data_18520 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18520 _Entry.PDB_ID 2LUG save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18520 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLN N N 2 122.100 122.100 119.668 2.432 18520 2 1 1 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.517 -0.397 18520 3 1 1 . 1 1 2 2 GLN C C 2 173.600 173.600 174.972 -1.372 18520 4 1 1 . 1 1 2 2 GLN CA C 2 55.700 55.700 53.946 1.754 18520 5 1 1 . 1 1 2 2 GLN CB C 2 29.200 29.200 31.199 -1.999 18520 6 1 1 . 1 1 2 2 GLN H H 2 8.340 8.340 8.487 -0.147 18520 7 1 1 . 1 1 3 3 HIS N N 3 120.300 120.300 118.327 1.973 18520 8 1 1 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.692 -0.202 18520 9 1 1 . 1 1 3 3 HIS C C 3 173.400 173.400 175.252 -1.852 18520 10 1 1 . 1 1 3 3 HIS CA C 3 55.700 55.700 55.608 0.092 18520 11 1 1 . 1 1 3 3 HIS CB C 3 29.800 29.800 31.743 -1.943 18520 12 1 1 . 1 1 3 3 HIS H H 3 8.440 8.440 8.310 0.130 18520 13 1 1 . 1 1 4 4 GLY N N 4 110.300 110.300 109.175 1.125 18520 14 1 1 . 1 1 4 4 GLY C C 4 171.900 171.900 172.628 -0.728 18520 15 1 1 . 1 1 4 4 GLY CA C 4 45.000 45.000 45.522 -0.522 18520 16 1 1 . 1 1 4 4 GLY H H 4 8.370 8.370 8.264 0.106 18520 17 1 1 . 1 1 5 5 ARG N N 5 120.800 120.800 119.415 1.385 18520 18 1 1 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.720 -0.480 18520 19 1 1 . 1 1 5 5 ARG C C 5 174.700 174.700 176.333 -1.633 18520 20 1 1 . 1 1 5 5 ARG CA C 5 55.800 55.800 55.637 0.163 18520 21 1 1 . 1 1 5 5 ARG CB C 5 30.500 30.500 31.084 -0.584 18520 22 1 1 . 1 1 5 5 ARG H H 5 8.240 8.240 8.413 -0.173 18520 23 1 1 . 1 1 6 6 THR N N 6 116.100 116.100 115.678 0.422 18520 24 1 1 . 1 1 6 6 THR HA H 6 4.120 4.120 4.404 -0.284 18520 25 1 1 . 1 1 6 6 THR C C 6 172.600 172.600 173.724 -1.124 18520 26 1 1 . 1 1 6 6 THR CA C 6 61.900 61.900 61.592 0.308 18520 27 1 1 . 1 1 6 6 THR CB C 6 69.500 69.500 69.972 -0.472 18520 28 1 1 . 1 1 6 6 THR H H 6 8.240 8.240 7.812 0.427 18520 29 1 1 . 1 1 7 7 GLN N N 7 122.000 122.000 124.333 -2.333 18520 30 1 1 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.191 -0.071 18520 31 1 1 . 1 1 7 7 GLN C C 7 173.400 173.400 176.161 -2.761 18520 32 1 1 . 1 1 7 7 GLN CA C 7 55.800 55.800 56.577 -0.777 18520 33 1 1 . 1 1 7 7 GLN CB C 7 29.300 29.300 29.465 -0.165 18520 34 1 1 . 1 1 7 7 GLN H H 7 8.390 8.390 8.422 -0.032 18520 35 1 1 . 1 1 8 8 ASP N N 8 121.400 121.400 125.974 -4.574 18520 36 1 1 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.600 -0.220 18520 37 1 1 . 1 1 8 8 ASP C C 8 173.700 173.700 175.600 -1.900 18520 38 1 1 . 1 1 8 8 ASP CA C 8 54.300 54.300 55.225 -0.925 18520 39 1 1 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.210 -0.410 18520 40 1 1 . 1 1 8 8 ASP H H 8 8.180 8.180 8.560 -0.380 18520 41 1 1 . 1 1 9 9 GLU N N 9 120.600 120.600 126.277 -5.677 18520 42 1 1 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.229 -0.089 18520 43 1 1 . 1 1 9 9 GLU C C 9 173.700 173.700 176.012 -2.312 18520 44 1 1 . 1 1 9 9 GLU CA C 9 55.600 55.600 56.295 -0.695 18520 45 1 1 . 1 1 9 9 GLU CB C 9 30.800 30.800 30.583 0.217 18520 46 1 1 . 1 1 9 9 GLU H H 9 8.050 8.050 8.608 -0.558 18520 47 1 1 . 1 1 10 10 ASN N N 10 124.100 124.100 126.167 -2.067 18520 48 1 1 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.827 -0.147 18520 49 1 1 . 1 1 10 10 ASN C C 10 172.400 172.400 175.195 -2.795 18520 50 1 1 . 1 1 10 10 ASN CA C 10 51.900 51.900 51.281 0.619 18520 51 1 1 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.785 1.615 18520 52 1 1 . 1 1 10 10 ASN H H 10 8.950 8.950 8.825 0.125 18520 53 1 1 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.037 0.213 18520 54 1 1 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.212 -0.212 18520 55 1 1 . 1 1 11 11 PRO CB C 11 32.400 32.400 31.743 0.657 18520 56 1 1 . 1 1 12 12 VAL N N 12 119.100 119.100 119.048 0.052 18520 57 1 1 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.694 -0.094 18520 58 1 1 . 1 1 12 12 VAL C C 12 175.300 175.300 178.312 -3.012 18520 59 1 1 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.935 0.365 18520 60 1 1 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.347 -0.247 18520 61 1 1 . 1 1 12 12 VAL H H 12 8.190 8.190 7.794 0.396 18520 62 1 1 . 1 1 13 13 VAL N N 13 120.000 120.000 120.053 -0.053 18520 63 1 1 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.676 -0.206 18520 64 1 1 . 1 1 13 13 VAL C C 13 175.400 175.400 177.887 -2.487 18520 65 1 1 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.246 0.554 18520 66 1 1 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.372 0.128 18520 67 1 1 . 1 1 13 13 VAL H H 13 7.430 7.430 7.741 -0.311 18520 68 1 1 . 1 1 14 14 HIS N N 14 116.900 116.900 120.376 -3.476 18520 69 1 1 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.350 -0.430 18520 70 1 1 . 1 1 14 14 HIS C C 14 174.400 174.400 177.439 -3.039 18520 71 1 1 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.919 -0.219 18520 72 1 1 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.808 -0.508 18520 73 1 1 . 1 1 14 14 HIS H H 14 8.320 8.320 8.498 -0.178 18520 74 1 1 . 1 1 15 15 PHE N N 15 118.600 118.600 117.938 0.662 18520 75 1 1 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.136 -0.166 18520 76 1 1 . 1 1 15 15 PHE C C 15 175.200 175.200 177.993 -2.793 18520 77 1 1 . 1 1 15 15 PHE CA C 15 61.200 61.200 59.147 2.053 18520 78 1 1 . 1 1 15 15 PHE CB C 15 39.000 39.000 37.832 1.168 18520 79 1 1 . 1 1 15 15 PHE H H 15 7.770 7.770 8.019 -0.249 18520 80 1 1 . 1 1 16 16 PHE N N 16 116.500 116.500 120.650 -4.150 18520 81 1 1 . 1 1 16 16 PHE HA H 16 3.920 3.920 4.007 -0.087 18520 82 1 1 . 1 1 16 16 PHE C C 16 175.500 175.500 177.152 -1.652 18520 83 1 1 . 1 1 16 16 PHE CA C 16 61.700 61.700 62.155 -0.455 18520 84 1 1 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.210 -0.010 18520 85 1 1 . 1 1 16 16 PHE H H 16 7.890 7.890 8.603 -0.713 18520 86 1 1 . 1 1 17 17 LYS N N 17 117.900 117.900 118.307 -0.407 18520 87 1 1 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.769 -0.069 18520 88 1 1 . 1 1 17 17 LYS C C 17 175.900 175.900 178.991 -3.091 18520 89 1 1 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.438 0.262 18520 90 1 1 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.170 0.130 18520 91 1 1 . 1 1 17 17 LYS H H 17 8.430 8.430 8.398 0.032 18520 92 1 1 . 1 1 18 18 ASN N N 18 115.200 115.200 117.219 -2.019 18520 93 1 1 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.375 -0.105 18520 94 1 1 . 1 1 18 18 ASN C C 18 173.900 173.900 176.745 -2.845 18520 95 1 1 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.793 -1.293 18520 96 1 1 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.219 0.281 18520 97 1 1 . 1 1 18 18 ASN H H 18 7.460 7.460 8.017 -0.557 18520 98 1 1 . 1 1 19 19 ILE N N 19 117.600 117.600 118.138 -0.538 18520 99 1 1 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.836 -0.156 18520 100 1 1 . 1 1 19 19 ILE C C 19 173.800 173.800 177.434 -3.634 18520 101 1 1 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.829 -0.929 18520 102 1 1 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.454 -0.654 18520 103 1 1 . 1 1 19 19 ILE H H 19 7.170 7.170 7.353 -0.183 18520 104 1 1 . 1 1 20 20 VAL N N 20 113.300 113.300 112.843 0.457 18520 105 1 1 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.108 -0.168 18520 106 1 1 . 1 1 20 20 VAL C C 20 173.400 173.400 176.160 -2.760 18520 107 1 1 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.013 -0.812 18520 108 1 1 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.514 -0.514 18520 109 1 1 . 1 1 20 20 VAL H H 20 7.210 7.210 7.447 -0.237 18520 110 1 1 . 1 1 21 21 THR N N 21 117.300 117.300 118.123 -0.823 18520 111 1 1 . 1 1 21 21 THR HA H 21 4.320 4.320 4.739 -0.419 18520 112 1 1 . 1 1 21 21 THR C C 21 180.100 180.100 172.494 7.606 18520 113 1 1 . 1 1 21 21 THR CA C 21 58.200 58.200 58.701 -0.501 18520 114 1 1 . 1 1 21 21 THR CB C 21 69.500 69.500 70.340 -0.840 18520 115 1 1 . 1 1 21 21 THR H H 21 7.600 7.600 7.693 -0.093 18520 116 1 1 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.361 -0.121 18520 117 1 1 . 1 1 22 22 PRO C C 22 174.800 174.800 176.645 -1.845 18520 118 1 1 . 1 1 22 22 PRO CA C 22 62.800 62.800 63.773 -0.973 18520 119 1 1 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.099 -0.399 18520 120 1 1 . 1 1 23 23 ARG N N 23 121.500 121.500 120.696 0.804 18520 121 1 1 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.381 -0.221 18520 122 1 1 . 1 1 23 23 ARG C C 23 174.200 174.200 176.001 -1.801 18520 123 1 1 . 1 1 23 23 ARG CA C 23 55.800 55.800 55.862 -0.062 18520 124 1 1 . 1 1 23 23 ARG CB C 23 30.600 30.600 30.608 -0.008 18520 125 1 1 . 1 1 23 23 ARG H H 23 8.440 8.440 7.778 0.662 18520 126 1 1 . 1 1 24 24 THR N N 24 118.500 118.500 120.599 -2.099 18520 127 1 1 . 1 1 24 24 THR HA H 24 4.360 4.360 4.338 0.022 18520 128 1 1 . 1 1 24 24 THR C C 24 180.200 180.200 173.495 6.705 18520 129 1 1 . 1 1 24 24 THR CA C 24 59.700 59.700 61.515 -1.815 18520 130 1 1 . 1 1 24 24 THR CB C 24 69.600 69.600 69.036 0.564 18520 131 1 1 . 1 1 24 24 THR H H 24 8.150 8.150 8.225 -0.075 18520 132 1 1 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.514 -0.024 18520 133 1 1 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.928 -0.728 18520 134 1 1 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.377 -0.877 18520 135 1 1 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.547 -0.027 18520 136 1 1 . 1 1 26 26 PRO CA C 26 61.100 61.100 61.675 -0.575 18520 137 1 1 . 1 1 26 26 PRO CB C 26 30.500 30.500 31.355 -0.855 18520 138 1 1 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.411 -0.161 18520 139 1 1 . 1 1 27 27 PRO C C 27 175.000 175.000 176.555 -1.555 18520 140 1 1 . 1 1 27 27 PRO CA C 27 62.800 62.800 62.383 0.417 18520 141 1 1 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.363 -0.663 18520 142 1 1 . 1 1 28 28 SER N N 28 115.800 115.800 116.034 -0.234 18520 143 1 1 . 1 1 28 28 SER HA H 28 4.210 4.210 4.319 -0.109 18520 144 1 1 . 1 1 28 28 SER C C 28 172.600 172.600 174.474 -1.874 18520 145 1 1 . 1 1 28 28 SER CA C 28 58.100 58.100 59.363 -1.263 18520 146 1 1 . 1 1 28 28 SER CB C 28 63.400 63.400 63.704 -0.304 18520 147 1 1 . 1 1 28 28 SER H H 28 8.300 8.300 8.339 -0.039 18520 148 1 1 . 1 1 29 29 GLN N N 29 122.000 122.000 122.190 -0.190 18520 149 1 1 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.961 -0.781 18520 150 1 1 . 1 1 29 29 GLN C C 29 174.200 174.200 176.984 -2.784 18520 151 1 1 . 1 1 29 29 GLN CA C 29 55.700 55.700 53.821 1.879 18520 152 1 1 . 1 1 29 29 GLN CB C 29 29.100 29.100 31.046 -1.946 18520 153 1 1 . 1 1 29 29 GLN H H 29 8.360 8.360 8.645 -0.284 18520 154 1 1 . 1 1 30 30 GLY N N 30 109.900 109.900 108.762 1.138 18520 155 1 1 . 1 1 30 30 GLY C C 30 172.000 172.000 173.350 -1.350 18520 156 1 1 . 1 1 30 30 GLY CA C 30 45.000 45.000 44.942 0.058 18520 157 1 1 . 1 1 30 30 GLY H H 30 8.310 8.310 8.542 -0.232 18520 158 1 1 . 1 1 31 31 LYS N N 31 120.800 120.800 124.229 -3.429 18520 159 1 1 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.017 0.123 18520 160 1 1 . 1 1 31 31 LYS C C 31 175.100 175.100 177.195 -2.095 18520 161 1 1 . 1 1 31 31 LYS CA C 31 56.100 56.100 57.967 -1.867 18520 162 1 1 . 1 1 31 31 LYS CB C 31 32.700 32.700 32.361 0.339 18520 163 1 1 . 1 1 31 31 LYS H H 31 8.180 8.180 8.511 -0.331 18520 164 1 1 . 1 1 32 32 GLY N N 32 109.900 109.900 114.072 -4.172 18520 165 1 1 . 1 1 32 32 GLY C C 32 171.900 171.900 176.078 -4.178 18520 166 1 1 . 1 1 32 32 GLY CA C 32 45.000 45.000 45.279 -0.279 18520 167 1 1 . 1 1 32 32 GLY H H 32 8.390 8.390 8.632 -0.242 18520 168 1 1 . 1 1 33 33 ARG N N 33 120.600 120.600 121.454 -0.854 18520 169 1 1 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.183 -0.043 18520 170 1 1 . 1 1 33 33 ARG C C 33 174.800 174.800 178.094 -3.294 18520 171 1 1 . 1 1 33 33 ARG CA C 33 55.900 55.900 58.311 -2.411 18520 172 1 1 . 1 1 33 33 ARG CB C 33 30.300 30.300 29.994 0.306 18520 173 1 1 . 1 1 33 33 ARG H H 33 8.190 8.190 7.874 0.316 18520 174 1 1 . 1 1 34 34 GLY N N 34 110.000 110.000 106.880 3.120 18520 175 1 1 . 1 1 34 34 GLY C C 34 171.900 171.900 175.599 -3.699 18520 176 1 1 . 1 1 34 34 GLY CA C 34 45.000 45.000 46.486 -1.486 18520 177 1 1 . 1 1 34 34 GLY H H 34 8.400 8.400 8.531 -0.131 18520 178 1 1 . 1 1 35 35 LEU N N 35 121.800 121.800 120.418 1.382 18520 179 1 1 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.309 -0.079 18520 180 1 1 . 1 1 35 35 LEU C C 35 174.600 174.600 177.896 -3.296 18520 181 1 1 . 1 1 35 35 LEU CA C 35 54.800 54.800 55.323 -0.523 18520 182 1 1 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.197 0.003 18520 183 1 1 . 1 1 35 35 LEU H H 35 8.050 8.050 7.327 0.723 18520 184 1 2 . 1 1 2 2 GLN N N 2 122.100 122.100 124.197 -2.097 18520 185 1 2 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.727 -0.607 18520 186 1 2 . 1 1 2 2 GLN C C 2 173.600 173.600 175.096 -1.496 18520 187 1 2 . 1 1 2 2 GLN CA C 2 55.700 55.700 54.726 0.974 18520 188 1 2 . 1 1 2 2 GLN CB C 2 29.200 29.200 30.372 -1.172 18520 189 1 2 . 1 1 2 2 GLN H H 2 8.340 8.340 8.338 0.002 18520 190 1 2 . 1 1 3 3 HIS N N 3 120.300 120.300 119.787 0.513 18520 191 1 2 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.328 0.162 18520 192 1 2 . 1 1 3 3 HIS C C 3 173.400 173.400 175.780 -2.380 18520 193 1 2 . 1 1 3 3 HIS CA C 3 55.700 55.700 56.980 -1.280 18520 194 1 2 . 1 1 3 3 HIS CB C 3 29.800 29.800 30.682 -0.882 18520 195 1 2 . 1 1 3 3 HIS H H 3 8.440 8.440 8.569 -0.129 18520 196 1 2 . 1 1 4 4 GLY N N 4 110.300 110.300 112.363 -2.063 18520 197 1 2 . 1 1 4 4 GLY C C 4 171.900 171.900 173.123 -1.223 18520 198 1 2 . 1 1 4 4 GLY CA C 4 45.000 45.000 43.996 1.004 18520 199 1 2 . 1 1 4 4 GLY H H 4 8.370 8.370 7.856 0.514 18520 200 1 2 . 1 1 5 5 ARG N N 5 120.800 120.800 120.250 0.550 18520 201 1 2 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.676 -0.436 18520 202 1 2 . 1 1 5 5 ARG C C 5 174.700 174.700 177.321 -2.621 18520 203 1 2 . 1 1 5 5 ARG CA C 5 55.800 55.800 55.743 0.057 18520 204 1 2 . 1 1 5 5 ARG CB C 5 30.500 30.500 31.780 -1.280 18520 205 1 2 . 1 1 5 5 ARG H H 5 8.240 8.240 8.909 -0.668 18520 206 1 2 . 1 1 6 6 THR N N 6 116.100 116.100 119.380 -3.280 18520 207 1 2 . 1 1 6 6 THR HA H 6 4.120 4.120 4.498 -0.378 18520 208 1 2 . 1 1 6 6 THR C C 6 172.600 172.600 175.644 -3.044 18520 209 1 2 . 1 1 6 6 THR CA C 6 61.900 61.900 64.232 -2.332 18520 210 1 2 . 1 1 6 6 THR CB C 6 69.500 69.500 69.138 0.362 18520 211 1 2 . 1 1 6 6 THR H H 6 8.240 8.240 9.085 -0.845 18520 212 1 2 . 1 1 7 7 GLN N N 7 122.000 122.000 118.917 3.083 18520 213 1 2 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.301 -0.181 18520 214 1 2 . 1 1 7 7 GLN C C 7 173.400 173.400 176.845 -3.445 18520 215 1 2 . 1 1 7 7 GLN CA C 7 55.800 55.800 57.965 -2.165 18520 216 1 2 . 1 1 7 7 GLN CB C 7 29.300 29.300 28.393 0.907 18520 217 1 2 . 1 1 7 7 GLN H H 7 8.390 8.390 8.397 -0.007 18520 218 1 2 . 1 1 8 8 ASP N N 8 121.400 121.400 117.283 4.117 18520 219 1 2 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.703 -0.323 18520 220 1 2 . 1 1 8 8 ASP C C 8 173.700 173.700 175.979 -2.279 18520 221 1 2 . 1 1 8 8 ASP CA C 8 54.300 54.300 54.909 -0.609 18520 222 1 2 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.596 -0.796 18520 223 1 2 . 1 1 8 8 ASP H H 8 8.180 8.180 8.248 -0.068 18520 224 1 2 . 1 1 9 9 GLU N N 9 120.600 120.600 119.911 0.689 18520 225 1 2 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.439 -0.299 18520 226 1 2 . 1 1 9 9 GLU C C 9 173.700 173.700 175.157 -1.457 18520 227 1 2 . 1 1 9 9 GLU CA C 9 55.600 55.600 55.239 0.361 18520 228 1 2 . 1 1 9 9 GLU CB C 9 30.800 30.800 31.284 -0.484 18520 229 1 2 . 1 1 9 9 GLU H H 9 8.050 8.050 8.096 -0.046 18520 230 1 2 . 1 1 10 10 ASN N N 10 124.100 124.100 122.797 1.303 18520 231 1 2 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.622 0.058 18520 232 1 2 . 1 1 10 10 ASN C C 10 172.400 172.400 175.160 -2.760 18520 233 1 2 . 1 1 10 10 ASN CA C 10 51.900 51.900 51.823 0.077 18520 234 1 2 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.840 1.560 18520 235 1 2 . 1 1 10 10 ASN H H 10 8.950 8.950 8.739 0.211 18520 236 1 2 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.315 -0.065 18520 237 1 2 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.340 -0.340 18520 238 1 2 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.058 0.342 18520 239 1 2 . 1 1 12 12 VAL N N 12 119.100 119.100 119.223 -0.123 18520 240 1 2 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.572 0.028 18520 241 1 2 . 1 1 12 12 VAL C C 12 175.300 175.300 177.955 -2.655 18520 242 1 2 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.658 0.642 18520 243 1 2 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.119 -0.019 18520 244 1 2 . 1 1 12 12 VAL H H 12 8.190 8.190 7.822 0.368 18520 245 1 2 . 1 1 13 13 VAL N N 13 120.000 120.000 120.033 -0.033 18520 246 1 2 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.510 -0.040 18520 247 1 2 . 1 1 13 13 VAL C C 13 175.400 175.400 177.883 -2.483 18520 248 1 2 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.227 0.573 18520 249 1 2 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.413 0.087 18520 250 1 2 . 1 1 13 13 VAL H H 13 7.430 7.430 7.653 -0.223 18520 251 1 2 . 1 1 14 14 HIS N N 14 116.900 116.900 118.698 -1.798 18520 252 1 2 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.186 -0.266 18520 253 1 2 . 1 1 14 14 HIS C C 14 174.400 174.400 177.717 -3.317 18520 254 1 2 . 1 1 14 14 HIS CA C 14 59.700 59.700 58.769 0.931 18520 255 1 2 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.978 -0.678 18520 256 1 2 . 1 1 14 14 HIS H H 14 8.320 8.320 7.987 0.333 18520 257 1 2 . 1 1 15 15 PHE N N 15 118.600 118.600 121.422 -2.822 18520 258 1 2 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.074 -0.104 18520 259 1 2 . 1 1 15 15 PHE C C 15 175.200 175.200 177.102 -1.902 18520 260 1 2 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.252 -0.052 18520 261 1 2 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.814 0.186 18520 262 1 2 . 1 1 15 15 PHE H H 15 7.770 7.770 8.087 -0.317 18520 263 1 2 . 1 1 16 16 PHE N N 16 116.500 116.500 117.153 -0.653 18520 264 1 2 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.984 -0.064 18520 265 1 2 . 1 1 16 16 PHE C C 16 175.500 175.500 177.962 -2.462 18520 266 1 2 . 1 1 16 16 PHE CA C 16 61.700 61.700 59.345 2.355 18520 267 1 2 . 1 1 16 16 PHE CB C 16 39.200 39.200 37.970 1.230 18520 268 1 2 . 1 1 16 16 PHE H H 16 7.890 7.890 8.109 -0.219 18520 269 1 2 . 1 1 17 17 LYS N N 17 117.900 117.900 119.267 -1.367 18520 270 1 2 . 1 1 17 17 LYS HA H 17 3.700 3.700 4.019 -0.319 18520 271 1 2 . 1 1 17 17 LYS C C 17 175.900 175.900 178.854 -2.954 18520 272 1 2 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.508 0.192 18520 273 1 2 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.197 0.103 18520 274 1 2 . 1 1 17 17 LYS H H 17 8.430 8.430 8.317 0.113 18520 275 1 2 . 1 1 18 18 ASN N N 18 115.200 115.200 116.146 -0.946 18520 276 1 2 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.644 -0.374 18520 277 1 2 . 1 1 18 18 ASN C C 18 173.900 173.900 175.717 -1.817 18520 278 1 2 . 1 1 18 18 ASN CA C 18 54.500 54.500 54.819 -0.319 18520 279 1 2 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.315 0.185 18520 280 1 2 . 1 1 18 18 ASN H H 18 7.460 7.460 8.082 -0.622 18520 281 1 2 . 1 1 19 19 ILE N N 19 117.600 117.600 117.161 0.439 18520 282 1 2 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.927 -0.247 18520 283 1 2 . 1 1 19 19 ILE C C 19 173.800 173.800 176.995 -3.195 18520 284 1 2 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.144 -0.244 18520 285 1 2 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.950 -1.150 18520 286 1 2 . 1 1 19 19 ILE H H 19 7.170 7.170 7.323 -0.153 18520 287 1 2 . 1 1 20 20 VAL N N 20 113.300 113.300 113.808 -0.508 18520 288 1 2 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.103 -0.163 18520 289 1 2 . 1 1 20 20 VAL C C 20 173.400 173.400 176.182 -2.782 18520 290 1 2 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.198 -0.998 18520 291 1 2 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.590 -0.590 18520 292 1 2 . 1 1 20 20 VAL H H 20 7.210 7.210 7.539 -0.329 18520 293 1 2 . 1 1 21 21 THR N N 21 117.300 117.300 112.323 4.977 18520 294 1 2 . 1 1 21 21 THR HA H 21 4.320 4.320 4.808 -0.488 18520 295 1 2 . 1 1 21 21 THR C C 21 180.100 180.100 172.102 7.998 18520 296 1 2 . 1 1 21 21 THR CA C 21 58.200 58.200 58.558 -0.358 18520 297 1 2 . 1 1 21 21 THR CB C 21 69.500 69.500 69.945 -0.446 18520 298 1 2 . 1 1 21 21 THR H H 21 7.600 7.600 7.828 -0.228 18520 299 1 2 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.322 -0.082 18520 300 1 2 . 1 1 22 22 PRO C C 22 174.800 174.800 177.364 -2.564 18520 301 1 2 . 1 1 22 22 PRO CA C 22 62.800 62.800 62.949 -0.149 18520 302 1 2 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.019 -0.319 18520 303 1 2 . 1 1 23 23 ARG N N 23 121.500 121.500 121.990 -0.490 18520 304 1 2 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.248 -0.088 18520 305 1 2 . 1 1 23 23 ARG C C 23 174.200 174.200 176.812 -2.612 18520 306 1 2 . 1 1 23 23 ARG CA C 23 55.800 55.800 57.263 -1.463 18520 307 1 2 . 1 1 23 23 ARG CB C 23 30.600 30.600 29.716 0.884 18520 308 1 2 . 1 1 23 23 ARG H H 23 8.440 8.440 8.519 -0.079 18520 309 1 2 . 1 1 24 24 THR N N 24 118.500 118.500 118.151 0.349 18520 310 1 2 . 1 1 24 24 THR HA H 24 4.360 4.360 4.582 -0.222 18520 311 1 2 . 1 1 24 24 THR C C 24 180.200 180.200 173.805 6.395 18520 312 1 2 . 1 1 24 24 THR CA C 24 59.700 59.700 59.876 -0.176 18520 313 1 2 . 1 1 24 24 THR CB C 24 69.600 69.600 69.724 -0.124 18520 314 1 2 . 1 1 24 24 THR H H 24 8.150 8.150 8.941 -0.791 18520 315 1 2 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.539 -0.049 18520 316 1 2 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.517 -0.317 18520 317 1 2 . 1 1 25 25 PRO CB C 25 30.500 30.500 30.771 -0.271 18520 318 1 2 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.190 0.330 18520 319 1 2 . 1 1 26 26 PRO CA C 26 61.100 61.100 62.056 -0.956 18520 320 1 2 . 1 1 26 26 PRO CB C 26 30.500 30.500 30.809 -0.309 18520 321 1 2 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.322 -0.072 18520 322 1 2 . 1 1 27 27 PRO C C 27 175.000 175.000 176.477 -1.477 18520 323 1 2 . 1 1 27 27 PRO CA C 27 62.800 62.800 63.501 -0.701 18520 324 1 2 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.213 -0.513 18520 325 1 2 . 1 1 28 28 SER N N 28 115.800 115.800 118.461 -2.661 18520 326 1 2 . 1 1 28 28 SER HA H 28 4.210 4.210 4.609 -0.399 18520 327 1 2 . 1 1 28 28 SER C C 28 172.600 172.600 173.738 -1.138 18520 328 1 2 . 1 1 28 28 SER CA C 28 58.100 58.100 57.923 0.177 18520 329 1 2 . 1 1 28 28 SER CB C 28 63.400 63.400 64.265 -0.865 18520 330 1 2 . 1 1 28 28 SER H H 28 8.300 8.300 8.644 -0.344 18520 331 1 2 . 1 1 29 29 GLN N N 29 122.000 122.000 126.832 -4.832 18520 332 1 2 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.152 0.028 18520 333 1 2 . 1 1 29 29 GLN C C 29 174.200 174.200 176.926 -2.726 18520 334 1 2 . 1 1 29 29 GLN CA C 29 55.700 55.700 57.019 -1.319 18520 335 1 2 . 1 1 29 29 GLN CB C 29 29.100 29.100 28.948 0.152 18520 336 1 2 . 1 1 29 29 GLN H H 29 8.360 8.360 8.822 -0.462 18520 337 1 2 . 1 1 30 30 GLY N N 30 109.900 109.900 114.798 -4.898 18520 338 1 2 . 1 1 30 30 GLY C C 30 172.000 172.000 174.834 -2.834 18520 339 1 2 . 1 1 30 30 GLY CA C 30 45.000 45.000 45.317 -0.317 18520 340 1 2 . 1 1 30 30 GLY H H 30 8.310 8.310 8.847 -0.537 18520 341 1 2 . 1 1 31 31 LYS N N 31 120.800 120.800 119.380 1.420 18520 342 1 2 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.667 -0.527 18520 343 1 2 . 1 1 31 31 LYS C C 31 175.100 175.100 176.631 -1.531 18520 344 1 2 . 1 1 31 31 LYS CA C 31 56.100 56.100 54.844 1.256 18520 345 1 2 . 1 1 31 31 LYS CB C 31 32.700 32.700 33.033 -0.334 18520 346 1 2 . 1 1 31 31 LYS H H 31 8.180 8.180 7.768 0.412 18520 347 1 2 . 1 1 32 32 GLY N N 32 109.900 109.900 107.984 1.916 18520 348 1 2 . 1 1 32 32 GLY C C 32 171.900 171.900 176.252 -4.352 18520 349 1 2 . 1 1 32 32 GLY CA C 32 45.000 45.000 46.106 -1.106 18520 350 1 2 . 1 1 32 32 GLY H H 32 8.390 8.390 8.491 -0.101 18520 351 1 2 . 1 1 33 33 ARG N N 33 120.600 120.600 121.474 -0.874 18520 352 1 2 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.402 -0.262 18520 353 1 2 . 1 1 33 33 ARG C C 33 174.800 174.800 176.676 -1.876 18520 354 1 2 . 1 1 33 33 ARG CA C 33 55.900 55.900 56.231 -0.331 18520 355 1 2 . 1 1 33 33 ARG CB C 33 30.300 30.300 30.869 -0.569 18520 356 1 2 . 1 1 33 33 ARG H H 33 8.190 8.190 7.949 0.241 18520 357 1 2 . 1 1 34 34 GLY N N 34 110.000 110.000 105.503 4.497 18520 358 1 2 . 1 1 34 34 GLY C C 34 171.900 171.900 174.404 -2.504 18520 359 1 2 . 1 1 34 34 GLY CA C 34 45.000 45.000 45.268 -0.268 18520 360 1 2 . 1 1 34 34 GLY H H 34 8.400 8.400 8.267 0.133 18520 361 1 2 . 1 1 35 35 LEU N N 35 121.800 121.800 121.629 0.171 18520 362 1 2 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.348 -0.118 18520 363 1 2 . 1 1 35 35 LEU C C 35 174.600 174.600 176.788 -2.188 18520 364 1 2 . 1 1 35 35 LEU CA C 35 54.800 54.800 55.203 -0.403 18520 365 1 2 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.423 -0.223 18520 366 1 2 . 1 1 35 35 LEU H H 35 8.050 8.050 7.951 0.099 18520 367 1 3 . 1 1 2 2 GLN N N 2 122.100 122.100 124.310 -2.210 18520 368 1 3 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.207 -0.087 18520 369 1 3 . 1 1 2 2 GLN C C 2 173.600 173.600 175.316 -1.716 18520 370 1 3 . 1 1 2 2 GLN CA C 2 55.700 55.700 56.217 -0.516 18520 371 1 3 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.112 0.088 18520 372 1 3 . 1 1 2 2 GLN H H 2 8.340 8.340 8.563 -0.223 18520 373 1 3 . 1 1 3 3 HIS N N 3 120.300 120.300 125.982 -5.682 18520 374 1 3 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.581 -0.091 18520 375 1 3 . 1 1 3 3 HIS C C 3 173.400 173.400 174.761 -1.361 18520 376 1 3 . 1 1 3 3 HIS CA C 3 55.700 55.700 56.562 -0.862 18520 377 1 3 . 1 1 3 3 HIS CB C 3 29.800 29.800 30.621 -0.821 18520 378 1 3 . 1 1 3 3 HIS H H 3 8.440 8.440 8.508 -0.068 18520 379 1 3 . 1 1 4 4 GLY N N 4 110.300 110.300 113.511 -3.211 18520 380 1 3 . 1 1 4 4 GLY C C 4 171.900 171.900 173.555 -1.655 18520 381 1 3 . 1 1 4 4 GLY CA C 4 45.000 45.000 44.596 0.404 18520 382 1 3 . 1 1 4 4 GLY H H 4 8.370 8.370 8.146 0.224 18520 383 1 3 . 1 1 5 5 ARG N N 5 120.800 120.800 120.699 0.101 18520 384 1 3 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.526 -0.286 18520 385 1 3 . 1 1 5 5 ARG C C 5 174.700 174.700 176.031 -1.331 18520 386 1 3 . 1 1 5 5 ARG CA C 5 55.800 55.800 55.961 -0.161 18520 387 1 3 . 1 1 5 5 ARG CB C 5 30.500 30.500 31.172 -0.672 18520 388 1 3 . 1 1 5 5 ARG H H 5 8.240 8.240 8.433 -0.193 18520 389 1 3 . 1 1 6 6 THR N N 6 116.100 116.100 114.356 1.744 18520 390 1 3 . 1 1 6 6 THR HA H 6 4.120 4.120 4.563 -0.443 18520 391 1 3 . 1 1 6 6 THR C C 6 172.600 172.600 174.916 -2.316 18520 392 1 3 . 1 1 6 6 THR CA C 6 61.900 61.900 61.347 0.553 18520 393 1 3 . 1 1 6 6 THR CB C 6 69.500 69.500 70.037 -0.537 18520 394 1 3 . 1 1 6 6 THR H H 6 8.240 8.240 8.276 -0.036 18520 395 1 3 . 1 1 7 7 GLN N N 7 122.000 122.000 123.233 -1.233 18520 396 1 3 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.555 -0.435 18520 397 1 3 . 1 1 7 7 GLN C C 7 173.400 173.400 175.034 -1.634 18520 398 1 3 . 1 1 7 7 GLN CA C 7 55.800 55.800 55.225 0.575 18520 399 1 3 . 1 1 7 7 GLN CB C 7 29.300 29.300 29.553 -0.253 18520 400 1 3 . 1 1 7 7 GLN H H 7 8.390 8.390 8.410 -0.020 18520 401 1 3 . 1 1 8 8 ASP N N 8 121.400 121.400 121.285 0.115 18520 402 1 3 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.671 -0.291 18520 403 1 3 . 1 1 8 8 ASP C C 8 173.700 173.700 176.449 -2.749 18520 404 1 3 . 1 1 8 8 ASP CA C 8 54.300 54.300 53.736 0.564 18520 405 1 3 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.823 -1.023 18520 406 1 3 . 1 1 8 8 ASP H H 8 8.180 8.180 8.500 -0.320 18520 407 1 3 . 1 1 9 9 GLU N N 9 120.600 120.600 118.898 1.702 18520 408 1 3 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.137 0.003 18520 409 1 3 . 1 1 9 9 GLU C C 9 173.700 173.700 176.191 -2.491 18520 410 1 3 . 1 1 9 9 GLU CA C 9 55.600 55.600 57.003 -1.403 18520 411 1 3 . 1 1 9 9 GLU CB C 9 30.800 30.800 30.716 0.084 18520 412 1 3 . 1 1 9 9 GLU H H 9 8.050 8.050 8.715 -0.665 18520 413 1 3 . 1 1 10 10 ASN N N 10 124.100 124.100 119.632 4.468 18520 414 1 3 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.719 -0.039 18520 415 1 3 . 1 1 10 10 ASN C C 10 172.400 172.400 175.281 -2.881 18520 416 1 3 . 1 1 10 10 ASN CA C 10 51.900 51.900 52.753 -0.853 18520 417 1 3 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.663 1.736 18520 418 1 3 . 1 1 10 10 ASN H H 10 8.950 8.950 8.593 0.357 18520 419 1 3 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.516 -0.266 18520 420 1 3 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.577 -0.577 18520 421 1 3 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.010 0.390 18520 422 1 3 . 1 1 12 12 VAL N N 12 119.100 119.100 119.320 -0.220 18520 423 1 3 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.880 -0.280 18520 424 1 3 . 1 1 12 12 VAL C C 12 175.300 175.300 178.381 -3.081 18520 425 1 3 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.987 0.313 18520 426 1 3 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.368 -0.268 18520 427 1 3 . 1 1 12 12 VAL H H 12 8.190 8.190 7.959 0.231 18520 428 1 3 . 1 1 13 13 VAL N N 13 120.000 120.000 120.456 -0.456 18520 429 1 3 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.630 -0.160 18520 430 1 3 . 1 1 13 13 VAL C C 13 175.400 175.400 178.075 -2.675 18520 431 1 3 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.056 0.744 18520 432 1 3 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.301 0.199 18520 433 1 3 . 1 1 13 13 VAL H H 13 7.430 7.430 7.905 -0.475 18520 434 1 3 . 1 1 14 14 HIS N N 14 116.900 116.900 118.127 -1.227 18520 435 1 3 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.461 -0.541 18520 436 1 3 . 1 1 14 14 HIS C C 14 174.400 174.400 177.711 -3.311 18520 437 1 3 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.227 0.473 18520 438 1 3 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.908 -0.608 18520 439 1 3 . 1 1 14 14 HIS H H 14 8.320 8.320 7.957 0.363 18520 440 1 3 . 1 1 15 15 PHE N N 15 118.600 118.600 122.173 -3.573 18520 441 1 3 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.135 -0.165 18520 442 1 3 . 1 1 15 15 PHE C C 15 175.200 175.200 176.961 -1.761 18520 443 1 3 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.575 -0.376 18520 444 1 3 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.778 0.222 18520 445 1 3 . 1 1 15 15 PHE H H 15 7.770 7.770 8.212 -0.442 18520 446 1 3 . 1 1 16 16 PHE N N 16 116.500 116.500 119.497 -2.997 18520 447 1 3 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.851 0.069 18520 448 1 3 . 1 1 16 16 PHE C C 16 175.500 175.500 177.100 -1.600 18520 449 1 3 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.884 -0.184 18520 450 1 3 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.243 -0.043 18520 451 1 3 . 1 1 16 16 PHE H H 16 7.890 7.890 8.251 -0.361 18520 452 1 3 . 1 1 17 17 LYS N N 17 117.900 117.900 117.912 -0.012 18520 453 1 3 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.749 -0.049 18520 454 1 3 . 1 1 17 17 LYS C C 17 175.900 175.900 178.848 -2.948 18520 455 1 3 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.367 0.333 18520 456 1 3 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.167 0.133 18520 457 1 3 . 1 1 17 17 LYS H H 17 8.430 8.430 8.073 0.357 18520 458 1 3 . 1 1 18 18 ASN N N 18 115.200 115.200 117.236 -2.036 18520 459 1 3 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.438 -0.168 18520 460 1 3 . 1 1 18 18 ASN C C 18 173.900 173.900 176.374 -2.474 18520 461 1 3 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.705 -1.205 18520 462 1 3 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.492 0.008 18520 463 1 3 . 1 1 18 18 ASN H H 18 7.460 7.460 8.178 -0.718 18520 464 1 3 . 1 1 19 19 ILE N N 19 117.600 117.600 118.292 -0.692 18520 465 1 3 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.705 -0.025 18520 466 1 3 . 1 1 19 19 ILE C C 19 173.800 173.800 177.283 -3.483 18520 467 1 3 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.733 -0.833 18520 468 1 3 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.353 -0.553 18520 469 1 3 . 1 1 19 19 ILE H H 19 7.170 7.170 7.186 -0.016 18520 470 1 3 . 1 1 20 20 VAL N N 20 113.300 113.300 113.057 0.243 18520 471 1 3 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.046 -0.106 18520 472 1 3 . 1 1 20 20 VAL C C 20 173.400 173.400 176.155 -2.755 18520 473 1 3 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.139 -0.939 18520 474 1 3 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.322 -0.322 18520 475 1 3 . 1 1 20 20 VAL H H 20 7.210 7.210 7.341 -0.131 18520 476 1 3 . 1 1 21 21 THR N N 21 117.300 117.300 117.937 -0.637 18520 477 1 3 . 1 1 21 21 THR HA H 21 4.320 4.320 4.732 -0.412 18520 478 1 3 . 1 1 21 21 THR C C 21 180.100 180.100 172.509 7.591 18520 479 1 3 . 1 1 21 21 THR CA C 21 58.200 58.200 58.666 -0.466 18520 480 1 3 . 1 1 21 21 THR CB C 21 69.500 69.500 70.420 -0.920 18520 481 1 3 . 1 1 21 21 THR H H 21 7.600 7.600 7.635 -0.035 18520 482 1 3 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.346 -0.106 18520 483 1 3 . 1 1 22 22 PRO C C 22 174.800 174.800 176.637 -1.837 18520 484 1 3 . 1 1 22 22 PRO CA C 22 62.800 62.800 63.796 -0.996 18520 485 1 3 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.085 -0.385 18520 486 1 3 . 1 1 23 23 ARG N N 23 121.500 121.500 120.782 0.718 18520 487 1 3 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.336 -0.176 18520 488 1 3 . 1 1 23 23 ARG C C 23 174.200 174.200 176.046 -1.846 18520 489 1 3 . 1 1 23 23 ARG CA C 23 55.800 55.800 56.087 -0.286 18520 490 1 3 . 1 1 23 23 ARG CB C 23 30.600 30.600 30.452 0.148 18520 491 1 3 . 1 1 23 23 ARG H H 23 8.440 8.440 7.805 0.635 18520 492 1 3 . 1 1 24 24 THR N N 24 118.500 118.500 120.990 -2.490 18520 493 1 3 . 1 1 24 24 THR HA H 24 4.360 4.360 4.331 0.029 18520 494 1 3 . 1 1 24 24 THR C C 24 180.200 180.200 173.289 6.911 18520 495 1 3 . 1 1 24 24 THR CA C 24 59.700 59.700 61.330 -1.630 18520 496 1 3 . 1 1 24 24 THR CB C 24 69.600 69.600 69.071 0.529 18520 497 1 3 . 1 1 24 24 THR H H 24 8.150 8.150 8.194 -0.044 18520 498 1 3 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.584 -0.094 18520 499 1 3 . 1 1 25 25 PRO CA C 25 61.200 61.200 62.032 -0.832 18520 500 1 3 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.151 -0.651 18520 501 1 3 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.361 0.159 18520 502 1 3 . 1 1 26 26 PRO CA C 26 61.100 61.100 62.231 -1.131 18520 503 1 3 . 1 1 26 26 PRO CB C 26 30.500 30.500 30.832 -0.332 18520 504 1 3 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.256 -0.006 18520 505 1 3 . 1 1 27 27 PRO C C 27 175.000 175.000 176.286 -1.286 18520 506 1 3 . 1 1 27 27 PRO CA C 27 62.800 62.800 63.276 -0.476 18520 507 1 3 . 1 1 27 27 PRO CB C 27 31.700 31.700 31.992 -0.292 18520 508 1 3 . 1 1 28 28 SER N N 28 115.800 115.800 115.567 0.233 18520 509 1 3 . 1 1 28 28 SER HA H 28 4.210 4.210 4.662 -0.452 18520 510 1 3 . 1 1 28 28 SER C C 28 172.600 172.600 174.310 -1.710 18520 511 1 3 . 1 1 28 28 SER CA C 28 58.100 58.100 56.894 1.206 18520 512 1 3 . 1 1 28 28 SER CB C 28 63.400 63.400 64.758 -1.358 18520 513 1 3 . 1 1 28 28 SER H H 28 8.300 8.300 8.078 0.222 18520 514 1 3 . 1 1 29 29 GLN N N 29 122.000 122.000 121.651 0.349 18520 515 1 3 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.174 0.006 18520 516 1 3 . 1 1 29 29 GLN C C 29 174.200 174.200 177.249 -3.049 18520 517 1 3 . 1 1 29 29 GLN CA C 29 55.700 55.700 56.681 -0.981 18520 518 1 3 . 1 1 29 29 GLN CB C 29 29.100 29.100 29.513 -0.413 18520 519 1 3 . 1 1 29 29 GLN H H 29 8.360 8.360 8.390 -0.030 18520 520 1 3 . 1 1 30 30 GLY N N 30 109.900 109.900 115.806 -5.906 18520 521 1 3 . 1 1 30 30 GLY C C 30 172.000 172.000 175.790 -3.790 18520 522 1 3 . 1 1 30 30 GLY CA C 30 45.000 45.000 47.223 -2.223 18520 523 1 3 . 1 1 30 30 GLY H H 30 8.310 8.310 8.884 -0.574 18520 524 1 3 . 1 1 31 31 LYS N N 31 120.800 120.800 122.054 -1.254 18520 525 1 3 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.126 0.014 18520 526 1 3 . 1 1 31 31 LYS C C 31 175.100 175.100 179.093 -3.993 18520 527 1 3 . 1 1 31 31 LYS CA C 31 56.100 56.100 59.047 -2.947 18520 528 1 3 . 1 1 31 31 LYS CB C 31 32.700 32.700 32.419 0.281 18520 529 1 3 . 1 1 31 31 LYS H H 31 8.180 8.180 8.638 -0.458 18520 530 1 3 . 1 1 32 32 GLY N N 32 109.900 109.900 105.369 4.531 18520 531 1 3 . 1 1 32 32 GLY C C 32 171.900 171.900 175.322 -3.422 18520 532 1 3 . 1 1 32 32 GLY CA C 32 45.000 45.000 46.011 -1.010 18520 533 1 3 . 1 1 32 32 GLY H H 32 8.390 8.390 8.304 0.086 18520 534 1 3 . 1 1 33 33 ARG N N 33 120.600 120.600 120.719 -0.119 18520 535 1 3 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.229 -0.089 18520 536 1 3 . 1 1 33 33 ARG C C 33 174.800 174.800 177.033 -2.233 18520 537 1 3 . 1 1 33 33 ARG CA C 33 55.900 55.900 56.817 -0.917 18520 538 1 3 . 1 1 33 33 ARG CB C 33 30.300 30.300 31.590 -1.290 18520 539 1 3 . 1 1 33 33 ARG H H 33 8.190 8.190 7.961 0.229 18520 540 1 3 . 1 1 34 34 GLY N N 34 110.000 110.000 106.970 3.030 18520 541 1 3 . 1 1 34 34 GLY C C 34 171.900 171.900 173.892 -1.992 18520 542 1 3 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.597 0.403 18520 543 1 3 . 1 1 34 34 GLY H H 34 8.400 8.400 8.099 0.301 18520 544 1 3 . 1 1 35 35 LEU N N 35 121.800 121.800 120.965 0.835 18520 545 1 3 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.764 -0.534 18520 546 1 3 . 1 1 35 35 LEU C C 35 174.600 174.600 175.607 -1.007 18520 547 1 3 . 1 1 35 35 LEU CA C 35 54.800 54.800 54.067 0.733 18520 548 1 3 . 1 1 35 35 LEU CB C 35 42.200 42.200 43.606 -1.407 18520 549 1 3 . 1 1 35 35 LEU H H 35 8.050 8.050 8.232 -0.182 18520 550 1 4 . 1 1 2 2 GLN N N 2 122.100 122.100 125.511 -3.411 18520 551 1 4 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.260 -0.140 18520 552 1 4 . 1 1 2 2 GLN C C 2 173.600 173.600 175.579 -1.979 18520 553 1 4 . 1 1 2 2 GLN CA C 2 55.700 55.700 55.894 -0.194 18520 554 1 4 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.401 -0.201 18520 555 1 4 . 1 1 2 2 GLN H H 2 8.340 8.340 8.392 -0.052 18520 556 1 4 . 1 1 3 3 HIS N N 3 120.300 120.300 126.427 -6.127 18520 557 1 4 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.494 -0.004 18520 558 1 4 . 1 1 3 3 HIS C C 3 173.400 173.400 175.393 -1.993 18520 559 1 4 . 1 1 3 3 HIS CA C 3 55.700 55.700 57.169 -1.468 18520 560 1 4 . 1 1 3 3 HIS CB C 3 29.800 29.800 31.537 -1.737 18520 561 1 4 . 1 1 3 3 HIS H H 3 8.440 8.440 8.738 -0.298 18520 562 1 4 . 1 1 4 4 GLY N N 4 110.300 110.300 111.902 -1.602 18520 563 1 4 . 1 1 4 4 GLY C C 4 171.900 171.900 173.583 -1.683 18520 564 1 4 . 1 1 4 4 GLY CA C 4 45.000 45.000 44.326 0.674 18520 565 1 4 . 1 1 4 4 GLY H H 4 8.370 8.370 8.051 0.319 18520 566 1 4 . 1 1 5 5 ARG N N 5 120.800 120.800 121.540 -0.740 18520 567 1 4 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.358 -0.118 18520 568 1 4 . 1 1 5 5 ARG C C 5 174.700 174.700 177.130 -2.430 18520 569 1 4 . 1 1 5 5 ARG CA C 5 55.800 55.800 56.990 -1.190 18520 570 1 4 . 1 1 5 5 ARG CB C 5 30.500 30.500 30.558 -0.058 18520 571 1 4 . 1 1 5 5 ARG H H 5 8.240 8.240 8.317 -0.077 18520 572 1 4 . 1 1 6 6 THR N N 6 116.100 116.100 118.713 -2.613 18520 573 1 4 . 1 1 6 6 THR HA H 6 4.120 4.120 4.651 -0.531 18520 574 1 4 . 1 1 6 6 THR C C 6 172.600 172.600 173.655 -1.055 18520 575 1 4 . 1 1 6 6 THR CA C 6 61.900 61.900 61.515 0.385 18520 576 1 4 . 1 1 6 6 THR CB C 6 69.500 69.500 70.726 -1.226 18520 577 1 4 . 1 1 6 6 THR H H 6 8.240 8.240 8.625 -0.385 18520 578 1 4 . 1 1 7 7 GLN N N 7 122.000 122.000 121.144 0.856 18520 579 1 4 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.459 -0.339 18520 580 1 4 . 1 1 7 7 GLN C C 7 173.400 173.400 174.553 -1.153 18520 581 1 4 . 1 1 7 7 GLN CA C 7 55.800 55.800 54.966 0.834 18520 582 1 4 . 1 1 7 7 GLN CB C 7 29.300 29.300 29.748 -0.448 18520 583 1 4 . 1 1 7 7 GLN H H 7 8.390 8.390 8.394 -0.004 18520 584 1 4 . 1 1 8 8 ASP N N 8 121.400 121.400 122.081 -0.681 18520 585 1 4 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.369 0.011 18520 586 1 4 . 1 1 8 8 ASP C C 8 173.700 173.700 175.265 -1.565 18520 587 1 4 . 1 1 8 8 ASP CA C 8 54.300 54.300 55.237 -0.937 18520 588 1 4 . 1 1 8 8 ASP CB C 8 40.800 40.800 40.295 0.505 18520 589 1 4 . 1 1 8 8 ASP H H 8 8.180 8.180 8.737 -0.557 18520 590 1 4 . 1 1 9 9 GLU N N 9 120.600 120.600 118.415 2.185 18520 591 1 4 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.391 -0.251 18520 592 1 4 . 1 1 9 9 GLU C C 9 173.700 173.700 175.093 -1.393 18520 593 1 4 . 1 1 9 9 GLU CA C 9 55.600 55.600 55.547 0.053 18520 594 1 4 . 1 1 9 9 GLU CB C 9 30.800 30.800 31.878 -1.078 18520 595 1 4 . 1 1 9 9 GLU H H 9 8.050 8.050 8.136 -0.086 18520 596 1 4 . 1 1 10 10 ASN N N 10 124.100 124.100 119.403 4.697 18520 597 1 4 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.703 -0.023 18520 598 1 4 . 1 1 10 10 ASN C C 10 172.400 172.400 175.324 -2.924 18520 599 1 4 . 1 1 10 10 ASN CA C 10 51.900 51.900 51.855 0.045 18520 600 1 4 . 1 1 10 10 ASN CB C 10 39.400 39.400 38.109 1.291 18520 601 1 4 . 1 1 10 10 ASN H H 10 8.950 8.950 8.261 0.689 18520 602 1 4 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.423 -0.172 18520 603 1 4 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.248 -0.248 18520 604 1 4 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.162 0.238 18520 605 1 4 . 1 1 12 12 VAL N N 12 119.100 119.100 119.504 -0.404 18520 606 1 4 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.858 -0.258 18520 607 1 4 . 1 1 12 12 VAL C C 12 175.300 175.300 178.363 -3.063 18520 608 1 4 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.941 0.359 18520 609 1 4 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.373 -0.273 18520 610 1 4 . 1 1 12 12 VAL H H 12 8.190 8.190 7.906 0.284 18520 611 1 4 . 1 1 13 13 VAL N N 13 120.000 120.000 120.227 -0.227 18520 612 1 4 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.625 -0.155 18520 613 1 4 . 1 1 13 13 VAL C C 13 175.400 175.400 177.921 -2.521 18520 614 1 4 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.247 0.553 18520 615 1 4 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.424 0.076 18520 616 1 4 . 1 1 13 13 VAL H H 13 7.430 7.430 7.829 -0.399 18520 617 1 4 . 1 1 14 14 HIS N N 14 116.900 116.900 118.986 -2.086 18520 618 1 4 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.174 -0.254 18520 619 1 4 . 1 1 14 14 HIS C C 14 174.400 174.400 177.600 -3.200 18520 620 1 4 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.043 0.657 18520 621 1 4 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.850 -0.550 18520 622 1 4 . 1 1 14 14 HIS H H 14 8.320 8.320 8.257 0.063 18520 623 1 4 . 1 1 15 15 PHE N N 15 118.600 118.600 120.922 -2.322 18520 624 1 4 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.042 -0.072 18520 625 1 4 . 1 1 15 15 PHE C C 15 175.200 175.200 176.923 -1.723 18520 626 1 4 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.256 -0.056 18520 627 1 4 . 1 1 15 15 PHE CB C 15 39.000 39.000 39.042 -0.042 18520 628 1 4 . 1 1 15 15 PHE H H 15 7.770 7.770 8.170 -0.400 18520 629 1 4 . 1 1 16 16 PHE N N 16 116.500 116.500 118.831 -2.331 18520 630 1 4 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.899 0.021 18520 631 1 4 . 1 1 16 16 PHE C C 16 175.500 175.500 177.175 -1.675 18520 632 1 4 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.659 0.041 18520 633 1 4 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.386 -0.186 18520 634 1 4 . 1 1 16 16 PHE H H 16 7.890 7.890 8.233 -0.343 18520 635 1 4 . 1 1 17 17 LYS N N 17 117.900 117.900 117.414 0.486 18520 636 1 4 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.730 -0.030 18520 637 1 4 . 1 1 17 17 LYS C C 17 175.900 175.900 178.702 -2.802 18520 638 1 4 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.567 0.133 18520 639 1 4 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.203 0.097 18520 640 1 4 . 1 1 17 17 LYS H H 17 8.430 8.430 8.424 0.006 18520 641 1 4 . 1 1 18 18 ASN N N 18 115.200 115.200 116.464 -1.264 18520 642 1 4 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.596 -0.326 18520 643 1 4 . 1 1 18 18 ASN C C 18 173.900 173.900 175.854 -1.954 18520 644 1 4 . 1 1 18 18 ASN CA C 18 54.500 54.500 54.769 -0.269 18520 645 1 4 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.234 0.266 18520 646 1 4 . 1 1 18 18 ASN H H 18 7.460 7.460 8.143 -0.683 18520 647 1 4 . 1 1 19 19 ILE N N 19 117.600 117.600 117.661 -0.061 18520 648 1 4 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.849 -0.169 18520 649 1 4 . 1 1 19 19 ILE C C 19 173.800 173.800 177.176 -3.376 18520 650 1 4 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.315 -0.415 18520 651 1 4 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.892 -1.092 18520 652 1 4 . 1 1 19 19 ILE H H 19 7.170 7.170 7.294 -0.124 18520 653 1 4 . 1 1 20 20 VAL N N 20 113.300 113.300 115.214 -1.914 18520 654 1 4 . 1 1 20 20 VAL HA H 20 3.940 3.940 3.967 -0.027 18520 655 1 4 . 1 1 20 20 VAL C C 20 173.400 173.400 176.276 -2.876 18520 656 1 4 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.485 -1.285 18520 657 1 4 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.046 -0.046 18520 658 1 4 . 1 1 20 20 VAL H H 20 7.210 7.210 7.409 -0.199 18520 659 1 4 . 1 1 21 21 THR N N 21 117.300 117.300 111.545 5.755 18520 660 1 4 . 1 1 21 21 THR HA H 21 4.320 4.320 4.774 -0.454 18520 661 1 4 . 1 1 21 21 THR C C 21 180.100 180.100 171.938 8.162 18520 662 1 4 . 1 1 21 21 THR CA C 21 58.200 58.200 58.473 -0.273 18520 663 1 4 . 1 1 21 21 THR CB C 21 69.500 69.500 70.033 -0.533 18520 664 1 4 . 1 1 21 21 THR H H 21 7.600 7.600 7.573 0.027 18520 665 1 4 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.297 -0.057 18520 666 1 4 . 1 1 22 22 PRO C C 22 174.800 174.800 177.069 -2.269 18520 667 1 4 . 1 1 22 22 PRO CA C 22 62.800 62.800 62.821 -0.021 18520 668 1 4 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.186 -0.486 18520 669 1 4 . 1 1 23 23 ARG N N 23 121.500 121.500 120.721 0.779 18520 670 1 4 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.271 -0.111 18520 671 1 4 . 1 1 23 23 ARG C C 23 174.200 174.200 176.629 -2.429 18520 672 1 4 . 1 1 23 23 ARG CA C 23 55.800 55.800 57.159 -1.359 18520 673 1 4 . 1 1 23 23 ARG CB C 23 30.600 30.600 29.979 0.621 18520 674 1 4 . 1 1 23 23 ARG H H 23 8.440 8.440 8.459 -0.019 18520 675 1 4 . 1 1 24 24 THR N N 24 118.500 118.500 121.850 -3.350 18520 676 1 4 . 1 1 24 24 THR HA H 24 4.360 4.360 4.786 -0.426 18520 677 1 4 . 1 1 24 24 THR C C 24 180.200 180.200 172.971 7.229 18520 678 1 4 . 1 1 24 24 THR CA C 24 59.700 59.700 59.702 -0.002 18520 679 1 4 . 1 1 24 24 THR CB C 24 69.600 69.600 69.972 -0.372 18520 680 1 4 . 1 1 24 24 THR H H 24 8.150 8.150 8.909 -0.759 18520 681 1 4 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.500 -0.010 18520 682 1 4 . 1 1 25 25 PRO CA C 25 61.200 61.200 62.049 -0.849 18520 683 1 4 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.139 -0.639 18520 684 1 4 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.689 -0.169 18520 685 1 4 . 1 1 26 26 PRO CA C 26 61.100 61.100 60.807 0.293 18520 686 1 4 . 1 1 26 26 PRO CB C 26 30.500 30.500 31.325 -0.825 18520 687 1 4 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.841 -0.591 18520 688 1 4 . 1 1 27 27 PRO C C 27 175.000 175.000 177.409 -2.409 18520 689 1 4 . 1 1 27 27 PRO CA C 27 62.800 62.800 63.163 -0.363 18520 690 1 4 . 1 1 27 27 PRO CB C 27 31.700 31.700 31.984 -0.284 18520 691 1 4 . 1 1 28 28 SER N N 28 115.800 115.800 117.035 -1.235 18520 692 1 4 . 1 1 28 28 SER HA H 28 4.210 4.210 4.462 -0.252 18520 693 1 4 . 1 1 28 28 SER C C 28 172.600 172.600 174.988 -2.388 18520 694 1 4 . 1 1 28 28 SER CA C 28 58.100 58.100 57.872 0.228 18520 695 1 4 . 1 1 28 28 SER CB C 28 63.400 63.400 63.986 -0.586 18520 696 1 4 . 1 1 28 28 SER H H 28 8.300 8.300 8.536 -0.236 18520 697 1 4 . 1 1 29 29 GLN N N 29 122.000 122.000 120.602 1.398 18520 698 1 4 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.283 -0.103 18520 699 1 4 . 1 1 29 29 GLN C C 29 174.200 174.200 176.949 -2.749 18520 700 1 4 . 1 1 29 29 GLN CA C 29 55.700 55.700 57.104 -1.404 18520 701 1 4 . 1 1 29 29 GLN CB C 29 29.100 29.100 29.155 -0.056 18520 702 1 4 . 1 1 29 29 GLN H H 29 8.360 8.360 8.623 -0.263 18520 703 1 4 . 1 1 30 30 GLY N N 30 109.900 109.900 110.624 -0.724 18520 704 1 4 . 1 1 30 30 GLY C C 30 172.000 172.000 175.025 -3.025 18520 705 1 4 . 1 1 30 30 GLY CA C 30 45.000 45.000 45.242 -0.242 18520 706 1 4 . 1 1 30 30 GLY H H 30 8.310 8.310 8.740 -0.430 18520 707 1 4 . 1 1 31 31 LYS N N 31 120.800 120.800 120.372 0.428 18520 708 1 4 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.539 -0.399 18520 709 1 4 . 1 1 31 31 LYS C C 31 175.100 175.100 177.345 -2.245 18520 710 1 4 . 1 1 31 31 LYS CA C 31 56.100 56.100 55.546 0.554 18520 711 1 4 . 1 1 31 31 LYS CB C 31 32.700 32.700 33.339 -0.639 18520 712 1 4 . 1 1 31 31 LYS H H 31 8.180 8.180 8.015 0.165 18520 713 1 4 . 1 1 32 32 GLY N N 32 109.900 109.900 108.139 1.761 18520 714 1 4 . 1 1 32 32 GLY C C 32 171.900 171.900 175.399 -3.499 18520 715 1 4 . 1 1 32 32 GLY CA C 32 45.000 45.000 45.082 -0.082 18520 716 1 4 . 1 1 32 32 GLY H H 32 8.390 8.390 8.170 0.220 18520 717 1 4 . 1 1 33 33 ARG N N 33 120.600 120.600 122.459 -1.859 18520 718 1 4 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.183 -0.043 18520 719 1 4 . 1 1 33 33 ARG C C 33 174.800 174.800 177.913 -3.113 18520 720 1 4 . 1 1 33 33 ARG CA C 33 55.900 55.900 58.470 -2.570 18520 721 1 4 . 1 1 33 33 ARG CB C 33 30.300 30.300 29.895 0.405 18520 722 1 4 . 1 1 33 33 ARG H H 33 8.190 8.190 8.278 -0.088 18520 723 1 4 . 1 1 34 34 GLY N N 34 110.000 110.000 107.290 2.710 18520 724 1 4 . 1 1 34 34 GLY C C 34 171.900 171.900 175.242 -3.342 18520 725 1 4 . 1 1 34 34 GLY CA C 34 45.000 45.000 46.377 -1.377 18520 726 1 4 . 1 1 34 34 GLY H H 34 8.400 8.400 8.798 -0.398 18520 727 1 4 . 1 1 35 35 LEU N N 35 121.800 121.800 120.975 0.825 18520 728 1 4 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.350 -0.120 18520 729 1 4 . 1 1 35 35 LEU C C 35 174.600 174.600 178.070 -3.470 18520 730 1 4 . 1 1 35 35 LEU CA C 35 54.800 54.800 55.487 -0.687 18520 731 1 4 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.068 0.132 18520 732 1 4 . 1 1 35 35 LEU H H 35 8.050 8.050 7.430 0.620 18520 733 1 5 . 1 1 2 2 GLN N N 2 122.100 122.100 121.915 0.185 18520 734 1 5 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.434 -0.314 18520 735 1 5 . 1 1 2 2 GLN C C 2 173.600 173.600 176.267 -2.667 18520 736 1 5 . 1 1 2 2 GLN CA C 2 55.700 55.700 56.088 -0.388 18520 737 1 5 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.354 -0.153 18520 738 1 5 . 1 1 2 2 GLN H H 2 8.340 8.340 8.203 0.137 18520 739 1 5 . 1 1 3 3 HIS N N 3 120.300 120.300 119.813 0.487 18520 740 1 5 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.728 -0.238 18520 741 1 5 . 1 1 3 3 HIS C C 3 173.400 173.400 175.235 -1.835 18520 742 1 5 . 1 1 3 3 HIS CA C 3 55.700 55.700 55.338 0.362 18520 743 1 5 . 1 1 3 3 HIS CB C 3 29.800 29.800 30.370 -0.570 18520 744 1 5 . 1 1 3 3 HIS H H 3 8.440 8.440 8.444 -0.004 18520 745 1 5 . 1 1 4 4 GLY N N 4 110.300 110.300 109.710 0.590 18520 746 1 5 . 1 1 4 4 GLY C C 4 171.900 171.900 174.805 -2.905 18520 747 1 5 . 1 1 4 4 GLY CA C 4 45.000 45.000 45.416 -0.416 18520 748 1 5 . 1 1 4 4 GLY H H 4 8.370 8.370 8.753 -0.383 18520 749 1 5 . 1 1 5 5 ARG N N 5 120.800 120.800 121.312 -0.512 18520 750 1 5 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.507 -0.267 18520 751 1 5 . 1 1 5 5 ARG C C 5 174.700 174.700 176.085 -1.385 18520 752 1 5 . 1 1 5 5 ARG CA C 5 55.800 55.800 56.125 -0.325 18520 753 1 5 . 1 1 5 5 ARG CB C 5 30.500 30.500 30.759 -0.259 18520 754 1 5 . 1 1 5 5 ARG H H 5 8.240 8.240 8.271 -0.031 18520 755 1 5 . 1 1 6 6 THR N N 6 116.100 116.100 114.599 1.501 18520 756 1 5 . 1 1 6 6 THR HA H 6 4.120 4.120 4.554 -0.434 18520 757 1 5 . 1 1 6 6 THR C C 6 172.600 172.600 173.325 -0.725 18520 758 1 5 . 1 1 6 6 THR CA C 6 61.900 61.900 60.050 1.850 18520 759 1 5 . 1 1 6 6 THR CB C 6 69.500 69.500 70.912 -1.413 18520 760 1 5 . 1 1 6 6 THR H H 6 8.240 8.240 8.340 -0.100 18520 761 1 5 . 1 1 7 7 GLN N N 7 122.000 122.000 120.388 1.612 18520 762 1 5 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.289 -0.169 18520 763 1 5 . 1 1 7 7 GLN C C 7 173.400 173.400 175.106 -1.706 18520 764 1 5 . 1 1 7 7 GLN CA C 7 55.800 55.800 55.694 0.106 18520 765 1 5 . 1 1 7 7 GLN CB C 7 29.300 29.300 29.651 -0.351 18520 766 1 5 . 1 1 7 7 GLN H H 7 8.390 8.390 8.566 -0.176 18520 767 1 5 . 1 1 8 8 ASP N N 8 121.400 121.400 128.550 -7.150 18520 768 1 5 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.669 -0.289 18520 769 1 5 . 1 1 8 8 ASP C C 8 173.700 173.700 176.123 -2.423 18520 770 1 5 . 1 1 8 8 ASP CA C 8 54.300 54.300 53.973 0.327 18520 771 1 5 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.098 -0.298 18520 772 1 5 . 1 1 8 8 ASP H H 8 8.180 8.180 8.679 -0.499 18520 773 1 5 . 1 1 9 9 GLU N N 9 120.600 120.600 125.843 -5.243 18520 774 1 5 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.277 -0.137 18520 775 1 5 . 1 1 9 9 GLU C C 9 173.700 173.700 176.154 -2.454 18520 776 1 5 . 1 1 9 9 GLU CA C 9 55.600 55.600 56.615 -1.015 18520 777 1 5 . 1 1 9 9 GLU CB C 9 30.800 30.800 30.694 0.106 18520 778 1 5 . 1 1 9 9 GLU H H 9 8.050 8.050 8.503 -0.453 18520 779 1 5 . 1 1 10 10 ASN N N 10 124.100 124.100 122.966 1.134 18520 780 1 5 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.923 -0.243 18520 781 1 5 . 1 1 10 10 ASN C C 10 172.400 172.400 175.275 -2.875 18520 782 1 5 . 1 1 10 10 ASN CA C 10 51.900 51.900 50.431 1.469 18520 783 1 5 . 1 1 10 10 ASN CB C 10 39.400 39.400 39.015 0.385 18520 784 1 5 . 1 1 10 10 ASN H H 10 8.950 8.950 8.618 0.332 18520 785 1 5 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.343 -0.093 18520 786 1 5 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.476 -0.476 18520 787 1 5 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.130 0.270 18520 788 1 5 . 1 1 12 12 VAL N N 12 119.100 119.100 117.340 1.760 18520 789 1 5 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.761 -0.161 18520 790 1 5 . 1 1 12 12 VAL C C 12 175.300 175.300 178.026 -2.726 18520 791 1 5 . 1 1 12 12 VAL CA C 12 66.300 66.300 66.681 -0.381 18520 792 1 5 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.659 -0.559 18520 793 1 5 . 1 1 12 12 VAL H H 12 8.190 8.190 8.826 -0.636 18520 794 1 5 . 1 1 13 13 VAL N N 13 120.000 120.000 120.573 -0.573 18520 795 1 5 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.699 -0.229 18520 796 1 5 . 1 1 13 13 VAL C C 13 175.400 175.400 177.831 -2.431 18520 797 1 5 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.393 0.407 18520 798 1 5 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.611 -0.111 18520 799 1 5 . 1 1 13 13 VAL H H 13 7.430 7.430 7.764 -0.334 18520 800 1 5 . 1 1 14 14 HIS N N 14 116.900 116.900 120.616 -3.716 18520 801 1 5 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.273 -0.353 18520 802 1 5 . 1 1 14 14 HIS C C 14 174.400 174.400 176.837 -2.437 18520 803 1 5 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.826 -0.126 18520 804 1 5 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.856 -0.556 18520 805 1 5 . 1 1 14 14 HIS H H 14 8.320 8.320 8.376 -0.056 18520 806 1 5 . 1 1 15 15 PHE N N 15 118.600 118.600 120.462 -1.862 18520 807 1 5 . 1 1 15 15 PHE HA H 15 3.970 3.970 3.949 0.021 18520 808 1 5 . 1 1 15 15 PHE C C 15 175.200 175.200 177.049 -1.849 18520 809 1 5 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.508 -0.308 18520 810 1 5 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.830 0.170 18520 811 1 5 . 1 1 15 15 PHE H H 15 7.770 7.770 8.451 -0.681 18520 812 1 5 . 1 1 16 16 PHE N N 16 116.500 116.500 119.808 -3.308 18520 813 1 5 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.843 0.077 18520 814 1 5 . 1 1 16 16 PHE C C 16 175.500 175.500 177.124 -1.624 18520 815 1 5 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.914 -0.214 18520 816 1 5 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.191 0.010 18520 817 1 5 . 1 1 16 16 PHE H H 16 7.890 7.890 8.479 -0.589 18520 818 1 5 . 1 1 17 17 LYS N N 17 117.900 117.900 118.732 -0.832 18520 819 1 5 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.785 -0.085 18520 820 1 5 . 1 1 17 17 LYS C C 17 175.900 175.900 179.051 -3.151 18520 821 1 5 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.191 0.509 18520 822 1 5 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.239 0.061 18520 823 1 5 . 1 1 17 17 LYS H H 17 8.430 8.430 8.373 0.057 18520 824 1 5 . 1 1 18 18 ASN N N 18 115.200 115.200 117.405 -2.205 18520 825 1 5 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.309 -0.039 18520 826 1 5 . 1 1 18 18 ASN C C 18 173.900 173.900 176.984 -3.084 18520 827 1 5 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.332 -0.832 18520 828 1 5 . 1 1 18 18 ASN CB C 18 38.500 38.500 37.977 0.523 18520 829 1 5 . 1 1 18 18 ASN H H 18 7.460 7.460 7.858 -0.398 18520 830 1 5 . 1 1 19 19 ILE N N 19 117.600 117.600 118.439 -0.839 18520 831 1 5 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.700 -0.020 18520 832 1 5 . 1 1 19 19 ILE C C 19 173.800 173.800 176.767 -2.967 18520 833 1 5 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.723 -0.823 18520 834 1 5 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.195 -0.395 18520 835 1 5 . 1 1 19 19 ILE H H 19 7.170 7.170 7.274 -0.104 18520 836 1 5 . 1 1 20 20 VAL N N 20 113.300 113.300 118.261 -4.961 18520 837 1 5 . 1 1 20 20 VAL HA H 20 3.940 3.940 3.794 0.146 18520 838 1 5 . 1 1 20 20 VAL C C 20 173.400 173.400 176.210 -2.810 18520 839 1 5 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.965 -1.765 18520 840 1 5 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.321 -0.321 18520 841 1 5 . 1 1 20 20 VAL H H 20 7.210 7.210 7.552 -0.342 18520 842 1 5 . 1 1 21 21 THR N N 21 117.300 117.300 117.405 -0.105 18520 843 1 5 . 1 1 21 21 THR HA H 21 4.320 4.320 4.491 -0.171 18520 844 1 5 . 1 1 21 21 THR C C 21 180.100 180.100 172.638 7.462 18520 845 1 5 . 1 1 21 21 THR CA C 21 58.200 58.200 60.561 -2.361 18520 846 1 5 . 1 1 21 21 THR CB C 21 69.500 69.500 69.117 0.383 18520 847 1 5 . 1 1 21 21 THR H H 21 7.600 7.600 7.561 0.039 18520 848 1 5 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.432 -0.192 18520 849 1 5 . 1 1 22 22 PRO C C 22 174.800 174.800 176.867 -2.067 18520 850 1 5 . 1 1 22 22 PRO CA C 22 62.800 62.800 63.253 -0.453 18520 851 1 5 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.392 -0.692 18520 852 1 5 . 1 1 23 23 ARG N N 23 121.500 121.500 118.085 3.415 18520 853 1 5 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.074 0.086 18520 854 1 5 . 1 1 23 23 ARG C C 23 174.200 174.200 175.574 -1.374 18520 855 1 5 . 1 1 23 23 ARG CA C 23 55.800 55.800 56.862 -1.062 18520 856 1 5 . 1 1 23 23 ARG CB C 23 30.600 30.600 28.222 2.378 18520 857 1 5 . 1 1 23 23 ARG H H 23 8.440 8.440 8.607 -0.167 18520 858 1 5 . 1 1 24 24 THR N N 24 118.500 118.500 116.034 2.466 18520 859 1 5 . 1 1 24 24 THR HA H 24 4.360 4.360 4.519 -0.159 18520 860 1 5 . 1 1 24 24 THR C C 24 180.200 180.200 173.456 6.744 18520 861 1 5 . 1 1 24 24 THR CA C 24 59.700 59.700 60.728 -1.028 18520 862 1 5 . 1 1 24 24 THR CB C 24 69.600 69.600 69.590 0.010 18520 863 1 5 . 1 1 24 24 THR H H 24 8.150 8.150 8.211 -0.061 18520 864 1 5 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.701 -0.211 18520 865 1 5 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.271 -0.071 18520 866 1 5 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.152 -0.652 18520 867 1 5 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.320 0.200 18520 868 1 5 . 1 1 26 26 PRO CA C 26 61.100 61.100 62.240 -1.140 18520 869 1 5 . 1 1 26 26 PRO CB C 26 30.500 30.500 31.137 -0.637 18520 870 1 5 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.475 -0.225 18520 871 1 5 . 1 1 27 27 PRO C C 27 175.000 175.000 176.315 -1.315 18520 872 1 5 . 1 1 27 27 PRO CA C 27 62.800 62.800 62.431 0.369 18520 873 1 5 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.293 -0.593 18520 874 1 5 . 1 1 28 28 SER N N 28 115.800 115.800 119.132 -3.332 18520 875 1 5 . 1 1 28 28 SER HA H 28 4.210 4.210 4.617 -0.407 18520 876 1 5 . 1 1 28 28 SER C C 28 172.600 172.600 174.102 -1.502 18520 877 1 5 . 1 1 28 28 SER CA C 28 58.100 58.100 58.339 -0.239 18520 878 1 5 . 1 1 28 28 SER CB C 28 63.400 63.400 64.680 -1.280 18520 879 1 5 . 1 1 28 28 SER H H 28 8.300 8.300 8.942 -0.642 18520 880 1 5 . 1 1 29 29 GLN N N 29 122.000 122.000 120.986 1.014 18520 881 1 5 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.650 -0.470 18520 882 1 5 . 1 1 29 29 GLN C C 29 174.200 174.200 176.660 -2.460 18520 883 1 5 . 1 1 29 29 GLN CA C 29 55.700 55.700 53.714 1.986 18520 884 1 5 . 1 1 29 29 GLN CB C 29 29.100 29.100 32.770 -3.670 18520 885 1 5 . 1 1 29 29 GLN H H 29 8.360 8.360 8.630 -0.270 18520 886 1 5 . 1 1 30 30 GLY N N 30 109.900 109.900 107.550 2.350 18520 887 1 5 . 1 1 30 30 GLY C C 30 172.000 172.000 173.276 -1.276 18520 888 1 5 . 1 1 30 30 GLY CA C 30 45.000 45.000 44.081 0.919 18520 889 1 5 . 1 1 30 30 GLY H H 30 8.310 8.310 8.332 -0.022 18520 890 1 5 . 1 1 31 31 LYS N N 31 120.800 120.800 120.007 0.793 18520 891 1 5 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.233 -0.093 18520 892 1 5 . 1 1 31 31 LYS C C 31 175.100 175.100 176.757 -1.657 18520 893 1 5 . 1 1 31 31 LYS CA C 31 56.100 56.100 57.013 -0.913 18520 894 1 5 . 1 1 31 31 LYS CB C 31 32.700 32.700 32.649 0.051 18520 895 1 5 . 1 1 31 31 LYS H H 31 8.180 8.180 8.241 -0.061 18520 896 1 5 . 1 1 32 32 GLY N N 32 109.900 109.900 112.210 -2.310 18520 897 1 5 . 1 1 32 32 GLY C C 32 171.900 171.900 173.163 -1.263 18520 898 1 5 . 1 1 32 32 GLY CA C 32 45.000 45.000 44.447 0.553 18520 899 1 5 . 1 1 32 32 GLY H H 32 8.390 8.390 8.437 -0.047 18520 900 1 5 . 1 1 33 33 ARG N N 33 120.600 120.600 121.382 -0.782 18520 901 1 5 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.652 -0.512 18520 902 1 5 . 1 1 33 33 ARG C C 33 174.800 174.800 177.264 -2.464 18520 903 1 5 . 1 1 33 33 ARG CA C 33 55.900 55.900 55.409 0.491 18520 904 1 5 . 1 1 33 33 ARG CB C 33 30.300 30.300 32.282 -1.982 18520 905 1 5 . 1 1 33 33 ARG H H 33 8.190 8.190 8.628 -0.438 18520 906 1 5 . 1 1 34 34 GLY N N 34 110.000 110.000 115.317 -5.317 18520 907 1 5 . 1 1 34 34 GLY C C 34 171.900 171.900 174.841 -2.941 18520 908 1 5 . 1 1 34 34 GLY CA C 34 45.000 45.000 47.082 -2.082 18520 909 1 5 . 1 1 34 34 GLY H H 34 8.400 8.400 9.159 -0.759 18520 910 1 5 . 1 1 35 35 LEU N N 35 121.800 121.800 120.640 1.160 18520 911 1 5 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.450 -0.220 18520 912 1 5 . 1 1 35 35 LEU C C 35 174.600 174.600 177.873 -3.273 18520 913 1 5 . 1 1 35 35 LEU CA C 35 54.800 54.800 54.919 -0.119 18520 914 1 5 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.077 0.124 18520 915 1 5 . 1 1 35 35 LEU H H 35 8.050 8.050 7.864 0.186 18520 916 1 6 . 1 1 2 2 GLN N N 2 122.100 122.100 126.058 -3.958 18520 917 1 6 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.346 -0.226 18520 918 1 6 . 1 1 2 2 GLN C C 2 173.600 173.600 175.947 -2.347 18520 919 1 6 . 1 1 2 2 GLN CA C 2 55.700 55.700 55.761 -0.061 18520 920 1 6 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.813 -0.613 18520 921 1 6 . 1 1 2 2 GLN H H 2 8.340 8.340 8.544 -0.204 18520 922 1 6 . 1 1 3 3 HIS N N 3 120.300 120.300 119.594 0.706 18520 923 1 6 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.373 0.117 18520 924 1 6 . 1 1 3 3 HIS C C 3 173.400 173.400 175.139 -1.739 18520 925 1 6 . 1 1 3 3 HIS CA C 3 55.700 55.700 56.237 -0.537 18520 926 1 6 . 1 1 3 3 HIS CB C 3 29.800 29.800 30.732 -0.932 18520 927 1 6 . 1 1 3 3 HIS H H 3 8.440 8.440 8.245 0.195 18520 928 1 6 . 1 1 4 4 GLY N N 4 110.300 110.300 107.239 3.061 18520 929 1 6 . 1 1 4 4 GLY C C 4 171.900 171.900 172.770 -0.870 18520 930 1 6 . 1 1 4 4 GLY CA C 4 45.000 45.000 44.266 0.734 18520 931 1 6 . 1 1 4 4 GLY H H 4 8.370 8.370 8.719 -0.349 18520 932 1 6 . 1 1 5 5 ARG N N 5 120.800 120.800 119.572 1.228 18520 933 1 6 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.541 -0.301 18520 934 1 6 . 1 1 5 5 ARG C C 5 174.700 174.700 177.468 -2.768 18520 935 1 6 . 1 1 5 5 ARG CA C 5 55.800 55.800 55.735 0.065 18520 936 1 6 . 1 1 5 5 ARG CB C 5 30.500 30.500 31.480 -0.980 18520 937 1 6 . 1 1 5 5 ARG H H 5 8.240 8.240 8.668 -0.428 18520 938 1 6 . 1 1 6 6 THR N N 6 116.100 116.100 122.845 -6.745 18520 939 1 6 . 1 1 6 6 THR HA H 6 4.120 4.120 4.168 -0.048 18520 940 1 6 . 1 1 6 6 THR C C 6 172.600 172.600 176.841 -4.241 18520 941 1 6 . 1 1 6 6 THR CA C 6 61.900 61.900 66.156 -4.256 18520 942 1 6 . 1 1 6 6 THR CB C 6 69.500 69.500 68.908 0.592 18520 943 1 6 . 1 1 6 6 THR H H 6 8.240 8.240 8.767 -0.527 18520 944 1 6 . 1 1 7 7 GLN N N 7 122.000 122.000 120.808 1.192 18520 945 1 6 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.207 -0.087 18520 946 1 6 . 1 1 7 7 GLN C C 7 173.400 173.400 176.549 -3.149 18520 947 1 6 . 1 1 7 7 GLN CA C 7 55.800 55.800 58.477 -2.677 18520 948 1 6 . 1 1 7 7 GLN CB C 7 29.300 29.300 28.121 1.179 18520 949 1 6 . 1 1 7 7 GLN H H 7 8.390 8.390 8.426 -0.036 18520 950 1 6 . 1 1 8 8 ASP N N 8 121.400 121.400 117.026 4.374 18520 951 1 6 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.609 -0.229 18520 952 1 6 . 1 1 8 8 ASP C C 8 173.700 173.700 176.656 -2.956 18520 953 1 6 . 1 1 8 8 ASP CA C 8 54.300 54.300 55.927 -1.627 18520 954 1 6 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.386 -0.586 18520 955 1 6 . 1 1 8 8 ASP H H 8 8.180 8.180 7.917 0.263 18520 956 1 6 . 1 1 9 9 GLU N N 9 120.600 120.600 118.464 2.136 18520 957 1 6 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.498 -0.358 18520 958 1 6 . 1 1 9 9 GLU C C 9 173.700 173.700 175.218 -1.518 18520 959 1 6 . 1 1 9 9 GLU CA C 9 55.600 55.600 54.980 0.620 18520 960 1 6 . 1 1 9 9 GLU CB C 9 30.800 30.800 32.714 -1.914 18520 961 1 6 . 1 1 9 9 GLU H H 9 8.050 8.050 8.220 -0.170 18520 962 1 6 . 1 1 10 10 ASN N N 10 124.100 124.100 120.986 3.114 18520 963 1 6 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.786 -0.106 18520 964 1 6 . 1 1 10 10 ASN C C 10 172.400 172.400 175.451 -3.051 18520 965 1 6 . 1 1 10 10 ASN CA C 10 51.900 51.900 52.142 -0.242 18520 966 1 6 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.872 1.528 18520 967 1 6 . 1 1 10 10 ASN H H 10 8.950 8.950 8.642 0.308 18520 968 1 6 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.577 -0.327 18520 969 1 6 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.522 -0.522 18520 970 1 6 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.081 0.319 18520 971 1 6 . 1 1 12 12 VAL N N 12 119.100 119.100 119.458 -0.358 18520 972 1 6 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.852 -0.252 18520 973 1 6 . 1 1 12 12 VAL C C 12 175.300 175.300 178.406 -3.106 18520 974 1 6 . 1 1 12 12 VAL CA C 12 66.300 66.300 66.025 0.275 18520 975 1 6 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.355 -0.254 18520 976 1 6 . 1 1 12 12 VAL H H 12 8.190 8.190 7.975 0.215 18520 977 1 6 . 1 1 13 13 VAL N N 13 120.000 120.000 120.366 -0.366 18520 978 1 6 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.632 -0.162 18520 979 1 6 . 1 1 13 13 VAL C C 13 175.400 175.400 178.083 -2.683 18520 980 1 6 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.066 0.734 18520 981 1 6 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.301 0.199 18520 982 1 6 . 1 1 13 13 VAL H H 13 7.430 7.430 7.860 -0.430 18520 983 1 6 . 1 1 14 14 HIS N N 14 116.900 116.900 118.320 -1.420 18520 984 1 6 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.347 -0.427 18520 985 1 6 . 1 1 14 14 HIS C C 14 174.400 174.400 177.710 -3.310 18520 986 1 6 . 1 1 14 14 HIS CA C 14 59.700 59.700 58.903 0.797 18520 987 1 6 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.410 -0.110 18520 988 1 6 . 1 1 14 14 HIS H H 14 8.320 8.320 8.051 0.269 18520 989 1 6 . 1 1 15 15 PHE N N 15 118.600 118.600 121.854 -3.254 18520 990 1 6 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.079 -0.109 18520 991 1 6 . 1 1 15 15 PHE C C 15 175.200 175.200 176.895 -1.695 18520 992 1 6 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.324 -0.124 18520 993 1 6 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.680 0.320 18520 994 1 6 . 1 1 15 15 PHE H H 15 7.770 7.770 8.299 -0.529 18520 995 1 6 . 1 1 16 16 PHE N N 16 116.500 116.500 119.119 -2.619 18520 996 1 6 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.849 0.071 18520 997 1 6 . 1 1 16 16 PHE C C 16 175.500 175.500 177.145 -1.645 18520 998 1 6 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.714 -0.014 18520 999 1 6 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.290 -0.090 18520 1000 1 6 . 1 1 16 16 PHE H H 16 7.890 7.890 8.059 -0.169 18520 1001 1 6 . 1 1 17 17 LYS N N 17 117.900 117.900 118.059 -0.159 18520 1002 1 6 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.804 -0.104 18520 1003 1 6 . 1 1 17 17 LYS C C 17 175.900 175.900 178.773 -2.873 18520 1004 1 6 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.482 0.218 18520 1005 1 6 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.278 0.022 18520 1006 1 6 . 1 1 17 17 LYS H H 17 8.430 8.430 8.089 0.341 18520 1007 1 6 . 1 1 18 18 ASN N N 18 115.200 115.200 116.464 -1.264 18520 1008 1 6 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.582 -0.312 18520 1009 1 6 . 1 1 18 18 ASN C C 18 173.900 173.900 176.089 -2.189 18520 1010 1 6 . 1 1 18 18 ASN CA C 18 54.500 54.500 54.845 -0.345 18520 1011 1 6 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.276 0.224 18520 1012 1 6 . 1 1 18 18 ASN H H 18 7.460 7.460 8.119 -0.659 18520 1013 1 6 . 1 1 19 19 ILE N N 19 117.600 117.600 117.975 -0.375 18520 1014 1 6 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.813 -0.133 18520 1015 1 6 . 1 1 19 19 ILE C C 19 173.800 173.800 177.210 -3.410 18520 1016 1 6 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.536 -0.636 18520 1017 1 6 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.642 -0.842 18520 1018 1 6 . 1 1 19 19 ILE H H 19 7.170 7.170 7.287 -0.117 18520 1019 1 6 . 1 1 20 20 VAL N N 20 113.300 113.300 113.677 -0.377 18520 1020 1 6 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.042 -0.102 18520 1021 1 6 . 1 1 20 20 VAL C C 20 173.400 173.400 176.173 -2.773 18520 1022 1 6 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.252 -1.052 18520 1023 1 6 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.225 -0.225 18520 1024 1 6 . 1 1 20 20 VAL H H 20 7.210 7.210 7.315 -0.105 18520 1025 1 6 . 1 1 21 21 THR N N 21 117.300 117.300 118.467 -1.167 18520 1026 1 6 . 1 1 21 21 THR HA H 21 4.320 4.320 4.765 -0.445 18520 1027 1 6 . 1 1 21 21 THR C C 21 180.100 180.100 172.230 7.870 18520 1028 1 6 . 1 1 21 21 THR CA C 21 58.200 58.200 59.174 -0.974 18520 1029 1 6 . 1 1 21 21 THR CB C 21 69.500 69.500 70.215 -0.715 18520 1030 1 6 . 1 1 21 21 THR H H 21 7.600 7.600 7.789 -0.189 18520 1031 1 6 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.497 -0.257 18520 1032 1 6 . 1 1 22 22 PRO C C 22 174.800 174.800 176.967 -2.167 18520 1033 1 6 . 1 1 22 22 PRO CA C 22 62.800 62.800 62.473 0.327 18520 1034 1 6 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.481 -0.781 18520 1035 1 6 . 1 1 23 23 ARG N N 23 121.500 121.500 119.869 1.631 18520 1036 1 6 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.279 -0.119 18520 1037 1 6 . 1 1 23 23 ARG C C 23 174.200 174.200 176.466 -2.266 18520 1038 1 6 . 1 1 23 23 ARG CA C 23 55.800 55.800 57.559 -1.759 18520 1039 1 6 . 1 1 23 23 ARG CB C 23 30.600 30.600 29.772 0.828 18520 1040 1 6 . 1 1 23 23 ARG H H 23 8.440 8.440 8.609 -0.169 18520 1041 1 6 . 1 1 24 24 THR N N 24 118.500 118.500 116.532 1.968 18520 1042 1 6 . 1 1 24 24 THR HA H 24 4.360 4.360 4.630 -0.270 18520 1043 1 6 . 1 1 24 24 THR C C 24 180.200 180.200 172.042 8.158 18520 1044 1 6 . 1 1 24 24 THR CA C 24 59.700 59.700 58.005 1.695 18520 1045 1 6 . 1 1 24 24 THR CB C 24 69.600 69.600 70.061 -0.461 18520 1046 1 6 . 1 1 24 24 THR H H 24 8.150 8.150 8.132 0.018 18520 1047 1 6 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.377 0.113 18520 1048 1 6 . 1 1 25 25 PRO CA C 25 61.200 61.200 62.088 -0.888 18520 1049 1 6 . 1 1 25 25 PRO CB C 25 30.500 30.500 30.730 -0.230 18520 1050 1 6 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.583 -0.063 18520 1051 1 6 . 1 1 26 26 PRO CA C 26 61.100 61.100 61.178 -0.079 18520 1052 1 6 . 1 1 26 26 PRO CB C 26 30.500 30.500 31.466 -0.966 18520 1053 1 6 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.525 -0.275 18520 1054 1 6 . 1 1 27 27 PRO C C 27 175.000 175.000 177.081 -2.081 18520 1055 1 6 . 1 1 27 27 PRO CA C 27 62.800 62.800 62.394 0.406 18520 1056 1 6 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.622 -0.922 18520 1057 1 6 . 1 1 28 28 SER N N 28 115.800 115.800 115.503 0.297 18520 1058 1 6 . 1 1 28 28 SER HA H 28 4.210 4.210 4.294 -0.084 18520 1059 1 6 . 1 1 28 28 SER C C 28 172.600 172.600 175.185 -2.585 18520 1060 1 6 . 1 1 28 28 SER CA C 28 58.100 58.100 58.018 0.082 18520 1061 1 6 . 1 1 28 28 SER CB C 28 63.400 63.400 63.908 -0.508 18520 1062 1 6 . 1 1 28 28 SER H H 28 8.300 8.300 8.407 -0.107 18520 1063 1 6 . 1 1 29 29 GLN N N 29 122.000 122.000 124.023 -2.023 18520 1064 1 6 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.152 0.028 18520 1065 1 6 . 1 1 29 29 GLN C C 29 174.200 174.200 176.419 -2.219 18520 1066 1 6 . 1 1 29 29 GLN CA C 29 55.700 55.700 56.636 -0.936 18520 1067 1 6 . 1 1 29 29 GLN CB C 29 29.100 29.100 29.176 -0.076 18520 1068 1 6 . 1 1 29 29 GLN H H 29 8.360 8.360 8.468 -0.108 18520 1069 1 6 . 1 1 30 30 GLY N N 30 109.900 109.900 115.155 -5.255 18520 1070 1 6 . 1 1 30 30 GLY C C 30 172.000 172.000 174.313 -2.313 18520 1071 1 6 . 1 1 30 30 GLY CA C 30 45.000 45.000 45.366 -0.366 18520 1072 1 6 . 1 1 30 30 GLY H H 30 8.310 8.310 8.717 -0.407 18520 1073 1 6 . 1 1 31 31 LYS N N 31 120.800 120.800 120.940 -0.140 18520 1074 1 6 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.484 -0.344 18520 1075 1 6 . 1 1 31 31 LYS C C 31 175.100 175.100 177.177 -2.077 18520 1076 1 6 . 1 1 31 31 LYS CA C 31 56.100 56.100 55.184 0.915 18520 1077 1 6 . 1 1 31 31 LYS CB C 31 32.700 32.700 33.707 -1.007 18520 1078 1 6 . 1 1 31 31 LYS H H 31 8.180 8.180 7.955 0.225 18520 1079 1 6 . 1 1 32 32 GLY N N 32 109.900 109.900 108.389 1.511 18520 1080 1 6 . 1 1 32 32 GLY C C 32 171.900 171.900 174.276 -2.376 18520 1081 1 6 . 1 1 32 32 GLY CA C 32 45.000 45.000 43.860 1.140 18520 1082 1 6 . 1 1 32 32 GLY H H 32 8.390 8.390 8.442 -0.052 18520 1083 1 6 . 1 1 33 33 ARG N N 33 120.600 120.600 120.056 0.544 18520 1084 1 6 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.320 -0.180 18520 1085 1 6 . 1 1 33 33 ARG C C 33 174.800 174.800 176.390 -1.590 18520 1086 1 6 . 1 1 33 33 ARG CA C 33 55.900 55.900 56.535 -0.635 18520 1087 1 6 . 1 1 33 33 ARG CB C 33 30.300 30.300 30.548 -0.248 18520 1088 1 6 . 1 1 33 33 ARG H H 33 8.190 8.190 8.537 -0.347 18520 1089 1 6 . 1 1 34 34 GLY N N 34 110.000 110.000 106.560 3.440 18520 1090 1 6 . 1 1 34 34 GLY C C 34 171.900 171.900 174.013 -2.113 18520 1091 1 6 . 1 1 34 34 GLY CA C 34 45.000 45.000 45.228 -0.228 18520 1092 1 6 . 1 1 34 34 GLY H H 34 8.400 8.400 8.287 0.113 18520 1093 1 6 . 1 1 35 35 LEU N N 35 121.800 121.800 119.136 2.664 18520 1094 1 6 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.583 -0.353 18520 1095 1 6 . 1 1 35 35 LEU C C 35 174.600 174.600 176.878 -2.278 18520 1096 1 6 . 1 1 35 35 LEU CA C 35 54.800 54.800 54.139 0.660 18520 1097 1 6 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.883 -0.683 18520 1098 1 6 . 1 1 35 35 LEU H H 35 8.050 8.050 7.965 0.085 18520 1099 1 7 . 1 1 2 2 GLN N N 2 122.100 122.100 126.178 -4.078 18520 1100 1 7 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.290 -0.170 18520 1101 1 7 . 1 1 2 2 GLN C C 2 173.600 173.600 174.846 -1.246 18520 1102 1 7 . 1 1 2 2 GLN CA C 2 55.700 55.700 55.056 0.644 18520 1103 1 7 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.636 -0.436 18520 1104 1 7 . 1 1 2 2 GLN H H 2 8.340 8.340 8.401 -0.061 18520 1105 1 7 . 1 1 3 3 HIS N N 3 120.300 120.300 124.671 -4.371 18520 1106 1 7 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.710 -0.220 18520 1107 1 7 . 1 1 3 3 HIS C C 3 173.400 173.400 175.298 -1.898 18520 1108 1 7 . 1 1 3 3 HIS CA C 3 55.700 55.700 55.059 0.641 18520 1109 1 7 . 1 1 3 3 HIS CB C 3 29.800 29.800 33.065 -3.265 18520 1110 1 7 . 1 1 3 3 HIS H H 3 8.440 8.440 8.396 0.044 18520 1111 1 7 . 1 1 4 4 GLY N N 4 110.300 110.300 107.931 2.369 18520 1112 1 7 . 1 1 4 4 GLY C C 4 171.900 171.900 174.824 -2.924 18520 1113 1 7 . 1 1 4 4 GLY CA C 4 45.000 45.000 44.635 0.365 18520 1114 1 7 . 1 1 4 4 GLY H H 4 8.370 8.370 8.668 -0.298 18520 1115 1 7 . 1 1 5 5 ARG N N 5 120.800 120.800 120.228 0.572 18520 1116 1 7 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.200 0.040 18520 1117 1 7 . 1 1 5 5 ARG C C 5 174.700 174.700 177.174 -2.474 18520 1118 1 7 . 1 1 5 5 ARG CA C 5 55.800 55.800 58.267 -2.467 18520 1119 1 7 . 1 1 5 5 ARG CB C 5 30.500 30.500 30.388 0.112 18520 1120 1 7 . 1 1 5 5 ARG H H 5 8.240 8.240 8.689 -0.449 18520 1121 1 7 . 1 1 6 6 THR N N 6 116.100 116.100 107.879 8.221 18520 1122 1 7 . 1 1 6 6 THR HA H 6 4.120 4.120 4.360 -0.240 18520 1123 1 7 . 1 1 6 6 THR C C 6 172.600 172.600 175.020 -2.420 18520 1124 1 7 . 1 1 6 6 THR CA C 6 61.900 61.900 62.601 -0.701 18520 1125 1 7 . 1 1 6 6 THR CB C 6 69.500 69.500 69.447 0.053 18520 1126 1 7 . 1 1 6 6 THR H H 6 8.240 8.240 7.747 0.493 18520 1127 1 7 . 1 1 7 7 GLN N N 7 122.000 122.000 118.238 3.762 18520 1128 1 7 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.476 -0.356 18520 1129 1 7 . 1 1 7 7 GLN C C 7 173.400 173.400 175.058 -1.658 18520 1130 1 7 . 1 1 7 7 GLN CA C 7 55.800 55.800 55.424 0.376 18520 1131 1 7 . 1 1 7 7 GLN CB C 7 29.300 29.300 28.734 0.566 18520 1132 1 7 . 1 1 7 7 GLN H H 7 8.390 8.390 7.939 0.451 18520 1133 1 7 . 1 1 8 8 ASP N N 8 121.400 121.400 121.208 0.192 18520 1134 1 7 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.404 -0.024 18520 1135 1 7 . 1 1 8 8 ASP C C 8 173.700 173.700 176.033 -2.333 18520 1136 1 7 . 1 1 8 8 ASP CA C 8 54.300 54.300 54.548 -0.249 18520 1137 1 7 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.017 -0.217 18520 1138 1 7 . 1 1 8 8 ASP H H 8 8.180 8.180 7.582 0.598 18520 1139 1 7 . 1 1 9 9 GLU N N 9 120.600 120.600 124.298 -3.698 18520 1140 1 7 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.109 0.031 18520 1141 1 7 . 1 1 9 9 GLU C C 9 173.700 173.700 176.014 -2.314 18520 1142 1 7 . 1 1 9 9 GLU CA C 9 55.600 55.600 56.284 -0.684 18520 1143 1 7 . 1 1 9 9 GLU CB C 9 30.800 30.800 30.633 0.167 18520 1144 1 7 . 1 1 9 9 GLU H H 9 8.050 8.050 8.327 -0.277 18520 1145 1 7 . 1 1 10 10 ASN N N 10 124.100 124.100 122.431 1.669 18520 1146 1 7 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.657 0.023 18520 1147 1 7 . 1 1 10 10 ASN C C 10 172.400 172.400 175.253 -2.853 18520 1148 1 7 . 1 1 10 10 ASN CA C 10 51.900 51.900 52.350 -0.450 18520 1149 1 7 . 1 1 10 10 ASN CB C 10 39.400 39.400 38.429 0.971 18520 1150 1 7 . 1 1 10 10 ASN H H 10 8.950 8.950 8.516 0.434 18520 1151 1 7 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.265 -0.015 18520 1152 1 7 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.592 -0.592 18520 1153 1 7 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.070 0.330 18520 1154 1 7 . 1 1 12 12 VAL N N 12 119.100 119.100 118.265 0.835 18520 1155 1 7 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.767 -0.167 18520 1156 1 7 . 1 1 12 12 VAL C C 12 175.300 175.300 178.085 -2.785 18520 1157 1 7 . 1 1 12 12 VAL CA C 12 66.300 66.300 66.939 -0.638 18520 1158 1 7 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.600 -0.500 18520 1159 1 7 . 1 1 12 12 VAL H H 12 8.190 8.190 8.556 -0.366 18520 1160 1 7 . 1 1 13 13 VAL N N 13 120.000 120.000 120.111 -0.111 18520 1161 1 7 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.743 -0.273 18520 1162 1 7 . 1 1 13 13 VAL C C 13 175.400 175.400 178.074 -2.674 18520 1163 1 7 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.278 0.521 18520 1164 1 7 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.483 0.017 18520 1165 1 7 . 1 1 13 13 VAL H H 13 7.430 7.430 7.842 -0.412 18520 1166 1 7 . 1 1 14 14 HIS N N 14 116.900 116.900 120.271 -3.371 18520 1167 1 7 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.301 -0.381 18520 1168 1 7 . 1 1 14 14 HIS C C 14 174.400 174.400 177.091 -2.691 18520 1169 1 7 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.780 -0.080 18520 1170 1 7 . 1 1 14 14 HIS CB C 14 29.300 29.300 30.008 -0.708 18520 1171 1 7 . 1 1 14 14 HIS H H 14 8.320 8.320 8.858 -0.538 18520 1172 1 7 . 1 1 15 15 PHE N N 15 118.600 118.600 120.795 -2.195 18520 1173 1 7 . 1 1 15 15 PHE HA H 15 3.970 3.970 3.987 -0.017 18520 1174 1 7 . 1 1 15 15 PHE C C 15 175.200 175.200 177.044 -1.844 18520 1175 1 7 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.511 -0.311 18520 1176 1 7 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.822 0.178 18520 1177 1 7 . 1 1 15 15 PHE H H 15 7.770 7.770 8.375 -0.605 18520 1178 1 7 . 1 1 16 16 PHE N N 16 116.500 116.500 119.566 -3.066 18520 1179 1 7 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.827 0.093 18520 1180 1 7 . 1 1 16 16 PHE C C 16 175.500 175.500 177.008 -1.508 18520 1181 1 7 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.752 -0.052 18520 1182 1 7 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.193 0.007 18520 1183 1 7 . 1 1 16 16 PHE H H 16 7.890 7.890 8.301 -0.411 18520 1184 1 7 . 1 1 17 17 LYS N N 17 117.900 117.900 118.465 -0.565 18520 1185 1 7 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.688 0.012 18520 1186 1 7 . 1 1 17 17 LYS C C 17 175.900 175.900 178.877 -2.977 18520 1187 1 7 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.592 0.108 18520 1188 1 7 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.092 0.208 18520 1189 1 7 . 1 1 17 17 LYS H H 17 8.430 8.430 8.221 0.209 18520 1190 1 7 . 1 1 18 18 ASN N N 18 115.200 115.200 117.123 -1.923 18520 1191 1 7 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.289 -0.019 18520 1192 1 7 . 1 1 18 18 ASN C C 18 173.900 173.900 177.149 -3.249 18520 1193 1 7 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.676 -1.177 18520 1194 1 7 . 1 1 18 18 ASN CB C 18 38.500 38.500 37.991 0.509 18520 1195 1 7 . 1 1 18 18 ASN H H 18 7.460 7.460 7.928 -0.468 18520 1196 1 7 . 1 1 19 19 ILE N N 19 117.600 117.600 118.786 -1.186 18520 1197 1 7 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.650 0.030 18520 1198 1 7 . 1 1 19 19 ILE C C 19 173.800 173.800 177.328 -3.528 18520 1199 1 7 . 1 1 19 19 ILE CA C 19 62.900 62.900 64.079 -1.179 18520 1200 1 7 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.066 -0.266 18520 1201 1 7 . 1 1 19 19 ILE H H 19 7.170 7.170 7.132 0.038 18520 1202 1 7 . 1 1 20 20 VAL N N 20 113.300 113.300 113.033 0.267 18520 1203 1 7 . 1 1 20 20 VAL HA H 20 3.940 3.940 3.998 -0.058 18520 1204 1 7 . 1 1 20 20 VAL C C 20 173.400 173.400 176.257 -2.857 18520 1205 1 7 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.438 -1.238 18520 1206 1 7 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.465 -0.465 18520 1207 1 7 . 1 1 20 20 VAL H H 20 7.210 7.210 7.326 -0.116 18520 1208 1 7 . 1 1 21 21 THR N N 21 117.300 117.300 117.884 -0.584 18520 1209 1 7 . 1 1 21 21 THR HA H 21 4.320 4.320 4.679 -0.359 18520 1210 1 7 . 1 1 21 21 THR C C 21 180.100 180.100 172.513 7.587 18520 1211 1 7 . 1 1 21 21 THR CA C 21 58.200 58.200 58.907 -0.707 18520 1212 1 7 . 1 1 21 21 THR CB C 21 69.500 69.500 69.413 0.087 18520 1213 1 7 . 1 1 21 21 THR H H 21 7.600 7.600 7.766 -0.166 18520 1214 1 7 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.261 -0.021 18520 1215 1 7 . 1 1 22 22 PRO C C 22 174.800 174.800 177.213 -2.413 18520 1216 1 7 . 1 1 22 22 PRO CA C 22 62.800 62.800 64.604 -1.804 18520 1217 1 7 . 1 1 22 22 PRO CB C 22 31.700 31.700 31.961 -0.261 18520 1218 1 7 . 1 1 23 23 ARG N N 23 121.500 121.500 115.661 5.839 18520 1219 1 7 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.593 -0.433 18520 1220 1 7 . 1 1 23 23 ARG C C 23 174.200 174.200 175.872 -1.672 18520 1221 1 7 . 1 1 23 23 ARG CA C 23 55.800 55.800 55.045 0.755 18520 1222 1 7 . 1 1 23 23 ARG CB C 23 30.600 30.600 29.704 0.896 18520 1223 1 7 . 1 1 23 23 ARG H H 23 8.440 8.440 7.930 0.510 18520 1224 1 7 . 1 1 24 24 THR N N 24 118.500 118.500 118.113 0.387 18520 1225 1 7 . 1 1 24 24 THR HA H 24 4.360 4.360 4.344 0.016 18520 1226 1 7 . 1 1 24 24 THR C C 24 180.200 180.200 173.735 6.465 18520 1227 1 7 . 1 1 24 24 THR CA C 24 59.700 59.700 60.818 -1.118 18520 1228 1 7 . 1 1 24 24 THR CB C 24 69.600 69.600 69.806 -0.206 18520 1229 1 7 . 1 1 24 24 THR H H 24 8.150 8.150 7.472 0.678 18520 1230 1 7 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.715 -0.225 18520 1231 1 7 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.506 -0.306 18520 1232 1 7 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.235 -0.735 18520 1233 1 7 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.590 -0.070 18520 1234 1 7 . 1 1 26 26 PRO CA C 26 61.100 61.100 61.231 -0.132 18520 1235 1 7 . 1 1 26 26 PRO CB C 26 30.500 30.500 30.841 -0.341 18520 1236 1 7 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.275 -0.025 18520 1237 1 7 . 1 1 27 27 PRO C C 27 175.000 175.000 176.874 -1.874 18520 1238 1 7 . 1 1 27 27 PRO CA C 27 62.800 62.800 63.319 -0.519 18520 1239 1 7 . 1 1 27 27 PRO CB C 27 31.700 31.700 31.571 0.129 18520 1240 1 7 . 1 1 28 28 SER N N 28 115.800 115.800 118.326 -2.526 18520 1241 1 7 . 1 1 28 28 SER HA H 28 4.210 4.210 4.556 -0.346 18520 1242 1 7 . 1 1 28 28 SER C C 28 172.600 172.600 174.407 -1.807 18520 1243 1 7 . 1 1 28 28 SER CA C 28 58.100 58.100 58.947 -0.847 18520 1244 1 7 . 1 1 28 28 SER CB C 28 63.400 63.400 64.166 -0.766 18520 1245 1 7 . 1 1 28 28 SER H H 28 8.300 8.300 8.041 0.259 18520 1246 1 7 . 1 1 29 29 GLN N N 29 122.000 122.000 123.020 -1.020 18520 1247 1 7 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.562 -0.382 18520 1248 1 7 . 1 1 29 29 GLN C C 29 174.200 174.200 175.767 -1.567 18520 1249 1 7 . 1 1 29 29 GLN CA C 29 55.700 55.700 55.757 -0.056 18520 1250 1 7 . 1 1 29 29 GLN CB C 29 29.100 29.100 30.710 -1.610 18520 1251 1 7 . 1 1 29 29 GLN H H 29 8.360 8.360 8.512 -0.152 18520 1252 1 7 . 1 1 30 30 GLY N N 30 109.900 109.900 109.044 0.856 18520 1253 1 7 . 1 1 30 30 GLY C C 30 172.000 172.000 174.429 -2.429 18520 1254 1 7 . 1 1 30 30 GLY CA C 30 45.000 45.000 43.720 1.280 18520 1255 1 7 . 1 1 30 30 GLY H H 30 8.310 8.310 8.512 -0.202 18520 1256 1 7 . 1 1 31 31 LYS N N 31 120.800 120.800 119.875 0.925 18520 1257 1 7 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.257 -0.117 18520 1258 1 7 . 1 1 31 31 LYS C C 31 175.100 175.100 177.088 -1.988 18520 1259 1 7 . 1 1 31 31 LYS CA C 31 56.100 56.100 56.718 -0.618 18520 1260 1 7 . 1 1 31 31 LYS CB C 31 32.700 32.700 32.350 0.350 18520 1261 1 7 . 1 1 31 31 LYS H H 31 8.180 8.180 8.496 -0.316 18520 1262 1 7 . 1 1 32 32 GLY N N 32 109.900 109.900 109.041 0.859 18520 1263 1 7 . 1 1 32 32 GLY C C 32 171.900 171.900 173.787 -1.887 18520 1264 1 7 . 1 1 32 32 GLY CA C 32 45.000 45.000 44.295 0.705 18520 1265 1 7 . 1 1 32 32 GLY H H 32 8.390 8.390 7.693 0.697 18520 1266 1 7 . 1 1 33 33 ARG N N 33 120.600 120.600 119.146 1.454 18520 1267 1 7 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.335 -0.195 18520 1268 1 7 . 1 1 33 33 ARG C C 33 174.800 174.800 177.860 -3.060 18520 1269 1 7 . 1 1 33 33 ARG CA C 33 55.900 55.900 56.067 -0.167 18520 1270 1 7 . 1 1 33 33 ARG CB C 33 30.300 30.300 30.936 -0.636 18520 1271 1 7 . 1 1 33 33 ARG H H 33 8.190 8.190 8.250 -0.060 18520 1272 1 7 . 1 1 34 34 GLY N N 34 110.000 110.000 109.975 0.025 18520 1273 1 7 . 1 1 34 34 GLY C C 34 171.900 171.900 174.561 -2.661 18520 1274 1 7 . 1 1 34 34 GLY CA C 34 45.000 45.000 46.640 -1.640 18520 1275 1 7 . 1 1 34 34 GLY H H 34 8.400 8.400 8.889 -0.489 18520 1276 1 7 . 1 1 35 35 LEU N N 35 121.800 121.800 119.233 2.567 18520 1277 1 7 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.487 -0.257 18520 1278 1 7 . 1 1 35 35 LEU C C 35 174.600 174.600 177.412 -2.812 18520 1279 1 7 . 1 1 35 35 LEU CA C 35 54.800 54.800 53.849 0.951 18520 1280 1 7 . 1 1 35 35 LEU CB C 35 42.200 42.200 41.856 0.344 18520 1281 1 7 . 1 1 35 35 LEU H H 35 8.050 8.050 7.725 0.325 18520 1282 1 8 . 1 1 2 2 GLN N N 2 122.100 122.100 123.226 -1.126 18520 1283 1 8 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.318 -0.198 18520 1284 1 8 . 1 1 2 2 GLN C C 2 173.600 173.600 175.354 -1.754 18520 1285 1 8 . 1 1 2 2 GLN CA C 2 55.700 55.700 55.440 0.261 18520 1286 1 8 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.519 -0.319 18520 1287 1 8 . 1 1 2 2 GLN H H 2 8.340 8.340 8.106 0.234 18520 1288 1 8 . 1 1 3 3 HIS N N 3 120.300 120.300 125.184 -4.884 18520 1289 1 8 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.526 -0.036 18520 1290 1 8 . 1 1 3 3 HIS C C 3 173.400 173.400 175.299 -1.899 18520 1291 1 8 . 1 1 3 3 HIS CA C 3 55.700 55.700 56.758 -1.058 18520 1292 1 8 . 1 1 3 3 HIS CB C 3 29.800 29.800 31.504 -1.704 18520 1293 1 8 . 1 1 3 3 HIS H H 3 8.440 8.440 8.801 -0.361 18520 1294 1 8 . 1 1 4 4 GLY N N 4 110.300 110.300 113.778 -3.478 18520 1295 1 8 . 1 1 4 4 GLY C C 4 171.900 171.900 172.755 -0.855 18520 1296 1 8 . 1 1 4 4 GLY CA C 4 45.000 45.000 43.975 1.025 18520 1297 1 8 . 1 1 4 4 GLY H H 4 8.370 8.370 8.307 0.063 18520 1298 1 8 . 1 1 5 5 ARG N N 5 120.800 120.800 119.906 0.894 18520 1299 1 8 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.569 -0.329 18520 1300 1 8 . 1 1 5 5 ARG C C 5 174.700 174.700 177.929 -3.229 18520 1301 1 8 . 1 1 5 5 ARG CA C 5 55.800 55.800 55.610 0.190 18520 1302 1 8 . 1 1 5 5 ARG CB C 5 30.500 30.500 31.706 -1.206 18520 1303 1 8 . 1 1 5 5 ARG H H 5 8.240 8.240 8.591 -0.351 18520 1304 1 8 . 1 1 6 6 THR N N 6 116.100 116.100 120.913 -4.813 18520 1305 1 8 . 1 1 6 6 THR HA H 6 4.120 4.120 4.211 -0.091 18520 1306 1 8 . 1 1 6 6 THR C C 6 172.600 172.600 176.954 -4.354 18520 1307 1 8 . 1 1 6 6 THR CA C 6 61.900 61.900 66.373 -4.473 18520 1308 1 8 . 1 1 6 6 THR CB C 6 69.500 69.500 68.821 0.679 18520 1309 1 8 . 1 1 6 6 THR H H 6 8.240 8.240 9.044 -0.804 18520 1310 1 8 . 1 1 7 7 GLN N N 7 122.000 122.000 119.296 2.704 18520 1311 1 8 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.195 -0.075 18520 1312 1 8 . 1 1 7 7 GLN C C 7 173.400 173.400 176.562 -3.162 18520 1313 1 8 . 1 1 7 7 GLN CA C 7 55.800 55.800 58.301 -2.501 18520 1314 1 8 . 1 1 7 7 GLN CB C 7 29.300 29.300 28.277 1.023 18520 1315 1 8 . 1 1 7 7 GLN H H 7 8.390 8.390 8.586 -0.196 18520 1316 1 8 . 1 1 8 8 ASP N N 8 121.400 121.400 117.938 3.462 18520 1317 1 8 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.592 -0.212 18520 1318 1 8 . 1 1 8 8 ASP C C 8 173.700 173.700 176.996 -3.296 18520 1319 1 8 . 1 1 8 8 ASP CA C 8 54.300 54.300 55.521 -1.221 18520 1320 1 8 . 1 1 8 8 ASP CB C 8 40.800 40.800 40.989 -0.189 18520 1321 1 8 . 1 1 8 8 ASP H H 8 8.180 8.180 8.234 -0.054 18520 1322 1 8 . 1 1 9 9 GLU N N 9 120.600 120.600 119.107 1.493 18520 1323 1 8 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.415 -0.275 18520 1324 1 8 . 1 1 9 9 GLU C C 9 173.700 173.700 176.110 -2.410 18520 1325 1 8 . 1 1 9 9 GLU CA C 9 55.600 55.600 55.249 0.351 18520 1326 1 8 . 1 1 9 9 GLU CB C 9 30.800 30.800 30.429 0.371 18520 1327 1 8 . 1 1 9 9 GLU H H 9 8.050 8.050 8.327 -0.277 18520 1328 1 8 . 1 1 10 10 ASN N N 10 124.100 124.100 120.141 3.959 18520 1329 1 8 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.857 -0.177 18520 1330 1 8 . 1 1 10 10 ASN C C 10 172.400 172.400 175.414 -3.014 18520 1331 1 8 . 1 1 10 10 ASN CA C 10 51.900 51.900 51.562 0.338 18520 1332 1 8 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.919 1.481 18520 1333 1 8 . 1 1 10 10 ASN H H 10 8.950 8.950 8.483 0.467 18520 1334 1 8 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.612 -0.362 18520 1335 1 8 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.621 -0.621 18520 1336 1 8 . 1 1 11 11 PRO CB C 11 32.400 32.400 32.099 0.301 18520 1337 1 8 . 1 1 12 12 VAL N N 12 119.100 119.100 119.459 -0.359 18520 1338 1 8 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.893 -0.293 18520 1339 1 8 . 1 1 12 12 VAL C C 12 175.300 175.300 178.390 -3.090 18520 1340 1 8 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.947 0.353 18520 1341 1 8 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.420 -0.320 18520 1342 1 8 . 1 1 12 12 VAL H H 12 8.190 8.190 7.995 0.195 18520 1343 1 8 . 1 1 13 13 VAL N N 13 120.000 120.000 120.795 -0.795 18520 1344 1 8 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.612 -0.142 18520 1345 1 8 . 1 1 13 13 VAL C C 13 175.400 175.400 178.004 -2.604 18520 1346 1 8 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.093 0.707 18520 1347 1 8 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.238 0.262 18520 1348 1 8 . 1 1 13 13 VAL H H 13 7.430 7.430 7.871 -0.441 18520 1349 1 8 . 1 1 14 14 HIS N N 14 116.900 116.900 118.626 -1.726 18520 1350 1 8 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.211 -0.291 18520 1351 1 8 . 1 1 14 14 HIS C C 14 174.400 174.400 177.786 -3.386 18520 1352 1 8 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.366 0.334 18520 1353 1 8 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.504 -0.204 18520 1354 1 8 . 1 1 14 14 HIS H H 14 8.320 8.320 8.266 0.054 18520 1355 1 8 . 1 1 15 15 PHE N N 15 118.600 118.600 120.972 -2.372 18520 1356 1 8 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.116 -0.146 18520 1357 1 8 . 1 1 15 15 PHE C C 15 175.200 175.200 177.258 -2.058 18520 1358 1 8 . 1 1 15 15 PHE CA C 15 61.200 61.200 61.442 -0.242 18520 1359 1 8 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.923 0.077 18520 1360 1 8 . 1 1 15 15 PHE H H 15 7.770 7.770 8.287 -0.517 18520 1361 1 8 . 1 1 16 16 PHE N N 16 116.500 116.500 119.236 -2.736 18520 1362 1 8 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.876 0.044 18520 1363 1 8 . 1 1 16 16 PHE C C 16 175.500 175.500 177.229 -1.729 18520 1364 1 8 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.945 -0.245 18520 1365 1 8 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.228 -0.028 18520 1366 1 8 . 1 1 16 16 PHE H H 16 7.890 7.890 8.468 -0.578 18520 1367 1 8 . 1 1 17 17 LYS N N 17 117.900 117.900 118.127 -0.227 18520 1368 1 8 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.761 -0.061 18520 1369 1 8 . 1 1 17 17 LYS C C 17 175.900 175.900 179.111 -3.211 18520 1370 1 8 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.551 0.149 18520 1371 1 8 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.163 0.136 18520 1372 1 8 . 1 1 17 17 LYS H H 17 8.430 8.430 8.288 0.142 18520 1373 1 8 . 1 1 18 18 ASN N N 18 115.200 115.200 115.982 -0.782 18520 1374 1 8 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.517 -0.247 18520 1375 1 8 . 1 1 18 18 ASN C C 18 173.900 173.900 175.529 -1.629 18520 1376 1 8 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.071 -0.570 18520 1377 1 8 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.105 0.395 18520 1378 1 8 . 1 1 18 18 ASN H H 18 7.460 7.460 7.911 -0.451 18520 1379 1 8 . 1 1 19 19 ILE N N 19 117.600 117.600 117.240 0.360 18520 1380 1 8 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.868 -0.188 18520 1381 1 8 . 1 1 19 19 ILE C C 19 173.800 173.800 177.135 -3.335 18520 1382 1 8 . 1 1 19 19 ILE CA C 19 62.900 62.900 61.924 0.976 18520 1383 1 8 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.298 -0.498 18520 1384 1 8 . 1 1 19 19 ILE H H 19 7.170 7.170 7.254 -0.084 18520 1385 1 8 . 1 1 20 20 VAL N N 20 113.300 113.300 113.322 -0.022 18520 1386 1 8 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.001 -0.061 18520 1387 1 8 . 1 1 20 20 VAL C C 20 173.400 173.400 176.143 -2.743 18520 1388 1 8 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.142 -0.942 18520 1389 1 8 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.439 -0.439 18520 1390 1 8 . 1 1 20 20 VAL H H 20 7.210 7.210 7.460 -0.250 18520 1391 1 8 . 1 1 21 21 THR N N 21 117.300 117.300 112.134 5.166 18520 1392 1 8 . 1 1 21 21 THR HA H 21 4.320 4.320 4.749 -0.429 18520 1393 1 8 . 1 1 21 21 THR C C 21 180.100 180.100 171.995 8.105 18520 1394 1 8 . 1 1 21 21 THR CA C 21 58.200 58.200 58.469 -0.269 18520 1395 1 8 . 1 1 21 21 THR CB C 21 69.500 69.500 69.895 -0.395 18520 1396 1 8 . 1 1 21 21 THR H H 21 7.600 7.600 7.700 -0.100 18520 1397 1 8 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.322 -0.082 18520 1398 1 8 . 1 1 22 22 PRO C C 22 174.800 174.800 177.024 -2.224 18520 1399 1 8 . 1 1 22 22 PRO CA C 22 62.800 62.800 63.078 -0.278 18520 1400 1 8 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.064 -0.364 18520 1401 1 8 . 1 1 23 23 ARG N N 23 121.500 121.500 124.540 -3.040 18520 1402 1 8 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.210 -0.050 18520 1403 1 8 . 1 1 23 23 ARG C C 23 174.200 174.200 176.258 -2.058 18520 1404 1 8 . 1 1 23 23 ARG CA C 23 55.800 55.800 57.473 -1.673 18520 1405 1 8 . 1 1 23 23 ARG CB C 23 30.600 30.600 30.031 0.569 18520 1406 1 8 . 1 1 23 23 ARG H H 23 8.440 8.440 8.597 -0.157 18520 1407 1 8 . 1 1 24 24 THR N N 24 118.500 118.500 122.793 -4.293 18520 1408 1 8 . 1 1 24 24 THR HA H 24 4.360 4.360 4.546 -0.186 18520 1409 1 8 . 1 1 24 24 THR C C 24 180.200 180.200 172.210 7.990 18520 1410 1 8 . 1 1 24 24 THR CA C 24 59.700 59.700 59.165 0.535 18520 1411 1 8 . 1 1 24 24 THR CB C 24 69.600 69.600 69.890 -0.290 18520 1412 1 8 . 1 1 24 24 THR H H 24 8.150 8.150 8.127 0.023 18520 1413 1 8 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.387 0.103 18520 1414 1 8 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.971 -0.771 18520 1415 1 8 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.104 -0.604 18520 1416 1 8 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.121 0.399 18520 1417 1 8 . 1 1 26 26 PRO CA C 26 61.100 61.100 62.009 -0.909 18520 1418 1 8 . 1 1 26 26 PRO CB C 26 30.500 30.500 31.594 -1.094 18520 1419 1 8 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.487 -0.237 18520 1420 1 8 . 1 1 27 27 PRO C C 27 175.000 175.000 176.860 -1.860 18520 1421 1 8 . 1 1 27 27 PRO CA C 27 62.800 62.800 62.557 0.243 18520 1422 1 8 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.746 -1.046 18520 1423 1 8 . 1 1 28 28 SER N N 28 115.800 115.800 116.449 -0.649 18520 1424 1 8 . 1 1 28 28 SER HA H 28 4.210 4.210 4.415 -0.205 18520 1425 1 8 . 1 1 28 28 SER C C 28 172.600 172.600 174.551 -1.951 18520 1426 1 8 . 1 1 28 28 SER CA C 28 58.100 58.100 57.755 0.345 18520 1427 1 8 . 1 1 28 28 SER CB C 28 63.400 63.400 64.059 -0.659 18520 1428 1 8 . 1 1 28 28 SER H H 28 8.300 8.300 8.413 -0.113 18520 1429 1 8 . 1 1 29 29 GLN N N 29 122.000 122.000 120.999 1.001 18520 1430 1 8 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.226 -0.046 18520 1431 1 8 . 1 1 29 29 GLN C C 29 174.200 174.200 177.066 -2.866 18520 1432 1 8 . 1 1 29 29 GLN CA C 29 55.700 55.700 57.359 -1.659 18520 1433 1 8 . 1 1 29 29 GLN CB C 29 29.100 29.100 28.971 0.129 18520 1434 1 8 . 1 1 29 29 GLN H H 29 8.360 8.360 8.579 -0.219 18520 1435 1 8 . 1 1 30 30 GLY N N 30 109.900 109.900 109.653 0.247 18520 1436 1 8 . 1 1 30 30 GLY C C 30 172.000 172.000 174.505 -2.505 18520 1437 1 8 . 1 1 30 30 GLY CA C 30 45.000 45.000 44.830 0.170 18520 1438 1 8 . 1 1 30 30 GLY H H 30 8.310 8.310 8.733 -0.423 18520 1439 1 8 . 1 1 31 31 LYS N N 31 120.800 120.800 122.004 -1.204 18520 1440 1 8 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.634 -0.494 18520 1441 1 8 . 1 1 31 31 LYS C C 31 175.100 175.100 176.920 -1.820 18520 1442 1 8 . 1 1 31 31 LYS CA C 31 56.100 56.100 55.050 1.050 18520 1443 1 8 . 1 1 31 31 LYS CB C 31 32.700 32.700 33.445 -0.745 18520 1444 1 8 . 1 1 31 31 LYS H H 31 8.180 8.180 7.581 0.599 18520 1445 1 8 . 1 1 32 32 GLY N N 32 109.900 109.900 108.696 1.204 18520 1446 1 8 . 1 1 32 32 GLY C C 32 171.900 171.900 174.850 -2.950 18520 1447 1 8 . 1 1 32 32 GLY CA C 32 45.000 45.000 44.404 0.596 18520 1448 1 8 . 1 1 32 32 GLY H H 32 8.390 8.390 8.570 -0.180 18520 1449 1 8 . 1 1 33 33 ARG N N 33 120.600 120.600 120.387 0.213 18520 1450 1 8 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.173 -0.033 18520 1451 1 8 . 1 1 33 33 ARG C C 33 174.800 174.800 178.893 -4.093 18520 1452 1 8 . 1 1 33 33 ARG CA C 33 55.900 55.900 58.870 -2.970 18520 1453 1 8 . 1 1 33 33 ARG CB C 33 30.300 30.300 30.337 -0.037 18520 1454 1 8 . 1 1 33 33 ARG H H 33 8.190 8.190 8.680 -0.490 18520 1455 1 8 . 1 1 34 34 GLY N N 34 110.000 110.000 108.433 1.567 18520 1456 1 8 . 1 1 34 34 GLY C C 34 171.900 171.900 175.425 -3.525 18520 1457 1 8 . 1 1 34 34 GLY CA C 34 45.000 45.000 46.170 -1.170 18520 1458 1 8 . 1 1 34 34 GLY H H 34 8.400 8.400 8.738 -0.338 18520 1459 1 8 . 1 1 35 35 LEU N N 35 121.800 121.800 120.823 0.977 18520 1460 1 8 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.248 -0.018 18520 1461 1 8 . 1 1 35 35 LEU C C 35 174.600 174.600 177.802 -3.202 18520 1462 1 8 . 1 1 35 35 LEU CA C 35 54.800 54.800 56.026 -1.226 18520 1463 1 8 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.322 -0.122 18520 1464 1 8 . 1 1 35 35 LEU H H 35 8.050 8.050 7.646 0.404 18520 1465 1 9 . 1 1 2 2 GLN N N 2 122.100 122.100 121.943 0.157 18520 1466 1 9 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.324 -0.204 18520 1467 1 9 . 1 1 2 2 GLN C C 2 173.600 173.600 176.001 -2.401 18520 1468 1 9 . 1 1 2 2 GLN CA C 2 55.700 55.700 56.254 -0.554 18520 1469 1 9 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.415 -0.215 18520 1470 1 9 . 1 1 2 2 GLN H H 2 8.340 8.340 8.287 0.053 18520 1471 1 9 . 1 1 3 3 HIS N N 3 120.300 120.300 121.520 -1.220 18520 1472 1 9 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.606 -0.116 18520 1473 1 9 . 1 1 3 3 HIS C C 3 173.400 173.400 174.710 -1.310 18520 1474 1 9 . 1 1 3 3 HIS CA C 3 55.700 55.700 55.765 -0.065 18520 1475 1 9 . 1 1 3 3 HIS CB C 3 29.800 29.800 30.588 -0.788 18520 1476 1 9 . 1 1 3 3 HIS H H 3 8.440 8.440 8.233 0.207 18520 1477 1 9 . 1 1 4 4 GLY N N 4 110.300 110.300 107.787 2.513 18520 1478 1 9 . 1 1 4 4 GLY C C 4 171.900 171.900 173.584 -1.684 18520 1479 1 9 . 1 1 4 4 GLY CA C 4 45.000 45.000 44.426 0.574 18520 1480 1 9 . 1 1 4 4 GLY H H 4 8.370 8.370 9.102 -0.732 18520 1481 1 9 . 1 1 5 5 ARG N N 5 120.800 120.800 118.665 2.135 18520 1482 1 9 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.242 -0.002 18520 1483 1 9 . 1 1 5 5 ARG C C 5 174.700 174.700 178.022 -3.322 18520 1484 1 9 . 1 1 5 5 ARG CA C 5 55.800 55.800 57.190 -1.389 18520 1485 1 9 . 1 1 5 5 ARG CB C 5 30.500 30.500 30.948 -0.448 18520 1486 1 9 . 1 1 5 5 ARG H H 5 8.240 8.240 8.576 -0.336 18520 1487 1 9 . 1 1 6 6 THR N N 6 116.100 116.100 115.936 0.164 18520 1488 1 9 . 1 1 6 6 THR HA H 6 4.120 4.120 3.985 0.135 18520 1489 1 9 . 1 1 6 6 THR C C 6 172.600 172.600 176.038 -3.438 18520 1490 1 9 . 1 1 6 6 THR CA C 6 61.900 61.900 66.400 -4.500 18520 1491 1 9 . 1 1 6 6 THR CB C 6 69.500 69.500 68.964 0.536 18520 1492 1 9 . 1 1 6 6 THR H H 6 8.240 8.240 8.532 -0.292 18520 1493 1 9 . 1 1 7 7 GLN N N 7 122.000 122.000 119.023 2.977 18520 1494 1 9 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.135 -0.015 18520 1495 1 9 . 1 1 7 7 GLN C C 7 173.400 173.400 177.160 -3.760 18520 1496 1 9 . 1 1 7 7 GLN CA C 7 55.800 55.800 58.508 -2.708 18520 1497 1 9 . 1 1 7 7 GLN CB C 7 29.300 29.300 28.751 0.549 18520 1498 1 9 . 1 1 7 7 GLN H H 7 8.390 8.390 8.335 0.055 18520 1499 1 9 . 1 1 8 8 ASP N N 8 121.400 121.400 117.841 3.559 18520 1500 1 9 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.628 -0.248 18520 1501 1 9 . 1 1 8 8 ASP C C 8 173.700 173.700 175.713 -2.013 18520 1502 1 9 . 1 1 8 8 ASP CA C 8 54.300 54.300 55.630 -1.331 18520 1503 1 9 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.141 -0.341 18520 1504 1 9 . 1 1 8 8 ASP H H 8 8.180 8.180 8.168 0.012 18520 1505 1 9 . 1 1 9 9 GLU N N 9 120.600 120.600 120.067 0.533 18520 1506 1 9 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.486 -0.346 18520 1507 1 9 . 1 1 9 9 GLU C C 9 173.700 173.700 174.787 -1.087 18520 1508 1 9 . 1 1 9 9 GLU CA C 9 55.600 55.600 55.294 0.306 18520 1509 1 9 . 1 1 9 9 GLU CB C 9 30.800 30.800 31.513 -0.713 18520 1510 1 9 . 1 1 9 9 GLU H H 9 8.050 8.050 8.180 -0.130 18520 1511 1 9 . 1 1 10 10 ASN N N 10 124.100 124.100 125.469 -1.369 18520 1512 1 9 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.745 -0.065 18520 1513 1 9 . 1 1 10 10 ASN C C 10 172.400 172.400 175.081 -2.681 18520 1514 1 9 . 1 1 10 10 ASN CA C 10 51.900 51.900 52.172 -0.272 18520 1515 1 9 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.713 1.687 18520 1516 1 9 . 1 1 10 10 ASN H H 10 8.950 8.950 8.805 0.145 18520 1517 1 9 . 1 1 11 11 PRO HA H 11 4.250 4.250 3.839 0.411 18520 1518 1 9 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.668 -0.668 18520 1519 1 9 . 1 1 11 11 PRO CB C 11 32.400 32.400 31.616 0.784 18520 1520 1 9 . 1 1 12 12 VAL N N 12 119.100 119.100 116.116 2.984 18520 1521 1 9 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.633 -0.033 18520 1522 1 9 . 1 1 12 12 VAL C C 12 175.300 175.300 177.979 -2.679 18520 1523 1 9 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.963 0.338 18520 1524 1 9 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.476 -0.376 18520 1525 1 9 . 1 1 12 12 VAL H H 12 8.190 8.190 8.103 0.087 18520 1526 1 9 . 1 1 13 13 VAL N N 13 120.000 120.000 120.340 -0.340 18520 1527 1 9 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.581 -0.111 18520 1528 1 9 . 1 1 13 13 VAL C C 13 175.400 175.400 177.530 -2.130 18520 1529 1 9 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.469 0.331 18520 1530 1 9 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.412 0.088 18520 1531 1 9 . 1 1 13 13 VAL H H 13 7.430 7.430 7.450 -0.020 18520 1532 1 9 . 1 1 14 14 HIS N N 14 116.900 116.900 121.109 -4.209 18520 1533 1 9 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.286 -0.366 18520 1534 1 9 . 1 1 14 14 HIS C C 14 174.400 174.400 177.806 -3.406 18520 1535 1 9 . 1 1 14 14 HIS CA C 14 59.700 59.700 60.056 -0.356 18520 1536 1 9 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.804 -0.504 18520 1537 1 9 . 1 1 14 14 HIS H H 14 8.320 8.320 8.198 0.122 18520 1538 1 9 . 1 1 15 15 PHE N N 15 118.600 118.600 117.971 0.629 18520 1539 1 9 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.162 -0.192 18520 1540 1 9 . 1 1 15 15 PHE C C 15 175.200 175.200 178.087 -2.887 18520 1541 1 9 . 1 1 15 15 PHE CA C 15 61.200 61.200 59.458 1.742 18520 1542 1 9 . 1 1 15 15 PHE CB C 15 39.000 39.000 37.382 1.618 18520 1543 1 9 . 1 1 15 15 PHE H H 15 7.770 7.770 8.134 -0.364 18520 1544 1 9 . 1 1 16 16 PHE N N 16 116.500 116.500 120.474 -3.974 18520 1545 1 9 . 1 1 16 16 PHE HA H 16 3.920 3.920 4.000 -0.080 18520 1546 1 9 . 1 1 16 16 PHE C C 16 175.500 175.500 177.215 -1.715 18520 1547 1 9 . 1 1 16 16 PHE CA C 16 61.700 61.700 62.215 -0.515 18520 1548 1 9 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.221 -0.021 18520 1549 1 9 . 1 1 16 16 PHE H H 16 7.890 7.890 8.558 -0.668 18520 1550 1 9 . 1 1 17 17 LYS N N 17 117.900 117.900 118.560 -0.660 18520 1551 1 9 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.689 0.011 18520 1552 1 9 . 1 1 17 17 LYS C C 17 175.900 175.900 178.862 -2.962 18520 1553 1 9 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.757 -0.057 18520 1554 1 9 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.106 0.194 18520 1555 1 9 . 1 1 17 17 LYS H H 17 8.430 8.430 8.437 -0.007 18520 1556 1 9 . 1 1 18 18 ASN N N 18 115.200 115.200 117.504 -2.304 18520 1557 1 9 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.401 -0.131 18520 1558 1 9 . 1 1 18 18 ASN C C 18 173.900 173.900 177.190 -3.290 18520 1559 1 9 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.785 -1.284 18520 1560 1 9 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.410 0.090 18520 1561 1 9 . 1 1 18 18 ASN H H 18 7.460 7.460 7.951 -0.491 18520 1562 1 9 . 1 1 19 19 ILE N N 19 117.600 117.600 117.806 -0.206 18520 1563 1 9 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.824 -0.144 18520 1564 1 9 . 1 1 19 19 ILE C C 19 173.800 173.800 177.218 -3.418 18520 1565 1 9 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.937 -1.037 18520 1566 1 9 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.601 -0.801 18520 1567 1 9 . 1 1 19 19 ILE H H 19 7.170 7.170 7.408 -0.238 18520 1568 1 9 . 1 1 20 20 VAL N N 20 113.300 113.300 112.913 0.387 18520 1569 1 9 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.010 -0.070 18520 1570 1 9 . 1 1 20 20 VAL C C 20 173.400 173.400 176.091 -2.691 18520 1571 1 9 . 1 1 20 20 VAL CA C 20 62.200 62.200 62.731 -0.531 18520 1572 1 9 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.242 -0.242 18520 1573 1 9 . 1 1 20 20 VAL H H 20 7.210 7.210 7.521 -0.311 18520 1574 1 9 . 1 1 21 21 THR N N 21 117.300 117.300 113.041 4.259 18520 1575 1 9 . 1 1 21 21 THR HA H 21 4.320 4.320 4.729 -0.409 18520 1576 1 9 . 1 1 21 21 THR C C 21 180.100 180.100 172.518 7.582 18520 1577 1 9 . 1 1 21 21 THR CA C 21 58.200 58.200 58.691 -0.491 18520 1578 1 9 . 1 1 21 21 THR CB C 21 69.500 69.500 69.953 -0.453 18520 1579 1 9 . 1 1 21 21 THR H H 21 7.600 7.600 7.744 -0.144 18520 1580 1 9 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.316 -0.076 18520 1581 1 9 . 1 1 22 22 PRO C C 22 174.800 174.800 176.470 -1.670 18520 1582 1 9 . 1 1 22 22 PRO CA C 22 62.800 62.800 62.846 -0.046 18520 1583 1 9 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.270 -0.570 18520 1584 1 9 . 1 1 23 23 ARG N N 23 121.500 121.500 121.004 0.496 18520 1585 1 9 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.126 0.034 18520 1586 1 9 . 1 1 23 23 ARG C C 23 174.200 174.200 177.106 -2.906 18520 1587 1 9 . 1 1 23 23 ARG CA C 23 55.800 55.800 57.460 -1.660 18520 1588 1 9 . 1 1 23 23 ARG CB C 23 30.600 30.600 29.498 1.102 18520 1589 1 9 . 1 1 23 23 ARG H H 23 8.440 8.440 8.548 -0.108 18520 1590 1 9 . 1 1 24 24 THR N N 24 118.500 118.500 118.892 -0.392 18520 1591 1 9 . 1 1 24 24 THR HA H 24 4.360 4.360 4.769 -0.409 18520 1592 1 9 . 1 1 24 24 THR C C 24 180.200 180.200 173.681 6.519 18520 1593 1 9 . 1 1 24 24 THR CA C 24 59.700 59.700 58.850 0.850 18520 1594 1 9 . 1 1 24 24 THR CB C 24 69.600 69.600 69.497 0.103 18520 1595 1 9 . 1 1 24 24 THR H H 24 8.150 8.150 8.899 -0.749 18520 1596 1 9 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.751 -0.261 18520 1597 1 9 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.704 -0.504 18520 1598 1 9 . 1 1 25 25 PRO CB C 25 30.500 30.500 30.705 -0.205 18520 1599 1 9 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.712 -0.192 18520 1600 1 9 . 1 1 26 26 PRO CA C 26 61.100 61.100 61.515 -0.415 18520 1601 1 9 . 1 1 26 26 PRO CB C 26 30.500 30.500 30.950 -0.450 18520 1602 1 9 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.434 -0.184 18520 1603 1 9 . 1 1 27 27 PRO C C 27 175.000 175.000 176.509 -1.509 18520 1604 1 9 . 1 1 27 27 PRO CA C 27 62.800 62.800 62.347 0.453 18520 1605 1 9 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.285 -0.585 18520 1606 1 9 . 1 1 28 28 SER N N 28 115.800 115.800 114.574 1.226 18520 1607 1 9 . 1 1 28 28 SER HA H 28 4.210 4.210 4.431 -0.221 18520 1608 1 9 . 1 1 28 28 SER C C 28 172.600 172.600 175.043 -2.443 18520 1609 1 9 . 1 1 28 28 SER CA C 28 58.100 58.100 57.857 0.243 18520 1610 1 9 . 1 1 28 28 SER CB C 28 63.400 63.400 63.905 -0.505 18520 1611 1 9 . 1 1 28 28 SER H H 28 8.300 8.300 8.133 0.167 18520 1612 1 9 . 1 1 29 29 GLN N N 29 122.000 122.000 120.941 1.059 18520 1613 1 9 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.201 -0.021 18520 1614 1 9 . 1 1 29 29 GLN C C 29 174.200 174.200 175.960 -1.760 18520 1615 1 9 . 1 1 29 29 GLN CA C 29 55.700 55.700 56.365 -0.665 18520 1616 1 9 . 1 1 29 29 GLN CB C 29 29.100 29.100 28.843 0.257 18520 1617 1 9 . 1 1 29 29 GLN H H 29 8.360 8.360 8.633 -0.273 18520 1618 1 9 . 1 1 30 30 GLY N N 30 109.900 109.900 115.239 -5.339 18520 1619 1 9 . 1 1 30 30 GLY C C 30 172.000 172.000 174.649 -2.649 18520 1620 1 9 . 1 1 30 30 GLY CA C 30 45.000 45.000 45.641 -0.641 18520 1621 1 9 . 1 1 30 30 GLY H H 30 8.310 8.310 8.639 -0.329 18520 1622 1 9 . 1 1 31 31 LYS N N 31 120.800 120.800 121.199 -0.399 18520 1623 1 9 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.510 -0.370 18520 1624 1 9 . 1 1 31 31 LYS C C 31 175.100 175.100 177.081 -1.981 18520 1625 1 9 . 1 1 31 31 LYS CA C 31 56.100 56.100 55.486 0.614 18520 1626 1 9 . 1 1 31 31 LYS CB C 31 32.700 32.700 33.375 -0.675 18520 1627 1 9 . 1 1 31 31 LYS H H 31 8.180 8.180 7.944 0.236 18520 1628 1 9 . 1 1 32 32 GLY N N 32 109.900 109.900 109.767 0.133 18520 1629 1 9 . 1 1 32 32 GLY C C 32 171.900 171.900 175.035 -3.135 18520 1630 1 9 . 1 1 32 32 GLY CA C 32 45.000 45.000 44.581 0.419 18520 1631 1 9 . 1 1 32 32 GLY H H 32 8.390 8.390 8.516 -0.126 18520 1632 1 9 . 1 1 33 33 ARG N N 33 120.600 120.600 119.559 1.041 18520 1633 1 9 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.223 -0.083 18520 1634 1 9 . 1 1 33 33 ARG C C 33 174.800 174.800 176.769 -1.969 18520 1635 1 9 . 1 1 33 33 ARG CA C 33 55.900 55.900 56.782 -0.882 18520 1636 1 9 . 1 1 33 33 ARG CB C 33 30.300 30.300 30.375 -0.075 18520 1637 1 9 . 1 1 33 33 ARG H H 33 8.190 8.190 8.361 -0.171 18520 1638 1 9 . 1 1 34 34 GLY N N 34 110.000 110.000 107.310 2.690 18520 1639 1 9 . 1 1 34 34 GLY C C 34 171.900 171.900 174.166 -2.266 18520 1640 1 9 . 1 1 34 34 GLY CA C 34 45.000 45.000 45.147 -0.147 18520 1641 1 9 . 1 1 34 34 GLY H H 34 8.400 8.400 8.045 0.355 18520 1642 1 9 . 1 1 35 35 LEU N N 35 121.800 121.800 119.744 2.056 18520 1643 1 9 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.628 -0.398 18520 1644 1 9 . 1 1 35 35 LEU C C 35 174.600 174.600 176.772 -2.172 18520 1645 1 9 . 1 1 35 35 LEU CA C 35 54.800 54.800 55.264 -0.464 18520 1646 1 9 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.878 -0.678 18520 1647 1 9 . 1 1 35 35 LEU H H 35 8.050 8.050 7.829 0.221 18520 1648 1 10 . 1 1 2 2 GLN N N 2 122.100 122.100 122.727 -0.627 18520 1649 1 10 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.023 0.097 18520 1650 1 10 . 1 1 2 2 GLN C C 2 173.600 173.600 176.027 -2.427 18520 1651 1 10 . 1 1 2 2 GLN CA C 2 55.700 55.700 58.013 -2.313 18520 1652 1 10 . 1 1 2 2 GLN CB C 2 29.200 29.200 28.637 0.563 18520 1653 1 10 . 1 1 2 2 GLN H H 2 8.340 8.340 8.529 -0.189 18520 1654 1 10 . 1 1 3 3 HIS N N 3 120.300 120.300 113.833 6.467 18520 1655 1 10 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.796 -0.306 18520 1656 1 10 . 1 1 3 3 HIS C C 3 173.400 173.400 176.629 -3.229 18520 1657 1 10 . 1 1 3 3 HIS CA C 3 55.700 55.700 56.352 -0.652 18520 1658 1 10 . 1 1 3 3 HIS CB C 3 29.800 29.800 30.743 -0.943 18520 1659 1 10 . 1 1 3 3 HIS H H 3 8.440 8.440 8.193 0.247 18520 1660 1 10 . 1 1 4 4 GLY N N 4 110.300 110.300 109.289 1.011 18520 1661 1 10 . 1 1 4 4 GLY C C 4 171.900 171.900 175.566 -3.666 18520 1662 1 10 . 1 1 4 4 GLY CA C 4 45.000 45.000 45.903 -0.903 18520 1663 1 10 . 1 1 4 4 GLY H H 4 8.370 8.370 8.320 0.050 18520 1664 1 10 . 1 1 5 5 ARG N N 5 120.800 120.800 119.756 1.044 18520 1665 1 10 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.265 -0.025 18520 1666 1 10 . 1 1 5 5 ARG C C 5 174.700 174.700 176.577 -1.877 18520 1667 1 10 . 1 1 5 5 ARG CA C 5 55.800 55.800 57.366 -1.566 18520 1668 1 10 . 1 1 5 5 ARG CB C 5 30.500 30.500 30.773 -0.273 18520 1669 1 10 . 1 1 5 5 ARG H H 5 8.240 8.240 7.675 0.565 18520 1670 1 10 . 1 1 6 6 THR N N 6 116.100 116.100 110.344 5.756 18520 1671 1 10 . 1 1 6 6 THR HA H 6 4.120 4.120 4.391 -0.271 18520 1672 1 10 . 1 1 6 6 THR C C 6 172.600 172.600 173.797 -1.197 18520 1673 1 10 . 1 1 6 6 THR CA C 6 61.900 61.900 60.187 1.713 18520 1674 1 10 . 1 1 6 6 THR CB C 6 69.500 69.500 70.484 -0.984 18520 1675 1 10 . 1 1 6 6 THR H H 6 8.240 8.240 7.556 0.684 18520 1676 1 10 . 1 1 7 7 GLN N N 7 122.000 122.000 120.689 1.311 18520 1677 1 10 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.237 -0.117 18520 1678 1 10 . 1 1 7 7 GLN C C 7 173.400 173.400 175.103 -1.703 18520 1679 1 10 . 1 1 7 7 GLN CA C 7 55.800 55.800 56.351 -0.551 18520 1680 1 10 . 1 1 7 7 GLN CB C 7 29.300 29.300 29.410 -0.110 18520 1681 1 10 . 1 1 7 7 GLN H H 7 8.390 8.390 8.518 -0.128 18520 1682 1 10 . 1 1 8 8 ASP N N 8 121.400 121.400 125.476 -4.076 18520 1683 1 10 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.731 -0.351 18520 1684 1 10 . 1 1 8 8 ASP C C 8 173.700 173.700 176.246 -2.546 18520 1685 1 10 . 1 1 8 8 ASP CA C 8 54.300 54.300 54.830 -0.530 18520 1686 1 10 . 1 1 8 8 ASP CB C 8 40.800 40.800 40.807 -0.007 18520 1687 1 10 . 1 1 8 8 ASP H H 8 8.180 8.180 8.442 -0.262 18520 1688 1 10 . 1 1 9 9 GLU N N 9 120.600 120.600 124.632 -4.032 18520 1689 1 10 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.439 -0.299 18520 1690 1 10 . 1 1 9 9 GLU C C 9 173.700 173.700 176.200 -2.500 18520 1691 1 10 . 1 1 9 9 GLU CA C 9 55.600 55.600 55.573 0.027 18520 1692 1 10 . 1 1 9 9 GLU CB C 9 30.800 30.800 31.765 -0.965 18520 1693 1 10 . 1 1 9 9 GLU H H 9 8.050 8.050 8.692 -0.642 18520 1694 1 10 . 1 1 10 10 ASN N N 10 124.100 124.100 122.067 2.033 18520 1695 1 10 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.852 -0.172 18520 1696 1 10 . 1 1 10 10 ASN C C 10 172.400 172.400 175.089 -2.689 18520 1697 1 10 . 1 1 10 10 ASN CA C 10 51.900 51.900 51.266 0.634 18520 1698 1 10 . 1 1 10 10 ASN CB C 10 39.400 39.400 37.930 1.470 18520 1699 1 10 . 1 1 10 10 ASN H H 10 8.950 8.950 8.719 0.231 18520 1700 1 10 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.080 0.170 18520 1701 1 10 . 1 1 11 11 PRO CA C 11 65.000 65.000 64.695 0.305 18520 1702 1 10 . 1 1 11 11 PRO CB C 11 32.400 32.400 31.916 0.484 18520 1703 1 10 . 1 1 12 12 VAL N N 12 119.100 119.100 117.745 1.355 18520 1704 1 10 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.758 -0.158 18520 1705 1 10 . 1 1 12 12 VAL C C 12 175.300 175.300 177.626 -2.326 18520 1706 1 10 . 1 1 12 12 VAL CA C 12 66.300 66.300 65.242 1.058 18520 1707 1 10 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.666 -0.567 18520 1708 1 10 . 1 1 12 12 VAL H H 12 8.190 8.190 7.656 0.534 18520 1709 1 10 . 1 1 13 13 VAL N N 13 120.000 120.000 120.403 -0.403 18520 1710 1 10 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.542 -0.072 18520 1711 1 10 . 1 1 13 13 VAL C C 13 175.400 175.400 177.852 -2.452 18520 1712 1 10 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.248 0.552 18520 1713 1 10 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.418 0.082 18520 1714 1 10 . 1 1 13 13 VAL H H 13 7.430 7.430 7.216 0.214 18520 1715 1 10 . 1 1 14 14 HIS N N 14 116.900 116.900 118.447 -1.547 18520 1716 1 10 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.453 -0.533 18520 1717 1 10 . 1 1 14 14 HIS C C 14 174.400 174.400 178.177 -3.777 18520 1718 1 10 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.232 0.468 18520 1719 1 10 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.618 -0.318 18520 1720 1 10 . 1 1 14 14 HIS H H 14 8.320 8.320 7.340 0.980 18520 1721 1 10 . 1 1 15 15 PHE N N 15 118.600 118.600 120.350 -1.750 18520 1722 1 10 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.334 -0.364 18520 1723 1 10 . 1 1 15 15 PHE C C 15 175.200 175.200 177.689 -2.489 18520 1724 1 10 . 1 1 15 15 PHE CA C 15 61.200 61.200 59.020 2.180 18520 1725 1 10 . 1 1 15 15 PHE CB C 15 39.000 39.000 37.562 1.438 18520 1726 1 10 . 1 1 15 15 PHE H H 15 7.770 7.770 8.233 -0.463 18520 1727 1 10 . 1 1 16 16 PHE N N 16 116.500 116.500 120.751 -4.251 18520 1728 1 10 . 1 1 16 16 PHE HA H 16 3.920 3.920 4.040 -0.120 18520 1729 1 10 . 1 1 16 16 PHE C C 16 175.500 175.500 177.100 -1.600 18520 1730 1 10 . 1 1 16 16 PHE CA C 16 61.700 61.700 62.283 -0.584 18520 1731 1 10 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.178 0.022 18520 1732 1 10 . 1 1 16 16 PHE H H 16 7.890 7.890 8.732 -0.842 18520 1733 1 10 . 1 1 17 17 LYS N N 17 117.900 117.900 118.166 -0.266 18520 1734 1 10 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.789 -0.089 18520 1735 1 10 . 1 1 17 17 LYS C C 17 175.900 175.900 178.859 -2.959 18520 1736 1 10 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.722 -0.022 18520 1737 1 10 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.136 0.164 18520 1738 1 10 . 1 1 17 17 LYS H H 17 8.430 8.430 8.103 0.327 18520 1739 1 10 . 1 1 18 18 ASN N N 18 115.200 115.200 117.664 -2.464 18520 1740 1 10 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.506 -0.236 18520 1741 1 10 . 1 1 18 18 ASN C C 18 173.900 173.900 176.826 -2.926 18520 1742 1 10 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.848 -1.348 18520 1743 1 10 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.541 -0.041 18520 1744 1 10 . 1 1 18 18 ASN H H 18 7.460 7.460 7.907 -0.447 18520 1745 1 10 . 1 1 19 19 ILE N N 19 117.600 117.600 118.685 -1.085 18520 1746 1 10 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.797 -0.117 18520 1747 1 10 . 1 1 19 19 ILE C C 19 173.800 173.800 177.553 -3.753 18520 1748 1 10 . 1 1 19 19 ILE CA C 19 62.900 62.900 64.199 -1.299 18520 1749 1 10 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.423 -0.623 18520 1750 1 10 . 1 1 19 19 ILE H H 19 7.170 7.170 7.629 -0.459 18520 1751 1 10 . 1 1 20 20 VAL N N 20 113.300 113.300 113.120 0.180 18520 1752 1 10 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.055 -0.115 18520 1753 1 10 . 1 1 20 20 VAL C C 20 173.400 173.400 176.265 -2.865 18520 1754 1 10 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.283 -1.083 18520 1755 1 10 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.338 -0.338 18520 1756 1 10 . 1 1 20 20 VAL H H 20 7.210 7.210 7.551 -0.341 18520 1757 1 10 . 1 1 21 21 THR N N 21 117.300 117.300 118.110 -0.810 18520 1758 1 10 . 1 1 21 21 THR HA H 21 4.320 4.320 4.757 -0.437 18520 1759 1 10 . 1 1 21 21 THR C C 21 180.100 180.100 172.637 7.463 18520 1760 1 10 . 1 1 21 21 THR CA C 21 58.200 58.200 58.736 -0.536 18520 1761 1 10 . 1 1 21 21 THR CB C 21 69.500 69.500 70.333 -0.833 18520 1762 1 10 . 1 1 21 21 THR H H 21 7.600 7.600 7.811 -0.211 18520 1763 1 10 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.362 -0.122 18520 1764 1 10 . 1 1 22 22 PRO C C 22 174.800 174.800 176.725 -1.925 18520 1765 1 10 . 1 1 22 22 PRO CA C 22 62.800 62.800 63.907 -1.107 18520 1766 1 10 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.111 -0.411 18520 1767 1 10 . 1 1 23 23 ARG N N 23 121.500 121.500 120.508 0.992 18520 1768 1 10 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.361 -0.201 18520 1769 1 10 . 1 1 23 23 ARG C C 23 174.200 174.200 176.253 -2.053 18520 1770 1 10 . 1 1 23 23 ARG CA C 23 55.800 55.800 55.810 -0.010 18520 1771 1 10 . 1 1 23 23 ARG CB C 23 30.600 30.600 30.482 0.118 18520 1772 1 10 . 1 1 23 23 ARG H H 23 8.440 8.440 7.806 0.634 18520 1773 1 10 . 1 1 24 24 THR N N 24 118.500 118.500 121.275 -2.775 18520 1774 1 10 . 1 1 24 24 THR HA H 24 4.360 4.360 4.361 -0.001 18520 1775 1 10 . 1 1 24 24 THR C C 24 180.200 180.200 173.799 6.401 18520 1776 1 10 . 1 1 24 24 THR CA C 24 59.700 59.700 61.297 -1.597 18520 1777 1 10 . 1 1 24 24 THR CB C 24 69.600 69.600 69.138 0.462 18520 1778 1 10 . 1 1 24 24 THR H H 24 8.150 8.150 8.278 -0.128 18520 1779 1 10 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.714 -0.224 18520 1780 1 10 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.286 -0.086 18520 1781 1 10 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.247 -0.747 18520 1782 1 10 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.480 0.040 18520 1783 1 10 . 1 1 26 26 PRO CA C 26 61.100 61.100 61.285 -0.185 18520 1784 1 10 . 1 1 26 26 PRO CB C 26 30.500 30.500 30.920 -0.420 18520 1785 1 10 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.229 0.021 18520 1786 1 10 . 1 1 27 27 PRO C C 27 175.000 175.000 175.938 -0.938 18520 1787 1 10 . 1 1 27 27 PRO CA C 27 62.800 62.800 61.967 0.834 18520 1788 1 10 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.641 -0.941 18520 1789 1 10 . 1 1 28 28 SER N N 28 115.800 115.800 116.006 -0.206 18520 1790 1 10 . 1 1 28 28 SER HA H 28 4.210 4.210 4.386 -0.176 18520 1791 1 10 . 1 1 28 28 SER C C 28 172.600 172.600 175.033 -2.433 18520 1792 1 10 . 1 1 28 28 SER CA C 28 58.100 58.100 58.451 -0.351 18520 1793 1 10 . 1 1 28 28 SER CB C 28 63.400 63.400 63.684 -0.284 18520 1794 1 10 . 1 1 28 28 SER H H 28 8.300 8.300 8.288 0.012 18520 1795 1 10 . 1 1 29 29 GLN N N 29 122.000 122.000 127.169 -5.169 18520 1796 1 10 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.195 -0.015 18520 1797 1 10 . 1 1 29 29 GLN C C 29 174.200 174.200 176.526 -2.326 18520 1798 1 10 . 1 1 29 29 GLN CA C 29 55.700 55.700 56.828 -1.128 18520 1799 1 10 . 1 1 29 29 GLN CB C 29 29.100 29.100 29.693 -0.593 18520 1800 1 10 . 1 1 29 29 GLN H H 29 8.360 8.360 8.883 -0.523 18520 1801 1 10 . 1 1 30 30 GLY N N 30 109.900 109.900 110.540 -0.640 18520 1802 1 10 . 1 1 30 30 GLY C C 30 172.000 172.000 173.224 -1.224 18520 1803 1 10 . 1 1 30 30 GLY CA C 30 45.000 45.000 44.623 0.377 18520 1804 1 10 . 1 1 30 30 GLY H H 30 8.310 8.310 8.593 -0.283 18520 1805 1 10 . 1 1 31 31 LYS N N 31 120.800 120.800 123.577 -2.777 18520 1806 1 10 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.129 0.011 18520 1807 1 10 . 1 1 31 31 LYS C C 31 175.100 175.100 177.108 -2.008 18520 1808 1 10 . 1 1 31 31 LYS CA C 31 56.100 56.100 57.567 -1.467 18520 1809 1 10 . 1 1 31 31 LYS CB C 31 32.700 32.700 32.680 0.020 18520 1810 1 10 . 1 1 31 31 LYS H H 31 8.180 8.180 8.746 -0.566 18520 1811 1 10 . 1 1 32 32 GLY N N 32 109.900 109.900 110.854 -0.954 18520 1812 1 10 . 1 1 32 32 GLY C C 32 171.900 171.900 174.370 -2.470 18520 1813 1 10 . 1 1 32 32 GLY CA C 32 45.000 45.000 44.759 0.241 18520 1814 1 10 . 1 1 32 32 GLY H H 32 8.390 8.390 8.636 -0.246 18520 1815 1 10 . 1 1 33 33 ARG N N 33 120.600 120.600 120.701 -0.101 18520 1816 1 10 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.338 -0.198 18520 1817 1 10 . 1 1 33 33 ARG C C 33 174.800 174.800 177.056 -2.256 18520 1818 1 10 . 1 1 33 33 ARG CA C 33 55.900 55.900 56.532 -0.632 18520 1819 1 10 . 1 1 33 33 ARG CB C 33 30.300 30.300 31.147 -0.847 18520 1820 1 10 . 1 1 33 33 ARG H H 33 8.190 8.190 7.683 0.507 18520 1821 1 10 . 1 1 34 34 GLY N N 34 110.000 110.000 113.462 -3.462 18520 1822 1 10 . 1 1 34 34 GLY C C 34 171.900 171.900 174.438 -2.538 18520 1823 1 10 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.766 0.234 18520 1824 1 10 . 1 1 34 34 GLY H H 34 8.400 8.400 8.621 -0.221 18520 1825 1 10 . 1 1 35 35 LEU N N 35 121.800 121.800 120.358 1.442 18520 1826 1 10 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.542 -0.312 18520 1827 1 10 . 1 1 35 35 LEU C C 35 174.600 174.600 177.808 -3.208 18520 1828 1 10 . 1 1 35 35 LEU CA C 35 54.800 54.800 55.248 -0.448 18520 1829 1 10 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.610 -0.410 18520 1830 1 10 . 1 1 35 35 LEU H H 35 8.050 8.050 8.659 -0.609 18520 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 29 2.343 0.764 2.254 18520 2 1 1 "Average Difference" HA 31 0.249 0.167 0.188 18520 3 1 1 "Average Difference" C 31 3.058 1.782 2.526 18520 4 1 1 "Average Difference" CA 34 1.037 0.318 1.002 18520 5 1 1 "Average Difference" CB 30 0.843 0.266 0.813 18520 6 1 1 "Average Difference" HN 29 0.342 0.077 0.339 18520 7 1 2 "Average Difference" N 29 2.419 0.187 2.455 18520 8 1 2 "Average Difference" HA 31 0.282 0.192 0.210 18520 9 1 2 "Average Difference" C 31 3.055 1.796 2.512 18520 10 1 2 "Average Difference" CA 34 0.963 0.224 0.951 18520 11 1 2 "Average Difference" CB 30 0.699 0.168 0.691 18520 12 1 2 "Average Difference" HN 29 0.373 0.129 0.356 18520 13 1 3 "Average Difference" N 29 2.473 0.548 2.454 18520 14 1 3 "Average Difference" HA 31 0.253 0.173 0.187 18520 15 1 3 "Average Difference" C 31 3.033 1.738 2.527 18520 16 1 3 "Average Difference" CA 34 1.002 0.456 0.905 18520 17 1 3 "Average Difference" CB 30 0.691 0.278 0.643 18520 18 1 3 "Average Difference" HN 29 0.342 0.068 0.341 18520 19 1 4 "Average Difference" N 29 2.434 0.382 2.446 18520 20 1 4 "Average Difference" HA 31 0.244 0.181 0.168 18520 21 1 4 "Average Difference" C 31 3.129 1.771 2.621 18520 22 1 4 "Average Difference" CA 34 0.820 0.308 0.771 18520 23 1 4 "Average Difference" CB 30 0.652 0.257 0.609 18520 24 1 4 "Average Difference" HN 29 0.357 0.118 0.343 18520 25 1 5 "Average Difference" N 29 2.753 0.848 2.665 18520 26 1 5 "Average Difference" HA 31 0.244 0.175 0.173 18520 27 1 5 "Average Difference" C 31 2.866 1.595 2.421 18520 28 1 5 "Average Difference" CA 34 0.981 0.211 0.972 18520 29 1 5 "Average Difference" CB 30 1.009 0.334 0.969 18520 30 1 5 "Average Difference" HN 29 0.358 0.224 0.284 18520 31 1 6 "Average Difference" N 29 2.561 0.056 2.606 18520 32 1 6 "Average Difference" HA 31 0.248 0.190 0.162 18520 33 1 6 "Average Difference" C 31 3.176 1.754 2.692 18520 34 1 6 "Average Difference" CA 34 1.143 0.273 1.127 18520 35 1 6 "Average Difference" CB 30 0.755 0.264 0.719 18520 36 1 6 "Average Difference" HN 29 0.293 0.106 0.278 18520 37 1 7 "Average Difference" N 29 2.784 -0.073 2.832 18520 38 1 7 "Average Difference" HA 31 0.210 0.143 0.157 18520 39 1 7 "Average Difference" C 31 2.952 1.753 2.415 18520 40 1 7 "Average Difference" CA 34 0.886 0.335 0.832 18520 41 1 7 "Average Difference" CB 30 0.798 0.183 0.790 18520 42 1 7 "Average Difference" HN 29 0.397 0.022 0.404 18520 43 1 8 "Average Difference" N 29 2.479 0.319 2.502 18520 44 1 8 "Average Difference" HA 31 0.224 0.149 0.169 18520 45 1 8 "Average Difference" C 31 3.365 1.959 2.782 18520 46 1 8 "Average Difference" CA 34 1.265 0.446 1.202 18520 47 1 8 "Average Difference" CB 30 0.674 0.161 0.666 18520 48 1 8 "Average Difference" HN 29 0.353 0.145 0.327 18520 49 1 9 "Average Difference" N 29 2.254 -0.296 2.274 18520 50 1 9 "Average Difference" HA 31 0.233 0.148 0.183 18520 51 1 9 "Average Difference" C 31 3.058 1.846 2.478 18520 52 1 9 "Average Difference" CA 34 1.164 0.450 1.089 18520 53 1 9 "Average Difference" CB 30 0.656 0.055 0.664 18520 54 1 9 "Average Difference" HN 29 0.316 0.132 0.292 18520 55 1 10 "Average Difference" N 29 2.680 0.545 2.670 18520 56 1 10 "Average Difference" HA 31 0.219 0.154 0.158 18520 57 1 10 "Average Difference" C 31 3.015 1.822 2.442 18520 58 1 10 "Average Difference" CA 34 0.995 0.288 0.967 18520 59 1 10 "Average Difference" CB 30 0.649 0.194 0.630 18520 60 1 10 "Average Difference" HN 29 0.461 0.054 0.466 18520 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18520 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLN N N 2 122.100 122.100 123.573 -1.473 18520 2 1 . 1 1 2 2 GLN HA H 2 4.120 4.120 4.345 -0.225 18520 3 1 . 1 1 2 2 GLN C C 2 173.600 173.600 175.541 -1.941 18520 4 1 . 1 1 2 2 GLN CA C 2 55.700 55.700 55.740 -0.039 18520 5 1 . 1 1 2 2 GLN CB C 2 29.200 29.200 29.646 -0.446 18520 6 1 . 1 1 2 2 GLN H H 2 8.340 8.340 8.385 -0.045 18520 7 1 . 1 1 3 3 HIS N N 3 120.300 120.300 121.514 -1.214 18520 8 1 . 1 1 3 3 HIS HA H 3 4.490 4.490 4.583 -0.093 18520 9 1 . 1 1 3 3 HIS C C 3 173.400 173.400 175.350 -1.950 18520 10 1 . 1 1 3 3 HIS CA C 3 55.700 55.700 56.183 -0.483 18520 11 1 . 1 1 3 3 HIS CB C 3 29.800 29.800 31.158 -1.359 18520 12 1 . 1 1 3 3 HIS H H 3 8.440 8.440 8.444 -0.004 18520 13 1 . 1 1 4 4 GLY N N 4 110.300 110.300 110.269 0.032 18520 14 1 . 1 1 4 4 GLY C C 4 171.900 171.900 173.719 -1.819 18520 15 1 . 1 1 4 4 GLY CA C 4 45.000 45.000 44.706 0.294 18520 16 1 . 1 1 4 4 GLY H H 4 8.370 8.370 8.419 -0.049 18520 17 1 . 1 1 5 5 ARG N N 5 120.800 120.800 120.134 0.666 18520 18 1 . 1 1 5 5 ARG HA H 5 4.240 4.240 4.460 -0.220 18520 19 1 . 1 1 5 5 ARG C C 5 174.700 174.700 177.007 -2.307 18520 20 1 . 1 1 5 5 ARG CA C 5 55.800 55.800 56.462 -0.662 18520 21 1 . 1 1 5 5 ARG CB C 5 30.500 30.500 31.065 -0.565 18520 22 1 . 1 1 5 5 ARG H H 5 8.240 8.240 8.454 -0.214 18520 23 1 . 1 1 6 6 THR N N 6 116.100 116.100 116.064 0.036 18520 24 1 . 1 1 6 6 THR HA H 6 4.120 4.120 4.378 -0.259 18520 25 1 . 1 1 6 6 THR C C 6 172.600 172.600 174.991 -2.391 18520 26 1 . 1 1 6 6 THR CA C 6 61.900 61.900 63.045 -1.145 18520 27 1 . 1 1 6 6 THR CB C 6 69.500 69.500 69.741 -0.241 18520 28 1 . 1 1 6 6 THR H H 6 8.240 8.240 8.378 -0.138 18520 29 1 . 1 1 7 7 GLN N N 7 122.000 122.000 120.607 1.393 18520 30 1 . 1 1 7 7 GLN HA H 7 4.120 4.120 4.304 -0.184 18520 31 1 . 1 1 7 7 GLN C C 7 173.400 173.400 175.813 -2.413 18520 32 1 . 1 1 7 7 GLN CA C 7 55.800 55.800 56.749 -0.949 18520 33 1 . 1 1 7 7 GLN CB C 7 29.300 29.300 29.010 0.290 18520 34 1 . 1 1 7 7 GLN H H 7 8.390 8.390 8.399 -0.009 18520 35 1 . 1 1 8 8 ASP N N 8 121.400 121.400 121.466 -0.066 18520 36 1 . 1 1 8 8 ASP HA H 8 4.380 4.380 4.598 -0.218 18520 37 1 . 1 1 8 8 ASP C C 8 173.700 173.700 176.106 -2.406 18520 38 1 . 1 1 8 8 ASP CA C 8 54.300 54.300 54.954 -0.654 18520 39 1 . 1 1 8 8 ASP CB C 8 40.800 40.800 41.136 -0.336 18520 40 1 . 1 1 8 8 ASP H H 8 8.180 8.180 8.307 -0.127 18520 41 1 . 1 1 9 9 GLU N N 9 120.600 120.600 121.591 -0.991 18520 42 1 . 1 1 9 9 GLU HA H 9 4.140 4.140 4.342 -0.202 18520 43 1 . 1 1 9 9 GLU C C 9 173.700 173.700 175.694 -1.994 18520 44 1 . 1 1 9 9 GLU CA C 9 55.600 55.600 55.808 -0.208 18520 45 1 . 1 1 9 9 GLU CB C 9 30.800 30.800 31.221 -0.421 18520 46 1 . 1 1 9 9 GLU H H 9 8.050 8.050 8.380 -0.330 18520 47 1 . 1 1 10 10 ASN N N 10 124.100 124.100 122.206 1.894 18520 48 1 . 1 1 10 10 ASN HA H 10 4.680 4.680 4.769 -0.089 18520 49 1 . 1 1 10 10 ASN C C 10 172.400 172.400 175.252 -2.852 18520 50 1 . 1 1 10 10 ASN CA C 10 51.900 51.900 51.764 0.136 18520 51 1 . 1 1 10 10 ASN CB C 10 39.400 39.400 38.027 1.372 18520 52 1 . 1 1 10 10 ASN H H 10 8.950 8.950 8.620 0.330 18520 53 1 . 1 1 11 11 PRO HA H 11 4.250 4.250 4.301 -0.051 18520 54 1 . 1 1 11 11 PRO CA C 11 65.000 65.000 65.395 -0.395 18520 55 1 . 1 1 11 11 PRO CB C 11 32.400 32.400 31.988 0.412 18520 56 1 . 1 1 12 12 VAL N N 12 119.100 119.100 118.548 0.552 18520 57 1 . 1 1 12 12 VAL HA H 12 3.600 3.600 3.767 -0.167 18520 58 1 . 1 1 12 12 VAL C C 12 175.300 175.300 178.152 -2.852 18520 59 1 . 1 1 12 12 VAL CA C 12 66.300 66.300 66.032 0.268 18520 60 1 . 1 1 12 12 VAL CB C 12 31.100 31.100 31.438 -0.338 18520 61 1 . 1 1 12 12 VAL H H 12 8.190 8.190 8.059 0.131 18520 62 1 . 1 1 13 13 VAL N N 13 120.000 120.000 120.336 -0.336 18520 63 1 . 1 1 13 13 VAL HA H 13 3.470 3.470 3.625 -0.155 18520 64 1 . 1 1 13 13 VAL C C 13 175.400 175.400 177.914 -2.514 18520 65 1 . 1 1 13 13 VAL CA C 13 66.800 66.800 66.232 0.568 18520 66 1 . 1 1 13 13 VAL CB C 13 31.500 31.500 31.397 0.103 18520 67 1 . 1 1 13 13 VAL H H 13 7.430 7.430 7.713 -0.283 18520 68 1 . 1 1 14 14 HIS N N 14 116.900 116.900 119.358 -2.458 18520 69 1 . 1 1 14 14 HIS HA H 14 3.920 3.920 4.304 -0.384 18520 70 1 . 1 1 14 14 HIS C C 14 174.400 174.400 177.587 -3.187 18520 71 1 . 1 1 14 14 HIS CA C 14 59.700 59.700 59.412 0.288 18520 72 1 . 1 1 14 14 HIS CB C 14 29.300 29.300 29.774 -0.474 18520 73 1 . 1 1 14 14 HIS H H 14 8.320 8.320 8.179 0.141 18520 74 1 . 1 1 15 15 PHE N N 15 118.600 118.600 120.486 -1.886 18520 75 1 . 1 1 15 15 PHE HA H 15 3.970 3.970 4.101 -0.131 18520 76 1 . 1 1 15 15 PHE C C 15 175.200 175.200 177.300 -2.100 18520 77 1 . 1 1 15 15 PHE CA C 15 61.200 61.200 60.749 0.451 18520 78 1 . 1 1 15 15 PHE CB C 15 39.000 39.000 38.467 0.533 18520 79 1 . 1 1 15 15 PHE H H 15 7.770 7.770 8.227 -0.457 18520 80 1 . 1 1 16 16 PHE N N 16 116.500 116.500 119.508 -3.009 18520 81 1 . 1 1 16 16 PHE HA H 16 3.920 3.920 3.918 0.002 18520 82 1 . 1 1 16 16 PHE C C 16 175.500 175.500 177.221 -1.721 18520 83 1 . 1 1 16 16 PHE CA C 16 61.700 61.700 61.687 0.013 18520 84 1 . 1 1 16 16 PHE CB C 16 39.200 39.200 39.111 0.089 18520 85 1 . 1 1 16 16 PHE H H 16 7.890 7.890 8.379 -0.489 18520 86 1 . 1 1 17 17 LYS N N 17 117.900 117.900 118.301 -0.401 18520 87 1 . 1 1 17 17 LYS HA H 17 3.700 3.700 3.778 -0.078 18520 88 1 . 1 1 17 17 LYS C C 17 175.900 175.900 178.893 -2.993 18520 89 1 . 1 1 17 17 LYS CA C 17 59.700 59.700 59.517 0.183 18520 90 1 . 1 1 17 17 LYS CB C 17 32.300 32.300 32.175 0.125 18520 91 1 . 1 1 17 17 LYS H H 17 8.430 8.430 8.272 0.158 18520 92 1 . 1 1 18 18 ASN N N 18 115.200 115.200 116.921 -1.721 18520 93 1 . 1 1 18 18 ASN HA H 18 4.270 4.270 4.466 -0.196 18520 94 1 . 1 1 18 18 ASN C C 18 173.900 173.900 176.446 -2.546 18520 95 1 . 1 1 18 18 ASN CA C 18 54.500 54.500 55.364 -0.864 18520 96 1 . 1 1 18 18 ASN CB C 18 38.500 38.500 38.256 0.244 18520 97 1 . 1 1 18 18 ASN H H 18 7.460 7.460 8.009 -0.549 18520 98 1 . 1 1 19 19 ILE N N 19 117.600 117.600 118.018 -0.418 18520 99 1 . 1 1 19 19 ILE HA H 19 3.680 3.680 3.797 -0.117 18520 100 1 . 1 1 19 19 ILE C C 19 173.800 173.800 177.210 -3.410 18520 101 1 . 1 1 19 19 ILE CA C 19 62.900 62.900 63.542 -0.642 18520 102 1 . 1 1 19 19 ILE CB C 19 37.800 37.800 38.487 -0.687 18520 103 1 . 1 1 19 19 ILE H H 19 7.170 7.170 7.314 -0.144 18520 104 1 . 1 1 20 20 VAL N N 20 113.300 113.300 113.925 -0.625 18520 105 1 . 1 1 20 20 VAL HA H 20 3.940 3.940 4.012 -0.072 18520 106 1 . 1 1 20 20 VAL C C 20 173.400 173.400 176.191 -2.791 18520 107 1 . 1 1 20 20 VAL CA C 20 62.200 62.200 63.265 -1.065 18520 108 1 . 1 1 20 20 VAL CB C 20 32.000 32.000 32.350 -0.350 18520 109 1 . 1 1 20 20 VAL H H 20 7.210 7.210 7.446 -0.236 18520 110 1 . 1 1 21 21 THR N N 21 117.300 117.300 115.697 1.603 18520 111 1 . 1 1 21 21 THR HA H 21 4.320 4.320 4.722 -0.402 18520 112 1 . 1 1 21 21 THR C C 21 180.100 180.100 172.357 7.743 18520 113 1 . 1 1 21 21 THR CA C 21 58.200 58.200 58.894 -0.694 18520 114 1 . 1 1 21 21 THR CB C 21 69.500 69.500 69.966 -0.466 18520 115 1 . 1 1 21 21 THR H H 21 7.600 7.600 7.710 -0.110 18520 116 1 . 1 1 22 22 PRO HA H 22 4.240 4.240 4.352 -0.112 18520 117 1 . 1 1 22 22 PRO C C 22 174.800 174.800 176.898 -2.098 18520 118 1 . 1 1 22 22 PRO CA C 22 62.800 62.800 63.350 -0.550 18520 119 1 . 1 1 22 22 PRO CB C 22 31.700 31.700 32.167 -0.467 18520 120 1 . 1 1 23 23 ARG N N 23 121.500 121.500 120.386 1.114 18520 121 1 . 1 1 23 23 ARG HA H 23 4.160 4.160 4.288 -0.128 18520 122 1 . 1 1 23 23 ARG C C 23 174.200 174.200 176.302 -2.102 18520 123 1 . 1 1 23 23 ARG CA C 23 55.800 55.800 56.658 -0.858 18520 124 1 . 1 1 23 23 ARG CB C 23 30.600 30.600 29.846 0.754 18520 125 1 . 1 1 23 23 ARG H H 23 8.440 8.440 8.266 0.174 18520 126 1 . 1 1 24 24 THR N N 24 118.500 118.500 119.523 -1.023 18520 127 1 . 1 1 24 24 THR HA H 24 4.360 4.360 4.521 -0.161 18520 128 1 . 1 1 24 24 THR C C 24 180.200 180.200 173.248 6.952 18520 129 1 . 1 1 24 24 THR CA C 24 59.700 59.700 60.129 -0.429 18520 130 1 . 1 1 24 24 THR CB C 24 69.600 69.600 69.579 0.022 18520 131 1 . 1 1 24 24 THR H H 24 8.150 8.150 8.339 -0.189 18520 132 1 . 1 1 25 25 PRO HA H 25 4.490 4.490 4.578 -0.088 18520 133 1 . 1 1 25 25 PRO CA C 25 61.200 61.200 61.735 -0.535 18520 134 1 . 1 1 25 25 PRO CB C 25 30.500 30.500 31.061 -0.561 18520 135 1 . 1 1 26 26 PRO HA H 26 4.520 4.520 4.459 0.061 18520 136 1 . 1 1 26 26 PRO CA C 26 61.100 61.100 61.623 -0.523 18520 137 1 . 1 1 26 26 PRO CB C 26 30.500 30.500 31.123 -0.623 18520 138 1 . 1 1 27 27 PRO HA H 27 4.250 4.250 4.425 -0.176 18520 139 1 . 1 1 27 27 PRO C C 27 175.000 175.000 176.630 -1.630 18520 140 1 . 1 1 27 27 PRO CA C 27 62.800 62.800 62.734 0.066 18520 141 1 . 1 1 27 27 PRO CB C 27 31.700 31.700 32.271 -0.571 18520 142 1 . 1 1 28 28 SER N N 28 115.800 115.800 116.709 -0.909 18520 143 1 . 1 1 28 28 SER HA H 28 4.210 4.210 4.475 -0.265 18520 144 1 . 1 1 28 28 SER C C 28 172.600 172.600 174.583 -1.983 18520 145 1 . 1 1 28 28 SER CA C 28 58.100 58.100 58.142 -0.042 18520 146 1 . 1 1 28 28 SER CB C 28 63.400 63.400 64.111 -0.711 18520 147 1 . 1 1 28 28 SER H H 28 8.300 8.300 8.382 -0.082 18520 148 1 . 1 1 29 29 GLN N N 29 122.000 122.000 122.841 -0.841 18520 149 1 . 1 1 29 29 GLN HA H 29 4.180 4.180 4.356 -0.176 18520 150 1 . 1 1 29 29 GLN C C 29 174.200 174.200 176.651 -2.451 18520 151 1 . 1 1 29 29 GLN CA C 29 55.700 55.700 56.128 -0.428 18520 152 1 . 1 1 29 29 GLN CB C 29 29.100 29.100 29.883 -0.783 18520 153 1 . 1 1 29 29 GLN H H 29 8.360 8.360 8.619 -0.258 18520 154 1 . 1 1 30 30 GLY N N 30 109.900 109.900 111.717 -1.817 18520 155 1 . 1 1 30 30 GLY C C 30 172.000 172.000 174.339 -2.340 18520 156 1 . 1 1 30 30 GLY CA C 30 45.000 45.000 45.098 -0.098 18520 157 1 . 1 1 30 30 GLY H H 30 8.310 8.310 8.654 -0.344 18520 158 1 . 1 1 31 31 LYS N N 31 120.800 120.800 121.364 -0.564 18520 159 1 . 1 1 31 31 LYS HA H 31 4.140 4.140 4.360 -0.220 18520 160 1 . 1 1 31 31 LYS C C 31 175.100 175.100 177.239 -2.139 18520 161 1 . 1 1 31 31 LYS CA C 31 56.100 56.100 56.442 -0.342 18520 162 1 . 1 1 31 31 LYS CB C 31 32.700 32.700 32.936 -0.236 18520 163 1 . 1 1 31 31 LYS H H 31 8.180 8.180 8.189 -0.009 18520 164 1 . 1 1 32 32 GLY N N 32 109.900 109.900 109.452 0.448 18520 165 1 . 1 1 32 32 GLY C C 32 171.900 171.900 174.853 -2.953 18520 166 1 . 1 1 32 32 GLY CA C 32 45.000 45.000 44.882 0.118 18520 167 1 . 1 1 32 32 GLY H H 32 8.390 8.390 8.389 0.001 18520 168 1 . 1 1 33 33 ARG N N 33 120.600 120.600 120.734 -0.134 18520 169 1 . 1 1 33 33 ARG HA H 33 4.140 4.140 4.304 -0.164 18520 170 1 . 1 1 33 33 ARG C C 33 174.800 174.800 177.395 -2.595 18520 171 1 . 1 1 33 33 ARG CA C 33 55.900 55.900 57.002 -1.102 18520 172 1 . 1 1 33 33 ARG CB C 33 30.300 30.300 30.797 -0.497 18520 173 1 . 1 1 33 33 ARG H H 33 8.190 8.190 8.220 -0.030 18520 174 1 . 1 1 34 34 GLY N N 34 110.000 110.000 108.770 1.230 18520 175 1 . 1 1 34 34 GLY C C 34 171.900 171.900 174.658 -2.758 18520 176 1 . 1 1 34 34 GLY CA C 34 45.000 45.000 45.776 -0.776 18520 177 1 . 1 1 34 34 GLY H H 34 8.400 8.400 8.543 -0.143 18520 178 1 . 1 1 35 35 LEU N N 35 121.800 121.800 120.392 1.408 18520 179 1 . 1 1 35 35 LEU HA H 35 4.230 4.230 4.471 -0.241 18520 180 1 . 1 1 35 35 LEU C C 35 174.600 174.600 177.291 -2.691 18520 181 1 . 1 1 35 35 LEU CA C 35 54.800 54.800 54.953 -0.153 18520 182 1 . 1 1 35 35 LEU CB C 35 42.200 42.200 42.492 -0.292 18520 183 1 . 1 1 35 35 LEU H H 35 8.050 8.050 7.863 0.187 18520 stop_ save_