data_15962_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15962
_Entry.PDB_ID 3ELL
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 4 . 1 1 1 A 3 3 ILE H H 3 8.620 8.367 0.253 1
1 5 . 1 1 1 A 3 3 ILE C C 3 171.960 174.456 -2.496 1
1 6 . 1 1 1 A 3 3 ILE CA C 3 61.440 62.288 -0.848 1
1 7 . 1 1 1 A 3 3 ILE CB C 3 38.610 38.956 -0.346 1
1 8 . 1 1 1 A 3 3 ILE N N 3 122.190 124.953 -2.763 1
1 9 . 1 1 1 A 4 4 SER H H 4 8.080 8.834 -0.754 1
1 10 . 1 1 1 A 4 4 SER C C 4 174.250 173.106 1.144 1
1 11 . 1 1 1 A 4 4 SER CA C 4 56.360 56.706 -0.346 1
1 12 . 1 1 1 A 4 4 SER CB C 4 65.080 65.046 0.034 1
1 13 . 1 1 1 A 4 4 SER N N 4 118.790 123.912 -5.122 1
1 14 . 1 1 1 A 5 5 ILE H H 5 8.610 9.029 -0.419 1
1 15 . 1 1 1 A 5 5 ILE C C 5 174.970 174.269 0.701 1
1 16 . 1 1 1 A 5 5 ILE CA C 5 59.910 60.132 -0.222 1
1 17 . 1 1 1 A 5 5 ILE CB C 5 42.830 41.081 1.749 1
1 18 . 1 1 1 A 5 5 ILE N N 5 127.310 128.857 -1.547 1
1 19 . 1 1 1 A 6 6 SER H H 6 8.830 8.998 -0.168 1
1 20 . 1 1 1 A 6 6 SER C C 6 172.670 172.515 0.155 1
1 21 . 1 1 1 A 6 6 SER CA C 6 56.260 56.302 -0.042 1
1 22 . 1 1 1 A 6 6 SER CB C 6 65.110 65.416 -0.306 1
1 23 . 1 1 1 A 6 6 SER N N 6 124.450 123.138 1.312 1
1 24 . 1 1 1 A 7 7 TYR H H 7 7.950 8.863 -0.913 1
1 25 . 1 1 1 A 7 7 TYR C C 7 172.540 172.633 -0.093 1
1 26 . 1 1 1 A 7 7 TYR CA C 7 54.750 55.557 -0.807 1
1 27 . 1 1 1 A 7 7 TYR CB C 7 41.280 40.913 0.367 1
1 28 . 1 1 1 A 7 7 TYR N N 7 120.160 121.696 -1.536 1
1 29 . 1 1 1 A 8 8 SER H H 8 8.130 8.481 -0.351 1
1 30 . 1 1 1 A 8 8 SER C C 8 178.440 175.288 3.152 1
1 31 . 1 1 1 A 8 8 SER CA C 8 56.870 58.304 -1.434 1
1 32 . 1 1 1 A 8 8 SER CB C 8 63.710 63.522 0.188 1
1 33 . 1 1 1 A 8 8 SER N N 8 115.740 116.718 -0.978 1
1 34 . 1 1 1 A 9 9 THR H H 9 8.480 8.765 -0.285 1
1 35 . 1 1 1 A 9 9 THR C C 9 176.180 176.404 -0.224 1
1 36 . 1 1 1 A 9 9 THR CA C 9 65.440 64.632 0.808 1
1 37 . 1 1 1 A 9 9 THR CB C 9 68.720 68.793 -0.073 1
1 38 . 1 1 1 A 9 9 THR N N 9 118.760 121.128 -2.368 1
1 39 . 1 1 1 A 10 10 THR H H 10 7.680 7.689 -0.009 1
1 40 . 1 1 1 A 10 10 THR C C 10 174.750 174.904 -0.154 1
1 41 . 1 1 1 A 10 10 THR CA C 10 65.550 65.921 -0.371 1
1 42 . 1 1 1 A 10 10 THR CB C 10 69.460 68.201 1.259 1
1 43 . 1 1 1 A 10 10 THR N N 10 119.930 114.980 4.950 1
1 44 . 1 1 1 A 11 11 TYR H H 11 7.870 7.717 0.153 1
1 45 . 1 1 1 A 11 11 TYR C C 11 175.120 176.257 -1.137 1
1 46 . 1 1 1 A 11 11 TYR CA C 11 58.470 57.202 1.268 1
1 47 . 1 1 1 A 11 11 TYR CB C 11 38.140 37.774 0.366 1
1 48 . 1 1 1 A 11 11 TYR N N 11 117.710 117.543 0.167 1
1 49 . 1 1 1 A 12 12 SER H H 12 7.670 7.871 -0.201 1
1 50 . 1 1 1 A 12 12 SER C C 12 176.600 176.402 0.198 1
1 51 . 1 1 1 A 12 12 SER CA C 12 62.580 62.569 0.011 1
1 52 . 1 1 1 A 12 12 SER CB C 12 64.010 63.006 1.004 1
1 53 . 1 1 1 A 12 12 SER N N 12 115.800 117.418 -1.618 1
1 54 . 1 1 1 A 13 13 GLY H H 13 8.040 8.129 -0.089 1
1 55 . 1 1 1 A 13 13 GLY C C 13 175.090 174.284 0.806 1
1 56 . 1 1 1 A 13 13 GLY CA C 13 46.130 45.349 0.781 1
1 57 . 1 1 1 A 13 13 GLY N N 13 105.780 108.321 -2.541 1
1 58 . 1 1 1 A 14 14 TRP H H 14 8.660 7.675 0.985 1
1 59 . 1 1 1 A 14 14 TRP C C 14 176.260 176.435 -0.175 1
1 60 . 1 1 1 A 14 14 TRP CA C 14 57.230 57.453 -0.223 1
1 61 . 1 1 1 A 14 14 TRP CB C 14 29.050 31.447 -2.397 1
1 62 . 1 1 1 A 14 14 TRP N N 14 123.010 121.506 1.504 1
1 63 . 1 1 1 A 15 15 THR H H 15 8.830 8.825 0.005 1
1 64 . 1 1 1 A 15 15 THR C C 15 175.610 176.138 -0.528 1
1 65 . 1 1 1 A 15 15 THR CA C 15 59.940 60.351 -0.411 1
1 66 . 1 1 1 A 15 15 THR CB C 15 70.720 71.427 -0.707 1
1 67 . 1 1 1 A 15 15 THR N N 15 109.410 114.433 -5.023 1
1 68 . 1 1 1 A 16 16 VAL H H 16 7.330 8.872 -1.542 1
1 69 . 1 1 1 A 16 16 VAL C C 16 178.470 177.386 1.084 1
1 70 . 1 1 1 A 16 16 VAL CA C 16 66.470 66.359 0.111 1
1 71 . 1 1 1 A 16 16 VAL CB C 16 30.820 31.468 -0.648 1
1 72 . 1 1 1 A 16 16 VAL N N 16 120.780 122.021 -1.241 1
1 73 . 1 1 1 A 17 17 ALA H H 17 8.500 8.228 0.272 1
1 74 . 1 1 1 A 17 17 ALA C C 17 179.580 179.939 -0.359 1
1 75 . 1 1 1 A 17 17 ALA CA C 17 55.480 55.891 -0.411 1
1 76 . 1 1 1 A 17 17 ALA CB C 17 18.880 18.225 0.655 1
1 77 . 1 1 1 A 17 17 ALA N N 17 119.910 122.204 -2.294 1
1 78 . 1 1 1 A 18 18 ASP H H 18 8.220 8.118 0.102 1
1 79 . 1 1 1 A 18 18 ASP C C 18 180.100 178.604 1.496 1
1 80 . 1 1 1 A 18 18 ASP CA C 18 57.300 57.435 -0.135 1
1 81 . 1 1 1 A 18 18 ASP CB C 18 39.770 40.145 -0.375 1
1 82 . 1 1 1 A 18 18 ASP N N 18 118.380 117.398 0.982 1
1 83 . 1 1 1 A 19 19 TYR H H 19 8.850 8.016 0.834 1
1 84 . 1 1 1 A 19 19 TYR C C 19 176.890 177.162 -0.272 1
1 85 . 1 1 1 A 19 19 TYR CA C 19 63.400 61.702 1.698 1
1 86 . 1 1 1 A 19 19 TYR CB C 19 39.070 39.090 -0.020 1
1 87 . 1 1 1 A 19 19 TYR N N 19 121.470 123.631 -2.161 1
1 88 . 1 1 1 A 20 20 LEU H H 20 8.780 8.334 0.446 1
1 89 . 1 1 1 A 20 20 LEU C C 20 179.530 179.377 0.153 1
1 90 . 1 1 1 A 20 20 LEU CA C 20 58.010 58.013 -0.003 1
1 91 . 1 1 1 A 20 20 LEU CB C 20 41.690 41.327 0.363 1
1 92 . 1 1 1 A 20 20 LEU N N 20 118.740 120.205 -1.465 1
1 93 . 1 1 1 A 21 21 ALA H H 21 8.450 8.453 -0.003 1
1 94 . 1 1 1 A 21 21 ALA C C 21 180.420 179.109 1.311 1
1 95 . 1 1 1 A 21 21 ALA CA C 21 55.350 55.333 0.017 1
1 96 . 1 1 1 A 21 21 ALA CB C 21 18.440 17.788 0.652 1
1 97 . 1 1 1 A 21 21 ALA N N 21 122.520 122.242 0.278 1
1 98 . 1 1 1 A 22 22 ASP H H 22 7.920 8.145 -0.225 1
1 99 . 1 1 1 A 22 22 ASP C C 22 178.380 178.374 0.006 1
1 100 . 1 1 1 A 22 22 ASP CA C 22 57.780 58.005 -0.225 1
1 101 . 1 1 1 A 22 22 ASP CB C 22 42.740 41.573 1.167 1
1 102 . 1 1 1 A 22 22 ASP N N 22 120.740 119.056 1.684 1
1 103 . 1 1 1 A 23 23 TRP H H 23 9.110 8.105 1.005 1
1 104 . 1 1 1 A 23 23 TRP C C 23 178.700 178.615 0.085 1
1 105 . 1 1 1 A 23 23 TRP CA C 23 63.220 61.536 1.684 1
1 106 . 1 1 1 A 23 23 TRP CB C 23 28.680 29.087 -0.407 1
1 107 . 1 1 1 A 23 23 TRP N N 23 122.120 122.021 0.099 1
1 108 . 1 1 1 A 24 24 SER H H 24 8.620 8.231 0.389 1
1 109 . 1 1 1 A 24 24 SER C C 24 177.010 177.049 -0.039 1
1 110 . 1 1 1 A 24 24 SER CA C 24 62.630 61.625 1.005 1
1 111 . 1 1 1 A 24 24 SER CB C 24 64.250 63.196 1.054 1
1 112 . 1 1 1 A 24 24 SER N N 24 113.350 114.459 -1.109 1
1 113 . 1 1 1 A 25 25 ALA H H 25 7.450 7.973 -0.523 1
1 114 . 1 1 1 A 25 25 ALA C C 25 178.900 179.122 -0.222 1
1 115 . 1 1 1 A 25 25 ALA CA C 25 54.410 54.902 -0.492 1
1 116 . 1 1 1 A 25 25 ALA CB C 25 18.030 18.363 -0.333 1
1 117 . 1 1 1 A 25 25 ALA N N 25 124.260 123.069 1.191 1
1 118 . 1 1 1 A 26 26 TYR H H 26 7.420 7.678 -0.258 1
1 119 . 1 1 1 A 26 26 TYR C C 26 177.990 178.550 -0.560 1
1 120 . 1 1 1 A 26 26 TYR CA C 26 58.410 61.187 -2.777 1
1 121 . 1 1 1 A 26 26 TYR CB C 26 39.650 38.335 1.315 1
1 122 . 1 1 1 A 26 26 TYR N N 26 120.360 115.931 4.429 1
1 123 . 1 1 1 A 27 27 PHE H H 27 8.510 8.045 0.465 1
1 124 . 1 1 1 A 27 27 PHE C C 27 176.810 175.653 1.157 1
1 125 . 1 1 1 A 27 27 PHE CA C 27 58.120 60.882 -2.762 1
1 126 . 1 1 1 A 27 27 PHE CB C 27 38.940 38.629 0.311 1
1 127 . 1 1 1 A 27 27 PHE N N 27 123.340 120.634 2.706 1
1 128 . 1 1 1 A 28 28 GLY H H 28 8.270 7.842 0.428 1
1 129 . 1 1 1 A 28 28 GLY C C 28 177.290 172.661 4.629 1
1 130 . 1 1 1 A 28 28 GLY CA C 28 44.740 45.255 -0.515 1
1 131 . 1 1 1 A 28 28 GLY N N 28 108.250 106.896 1.354 1
1 132 . 1 1 1 A 29 29 ASP H H 29 7.280 8.448 -1.168 1
1 133 . 1 1 1 A 29 29 ASP C C 29 178.100 176.180 1.920 1
1 134 . 1 1 1 A 29 29 ASP CA C 29 51.470 52.742 -1.272 1
1 135 . 1 1 1 A 29 29 ASP CB C 29 42.720 43.135 -0.415 1
1 136 . 1 1 1 A 29 29 ASP N N 29 116.350 122.654 -6.304 1
1 137 . 1 1 1 A 30 30 VAL H H 30 7.970 8.467 -0.497 1
1 138 . 1 1 1 A 30 30 VAL C C 30 176.410 175.961 0.449 1
1 139 . 1 1 1 A 30 30 VAL CA C 30 61.290 61.800 -0.510 1
1 140 . 1 1 1 A 30 30 VAL CB C 30 30.980 31.993 -1.013 1
1 141 . 1 1 1 A 30 30 VAL N N 30 118.440 121.709 -3.269 1
1 142 . 1 1 1 A 31 31 ASN H H 31 8.940 8.164 0.776 1
1 143 . 1 1 1 A 31 31 ASN C C 31 172.600 175.517 -2.917 1
1 144 . 1 1 1 A 31 31 ASN CA C 31 53.090 54.121 -1.031 1
1 145 . 1 1 1 A 31 31 ASN CB C 31 35.770 37.096 -1.326 1
1 146 . 1 1 1 A 31 31 ASN N N 31 123.830 120.159 3.671 1
1 147 . 1 1 1 A 34 34 PRO C C 34 177.520 177.563 -0.043 1
1 148 . 1 1 1 A 34 34 PRO CA C 34 65.590 63.636 1.954 1
1 149 . 1 1 1 A 34 34 PRO CB C 34 32.450 31.387 1.063 1
1 150 . 1 1 1 A 35 35 GLY H H 35 9.590 8.772 0.818 1
1 151 . 1 1 1 A 35 35 GLY C C 35 175.030 174.789 0.241 1
1 152 . 1 1 1 A 35 35 GLY CA C 35 45.940 45.499 0.441 1
1 153 . 1 1 1 A 35 35 GLY N N 35 113.920 112.692 1.228 1
1 154 . 1 1 1 A 36 36 GLN H H 36 8.230 8.097 0.133 1
1 155 . 1 1 1 A 36 36 GLN C C 36 180.290 174.470 5.820 1
1 156 . 1 1 1 A 36 36 GLN CA C 36 53.970 55.333 -1.363 1
1 157 . 1 1 1 A 36 36 GLN CB C 36 30.800 29.789 1.011 1
1 158 . 1 1 1 A 36 36 GLN N N 36 116.740 117.507 -0.767 1
1 159 . 1 1 1 A 37 37 VAL H H 37 7.850 7.692 0.158 1
1 160 . 1 1 1 A 37 37 VAL C C 37 173.900 175.046 -1.146 1
1 161 . 1 1 1 A 37 37 VAL CA C 37 60.300 61.692 -1.392 1
1 162 . 1 1 1 A 37 37 VAL CB C 37 33.490 33.223 0.267 1
1 163 . 1 1 1 A 37 37 VAL N N 37 122.300 120.400 1.900 1
1 164 . 1 1 1 A 38 38 VAL H H 38 8.590 9.036 -0.446 1
1 165 . 1 1 1 A 38 38 VAL C C 38 176.690 174.765 1.925 1
1 166 . 1 1 1 A 38 38 VAL CA C 38 61.290 62.498 -1.208 1
1 167 . 1 1 1 A 38 38 VAL CB C 38 30.480 33.481 -3.001 1
1 168 . 1 1 1 A 38 38 VAL N N 38 131.030 127.030 4.000 1
1 169 . 1 1 1 A 39 39 ASP H H 39 7.790 7.625 0.165 1
1 170 . 1 1 1 A 39 39 ASP C C 39 177.210 176.025 1.185 1
1 171 . 1 1 1 A 39 39 ASP CA C 39 53.050 53.164 -0.114 1
1 172 . 1 1 1 A 39 39 ASP CB C 39 42.910 41.237 1.673 1
1 173 . 1 1 1 A 39 39 ASP N N 39 118.310 118.125 0.185 1
1 174 . 1 1 1 A 40 40 GLY H H 40 8.110 9.090 -0.980 1
1 175 . 1 1 1 A 40 40 GLY C C 40 173.890 175.383 -1.493 1
1 176 . 1 1 1 A 40 40 GLY CA C 40 45.730 45.879 -0.149 1
1 177 . 1 1 1 A 40 40 GLY N N 40 112.340 107.613 4.727 1
1 178 . 1 1 1 A 41 41 SER H H 41 8.050 8.313 -0.263 1
1 179 . 1 1 1 A 41 41 SER C C 41 174.170 174.996 -0.826 1
1 180 . 1 1 1 A 41 41 SER CA C 41 58.780 60.834 -2.054 1
1 181 . 1 1 1 A 41 41 SER CB C 41 62.170 63.167 -0.997 1
1 182 . 1 1 1 A 41 41 SER N N 41 115.050 114.112 0.938 1
1 183 . 1 1 1 A 42 42 ASN H H 42 7.490 8.100 -0.610 1
1 184 . 1 1 1 A 42 42 ASN C C 42 176.400 176.218 0.182 1
1 185 . 1 1 1 A 42 42 ASN CA C 42 52.710 52.254 0.456 1
1 186 . 1 1 1 A 42 42 ASN CB C 42 38.690 39.104 -0.414 1
1 187 . 1 1 1 A 42 42 ASN N N 42 114.780 116.720 -1.940 1
1 188 . 1 1 1 A 43 43 THR H H 43 6.870 7.798 -0.928 1
1 189 . 1 1 1 A 43 43 THR C C 43 175.630 174.931 0.699 1
1 190 . 1 1 1 A 43 43 THR CA C 43 61.460 62.684 -1.224 1
1 191 . 1 1 1 A 43 43 THR CB C 43 71.010 71.081 -0.071 1
1 192 . 1 1 1 A 43 43 THR N N 43 105.690 111.458 -5.768 1
1 193 . 1 1 1 A 44 44 GLY H H 44 8.430 7.799 0.631 1
1 194 . 1 1 1 A 44 44 GLY C C 44 173.650 172.793 0.857 1
1 195 . 1 1 1 A 44 44 GLY CA C 44 45.680 44.741 0.939 1
1 196 . 1 1 1 A 44 44 GLY N N 44 111.870 110.163 1.707 1
1 197 . 1 1 1 A 45 45 GLY H H 45 8.170 8.182 -0.012 1
1 198 . 1 1 1 A 45 45 GLY C C 45 170.480 171.830 -1.350 1
1 199 . 1 1 1 A 45 45 GLY CA C 45 45.990 45.476 0.514 1
1 200 . 1 1 1 A 45 45 GLY N N 45 107.340 107.154 0.186 1
1 201 . 1 1 1 A 46 46 PHE H H 46 9.460 8.462 0.998 1
1 202 . 1 1 1 A 46 46 PHE C C 46 176.160 174.501 1.659 1
1 203 . 1 1 1 A 46 46 PHE CA C 46 57.030 57.066 -0.036 1
1 204 . 1 1 1 A 46 46 PHE CB C 46 44.260 41.987 2.273 1
1 205 . 1 1 1 A 46 46 PHE N N 46 117.630 119.471 -1.841 1
1 206 . 1 1 1 A 47 47 ASN H H 47 8.960 8.764 0.196 1
1 207 . 1 1 1 A 47 47 ASN C C 47 175.200 174.827 0.373 1
1 208 . 1 1 1 A 47 47 ASN CA C 47 48.990 49.337 -0.347 1
1 209 . 1 1 1 A 47 47 ASN CB C 47 42.830 40.063 2.767 1
1 210 . 1 1 1 A 47 47 ASN N N 47 116.330 121.461 -5.131 1
1 211 . 1 1 1 A 48 48 PRO CA C 48 65.430 63.511 1.919 1
1 212 . 1 1 1 A 48 48 PRO CB C 48 34.590 32.395 2.195 1
1 213 . 1 1 1 A 49 49 GLY H H 49 8.030 8.246 -0.216 1
1 214 . 1 1 1 A 49 49 GLY C C 49 176.300 173.634 2.666 1
1 215 . 1 1 1 A 49 49 GLY CA C 49 46.280 44.655 1.625 1
1 216 . 1 1 1 A 49 49 GLY N N 49 105.750 110.186 -4.436 1
1 217 . 1 1 1 A 50 50 PRO C C 50 176.160 176.332 -0.172 1
1 218 . 1 1 1 A 50 50 PRO CA C 50 64.500 64.395 0.105 1
1 219 . 1 1 1 A 50 50 PRO CB C 50 34.350 31.328 3.022 1
1 220 . 1 1 1 A 51 51 PHE H H 51 8.890 8.085 0.805 1
1 221 . 1 1 1 A 51 51 PHE C C 51 170.930 173.920 -2.990 1
1 222 . 1 1 1 A 51 51 PHE CA C 51 56.590 57.291 -0.701 1
1 223 . 1 1 1 A 51 51 PHE CB C 51 40.660 40.174 0.486 1
1 224 . 1 1 1 A 51 51 PHE N N 51 117.220 116.249 0.971 1
1 225 . 1 1 1 A 52 52 ASP H H 52 6.650 7.789 -1.139 1
1 226 . 1 1 1 A 52 52 ASP C C 52 174.870 175.118 -0.248 1
1 227 . 1 1 1 A 52 52 ASP CA C 52 51.840 53.016 -1.176 1
1 228 . 1 1 1 A 52 52 ASP CB C 52 45.750 45.017 0.733 1
1 229 . 1 1 1 A 52 52 ASP N N 52 113.580 117.404 -3.824 1
1 230 . 1 1 1 A 53 53 GLY H H 53 8.680 8.317 0.363 1
1 231 . 1 1 1 A 53 53 GLY C C 53 171.370 174.064 -2.694 1
1 232 . 1 1 1 A 53 53 GLY CA C 53 47.310 45.776 1.534 1
1 233 . 1 1 1 A 53 53 GLY N N 53 106.820 109.380 -2.560 1
1 234 . 1 1 1 A 54 54 SER H H 54 8.900 8.906 -0.006 1
1 235 . 1 1 1 A 54 54 SER C C 54 176.840 174.053 2.787 1
1 236 . 1 1 1 A 54 54 SER CA C 54 58.120 59.883 -1.763 1
1 237 . 1 1 1 A 54 54 SER CB C 54 63.960 63.909 0.051 1
1 238 . 1 1 1 A 54 54 SER N N 54 114.070 113.816 0.254 1
1 239 . 1 1 1 A 55 55 GLN H H 55 8.110 7.563 0.547 1
1 240 . 1 1 1 A 55 55 GLN C C 55 175.260 173.444 1.816 1
1 241 . 1 1 1 A 55 55 GLN CA C 55 54.510 54.739 -0.229 1
1 242 . 1 1 1 A 55 55 GLN CB C 55 37.200 33.189 4.011 1
1 243 . 1 1 1 A 55 55 GLN N N 55 117.130 119.097 -1.967 1
1 244 . 1 1 1 A 56 56 TYR H H 56 9.460 8.862 0.598 1
1 245 . 1 1 1 A 56 56 TYR C C 56 172.170 173.334 -1.164 1
1 246 . 1 1 1 A 56 56 TYR CA C 56 57.300 56.034 1.266 1
1 247 . 1 1 1 A 56 56 TYR CB C 56 42.410 41.669 0.741 1
1 248 . 1 1 1 A 56 56 TYR N N 56 122.800 124.051 -1.251 1
1 249 . 1 1 1 A 57 57 ALA H H 57 8.180 8.841 -0.661 1
1 250 . 1 1 1 A 57 57 ALA C C 57 174.350 174.784 -0.434 1
1 251 . 1 1 1 A 57 57 ALA CA C 57 49.350 49.576 -0.226 1
1 252 . 1 1 1 A 57 57 ALA CB C 57 23.990 22.456 1.534 1
1 253 . 1 1 1 A 57 57 ALA N N 57 129.090 129.463 -0.373 1
1 254 . 1 1 1 A 58 58 LEU H H 58 7.090 8.523 -1.433 1
1 255 . 1 1 1 A 58 58 LEU C C 58 172.630 173.667 -1.037 1
1 256 . 1 1 1 A 58 58 LEU CA C 58 53.860 53.898 -0.038 1
1 257 . 1 1 1 A 58 58 LEU CB C 58 45.150 45.787 -0.637 1
1 258 . 1 1 1 A 58 58 LEU N N 58 121.000 120.380 0.620 1
1 259 . 1 1 1 A 59 59 LYS H H 59 7.830 8.825 -0.995 1
1 260 . 1 1 1 A 59 59 LYS C C 59 174.460 175.914 -1.454 1
1 261 . 1 1 1 A 59 59 LYS CA C 59 54.460 54.217 0.243 1
1 262 . 1 1 1 A 59 59 LYS CB C 59 34.700 35.027 -0.327 1
1 263 . 1 1 1 A 59 59 LYS N N 59 124.940 128.427 -3.487 1
1 264 . 1 1 1 A 60 60 SER H H 60 8.220 8.747 -0.527 1
1 265 . 1 1 1 A 60 60 SER C C 60 174.890 175.595 -0.705 1
1 266 . 1 1 1 A 60 60 SER CA C 60 57.700 58.188 -0.488 1
1 267 . 1 1 1 A 60 60 SER CB C 60 63.420 63.130 0.290 1
1 268 . 1 1 1 A 60 60 SER N N 60 117.520 120.018 -2.498 1
1 269 . 1 1 1 A 61 61 THR H H 61 7.620 8.548 -0.928 1
1 270 . 1 1 1 A 61 61 THR C C 61 174.770 174.803 -0.033 1
1 271 . 1 1 1 A 61 61 THR CA C 61 61.980 61.963 0.017 1
1 272 . 1 1 1 A 61 61 THR CB C 61 68.450 69.584 -1.134 1
1 273 . 1 1 1 A 61 61 THR N N 61 114.510 117.050 -2.540 1
1 274 . 1 1 1 A 62 62 ALA H H 62 8.400 7.771 0.629 1
1 275 . 1 1 1 A 62 62 ALA C C 62 176.640 177.178 -0.538 1
1 276 . 1 1 1 A 62 62 ALA CA C 62 47.960 52.841 -4.881 1
1 277 . 1 1 1 A 62 62 ALA CB C 62 21.030 20.622 0.408 1
1 278 . 1 1 1 A 62 62 ALA N N 62 125.960 123.661 2.299 1
1 279 . 1 1 1 A 63 63 SER H H 63 7.810 7.946 -0.136 1
1 280 . 1 1 1 A 63 63 SER C C 63 172.450 173.312 -0.862 1
1 281 . 1 1 1 A 63 63 SER CA C 63 56.820 57.272 -0.452 1
1 282 . 1 1 1 A 63 63 SER CB C 63 66.210 64.905 1.305 1
1 283 . 1 1 1 A 63 63 SER N N 63 116.020 108.830 7.190 1
1 284 . 1 1 1 A 64 64 ASP H H 64 8.000 8.557 -0.557 1
1 285 . 1 1 1 A 64 64 ASP C C 64 175.890 175.939 -0.049 1
1 286 . 1 1 1 A 64 64 ASP CA C 64 54.440 54.192 0.248 1
1 287 . 1 1 1 A 64 64 ASP CB C 64 41.220 41.414 -0.194 1
1 288 . 1 1 1 A 64 64 ASP N N 64 114.890 117.262 -2.372 1
1 289 . 1 1 1 A 65 65 ALA H H 65 7.640 7.387 0.253 1
1 290 . 1 1 1 A 65 65 ALA C C 65 175.260 177.514 -2.254 1
1 291 . 1 1 1 A 65 65 ALA CA C 65 52.650 52.995 -0.345 1
1 292 . 1 1 1 A 65 65 ALA CB C 65 19.730 19.193 0.537 1
1 293 . 1 1 1 A 65 65 ALA N N 65 124.130 123.317 0.813 1
1 294 . 1 1 1 A 66 66 ALA H H 66 9.260 8.714 0.546 1
1 295 . 1 1 1 A 66 66 ALA C C 66 174.230 176.112 -1.882 1
1 296 . 1 1 1 A 66 66 ALA CA C 66 52.000 51.553 0.447 1
1 297 . 1 1 1 A 66 66 ALA CB C 66 25.080 23.999 1.081 1
1 298 . 1 1 1 A 66 66 ALA N N 66 120.560 123.650 -3.090 1
1 299 . 1 1 1 A 67 67 PHE H H 67 8.230 8.898 -0.668 1
1 300 . 1 1 1 A 67 67 PHE C C 67 172.940 172.902 0.038 1
1 301 . 1 1 1 A 67 67 PHE CA C 67 55.140 55.553 -0.413 1
1 302 . 1 1 1 A 67 67 PHE CB C 67 44.110 42.765 1.345 1
1 303 . 1 1 1 A 67 67 PHE N N 67 112.870 114.802 -1.932 1
1 304 . 1 1 1 A 68 68 ILE H H 68 8.680 8.577 0.103 1
1 305 . 1 1 1 A 68 68 ILE C C 68 176.350 174.546 1.804 1
1 306 . 1 1 1 A 68 68 ILE CA C 68 60.600 60.276 0.324 1
1 307 . 1 1 1 A 68 68 ILE CB C 68 42.240 41.376 0.864 1
1 308 . 1 1 1 A 68 68 ILE N N 68 114.990 120.410 -5.420 1
1 309 . 1 1 1 A 69 69 ALA H H 69 10.430 9.033 1.397 1
1 310 . 1 1 1 A 69 69 ALA C C 69 175.200 177.046 -1.846 1
1 311 . 1 1 1 A 69 69 ALA CA C 69 50.260 50.654 -0.394 1
1 312 . 1 1 1 A 69 69 ALA CB C 69 20.760 20.705 0.055 1
1 313 . 1 1 1 A 69 69 ALA N N 69 135.590 130.949 4.641 1
1 314 . 1 1 1 A 70 70 GLY H H 70 9.490 8.788 0.702 1
1 315 . 1 1 1 A 70 70 GLY C C 70 173.830 173.841 -0.011 1
1 316 . 1 1 1 A 70 70 GLY CA C 70 43.600 44.427 -0.827 1
1 317 . 1 1 1 A 70 70 GLY N N 70 110.910 110.275 0.635 1
1 318 . 1 1 1 A 71 71 GLY H H 71 8.670 8.391 0.279 1
1 319 . 1 1 1 A 71 71 GLY C C 71 171.680 171.210 0.470 1
1 320 . 1 1 1 A 71 71 GLY CA C 71 46.580 45.927 0.653 1
1 321 . 1 1 1 A 71 71 GLY N N 71 111.200 109.112 2.088 1
1 322 . 1 1 1 A 72 72 ASP H H 72 9.590 8.827 0.763 1
1 323 . 1 1 1 A 72 72 ASP C C 72 173.740 174.706 -0.966 1
1 324 . 1 1 1 A 72 72 ASP CA C 72 54.430 53.214 1.216 1
1 325 . 1 1 1 A 72 72 ASP CB C 72 41.580 41.065 0.515 1
1 326 . 1 1 1 A 72 72 ASP N N 72 129.580 123.721 5.859 1
1 327 . 1 1 1 A 73 73 LEU H H 73 8.510 8.722 -0.212 1
1 328 . 1 1 1 A 73 73 LEU C C 73 176.150 175.407 0.743 1
1 329 . 1 1 1 A 73 73 LEU CA C 73 54.560 53.387 1.173 1
1 330 . 1 1 1 A 73 73 LEU CB C 73 47.070 44.548 2.522 1
1 331 . 1 1 1 A 73 73 LEU N N 73 123.340 125.973 -2.633 1
1 332 . 1 1 1 A 74 74 HIS H H 74 8.170 8.963 -0.793 1
1 333 . 1 1 1 A 74 74 HIS C C 74 173.710 173.369 0.341 1
1 334 . 1 1 1 A 74 74 HIS CA C 74 58.090 54.238 3.852 1
1 335 . 1 1 1 A 74 74 HIS CB C 74 31.560 32.994 -1.434 1
1 336 . 1 1 1 A 74 74 HIS N N 74 118.420 120.192 -1.772 1
1 337 . 1 1 1 A 75 75 TYR H H 75 8.420 8.830 -0.410 1
1 338 . 1 1 1 A 75 75 TYR C C 75 174.200 176.886 -2.686 1
1 339 . 1 1 1 A 75 75 TYR CA C 75 52.510 56.909 -4.399 1
1 340 . 1 1 1 A 75 75 TYR CB C 75 34.550 41.032 -6.482 1
1 341 . 1 1 1 A 75 75 TYR N N 75 125.070 123.353 1.717 1
1 342 . 1 1 1 A 76 76 THR C C 76 176.310 173.860 2.450 1
1 343 . 1 1 1 A 77 77 LEU C C 77 171.100 175.819 -4.719 1
1 344 . 1 1 1 A 77 77 LEU CA C 77 58.290 56.440 1.850 1
1 345 . 1 1 1 A 77 77 LEU CB C 77 41.480 40.781 0.699 1
1 346 . 1 1 1 A 78 78 PHE H H 78 6.510 8.468 -1.958 1
1 347 . 1 1 1 A 78 78 PHE C C 78 171.100 175.345 -4.245 1
1 348 . 1 1 1 A 78 78 PHE CA C 78 56.790 57.837 -1.047 1
1 349 . 1 1 1 A 78 78 PHE CB C 78 38.550 38.813 -0.263 1
1 350 . 1 1 1 A 78 78 PHE N N 78 120.660 124.861 -4.201 1
1 351 . 1 1 1 A 79 79 SER H H 79 7.050 7.508 -0.458 1
1 352 . 1 1 1 A 79 79 SER C C 79 170.580 174.131 -3.551 1
1 353 . 1 1 1 A 79 79 SER CA C 79 57.660 56.951 0.709 1
1 354 . 1 1 1 A 79 79 SER CB C 79 62.970 65.319 -2.349 1
1 355 . 1 1 1 A 79 79 SER N N 79 118.660 113.825 4.835 1
1 356 . 1 1 1 A 80 80 ASN H H 80 7.700 8.520 -0.820 1
1 357 . 1 1 1 A 80 80 ASN C C 80 173.700 174.323 -0.623 1
1 358 . 1 1 1 A 80 80 ASN CA C 80 51.440 50.678 0.762 1
1 359 . 1 1 1 A 80 80 ASN CB C 80 39.150 39.595 -0.445 1
1 360 . 1 1 1 A 80 80 ASN N N 80 118.030 122.325 -4.295 1
1 361 . 1 1 1 A 81 81 PRO C C 81 176.510 177.001 -0.491 1
1 362 . 1 1 1 A 81 81 PRO CA C 81 61.360 62.287 -0.927 1
1 363 . 1 1 1 A 81 81 PRO CB C 81 32.480 32.452 0.028 1
1 364 . 1 1 1 A 82 82 SER H H 82 8.190 8.357 -0.167 1
1 365 . 1 1 1 A 82 82 SER C C 82 174.800 174.171 0.629 1
1 366 . 1 1 1 A 82 82 SER CA C 82 58.230 58.010 0.220 1
1 367 . 1 1 1 A 82 82 SER CB C 82 63.370 63.819 -0.449 1
1 368 . 1 1 1 A 82 82 SER N N 82 124.760 115.697 9.063 1
1 369 . 1 1 1 A 83 83 HIS C C 83 176.300 174.127 2.173 1
1 370 . 1 1 1 A 83 83 HIS CA C 83 57.040 56.394 0.646 1
1 371 . 1 1 1 A 83 83 HIS CB C 83 29.400 27.037 2.363 1
1 372 . 1 1 1 A 84 84 THR H H 84 7.530 7.669 -0.139 1
1 373 . 1 1 1 A 84 84 THR C C 84 174.700 172.626 2.074 1
1 374 . 1 1 1 A 84 84 THR CA C 84 60.870 61.888 -1.018 1
1 375 . 1 1 1 A 84 84 THR CB C 84 68.210 70.925 -2.715 1
1 376 . 1 1 1 A 84 84 THR N N 84 114.440 113.086 1.354 1
1 377 . 1 1 1 A 85 85 LEU C C 85 174.310 175.927 -1.617 1
1 378 . 1 1 1 A 85 85 LEU CA C 85 54.230 53.912 0.318 1
1 379 . 1 1 1 A 85 85 LEU CB C 85 45.920 44.202 1.718 1
1 380 . 1 1 1 A 86 86 TRP H H 86 9.570 8.992 0.578 1
1 381 . 1 1 1 A 86 86 TRP C C 86 172.230 174.162 -1.932 1
1 382 . 1 1 1 A 86 86 TRP CA C 86 55.260 55.779 -0.519 1
1 383 . 1 1 1 A 86 86 TRP CB C 86 30.280 32.155 -1.875 1
1 384 . 1 1 1 A 86 86 TRP N N 86 125.840 123.083 2.757 1
1 385 . 1 1 1 A 87 87 GLY H H 87 8.570 8.390 0.180 1
1 386 . 1 1 1 A 87 87 GLY C C 87 172.220 172.535 -0.315 1
1 387 . 1 1 1 A 87 87 GLY CA C 87 43.160 44.019 -0.859 1
1 388 . 1 1 1 A 87 87 GLY N N 87 106.250 106.579 -0.329 1
1 389 . 1 1 1 A 88 88 LYS H H 88 8.480 8.289 0.191 1
1 390 . 1 1 1 A 88 88 LYS C C 88 175.170 174.479 0.691 1
1 391 . 1 1 1 A 88 88 LYS CA C 88 54.610 55.027 -0.417 1
1 392 . 1 1 1 A 88 88 LYS CB C 88 34.570 34.563 0.007 1
1 393 . 1 1 1 A 88 88 LYS N N 88 120.800 121.840 -1.040 1
1 394 . 1 1 1 A 89 89 LEU H H 89 8.790 8.808 -0.018 1
1 395 . 1 1 1 A 89 89 LEU C C 89 172.930 176.301 -3.371 1
1 396 . 1 1 1 A 89 89 LEU CA C 89 53.740 53.814 -0.074 1
1 397 . 1 1 1 A 89 89 LEU CB C 89 46.150 44.617 1.533 1
1 398 . 1 1 1 A 89 89 LEU N N 89 126.620 126.837 -0.217 1
1 399 . 1 1 1 A 90 90 ASP H H 90 9.520 9.064 0.456 1
1 400 . 1 1 1 A 90 90 ASP C C 90 176.800 176.008 0.792 1
1 401 . 1 1 1 A 90 90 ASP CA C 90 55.520 55.500 0.020 1
1 402 . 1 1 1 A 90 90 ASP CB C 90 44.890 42.856 2.034 1
1 403 . 1 1 1 A 90 90 ASP N N 90 125.060 129.183 -4.123 1
1 404 . 1 1 1 A 91 91 SER H H 91 8.660 7.963 0.697 1
1 405 . 1 1 1 A 91 91 SER C C 91 173.590 172.296 1.294 1
1 406 . 1 1 1 A 91 91 SER CA C 91 56.860 57.457 -0.597 1
1 407 . 1 1 1 A 91 91 SER CB C 91 66.670 66.000 0.670 1
1 408 . 1 1 1 A 91 91 SER N N 91 111.790 110.651 1.139 1
1 409 . 1 1 1 A 92 92 ILE H H 92 9.020 8.489 0.531 1
1 410 . 1 1 1 A 92 92 ILE C C 92 172.760 174.298 -1.538 1
1 411 . 1 1 1 A 92 92 ILE CA C 92 59.660 60.423 -0.763 1
1 412 . 1 1 1 A 92 92 ILE CB C 92 42.120 41.102 1.018 1
1 413 . 1 1 1 A 92 92 ILE N N 92 120.140 122.014 -1.874 1
1 414 . 1 1 1 A 93 93 ALA H H 93 8.960 8.928 0.032 1
1 415 . 1 1 1 A 93 93 ALA C C 93 174.790 175.840 -1.050 1
1 416 . 1 1 1 A 93 93 ALA CA C 93 50.780 50.131 0.649 1
1 417 . 1 1 1 A 93 93 ALA CB C 93 21.500 21.665 -0.165 1
1 418 . 1 1 1 A 93 93 ALA N N 93 131.110 129.614 1.496 1
1 419 . 1 1 1 A 94 94 LEU H H 94 8.760 8.737 0.023 1
1 420 . 1 1 1 A 94 94 LEU C C 94 176.830 176.710 0.120 1
1 421 . 1 1 1 A 94 94 LEU CA C 94 53.590 53.018 0.572 1
1 422 . 1 1 1 A 94 94 LEU CB C 94 43.250 44.791 -1.541 1
1 423 . 1 1 1 A 94 94 LEU N N 94 120.530 122.876 -2.346 1
1 424 . 1 1 1 A 95 95 GLY H H 95 8.140 8.159 -0.019 1
1 425 . 1 1 1 A 95 95 GLY C C 95 171.180 171.162 0.018 1
1 426 . 1 1 1 A 95 95 GLY CA C 95 46.990 46.275 0.715 1
1 427 . 1 1 1 A 95 95 GLY N N 95 109.110 109.628 -0.518 1
1 428 . 1 1 1 A 96 96 ASP H H 96 8.900 8.585 0.315 1
1 429 . 1 1 1 A 96 96 ASP C C 96 174.110 174.918 -0.808 1
1 430 . 1 1 1 A 96 96 ASP CA C 96 53.560 53.308 0.252 1
1 431 . 1 1 1 A 96 96 ASP CB C 96 45.150 43.462 1.688 1
1 432 . 1 1 1 A 96 96 ASP N N 96 123.160 121.235 1.925 1
1 433 . 1 1 1 A 97 97 THR H H 97 8.290 8.295 -0.005 1
1 434 . 1 1 1 A 97 97 THR C C 97 172.560 173.935 -1.375 1
1 435 . 1 1 1 A 97 97 THR CA C 97 64.440 62.455 1.985 1
1 436 . 1 1 1 A 97 97 THR CB C 97 65.300 68.210 -2.910 1
1 437 . 1 1 1 A 97 97 THR N N 97 111.060 116.002 -4.942 1
1 438 . 1 1 1 A 98 98 LEU H H 98 8.460 8.810 -0.350 1
1 439 . 1 1 1 A 98 98 LEU C C 98 176.540 176.229 0.311 1
1 440 . 1 1 1 A 98 98 LEU CA C 98 55.110 54.307 0.803 1
1 441 . 1 1 1 A 98 98 LEU CB C 98 42.990 43.132 -0.142 1
1 442 . 1 1 1 A 98 98 LEU N N 98 128.370 127.737 0.633 1
1 443 . 1 1 1 A 99 99 THR H H 99 9.340 8.575 0.765 1
1 444 . 1 1 1 A 99 99 THR C C 99 173.700 173.499 0.201 1
1 445 . 1 1 1 A 99 99 THR CA C 99 59.990 59.736 0.254 1
1 446 . 1 1 1 A 99 99 THR CB C 99 71.860 71.397 0.463 1
1 447 . 1 1 1 A 99 99 THR N N 99 120.840 118.193 2.647 1
1 448 . 1 1 1 A 100 100 GLY H H 100 8.350 8.584 -0.234 1
1 449 . 1 1 1 A 100 100 GLY C C 100 173.390 173.066 0.324 1
1 450 . 1 1 1 A 100 100 GLY CA C 100 44.920 44.462 0.458 1
1 451 . 1 1 1 A 100 100 GLY N N 100 106.250 113.364 -7.114 1
1 452 . 1 1 1 A 101 101 GLY H H 101 6.740 8.150 -1.410 1
1 453 . 1 1 1 A 101 101 GLY C C 101 173.820 172.600 1.220 1
1 454 . 1 1 1 A 101 101 GLY CA C 101 43.480 45.698 -2.218 1
1 455 . 1 1 1 A 101 101 GLY N N 101 106.290 107.206 -0.916 1
1 456 . 1 1 1 A 102 102 ALA H H 102 8.700 8.595 0.105 1
1 457 . 1 1 1 A 102 102 ALA C C 102 175.370 177.359 -1.989 1
1 458 . 1 1 1 A 102 102 ALA CA C 102 55.220 51.156 4.064 1
1 459 . 1 1 1 A 102 102 ALA CB C 102 19.720 19.924 -0.204 1
1 460 . 1 1 1 A 102 102 ALA N N 102 123.560 126.800 -3.240 1
1 461 . 1 1 1 A 103 103 SER C C 103 175.020 175.894 -0.874 1
1 462 . 1 1 1 A 103 103 SER CA C 103 58.510 58.029 0.481 1
1 463 . 1 1 1 A 103 103 SER CB C 103 63.110 63.640 -0.530 1
1 464 . 1 1 1 A 104 104 SER H H 104 7.410 8.354 -0.944 1
1 465 . 1 1 1 A 104 104 SER C C 104 174.510 174.908 -0.398 1
1 466 . 1 1 1 A 104 104 SER CA C 104 57.640 60.565 -2.925 1
1 467 . 1 1 1 A 104 104 SER CB C 104 63.800 63.619 0.181 1
1 468 . 1 1 1 A 104 104 SER N N 104 114.780 116.576 -1.796 1
1 469 . 1 1 1 A 105 105 GLY H H 105 7.940 7.425 0.515 1
1 470 . 1 1 1 A 105 105 GLY C C 105 174.220 172.506 1.714 1
1 471 . 1 1 1 A 105 105 GLY CA C 105 45.390 45.466 -0.076 1
1 472 . 1 1 1 A 105 105 GLY N N 105 109.010 106.895 2.115 1
1 473 . 1 1 1 A 106 106 GLY H H 106 7.670 8.531 -0.861 1
1 474 . 1 1 1 A 106 106 GLY C C 106 174.420 173.060 1.360 1
1 475 . 1 1 1 A 106 106 GLY CA C 106 44.200 43.795 0.405 1
1 476 . 1 1 1 A 106 106 GLY N N 106 107.400 111.624 -4.224 1
1 477 . 1 1 1 A 107 107 TYR H H 107 9.310 8.509 0.801 1
1 478 . 1 1 1 A 107 107 TYR C C 107 175.820 175.691 0.129 1
1 479 . 1 1 1 A 107 107 TYR CA C 107 58.530 58.149 0.381 1
1 480 . 1 1 1 A 107 107 TYR CB C 107 40.990 40.603 0.387 1
1 481 . 1 1 1 A 107 107 TYR N N 107 121.460 119.402 2.058 1
1 482 . 1 1 1 A 108 108 ALA H H 108 8.790 8.888 -0.098 1
1 483 . 1 1 1 A 108 108 ALA C C 108 174.680 175.453 -0.773 1
1 484 . 1 1 1 A 108 108 ALA CA C 108 51.550 51.304 0.246 1
1 485 . 1 1 1 A 108 108 ALA CB C 108 22.300 24.109 -1.809 1
1 486 . 1 1 1 A 108 108 ALA N N 108 123.960 122.380 1.580 1
1 487 . 1 1 1 A 109 109 LEU H H 109 8.300 8.708 -0.408 1
1 488 . 1 1 1 A 109 109 LEU C C 109 177.060 176.793 0.267 1
1 489 . 1 1 1 A 109 109 LEU CA C 109 52.680 53.277 -0.597 1
1 490 . 1 1 1 A 109 109 LEU CB C 109 43.170 43.872 -0.702 1
1 491 . 1 1 1 A 109 109 LEU N N 109 119.720 118.792 0.928 1
1 492 . 1 1 1 A 110 110 ASP H H 110 9.310 8.526 0.784 1
1 493 . 1 1 1 A 110 110 ASP C C 110 177.570 176.423 1.147 1
1 494 . 1 1 1 A 110 110 ASP CA C 110 56.510 56.881 -0.371 1
1 495 . 1 1 1 A 110 110 ASP CB C 110 41.590 42.132 -0.542 1
1 496 . 1 1 1 A 110 110 ASP N N 110 124.720 122.937 1.783 1
1 497 . 1 1 1 A 111 111 SER H H 111 7.740 7.891 -0.151 1
1 498 . 1 1 1 A 111 111 SER C C 111 173.250 172.551 0.699 1
1 499 . 1 1 1 A 111 111 SER CA C 111 55.670 56.733 -1.063 1
1 500 . 1 1 1 A 111 111 SER CB C 111 63.130 64.461 -1.331 1
1 501 . 1 1 1 A 111 111 SER N N 111 112.060 112.228 -0.168 1
1 502 . 1 1 1 A 112 112 GLN H H 112 8.750 8.771 -0.021 1
1 503 . 1 1 1 A 112 112 GLN C C 112 175.190 175.127 0.063 1
1 504 . 1 1 1 A 112 112 GLN CA C 112 56.470 54.537 1.933 1
1 505 . 1 1 1 A 112 112 GLN CB C 112 30.020 29.409 0.611 1
1 506 . 1 1 1 A 112 112 GLN N N 112 126.650 128.443 -1.793 1
1 507 . 1 1 1 A 113 113 GLU H H 113 8.850 8.963 -0.113 1
1 508 . 1 1 1 A 113 113 GLU C C 113 175.340 176.498 -1.158 1
1 509 . 1 1 1 A 113 113 GLU CA C 113 58.440 58.358 0.082 1
1 510 . 1 1 1 A 113 113 GLU CB C 113 30.450 31.045 -0.595 1
1 511 . 1 1 1 A 113 113 GLU N N 113 128.550 126.128 2.422 1
1 512 . 1 1 1 A 114 114 VAL H H 114 7.350 7.785 -0.435 1
1 513 . 1 1 1 A 114 114 VAL C C 114 173.700 174.280 -0.580 1
1 514 . 1 1 1 A 114 114 VAL CA C 114 60.190 60.002 0.188 1
1 515 . 1 1 1 A 114 114 VAL CB C 114 37.690 35.999 1.691 1
1 516 . 1 1 1 A 114 114 VAL N N 114 117.030 118.926 -1.896 1
1 517 . 1 1 1 A 115 115 SER H H 115 8.610 8.778 -0.168 1
1 518 . 1 1 1 A 115 115 SER C C 115 172.440 172.929 -0.489 1
1 519 . 1 1 1 A 115 115 SER CA C 115 56.120 56.479 -0.359 1
1 520 . 1 1 1 A 115 115 SER CB C 115 66.110 66.138 -0.028 1
1 521 . 1 1 1 A 115 115 SER N N 115 117.480 119.622 -2.142 1
1 522 . 1 1 1 A 116 116 PHE H H 116 9.180 8.752 0.428 1
1 523 . 1 1 1 A 116 116 PHE C C 116 174.220 174.895 -0.675 1
1 524 . 1 1 1 A 116 116 PHE CA C 116 55.990 56.545 -0.555 1
1 525 . 1 1 1 A 116 116 PHE CB C 116 41.970 41.512 0.458 1
1 526 . 1 1 1 A 116 116 PHE N N 116 122.650 120.505 2.145 1
1 527 . 1 1 1 A 117 117 SER H H 117 9.450 8.830 0.620 1
1 528 . 1 1 1 A 117 117 SER C C 117 172.930 174.476 -1.546 1
1 529 . 1 1 1 A 117 117 SER CA C 117 57.530 57.064 0.466 1
1 530 . 1 1 1 A 117 117 SER CB C 117 65.570 66.689 -1.119 1
1 531 . 1 1 1 A 117 117 SER N N 117 117.840 118.475 -0.635 1
1 532 . 1 1 1 A 118 118 ASN H H 118 8.280 9.164 -0.884 1
1 533 . 1 1 1 A 118 118 ASN C C 118 175.770 175.358 0.412 1
1 534 . 1 1 1 A 118 118 ASN CA C 118 53.680 53.622 0.058 1
1 535 . 1 1 1 A 118 118 ASN CB C 118 37.150 37.291 -0.141 1
1 536 . 1 1 1 A 118 118 ASN N N 118 118.060 121.863 -3.803 1
1 537 . 1 1 1 A 119 119 LEU H H 119 8.980 8.263 0.717 1
1 538 . 1 1 1 A 119 119 LEU C C 119 178.860 177.400 1.460 1
1 539 . 1 1 1 A 119 119 LEU CA C 119 57.100 56.073 1.027 1
1 540 . 1 1 1 A 119 119 LEU CB C 119 41.940 42.615 -0.675 1
1 541 . 1 1 1 A 119 119 LEU N N 119 115.370 118.478 -3.108 1
1 542 . 1 1 1 A 120 120 GLY H H 120 8.740 8.040 0.700 1
1 543 . 1 1 1 A 120 120 GLY C C 120 174.990 174.826 0.164 1
1 544 . 1 1 1 A 120 120 GLY CA C 120 47.130 46.200 0.930 1
1 545 . 1 1 1 A 120 120 GLY N N 120 102.570 107.617 -5.047 1
1 546 . 1 1 1 A 121 121 LEU H H 121 7.390 8.054 -0.664 1
1 547 . 1 1 1 A 121 121 LEU C C 121 176.370 176.005 0.365 1
1 548 . 1 1 1 A 121 121 LEU CA C 121 54.520 54.201 0.319 1
1 549 . 1 1 1 A 121 121 LEU CB C 121 42.740 42.209 0.531 1
1 550 . 1 1 1 A 121 121 LEU N N 121 118.530 122.244 -3.714 1
1 551 . 1 1 1 A 122 122 ASP H H 122 8.540 8.618 -0.078 1
1 552 . 1 1 1 A 122 122 ASP C C 122 175.910 174.475 1.435 1
1 553 . 1 1 1 A 122 122 ASP CA C 122 53.750 54.089 -0.339 1
1 554 . 1 1 1 A 122 122 ASP CB C 122 43.530 43.714 -0.184 1
1 555 . 1 1 1 A 122 122 ASP N N 122 124.900 123.353 1.547 1
1 556 . 1 1 1 A 123 123 SER H H 123 9.340 8.823 0.517 1
1 557 . 1 1 1 A 123 123 SER C C 123 172.400 172.750 -0.350 1
1 558 . 1 1 1 A 123 123 SER CA C 123 55.910 55.462 0.448 1
1 559 . 1 1 1 A 123 123 SER CB C 123 66.700 64.676 2.024 1
1 560 . 1 1 1 A 123 123 SER N N 123 122.750 123.046 -0.296 1
1 561 . 1 1 1 A 124 124 PRO C C 124 177.600 177.226 0.374 1
1 562 . 1 1 1 A 124 124 PRO CA C 124 61.650 62.770 -1.120 1
1 563 . 1 1 1 A 124 124 PRO CB C 124 32.650 32.614 0.036 1
1 564 . 1 1 1 A 125 125 ILE H H 125 7.660 8.885 -1.225 1
1 565 . 1 1 1 A 125 125 ILE C C 125 176.510 177.328 -0.818 1
1 566 . 1 1 1 A 125 125 ILE CA C 125 64.590 63.064 1.526 1
1 567 . 1 1 1 A 125 125 ILE CB C 125 36.210 36.789 -0.579 1
1 568 . 1 1 1 A 125 125 ILE N N 125 125.060 122.657 2.403 1
1 569 . 1 1 1 A 126 126 ALA H H 126 7.110 8.053 -0.943 1
1 570 . 1 1 1 A 126 126 ALA C C 126 179.090 178.799 0.291 1
1 571 . 1 1 1 A 126 126 ALA CA C 126 53.800 54.322 -0.522 1
1 572 . 1 1 1 A 126 126 ALA CB C 126 19.010 18.358 0.652 1
1 573 . 1 1 1 A 126 126 ALA N N 126 118.950 122.783 -3.833 1
1 574 . 1 1 1 A 127 127 GLN H H 127 6.830 7.722 -0.892 1
1 575 . 1 1 1 A 127 127 GLN C C 127 177.540 176.765 0.775 1
1 576 . 1 1 1 A 127 127 GLN CA C 127 56.520 56.105 0.415 1
1 577 . 1 1 1 A 127 127 GLN CB C 127 29.370 29.214 0.156 1
1 578 . 1 1 1 A 127 127 GLN N N 127 113.450 114.726 -1.276 1
1 579 . 1 1 1 A 128 128 GLY H H 128 8.040 8.198 -0.158 1
1 580 . 1 1 1 A 128 128 GLY C C 128 175.140 175.410 -0.270 1
1 581 . 1 1 1 A 128 128 GLY CA C 128 46.130 46.207 -0.077 1
1 582 . 1 1 1 A 128 128 GLY N N 128 107.460 108.927 -1.467 1
1 583 . 1 1 1 A 129 129 ARG H H 129 8.660 8.813 -0.153 1
1 584 . 1 1 1 A 129 129 ARG C C 129 174.880 176.786 -1.906 1
1 585 . 1 1 1 A 129 129 ARG CA C 129 56.900 57.729 -0.829 1
1 586 . 1 1 1 A 129 129 ARG CB C 129 29.380 29.310 0.070 1
1 587 . 1 1 1 A 129 129 ARG N N 129 123.010 125.275 -2.265 1
1 588 . 1 1 1 A 130 130 ASP H H 130 7.570 8.022 -0.452 1
1 589 . 1 1 1 A 130 130 ASP C C 130 177.030 177.032 -0.002 1
1 590 . 1 1 1 A 130 130 ASP CA C 130 54.400 54.858 -0.458 1
1 591 . 1 1 1 A 130 130 ASP CB C 130 41.800 41.146 0.654 1
1 592 . 1 1 1 A 130 130 ASP N N 130 114.790 117.908 -3.118 1
1 593 . 1 1 1 A 131 131 GLY H H 131 7.760 8.043 -0.283 1
1 594 . 1 1 1 A 131 131 GLY C C 131 173.160 174.796 -1.636 1
1 595 . 1 1 1 A 131 131 GLY CA C 131 45.540 45.443 0.097 1
1 596 . 1 1 1 A 131 131 GLY N N 131 107.870 108.232 -0.362 1
1 597 . 1 1 1 A 132 132 THR H H 132 8.620 8.732 -0.112 1
1 598 . 1 1 1 A 132 132 THR C C 132 175.220 176.132 -0.912 1
1 599 . 1 1 1 A 132 132 THR CA C 132 67.100 66.407 0.693 1
1 600 . 1 1 1 A 132 132 THR CB C 132 69.400 68.666 0.734 1
1 601 . 1 1 1 A 132 132 THR N N 132 120.000 116.510 3.490 1
1 602 . 1 1 1 A 133 133 VAL H H 133 8.750 7.929 0.821 1
1 603 . 1 1 1 A 133 133 VAL C C 133 176.570 178.234 -1.664 1
1 604 . 1 1 1 A 133 133 VAL CA C 133 69.130 66.806 2.324 1
1 605 . 1 1 1 A 133 133 VAL CB C 133 31.380 31.631 -0.251 1
1 606 . 1 1 1 A 133 133 VAL N N 133 122.360 121.961 0.399 1
1 607 . 1 1 1 A 134 134 HIS H H 134 8.490 8.231 0.259 1
1 608 . 1 1 1 A 134 134 HIS C C 134 178.370 177.067 1.303 1
1 609 . 1 1 1 A 134 134 HIS CA C 134 62.410 59.924 2.486 1
1 610 . 1 1 1 A 134 134 HIS CB C 134 32.170 29.859 2.311 1
1 611 . 1 1 1 A 134 134 HIS N N 134 119.960 119.304 0.656 1
1 612 . 1 1 1 A 135 135 LYS H H 135 8.580 8.172 0.408 1
1 613 . 1 1 1 A 135 135 LYS C C 135 181.550 179.518 2.032 1
1 614 . 1 1 1 A 135 135 LYS CA C 135 60.940 59.660 1.280 1
1 615 . 1 1 1 A 135 135 LYS CB C 135 32.950 32.614 0.336 1
1 616 . 1 1 1 A 135 135 LYS N N 135 116.210 118.245 -2.035 1
1 617 . 1 1 1 A 136 136 VAL H H 136 9.020 7.774 1.246 1
1 618 . 1 1 1 A 136 136 VAL C C 136 178.260 178.488 -0.228 1
1 619 . 1 1 1 A 136 136 VAL CA C 136 66.520 66.423 0.097 1
1 620 . 1 1 1 A 136 136 VAL CB C 136 31.610 31.653 -0.043 1
1 621 . 1 1 1 A 136 136 VAL N N 136 118.550 120.079 -1.529 1
1 622 . 1 1 1 A 137 137 VAL H H 137 8.170 7.919 0.251 1
1 623 . 1 1 1 A 137 137 VAL C C 137 176.940 177.555 -0.615 1
1 624 . 1 1 1 A 137 137 VAL CA C 137 67.520 65.975 1.545 1
1 625 . 1 1 1 A 137 137 VAL CB C 137 31.970 31.795 0.175 1
1 626 . 1 1 1 A 137 137 VAL N N 137 119.090 120.633 -1.543 1
1 627 . 1 1 1 A 138 138 TYR H H 138 10.070 8.229 1.841 1
1 628 . 1 1 1 A 138 138 TYR C C 138 179.780 178.267 1.513 1
1 629 . 1 1 1 A 138 138 TYR CA C 138 62.330 60.943 1.387 1
1 630 . 1 1 1 A 138 138 TYR CB C 138 39.970 38.300 1.670 1
1 631 . 1 1 1 A 138 138 TYR N N 138 122.740 120.159 2.581 1
1 632 . 1 1 1 A 139 139 GLY H H 139 8.050 8.414 -0.364 1
1 633 . 1 1 1 A 139 139 GLY C C 139 176.380 175.452 0.928 1
1 634 . 1 1 1 A 139 139 GLY CA C 139 48.120 46.979 1.141 1
1 635 . 1 1 1 A 139 139 GLY N N 139 105.770 105.938 -0.168 1
1 636 . 1 1 1 A 140 140 LEU H H 140 7.180 8.100 -0.920 1
1 637 . 1 1 1 A 140 140 LEU C C 140 179.240 178.985 0.255 1
1 638 . 1 1 1 A 140 140 LEU CA C 140 58.250 57.026 1.224 1
1 639 . 1 1 1 A 140 140 LEU CB C 140 41.300 41.259 0.041 1
1 640 . 1 1 1 A 140 140 LEU N N 140 122.690 122.589 0.101 1
1 641 . 1 1 1 A 141 141 MET H H 141 7.850 8.084 -0.234 1
1 642 . 1 1 1 A 141 141 MET C C 141 175.030 177.179 -2.149 1
1 643 . 1 1 1 A 141 141 MET CA C 141 59.710 57.886 1.824 1
1 644 . 1 1 1 A 141 141 MET CB C 141 33.430 32.575 0.855 1
1 645 . 1 1 1 A 141 141 MET N N 141 114.720 117.077 -2.357 1
1 646 . 1 1 1 A 142 142 SER H H 142 7.150 7.731 -0.581 1
1 647 . 1 1 1 A 142 142 SER C C 142 174.320 174.054 0.266 1
1 648 . 1 1 1 A 142 142 SER CA C 142 56.210 58.318 -2.108 1
1 649 . 1 1 1 A 142 142 SER CB C 142 63.630 63.297 0.333 1
1 650 . 1 1 1 A 142 142 SER N N 142 109.450 111.676 -2.226 1
1 651 . 1 1 1 A 143 143 GLY H H 143 7.710 8.292 -0.582 1
1 652 . 1 1 1 A 143 143 GLY C C 143 173.770 173.578 0.192 1
1 653 . 1 1 1 A 143 143 GLY CA C 143 46.880 46.116 0.764 1
1 654 . 1 1 1 A 143 143 GLY N N 143 110.990 110.570 0.420 1
1 655 . 1 1 1 A 144 144 ASP H H 144 8.510 7.951 0.559 1
1 656 . 1 1 1 A 144 144 ASP C C 144 175.520 176.105 -0.585 1
1 657 . 1 1 1 A 144 144 ASP CA C 144 52.460 53.185 -0.725 1
1 658 . 1 1 1 A 144 144 ASP CB C 144 42.190 41.538 0.652 1
1 659 . 1 1 1 A 144 144 ASP N N 144 119.080 120.227 -1.147 1
1 660 . 1 1 1 A 145 145 SER H H 145 9.010 8.955 0.055 1
1 661 . 1 1 1 A 145 145 SER C C 145 175.190 175.975 -0.785 1
1 662 . 1 1 1 A 145 145 SER CA C 145 59.230 59.388 -0.158 1
1 663 . 1 1 1 A 145 145 SER CB C 145 64.280 63.139 1.141 1
1 664 . 1 1 1 A 145 145 SER N N 145 119.690 120.485 -0.795 1
1 665 . 1 1 1 A 146 146 SER H H 146 8.770 7.952 0.818 1
1 666 . 1 1 1 A 146 146 SER C C 146 177.210 176.487 0.723 1
1 667 . 1 1 1 A 146 146 SER CA C 146 62.280 61.903 0.377 1
1 668 . 1 1 1 A 146 146 SER CB C 146 63.420 62.805 0.615 1
1 669 . 1 1 1 A 146 146 SER N N 146 121.270 119.297 1.973 1
1 670 . 1 1 1 A 147 147 ALA H H 147 9.020 7.834 1.186 1
1 671 . 1 1 1 A 147 147 ALA C C 147 181.050 179.877 1.173 1
1 672 . 1 1 1 A 147 147 ALA CA C 147 55.500 54.888 0.612 1
1 673 . 1 1 1 A 147 147 ALA CB C 147 17.440 18.233 -0.793 1
1 674 . 1 1 1 A 147 147 ALA N N 147 127.040 123.327 3.713 1
1 675 . 1 1 1 A 148 148 LEU H H 148 8.240 8.075 0.165 1
1 676 . 1 1 1 A 148 148 LEU C C 148 177.920 178.892 -0.972 1
1 677 . 1 1 1 A 148 148 LEU CA C 148 58.270 57.128 1.142 1
1 678 . 1 1 1 A 148 148 LEU CB C 148 40.980 41.765 -0.785 1
1 679 . 1 1 1 A 148 148 LEU N N 148 120.310 120.187 0.123 1
1 680 . 1 1 1 A 149 149 GLN H H 149 8.990 8.377 0.613 1
1 681 . 1 1 1 A 149 149 GLN C C 149 177.830 179.505 -1.675 1
1 682 . 1 1 1 A 149 149 GLN CA C 149 60.880 58.849 2.031 1
1 683 . 1 1 1 A 149 149 GLN CB C 149 29.070 28.236 0.834 1
1 684 . 1 1 1 A 149 149 GLN N N 149 117.520 117.416 0.104 1
1 685 . 1 1 1 A 150 150 GLY H H 150 8.160 8.199 -0.039 1
1 686 . 1 1 1 A 150 150 GLY C C 150 177.110 176.154 0.956 1
1 687 . 1 1 1 A 150 150 GLY CA C 150 47.160 47.285 -0.125 1
1 688 . 1 1 1 A 150 150 GLY N N 150 104.110 109.014 -4.904 1
1 689 . 1 1 1 A 151 151 GLN H H 151 7.590 7.915 -0.325 1
1 690 . 1 1 1 A 151 151 GLN C C 151 178.150 178.999 -0.849 1
1 691 . 1 1 1 A 151 151 GLN CA C 151 57.340 58.529 -1.189 1
1 692 . 1 1 1 A 151 151 GLN CB C 151 27.560 28.363 -0.803 1
1 693 . 1 1 1 A 151 151 GLN N N 151 119.370 122.479 -3.109 1
1 694 . 1 1 1 A 152 152 ILE H H 152 8.420 8.126 0.294 1
1 695 . 1 1 1 A 152 152 ILE C C 152 177.290 177.482 -0.192 1
1 696 . 1 1 1 A 152 152 ILE CA C 152 64.470 65.310 -0.840 1
1 697 . 1 1 1 A 152 152 ILE CB C 152 36.730 37.152 -0.422 1
1 698 . 1 1 1 A 152 152 ILE N N 152 118.770 121.090 -2.320 1
1 699 . 1 1 1 A 153 153 ASP H H 153 8.470 8.278 0.192 1
1 700 . 1 1 1 A 153 153 ASP C C 153 177.240 178.152 -0.912 1
1 701 . 1 1 1 A 153 153 ASP CA C 153 59.820 57.878 1.942 1
1 702 . 1 1 1 A 153 153 ASP CB C 153 42.860 41.807 1.053 1
1 703 . 1 1 1 A 153 153 ASP N N 153 118.750 121.036 -2.286 1
1 704 . 1 1 1 A 154 154 ALA H H 154 7.220 7.775 -0.555 1
1 705 . 1 1 1 A 154 154 ALA C C 154 172.580 180.037 -7.457 1
1 706 . 1 1 1 A 154 154 ALA CA C 154 55.110 55.020 0.090 1
1 707 . 1 1 1 A 154 154 ALA CB C 154 18.210 18.027 0.183 1
1 708 . 1 1 1 A 154 154 ALA N N 154 117.280 121.992 -4.712 1
1 709 . 1 1 1 A 155 155 LEU H H 155 7.950 8.050 -0.100 1
1 710 . 1 1 1 A 155 155 LEU C C 155 180.270 179.753 0.517 1
1 711 . 1 1 1 A 155 155 LEU CA C 155 57.770 57.576 0.194 1
1 712 . 1 1 1 A 155 155 LEU CB C 155 42.960 41.390 1.570 1
1 713 . 1 1 1 A 155 155 LEU N N 155 119.510 118.535 0.975 1
1 714 . 1 1 1 A 156 156 LEU H H 156 8.570 8.137 0.433 1
1 715 . 1 1 1 A 156 156 LEU C C 156 178.550 179.524 -0.974 1
1 716 . 1 1 1 A 156 156 LEU CA C 156 58.060 57.987 0.073 1
1 717 . 1 1 1 A 156 156 LEU CB C 156 41.380 40.680 0.700 1
1 718 . 1 1 1 A 156 156 LEU N N 156 120.640 119.400 1.240 1
1 719 . 1 1 1 A 157 157 LYS H H 157 7.980 8.130 -0.150 1
1 720 . 1 1 1 A 157 157 LYS C C 157 178.430 179.517 -1.087 1
1 721 . 1 1 1 A 157 157 LYS CA C 157 58.510 58.868 -0.358 1
1 722 . 1 1 1 A 157 157 LYS CB C 157 32.780 32.073 0.707 1
1 723 . 1 1 1 A 157 157 LYS N N 157 118.590 117.923 0.667 1
1 724 . 1 1 1 A 158 158 ALA H H 158 7.280 8.191 -0.911 1
1 725 . 1 1 1 A 158 158 ALA C C 158 179.510 180.048 -0.538 1
1 726 . 1 1 1 A 158 158 ALA CA C 158 53.560 54.617 -1.057 1
1 727 . 1 1 1 A 158 158 ALA CB C 158 18.240 18.082 0.158 1
1 728 . 1 1 1 A 158 158 ALA N N 158 118.400 121.877 -3.477 1
1 729 . 1 1 1 A 159 159 VAL H H 159 7.500 7.440 0.060 1
1 730 . 1 1 1 A 159 159 VAL C C 159 176.690 175.967 0.723 1
1 731 . 1 1 1 A 159 159 VAL CA C 159 65.440 64.294 1.146 1
1 732 . 1 1 1 A 159 159 VAL CB C 159 31.750 32.439 -0.689 1
1 733 . 1 1 1 A 159 159 VAL N N 159 120.020 115.713 4.307 1
1 734 . 1 1 1 A 160 160 ASP H H 160 7.800 7.822 -0.022 1
1 735 . 1 1 1 A 160 160 ASP C C 160 173.900 175.132 -1.232 1
1 736 . 1 1 1 A 160 160 ASP CA C 160 52.200 50.801 1.399 1
1 737 . 1 1 1 A 160 160 ASP CB C 160 43.950 43.170 0.780 1
1 738 . 1 1 1 A 160 160 ASP N N 160 118.820 117.047 1.773 1
1 739 . 1 1 1 A 161 161 PRO C C 161 176.850 176.949 -0.099 1
1 740 . 1 1 1 A 161 161 PRO CA C 161 64.480 64.455 0.025 1
1 741 . 1 1 1 A 161 161 PRO CB C 161 32.120 32.112 0.008 1
1 742 . 1 1 1 A 162 162 SER H H 162 8.920 7.815 1.105 1
1 743 . 1 1 1 A 162 162 SER C C 162 174.570 174.606 -0.036 1
1 744 . 1 1 1 A 162 162 SER CA C 162 59.780 58.455 1.325 1
1 745 . 1 1 1 A 162 162 SER CB C 162 63.990 63.617 0.373 1
1 746 . 1 1 1 A 162 162 SER N N 162 115.000 109.250 5.750 1
1 747 . 1 1 1 A 163 163 LEU H H 163 8.150 7.603 0.547 1
1 748 . 1 1 1 A 163 163 LEU C C 163 174.870 175.679 -0.809 1
1 749 . 1 1 1 A 163 163 LEU CA C 163 53.830 53.977 -0.147 1
1 750 . 1 1 1 A 163 163 LEU CB C 163 43.510 43.676 -0.166 1
1 751 . 1 1 1 A 163 163 LEU N N 163 124.260 124.096 0.164 1
1 752 . 1 1 1 A 164 164 SER H H 164 8.240 8.725 -0.485 1
1 753 . 1 1 1 A 164 164 SER C C 164 175.130 175.053 0.077 1
1 754 . 1 1 1 A 164 164 SER CA C 164 58.080 57.196 0.884 1
1 755 . 1 1 1 A 164 164 SER CB C 164 67.580 65.811 1.769 1
1 756 . 1 1 1 A 164 164 SER N N 164 109.830 116.842 -7.012 1
1 757 . 1 1 1 A 165 165 ILE H H 165 9.090 8.595 0.495 1
1 758 . 1 1 1 A 165 165 ILE C C 165 174.170 176.453 -2.283 1
1 759 . 1 1 1 A 165 165 ILE CA C 165 62.070 63.146 -1.076 1
1 760 . 1 1 1 A 165 165 ILE CB C 165 39.080 37.881 1.199 1
1 761 . 1 1 1 A 165 165 ILE N N 165 114.830 115.977 -1.147 1
1 762 . 1 1 1 A 166 166 ASN H H 166 8.410 7.972 0.438 1
1 763 . 1 1 1 A 166 166 ASN C C 166 174.810 175.364 -0.554 1
1 764 . 1 1 1 A 166 166 ASN CA C 166 53.480 53.608 -0.128 1
1 765 . 1 1 1 A 166 166 ASN CB C 166 39.110 39.001 0.109 1
1 766 . 1 1 1 A 166 166 ASN N N 166 116.650 118.848 -2.198 1
1 767 . 1 1 1 A 167 167 SER H H 167 7.920 7.649 0.271 1
1 768 . 1 1 1 A 167 167 SER C C 167 173.250 174.179 -0.929 1
1 769 . 1 1 1 A 167 167 SER CA C 167 60.060 58.661 1.399 1
1 770 . 1 1 1 A 167 167 SER CB C 167 64.350 64.103 0.247 1
1 771 . 1 1 1 A 167 167 SER N N 167 119.420 116.822 2.598 1
1 772 . 1 1 1 A 168 168 THR H H 168 8.400 8.672 -0.272 1
1 773 . 1 1 1 A 168 168 THR C C 168 176.960 176.407 0.553 1
1 774 . 1 1 1 A 168 168 THR CA C 168 59.860 61.145 -1.285 1
1 775 . 1 1 1 A 168 168 THR CB C 168 71.410 70.740 0.670 1
1 776 . 1 1 1 A 168 168 THR N N 168 111.250 114.319 -3.069 1
1 777 . 1 1 1 A 169 169 PHE H H 169 8.010 8.675 -0.665 1
1 778 . 1 1 1 A 169 169 PHE C C 169 177.770 177.511 0.259 1
1 779 . 1 1 1 A 169 169 PHE CA C 169 64.110 60.302 3.808 1
1 780 . 1 1 1 A 169 169 PHE CB C 169 35.890 37.300 -1.410 1
1 781 . 1 1 1 A 169 169 PHE N N 169 118.870 122.533 -3.663 1
1 782 . 1 1 1 A 170 170 ASP H H 170 8.500 8.110 0.390 1
1 783 . 1 1 1 A 170 170 ASP C C 170 180.210 178.898 1.312 1
1 784 . 1 1 1 A 170 170 ASP CA C 170 57.850 57.160 0.690 1
1 785 . 1 1 1 A 170 170 ASP CB C 170 41.060 40.210 0.850 1
1 786 . 1 1 1 A 170 170 ASP N N 170 116.690 118.706 -2.016 1
1 787 . 1 1 1 A 171 171 GLN H H 171 8.090 7.850 0.240 1
1 788 . 1 1 1 A 171 171 GLN C C 171 180.330 178.338 1.992 1
1 789 . 1 1 1 A 171 171 GLN CA C 171 59.020 58.609 0.411 1
1 790 . 1 1 1 A 171 171 GLN CB C 171 28.030 28.192 -0.162 1
1 791 . 1 1 1 A 171 171 GLN N N 171 121.600 119.773 1.827 1
1 792 . 1 1 1 A 172 172 LEU H H 172 8.320 8.287 0.033 1
1 793 . 1 1 1 A 172 172 LEU C C 172 179.490 179.558 -0.068 1
1 794 . 1 1 1 A 172 172 LEU CA C 172 57.310 57.580 -0.270 1
1 795 . 1 1 1 A 172 172 LEU CB C 172 41.450 40.740 0.710 1
1 796 . 1 1 1 A 172 172 LEU N N 172 120.550 119.472 1.078 1
1 797 . 1 1 1 A 173 173 ALA H H 173 8.920 7.977 0.943 1
1 798 . 1 1 1 A 173 173 ALA C C 173 182.280 179.648 2.632 1
1 799 . 1 1 1 A 173 173 ALA CA C 173 54.710 55.078 -0.368 1
1 800 . 1 1 1 A 173 173 ALA CB C 173 18.600 18.241 0.359 1
1 801 . 1 1 1 A 173 173 ALA N N 173 126.640 122.409 4.231 1
1 802 . 1 1 1 A 174 174 ALA H H 174 8.080 8.183 -0.103 1
1 803 . 1 1 1 A 174 174 ALA C C 174 179.040 179.647 -0.607 1
1 804 . 1 1 1 A 174 174 ALA CA C 174 54.720 54.862 -0.142 1
1 805 . 1 1 1 A 174 174 ALA CB C 174 17.700 18.073 -0.373 1
1 806 . 1 1 1 A 174 174 ALA N N 174 123.990 120.099 3.891 1
1 807 . 1 1 1 A 175 175 ALA H H 175 7.350 7.554 -0.204 1
1 808 . 1 1 1 A 175 175 ALA C C 175 177.680 177.713 -0.033 1
1 809 . 1 1 1 A 175 175 ALA CA C 175 52.070 52.046 0.024 1
1 810 . 1 1 1 A 175 175 ALA CB C 175 20.420 19.394 1.026 1
1 811 . 1 1 1 A 175 175 ALA N N 175 117.180 117.869 -0.689 1
1 812 . 1 1 1 A 176 176 GLY H H 176 7.860 7.813 0.047 1
1 813 . 1 1 1 A 176 176 GLY C C 176 174.540 174.830 -0.290 1
1 814 . 1 1 1 A 176 176 GLY CA C 176 45.580 45.543 0.037 1
1 815 . 1 1 1 A 176 176 GLY N N 176 105.390 105.888 -0.498 1
1 816 . 1 1 1 A 177 177 VAL H H 177 7.600 8.018 -0.418 1
1 817 . 1 1 1 A 177 177 VAL C C 177 173.630 175.791 -2.161 1
1 818 . 1 1 1 A 177 177 VAL CA C 177 62.040 63.462 -1.422 1
1 819 . 1 1 1 A 177 177 VAL CB C 177 33.110 32.838 0.272 1
1 820 . 1 1 1 A 177 177 VAL N N 177 113.850 118.039 -4.189 1
1 821 . 1 1 1 A 178 178 ALA H H 178 6.910 7.714 -0.804 1
1 822 . 1 1 1 A 178 178 ALA C C 178 175.350 175.121 0.229 1
1 823 . 1 1 1 A 178 178 ALA CA C 178 48.670 49.959 -1.289 1
1 824 . 1 1 1 A 178 178 ALA CB C 178 24.400 22.642 1.758 1
1 825 . 1 1 1 A 178 178 ALA N N 178 119.610 122.482 -2.872 1
1 826 . 1 1 1 A 179 179 HIS H H 179 8.670 8.915 -0.245 1
1 827 . 1 1 1 A 179 179 HIS C C 179 172.520 174.282 -1.762 1
1 828 . 1 1 1 A 179 179 HIS CA C 179 55.040 54.674 0.366 1
1 829 . 1 1 1 A 179 179 HIS CB C 179 31.730 32.865 -1.135 1
1 830 . 1 1 1 A 179 179 HIS N N 179 116.470 117.326 -0.856 1
1 831 . 1 1 1 A 180 180 ALA H H 180 8.470 8.780 -0.310 1
1 832 . 1 1 1 A 180 180 ALA C C 180 178.680 177.474 1.206 1
1 833 . 1 1 1 A 180 180 ALA CA C 180 50.590 51.086 -0.496 1
1 834 . 1 1 1 A 180 180 ALA CB C 180 19.480 19.487 -0.007 1
1 835 . 1 1 1 A 180 180 ALA N N 180 127.900 126.416 1.484 1
1 836 . 1 1 1 A 181 181 THR H H 181 8.560 8.620 -0.060 1
1 837 . 1 1 1 A 181 181 THR C C 181 172.400 172.238 0.162 1
1 838 . 1 1 1 A 181 181 THR CA C 181 58.960 58.380 0.580 1
1 839 . 1 1 1 A 181 181 THR CB C 181 69.080 69.476 -0.396 1
1 840 . 1 1 1 A 181 181 THR N N 181 117.730 112.732 4.998 1
1 841 . 1 1 1 A 182 182 PRO C C 182 176.760 177.426 -0.666 1
1 842 . 1 1 1 A 182 182 PRO CA C 182 63.060 62.861 0.199 1
1 843 . 1 1 1 A 182 182 PRO CB C 182 32.290 32.603 -0.313 1
1 844 . 1 1 1 A 183 183 ALA H H 183 8.260 8.633 -0.373 1
1 845 . 1 1 1 A 183 183 ALA C C 183 176.440 177.169 -0.729 1
1 846 . 1 1 1 A 183 183 ALA CA C 183 52.400 54.894 -2.494 1
1 847 . 1 1 1 A 183 183 ALA CB C 183 19.520 18.199 1.321 1
1 848 . 1 1 1 A 183 183 ALA N N 183 126.100 125.534 0.566 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 178 1.541 1
2 1 1 1 "RMS(OBS, PRED)" CA 178 1.230 1
3 1 1 1 "RMS(OBS, PRED)" CB 155 1.258 1
4 1 1 1 "RMS(OBS, PRED)" H 167 0.622 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 167 2.912 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 4 . 1 1 A 3 3 ILE H H 3 8.620 8.367 0.253 2
1 5 . 1 1 A 3 3 ILE C C 3 171.960 174.456 -2.496 2
1 6 . 1 1 A 3 3 ILE CA C 3 61.440 62.288 -0.848 2
1 7 . 1 1 A 3 3 ILE CB C 3 38.610 38.956 -0.346 2
1 8 . 1 1 A 3 3 ILE N N 3 122.190 124.953 -2.763 2
1 9 . 1 1 A 4 4 SER H H 4 8.080 8.834 -0.754 2
1 10 . 1 1 A 4 4 SER C C 4 174.250 173.106 1.144 2
1 11 . 1 1 A 4 4 SER CA C 4 56.360 56.706 -0.346 2
1 12 . 1 1 A 4 4 SER CB C 4 65.080 65.046 0.034 2
1 13 . 1 1 A 4 4 SER N N 4 118.790 123.912 -5.122 2
1 14 . 1 1 A 5 5 ILE H H 5 8.610 9.029 -0.419 2
1 15 . 1 1 A 5 5 ILE C C 5 174.970 174.269 0.701 2
1 16 . 1 1 A 5 5 ILE CA C 5 59.910 60.132 -0.222 2
1 17 . 1 1 A 5 5 ILE CB C 5 42.830 41.081 1.749 2
1 18 . 1 1 A 5 5 ILE N N 5 127.310 128.857 -1.547 2
1 19 . 1 1 A 6 6 SER H H 6 8.830 8.998 -0.168 2
1 20 . 1 1 A 6 6 SER C C 6 172.670 172.515 0.155 2
1 21 . 1 1 A 6 6 SER CA C 6 56.260 56.302 -0.042 2
1 22 . 1 1 A 6 6 SER CB C 6 65.110 65.416 -0.306 2
1 23 . 1 1 A 6 6 SER N N 6 124.450 123.138 1.312 2
1 24 . 1 1 A 7 7 TYR H H 7 7.950 8.863 -0.913 2
1 25 . 1 1 A 7 7 TYR C C 7 172.540 172.633 -0.093 2
1 26 . 1 1 A 7 7 TYR CA C 7 54.750 55.557 -0.807 2
1 27 . 1 1 A 7 7 TYR CB C 7 41.280 40.913 0.367 2
1 28 . 1 1 A 7 7 TYR N N 7 120.160 121.696 -1.536 2
1 29 . 1 1 A 8 8 SER H H 8 8.130 8.481 -0.351 2
1 30 . 1 1 A 8 8 SER C C 8 178.440 175.288 3.152 2
1 31 . 1 1 A 8 8 SER CA C 8 56.870 58.304 -1.434 2
1 32 . 1 1 A 8 8 SER CB C 8 63.710 63.522 0.188 2
1 33 . 1 1 A 8 8 SER N N 8 115.740 116.718 -0.978 2
1 34 . 1 1 A 9 9 THR H H 9 8.480 8.765 -0.285 2
1 35 . 1 1 A 9 9 THR C C 9 176.180 176.404 -0.224 2
1 36 . 1 1 A 9 9 THR CA C 9 65.440 64.632 0.808 2
1 37 . 1 1 A 9 9 THR CB C 9 68.720 68.793 -0.073 2
1 38 . 1 1 A 9 9 THR N N 9 118.760 121.128 -2.368 2
1 39 . 1 1 A 10 10 THR H H 10 7.680 7.689 -0.009 2
1 40 . 1 1 A 10 10 THR C C 10 174.750 174.904 -0.154 2
1 41 . 1 1 A 10 10 THR CA C 10 65.550 65.921 -0.371 2
1 42 . 1 1 A 10 10 THR CB C 10 69.460 68.201 1.259 2
1 43 . 1 1 A 10 10 THR N N 10 119.930 114.980 4.950 2
1 44 . 1 1 A 11 11 TYR H H 11 7.870 7.717 0.153 2
1 45 . 1 1 A 11 11 TYR C C 11 175.120 176.257 -1.137 2
1 46 . 1 1 A 11 11 TYR CA C 11 58.470 57.202 1.268 2
1 47 . 1 1 A 11 11 TYR CB C 11 38.140 37.774 0.366 2
1 48 . 1 1 A 11 11 TYR N N 11 117.710 117.543 0.167 2
1 49 . 1 1 A 12 12 SER H H 12 7.670 7.871 -0.201 2
1 50 . 1 1 A 12 12 SER C C 12 176.600 176.402 0.198 2
1 51 . 1 1 A 12 12 SER CA C 12 62.580 62.569 0.011 2
1 52 . 1 1 A 12 12 SER CB C 12 64.010 63.006 1.004 2
1 53 . 1 1 A 12 12 SER N N 12 115.800 117.418 -1.618 2
1 54 . 1 1 A 13 13 GLY H H 13 8.040 8.129 -0.089 2
1 55 . 1 1 A 13 13 GLY C C 13 175.090 174.284 0.806 2
1 56 . 1 1 A 13 13 GLY CA C 13 46.130 45.349 0.781 2
1 57 . 1 1 A 13 13 GLY N N 13 105.780 108.321 -2.541 2
1 58 . 1 1 A 14 14 TRP H H 14 8.660 7.675 0.985 2
1 59 . 1 1 A 14 14 TRP C C 14 176.260 176.435 -0.175 2
1 60 . 1 1 A 14 14 TRP CA C 14 57.230 57.453 -0.223 2
1 61 . 1 1 A 14 14 TRP CB C 14 29.050 31.447 -2.397 2
1 62 . 1 1 A 14 14 TRP N N 14 123.010 121.506 1.504 2
1 63 . 1 1 A 15 15 THR H H 15 8.830 8.825 0.005 2
1 64 . 1 1 A 15 15 THR C C 15 175.610 176.138 -0.528 2
1 65 . 1 1 A 15 15 THR CA C 15 59.940 60.351 -0.411 2
1 66 . 1 1 A 15 15 THR CB C 15 70.720 71.427 -0.707 2
1 67 . 1 1 A 15 15 THR N N 15 109.410 114.433 -5.023 2
1 68 . 1 1 A 16 16 VAL H H 16 7.330 8.872 -1.542 2
1 69 . 1 1 A 16 16 VAL C C 16 178.470 177.386 1.084 2
1 70 . 1 1 A 16 16 VAL CA C 16 66.470 66.359 0.111 2
1 71 . 1 1 A 16 16 VAL CB C 16 30.820 31.468 -0.648 2
1 72 . 1 1 A 16 16 VAL N N 16 120.780 122.021 -1.241 2
1 73 . 1 1 A 17 17 ALA H H 17 8.500 8.228 0.272 2
1 74 . 1 1 A 17 17 ALA C C 17 179.580 179.939 -0.359 2
1 75 . 1 1 A 17 17 ALA CA C 17 55.480 55.891 -0.411 2
1 76 . 1 1 A 17 17 ALA CB C 17 18.880 18.225 0.655 2
1 77 . 1 1 A 17 17 ALA N N 17 119.910 122.204 -2.294 2
1 78 . 1 1 A 18 18 ASP H H 18 8.220 8.118 0.102 2
1 79 . 1 1 A 18 18 ASP C C 18 180.100 178.604 1.496 2
1 80 . 1 1 A 18 18 ASP CA C 18 57.300 57.435 -0.135 2
1 81 . 1 1 A 18 18 ASP CB C 18 39.770 40.145 -0.375 2
1 82 . 1 1 A 18 18 ASP N N 18 118.380 117.398 0.982 2
1 83 . 1 1 A 19 19 TYR H H 19 8.850 8.016 0.834 2
1 84 . 1 1 A 19 19 TYR C C 19 176.890 177.162 -0.272 2
1 85 . 1 1 A 19 19 TYR CA C 19 63.400 61.702 1.698 2
1 86 . 1 1 A 19 19 TYR CB C 19 39.070 39.090 -0.020 2
1 87 . 1 1 A 19 19 TYR N N 19 121.470 123.631 -2.161 2
1 88 . 1 1 A 20 20 LEU H H 20 8.780 8.334 0.446 2
1 89 . 1 1 A 20 20 LEU C C 20 179.530 179.377 0.153 2
1 90 . 1 1 A 20 20 LEU CA C 20 58.010 58.013 -0.003 2
1 91 . 1 1 A 20 20 LEU CB C 20 41.690 41.327 0.363 2
1 92 . 1 1 A 20 20 LEU N N 20 118.740 120.205 -1.465 2
1 93 . 1 1 A 21 21 ALA H H 21 8.450 8.453 -0.003 2
1 94 . 1 1 A 21 21 ALA C C 21 180.420 179.109 1.311 2
1 95 . 1 1 A 21 21 ALA CA C 21 55.350 55.333 0.017 2
1 96 . 1 1 A 21 21 ALA CB C 21 18.440 17.788 0.652 2
1 97 . 1 1 A 21 21 ALA N N 21 122.520 122.242 0.278 2
1 98 . 1 1 A 22 22 ASP H H 22 7.920 8.145 -0.225 2
1 99 . 1 1 A 22 22 ASP C C 22 178.380 178.374 0.006 2
1 100 . 1 1 A 22 22 ASP CA C 22 57.780 58.005 -0.225 2
1 101 . 1 1 A 22 22 ASP CB C 22 42.740 41.573 1.167 2
1 102 . 1 1 A 22 22 ASP N N 22 120.740 119.056 1.684 2
1 103 . 1 1 A 23 23 TRP H H 23 9.110 8.105 1.005 2
1 104 . 1 1 A 23 23 TRP C C 23 178.700 178.615 0.085 2
1 105 . 1 1 A 23 23 TRP CA C 23 63.220 61.536 1.684 2
1 106 . 1 1 A 23 23 TRP CB C 23 28.680 29.087 -0.407 2
1 107 . 1 1 A 23 23 TRP N N 23 122.120 122.021 0.099 2
1 108 . 1 1 A 24 24 SER H H 24 8.620 8.231 0.389 2
1 109 . 1 1 A 24 24 SER C C 24 177.010 177.049 -0.039 2
1 110 . 1 1 A 24 24 SER CA C 24 62.630 61.625 1.005 2
1 111 . 1 1 A 24 24 SER CB C 24 64.250 63.196 1.054 2
1 112 . 1 1 A 24 24 SER N N 24 113.350 114.459 -1.109 2
1 113 . 1 1 A 25 25 ALA H H 25 7.450 7.973 -0.523 2
1 114 . 1 1 A 25 25 ALA C C 25 178.900 179.122 -0.222 2
1 115 . 1 1 A 25 25 ALA CA C 25 54.410 54.902 -0.492 2
1 116 . 1 1 A 25 25 ALA CB C 25 18.030 18.363 -0.333 2
1 117 . 1 1 A 25 25 ALA N N 25 124.260 123.069 1.191 2
1 118 . 1 1 A 26 26 TYR H H 26 7.420 7.678 -0.258 2
1 119 . 1 1 A 26 26 TYR C C 26 177.990 178.550 -0.560 2
1 120 . 1 1 A 26 26 TYR CA C 26 58.410 61.187 -2.777 2
1 121 . 1 1 A 26 26 TYR CB C 26 39.650 38.335 1.315 2
1 122 . 1 1 A 26 26 TYR N N 26 120.360 115.931 4.429 2
1 123 . 1 1 A 27 27 PHE H H 27 8.510 8.045 0.465 2
1 124 . 1 1 A 27 27 PHE C C 27 176.810 175.653 1.157 2
1 125 . 1 1 A 27 27 PHE CA C 27 58.120 60.882 -2.762 2
1 126 . 1 1 A 27 27 PHE CB C 27 38.940 38.629 0.311 2
1 127 . 1 1 A 27 27 PHE N N 27 123.340 120.634 2.706 2
1 128 . 1 1 A 28 28 GLY H H 28 8.270 7.842 0.428 2
1 129 . 1 1 A 28 28 GLY C C 28 177.290 172.661 4.629 2
1 130 . 1 1 A 28 28 GLY CA C 28 44.740 45.255 -0.515 2
1 131 . 1 1 A 28 28 GLY N N 28 108.250 106.896 1.354 2
1 132 . 1 1 A 29 29 ASP H H 29 7.280 8.448 -1.168 2
1 133 . 1 1 A 29 29 ASP C C 29 178.100 176.180 1.920 2
1 134 . 1 1 A 29 29 ASP CA C 29 51.470 52.742 -1.272 2
1 135 . 1 1 A 29 29 ASP CB C 29 42.720 43.135 -0.415 2
1 136 . 1 1 A 29 29 ASP N N 29 116.350 122.654 -6.304 2
1 137 . 1 1 A 30 30 VAL H H 30 7.970 8.467 -0.497 2
1 138 . 1 1 A 30 30 VAL C C 30 176.410 175.961 0.449 2
1 139 . 1 1 A 30 30 VAL CA C 30 61.290 61.800 -0.510 2
1 140 . 1 1 A 30 30 VAL CB C 30 30.980 31.993 -1.013 2
1 141 . 1 1 A 30 30 VAL N N 30 118.440 121.709 -3.269 2
1 142 . 1 1 A 31 31 ASN H H 31 8.940 8.164 0.776 2
1 143 . 1 1 A 31 31 ASN C C 31 172.600 175.517 -2.917 2
1 144 . 1 1 A 31 31 ASN CA C 31 53.090 54.121 -1.031 2
1 145 . 1 1 A 31 31 ASN CB C 31 35.770 37.096 -1.326 2
1 146 . 1 1 A 31 31 ASN N N 31 123.830 120.159 3.671 2
1 147 . 1 1 A 34 34 PRO C C 34 177.520 177.563 -0.043 2
1 148 . 1 1 A 34 34 PRO CA C 34 65.590 63.636 1.954 2
1 149 . 1 1 A 34 34 PRO CB C 34 32.450 31.387 1.063 2
1 150 . 1 1 A 35 35 GLY H H 35 9.590 8.772 0.818 2
1 151 . 1 1 A 35 35 GLY C C 35 175.030 174.789 0.241 2
1 152 . 1 1 A 35 35 GLY CA C 35 45.940 45.499 0.441 2
1 153 . 1 1 A 35 35 GLY N N 35 113.920 112.692 1.228 2
1 154 . 1 1 A 36 36 GLN H H 36 8.230 8.097 0.133 2
1 155 . 1 1 A 36 36 GLN C C 36 180.290 174.470 5.820 2
1 156 . 1 1 A 36 36 GLN CA C 36 53.970 55.333 -1.363 2
1 157 . 1 1 A 36 36 GLN CB C 36 30.800 29.789 1.011 2
1 158 . 1 1 A 36 36 GLN N N 36 116.740 117.507 -0.767 2
1 159 . 1 1 A 37 37 VAL H H 37 7.850 7.692 0.158 2
1 160 . 1 1 A 37 37 VAL C C 37 173.900 175.046 -1.146 2
1 161 . 1 1 A 37 37 VAL CA C 37 60.300 61.692 -1.392 2
1 162 . 1 1 A 37 37 VAL CB C 37 33.490 33.223 0.267 2
1 163 . 1 1 A 37 37 VAL N N 37 122.300 120.400 1.900 2
1 164 . 1 1 A 38 38 VAL H H 38 8.590 9.036 -0.446 2
1 165 . 1 1 A 38 38 VAL C C 38 176.690 174.765 1.925 2
1 166 . 1 1 A 38 38 VAL CA C 38 61.290 62.498 -1.208 2
1 167 . 1 1 A 38 38 VAL CB C 38 30.480 33.481 -3.001 2
1 168 . 1 1 A 38 38 VAL N N 38 131.030 127.030 4.000 2
1 169 . 1 1 A 39 39 ASP H H 39 7.790 7.625 0.165 2
1 170 . 1 1 A 39 39 ASP C C 39 177.210 176.025 1.185 2
1 171 . 1 1 A 39 39 ASP CA C 39 53.050 53.164 -0.114 2
1 172 . 1 1 A 39 39 ASP CB C 39 42.910 41.237 1.673 2
1 173 . 1 1 A 39 39 ASP N N 39 118.310 118.125 0.185 2
1 174 . 1 1 A 40 40 GLY H H 40 8.110 9.090 -0.980 2
1 175 . 1 1 A 40 40 GLY C C 40 173.890 175.383 -1.493 2
1 176 . 1 1 A 40 40 GLY CA C 40 45.730 45.879 -0.149 2
1 177 . 1 1 A 40 40 GLY N N 40 112.340 107.613 4.727 2
1 178 . 1 1 A 41 41 SER H H 41 8.050 8.313 -0.263 2
1 179 . 1 1 A 41 41 SER C C 41 174.170 174.996 -0.826 2
1 180 . 1 1 A 41 41 SER CA C 41 58.780 60.834 -2.054 2
1 181 . 1 1 A 41 41 SER CB C 41 62.170 63.167 -0.997 2
1 182 . 1 1 A 41 41 SER N N 41 115.050 114.112 0.938 2
1 183 . 1 1 A 42 42 ASN H H 42 7.490 8.100 -0.610 2
1 184 . 1 1 A 42 42 ASN C C 42 176.400 176.218 0.182 2
1 185 . 1 1 A 42 42 ASN CA C 42 52.710 52.254 0.456 2
1 186 . 1 1 A 42 42 ASN CB C 42 38.690 39.104 -0.414 2
1 187 . 1 1 A 42 42 ASN N N 42 114.780 116.720 -1.940 2
1 188 . 1 1 A 43 43 THR H H 43 6.870 7.798 -0.928 2
1 189 . 1 1 A 43 43 THR C C 43 175.630 174.931 0.699 2
1 190 . 1 1 A 43 43 THR CA C 43 61.460 62.684 -1.224 2
1 191 . 1 1 A 43 43 THR CB C 43 71.010 71.081 -0.071 2
1 192 . 1 1 A 43 43 THR N N 43 105.690 111.458 -5.768 2
1 193 . 1 1 A 44 44 GLY H H 44 8.430 7.799 0.631 2
1 194 . 1 1 A 44 44 GLY C C 44 173.650 172.793 0.857 2
1 195 . 1 1 A 44 44 GLY CA C 44 45.680 44.741 0.939 2
1 196 . 1 1 A 44 44 GLY N N 44 111.870 110.163 1.707 2
1 197 . 1 1 A 45 45 GLY H H 45 8.170 8.182 -0.012 2
1 198 . 1 1 A 45 45 GLY C C 45 170.480 171.830 -1.350 2
1 199 . 1 1 A 45 45 GLY CA C 45 45.990 45.476 0.514 2
1 200 . 1 1 A 45 45 GLY N N 45 107.340 107.154 0.186 2
1 201 . 1 1 A 46 46 PHE H H 46 9.460 8.462 0.998 2
1 202 . 1 1 A 46 46 PHE C C 46 176.160 174.501 1.659 2
1 203 . 1 1 A 46 46 PHE CA C 46 57.030 57.066 -0.036 2
1 204 . 1 1 A 46 46 PHE CB C 46 44.260 41.987 2.273 2
1 205 . 1 1 A 46 46 PHE N N 46 117.630 119.471 -1.841 2
1 206 . 1 1 A 47 47 ASN H H 47 8.960 8.764 0.196 2
1 207 . 1 1 A 47 47 ASN C C 47 175.200 174.827 0.373 2
1 208 . 1 1 A 47 47 ASN CA C 47 48.990 49.337 -0.347 2
1 209 . 1 1 A 47 47 ASN CB C 47 42.830 40.063 2.767 2
1 210 . 1 1 A 47 47 ASN N N 47 116.330 121.461 -5.131 2
1 211 . 1 1 A 48 48 PRO CA C 48 65.430 63.511 1.919 2
1 212 . 1 1 A 48 48 PRO CB C 48 34.590 32.395 2.195 2
1 213 . 1 1 A 49 49 GLY H H 49 8.030 8.246 -0.216 2
1 214 . 1 1 A 49 49 GLY C C 49 176.300 173.634 2.666 2
1 215 . 1 1 A 49 49 GLY CA C 49 46.280 44.655 1.625 2
1 216 . 1 1 A 49 49 GLY N N 49 105.750 110.186 -4.436 2
1 217 . 1 1 A 50 50 PRO C C 50 176.160 176.332 -0.172 2
1 218 . 1 1 A 50 50 PRO CA C 50 64.500 64.395 0.105 2
1 219 . 1 1 A 50 50 PRO CB C 50 34.350 31.328 3.022 2
1 220 . 1 1 A 51 51 PHE H H 51 8.890 8.085 0.805 2
1 221 . 1 1 A 51 51 PHE C C 51 170.930 173.920 -2.990 2
1 222 . 1 1 A 51 51 PHE CA C 51 56.590 57.291 -0.701 2
1 223 . 1 1 A 51 51 PHE CB C 51 40.660 40.174 0.486 2
1 224 . 1 1 A 51 51 PHE N N 51 117.220 116.249 0.971 2
1 225 . 1 1 A 52 52 ASP H H 52 6.650 7.789 -1.139 2
1 226 . 1 1 A 52 52 ASP C C 52 174.870 175.118 -0.248 2
1 227 . 1 1 A 52 52 ASP CA C 52 51.840 53.016 -1.176 2
1 228 . 1 1 A 52 52 ASP CB C 52 45.750 45.017 0.733 2
1 229 . 1 1 A 52 52 ASP N N 52 113.580 117.404 -3.824 2
1 230 . 1 1 A 53 53 GLY H H 53 8.680 8.317 0.363 2
1 231 . 1 1 A 53 53 GLY C C 53 171.370 174.064 -2.694 2
1 232 . 1 1 A 53 53 GLY CA C 53 47.310 45.776 1.534 2
1 233 . 1 1 A 53 53 GLY N N 53 106.820 109.380 -2.560 2
1 234 . 1 1 A 54 54 SER H H 54 8.900 8.906 -0.006 2
1 235 . 1 1 A 54 54 SER C C 54 176.840 174.053 2.787 2
1 236 . 1 1 A 54 54 SER CA C 54 58.120 59.883 -1.763 2
1 237 . 1 1 A 54 54 SER CB C 54 63.960 63.909 0.051 2
1 238 . 1 1 A 54 54 SER N N 54 114.070 113.816 0.254 2
1 239 . 1 1 A 55 55 GLN H H 55 8.110 7.563 0.547 2
1 240 . 1 1 A 55 55 GLN C C 55 175.260 173.444 1.816 2
1 241 . 1 1 A 55 55 GLN CA C 55 54.510 54.739 -0.229 2
1 242 . 1 1 A 55 55 GLN CB C 55 37.200 33.189 4.011 2
1 243 . 1 1 A 55 55 GLN N N 55 117.130 119.097 -1.967 2
1 244 . 1 1 A 56 56 TYR H H 56 9.460 8.862 0.598 2
1 245 . 1 1 A 56 56 TYR C C 56 172.170 173.334 -1.164 2
1 246 . 1 1 A 56 56 TYR CA C 56 57.300 56.034 1.266 2
1 247 . 1 1 A 56 56 TYR CB C 56 42.410 41.669 0.741 2
1 248 . 1 1 A 56 56 TYR N N 56 122.800 124.051 -1.251 2
1 249 . 1 1 A 57 57 ALA H H 57 8.180 8.841 -0.661 2
1 250 . 1 1 A 57 57 ALA C C 57 174.350 174.784 -0.434 2
1 251 . 1 1 A 57 57 ALA CA C 57 49.350 49.576 -0.226 2
1 252 . 1 1 A 57 57 ALA CB C 57 23.990 22.456 1.534 2
1 253 . 1 1 A 57 57 ALA N N 57 129.090 129.463 -0.373 2
1 254 . 1 1 A 58 58 LEU H H 58 7.090 8.523 -1.433 2
1 255 . 1 1 A 58 58 LEU C C 58 172.630 173.667 -1.037 2
1 256 . 1 1 A 58 58 LEU CA C 58 53.860 53.898 -0.038 2
1 257 . 1 1 A 58 58 LEU CB C 58 45.150 45.787 -0.637 2
1 258 . 1 1 A 58 58 LEU N N 58 121.000 120.380 0.620 2
1 259 . 1 1 A 59 59 LYS H H 59 7.830 8.825 -0.995 2
1 260 . 1 1 A 59 59 LYS C C 59 174.460 175.914 -1.454 2
1 261 . 1 1 A 59 59 LYS CA C 59 54.460 54.217 0.243 2
1 262 . 1 1 A 59 59 LYS CB C 59 34.700 35.027 -0.327 2
1 263 . 1 1 A 59 59 LYS N N 59 124.940 128.427 -3.487 2
1 264 . 1 1 A 60 60 SER H H 60 8.220 8.747 -0.527 2
1 265 . 1 1 A 60 60 SER C C 60 174.890 175.595 -0.705 2
1 266 . 1 1 A 60 60 SER CA C 60 57.700 58.188 -0.488 2
1 267 . 1 1 A 60 60 SER CB C 60 63.420 63.130 0.290 2
1 268 . 1 1 A 60 60 SER N N 60 117.520 120.018 -2.498 2
1 269 . 1 1 A 61 61 THR H H 61 7.620 8.548 -0.928 2
1 270 . 1 1 A 61 61 THR C C 61 174.770 174.803 -0.033 2
1 271 . 1 1 A 61 61 THR CA C 61 61.980 61.963 0.017 2
1 272 . 1 1 A 61 61 THR CB C 61 68.450 69.584 -1.134 2
1 273 . 1 1 A 61 61 THR N N 61 114.510 117.050 -2.540 2
1 274 . 1 1 A 62 62 ALA H H 62 8.400 7.771 0.629 2
1 275 . 1 1 A 62 62 ALA C C 62 176.640 177.178 -0.538 2
1 276 . 1 1 A 62 62 ALA CA C 62 47.960 52.841 -4.881 2
1 277 . 1 1 A 62 62 ALA CB C 62 21.030 20.622 0.408 2
1 278 . 1 1 A 62 62 ALA N N 62 125.960 123.661 2.299 2
1 279 . 1 1 A 63 63 SER H H 63 7.810 7.946 -0.136 2
1 280 . 1 1 A 63 63 SER C C 63 172.450 173.312 -0.862 2
1 281 . 1 1 A 63 63 SER CA C 63 56.820 57.272 -0.452 2
1 282 . 1 1 A 63 63 SER CB C 63 66.210 64.905 1.305 2
1 283 . 1 1 A 63 63 SER N N 63 116.020 108.830 7.190 2
1 284 . 1 1 A 64 64 ASP H H 64 8.000 8.557 -0.557 2
1 285 . 1 1 A 64 64 ASP C C 64 175.890 175.939 -0.049 2
1 286 . 1 1 A 64 64 ASP CA C 64 54.440 54.192 0.248 2
1 287 . 1 1 A 64 64 ASP CB C 64 41.220 41.414 -0.194 2
1 288 . 1 1 A 64 64 ASP N N 64 114.890 117.262 -2.372 2
1 289 . 1 1 A 65 65 ALA H H 65 7.640 7.387 0.253 2
1 290 . 1 1 A 65 65 ALA C C 65 175.260 177.514 -2.254 2
1 291 . 1 1 A 65 65 ALA CA C 65 52.650 52.995 -0.345 2
1 292 . 1 1 A 65 65 ALA CB C 65 19.730 19.193 0.537 2
1 293 . 1 1 A 65 65 ALA N N 65 124.130 123.317 0.813 2
1 294 . 1 1 A 66 66 ALA H H 66 9.260 8.714 0.546 2
1 295 . 1 1 A 66 66 ALA C C 66 174.230 176.112 -1.882 2
1 296 . 1 1 A 66 66 ALA CA C 66 52.000 51.553 0.447 2
1 297 . 1 1 A 66 66 ALA CB C 66 25.080 23.999 1.081 2
1 298 . 1 1 A 66 66 ALA N N 66 120.560 123.650 -3.090 2
1 299 . 1 1 A 67 67 PHE H H 67 8.230 8.898 -0.668 2
1 300 . 1 1 A 67 67 PHE C C 67 172.940 172.902 0.038 2
1 301 . 1 1 A 67 67 PHE CA C 67 55.140 55.553 -0.413 2
1 302 . 1 1 A 67 67 PHE CB C 67 44.110 42.765 1.345 2
1 303 . 1 1 A 67 67 PHE N N 67 112.870 114.802 -1.932 2
1 304 . 1 1 A 68 68 ILE H H 68 8.680 8.577 0.103 2
1 305 . 1 1 A 68 68 ILE C C 68 176.350 174.546 1.804 2
1 306 . 1 1 A 68 68 ILE CA C 68 60.600 60.276 0.324 2
1 307 . 1 1 A 68 68 ILE CB C 68 42.240 41.376 0.864 2
1 308 . 1 1 A 68 68 ILE N N 68 114.990 120.410 -5.420 2
1 309 . 1 1 A 69 69 ALA H H 69 10.430 9.033 1.397 2
1 310 . 1 1 A 69 69 ALA C C 69 175.200 177.046 -1.846 2
1 311 . 1 1 A 69 69 ALA CA C 69 50.260 50.654 -0.394 2
1 312 . 1 1 A 69 69 ALA CB C 69 20.760 20.705 0.055 2
1 313 . 1 1 A 69 69 ALA N N 69 135.590 130.949 4.641 2
1 314 . 1 1 A 70 70 GLY H H 70 9.490 8.788 0.702 2
1 315 . 1 1 A 70 70 GLY C C 70 173.830 173.841 -0.011 2
1 316 . 1 1 A 70 70 GLY CA C 70 43.600 44.427 -0.827 2
1 317 . 1 1 A 70 70 GLY N N 70 110.910 110.275 0.635 2
1 318 . 1 1 A 71 71 GLY H H 71 8.670 8.391 0.279 2
1 319 . 1 1 A 71 71 GLY C C 71 171.680 171.210 0.470 2
1 320 . 1 1 A 71 71 GLY CA C 71 46.580 45.927 0.653 2
1 321 . 1 1 A 71 71 GLY N N 71 111.200 109.112 2.088 2
1 322 . 1 1 A 72 72 ASP H H 72 9.590 8.827 0.763 2
1 323 . 1 1 A 72 72 ASP C C 72 173.740 174.706 -0.966 2
1 324 . 1 1 A 72 72 ASP CA C 72 54.430 53.214 1.216 2
1 325 . 1 1 A 72 72 ASP CB C 72 41.580 41.065 0.515 2
1 326 . 1 1 A 72 72 ASP N N 72 129.580 123.721 5.859 2
1 327 . 1 1 A 73 73 LEU H H 73 8.510 8.722 -0.212 2
1 328 . 1 1 A 73 73 LEU C C 73 176.150 175.407 0.743 2
1 329 . 1 1 A 73 73 LEU CA C 73 54.560 53.387 1.173 2
1 330 . 1 1 A 73 73 LEU CB C 73 47.070 44.548 2.522 2
1 331 . 1 1 A 73 73 LEU N N 73 123.340 125.973 -2.633 2
1 332 . 1 1 A 74 74 HIS H H 74 8.170 8.963 -0.793 2
1 333 . 1 1 A 74 74 HIS C C 74 173.710 173.369 0.341 2
1 334 . 1 1 A 74 74 HIS CA C 74 58.090 54.238 3.852 2
1 335 . 1 1 A 74 74 HIS CB C 74 31.560 32.994 -1.434 2
1 336 . 1 1 A 74 74 HIS N N 74 118.420 120.192 -1.772 2
1 337 . 1 1 A 75 75 TYR H H 75 8.420 8.830 -0.410 2
1 338 . 1 1 A 75 75 TYR C C 75 174.200 176.886 -2.686 2
1 339 . 1 1 A 75 75 TYR CA C 75 52.510 56.909 -4.399 2
1 340 . 1 1 A 75 75 TYR CB C 75 34.550 41.032 -6.482 2
1 341 . 1 1 A 75 75 TYR N N 75 125.070 123.353 1.717 2
1 342 . 1 1 A 76 76 THR C C 76 176.310 173.860 2.450 2
1 343 . 1 1 A 77 77 LEU C C 77 171.100 175.819 -4.719 2
1 344 . 1 1 A 77 77 LEU CA C 77 58.290 56.440 1.850 2
1 345 . 1 1 A 77 77 LEU CB C 77 41.480 40.781 0.699 2
1 346 . 1 1 A 78 78 PHE H H 78 6.510 8.468 -1.958 2
1 347 . 1 1 A 78 78 PHE C C 78 171.100 175.345 -4.245 2
1 348 . 1 1 A 78 78 PHE CA C 78 56.790 57.837 -1.047 2
1 349 . 1 1 A 78 78 PHE CB C 78 38.550 38.813 -0.263 2
1 350 . 1 1 A 78 78 PHE N N 78 120.660 124.861 -4.201 2
1 351 . 1 1 A 79 79 SER H H 79 7.050 7.508 -0.458 2
1 352 . 1 1 A 79 79 SER C C 79 170.580 174.131 -3.551 2
1 353 . 1 1 A 79 79 SER CA C 79 57.660 56.951 0.709 2
1 354 . 1 1 A 79 79 SER CB C 79 62.970 65.319 -2.349 2
1 355 . 1 1 A 79 79 SER N N 79 118.660 113.825 4.835 2
1 356 . 1 1 A 80 80 ASN H H 80 7.700 8.520 -0.820 2
1 357 . 1 1 A 80 80 ASN C C 80 173.700 174.323 -0.623 2
1 358 . 1 1 A 80 80 ASN CA C 80 51.440 50.678 0.762 2
1 359 . 1 1 A 80 80 ASN CB C 80 39.150 39.595 -0.445 2
1 360 . 1 1 A 80 80 ASN N N 80 118.030 122.325 -4.295 2
1 361 . 1 1 A 81 81 PRO C C 81 176.510 177.001 -0.491 2
1 362 . 1 1 A 81 81 PRO CA C 81 61.360 62.287 -0.927 2
1 363 . 1 1 A 81 81 PRO CB C 81 32.480 32.452 0.028 2
1 364 . 1 1 A 82 82 SER H H 82 8.190 8.357 -0.167 2
1 365 . 1 1 A 82 82 SER C C 82 174.800 174.171 0.629 2
1 366 . 1 1 A 82 82 SER CA C 82 58.230 58.010 0.220 2
1 367 . 1 1 A 82 82 SER CB C 82 63.370 63.819 -0.449 2
1 368 . 1 1 A 82 82 SER N N 82 124.760 115.697 9.063 2
1 369 . 1 1 A 83 83 HIS C C 83 176.300 174.127 2.173 2
1 370 . 1 1 A 83 83 HIS CA C 83 57.040 56.394 0.646 2
1 371 . 1 1 A 83 83 HIS CB C 83 29.400 27.037 2.363 2
1 372 . 1 1 A 84 84 THR H H 84 7.530 7.669 -0.139 2
1 373 . 1 1 A 84 84 THR C C 84 174.700 172.626 2.074 2
1 374 . 1 1 A 84 84 THR CA C 84 60.870 61.888 -1.018 2
1 375 . 1 1 A 84 84 THR CB C 84 68.210 70.925 -2.715 2
1 376 . 1 1 A 84 84 THR N N 84 114.440 113.086 1.354 2
1 377 . 1 1 A 85 85 LEU C C 85 174.310 175.927 -1.617 2
1 378 . 1 1 A 85 85 LEU CA C 85 54.230 53.912 0.318 2
1 379 . 1 1 A 85 85 LEU CB C 85 45.920 44.202 1.718 2
1 380 . 1 1 A 86 86 TRP H H 86 9.570 8.992 0.578 2
1 381 . 1 1 A 86 86 TRP C C 86 172.230 174.162 -1.932 2
1 382 . 1 1 A 86 86 TRP CA C 86 55.260 55.779 -0.519 2
1 383 . 1 1 A 86 86 TRP CB C 86 30.280 32.155 -1.875 2
1 384 . 1 1 A 86 86 TRP N N 86 125.840 123.083 2.757 2
1 385 . 1 1 A 87 87 GLY H H 87 8.570 8.390 0.180 2
1 386 . 1 1 A 87 87 GLY C C 87 172.220 172.535 -0.315 2
1 387 . 1 1 A 87 87 GLY CA C 87 43.160 44.019 -0.859 2
1 388 . 1 1 A 87 87 GLY N N 87 106.250 106.579 -0.329 2
1 389 . 1 1 A 88 88 LYS H H 88 8.480 8.289 0.191 2
1 390 . 1 1 A 88 88 LYS C C 88 175.170 174.479 0.691 2
1 391 . 1 1 A 88 88 LYS CA C 88 54.610 55.027 -0.417 2
1 392 . 1 1 A 88 88 LYS CB C 88 34.570 34.563 0.007 2
1 393 . 1 1 A 88 88 LYS N N 88 120.800 121.840 -1.040 2
1 394 . 1 1 A 89 89 LEU H H 89 8.790 8.808 -0.018 2
1 395 . 1 1 A 89 89 LEU C C 89 172.930 176.301 -3.371 2
1 396 . 1 1 A 89 89 LEU CA C 89 53.740 53.814 -0.074 2
1 397 . 1 1 A 89 89 LEU CB C 89 46.150 44.617 1.533 2
1 398 . 1 1 A 89 89 LEU N N 89 126.620 126.837 -0.217 2
1 399 . 1 1 A 90 90 ASP H H 90 9.520 9.064 0.456 2
1 400 . 1 1 A 90 90 ASP C C 90 176.800 176.008 0.792 2
1 401 . 1 1 A 90 90 ASP CA C 90 55.520 55.500 0.020 2
1 402 . 1 1 A 90 90 ASP CB C 90 44.890 42.856 2.034 2
1 403 . 1 1 A 90 90 ASP N N 90 125.060 129.183 -4.123 2
1 404 . 1 1 A 91 91 SER H H 91 8.660 7.963 0.697 2
1 405 . 1 1 A 91 91 SER C C 91 173.590 172.296 1.294 2
1 406 . 1 1 A 91 91 SER CA C 91 56.860 57.457 -0.597 2
1 407 . 1 1 A 91 91 SER CB C 91 66.670 66.000 0.670 2
1 408 . 1 1 A 91 91 SER N N 91 111.790 110.651 1.139 2
1 409 . 1 1 A 92 92 ILE H H 92 9.020 8.489 0.531 2
1 410 . 1 1 A 92 92 ILE C C 92 172.760 174.298 -1.538 2
1 411 . 1 1 A 92 92 ILE CA C 92 59.660 60.423 -0.763 2
1 412 . 1 1 A 92 92 ILE CB C 92 42.120 41.102 1.018 2
1 413 . 1 1 A 92 92 ILE N N 92 120.140 122.014 -1.874 2
1 414 . 1 1 A 93 93 ALA H H 93 8.960 8.928 0.032 2
1 415 . 1 1 A 93 93 ALA C C 93 174.790 175.840 -1.050 2
1 416 . 1 1 A 93 93 ALA CA C 93 50.780 50.131 0.649 2
1 417 . 1 1 A 93 93 ALA CB C 93 21.500 21.665 -0.165 2
1 418 . 1 1 A 93 93 ALA N N 93 131.110 129.614 1.496 2
1 419 . 1 1 A 94 94 LEU H H 94 8.760 8.737 0.023 2
1 420 . 1 1 A 94 94 LEU C C 94 176.830 176.710 0.120 2
1 421 . 1 1 A 94 94 LEU CA C 94 53.590 53.018 0.572 2
1 422 . 1 1 A 94 94 LEU CB C 94 43.250 44.791 -1.541 2
1 423 . 1 1 A 94 94 LEU N N 94 120.530 122.876 -2.346 2
1 424 . 1 1 A 95 95 GLY H H 95 8.140 8.159 -0.019 2
1 425 . 1 1 A 95 95 GLY C C 95 171.180 171.162 0.018 2
1 426 . 1 1 A 95 95 GLY CA C 95 46.990 46.275 0.715 2
1 427 . 1 1 A 95 95 GLY N N 95 109.110 109.628 -0.518 2
1 428 . 1 1 A 96 96 ASP H H 96 8.900 8.585 0.315 2
1 429 . 1 1 A 96 96 ASP C C 96 174.110 174.918 -0.808 2
1 430 . 1 1 A 96 96 ASP CA C 96 53.560 53.308 0.252 2
1 431 . 1 1 A 96 96 ASP CB C 96 45.150 43.462 1.688 2
1 432 . 1 1 A 96 96 ASP N N 96 123.160 121.235 1.925 2
1 433 . 1 1 A 97 97 THR H H 97 8.290 8.295 -0.005 2
1 434 . 1 1 A 97 97 THR C C 97 172.560 173.935 -1.375 2
1 435 . 1 1 A 97 97 THR CA C 97 64.440 62.455 1.985 2
1 436 . 1 1 A 97 97 THR CB C 97 65.300 68.210 -2.910 2
1 437 . 1 1 A 97 97 THR N N 97 111.060 116.002 -4.942 2
1 438 . 1 1 A 98 98 LEU H H 98 8.460 8.810 -0.350 2
1 439 . 1 1 A 98 98 LEU C C 98 176.540 176.229 0.311 2
1 440 . 1 1 A 98 98 LEU CA C 98 55.110 54.307 0.803 2
1 441 . 1 1 A 98 98 LEU CB C 98 42.990 43.132 -0.142 2
1 442 . 1 1 A 98 98 LEU N N 98 128.370 127.737 0.633 2
1 443 . 1 1 A 99 99 THR H H 99 9.340 8.575 0.765 2
1 444 . 1 1 A 99 99 THR C C 99 173.700 173.499 0.201 2
1 445 . 1 1 A 99 99 THR CA C 99 59.990 59.736 0.254 2
1 446 . 1 1 A 99 99 THR CB C 99 71.860 71.397 0.463 2
1 447 . 1 1 A 99 99 THR N N 99 120.840 118.193 2.647 2
1 448 . 1 1 A 100 100 GLY H H 100 8.350 8.584 -0.234 2
1 449 . 1 1 A 100 100 GLY C C 100 173.390 173.066 0.324 2
1 450 . 1 1 A 100 100 GLY CA C 100 44.920 44.462 0.458 2
1 451 . 1 1 A 100 100 GLY N N 100 106.250 113.364 -7.114 2
1 452 . 1 1 A 101 101 GLY H H 101 6.740 8.150 -1.410 2
1 453 . 1 1 A 101 101 GLY C C 101 173.820 172.600 1.220 2
1 454 . 1 1 A 101 101 GLY CA C 101 43.480 45.698 -2.218 2
1 455 . 1 1 A 101 101 GLY N N 101 106.290 107.206 -0.916 2
1 456 . 1 1 A 102 102 ALA H H 102 8.700 8.595 0.105 2
1 457 . 1 1 A 102 102 ALA C C 102 175.370 177.359 -1.989 2
1 458 . 1 1 A 102 102 ALA CA C 102 55.220 51.156 4.064 2
1 459 . 1 1 A 102 102 ALA CB C 102 19.720 19.924 -0.204 2
1 460 . 1 1 A 102 102 ALA N N 102 123.560 126.800 -3.240 2
1 461 . 1 1 A 103 103 SER C C 103 175.020 175.894 -0.874 2
1 462 . 1 1 A 103 103 SER CA C 103 58.510 58.029 0.481 2
1 463 . 1 1 A 103 103 SER CB C 103 63.110 63.640 -0.530 2
1 464 . 1 1 A 104 104 SER H H 104 7.410 8.354 -0.944 2
1 465 . 1 1 A 104 104 SER C C 104 174.510 174.908 -0.398 2
1 466 . 1 1 A 104 104 SER CA C 104 57.640 60.565 -2.925 2
1 467 . 1 1 A 104 104 SER CB C 104 63.800 63.619 0.181 2
1 468 . 1 1 A 104 104 SER N N 104 114.780 116.576 -1.796 2
1 469 . 1 1 A 105 105 GLY H H 105 7.940 7.425 0.515 2
1 470 . 1 1 A 105 105 GLY C C 105 174.220 172.506 1.714 2
1 471 . 1 1 A 105 105 GLY CA C 105 45.390 45.466 -0.076 2
1 472 . 1 1 A 105 105 GLY N N 105 109.010 106.895 2.115 2
1 473 . 1 1 A 106 106 GLY H H 106 7.670 8.531 -0.861 2
1 474 . 1 1 A 106 106 GLY C C 106 174.420 173.060 1.360 2
1 475 . 1 1 A 106 106 GLY CA C 106 44.200 43.795 0.405 2
1 476 . 1 1 A 106 106 GLY N N 106 107.400 111.624 -4.224 2
1 477 . 1 1 A 107 107 TYR H H 107 9.310 8.509 0.801 2
1 478 . 1 1 A 107 107 TYR C C 107 175.820 175.691 0.129 2
1 479 . 1 1 A 107 107 TYR CA C 107 58.530 58.149 0.381 2
1 480 . 1 1 A 107 107 TYR CB C 107 40.990 40.603 0.387 2
1 481 . 1 1 A 107 107 TYR N N 107 121.460 119.402 2.058 2
1 482 . 1 1 A 108 108 ALA H H 108 8.790 8.888 -0.098 2
1 483 . 1 1 A 108 108 ALA C C 108 174.680 175.453 -0.773 2
1 484 . 1 1 A 108 108 ALA CA C 108 51.550 51.304 0.246 2
1 485 . 1 1 A 108 108 ALA CB C 108 22.300 24.109 -1.809 2
1 486 . 1 1 A 108 108 ALA N N 108 123.960 122.380 1.580 2
1 487 . 1 1 A 109 109 LEU H H 109 8.300 8.708 -0.408 2
1 488 . 1 1 A 109 109 LEU C C 109 177.060 176.793 0.267 2
1 489 . 1 1 A 109 109 LEU CA C 109 52.680 53.277 -0.597 2
1 490 . 1 1 A 109 109 LEU CB C 109 43.170 43.872 -0.702 2
1 491 . 1 1 A 109 109 LEU N N 109 119.720 118.792 0.928 2
1 492 . 1 1 A 110 110 ASP H H 110 9.310 8.526 0.784 2
1 493 . 1 1 A 110 110 ASP C C 110 177.570 176.423 1.147 2
1 494 . 1 1 A 110 110 ASP CA C 110 56.510 56.881 -0.371 2
1 495 . 1 1 A 110 110 ASP CB C 110 41.590 42.132 -0.542 2
1 496 . 1 1 A 110 110 ASP N N 110 124.720 122.937 1.783 2
1 497 . 1 1 A 111 111 SER H H 111 7.740 7.891 -0.151 2
1 498 . 1 1 A 111 111 SER C C 111 173.250 172.551 0.699 2
1 499 . 1 1 A 111 111 SER CA C 111 55.670 56.733 -1.063 2
1 500 . 1 1 A 111 111 SER CB C 111 63.130 64.461 -1.331 2
1 501 . 1 1 A 111 111 SER N N 111 112.060 112.228 -0.168 2
1 502 . 1 1 A 112 112 GLN H H 112 8.750 8.771 -0.021 2
1 503 . 1 1 A 112 112 GLN C C 112 175.190 175.127 0.063 2
1 504 . 1 1 A 112 112 GLN CA C 112 56.470 54.537 1.933 2
1 505 . 1 1 A 112 112 GLN CB C 112 30.020 29.409 0.611 2
1 506 . 1 1 A 112 112 GLN N N 112 126.650 128.443 -1.793 2
1 507 . 1 1 A 113 113 GLU H H 113 8.850 8.963 -0.113 2
1 508 . 1 1 A 113 113 GLU C C 113 175.340 176.498 -1.158 2
1 509 . 1 1 A 113 113 GLU CA C 113 58.440 58.358 0.082 2
1 510 . 1 1 A 113 113 GLU CB C 113 30.450 31.045 -0.595 2
1 511 . 1 1 A 113 113 GLU N N 113 128.550 126.128 2.422 2
1 512 . 1 1 A 114 114 VAL H H 114 7.350 7.785 -0.435 2
1 513 . 1 1 A 114 114 VAL C C 114 173.700 174.280 -0.580 2
1 514 . 1 1 A 114 114 VAL CA C 114 60.190 60.002 0.188 2
1 515 . 1 1 A 114 114 VAL CB C 114 37.690 35.999 1.691 2
1 516 . 1 1 A 114 114 VAL N N 114 117.030 118.926 -1.896 2
1 517 . 1 1 A 115 115 SER H H 115 8.610 8.778 -0.168 2
1 518 . 1 1 A 115 115 SER C C 115 172.440 172.929 -0.489 2
1 519 . 1 1 A 115 115 SER CA C 115 56.120 56.479 -0.359 2
1 520 . 1 1 A 115 115 SER CB C 115 66.110 66.138 -0.028 2
1 521 . 1 1 A 115 115 SER N N 115 117.480 119.622 -2.142 2
1 522 . 1 1 A 116 116 PHE H H 116 9.180 8.752 0.428 2
1 523 . 1 1 A 116 116 PHE C C 116 174.220 174.895 -0.675 2
1 524 . 1 1 A 116 116 PHE CA C 116 55.990 56.545 -0.555 2
1 525 . 1 1 A 116 116 PHE CB C 116 41.970 41.512 0.458 2
1 526 . 1 1 A 116 116 PHE N N 116 122.650 120.505 2.145 2
1 527 . 1 1 A 117 117 SER H H 117 9.450 8.830 0.620 2
1 528 . 1 1 A 117 117 SER C C 117 172.930 174.476 -1.546 2
1 529 . 1 1 A 117 117 SER CA C 117 57.530 57.064 0.466 2
1 530 . 1 1 A 117 117 SER CB C 117 65.570 66.689 -1.119 2
1 531 . 1 1 A 117 117 SER N N 117 117.840 118.475 -0.635 2
1 532 . 1 1 A 118 118 ASN H H 118 8.280 9.164 -0.884 2
1 533 . 1 1 A 118 118 ASN C C 118 175.770 175.358 0.412 2
1 534 . 1 1 A 118 118 ASN CA C 118 53.680 53.622 0.058 2
1 535 . 1 1 A 118 118 ASN CB C 118 37.150 37.291 -0.141 2
1 536 . 1 1 A 118 118 ASN N N 118 118.060 121.863 -3.803 2
1 537 . 1 1 A 119 119 LEU H H 119 8.980 8.263 0.717 2
1 538 . 1 1 A 119 119 LEU C C 119 178.860 177.400 1.460 2
1 539 . 1 1 A 119 119 LEU CA C 119 57.100 56.073 1.027 2
1 540 . 1 1 A 119 119 LEU CB C 119 41.940 42.615 -0.675 2
1 541 . 1 1 A 119 119 LEU N N 119 115.370 118.478 -3.108 2
1 542 . 1 1 A 120 120 GLY H H 120 8.740 8.040 0.700 2
1 543 . 1 1 A 120 120 GLY C C 120 174.990 174.826 0.164 2
1 544 . 1 1 A 120 120 GLY CA C 120 47.130 46.200 0.930 2
1 545 . 1 1 A 120 120 GLY N N 120 102.570 107.617 -5.047 2
1 546 . 1 1 A 121 121 LEU H H 121 7.390 8.054 -0.664 2
1 547 . 1 1 A 121 121 LEU C C 121 176.370 176.005 0.365 2
1 548 . 1 1 A 121 121 LEU CA C 121 54.520 54.201 0.319 2
1 549 . 1 1 A 121 121 LEU CB C 121 42.740 42.209 0.531 2
1 550 . 1 1 A 121 121 LEU N N 121 118.530 122.244 -3.714 2
1 551 . 1 1 A 122 122 ASP H H 122 8.540 8.618 -0.078 2
1 552 . 1 1 A 122 122 ASP C C 122 175.910 174.475 1.435 2
1 553 . 1 1 A 122 122 ASP CA C 122 53.750 54.089 -0.339 2
1 554 . 1 1 A 122 122 ASP CB C 122 43.530 43.714 -0.184 2
1 555 . 1 1 A 122 122 ASP N N 122 124.900 123.353 1.547 2
1 556 . 1 1 A 123 123 SER H H 123 9.340 8.823 0.517 2
1 557 . 1 1 A 123 123 SER C C 123 172.400 172.750 -0.350 2
1 558 . 1 1 A 123 123 SER CA C 123 55.910 55.462 0.448 2
1 559 . 1 1 A 123 123 SER CB C 123 66.700 64.676 2.024 2
1 560 . 1 1 A 123 123 SER N N 123 122.750 123.046 -0.296 2
1 561 . 1 1 A 124 124 PRO C C 124 177.600 177.226 0.374 2
1 562 . 1 1 A 124 124 PRO CA C 124 61.650 62.770 -1.120 2
1 563 . 1 1 A 124 124 PRO CB C 124 32.650 32.614 0.036 2
1 564 . 1 1 A 125 125 ILE H H 125 7.660 8.885 -1.225 2
1 565 . 1 1 A 125 125 ILE C C 125 176.510 177.328 -0.818 2
1 566 . 1 1 A 125 125 ILE CA C 125 64.590 63.064 1.526 2
1 567 . 1 1 A 125 125 ILE CB C 125 36.210 36.789 -0.579 2
1 568 . 1 1 A 125 125 ILE N N 125 125.060 122.657 2.403 2
1 569 . 1 1 A 126 126 ALA H H 126 7.110 8.053 -0.943 2
1 570 . 1 1 A 126 126 ALA C C 126 179.090 178.799 0.291 2
1 571 . 1 1 A 126 126 ALA CA C 126 53.800 54.322 -0.522 2
1 572 . 1 1 A 126 126 ALA CB C 126 19.010 18.358 0.652 2
1 573 . 1 1 A 126 126 ALA N N 126 118.950 122.783 -3.833 2
1 574 . 1 1 A 127 127 GLN H H 127 6.830 7.722 -0.892 2
1 575 . 1 1 A 127 127 GLN C C 127 177.540 176.765 0.775 2
1 576 . 1 1 A 127 127 GLN CA C 127 56.520 56.105 0.415 2
1 577 . 1 1 A 127 127 GLN CB C 127 29.370 29.214 0.156 2
1 578 . 1 1 A 127 127 GLN N N 127 113.450 114.726 -1.276 2
1 579 . 1 1 A 128 128 GLY H H 128 8.040 8.198 -0.158 2
1 580 . 1 1 A 128 128 GLY C C 128 175.140 175.410 -0.270 2
1 581 . 1 1 A 128 128 GLY CA C 128 46.130 46.207 -0.077 2
1 582 . 1 1 A 128 128 GLY N N 128 107.460 108.927 -1.467 2
1 583 . 1 1 A 129 129 ARG H H 129 8.660 8.813 -0.153 2
1 584 . 1 1 A 129 129 ARG C C 129 174.880 176.786 -1.906 2
1 585 . 1 1 A 129 129 ARG CA C 129 56.900 57.729 -0.829 2
1 586 . 1 1 A 129 129 ARG CB C 129 29.380 29.310 0.070 2
1 587 . 1 1 A 129 129 ARG N N 129 123.010 125.275 -2.265 2
1 588 . 1 1 A 130 130 ASP H H 130 7.570 8.022 -0.452 2
1 589 . 1 1 A 130 130 ASP C C 130 177.030 177.032 -0.002 2
1 590 . 1 1 A 130 130 ASP CA C 130 54.400 54.858 -0.458 2
1 591 . 1 1 A 130 130 ASP CB C 130 41.800 41.146 0.654 2
1 592 . 1 1 A 130 130 ASP N N 130 114.790 117.908 -3.118 2
1 593 . 1 1 A 131 131 GLY H H 131 7.760 8.043 -0.283 2
1 594 . 1 1 A 131 131 GLY C C 131 173.160 174.796 -1.636 2
1 595 . 1 1 A 131 131 GLY CA C 131 45.540 45.443 0.097 2
1 596 . 1 1 A 131 131 GLY N N 131 107.870 108.232 -0.362 2
1 597 . 1 1 A 132 132 THR H H 132 8.620 8.732 -0.112 2
1 598 . 1 1 A 132 132 THR C C 132 175.220 176.132 -0.912 2
1 599 . 1 1 A 132 132 THR CA C 132 67.100 66.407 0.693 2
1 600 . 1 1 A 132 132 THR CB C 132 69.400 68.666 0.734 2
1 601 . 1 1 A 132 132 THR N N 132 120.000 116.510 3.490 2
1 602 . 1 1 A 133 133 VAL H H 133 8.750 7.929 0.821 2
1 603 . 1 1 A 133 133 VAL C C 133 176.570 178.234 -1.664 2
1 604 . 1 1 A 133 133 VAL CA C 133 69.130 66.806 2.324 2
1 605 . 1 1 A 133 133 VAL CB C 133 31.380 31.631 -0.251 2
1 606 . 1 1 A 133 133 VAL N N 133 122.360 121.961 0.399 2
1 607 . 1 1 A 134 134 HIS H H 134 8.490 8.231 0.259 2
1 608 . 1 1 A 134 134 HIS C C 134 178.370 177.067 1.303 2
1 609 . 1 1 A 134 134 HIS CA C 134 62.410 59.924 2.486 2
1 610 . 1 1 A 134 134 HIS CB C 134 32.170 29.859 2.311 2
1 611 . 1 1 A 134 134 HIS N N 134 119.960 119.304 0.656 2
1 612 . 1 1 A 135 135 LYS H H 135 8.580 8.172 0.408 2
1 613 . 1 1 A 135 135 LYS C C 135 181.550 179.518 2.032 2
1 614 . 1 1 A 135 135 LYS CA C 135 60.940 59.660 1.280 2
1 615 . 1 1 A 135 135 LYS CB C 135 32.950 32.614 0.336 2
1 616 . 1 1 A 135 135 LYS N N 135 116.210 118.245 -2.035 2
1 617 . 1 1 A 136 136 VAL H H 136 9.020 7.774 1.246 2
1 618 . 1 1 A 136 136 VAL C C 136 178.260 178.488 -0.228 2
1 619 . 1 1 A 136 136 VAL CA C 136 66.520 66.423 0.097 2
1 620 . 1 1 A 136 136 VAL CB C 136 31.610 31.653 -0.043 2
1 621 . 1 1 A 136 136 VAL N N 136 118.550 120.079 -1.529 2
1 622 . 1 1 A 137 137 VAL H H 137 8.170 7.919 0.251 2
1 623 . 1 1 A 137 137 VAL C C 137 176.940 177.555 -0.615 2
1 624 . 1 1 A 137 137 VAL CA C 137 67.520 65.975 1.545 2
1 625 . 1 1 A 137 137 VAL CB C 137 31.970 31.795 0.175 2
1 626 . 1 1 A 137 137 VAL N N 137 119.090 120.633 -1.543 2
1 627 . 1 1 A 138 138 TYR H H 138 10.070 8.229 1.841 2
1 628 . 1 1 A 138 138 TYR C C 138 179.780 178.267 1.513 2
1 629 . 1 1 A 138 138 TYR CA C 138 62.330 60.943 1.387 2
1 630 . 1 1 A 138 138 TYR CB C 138 39.970 38.300 1.670 2
1 631 . 1 1 A 138 138 TYR N N 138 122.740 120.159 2.581 2
1 632 . 1 1 A 139 139 GLY H H 139 8.050 8.414 -0.364 2
1 633 . 1 1 A 139 139 GLY C C 139 176.380 175.452 0.928 2
1 634 . 1 1 A 139 139 GLY CA C 139 48.120 46.979 1.141 2
1 635 . 1 1 A 139 139 GLY N N 139 105.770 105.938 -0.168 2
1 636 . 1 1 A 140 140 LEU H H 140 7.180 8.100 -0.920 2
1 637 . 1 1 A 140 140 LEU C C 140 179.240 178.985 0.255 2
1 638 . 1 1 A 140 140 LEU CA C 140 58.250 57.026 1.224 2
1 639 . 1 1 A 140 140 LEU CB C 140 41.300 41.259 0.041 2
1 640 . 1 1 A 140 140 LEU N N 140 122.690 122.589 0.101 2
1 641 . 1 1 A 141 141 MET H H 141 7.850 8.084 -0.234 2
1 642 . 1 1 A 141 141 MET C C 141 175.030 177.179 -2.149 2
1 643 . 1 1 A 141 141 MET CA C 141 59.710 57.886 1.824 2
1 644 . 1 1 A 141 141 MET CB C 141 33.430 32.575 0.855 2
1 645 . 1 1 A 141 141 MET N N 141 114.720 117.077 -2.357 2
1 646 . 1 1 A 142 142 SER H H 142 7.150 7.731 -0.581 2
1 647 . 1 1 A 142 142 SER C C 142 174.320 174.054 0.266 2
1 648 . 1 1 A 142 142 SER CA C 142 56.210 58.318 -2.108 2
1 649 . 1 1 A 142 142 SER CB C 142 63.630 63.297 0.333 2
1 650 . 1 1 A 142 142 SER N N 142 109.450 111.676 -2.226 2
1 651 . 1 1 A 143 143 GLY H H 143 7.710 8.292 -0.582 2
1 652 . 1 1 A 143 143 GLY C C 143 173.770 173.578 0.192 2
1 653 . 1 1 A 143 143 GLY CA C 143 46.880 46.116 0.764 2
1 654 . 1 1 A 143 143 GLY N N 143 110.990 110.570 0.420 2
1 655 . 1 1 A 144 144 ASP H H 144 8.510 7.951 0.559 2
1 656 . 1 1 A 144 144 ASP C C 144 175.520 176.105 -0.585 2
1 657 . 1 1 A 144 144 ASP CA C 144 52.460 53.185 -0.725 2
1 658 . 1 1 A 144 144 ASP CB C 144 42.190 41.538 0.652 2
1 659 . 1 1 A 144 144 ASP N N 144 119.080 120.227 -1.147 2
1 660 . 1 1 A 145 145 SER H H 145 9.010 8.955 0.055 2
1 661 . 1 1 A 145 145 SER C C 145 175.190 175.975 -0.785 2
1 662 . 1 1 A 145 145 SER CA C 145 59.230 59.388 -0.158 2
1 663 . 1 1 A 145 145 SER CB C 145 64.280 63.139 1.141 2
1 664 . 1 1 A 145 145 SER N N 145 119.690 120.485 -0.795 2
1 665 . 1 1 A 146 146 SER H H 146 8.770 7.952 0.818 2
1 666 . 1 1 A 146 146 SER C C 146 177.210 176.487 0.723 2
1 667 . 1 1 A 146 146 SER CA C 146 62.280 61.903 0.377 2
1 668 . 1 1 A 146 146 SER CB C 146 63.420 62.805 0.615 2
1 669 . 1 1 A 146 146 SER N N 146 121.270 119.297 1.973 2
1 670 . 1 1 A 147 147 ALA H H 147 9.020 7.834 1.186 2
1 671 . 1 1 A 147 147 ALA C C 147 181.050 179.877 1.173 2
1 672 . 1 1 A 147 147 ALA CA C 147 55.500 54.888 0.612 2
1 673 . 1 1 A 147 147 ALA CB C 147 17.440 18.233 -0.793 2
1 674 . 1 1 A 147 147 ALA N N 147 127.040 123.327 3.713 2
1 675 . 1 1 A 148 148 LEU H H 148 8.240 8.075 0.165 2
1 676 . 1 1 A 148 148 LEU C C 148 177.920 178.892 -0.972 2
1 677 . 1 1 A 148 148 LEU CA C 148 58.270 57.128 1.142 2
1 678 . 1 1 A 148 148 LEU CB C 148 40.980 41.765 -0.785 2
1 679 . 1 1 A 148 148 LEU N N 148 120.310 120.187 0.123 2
1 680 . 1 1 A 149 149 GLN H H 149 8.990 8.377 0.613 2
1 681 . 1 1 A 149 149 GLN C C 149 177.830 179.505 -1.675 2
1 682 . 1 1 A 149 149 GLN CA C 149 60.880 58.849 2.031 2
1 683 . 1 1 A 149 149 GLN CB C 149 29.070 28.236 0.834 2
1 684 . 1 1 A 149 149 GLN N N 149 117.520 117.416 0.104 2
1 685 . 1 1 A 150 150 GLY H H 150 8.160 8.199 -0.039 2
1 686 . 1 1 A 150 150 GLY C C 150 177.110 176.154 0.956 2
1 687 . 1 1 A 150 150 GLY CA C 150 47.160 47.285 -0.125 2
1 688 . 1 1 A 150 150 GLY N N 150 104.110 109.014 -4.904 2
1 689 . 1 1 A 151 151 GLN H H 151 7.590 7.915 -0.325 2
1 690 . 1 1 A 151 151 GLN C C 151 178.150 178.999 -0.849 2
1 691 . 1 1 A 151 151 GLN CA C 151 57.340 58.529 -1.189 2
1 692 . 1 1 A 151 151 GLN CB C 151 27.560 28.363 -0.803 2
1 693 . 1 1 A 151 151 GLN N N 151 119.370 122.479 -3.109 2
1 694 . 1 1 A 152 152 ILE H H 152 8.420 8.126 0.294 2
1 695 . 1 1 A 152 152 ILE C C 152 177.290 177.482 -0.192 2
1 696 . 1 1 A 152 152 ILE CA C 152 64.470 65.310 -0.840 2
1 697 . 1 1 A 152 152 ILE CB C 152 36.730 37.152 -0.422 2
1 698 . 1 1 A 152 152 ILE N N 152 118.770 121.090 -2.320 2
1 699 . 1 1 A 153 153 ASP H H 153 8.470 8.278 0.192 2
1 700 . 1 1 A 153 153 ASP C C 153 177.240 178.152 -0.912 2
1 701 . 1 1 A 153 153 ASP CA C 153 59.820 57.878 1.942 2
1 702 . 1 1 A 153 153 ASP CB C 153 42.860 41.807 1.053 2
1 703 . 1 1 A 153 153 ASP N N 153 118.750 121.036 -2.286 2
1 704 . 1 1 A 154 154 ALA H H 154 7.220 7.775 -0.555 2
1 705 . 1 1 A 154 154 ALA C C 154 172.580 180.037 -7.457 2
1 706 . 1 1 A 154 154 ALA CA C 154 55.110 55.020 0.090 2
1 707 . 1 1 A 154 154 ALA CB C 154 18.210 18.027 0.183 2
1 708 . 1 1 A 154 154 ALA N N 154 117.280 121.992 -4.712 2
1 709 . 1 1 A 155 155 LEU H H 155 7.950 8.050 -0.100 2
1 710 . 1 1 A 155 155 LEU C C 155 180.270 179.753 0.517 2
1 711 . 1 1 A 155 155 LEU CA C 155 57.770 57.576 0.194 2
1 712 . 1 1 A 155 155 LEU CB C 155 42.960 41.390 1.570 2
1 713 . 1 1 A 155 155 LEU N N 155 119.510 118.535 0.975 2
1 714 . 1 1 A 156 156 LEU H H 156 8.570 8.137 0.433 2
1 715 . 1 1 A 156 156 LEU C C 156 178.550 179.524 -0.974 2
1 716 . 1 1 A 156 156 LEU CA C 156 58.060 57.987 0.073 2
1 717 . 1 1 A 156 156 LEU CB C 156 41.380 40.680 0.700 2
1 718 . 1 1 A 156 156 LEU N N 156 120.640 119.400 1.240 2
1 719 . 1 1 A 157 157 LYS H H 157 7.980 8.130 -0.150 2
1 720 . 1 1 A 157 157 LYS C C 157 178.430 179.517 -1.087 2
1 721 . 1 1 A 157 157 LYS CA C 157 58.510 58.868 -0.358 2
1 722 . 1 1 A 157 157 LYS CB C 157 32.780 32.073 0.707 2
1 723 . 1 1 A 157 157 LYS N N 157 118.590 117.923 0.667 2
1 724 . 1 1 A 158 158 ALA H H 158 7.280 8.191 -0.911 2
1 725 . 1 1 A 158 158 ALA C C 158 179.510 180.048 -0.538 2
1 726 . 1 1 A 158 158 ALA CA C 158 53.560 54.617 -1.057 2
1 727 . 1 1 A 158 158 ALA CB C 158 18.240 18.082 0.158 2
1 728 . 1 1 A 158 158 ALA N N 158 118.400 121.877 -3.477 2
1 729 . 1 1 A 159 159 VAL H H 159 7.500 7.440 0.060 2
1 730 . 1 1 A 159 159 VAL C C 159 176.690 175.967 0.723 2
1 731 . 1 1 A 159 159 VAL CA C 159 65.440 64.294 1.146 2
1 732 . 1 1 A 159 159 VAL CB C 159 31.750 32.439 -0.689 2
1 733 . 1 1 A 159 159 VAL N N 159 120.020 115.713 4.307 2
1 734 . 1 1 A 160 160 ASP H H 160 7.800 7.822 -0.022 2
1 735 . 1 1 A 160 160 ASP C C 160 173.900 175.132 -1.232 2
1 736 . 1 1 A 160 160 ASP CA C 160 52.200 50.801 1.399 2
1 737 . 1 1 A 160 160 ASP CB C 160 43.950 43.170 0.780 2
1 738 . 1 1 A 160 160 ASP N N 160 118.820 117.047 1.773 2
1 739 . 1 1 A 161 161 PRO C C 161 176.850 176.949 -0.099 2
1 740 . 1 1 A 161 161 PRO CA C 161 64.480 64.455 0.025 2
1 741 . 1 1 A 161 161 PRO CB C 161 32.120 32.112 0.008 2
1 742 . 1 1 A 162 162 SER H H 162 8.920 7.815 1.105 2
1 743 . 1 1 A 162 162 SER C C 162 174.570 174.606 -0.036 2
1 744 . 1 1 A 162 162 SER CA C 162 59.780 58.455 1.325 2
1 745 . 1 1 A 162 162 SER CB C 162 63.990 63.617 0.373 2
1 746 . 1 1 A 162 162 SER N N 162 115.000 109.250 5.750 2
1 747 . 1 1 A 163 163 LEU H H 163 8.150 7.603 0.547 2
1 748 . 1 1 A 163 163 LEU C C 163 174.870 175.679 -0.809 2
1 749 . 1 1 A 163 163 LEU CA C 163 53.830 53.977 -0.147 2
1 750 . 1 1 A 163 163 LEU CB C 163 43.510 43.676 -0.166 2
1 751 . 1 1 A 163 163 LEU N N 163 124.260 124.096 0.164 2
1 752 . 1 1 A 164 164 SER H H 164 8.240 8.725 -0.485 2
1 753 . 1 1 A 164 164 SER C C 164 175.130 175.053 0.077 2
1 754 . 1 1 A 164 164 SER CA C 164 58.080 57.196 0.884 2
1 755 . 1 1 A 164 164 SER CB C 164 67.580 65.811 1.769 2
1 756 . 1 1 A 164 164 SER N N 164 109.830 116.842 -7.012 2
1 757 . 1 1 A 165 165 ILE H H 165 9.090 8.595 0.495 2
1 758 . 1 1 A 165 165 ILE C C 165 174.170 176.453 -2.283 2
1 759 . 1 1 A 165 165 ILE CA C 165 62.070 63.146 -1.076 2
1 760 . 1 1 A 165 165 ILE CB C 165 39.080 37.881 1.199 2
1 761 . 1 1 A 165 165 ILE N N 165 114.830 115.977 -1.147 2
1 762 . 1 1 A 166 166 ASN H H 166 8.410 7.972 0.438 2
1 763 . 1 1 A 166 166 ASN C C 166 174.810 175.364 -0.554 2
1 764 . 1 1 A 166 166 ASN CA C 166 53.480 53.608 -0.128 2
1 765 . 1 1 A 166 166 ASN CB C 166 39.110 39.001 0.109 2
1 766 . 1 1 A 166 166 ASN N N 166 116.650 118.848 -2.198 2
1 767 . 1 1 A 167 167 SER H H 167 7.920 7.649 0.271 2
1 768 . 1 1 A 167 167 SER C C 167 173.250 174.179 -0.929 2
1 769 . 1 1 A 167 167 SER CA C 167 60.060 58.661 1.399 2
1 770 . 1 1 A 167 167 SER CB C 167 64.350 64.103 0.247 2
1 771 . 1 1 A 167 167 SER N N 167 119.420 116.822 2.598 2
1 772 . 1 1 A 168 168 THR H H 168 8.400 8.672 -0.272 2
1 773 . 1 1 A 168 168 THR C C 168 176.960 176.407 0.553 2
1 774 . 1 1 A 168 168 THR CA C 168 59.860 61.145 -1.285 2
1 775 . 1 1 A 168 168 THR CB C 168 71.410 70.740 0.670 2
1 776 . 1 1 A 168 168 THR N N 168 111.250 114.319 -3.069 2
1 777 . 1 1 A 169 169 PHE H H 169 8.010 8.675 -0.665 2
1 778 . 1 1 A 169 169 PHE C C 169 177.770 177.511 0.259 2
1 779 . 1 1 A 169 169 PHE CA C 169 64.110 60.302 3.808 2
1 780 . 1 1 A 169 169 PHE CB C 169 35.890 37.300 -1.410 2
1 781 . 1 1 A 169 169 PHE N N 169 118.870 122.533 -3.663 2
1 782 . 1 1 A 170 170 ASP H H 170 8.500 8.110 0.390 2
1 783 . 1 1 A 170 170 ASP C C 170 180.210 178.898 1.312 2
1 784 . 1 1 A 170 170 ASP CA C 170 57.850 57.160 0.690 2
1 785 . 1 1 A 170 170 ASP CB C 170 41.060 40.210 0.850 2
1 786 . 1 1 A 170 170 ASP N N 170 116.690 118.706 -2.016 2
1 787 . 1 1 A 171 171 GLN H H 171 8.090 7.850 0.240 2
1 788 . 1 1 A 171 171 GLN C C 171 180.330 178.338 1.992 2
1 789 . 1 1 A 171 171 GLN CA C 171 59.020 58.609 0.411 2
1 790 . 1 1 A 171 171 GLN CB C 171 28.030 28.192 -0.162 2
1 791 . 1 1 A 171 171 GLN N N 171 121.600 119.773 1.827 2
1 792 . 1 1 A 172 172 LEU H H 172 8.320 8.287 0.033 2
1 793 . 1 1 A 172 172 LEU C C 172 179.490 179.558 -0.068 2
1 794 . 1 1 A 172 172 LEU CA C 172 57.310 57.580 -0.270 2
1 795 . 1 1 A 172 172 LEU CB C 172 41.450 40.740 0.710 2
1 796 . 1 1 A 172 172 LEU N N 172 120.550 119.472 1.078 2
1 797 . 1 1 A 173 173 ALA H H 173 8.920 7.977 0.943 2
1 798 . 1 1 A 173 173 ALA C C 173 182.280 179.648 2.632 2
1 799 . 1 1 A 173 173 ALA CA C 173 54.710 55.078 -0.368 2
1 800 . 1 1 A 173 173 ALA CB C 173 18.600 18.241 0.359 2
1 801 . 1 1 A 173 173 ALA N N 173 126.640 122.409 4.231 2
1 802 . 1 1 A 174 174 ALA H H 174 8.080 8.183 -0.103 2
1 803 . 1 1 A 174 174 ALA C C 174 179.040 179.647 -0.607 2
1 804 . 1 1 A 174 174 ALA CA C 174 54.720 54.862 -0.142 2
1 805 . 1 1 A 174 174 ALA CB C 174 17.700 18.073 -0.373 2
1 806 . 1 1 A 174 174 ALA N N 174 123.990 120.099 3.891 2
1 807 . 1 1 A 175 175 ALA H H 175 7.350 7.554 -0.204 2
1 808 . 1 1 A 175 175 ALA C C 175 177.680 177.713 -0.033 2
1 809 . 1 1 A 175 175 ALA CA C 175 52.070 52.046 0.024 2
1 810 . 1 1 A 175 175 ALA CB C 175 20.420 19.394 1.026 2
1 811 . 1 1 A 175 175 ALA N N 175 117.180 117.869 -0.689 2
1 812 . 1 1 A 176 176 GLY H H 176 7.860 7.813 0.047 2
1 813 . 1 1 A 176 176 GLY C C 176 174.540 174.830 -0.290 2
1 814 . 1 1 A 176 176 GLY CA C 176 45.580 45.543 0.037 2
1 815 . 1 1 A 176 176 GLY N N 176 105.390 105.888 -0.498 2
1 816 . 1 1 A 177 177 VAL H H 177 7.600 8.018 -0.418 2
1 817 . 1 1 A 177 177 VAL C C 177 173.630 175.791 -2.161 2
1 818 . 1 1 A 177 177 VAL CA C 177 62.040 63.462 -1.422 2
1 819 . 1 1 A 177 177 VAL CB C 177 33.110 32.838 0.272 2
1 820 . 1 1 A 177 177 VAL N N 177 113.850 118.039 -4.189 2
1 821 . 1 1 A 178 178 ALA H H 178 6.910 7.714 -0.804 2
1 822 . 1 1 A 178 178 ALA C C 178 175.350 175.121 0.229 2
1 823 . 1 1 A 178 178 ALA CA C 178 48.670 49.959 -1.289 2
1 824 . 1 1 A 178 178 ALA CB C 178 24.400 22.642 1.758 2
1 825 . 1 1 A 178 178 ALA N N 178 119.610 122.482 -2.872 2
1 826 . 1 1 A 179 179 HIS H H 179 8.670 8.915 -0.245 2
1 827 . 1 1 A 179 179 HIS C C 179 172.520 174.282 -1.762 2
1 828 . 1 1 A 179 179 HIS CA C 179 55.040 54.674 0.366 2
1 829 . 1 1 A 179 179 HIS CB C 179 31.730 32.865 -1.135 2
1 830 . 1 1 A 179 179 HIS N N 179 116.470 117.326 -0.856 2
1 831 . 1 1 A 180 180 ALA H H 180 8.470 8.780 -0.310 2
1 832 . 1 1 A 180 180 ALA C C 180 178.680 177.474 1.206 2
1 833 . 1 1 A 180 180 ALA CA C 180 50.590 51.086 -0.496 2
1 834 . 1 1 A 180 180 ALA CB C 180 19.480 19.487 -0.007 2
1 835 . 1 1 A 180 180 ALA N N 180 127.900 126.416 1.484 2
1 836 . 1 1 A 181 181 THR H H 181 8.560 8.620 -0.060 2
1 837 . 1 1 A 181 181 THR C C 181 172.400 172.238 0.162 2
1 838 . 1 1 A 181 181 THR CA C 181 58.960 58.380 0.580 2
1 839 . 1 1 A 181 181 THR CB C 181 69.080 69.476 -0.396 2
1 840 . 1 1 A 181 181 THR N N 181 117.730 112.732 4.998 2
1 841 . 1 1 A 182 182 PRO C C 182 176.760 177.426 -0.666 2
1 842 . 1 1 A 182 182 PRO CA C 182 63.060 62.861 0.199 2
1 843 . 1 1 A 182 182 PRO CB C 182 32.290 32.603 -0.313 2
1 844 . 1 1 A 183 183 ALA H H 183 8.260 8.633 -0.373 2
1 845 . 1 1 A 183 183 ALA C C 183 176.440 177.169 -0.729 2
1 846 . 1 1 A 183 183 ALA CA C 183 52.400 54.894 -2.494 2
1 847 . 1 1 A 183 183 ALA CB C 183 19.520 18.199 1.321 2
1 848 . 1 1 A 183 183 ALA N N 183 126.100 125.534 0.566 2
stop_
save_