 6 1 . 1 1 7 7 ALA H H 7 8.040 8.040 7.915 0.125 25493 7 1 . 1 1 8 8 SER N N 8 117.100 117.100 116.639 0.461 25493 8 1 . 1 1 8 8 SER HA H 8 4.750 4.750 4.248 0.502 25493 9 1 . 1 1 8 8 SER CA C 8 56.000 56.000 56.383 -0.383 25493 10 1 . 1 1 8 8 SER CB C 8 63.300 63.300 63.463 -0.163 25493 11 1 . 1 1 8 8 SER H H 8 8.430 8.430 8.313 0.117 25493 12 1 . 1 1 9 9 PRO HA H 9 3.940 3.940 3.909 0.031 25493 13 1 . 1 1 9 9 PRO C C 9 177.400 177.400 178.167 -0.767 25493 14 1 . 1 1 9 9 PRO CA C 9 65.800 65.800 65.471 0.329 25493 15 1 . 1 1 9 9 PRO CB C 9 32.000 32.000 31.678 0.322 25493 16 1 . 1 1 10 10 GLN N N 10 116.000 116.000 116.368 -0.368 25493 17 1 . 1 1 10 10 GLN HA H 10 3.660 3.660 4.005 -0.345 25493 18 1 . 1 1 10 10 GLN C C 10 177.500 177.500 178.243 -0.743 25493 19 1 . 1 1 10 10 GLN CA C 10 60.300 60.300 59.531 0.769 25493 20 1 . 1 1 10 10 GLN CB C 10 27.500 27.500 27.798 -0.298 25493 21 1 . 1 1 10 10 GLN H H 10 8.350 8.350 8.387 -0.037 25493 22 1 . 1 1 11 11 GLN N N 11 119.200 119.200 118.784 0.416 25493 23 1 . 1 1 11 11 GLN HA H 11 4.080 4.080 4.107 -0.027 25493 24 1 . 1 1 11 11 GLN C C 11 179.600 179.600 178.227 1.373 25493 25 1 . 1 1 11 11 GLN CA C 11 58.900 58.900 58.456 0.444 25493 26 1 . 1 1 11 11 GLN CB C 11 28.600 28.600 28.512 0.088 25493 27 1 . 1 1 11 11 GLN H H 11 7.680 7.680 7.706 -0.026 25493 28 1 . 1 1 12 12 ILE N N 12 121.300 121.300 114.256 7.044 25493 29 1 . 1 1 12 12 ILE HA H 12 3.530 3.530 3.890 -0.360 25493 30 1 . 1 1 12 12 ILE C C 12 177.200 177.200 177.317 -0.117 25493 31 1 . 1 1 12 12 ILE CA C 12 65.300 65.300 63.732 1.568 25493 32 1 . 1 1 12 12 ILE CB C 12 37.400 37.400 37.250 0.150 25493 33 1 . 1 1 12 12 ILE H H 12 8.190 8.190 8.023 0.167 25493 34 1 . 1 1 13 13 ARG N N 13 120.200 120.200 122.079 -1.879 25493 35 1 . 1 1 13 13 ARG HA H 13 3.740 3.740 3.915 -0.175 25493 36 1 . 1 1 13 13 ARG C C 13 177.700 177.700 177.955 -0.255 25493 37 1 . 1 1 13 13 ARG CA C 13 60.300 60.300 59.866 0.434 25493 38 1 . 1 1 13 13 ARG CB C 13 28.200 28.200 29.951 -1.752 25493 39 1 . 1 1 13 13 ARG H H 13 8.320 8.320 8.000 0.320 25493 40 1 . 1 1 14 14 ASP N N 14 119.200 119.200 118.000 1.200 25493 41 1 . 1 1 14 14 ASP HA H 14 4.330 4.330 4.546 -0.216 25493 42 1 . 1 1 14 14 ASP C C 14 178.800 178.800 176.910 1.890 25493 43 1 . 1 1 14 14 ASP CA C 14 58.000 58.000 55.878 2.122 25493 44 1 . 1 1 14 14 ASP CB C 14 39.600 39.600 40.166 -0.566 25493 45 1 . 1 1 14 14 ASP H H 14 8.280 8.280 8.088 0.193 25493 46 1 . 1 1 15 15 ARG N N 15 120.400 120.400 118.210 2.190 25493 47 1 . 1 1 15 15 ARG HA H 15 3.970 3.970 4.435 -0.465 25493 48 1 . 1 1 15 15 ARG C C 15 179.300 179.300 177.213 2.087 25493 49 1 . 1 1 15 15 ARG CA C 15 59.200 59.200 56.719 2.481 25493 50 1 . 1 1 15 15 ARG CB C 15 30.000 30.000 31.454 -1.454 25493 51 1 . 1 1 15 15 ARG H H 15 7.980 7.980 7.574 0.407 25493 52 1 . 1 1 16 16 LEU N N 16 120.500 120.500 120.340 0.160 25493 53 1 . 1 1 16 16 LEU HA H 16 3.970 3.970 4.356 -0.386 25493 54 1 . 1 1 16 16 LEU C C 16 178.500 178.500 177.696 0.804 25493 55 1 . 1 1 16 16 LEU CA C 16 58.100 58.100 57.906 0.194 25493 56 1 . 1 1 16 16 LEU CB C 16 41.200 41.200 42.541 -1.341 25493 57 1 . 1 1 16 16 LEU H H 16 8.210 8.210 8.358 -0.148 25493 58 1 . 1 1 17 17 LEU N N 17 116.100 116.100 119.390 -3.291 25493 59 1 . 1 1 17 17 LEU HA H 17 4.000 4.000 4.085 -0.085 25493 60 1 . 1 1 17 17 LEU C C 17 179.400 179.400 178.852 0.548 25493 61 1 . 1 1 17 17 LEU CA C 17 57.600 57.600 57.696 -0.096 25493 62 1 . 1 1 17 17 LEU CB C 17 41.700 41.700 41.395 0.305 25493 63 1 . 1 1 17 17 LEU H H 17 8.310 8.310 8.312 -0.002 25493 64 1 . 1 1 18 18 GLN N N 18 114.300 114.300 115.969 -1.669 25493 65 1 . 1 1 18 18 GLN HA H 18 4.240 4.240 4.164 0.076 25493 66 1 . 1 1 18 18 GLN C C 18 176.700 176.700 177.528 -0.828 25493 67 1 . 1 1 18 18 GLN CA C 18 57.000 57.000 57.051 -0.051 25493 68 1 . 1 1 18 18 GLN CB C 18 28.800 28.800 28.059 0.741 25493 69 1 . 1 1 18 18 GLN H H 18 7.460 7.460 7.972 -0.512 25493 70 1 . 1 1 19 19 ALA N N 19 120.800 120.800 121.029 -0.229 25493 71 1 . 1 1 19 19 ALA HA H 19 4.490 4.490 4.229 0.261 25493 72 1 . 1 1 19 19 ALA C C 19 176.000 176.000 177.321 -1.321 25493 73 1 . 1 1 19 19 ALA CA C 19 52.600 52.600 53.769 -1.169 25493 74 1 . 1 1 19 19 ALA CB C 19 22.100 22.100 19.175 2.926 25493 75 1 . 1 1 19 19 ALA H H 19 7.770 7.770 7.678 0.092 25493 76 1 . 1 1 20 20 ILE N N 20 113.500 113.500 111.906 1.594 25493 77 1 . 1 1 20 20 ILE HA H 20 5.200 5.200 4.615 0.585 25493 78 1 . 1 1 20 20 ILE C C 20 173.600 173.600 174.296 -0.696 25493 79 1 . 1 1 20 20 ILE CA C 20 59.200 59.200 58.983 0.217 25493 80 1 . 1 1 20 20 ILE CB C 20 41.800 41.800 39.885 1.915 25493 81 1 . 1 1 20 20 ILE H H 20 7.360 7.360 7.314 0.046 25493 82 1 . 1 1 21 21 ASP N N 21 122.500 122.500 119.050 3.450 25493 83 1 . 1 1 21 21 ASP HA H 21 4.980 4.980 5.012 -0.032 25493 84 1 . 1 1 21 21 ASP CA C 21 52.100 52.100 51.869 0.231 25493 85 1 . 1 1 21 21 ASP CB C 21 41.200 41.200 41.369 -0.169 25493 86 1 . 1 1 21 21 ASP H H 21 8.530 8.530 8.366 0.164 25493 87 1 . 1 1 22 22 PRO HA H 22 4.450 4.450 4.445 0.005 25493 88 1 . 1 1 22 22 PRO C C 22 177.500 177.500 176.654 0.846 25493 89 1 . 1 1 22 22 PRO CA C 22 65.200 65.200 63.927 1.273 25493 90 1 . 1 1 22 22 PRO CB C 22 31.900 31.900 31.732 0.168 25493 91 1 . 1 1 23 23 GLN N N 23 115.900 115.900 118.718 -2.818 25493 92 1 . 1 1 23 23 GLN HA H 23 4.420 4.420 4.322 0.098 25493 93 1 . 1 1 23 23 GLN C C 23 174.800 174.800 175.840 -1.040 25493 94 1 . 1 1 23 23 GLN CA C 23 55.400 55.400 57.387 -1.987 25493 95 1 . 1 1 23 23 GLN CB C 23 28.700 28.700 30.165 -1.465 25493 96 1 . 1 1 23 23 GLN H H 23 7.950 7.950 8.081 -0.131 25493 97 1 . 1 1 24 24 SER N N 24 107.900 107.900 108.120 -0.220 25493 98 1 . 1 1 24 24 SER HA H 24 3.730 3.730 4.599 -0.869 25493 99 1 . 1 1 24 24 SER C C 24 173.200 173.200 173.970 -0.770 25493 100 1 . 1 1 24 24 SER CA C 24 60.300 60.300 57.563 2.737 25493 101 1 . 1 1 24 24 SER CB C 24 60.300 60.300 64.333 -4.033 25493 102 1 . 1 1 24 24 SER H H 24 8.270 8.270 8.090 0.180 25493 103 1 . 1 1 25 25 ASN N N 25 117.000 117.000 121.897 -4.897 25493 104 1 . 1 1 25 25 ASN HA H 25 4.530 4.530 4.774 -0.244 25493 105 1 . 1 1 25 25 ASN C C 25 175.600 175.600 174.834 0.766 25493 106 1 . 1 1 25 25 ASN CA C 25 52.800 52.800 53.831 -1.031 25493 107 1 . 1 1 25 25 ASN CB C 25 38.500 38.500 39.526 -1.026 25493 108 1 . 1 1 25 25 ASN H H 25 8.500 8.500 7.813 0.687 25493 109 1 . 1 1 26 26 ILE N N 26 122.400 122.400 117.989 4.410 25493 110 1 . 1 1 26 26 ILE HA H 26 3.820 3.820 4.187 -0.367 25493 111 1 . 1 1 26 26 ILE C C 26 176.400 176.400 176.743 -0.343 25493 112 1 . 1 1 26 26 ILE CA C 26 63.600 63.600 61.237 2.363 25493 113 1 . 1 1 26 26 ILE CB C 26 38.600 38.600 39.278 -0.678 25493 114 1 . 1 1 26 26 ILE H H 26 8.890 8.890 8.481 0.409 25493 115 1 . 1 1 27 27 ARG N N 27 127.600 127.600 117.929 9.671 25493 116 1 . 1 1 27 27 ARG HA H 27 4.530 4.530 3.875 0.655 25493 117 1 . 1 1 27 27 ARG C C 27 176.000 176.000 176.430 -0.430 25493 118 1 . 1 1 27 27 ARG CA C 27 56.500 56.500 58.911 -2.411 25493 119 1 . 1 1 27 27 ARG CB C 27 31.400 31.400 28.944 2.456 25493 120 1 . 1 1 27 27 ARG H H 27 9.070 9.070 8.482 0.588 25493 121 1 . 1 1 28 28 ASN N N 28 117.300 117.300 118.727 -1.427 25493 122 1 . 1 1 28 28 ASN HA H 28 4.930 4.930 4.948 -0.018 25493 123 1 . 1 1 28 28 ASN C C 28 174.300 174.300 175.174 -0.874 25493 124 1 . 1 1 28 28 ASN CA C 28 51.600 51.600 51.902 -0.302 25493 125 1 . 1 1 28 28 ASN CB C 28 39.000 39.000 38.549 0.451 25493 126 1 . 1 1 28 28 ASN H H 28 7.510 7.510 8.350 -0.840 25493 127 1 . 1 1 29 29 MET N N 29 125.700 125.700 123.027 2.673 25493 128 1 . 1 1 29 29 MET HA H 29 4.190 4.190 4.161 0.029 25493 129 1 . 1 1 29 29 MET C C 29 177.300 177.300 176.886 0.414 25493 130 1 . 1 1 29 29 MET CA C 29 57.600 57.600 59.001 -1.401 25493 131 1 . 1 1 29 29 MET CB C 29 31.400 31.400 32.790 -1.390 25493 132 1 . 1 1 29 29 MET H H 29 8.940 8.940 8.382 0.558 25493 133 1 . 1 1 30 30 VAL N N 30 118.600 118.600 116.402 2.198 25493 134 1 . 1 1 30 30 VAL HA H 30 3.520 3.520 3.779 -0.259 25493 135 1 . 1 1 30 30 VAL C C 30 178.800 178.800 176.754 2.046 25493 136 1 . 1 1 30 30 VAL CA C 30 66.900 66.900 64.707 2.193 25493 137 1 . 1 1 30 30 VAL CB C 30 31.500 31.500 31.097 0.403 25493 138 1 . 1 1 30 30 VAL H H 30 7.910 7.910 7.842 0.068 25493 139 1 . 1 1 31 31 ALA N N 31 120.600 120.600 121.602 -1.002 25493 140 1 . 1 1 31 31 ALA HA H 31 4.130 4.130 4.274 -0.144 25493 141 1 . 1 1 31 31 ALA C C 31 180.300 180.300 179.235 1.065 25493 142 1 . 1 1 31 31 ALA CA C 31 54.300 54.300 54.677 -0.377 25493 143 1 . 1 1 31 31 ALA CB C 31 18.900 18.900 18.792 0.108 25493 144 1 . 1 1 31 31 ALA H H 31 7.270 7.270 7.918 -0.648 25493 145 1 . 1 1 32 32 VAL N N 32 117.900 117.900 118.189 -0.289 25493 146 1 . 1 1 32 32 VAL HA H 32 3.380 3.380 3.885 -0.505 25493 147 1 . 1 1 32 32 VAL C C 32 177.700 177.700 176.828 0.871 25493 148 1 . 1 1 32 32 VAL CA C 32 67.700 67.700 64.347 3.353 25493 149 1 . 1 1 32 32 VAL CB C 32 30.900 30.900 32.063 -1.163 25493 150 1 . 1 1 32 32 VAL H H 32 7.640 7.640 7.450 0.190 25493 151 1 . 1 1 33 33 LEU N N 33 119.900 119.900 119.998 -0.098 25493 152 1 . 1 1 33 33 LEU HA H 33 3.910 3.910 4.240 -0.331 25493 153 1 . 1 1 33 33 LEU C C 33 179.900 179.900 178.446 1.454 25493 154 1 . 1 1 33 33 LEU CA C 33 58.300 58.300 57.162 1.138 25493 155 1 . 1 1 33 33 LEU CB C 33 40.700 40.700 41.596 -0.896 25493 156 1 . 1 1 33 33 LEU H H 33 8.450 8.450 8.095 0.355 25493 157 1 . 1 1 34 34 GLU N N 34 121.200 121.200 120.181 1.019 25493 158 1 . 1 1 34 34 GLU HA H 34 4.060 4.060 4.070 -0.010 25493 159 1 . 1 1 34 34 GLU C C 34 179.800 179.800 178.967 0.833 25493 160 1 . 1 1 34 34 GLU CA C 34 59.800 59.800 59.560 0.240 25493 161 1 . 1 1 34 34 GLU CB C 34 29.300 29.300 29.410 -0.110 25493 162 1 . 1 1 34 34 GLU H H 34 8.080 8.080 7.887 0.194 25493 163 1 . 1 1 35 35 VAL N N 35 122.400 122.400 119.911 2.489 25493 164 1 . 1 1 35 35 VAL HA H 35 3.600 3.600 3.815 -0.215 25493 165 1 . 1 1 35 35 VAL C C 35 177.900 177.900 177.205 0.695 25493 166 1 . 1 1 35 35 VAL CA C 35 67.100 67.100 65.803 1.297 25493 167 1 . 1 1 35 35 VAL CB C 35 30.900 30.900 31.701 -0.801 25493 168 1 . 1 1 35 35 VAL H H 35 8.060 8.060 7.468 0.592 25493 169 1 . 1 1 36 36 ILE N N 36 119.800 119.800 119.716 0.084 25493 170 1 . 1 1 36 36 ILE HA H 36 3.560 3.560 3.835 -0.275 25493 171 1 . 1 1 36 36 ILE C C 36 177.500 177.500 178.179 -0.679 25493 172 1 . 1 1 36 36 ILE CA C 36 64.200 64.200 64.180 0.020 25493 173 1 . 1 1 36 36 ILE CB C 36 36.300 36.300 36.587 -0.287 25493 174 1 . 1 1 36 36 ILE H H 36 8.420 8.420 7.390 1.030 25493 175 1 . 1 1 37 37 SER N N 37 114.700 114.700 113.854 0.846 25493 176 1 . 1 1 37 37 SER HA H 37 4.290 4.290 4.247 0.043 25493 177 1 . 1 1 37 37 SER C C 37 177.300 177.300 175.399 1.900 25493 178 1 . 1 1 37 37 SER CA C 37 61.900 61.900 60.465 1.435 25493 179 1 . 1 1 37 37 SER CB C 37 63.100 63.100 62.779 0.321 25493 180 1 . 1 1 37 37 SER H H 37 8.430 8.430 8.123 0.307 25493 181 1 . 1 1 38 38 SER N N 38 117.200 117.200 116.668 0.532 25493 182 1 . 1 1 38 38 SER HA H 38 4.290 4.290 4.499 -0.209 25493 183 1 . 1 1 38 38 SER C C 38 176.700 176.700 176.345 0.355 25493 184 1 . 1 1 38 38 SER CA C 38 62.500 62.500 60.945 1.555 25493 185 1 . 1 1 38 38 SER CB C 38 63.100 63.100 63.973 -0.873 25493 186 1 . 1 1 38 38 SER H H 38 8.200 8.200 7.590 0.610 25493 187 1 . 1 1 39 39 LEU N N 39 121.600 121.600 122.632 -1.032 25493 188 1 . 1 1 39 39 LEU HA H 39 4.370 4.370 4.236 0.134 25493 189 1 . 1 1 39 39 LEU C C 39 178.700 178.700 178.666 0.034 25493 190 1 . 1 1 39 39 LEU CA C 39 57.100 57.100 57.554 -0.454 25493 191 1 . 1 1 39 39 LEU CB C 39 42.800 42.800 41.683 1.117 25493 192 1 . 1 1 39 39 LEU H H 39 8.150 8.150 8.575 -0.425 25493 193 1 . 1 1 40 40 GLU N N 40 118.600 118.600 117.869 0.731 25493 194 1 . 1 1 40 40 GLU HA H 40 3.900 3.900 4.250 -0.350 25493 195 1 . 1 1 40 40 GLU C C 40 178.100 178.100 177.148 0.952 25493 196 1 . 1 1 40 40 GLU CA C 40 58.700 58.700 58.515 0.185 25493 197 1 . 1 1 40 40 GLU CB C 40 30.300 30.300 29.391 0.909 25493 198 1 . 1 1 40 40 GLU H H 40 8.190 8.190 8.372 -0.182 25493 199 1 . 1 1 41 41 LYS N N 41 116.300 116.300 115.589 0.711 25493 200 1 . 1 1 41 41 LYS HA H 41 4.230 4.230 4.459 -0.229 25493 201 1 . 1 1 41 41 LYS C C 41 175.800 175.800 175.841 -0.041 25493 202 1 . 1 1 41 41 LYS CA C 41 56.600 56.600 55.729 0.871 25493 203 1 . 1 1 41 41 LYS CB C 41 33.600 33.600 33.157 0.443 25493 204 1 . 1 1 41 41 LYS H H 41 7.440 7.440 7.690 -0.250 25493 205 1 . 1 1 42 42 TYR N N 42 121.400 121.400 124.323 -2.923 25493 206 1 . 1 1 42 42 TYR HA H 42 4.860 4.860 4.788 0.072 25493 207 1 . 1 1 42 42 TYR CA C 42 55.400 55.400 55.571 -0.171 25493 208 1 . 1 1 42 42 TYR CB C 42 39.600 39.600 40.191 -0.591 25493 209 1 . 1 1 42 42 TYR H H 42 7.730 7.730 7.935 -0.205 25493 210 1 . 1 1 43 43 PRO HA H 43 4.760 4.760 4.559 0.201 25493 211 1 . 1 1 43 43 PRO C C 43 175.800 175.800 175.627 0.173 25493 212 1 . 1 1 43 43 PRO CA C 43 62.500 62.500 62.627 -0.127 25493 213 1 . 1 1 43 43 PRO CB C 43 30.300 30.300 30.655 -0.355 25493 214 1 . 1 1 44 44 ILE N N 44 124.000 124.000 124.868 -0.869 25493 215 1 . 1 1 44 44 ILE HA H 44 4.470 4.470 4.085 0.385 25493 216 1 . 1 1 44 44 ILE C C 44 174.300 174.300 176.215 -1.915 25493 217 1 . 1 1 44 44 ILE CA C 44 60.300 60.300 61.337 -1.037 25493 218 1 . 1 1 44 44 ILE CB C 44 40.700 40.700 37.828 2.872 25493 219 1 . 1 1 44 44 ILE H H 44 8.200 8.200 7.857 0.343 25493 220 1 . 1 1 45 45 THR N N 45 112.200 112.200 116.212 -4.011 25493 221 1 . 1 1 45 45 THR HA H 45 4.530 4.530 4.705 -0.175 25493 222 1 . 1 1 45 45 THR C C 45 175.100 175.100 175.102 -0.002 25493 223 1 . 1 1 45 45 THR CA C 45 59.800 59.800 60.030 -0.230 25493 224 1 . 1 1 45 45 THR CB C 45 72.300 72.300 71.212 1.088 25493 225 1 . 1 1 45 45 THR H H 45 7.330 7.330 7.884 -0.554 25493 226 1 . 1 1 46 46 LYS N N 46 121.500 121.500 124.239 -2.739 25493 227 1 . 1 1 46 46 LYS HA H 46 3.740 3.740 3.853 -0.113 25493 228 1 . 1 1 46 46 LYS C C 46 178.200 178.200 178.539 -0.339 25493 229 1 . 1 1 46 46 LYS CA C 46 60.000 60.000 59.417 0.583 25493 230 1 . 1 1 46 46 LYS CB C 46 32.500 32.500 31.890 0.610 25493 231 1 . 1 1 46 46 LYS H H 46 9.090 9.090 8.825 0.265 25493 232 1 . 1 1 47 47 GLU N N 47 118.400 118.400 118.975 -0.575 25493 233 1 . 1 1 47 47 GLU HA H 47 4.020 4.020 4.057 -0.037 25493 234 1 . 1 1 47 47 GLU C C 47 179.000 179.000 177.766 1.234 25493 235 1 . 1 1 47 47 GLU CA C 47 60.800 60.800 58.996 1.804 25493 236 1 . 1 1 47 47 GLU CB C 47 28.700 28.700 29.254 -0.554 25493 237 1 . 1 1 47 47 GLU H H 47 9.010 9.010 8.723 0.287 25493 238 1 . 1 1 48 48 ALA N N 48 122.300 122.300 120.547 1.753 25493 239 1 . 1 1 48 48 ALA HA H 48 4.270 4.270 4.280 -0.010 25493 240 1 . 1 1 48 48 ALA C C 48 181.900 181.900 179.089 2.811 25493 241 1 . 1 1 48 48 ALA CA C 48 54.900 54.900 53.815 1.085 25493 242 1 . 1 1 48 48 ALA CB C 48 18.800 18.800 19.698 -0.898 25493 243 1 . 1 1 48 48 ALA H H 48 7.860 7.860 7.572 0.288 25493 244 1 . 1 1 49 49 LEU N N 49 122.200 122.200 121.896 0.304 25493 245 1 . 1 1 49 49 LEU HA H 49 3.580 3.580 4.074 -0.494 25493 246 1 . 1 1 49 49 LEU C C 49 179.800 179.800 178.157 1.643 25493 247 1 . 1 1 49 49 LEU CA C 49 58.700 58.700 57.679 1.021 25493 248 1 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.489 -0.189 25493 249 1 . 1 1 49 49 LEU H H 49 8.260 8.260 8.196 0.064 25493 250 1 . 1 1 50 50 GLU N N 50 120.400 120.400 117.471 2.929 25493 251 1 . 1 1 50 50 GLU HA H 50 4.040 4.040 4.017 0.023 25493 252 1 . 1 1 50 50 GLU C C 50 178.900 178.900 178.468 0.432 25493 253 1 . 1 1 50 50 GLU CA C 50 59.200 59.200 59.032 0.168 25493 254 1 . 1 1 50 50 GLU CB C 50 29.200 29.200 29.134 0.066 25493 255 1 . 1 1 50 50 GLU H H 50 8.120 8.120 8.381 -0.261 25493 256 1 . 1 1 51 51 GLU N N 51 118.500 118.500 119.776 -1.276 25493 257 1 . 1 1 51 51 GLU HA H 51 4.050 4.050 4.181 -0.131 25493 258 1 . 1 1 51 51 GLU C C 51 178.800 178.800 178.199 0.601 25493 259 1 . 1 1 51 51 GLU CA C 51 59.200 59.200 58.490 0.710 25493 260 1 . 1 1 51 51 GLU CB C 51 30.300 30.300 29.682 0.618 25493 261 1 . 1 1 51 51 GLU H H 51 8.200 8.200 8.125 0.075 25493 262 1 . 1 1 52 52 THR N N 52 104.700 104.700 110.008 -5.308 25493 263 1 . 1 1 52 52 THR HA H 52 4.090 4.090 4.321 -0.231 25493 264 1 . 1 1 52 52 THR C C 52 175.400 175.400 175.013 0.387 25493 265 1 . 1 1 52 52 THR CA C 52 63.100 63.100 62.388 0.712 25493 266 1 . 1 1 52 52 THR CB C 52 71.800 71.800 69.335 2.465 25493 267 1 . 1 1 52 52 THR H H 52 7.840 7.840 8.028 -0.188 25493 268 1 . 1 1 53 53 ARG N N 53 114.400 114.400 118.381 -3.981 25493 269 1 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.939 0.171 25493 270 1 . 1 1 53 53 ARG C C 53 177.200 177.200 176.097 1.103 25493 271 1 . 1 1 53 53 ARG CA C 53 57.300 57.300 56.880 0.420 25493 272 1 . 1 1 53 53 ARG CB C 53 27.500 27.500 27.495 0.005 25493 273 1 . 1 1 53 53 ARG H H 53 7.680 7.680 7.677 0.003 25493 274 1 . 1 1 54 54 LEU N N 54 117.200 117.200 119.513 -2.313 25493 275 1 . 1 1 54 54 LEU HA H 54 3.810 3.810 4.129 -0.319 25493 276 1 . 1 1 54 54 LEU C C 54 178.200 178.200 178.020 0.180 25493 277 1 . 1 1 54 54 LEU CA C 54 58.700 58.700 57.792 0.908 25493 278 1 . 1 1 54 54 LEU CB C 54 43.400 43.400 41.567 1.832 25493 279 1 . 1 1 54 54 LEU H H 54 7.460 7.460 7.634 -0.174 25493 280 1 . 1 1 55 55 GLY N N 55 105.900 105.900 105.788 0.112 25493 281 1 . 1 1 55 55 GLY C C 55 175.500 175.500 175.692 -0.192 25493 282 1 . 1 1 55 55 GLY CA C 55 47.200 47.200 47.007 0.193 25493 283 1 . 1 1 55 55 GLY H H 55 8.650 8.650 8.340 0.310 25493 284 1 . 1 1 56 56 LYS N N 56 123.300 123.300 121.760 1.540 25493 285 1 . 1 1 56 56 LYS HA H 56 4.110 4.110 4.061 0.049 25493 286 1 . 1 1 56 56 LYS C C 56 178.300 178.300 178.367 -0.067 25493 287 1 . 1 1 56 56 LYS CA C 56 59.200 59.200 58.695 0.505 25493 288 1 . 1 1 56 56 LYS CB C 56 32.500 32.500 32.104 0.396 25493 289 1 . 1 1 56 56 LYS H H 56 7.210 7.210 7.765 -0.555 25493 290 1 . 1 1 57 57 LEU N N 57 117.700 117.700 119.754 -2.054 25493 291 1 . 1 1 57 57 LEU HA H 57 4.180 4.180 4.142 0.038 25493 292 1 . 1 1 57 57 LEU C C 57 179.600 179.600 178.630 0.970 25493 293 1 . 1 1 57 57 LEU CA C 57 57.700 57.700 57.676 0.024 25493 294 1 . 1 1 57 57 LEU CB C 57 43.400 43.400 42.144 1.256 25493 295 1 . 1 1 57 57 LEU H H 57 7.900 7.900 7.679 0.221 25493 296 1 . 1 1 58 58 ILE N N 58 116.600 116.600 119.096 -2.496 25493 297 1 . 1 1 58 58 ILE HA H 58 3.680 3.680 3.745 -0.065 25493 298 1 . 1 1 58 58 ILE C C 58 177.900 177.900 178.055 -0.155 25493 299 1 . 1 1 58 58 ILE CA C 58 63.100 63.100 63.925 -0.825 25493 300 1 . 1 1 58 58 ILE CB C 58 35.800 35.800 36.714 -0.914 25493 301 1 . 1 1 58 58 ILE H H 58 8.640 8.640 7.877 0.763 25493 302 1 . 1 1 59 59 ASN N N 59 119.600 119.600 118.261 1.339 25493 303 1 . 1 1 59 59 ASN HA H 59 4.370 4.370 4.523 -0.153 25493 304 1 . 1 1 59 59 ASN C C 59 176.700 176.700 176.310 0.390 25493 305 1 . 1 1 59 59 ASN CA C 59 57.000 57.000 56.077 0.923 25493 306 1 . 1 1 59 59 ASN CB C 59 38.500 38.500 38.295 0.205 25493 307 1 . 1 1 59 59 ASN H H 59 8.120 8.120 8.440 -0.320 25493 308 1 . 1 1 60 60 ASP N N 60 119.600 119.600 119.839 -0.239 25493 309 1 . 1 1 60 60 ASP HA H 60 4.380 4.380 4.627 -0.247 25493 310 1 . 1 1 60 60 ASP C C 60 179.400 179.400 178.238 1.162 25493 311 1 . 1 1 60 60 ASP CA C 60 57.600 57.600 56.756 0.844 25493 312 1 . 1 1 60 60 ASP CB C 60 39.600 39.600 41.700 -2.100 25493 313 1 . 1 1 60 60 ASP H H 60 8.490 8.490 7.625 0.865 25493 314 1 . 1 1 61 61 VAL N N 61 118.700 118.700 122.012 -3.312 25493 315 1 . 1 1 61 61 VAL HA H 61 3.750 3.750 3.902 -0.152 25493 316 1 . 1 1 61 61 VAL C C 61 179.000 179.000 177.004 1.996 25493 317 1 . 1 1 61 61 VAL CA C 61 65.800 65.800 65.242 0.558 25493 318 1 . 1 1 61 61 VAL CB C 61 32.500 32.500 31.944 0.556 25493 319 1 . 1 1 61 61 VAL H H 61 7.930 7.930 8.209 -0.279 25493 320 1 . 1 1 62 62 ARG N N 62 120.900 120.900 117.239 3.661 25493 321 1 . 1 1 62 62 ARG HA H 62 3.650 3.650 4.193 -0.543 25493 322 1 . 1 1 62 62 ARG C C 62 177.100 177.100 176.973 0.127 25493 323 1 . 1 1 62 62 ARG CA C 62 59.200 59.200 58.069 1.131 25493 324 1 . 1 1 62 62 ARG CB C 62 29.800 29.800 29.817 -0.017 25493 325 1 . 1 1 62 62 ARG H H 62 8.620 8.620 7.720 0.900 25493 326 1 . 1 1 63 63 LYS N N 63 115.700 115.700 117.698 -1.998 25493 327 1 . 1 1 63 63 LYS HA H 63 3.930 3.930 4.291 -0.361 25493 328 1 . 1 1 63 63 LYS C C 63 177.600 177.600 177.776 -0.176 25493 329 1 . 1 1 63 63 LYS CA C 63 59.200 59.200 57.438 1.762 25493 330 1 . 1 1 63 63 LYS CB C 63 33.000 33.000 32.352 0.648 25493 331 1 . 1 1 63 63 LYS H H 63 7.940 7.940 7.584 0.356 25493 332 1 . 1 1 64 64 LYS N N 64 115.300 115.300 119.314 -4.014 25493 333 1 . 1 1 64 64 LYS HA H 64 4.430 4.430 4.284 0.146 25493 334 1 . 1 1 64 64 LYS C C 64 176.900 176.900 177.080 -0.180 25493 335 1 . 1 1 64 64 LYS CA C 64 55.400 55.400 57.675 -2.275 25493 336 1 . 1 1 64 64 LYS CB C 64 34.100 34.100 33.664 0.436 25493 337 1 . 1 1 64 64 LYS H H 64 7.130 7.130 7.809 -0.679 25493 338 1 . 1 1 65 65 THR N N 65 113.500 113.500 112.817 0.683 25493 339 1 . 1 1 65 65 THR HA H 65 4.520 4.520 4.530 -0.010 25493 340 1 . 1 1 65 65 THR C C 65 173.200 173.200 172.922 0.278 25493 341 1 . 1 1 65 65 THR CA C 65 62.000 62.000 61.081 0.919 25493 342 1 . 1 1 65 65 THR CB C 65 69.600 69.600 70.368 -0.768 25493 343 1 . 1 1 65 65 THR H H 65 7.250 7.250 7.864 -0.614 25493 344 1 . 1 1 66 66 LYS N N 66 125.700 125.700 122.362 3.338 25493 345 1 . 1 1 66 66 LYS HA H 66 4.510 4.510 4.479 0.031 25493 346 1 . 1 1 66 66 LYS C C 66 175.900 175.900 175.350 0.549 25493 347 1 . 1 1 66 66 LYS CA C 66 55.400 55.400 55.357 0.043 25493 348 1 . 1 1 66 66 LYS CB C 66 32.000 32.000 32.041 -0.041 25493 349 1 . 1 1 66 66 LYS H H 66 8.500 8.500 8.414 0.086 25493 350 1 . 1 1 67 67 ASN N N 67 122.100 122.100 121.566 0.534 25493 351 1 . 1 1 67 67 ASN HA H 67 4.690 4.690 4.595 0.095 25493 352 1 . 1 1 67 67 ASN C C 67 174.400 174.400 176.168 -1.768 25493 353 1 . 1 1 67 67 ASN CA C 67 53.200 53.200 53.293 -0.093 25493 354 1 . 1 1 67 67 ASN CB C 67 39.000 39.000 38.944 0.056 25493 355 1 . 1 1 67 67 ASN H H 67 8.570 8.570 8.418 0.152 25493 356 1 . 1 1 68 68 GLU N N 68 128.400 128.400 122.703 5.697 25493 357 1 . 1 1 68 68 GLU HA H 68 3.990 3.990 3.985 0.005 25493 358 1 . 1 1 68 68 GLU C C 68 178.500 178.500 177.116 1.384 25493 359 1 . 1 1 68 68 GLU CA C 68 59.300 59.300 59.199 0.101 25493 360 1 . 1 1 68 68 GLU CB C 68 29.800 29.800 29.453 0.347 25493 361 1 . 1 1 68 68 GLU H H 68 8.850 8.850 8.753 0.097 25493 362 1 . 1 1 69 69 GLU N N 69 120.300 120.300 118.261 2.040 25493 363 1 . 1 1 69 69 GLU HA H 69 4.030 4.030 4.339 -0.309 25493 364 1 . 1 1 69 69 GLU C C 69 179.000 179.000 177.856 1.144 25493 365 1 . 1 1 69 69 GLU CA C 69 59.200 59.200 57.234 1.966 25493 366 1 . 1 1 69 69 GLU CB C 69 29.200 29.200 29.946 -0.746 25493 367 1 . 1 1 69 69 GLU H H 69 8.190 8.190 8.264 -0.074 25493 368 1 . 1 1 70 70 LEU N N 70 121.300 121.300 121.832 -0.532 25493 369 1 . 1 1 70 70 LEU HA H 70 3.870 3.870 4.130 -0.260 25493 370 1 . 1 1 70 70 LEU C C 70 178.500 178.500 178.271 0.229 25493 371 1 . 1 1 70 70 LEU CA C 70 58.200 58.200 57.061 1.139 25493 372 1 . 1 1 70 70 LEU CB C 70 40.700 40.700 41.738 -1.038 25493 373 1 . 1 1 70 70 LEU H H 70 8.120 8.120 7.942 0.178 25493 374 1 . 1 1 71 71 ALA N N 71 121.000 121.000 120.563 0.437 25493 375 1 . 1 1 71 71 ALA HA H 71 3.740 3.740 3.933 -0.193 25493 376 1 . 1 1 71 71 ALA C C 71 180.100 180.100 178.298 1.802 25493 377 1 . 1 1 71 71 ALA CA C 71 56.500 56.500 55.277 1.223 25493 378 1 . 1 1 71 71 ALA CB C 71 17.700 17.700 18.581 -0.881 25493 379 1 . 1 1 71 71 ALA H H 71 8.330 8.330 8.579 -0.249 25493 380 1 . 1 1 72 72 LYS N N 72 118.200 118.200 115.107 3.093 25493 381 1 . 1 1 72 72 LYS HA H 72 3.960 3.960 4.394 -0.434 25493 382 1 . 1 1 72 72 LYS C C 72 179.800 179.800 178.577 1.223 25493 383 1 . 1 1 72 72 LYS CA C 72 59.800 59.800 57.567 2.233 25493 384 1 . 1 1 72 72 LYS CB C 72 32.500 32.500 32.355 0.145 25493 385 1 . 1 1 72 72 LYS H H 72 8.150 8.150 7.645 0.505 25493 386 1 . 1 1 73 73 ARG N N 73 120.600 120.600 121.248 -0.648 25493 387 1 . 1 1 73 73 ARG HA H 73 3.990 3.990 4.134 -0.144 25493 388 1 . 1 1 73 73 ARG C C 73 180.100 180.100 178.008 2.092 25493 389 1 . 1 1 73 73 ARG CA C 73 59.300 59.300 58.790 0.510 25493 390 1 . 1 1 73 73 ARG CB C 73 32.000 32.000 30.185 1.815 25493 391 1 . 1 1 73 73 ARG H H 73 8.140 8.140 8.548 -0.408 25493 392 1 . 1 1 74 74 ALA N N 74 121.700 121.700 121.735 -0.035 25493 393 1 . 1 1 74 74 ALA HA H 74 3.780 3.780 4.112 -0.332 25493 394 1 . 1 1 74 74 ALA C C 74 178.100 178.100 179.172 -1.072 25493 395 1 . 1 1 74 74 ALA CA C 74 54.900 54.900 55.191 -0.291 25493 396 1 . 1 1 74 74 ALA CB C 74 17.200 17.200 18.304 -1.104 25493 397 1 . 1 1 74 74 ALA H H 74 8.970 8.970 8.066 0.904 25493 398 1 . 1 1 75 75 LYS N N 75 117.900 117.900 116.783 1.117 25493 399 1 . 1 1 75 75 LYS HA H 75 3.740 3.740 4.190 -0.450 25493 400 1 . 1 1 75 75 LYS C C 75 178.300 178.300 178.098 0.202 25493 401 1 . 1 1 75 75 LYS CA C 75 60.300 60.300 57.985 2.315 25493 402 1 . 1 1 75 75 LYS CB C 75 32.500 32.500 32.406 0.094 25493 403 1 . 1 1 75 75 LYS H H 75 8.200 8.200 7.787 0.413 25493 404 1 . 1 1 76 76 LYS N N 76 118.800 118.800 119.720 -0.920 25493 405 1 . 1 1 76 76 LYS HA H 76 3.890 3.890 4.098 -0.208 25493 406 1 . 1 1 76 76 LYS C C 76 179.200 179.200 178.338 0.862 25493 407 1 . 1 1 76 76 LYS CA C 76 59.800 59.800 58.597 1.203 25493 408 1 . 1 1 76 76 LYS CB C 76 32.400 32.400 32.654 -0.254 25493 409 1 . 1 1 76 76 LYS H H 76 7.630 7.630 7.488 0.142 25493 410 1 . 1 1 77 77 LEU N N 77 121.400 121.400 120.020 1.380 25493 411 1 . 1 1 77 77 LEU HA H 77 3.630 3.630 3.958 -0.328 25493 412 1 . 1 1 77 77 LEU C C 77 178.200 178.200 178.542 -0.342 25493 413 1 . 1 1 77 77 LEU CA C 77 57.600 57.600 56.863 0.737 25493 414 1 . 1 1 77 77 LEU CB C 77 41.800 41.800 42.214 -0.414 25493 415 1 . 1 1 77 77 LEU H H 77 7.430 7.430 8.018 -0.588 25493 416 1 . 1 1 78 78 LEU N N 78 117.600 117.600 120.014 -2.414 25493 417 1 . 1 1 78 78 LEU HA H 78 3.760 3.760 3.729 0.031 25493 418 1 . 1 1 78 78 LEU C C 78 180.300 180.300 178.564 1.736 25493 419 1 . 1 1 78 78 LEU CA C 78 58.100 58.100 57.764 0.336 25493 420 1 . 1 1 78 78 LEU CB C 78 41.200 41.200 40.947 0.253 25493 421 1 . 1 1 78 78 LEU H H 78 7.960 7.960 7.983 -0.023 25493 422 1 . 1 1 79 79 ARG N N 79 119.800 119.800 117.263 2.537 25493 423 1 . 1 1 79 79 ARG HA H 79 4.110 4.110 3.905 0.205 25493 424 1 . 1 1 79 79 ARG C C 79 179.500 179.500 178.222 1.278 25493 425 1 . 1 1 79 79 ARG CA C 79 59.200 59.200 58.546 0.654 25493 426 1 . 1 1 79 79 ARG CB C 79 29.700 29.700 29.484 0.216 25493 427 1 . 1 1 79 79 ARG H H 79 8.110 8.110 7.878 0.232 25493 428 1 . 1 1 80 80 SER N N 80 117.800 117.800 114.429 3.371 25493 429 1 . 1 1 80 80 SER HA H 80 4.310 4.310 4.125 0.185 25493 430 1 . 1 1 80 80 SER C C 80 177.000 177.000 174.918 2.082 25493 431 1 . 1 1 80 80 SER CA C 80 61.500 61.500 60.155 1.345 25493 432 1 . 1 1 80 80 SER CB C 80 62.500 62.500 62.987 -0.487 25493 433 1 . 1 1 80 80 SER H H 80 7.870 7.870 7.350 0.520 25493 434 1 . 1 1 81 81 TRP N N 81 123.300 123.300 117.033 6.267 25493 435 1 . 1 1 81 81 TRP HA H 81 4.810 4.810 5.012 -0.202 25493 436 1 . 1 1 81 81 TRP C C 81 178.200 178.200 177.094 1.106 25493 437 1 . 1 1 81 81 TRP CA C 81 56.500 56.500 55.923 0.577 25493 438 1 . 1 1 81 81 TRP CB C 81 29.200 29.200 28.657 0.543 25493 439 1 . 1 1 81 81 TRP H H 81 8.010 8.010 7.110 0.900 25493 440 1 . 1 1 82 82 GLN N N 82 120.400 120.400 122.642 -2.242 25493 441 1 . 1 1 82 82 GLN HA H 82 4.080 4.080 4.038 0.042 25493 442 1 . 1 1 82 82 GLN C C 82 177.600 177.600 176.906 0.694 25493 443 1 . 1 1 82 82 GLN CA C 82 59.200 59.200 59.190 0.010 25493 444 1 . 1 1 82 82 GLN CB C 82 28.200 28.200 28.318 -0.118 25493 445 1 . 1 1 82 82 GLN H H 82 8.080 8.080 8.040 0.040 25493 446 1 . 1 1 83 83 LYS N N 83 115.600 115.600 117.336 -1.736 25493 447 1 . 1 1 83 83 LYS HA H 83 4.220 4.220 4.182 0.038 25493 448 1 . 1 1 83 83 LYS C C 83 177.400 177.400 177.147 0.253 25493 449 1 . 1 1 83 83 LYS CA C 83 57.600 57.600 58.140 -0.540 25493 450 1 . 1 1 83 83 LYS CB C 83 32.500 32.500 31.971 0.529 25493 451 1 . 1 1 83 83 LYS H H 83 7.770 7.770 8.258 -0.488 25493 452 1 . 1 1 84 84 LEU N N 84 117.900 117.900 117.397 0.503 25493 453 1 . 1 1 84 84 LEU HA H 84 4.280 4.280 4.522 -0.242 25493 454 1 . 1 1 84 84 LEU C C 84 177.500 177.500 177.457 0.043 25493 455 1 . 1 1 84 84 LEU CA C 84 56.000 56.000 55.420 0.580 25493 456 1 . 1 1 84 84 LEU CB C 84 42.900 42.900 43.815 -0.915 25493 457 1 . 1 1 84 84 LEU H H 84 7.670 7.670 7.903 -0.233 25493 458 1 . 1 1 85 85 ILE N N 85 115.400 115.400 114.010 1.390 25493 459 1 . 1 1 85 85 ILE HA H 85 4.130 4.130 4.405 -0.275 25493 460 1 . 1 1 85 85 ILE C C 85 175.100 175.100 175.526 -0.426 25493 461 1 . 1 1 85 85 ILE CA C 85 61.400 61.400 60.509 0.891 25493 462 1 . 1 1 85 85 ILE CB C 85 39.600 39.600 39.615 -0.015 25493 463 1 . 1 1 85 85 ILE H H 85 7.490 7.490 7.787 -0.297 25493 stop_ save_