data_25864 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25864 _Entry.PDB_ID 2N8S 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 25864 _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 4 4 SER N N 4 119.600 119.600 121.440 -1.840 25864 2 1 1 . 1 1 4 4 SER HA H 4 4.758 4.758 4.787 -0.029 25864 3 1 1 . 1 1 4 4 SER CA C 4 56.570 56.570 56.199 0.371 25864 4 1 1 . 1 1 4 4 SER CB C 4 62.730 62.730 63.993 -1.263 25864 5 1 1 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.522 -0.122 25864 6 1 1 . 1 1 5 5 PRO CA C 5 62.900 62.900 63.285 -0.385 25864 7 1 1 . 1 1 5 5 PRO CB C 5 32.160 32.160 31.074 1.086 25864 8 1 1 . 1 1 6 6 LEU N N 6 124.496 124.496 126.225 -1.729 25864 9 1 1 . 1 1 6 6 LEU HA H 6 4.340 4.340 4.792 -0.452 25864 10 1 1 . 1 1 6 6 LEU CA C 6 52.660 52.660 51.281 1.379 25864 11 1 1 . 1 1 6 6 LEU CB C 6 41.655 41.655 43.124 -1.470 25864 12 1 1 . 1 1 7 7 PRO HA H 7 4.808 4.808 4.609 0.199 25864 13 1 1 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.938 -0.738 25864 14 1 1 . 1 1 7 7 PRO CB C 7 30.100 30.100 31.036 -0.936 25864 15 1 1 . 1 1 8 8 PRO HA H 8 4.397 4.397 4.413 -0.016 25864 16 1 1 . 1 1 8 8 PRO CA C 8 64.020 64.020 64.198 -0.178 25864 17 1 1 . 1 1 8 8 PRO CB C 8 32.030 32.030 31.804 0.226 25864 18 1 1 . 1 1 9 9 GLY N N 9 112.160 112.160 111.036 1.124 25864 19 1 1 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.779 0.221 25864 20 1 1 . 1 1 10 10 TRP N N 10 119.103 119.103 122.141 -3.038 25864 21 1 1 . 1 1 10 10 TRP HA H 10 5.290 5.290 4.923 0.367 25864 22 1 1 . 1 1 10 10 TRP CA C 10 56.400 56.400 57.742 -1.342 25864 23 1 1 . 1 1 10 10 TRP CB C 10 32.500 32.500 30.879 1.621 25864 24 1 1 . 1 1 11 11 GLU N N 11 121.875 121.875 118.912 2.963 25864 25 1 1 . 1 1 11 11 GLU HA H 11 4.728 4.728 4.854 -0.126 25864 26 1 1 . 1 1 11 11 GLU CA C 11 54.910 54.910 54.456 0.454 25864 27 1 1 . 1 1 11 11 GLU CB C 11 34.400 34.400 33.409 0.991 25864 28 1 1 . 1 1 12 12 GLU N N 12 126.047 126.047 124.077 1.970 25864 29 1 1 . 1 1 12 12 GLU HA H 12 4.492 4.492 3.641 0.851 25864 30 1 1 . 1 1 12 12 GLU CA C 12 55.200 55.200 56.365 -1.165 25864 31 1 1 . 1 1 12 12 GLU CB C 12 32.100 32.100 29.898 2.202 25864 32 1 1 . 1 1 13 13 ARG N N 13 127.239 127.239 123.697 3.542 25864 33 1 1 . 1 1 13 13 ARG HA H 13 4.398 4.398 4.395 0.003 25864 34 1 1 . 1 1 13 13 ARG CA C 13 53.700 53.700 53.465 0.235 25864 35 1 1 . 1 1 13 13 ARG CB C 13 34.450 34.450 33.354 1.096 25864 36 1 1 . 1 1 14 14 GLN N N 14 116.920 116.920 117.610 -0.690 25864 37 1 1 . 1 1 14 14 GLN HA H 14 5.388 5.388 4.586 0.802 25864 38 1 1 . 1 1 14 14 GLN CA C 14 54.500 54.500 54.221 0.279 25864 39 1 1 . 1 1 14 14 GLN CB C 14 32.500 32.500 32.128 0.372 25864 40 1 1 . 1 1 15 15 ASP N N 15 124.757 124.757 120.285 4.472 25864 41 1 1 . 1 1 15 15 ASP HA H 15 4.924 4.924 4.848 0.076 25864 42 1 1 . 1 1 15 15 ASP CA C 15 52.200 52.200 52.301 -0.101 25864 43 1 1 . 1 1 15 15 ASP CB C 15 41.600 41.600 41.783 -0.183 25864 44 1 1 . 1 1 16 16 VAL N N 16 116.200 116.200 117.295 -1.095 25864 45 1 1 . 1 1 16 16 VAL HA H 16 4.060 4.060 3.875 0.185 25864 46 1 1 . 1 1 16 16 VAL CA C 16 64.400 64.400 64.512 -0.112 25864 47 1 1 . 1 1 16 16 VAL CB C 16 31.700 31.700 31.516 0.184 25864 48 1 1 . 1 1 17 17 LEU N N 17 122.200 122.200 119.169 3.031 25864 49 1 1 . 1 1 17 17 LEU HA H 17 4.460 4.460 4.252 0.208 25864 50 1 1 . 1 1 17 17 LEU CA C 17 54.500 54.500 55.705 -1.205 25864 51 1 1 . 1 1 17 17 LEU CB C 17 42.000 42.000 42.472 -0.472 25864 52 1 1 . 1 1 18 18 GLY N N 18 110.115 110.115 105.018 5.097 25864 53 1 1 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.659 0.741 25864 54 1 1 . 1 1 19 19 ARG N N 19 124.176 124.176 122.832 1.344 25864 55 1 1 . 1 1 19 19 ARG HA H 19 4.480 4.480 4.084 0.396 25864 56 1 1 . 1 1 19 19 ARG CA C 19 56.100 56.100 55.545 0.554 25864 57 1 1 . 1 1 19 19 ARG CB C 19 31.000 31.000 29.422 1.578 25864 58 1 1 . 1 1 20 20 THR N N 20 122.884 122.884 121.854 1.030 25864 59 1 1 . 1 1 20 20 THR HA H 20 4.923 4.923 4.281 0.642 25864 60 1 1 . 1 1 20 20 THR CA C 20 63.300 63.300 62.196 1.104 25864 61 1 1 . 1 1 20 20 THR CB C 20 70.100 70.100 68.646 1.454 25864 62 1 1 . 1 1 21 21 TYR N N 21 124.950 124.950 125.697 -0.747 25864 63 1 1 . 1 1 21 21 TYR HA H 21 4.600 4.600 5.134 -0.534 25864 64 1 1 . 1 1 21 21 TYR CA C 21 55.300 55.300 54.702 0.598 25864 65 1 1 . 1 1 21 21 TYR CB C 21 38.990 38.990 40.108 -1.117 25864 66 1 1 . 1 1 22 22 TYR N N 22 117.171 117.171 121.584 -4.413 25864 67 1 1 . 1 1 22 22 TYR HA H 22 5.390 5.390 5.136 0.254 25864 68 1 1 . 1 1 22 22 TYR CA C 22 56.800 56.800 57.175 -0.375 25864 69 1 1 . 1 1 22 22 TYR CB C 22 42.000 42.000 40.842 1.158 25864 70 1 1 . 1 1 23 23 VAL N N 23 121.094 121.094 118.763 2.331 25864 71 1 1 . 1 1 23 23 VAL HA H 23 5.160 5.160 4.823 0.337 25864 72 1 1 . 1 1 23 23 VAL CA C 23 59.470 59.470 60.350 -0.880 25864 73 1 1 . 1 1 23 23 VAL CB C 23 35.960 35.960 36.091 -0.131 25864 74 1 1 . 1 1 24 24 ASN N N 24 127.615 127.615 125.803 1.812 25864 75 1 1 . 1 1 24 24 ASN HA H 24 4.500 4.500 4.847 -0.347 25864 76 1 1 . 1 1 24 24 ASN CA C 24 51.100 51.100 50.753 0.347 25864 77 1 1 . 1 1 24 24 ASN CB C 24 37.900 37.900 38.845 -0.945 25864 78 1 1 . 1 1 25 25 HIS N N 25 125.650 125.650 125.223 0.427 25864 79 1 1 . 1 1 25 25 HIS HA H 25 4.183 4.183 4.362 -0.179 25864 80 1 1 . 1 1 25 25 HIS CA C 25 59.200 59.200 59.045 0.155 25864 81 1 1 . 1 1 25 25 HIS CB C 25 30.640 30.640 30.339 0.301 25864 82 1 1 . 1 1 26 26 GLU N N 26 121.083 121.083 120.102 0.981 25864 83 1 1 . 1 1 26 26 GLU HA H 26 4.040 4.040 4.133 -0.093 25864 84 1 1 . 1 1 26 26 GLU CA C 26 58.780 58.780 58.990 -0.210 25864 85 1 1 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.672 -0.172 25864 86 1 1 . 1 1 27 27 SER N N 27 113.187 113.187 111.763 1.424 25864 87 1 1 . 1 1 27 27 SER HA H 27 4.340 4.340 4.416 -0.076 25864 88 1 1 . 1 1 27 27 SER CA C 27 58.000 58.000 57.743 0.257 25864 89 1 1 . 1 1 27 27 SER CB C 27 64.000 64.000 63.642 0.358 25864 90 1 1 . 1 1 28 28 ARG N N 28 120.515 120.515 118.297 2.218 25864 91 1 1 . 1 1 28 28 ARG HA H 28 3.830 3.830 3.980 -0.150 25864 92 1 1 . 1 1 28 28 ARG CA C 28 57.000 57.000 57.146 -0.146 25864 93 1 1 . 1 1 28 28 ARG CB C 28 26.500 26.500 27.065 -0.565 25864 94 1 1 . 1 1 29 29 THR N N 29 114.678 114.678 115.080 -0.402 25864 95 1 1 . 1 1 29 29 THR HA H 29 4.560 4.560 4.229 0.331 25864 96 1 1 . 1 1 29 29 THR CA C 29 61.700 61.700 63.112 -1.413 25864 97 1 1 . 1 1 29 29 THR CB C 29 70.870 70.870 69.413 1.457 25864 98 1 1 . 1 1 30 30 THR N N 30 120.059 120.059 118.187 1.872 25864 99 1 1 . 1 1 30 30 THR HA H 30 5.460 5.460 5.315 0.145 25864 100 1 1 . 1 1 30 30 THR CA C 30 60.600 60.600 60.113 0.487 25864 101 1 1 . 1 1 30 30 THR CB C 30 71.250 71.250 70.675 0.575 25864 102 1 1 . 1 1 31 31 GLN N N 31 120.513 120.513 124.074 -3.561 25864 103 1 1 . 1 1 31 31 GLN HA H 31 4.880 4.880 4.901 -0.021 25864 104 1 1 . 1 1 31 31 GLN CA C 31 54.500 54.500 54.700 -0.200 25864 105 1 1 . 1 1 31 31 GLN CB C 31 32.300 32.300 32.663 -0.362 25864 106 1 1 . 1 1 32 32 TRP N N 32 121.733 121.733 127.767 -6.034 25864 107 1 1 . 1 1 32 32 TRP HA H 32 4.880 4.880 4.801 0.079 25864 108 1 1 . 1 1 32 32 TRP CA C 32 58.700 58.700 59.220 -0.520 25864 109 1 1 . 1 1 32 32 TRP CB C 32 30.200 30.200 30.578 -0.378 25864 110 1 1 . 1 1 33 33 LYS N N 33 120.387 120.387 116.513 3.874 25864 111 1 1 . 1 1 33 33 LYS HA H 33 4.340 4.340 4.643 -0.303 25864 112 1 1 . 1 1 33 33 LYS CA C 33 55.300 55.300 54.049 1.251 25864 113 1 1 . 1 1 33 33 LYS CB C 33 33.680 33.680 33.483 0.197 25864 114 1 1 . 1 1 34 34 ARG N N 34 129.060 129.060 120.245 8.815 25864 115 1 1 . 1 1 34 34 ARG HA H 34 2.720 2.720 3.585 -0.865 25864 116 1 1 . 1 1 34 34 ARG CA C 34 54.500 54.500 53.549 0.951 25864 117 1 1 . 1 1 34 34 ARG CB C 34 30.000 30.000 29.499 0.501 25864 118 1 1 . 1 1 35 35 PRO HA H 35 3.840 3.840 4.079 -0.239 25864 119 1 1 . 1 1 35 35 PRO CA C 35 62.060 62.060 62.302 -0.242 25864 120 1 1 . 1 1 35 35 PRO CB C 35 30.940 30.940 30.983 -0.042 25864 121 1 1 . 1 1 36 36 SER N N 36 119.037 119.037 121.295 -2.258 25864 122 1 1 . 1 1 36 36 SER HA H 36 4.657 4.657 4.384 0.273 25864 123 1 1 . 1 1 36 36 SER CA C 36 56.100 56.100 57.214 -1.114 25864 124 1 1 . 1 1 36 36 SER CB C 36 64.000 64.000 63.110 0.890 25864 125 1 1 . 1 1 37 37 PRO HA H 37 4.300 4.300 4.425 -0.125 25864 126 1 1 . 1 1 37 37 PRO CA C 37 64.050 64.050 63.422 0.628 25864 127 1 1 . 1 1 37 37 PRO CB C 37 32.150 32.150 31.885 0.265 25864 128 1 1 . 1 1 38 38 GLU N N 38 119.617 119.617 119.266 0.351 25864 129 1 1 . 1 1 38 38 GLU HA H 38 4.290 4.290 4.269 0.021 25864 130 1 1 . 1 1 38 38 GLU CA C 38 56.440 56.440 55.619 0.821 25864 131 1 1 . 1 1 38 38 GLU CB C 38 30.270 30.270 28.154 2.116 25864 132 1 2 . 1 1 4 4 SER N N 4 119.600 119.600 116.711 2.889 25864 133 1 2 . 1 1 4 4 SER HA H 4 4.758 4.758 4.785 -0.027 25864 134 1 2 . 1 1 4 4 SER CA C 4 56.570 56.570 55.760 0.810 25864 135 1 2 . 1 1 4 4 SER CB C 4 62.730 62.730 63.924 -1.194 25864 136 1 2 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.414 -0.014 25864 137 1 2 . 1 1 5 5 PRO CA C 5 62.900 62.900 63.072 -0.172 25864 138 1 2 . 1 1 5 5 PRO CB C 5 32.160 32.160 31.863 0.297 25864 139 1 2 . 1 1 6 6 LEU N N 6 124.496 124.496 126.150 -1.654 25864 140 1 2 . 1 1 6 6 LEU HA H 6 4.340 4.340 4.368 -0.028 25864 141 1 2 . 1 1 6 6 LEU CA C 6 52.660 52.660 52.908 -0.248 25864 142 1 2 . 1 1 6 6 LEU CB C 6 41.655 41.655 41.765 -0.110 25864 143 1 2 . 1 1 7 7 PRO HA H 7 4.808 4.808 4.591 0.217 25864 144 1 2 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.618 -0.418 25864 145 1 2 . 1 1 7 7 PRO CB C 7 30.100 30.100 31.102 -1.002 25864 146 1 2 . 1 1 8 8 PRO HA H 8 4.397 4.397 4.417 -0.020 25864 147 1 2 . 1 1 8 8 PRO CA C 8 64.020 64.020 64.231 -0.211 25864 148 1 2 . 1 1 8 8 PRO CB C 8 32.030 32.030 31.763 0.267 25864 149 1 2 . 1 1 9 9 GLY N N 9 112.160 112.160 111.204 0.956 25864 150 1 2 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.857 0.143 25864 151 1 2 . 1 1 10 10 TRP N N 10 119.103 119.103 123.797 -4.694 25864 152 1 2 . 1 1 10 10 TRP HA H 10 5.290 5.290 4.902 0.388 25864 153 1 2 . 1 1 10 10 TRP CA C 10 56.400 56.400 57.665 -1.265 25864 154 1 2 . 1 1 10 10 TRP CB C 10 32.500 32.500 29.286 3.214 25864 155 1 2 . 1 1 11 11 GLU N N 11 121.875 121.875 124.015 -2.140 25864 156 1 2 . 1 1 11 11 GLU HA H 11 4.728 4.728 4.738 -0.010 25864 157 1 2 . 1 1 11 11 GLU CA C 11 54.910 54.910 54.488 0.422 25864 158 1 2 . 1 1 11 11 GLU CB C 11 34.400 34.400 32.260 2.140 25864 159 1 2 . 1 1 12 12 GLU N N 12 126.047 126.047 125.611 0.436 25864 160 1 2 . 1 1 12 12 GLU HA H 12 4.492 4.492 4.392 0.100 25864 161 1 2 . 1 1 12 12 GLU CA C 12 55.200 55.200 56.668 -1.468 25864 162 1 2 . 1 1 12 12 GLU CB C 12 32.100 32.100 30.485 1.615 25864 163 1 2 . 1 1 13 13 ARG N N 13 127.239 127.239 125.467 1.772 25864 164 1 2 . 1 1 13 13 ARG HA H 13 4.398 4.398 4.537 -0.139 25864 165 1 2 . 1 1 13 13 ARG CA C 13 53.700 53.700 53.666 0.034 25864 166 1 2 . 1 1 13 13 ARG CB C 13 34.450 34.450 34.056 0.394 25864 167 1 2 . 1 1 14 14 GLN N N 14 116.920 116.920 120.257 -3.337 25864 168 1 2 . 1 1 14 14 GLN HA H 14 5.388 5.388 4.463 0.925 25864 169 1 2 . 1 1 14 14 GLN CA C 14 54.500 54.500 54.539 -0.039 25864 170 1 2 . 1 1 14 14 GLN CB C 14 32.500 32.500 30.224 2.276 25864 171 1 2 . 1 1 15 15 ASP N N 15 124.757 124.757 121.312 3.445 25864 172 1 2 . 1 1 15 15 ASP HA H 15 4.924 4.924 4.798 0.126 25864 173 1 2 . 1 1 15 15 ASP CA C 15 52.200 52.200 53.331 -1.131 25864 174 1 2 . 1 1 15 15 ASP CB C 15 41.600 41.600 43.074 -1.474 25864 175 1 2 . 1 1 16 16 VAL N N 16 116.200 116.200 120.692 -4.492 25864 176 1 2 . 1 1 16 16 VAL HA H 16 4.060 4.060 3.951 0.109 25864 177 1 2 . 1 1 16 16 VAL CA C 16 64.400 64.400 64.346 0.054 25864 178 1 2 . 1 1 16 16 VAL CB C 16 31.700 31.700 32.040 -0.340 25864 179 1 2 . 1 1 17 17 LEU N N 17 122.200 122.200 120.270 1.930 25864 180 1 2 . 1 1 17 17 LEU HA H 17 4.460 4.460 4.327 0.133 25864 181 1 2 . 1 1 17 17 LEU CA C 17 54.500 54.500 56.083 -1.583 25864 182 1 2 . 1 1 17 17 LEU CB C 17 42.000 42.000 42.557 -0.557 25864 183 1 2 . 1 1 18 18 GLY N N 18 110.115 110.115 104.430 5.685 25864 184 1 2 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.650 0.750 25864 185 1 2 . 1 1 19 19 ARG N N 19 124.176 124.176 123.546 0.630 25864 186 1 2 . 1 1 19 19 ARG HA H 19 4.480 4.480 4.047 0.433 25864 187 1 2 . 1 1 19 19 ARG CA C 19 56.100 56.100 56.481 -0.381 25864 188 1 2 . 1 1 19 19 ARG CB C 19 31.000 31.000 29.642 1.358 25864 189 1 2 . 1 1 20 20 THR N N 20 122.884 122.884 121.957 0.927 25864 190 1 2 . 1 1 20 20 THR HA H 20 4.923 4.923 4.586 0.337 25864 191 1 2 . 1 1 20 20 THR CA C 20 63.300 63.300 62.706 0.594 25864 192 1 2 . 1 1 20 20 THR CB C 20 70.100 70.100 68.884 1.216 25864 193 1 2 . 1 1 21 21 TYR N N 21 124.950 124.950 126.713 -1.763 25864 194 1 2 . 1 1 21 21 TYR HA H 21 4.600 4.600 3.440 1.160 25864 195 1 2 . 1 1 21 21 TYR CA C 21 55.300 55.300 55.491 -0.191 25864 196 1 2 . 1 1 21 21 TYR CB C 21 38.990 38.990 38.840 0.150 25864 197 1 2 . 1 1 22 22 TYR N N 22 117.171 117.171 114.331 2.840 25864 198 1 2 . 1 1 22 22 TYR HA H 22 5.390 5.390 5.384 0.006 25864 199 1 2 . 1 1 22 22 TYR CA C 22 56.800 56.800 55.940 0.860 25864 200 1 2 . 1 1 22 22 TYR CB C 22 42.000 42.000 42.036 -0.036 25864 201 1 2 . 1 1 23 23 VAL N N 23 121.094 121.094 120.180 0.914 25864 202 1 2 . 1 1 23 23 VAL HA H 23 5.160 5.160 4.757 0.403 25864 203 1 2 . 1 1 23 23 VAL CA C 23 59.470 59.470 59.078 0.392 25864 204 1 2 . 1 1 23 23 VAL CB C 23 35.960 35.960 35.186 0.774 25864 205 1 2 . 1 1 24 24 ASN N N 24 127.615 127.615 127.488 0.127 25864 206 1 2 . 1 1 24 24 ASN HA H 24 4.500 4.500 4.193 0.307 25864 207 1 2 . 1 1 24 24 ASN CA C 24 51.100 51.100 52.720 -1.620 25864 208 1 2 . 1 1 24 24 ASN CB C 24 37.900 37.900 38.085 -0.185 25864 209 1 2 . 1 1 25 25 HIS N N 25 125.650 125.650 126.518 -0.868 25864 210 1 2 . 1 1 25 25 HIS HA H 25 4.183 4.183 4.281 -0.098 25864 211 1 2 . 1 1 25 25 HIS CA C 25 59.200 59.200 58.474 0.726 25864 212 1 2 . 1 1 25 25 HIS CB C 25 30.640 30.640 30.239 0.401 25864 213 1 2 . 1 1 26 26 GLU N N 26 121.083 121.083 119.612 1.471 25864 214 1 2 . 1 1 26 26 GLU HA H 26 4.040 4.040 4.234 -0.194 25864 215 1 2 . 1 1 26 26 GLU CA C 26 58.780 58.780 57.286 1.494 25864 216 1 2 . 1 1 26 26 GLU CB C 26 29.500 29.500 30.021 -0.521 25864 217 1 2 . 1 1 27 27 SER N N 27 113.187 113.187 113.430 -0.243 25864 218 1 2 . 1 1 27 27 SER HA H 27 4.340 4.340 4.499 -0.159 25864 219 1 2 . 1 1 27 27 SER CA C 27 58.000 58.000 57.667 0.333 25864 220 1 2 . 1 1 27 27 SER CB C 27 64.000 64.000 63.949 0.051 25864 221 1 2 . 1 1 28 28 ARG N N 28 120.515 120.515 116.559 3.956 25864 222 1 2 . 1 1 28 28 ARG HA H 28 3.830 3.830 3.878 -0.048 25864 223 1 2 . 1 1 28 28 ARG CA C 28 57.000 57.000 56.897 0.103 25864 224 1 2 . 1 1 28 28 ARG CB C 28 26.500 26.500 26.516 -0.016 25864 225 1 2 . 1 1 29 29 THR N N 29 114.678 114.678 116.648 -1.970 25864 226 1 2 . 1 1 29 29 THR HA H 29 4.560 4.560 4.422 0.138 25864 227 1 2 . 1 1 29 29 THR CA C 29 61.700 61.700 62.969 -1.269 25864 228 1 2 . 1 1 29 29 THR CB C 29 70.870 70.870 70.277 0.593 25864 229 1 2 . 1 1 30 30 THR N N 30 120.059 120.059 124.084 -4.025 25864 230 1 2 . 1 1 30 30 THR HA H 30 5.460 5.460 5.021 0.439 25864 231 1 2 . 1 1 30 30 THR CA C 30 60.600 60.600 61.874 -1.274 25864 232 1 2 . 1 1 30 30 THR CB C 30 71.250 71.250 69.729 1.521 25864 233 1 2 . 1 1 31 31 GLN N N 31 120.513 120.513 127.313 -6.800 25864 234 1 2 . 1 1 31 31 GLN HA H 31 4.880 4.880 4.764 0.116 25864 235 1 2 . 1 1 31 31 GLN CA C 31 54.500 54.500 54.416 0.083 25864 236 1 2 . 1 1 31 31 GLN CB C 31 32.300 32.300 32.784 -0.484 25864 237 1 2 . 1 1 32 32 TRP N N 32 121.733 121.733 125.887 -4.154 25864 238 1 2 . 1 1 32 32 TRP HA H 32 4.880 4.880 5.009 -0.129 25864 239 1 2 . 1 1 32 32 TRP CA C 32 58.700 58.700 55.919 2.781 25864 240 1 2 . 1 1 32 32 TRP CB C 32 30.200 30.200 29.844 0.356 25864 241 1 2 . 1 1 33 33 LYS N N 33 120.387 120.387 120.746 -0.359 25864 242 1 2 . 1 1 33 33 LYS HA H 33 4.340 4.340 4.673 -0.333 25864 243 1 2 . 1 1 33 33 LYS CA C 33 55.300 55.300 54.942 0.358 25864 244 1 2 . 1 1 33 33 LYS CB C 33 33.680 33.680 34.892 -1.212 25864 245 1 2 . 1 1 34 34 ARG N N 34 129.060 129.060 125.190 3.870 25864 246 1 2 . 1 1 34 34 ARG HA H 34 2.720 2.720 4.017 -1.297 25864 247 1 2 . 1 1 34 34 ARG CA C 34 54.500 54.500 54.617 -0.117 25864 248 1 2 . 1 1 34 34 ARG CB C 34 30.000 30.000 29.760 0.240 25864 249 1 2 . 1 1 35 35 PRO HA H 35 3.840 3.840 4.141 -0.301 25864 250 1 2 . 1 1 35 35 PRO CA C 35 62.060 62.060 62.354 -0.294 25864 251 1 2 . 1 1 35 35 PRO CB C 35 30.940 30.940 31.475 -0.535 25864 252 1 2 . 1 1 36 36 SER N N 36 119.037 119.037 120.608 -1.571 25864 253 1 2 . 1 1 36 36 SER HA H 36 4.657 4.657 4.434 0.224 25864 254 1 2 . 1 1 36 36 SER CA C 36 56.100 56.100 56.968 -0.868 25864 255 1 2 . 1 1 36 36 SER CB C 36 64.000 64.000 63.040 0.960 25864 256 1 2 . 1 1 37 37 PRO HA H 37 4.300 4.300 4.412 -0.112 25864 257 1 2 . 1 1 37 37 PRO CA C 37 64.050 64.050 63.162 0.888 25864 258 1 2 . 1 1 37 37 PRO CB C 37 32.150 32.150 30.880 1.270 25864 259 1 2 . 1 1 38 38 GLU N N 38 119.617 119.617 119.778 -0.161 25864 260 1 2 . 1 1 38 38 GLU HA H 38 4.290 4.290 4.400 -0.110 25864 261 1 2 . 1 1 38 38 GLU CA C 38 56.440 56.440 55.202 1.238 25864 262 1 2 . 1 1 38 38 GLU CB C 38 30.270 30.270 28.908 1.362 25864 263 1 3 . 1 1 4 4 SER N N 4 119.600 119.600 121.449 -1.849 25864 264 1 3 . 1 1 4 4 SER HA H 4 4.758 4.758 4.656 0.102 25864 265 1 3 . 1 1 4 4 SER CA C 4 56.570 56.570 55.911 0.659 25864 266 1 3 . 1 1 4 4 SER CB C 4 62.730 62.730 62.940 -0.210 25864 267 1 3 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.377 0.023 25864 268 1 3 . 1 1 5 5 PRO CA C 5 62.900 62.900 63.334 -0.434 25864 269 1 3 . 1 1 5 5 PRO CB C 5 32.160 32.160 31.197 0.963 25864 270 1 3 . 1 1 6 6 LEU N N 6 124.496 124.496 126.755 -2.259 25864 271 1 3 . 1 1 6 6 LEU HA H 6 4.340 4.340 4.561 -0.221 25864 272 1 3 . 1 1 6 6 LEU CA C 6 52.660 52.660 52.254 0.406 25864 273 1 3 . 1 1 6 6 LEU CB C 6 41.655 41.655 42.686 -1.031 25864 274 1 3 . 1 1 7 7 PRO HA H 7 4.808 4.808 4.736 0.072 25864 275 1 3 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.542 -0.342 25864 276 1 3 . 1 1 7 7 PRO CB C 7 30.100 30.100 31.295 -1.195 25864 277 1 3 . 1 1 8 8 PRO HA H 8 4.397 4.397 4.251 0.146 25864 278 1 3 . 1 1 8 8 PRO CA C 8 64.020 64.020 64.051 -0.031 25864 279 1 3 . 1 1 8 8 PRO CB C 8 32.030 32.030 31.430 0.600 25864 280 1 3 . 1 1 9 9 GLY N N 9 112.160 112.160 110.506 1.654 25864 281 1 3 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.574 0.426 25864 282 1 3 . 1 1 10 10 TRP N N 10 119.103 119.103 123.107 -4.004 25864 283 1 3 . 1 1 10 10 TRP HA H 10 5.290 5.290 4.903 0.387 25864 284 1 3 . 1 1 10 10 TRP CA C 10 56.400 56.400 57.688 -1.288 25864 285 1 3 . 1 1 10 10 TRP CB C 10 32.500 32.500 29.554 2.946 25864 286 1 3 . 1 1 11 11 GLU N N 11 121.875 121.875 123.855 -1.980 25864 287 1 3 . 1 1 11 11 GLU HA H 11 4.728 4.728 4.775 -0.047 25864 288 1 3 . 1 1 11 11 GLU CA C 11 54.910 54.910 54.446 0.464 25864 289 1 3 . 1 1 11 11 GLU CB C 11 34.400 34.400 32.404 1.996 25864 290 1 3 . 1 1 12 12 GLU N N 12 126.047 126.047 123.863 2.184 25864 291 1 3 . 1 1 12 12 GLU HA H 12 4.492 4.492 3.848 0.644 25864 292 1 3 . 1 1 12 12 GLU CA C 12 55.200 55.200 55.816 -0.617 25864 293 1 3 . 1 1 12 12 GLU CB C 12 32.100 32.100 29.805 2.295 25864 294 1 3 . 1 1 13 13 ARG N N 13 127.239 127.239 125.082 2.157 25864 295 1 3 . 1 1 13 13 ARG HA H 13 4.398 4.398 4.444 -0.046 25864 296 1 3 . 1 1 13 13 ARG CA C 13 53.700 53.700 53.067 0.633 25864 297 1 3 . 1 1 13 13 ARG CB C 13 34.450 34.450 32.838 1.612 25864 298 1 3 . 1 1 14 14 GLN N N 14 116.920 116.920 119.771 -2.851 25864 299 1 3 . 1 1 14 14 GLN HA H 14 5.388 5.388 4.695 0.693 25864 300 1 3 . 1 1 14 14 GLN CA C 14 54.500 54.500 54.713 -0.213 25864 301 1 3 . 1 1 14 14 GLN CB C 14 32.500 32.500 30.812 1.688 25864 302 1 3 . 1 1 15 15 ASP N N 15 124.757 124.757 125.813 -1.056 25864 303 1 3 . 1 1 15 15 ASP HA H 15 4.924 4.924 4.825 0.099 25864 304 1 3 . 1 1 15 15 ASP CA C 15 52.200 52.200 54.376 -2.176 25864 305 1 3 . 1 1 15 15 ASP CB C 15 41.600 41.600 43.190 -1.589 25864 306 1 3 . 1 1 16 16 VAL N N 16 116.200 116.200 119.287 -3.087 25864 307 1 3 . 1 1 16 16 VAL HA H 16 4.060 4.060 3.928 0.132 25864 308 1 3 . 1 1 16 16 VAL CA C 16 64.400 64.400 64.724 -0.324 25864 309 1 3 . 1 1 16 16 VAL CB C 16 31.700 31.700 31.758 -0.058 25864 310 1 3 . 1 1 17 17 LEU N N 17 122.200 122.200 119.147 3.053 25864 311 1 3 . 1 1 17 17 LEU HA H 17 4.460 4.460 4.280 0.180 25864 312 1 3 . 1 1 17 17 LEU CA C 17 54.500 54.500 55.365 -0.866 25864 313 1 3 . 1 1 17 17 LEU CB C 17 42.000 42.000 41.905 0.095 25864 314 1 3 . 1 1 18 18 GLY N N 18 110.115 110.115 103.806 6.309 25864 315 1 3 . 1 1 18 18 GLY CA C 18 45.400 45.400 45.098 0.302 25864 316 1 3 . 1 1 19 19 ARG N N 19 124.176 124.176 122.346 1.830 25864 317 1 3 . 1 1 19 19 ARG HA H 19 4.480 4.480 4.398 0.082 25864 318 1 3 . 1 1 19 19 ARG CA C 19 56.100 56.100 55.615 0.485 25864 319 1 3 . 1 1 19 19 ARG CB C 19 31.000 31.000 30.371 0.629 25864 320 1 3 . 1 1 20 20 THR N N 20 122.884 122.884 118.247 4.637 25864 321 1 3 . 1 1 20 20 THR HA H 20 4.923 4.923 4.700 0.223 25864 322 1 3 . 1 1 20 20 THR CA C 20 63.300 63.300 62.134 1.166 25864 323 1 3 . 1 1 20 20 THR CB C 20 70.100 70.100 68.629 1.471 25864 324 1 3 . 1 1 21 21 TYR N N 21 124.950 124.950 125.668 -0.718 25864 325 1 3 . 1 1 21 21 TYR HA H 21 4.600 4.600 5.079 -0.479 25864 326 1 3 . 1 1 21 21 TYR CA C 21 55.300 55.300 54.763 0.537 25864 327 1 3 . 1 1 21 21 TYR CB C 21 38.990 38.990 39.241 -0.251 25864 328 1 3 . 1 1 22 22 TYR N N 22 117.171 117.171 123.293 -6.122 25864 329 1 3 . 1 1 22 22 TYR HA H 22 5.390 5.390 5.317 0.073 25864 330 1 3 . 1 1 22 22 TYR CA C 22 56.800 56.800 56.717 0.083 25864 331 1 3 . 1 1 22 22 TYR CB C 22 42.000 42.000 41.248 0.752 25864 332 1 3 . 1 1 23 23 VAL N N 23 121.094 121.094 118.151 2.943 25864 333 1 3 . 1 1 23 23 VAL HA H 23 5.160 5.160 4.631 0.529 25864 334 1 3 . 1 1 23 23 VAL CA C 23 59.470 59.470 59.598 -0.128 25864 335 1 3 . 1 1 23 23 VAL CB C 23 35.960 35.960 34.948 1.012 25864 336 1 3 . 1 1 24 24 ASN N N 24 127.615 127.615 127.146 0.469 25864 337 1 3 . 1 1 24 24 ASN HA H 24 4.500 4.500 4.812 -0.312 25864 338 1 3 . 1 1 24 24 ASN CA C 24 51.100 51.100 51.387 -0.287 25864 339 1 3 . 1 1 24 24 ASN CB C 24 37.900 37.900 39.916 -2.016 25864 340 1 3 . 1 1 25 25 HIS N N 25 125.650 125.650 123.478 2.172 25864 341 1 3 . 1 1 25 25 HIS HA H 25 4.183 4.183 4.259 -0.076 25864 342 1 3 . 1 1 25 25 HIS CA C 25 59.200 59.200 58.675 0.525 25864 343 1 3 . 1 1 25 25 HIS CB C 25 30.640 30.640 30.379 0.261 25864 344 1 3 . 1 1 26 26 GLU N N 26 121.083 121.083 118.411 2.672 25864 345 1 3 . 1 1 26 26 GLU HA H 26 4.040 4.040 4.136 -0.096 25864 346 1 3 . 1 1 26 26 GLU CA C 26 58.780 58.780 58.794 -0.014 25864 347 1 3 . 1 1 26 26 GLU CB C 26 29.500 29.500 30.034 -0.534 25864 348 1 3 . 1 1 27 27 SER N N 27 113.187 113.187 113.934 -0.747 25864 349 1 3 . 1 1 27 27 SER HA H 27 4.340 4.340 4.365 -0.025 25864 350 1 3 . 1 1 27 27 SER CA C 27 58.000 58.000 59.744 -1.744 25864 351 1 3 . 1 1 27 27 SER CB C 27 64.000 64.000 63.173 0.827 25864 352 1 3 . 1 1 28 28 ARG N N 28 120.515 120.515 115.680 4.835 25864 353 1 3 . 1 1 28 28 ARG HA H 28 3.830 3.830 4.001 -0.171 25864 354 1 3 . 1 1 28 28 ARG CA C 28 57.000 57.000 56.843 0.157 25864 355 1 3 . 1 1 28 28 ARG CB C 28 26.500 26.500 27.386 -0.886 25864 356 1 3 . 1 1 29 29 THR N N 29 114.678 114.678 115.337 -0.659 25864 357 1 3 . 1 1 29 29 THR HA H 29 4.560 4.560 4.257 0.303 25864 358 1 3 . 1 1 29 29 THR CA C 29 61.700 61.700 62.676 -0.976 25864 359 1 3 . 1 1 29 29 THR CB C 29 70.870 70.870 69.347 1.523 25864 360 1 3 . 1 1 30 30 THR N N 30 120.059 120.059 119.611 0.448 25864 361 1 3 . 1 1 30 30 THR HA H 30 5.460 5.460 5.072 0.388 25864 362 1 3 . 1 1 30 30 THR CA C 30 60.600 60.600 60.144 0.456 25864 363 1 3 . 1 1 30 30 THR CB C 30 71.250 71.250 70.363 0.887 25864 364 1 3 . 1 1 31 31 GLN N N 31 120.513 120.513 123.923 -3.410 25864 365 1 3 . 1 1 31 31 GLN HA H 31 4.880 4.880 4.548 0.332 25864 366 1 3 . 1 1 31 31 GLN CA C 31 54.500 54.500 55.393 -0.893 25864 367 1 3 . 1 1 31 31 GLN CB C 31 32.300 32.300 32.450 -0.150 25864 368 1 3 . 1 1 32 32 TRP N N 32 121.733 121.733 124.613 -2.880 25864 369 1 3 . 1 1 32 32 TRP HA H 32 4.880 4.880 4.829 0.051 25864 370 1 3 . 1 1 32 32 TRP CA C 32 58.700 58.700 58.596 0.103 25864 371 1 3 . 1 1 32 32 TRP CB C 32 30.200 30.200 30.124 0.076 25864 372 1 3 . 1 1 33 33 LYS N N 33 120.387 120.387 119.838 0.549 25864 373 1 3 . 1 1 33 33 LYS HA H 33 4.340 4.340 4.417 -0.077 25864 374 1 3 . 1 1 33 33 LYS CA C 33 55.300 55.300 55.667 -0.367 25864 375 1 3 . 1 1 33 33 LYS CB C 33 33.680 33.680 33.661 0.019 25864 376 1 3 . 1 1 34 34 ARG N N 34 129.060 129.060 123.968 5.092 25864 377 1 3 . 1 1 34 34 ARG HA H 34 2.720 2.720 3.254 -0.534 25864 378 1 3 . 1 1 34 34 ARG CA C 34 54.500 54.500 54.272 0.229 25864 379 1 3 . 1 1 34 34 ARG CB C 34 30.000 30.000 28.924 1.076 25864 380 1 3 . 1 1 35 35 PRO HA H 35 3.840 3.840 3.799 0.041 25864 381 1 3 . 1 1 35 35 PRO CA C 35 62.060 62.060 62.202 -0.142 25864 382 1 3 . 1 1 35 35 PRO CB C 35 30.940 30.940 31.278 -0.338 25864 383 1 3 . 1 1 36 36 SER N N 36 119.037 119.037 116.831 2.206 25864 384 1 3 . 1 1 36 36 SER HA H 36 4.657 4.657 4.417 0.240 25864 385 1 3 . 1 1 36 36 SER CA C 36 56.100 56.100 56.876 -0.776 25864 386 1 3 . 1 1 36 36 SER CB C 36 64.000 64.000 62.478 1.522 25864 387 1 3 . 1 1 37 37 PRO HA H 37 4.300 4.300 4.504 -0.204 25864 388 1 3 . 1 1 37 37 PRO CA C 37 64.050 64.050 63.046 1.004 25864 389 1 3 . 1 1 37 37 PRO CB C 37 32.150 32.150 31.368 0.782 25864 390 1 3 . 1 1 38 38 GLU N N 38 119.617 119.617 119.654 -0.037 25864 391 1 3 . 1 1 38 38 GLU HA H 38 4.290 4.290 4.267 0.023 25864 392 1 3 . 1 1 38 38 GLU CA C 38 56.440 56.440 55.666 0.774 25864 393 1 3 . 1 1 38 38 GLU CB C 38 30.270 30.270 28.234 2.036 25864 394 1 4 . 1 1 4 4 SER N N 4 119.600 119.600 117.648 1.952 25864 395 1 4 . 1 1 4 4 SER HA H 4 4.758 4.758 4.714 0.044 25864 396 1 4 . 1 1 4 4 SER CA C 4 56.570 56.570 56.054 0.516 25864 397 1 4 . 1 1 4 4 SER CB C 4 62.730 62.730 65.265 -2.535 25864 398 1 4 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.498 -0.098 25864 399 1 4 . 1 1 5 5 PRO CA C 5 62.900 62.900 62.944 -0.044 25864 400 1 4 . 1 1 5 5 PRO CB C 5 32.160 32.160 32.032 0.128 25864 401 1 4 . 1 1 6 6 LEU N N 6 124.496 124.496 125.816 -1.320 25864 402 1 4 . 1 1 6 6 LEU HA H 6 4.340 4.340 4.431 -0.091 25864 403 1 4 . 1 1 6 6 LEU CA C 6 52.660 52.660 52.882 -0.222 25864 404 1 4 . 1 1 6 6 LEU CB C 6 41.655 41.655 41.641 0.014 25864 405 1 4 . 1 1 7 7 PRO HA H 7 4.808 4.808 4.822 -0.014 25864 406 1 4 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.279 -0.078 25864 407 1 4 . 1 1 7 7 PRO CB C 7 30.100 30.100 31.026 -0.926 25864 408 1 4 . 1 1 8 8 PRO HA H 8 4.397 4.397 4.308 0.089 25864 409 1 4 . 1 1 8 8 PRO CA C 8 64.020 64.020 64.094 -0.074 25864 410 1 4 . 1 1 8 8 PRO CB C 8 32.030 32.030 31.521 0.509 25864 411 1 4 . 1 1 9 9 GLY N N 9 112.160 112.160 110.925 1.235 25864 412 1 4 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.809 0.191 25864 413 1 4 . 1 1 10 10 TRP N N 10 119.103 119.103 123.213 -4.110 25864 414 1 4 . 1 1 10 10 TRP HA H 10 5.290 5.290 4.901 0.389 25864 415 1 4 . 1 1 10 10 TRP CA C 10 56.400 56.400 57.641 -1.241 25864 416 1 4 . 1 1 10 10 TRP CB C 10 32.500 32.500 29.737 2.763 25864 417 1 4 . 1 1 11 11 GLU N N 11 121.875 121.875 123.705 -1.830 25864 418 1 4 . 1 1 11 11 GLU HA H 11 4.728 4.728 4.800 -0.072 25864 419 1 4 . 1 1 11 11 GLU CA C 11 54.910 54.910 54.422 0.488 25864 420 1 4 . 1 1 11 11 GLU CB C 11 34.400 34.400 32.518 1.882 25864 421 1 4 . 1 1 12 12 GLU N N 12 126.047 126.047 123.963 2.084 25864 422 1 4 . 1 1 12 12 GLU HA H 12 4.492 4.492 3.514 0.978 25864 423 1 4 . 1 1 12 12 GLU CA C 12 55.200 55.200 56.205 -1.005 25864 424 1 4 . 1 1 12 12 GLU CB C 12 32.100 32.100 29.695 2.405 25864 425 1 4 . 1 1 13 13 ARG N N 13 127.239 127.239 125.468 1.771 25864 426 1 4 . 1 1 13 13 ARG HA H 13 4.398 4.398 4.516 -0.118 25864 427 1 4 . 1 1 13 13 ARG CA C 13 53.700 53.700 53.576 0.124 25864 428 1 4 . 1 1 13 13 ARG CB C 13 34.450 34.450 33.585 0.865 25864 429 1 4 . 1 1 14 14 GLN N N 14 116.920 116.920 119.209 -2.289 25864 430 1 4 . 1 1 14 14 GLN HA H 14 5.388 5.388 4.588 0.800 25864 431 1 4 . 1 1 14 14 GLN CA C 14 54.500 54.500 54.914 -0.414 25864 432 1 4 . 1 1 14 14 GLN CB C 14 32.500 32.500 30.410 2.090 25864 433 1 4 . 1 1 15 15 ASP N N 15 124.757 124.757 123.945 0.812 25864 434 1 4 . 1 1 15 15 ASP HA H 15 4.924 4.924 4.860 0.064 25864 435 1 4 . 1 1 15 15 ASP CA C 15 52.200 52.200 53.529 -1.329 25864 436 1 4 . 1 1 15 15 ASP CB C 15 41.600 41.600 43.578 -1.978 25864 437 1 4 . 1 1 16 16 VAL N N 16 116.200 116.200 121.716 -5.516 25864 438 1 4 . 1 1 16 16 VAL HA H 16 4.060 4.060 3.853 0.207 25864 439 1 4 . 1 1 16 16 VAL CA C 16 64.400 64.400 64.951 -0.551 25864 440 1 4 . 1 1 16 16 VAL CB C 16 31.700 31.700 32.154 -0.454 25864 441 1 4 . 1 1 17 17 LEU N N 17 122.200 122.200 116.963 5.237 25864 442 1 4 . 1 1 17 17 LEU HA H 17 4.460 4.460 4.167 0.293 25864 443 1 4 . 1 1 17 17 LEU CA C 17 54.500 54.500 55.932 -1.432 25864 444 1 4 . 1 1 17 17 LEU CB C 17 42.000 42.000 42.192 -0.192 25864 445 1 4 . 1 1 18 18 GLY N N 18 110.115 110.115 103.545 6.570 25864 446 1 4 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.854 0.546 25864 447 1 4 . 1 1 19 19 ARG N N 19 124.176 124.176 121.876 2.300 25864 448 1 4 . 1 1 19 19 ARG HA H 19 4.480 4.480 4.377 0.103 25864 449 1 4 . 1 1 19 19 ARG CA C 19 56.100 56.100 55.906 0.194 25864 450 1 4 . 1 1 19 19 ARG CB C 19 31.000 31.000 30.292 0.708 25864 451 1 4 . 1 1 20 20 THR N N 20 122.884 122.884 122.088 0.796 25864 452 1 4 . 1 1 20 20 THR HA H 20 4.923 4.923 4.676 0.247 25864 453 1 4 . 1 1 20 20 THR CA C 20 63.300 63.300 62.844 0.455 25864 454 1 4 . 1 1 20 20 THR CB C 20 70.100 70.100 68.736 1.364 25864 455 1 4 . 1 1 21 21 TYR N N 21 124.950 124.950 126.396 -1.446 25864 456 1 4 . 1 1 21 21 TYR HA H 21 4.600 4.600 5.334 -0.734 25864 457 1 4 . 1 1 21 21 TYR CA C 21 55.300 55.300 54.689 0.611 25864 458 1 4 . 1 1 21 21 TYR CB C 21 38.990 38.990 39.995 -1.005 25864 459 1 4 . 1 1 22 22 TYR N N 22 117.171 117.171 120.937 -3.766 25864 460 1 4 . 1 1 22 22 TYR HA H 22 5.390 5.390 5.310 0.080 25864 461 1 4 . 1 1 22 22 TYR CA C 22 56.800 56.800 56.514 0.286 25864 462 1 4 . 1 1 22 22 TYR CB C 22 42.000 42.000 41.534 0.466 25864 463 1 4 . 1 1 23 23 VAL N N 23 121.094 121.094 119.096 1.998 25864 464 1 4 . 1 1 23 23 VAL HA H 23 5.160 5.160 4.752 0.408 25864 465 1 4 . 1 1 23 23 VAL CA C 23 59.470 59.470 59.379 0.091 25864 466 1 4 . 1 1 23 23 VAL CB C 23 35.960 35.960 34.907 1.054 25864 467 1 4 . 1 1 24 24 ASN N N 24 127.615 127.615 127.684 -0.069 25864 468 1 4 . 1 1 24 24 ASN HA H 24 4.500 4.500 4.482 0.018 25864 469 1 4 . 1 1 24 24 ASN CA C 24 51.100 51.100 51.881 -0.781 25864 470 1 4 . 1 1 24 24 ASN CB C 24 37.900 37.900 38.838 -0.938 25864 471 1 4 . 1 1 25 25 HIS N N 25 125.650 125.650 125.665 -0.015 25864 472 1 4 . 1 1 25 25 HIS HA H 25 4.183 4.183 4.226 -0.043 25864 473 1 4 . 1 1 25 25 HIS CA C 25 59.200 59.200 59.173 0.027 25864 474 1 4 . 1 1 25 25 HIS CB C 25 30.640 30.640 30.197 0.443 25864 475 1 4 . 1 1 26 26 GLU N N 26 121.083 121.083 119.965 1.118 25864 476 1 4 . 1 1 26 26 GLU HA H 26 4.040 4.040 4.187 -0.147 25864 477 1 4 . 1 1 26 26 GLU CA C 26 58.780 58.780 58.118 0.662 25864 478 1 4 . 1 1 26 26 GLU CB C 26 29.500 29.500 30.012 -0.511 25864 479 1 4 . 1 1 27 27 SER N N 27 113.187 113.187 113.178 0.009 25864 480 1 4 . 1 1 27 27 SER HA H 27 4.340 4.340 4.509 -0.169 25864 481 1 4 . 1 1 27 27 SER CA C 27 58.000 58.000 57.341 0.659 25864 482 1 4 . 1 1 27 27 SER CB C 27 64.000 64.000 63.553 0.447 25864 483 1 4 . 1 1 28 28 ARG N N 28 120.515 120.515 118.058 2.457 25864 484 1 4 . 1 1 28 28 ARG HA H 28 3.830 3.830 4.058 -0.228 25864 485 1 4 . 1 1 28 28 ARG CA C 28 57.000 57.000 56.858 0.142 25864 486 1 4 . 1 1 28 28 ARG CB C 28 26.500 26.500 26.916 -0.416 25864 487 1 4 . 1 1 29 29 THR N N 29 114.678 114.678 115.810 -1.132 25864 488 1 4 . 1 1 29 29 THR HA H 29 4.560 4.560 4.484 0.076 25864 489 1 4 . 1 1 29 29 THR CA C 29 61.700 61.700 61.691 0.009 25864 490 1 4 . 1 1 29 29 THR CB C 29 70.870 70.870 71.117 -0.247 25864 491 1 4 . 1 1 30 30 THR N N 30 120.059 120.059 118.286 1.773 25864 492 1 4 . 1 1 30 30 THR HA H 30 5.460 5.460 5.177 0.283 25864 493 1 4 . 1 1 30 30 THR CA C 30 60.600 60.600 60.091 0.509 25864 494 1 4 . 1 1 30 30 THR CB C 30 71.250 71.250 70.007 1.243 25864 495 1 4 . 1 1 31 31 GLN N N 31 120.513 120.513 123.735 -3.222 25864 496 1 4 . 1 1 31 31 GLN HA H 31 4.880 4.880 4.662 0.218 25864 497 1 4 . 1 1 31 31 GLN CA C 31 54.500 54.500 54.789 -0.289 25864 498 1 4 . 1 1 31 31 GLN CB C 31 32.300 32.300 32.624 -0.324 25864 499 1 4 . 1 1 32 32 TRP N N 32 121.733 121.733 126.489 -4.756 25864 500 1 4 . 1 1 32 32 TRP HA H 32 4.880 4.880 4.857 0.023 25864 501 1 4 . 1 1 32 32 TRP CA C 32 58.700 58.700 57.869 0.831 25864 502 1 4 . 1 1 32 32 TRP CB C 32 30.200 30.200 30.365 -0.165 25864 503 1 4 . 1 1 33 33 LYS N N 33 120.387 120.387 118.351 2.036 25864 504 1 4 . 1 1 33 33 LYS HA H 33 4.340 4.340 4.636 -0.296 25864 505 1 4 . 1 1 33 33 LYS CA C 33 55.300 55.300 54.707 0.593 25864 506 1 4 . 1 1 33 33 LYS CB C 33 33.680 33.680 33.620 0.061 25864 507 1 4 . 1 1 34 34 ARG N N 34 129.060 129.060 120.236 8.824 25864 508 1 4 . 1 1 34 34 ARG HA H 34 2.720 2.720 3.659 -0.939 25864 509 1 4 . 1 1 34 34 ARG CA C 34 54.500 54.500 53.555 0.945 25864 510 1 4 . 1 1 34 34 ARG CB C 34 30.000 30.000 29.347 0.653 25864 511 1 4 . 1 1 35 35 PRO HA H 35 3.840 3.840 3.844 -0.004 25864 512 1 4 . 1 1 35 35 PRO CA C 35 62.060 62.060 62.385 -0.325 25864 513 1 4 . 1 1 35 35 PRO CB C 35 30.940 30.940 30.758 0.182 25864 514 1 4 . 1 1 36 36 SER N N 36 119.037 119.037 119.770 -0.733 25864 515 1 4 . 1 1 36 36 SER HA H 36 4.657 4.657 4.382 0.275 25864 516 1 4 . 1 1 36 36 SER CA C 36 56.100 56.100 56.837 -0.737 25864 517 1 4 . 1 1 36 36 SER CB C 36 64.000 64.000 62.314 1.686 25864 518 1 4 . 1 1 37 37 PRO HA H 37 4.300 4.300 4.382 -0.082 25864 519 1 4 . 1 1 37 37 PRO CA C 37 64.050 64.050 63.066 0.984 25864 520 1 4 . 1 1 37 37 PRO CB C 37 32.150 32.150 30.025 2.125 25864 521 1 4 . 1 1 38 38 GLU N N 38 119.617 119.617 121.634 -2.017 25864 522 1 4 . 1 1 38 38 GLU HA H 38 4.290 4.290 4.204 0.086 25864 523 1 4 . 1 1 38 38 GLU CA C 38 56.440 56.440 56.643 -0.203 25864 524 1 4 . 1 1 38 38 GLU CB C 38 30.270 30.270 28.208 2.062 25864 525 1 5 . 1 1 4 4 SER N N 4 119.600 119.600 116.957 2.643 25864 526 1 5 . 1 1 4 4 SER HA H 4 4.758 4.758 4.418 0.340 25864 527 1 5 . 1 1 4 4 SER CA C 4 56.570 56.570 60.470 -3.900 25864 528 1 5 . 1 1 4 4 SER CB C 4 62.730 62.730 61.739 0.991 25864 529 1 5 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.351 0.049 25864 530 1 5 . 1 1 5 5 PRO CA C 5 62.900 62.900 63.042 -0.142 25864 531 1 5 . 1 1 5 5 PRO CB C 5 32.160 32.160 31.545 0.615 25864 532 1 5 . 1 1 6 6 LEU N N 6 124.496 124.496 124.621 -0.125 25864 533 1 5 . 1 1 6 6 LEU HA H 6 4.340 4.340 4.732 -0.392 25864 534 1 5 . 1 1 6 6 LEU CA C 6 52.660 52.660 51.569 1.091 25864 535 1 5 . 1 1 6 6 LEU CB C 6 41.655 41.655 40.563 1.092 25864 536 1 5 . 1 1 7 7 PRO HA H 7 4.808 4.808 4.618 0.190 25864 537 1 5 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.746 -0.546 25864 538 1 5 . 1 1 7 7 PRO CB C 7 30.100 30.100 31.008 -0.908 25864 539 1 5 . 1 1 8 8 PRO HA H 8 4.397 4.397 4.383 0.013 25864 540 1 5 . 1 1 8 8 PRO CA C 8 64.020 64.020 64.200 -0.180 25864 541 1 5 . 1 1 8 8 PRO CB C 8 32.030 32.030 31.911 0.119 25864 542 1 5 . 1 1 9 9 GLY N N 9 112.160 112.160 110.579 1.581 25864 543 1 5 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.619 0.381 25864 544 1 5 . 1 1 10 10 TRP N N 10 119.103 119.103 122.816 -3.713 25864 545 1 5 . 1 1 10 10 TRP HA H 10 5.290 5.290 4.804 0.486 25864 546 1 5 . 1 1 10 10 TRP CA C 10 56.400 56.400 57.829 -1.429 25864 547 1 5 . 1 1 10 10 TRP CB C 10 32.500 32.500 29.681 2.819 25864 548 1 5 . 1 1 11 11 GLU N N 11 121.875 121.875 123.447 -1.572 25864 549 1 5 . 1 1 11 11 GLU HA H 11 4.728 4.728 4.684 0.044 25864 550 1 5 . 1 1 11 11 GLU CA C 11 54.910 54.910 54.435 0.475 25864 551 1 5 . 1 1 11 11 GLU CB C 11 34.400 34.400 32.663 1.737 25864 552 1 5 . 1 1 12 12 GLU N N 12 126.047 126.047 123.889 2.158 25864 553 1 5 . 1 1 12 12 GLU HA H 12 4.492 4.492 3.830 0.662 25864 554 1 5 . 1 1 12 12 GLU CA C 12 55.200 55.200 56.189 -0.989 25864 555 1 5 . 1 1 12 12 GLU CB C 12 32.100 32.100 30.003 2.097 25864 556 1 5 . 1 1 13 13 ARG N N 13 127.239 127.239 127.914 -0.675 25864 557 1 5 . 1 1 13 13 ARG HA H 13 4.398 4.398 4.479 -0.081 25864 558 1 5 . 1 1 13 13 ARG CA C 13 53.700 53.700 53.751 -0.051 25864 559 1 5 . 1 1 13 13 ARG CB C 13 34.450 34.450 33.145 1.305 25864 560 1 5 . 1 1 14 14 GLN N N 14 116.920 116.920 121.499 -4.579 25864 561 1 5 . 1 1 14 14 GLN HA H 14 5.388 5.388 4.462 0.926 25864 562 1 5 . 1 1 14 14 GLN CA C 14 54.500 54.500 54.465 0.035 25864 563 1 5 . 1 1 14 14 GLN CB C 14 32.500 32.500 29.901 2.599 25864 564 1 5 . 1 1 15 15 ASP N N 15 124.757 124.757 121.261 3.496 25864 565 1 5 . 1 1 15 15 ASP HA H 15 4.924 4.924 4.981 -0.057 25864 566 1 5 . 1 1 15 15 ASP CA C 15 52.200 52.200 52.871 -0.671 25864 567 1 5 . 1 1 15 15 ASP CB C 15 41.600 41.600 43.541 -1.941 25864 568 1 5 . 1 1 16 16 VAL N N 16 116.200 116.200 120.543 -4.343 25864 569 1 5 . 1 1 16 16 VAL HA H 16 4.060 4.060 3.909 0.151 25864 570 1 5 . 1 1 16 16 VAL CA C 16 64.400 64.400 64.206 0.194 25864 571 1 5 . 1 1 16 16 VAL CB C 16 31.700 31.700 32.116 -0.416 25864 572 1 5 . 1 1 17 17 LEU N N 17 122.200 122.200 118.654 3.546 25864 573 1 5 . 1 1 17 17 LEU HA H 17 4.460 4.460 4.333 0.127 25864 574 1 5 . 1 1 17 17 LEU CA C 17 54.500 54.500 55.368 -0.868 25864 575 1 5 . 1 1 17 17 LEU CB C 17 42.000 42.000 42.346 -0.346 25864 576 1 5 . 1 1 18 18 GLY N N 18 110.115 110.115 104.378 5.737 25864 577 1 5 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.801 0.599 25864 578 1 5 . 1 1 19 19 ARG N N 19 124.176 124.176 122.542 1.634 25864 579 1 5 . 1 1 19 19 ARG HA H 19 4.480 4.480 4.306 0.174 25864 580 1 5 . 1 1 19 19 ARG CA C 19 56.100 56.100 55.123 0.977 25864 581 1 5 . 1 1 19 19 ARG CB C 19 31.000 31.000 29.468 1.532 25864 582 1 5 . 1 1 20 20 THR N N 20 122.884 122.884 123.881 -0.997 25864 583 1 5 . 1 1 20 20 THR HA H 20 4.923 4.923 4.500 0.423 25864 584 1 5 . 1 1 20 20 THR CA C 20 63.300 63.300 63.472 -0.172 25864 585 1 5 . 1 1 20 20 THR CB C 20 70.100 70.100 68.594 1.506 25864 586 1 5 . 1 1 21 21 TYR N N 21 124.950 124.950 126.596 -1.646 25864 587 1 5 . 1 1 21 21 TYR HA H 21 4.600 4.600 5.030 -0.430 25864 588 1 5 . 1 1 21 21 TYR CA C 21 55.300 55.300 55.294 0.006 25864 589 1 5 . 1 1 21 21 TYR CB C 21 38.990 38.990 39.866 -0.876 25864 590 1 5 . 1 1 22 22 TYR N N 22 117.171 117.171 115.252 1.919 25864 591 1 5 . 1 1 22 22 TYR HA H 22 5.390 5.390 5.519 -0.129 25864 592 1 5 . 1 1 22 22 TYR CA C 22 56.800 56.800 56.673 0.127 25864 593 1 5 . 1 1 22 22 TYR CB C 22 42.000 42.000 42.701 -0.701 25864 594 1 5 . 1 1 23 23 VAL N N 23 121.094 121.094 120.959 0.135 25864 595 1 5 . 1 1 23 23 VAL HA H 23 5.160 5.160 4.896 0.264 25864 596 1 5 . 1 1 23 23 VAL CA C 23 59.470 59.470 59.315 0.155 25864 597 1 5 . 1 1 23 23 VAL CB C 23 35.960 35.960 35.678 0.282 25864 598 1 5 . 1 1 24 24 ASN N N 24 127.615 127.615 127.337 0.278 25864 599 1 5 . 1 1 24 24 ASN HA H 24 4.500 4.500 4.534 -0.034 25864 600 1 5 . 1 1 24 24 ASN CA C 24 51.100 51.100 52.387 -1.287 25864 601 1 5 . 1 1 24 24 ASN CB C 24 37.900 37.900 38.820 -0.920 25864 602 1 5 . 1 1 25 25 HIS N N 25 125.650 125.650 123.648 2.002 25864 603 1 5 . 1 1 25 25 HIS HA H 25 4.183 4.183 4.296 -0.113 25864 604 1 5 . 1 1 25 25 HIS CA C 25 59.200 59.200 57.773 1.427 25864 605 1 5 . 1 1 25 25 HIS CB C 25 30.640 30.640 30.557 0.083 25864 606 1 5 . 1 1 26 26 GLU N N 26 121.083 121.083 120.872 0.211 25864 607 1 5 . 1 1 26 26 GLU HA H 26 4.040 4.040 4.250 -0.210 25864 608 1 5 . 1 1 26 26 GLU CA C 26 58.780 58.780 58.593 0.187 25864 609 1 5 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.991 -0.492 25864 610 1 5 . 1 1 27 27 SER N N 27 113.187 113.187 112.596 0.591 25864 611 1 5 . 1 1 27 27 SER HA H 27 4.340 4.340 4.436 -0.096 25864 612 1 5 . 1 1 27 27 SER CA C 27 58.000 58.000 58.136 -0.136 25864 613 1 5 . 1 1 27 27 SER CB C 27 64.000 64.000 64.181 -0.181 25864 614 1 5 . 1 1 28 28 ARG N N 28 120.515 120.515 117.562 2.953 25864 615 1 5 . 1 1 28 28 ARG HA H 28 3.830 3.830 4.062 -0.232 25864 616 1 5 . 1 1 28 28 ARG CA C 28 57.000 57.000 56.886 0.114 25864 617 1 5 . 1 1 28 28 ARG CB C 28 26.500 26.500 26.737 -0.237 25864 618 1 5 . 1 1 29 29 THR N N 29 114.678 114.678 115.339 -0.661 25864 619 1 5 . 1 1 29 29 THR HA H 29 4.560 4.560 4.289 0.271 25864 620 1 5 . 1 1 29 29 THR CA C 29 61.700 61.700 62.249 -0.549 25864 621 1 5 . 1 1 29 29 THR CB C 29 70.870 70.870 69.535 1.335 25864 622 1 5 . 1 1 30 30 THR N N 30 120.059 120.059 118.539 1.520 25864 623 1 5 . 1 1 30 30 THR HA H 30 5.460 5.460 5.320 0.140 25864 624 1 5 . 1 1 30 30 THR CA C 30 60.600 60.600 59.989 0.611 25864 625 1 5 . 1 1 30 30 THR CB C 30 71.250 71.250 69.941 1.309 25864 626 1 5 . 1 1 31 31 GLN N N 31 120.513 120.513 126.018 -5.505 25864 627 1 5 . 1 1 31 31 GLN HA H 31 4.880 4.880 4.633 0.247 25864 628 1 5 . 1 1 31 31 GLN CA C 31 54.500 54.500 54.438 0.062 25864 629 1 5 . 1 1 31 31 GLN CB C 31 32.300 32.300 32.693 -0.393 25864 630 1 5 . 1 1 32 32 TRP N N 32 121.733 121.733 126.075 -4.342 25864 631 1 5 . 1 1 32 32 TRP HA H 32 4.880 4.880 4.769 0.111 25864 632 1 5 . 1 1 32 32 TRP CA C 32 58.700 58.700 58.217 0.483 25864 633 1 5 . 1 1 32 32 TRP CB C 32 30.200 30.200 30.091 0.109 25864 634 1 5 . 1 1 33 33 LYS N N 33 120.387 120.387 119.986 0.401 25864 635 1 5 . 1 1 33 33 LYS HA H 33 4.340 4.340 4.502 -0.162 25864 636 1 5 . 1 1 33 33 LYS CA C 33 55.300 55.300 56.129 -0.829 25864 637 1 5 . 1 1 33 33 LYS CB C 33 33.680 33.680 32.992 0.688 25864 638 1 5 . 1 1 34 34 ARG N N 34 129.060 129.060 120.807 8.253 25864 639 1 5 . 1 1 34 34 ARG HA H 34 2.720 2.720 4.287 -1.567 25864 640 1 5 . 1 1 34 34 ARG CA C 34 54.500 54.500 52.537 1.963 25864 641 1 5 . 1 1 34 34 ARG CB C 34 30.000 30.000 28.461 1.539 25864 642 1 5 . 1 1 35 35 PRO HA H 35 3.840 3.840 4.022 -0.182 25864 643 1 5 . 1 1 35 35 PRO CA C 35 62.060 62.060 62.587 -0.527 25864 644 1 5 . 1 1 35 35 PRO CB C 35 30.940 30.940 31.150 -0.210 25864 645 1 5 . 1 1 36 36 SER N N 36 119.037 119.037 120.806 -1.769 25864 646 1 5 . 1 1 36 36 SER HA H 36 4.657 4.657 4.469 0.188 25864 647 1 5 . 1 1 36 36 SER CA C 36 56.100 56.100 56.150 -0.050 25864 648 1 5 . 1 1 36 36 SER CB C 36 64.000 64.000 62.514 1.486 25864 649 1 5 . 1 1 37 37 PRO HA H 37 4.300 4.300 4.341 -0.041 25864 650 1 5 . 1 1 37 37 PRO CA C 37 64.050 64.050 63.221 0.829 25864 651 1 5 . 1 1 37 37 PRO CB C 37 32.150 32.150 30.354 1.796 25864 652 1 5 . 1 1 38 38 GLU N N 38 119.617 119.617 119.714 -0.097 25864 653 1 5 . 1 1 38 38 GLU HA H 38 4.290 4.290 4.226 0.064 25864 654 1 5 . 1 1 38 38 GLU CA C 38 56.440 56.440 55.818 0.622 25864 655 1 5 . 1 1 38 38 GLU CB C 38 30.270 30.270 28.132 2.138 25864 656 1 6 . 1 1 4 4 SER N N 4 119.600 119.600 121.481 -1.881 25864 657 1 6 . 1 1 4 4 SER HA H 4 4.758 4.758 4.767 -0.009 25864 658 1 6 . 1 1 4 4 SER CA C 4 56.570 56.570 55.198 1.372 25864 659 1 6 . 1 1 4 4 SER CB C 4 62.730 62.730 63.934 -1.204 25864 660 1 6 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.680 -0.280 25864 661 1 6 . 1 1 5 5 PRO CA C 5 62.900 62.900 62.391 0.509 25864 662 1 6 . 1 1 5 5 PRO CB C 5 32.160 32.160 32.329 -0.169 25864 663 1 6 . 1 1 6 6 LEU N N 6 124.496 124.496 115.344 9.152 25864 664 1 6 . 1 1 6 6 LEU HA H 6 4.340 4.340 4.708 -0.368 25864 665 1 6 . 1 1 6 6 LEU CA C 6 52.660 52.660 50.675 1.985 25864 666 1 6 . 1 1 6 6 LEU CB C 6 41.655 41.655 41.022 0.633 25864 667 1 6 . 1 1 7 7 PRO HA H 7 4.808 4.808 4.618 0.190 25864 668 1 6 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.776 -0.576 25864 669 1 6 . 1 1 7 7 PRO CB C 7 30.100 30.100 31.147 -1.047 25864 670 1 6 . 1 1 8 8 PRO HA H 8 4.397 4.397 4.297 0.100 25864 671 1 6 . 1 1 8 8 PRO CA C 8 64.020 64.020 64.086 -0.066 25864 672 1 6 . 1 1 8 8 PRO CB C 8 32.030 32.030 31.424 0.606 25864 673 1 6 . 1 1 9 9 GLY N N 9 112.160 112.160 111.177 0.983 25864 674 1 6 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.702 0.298 25864 675 1 6 . 1 1 10 10 TRP N N 10 119.103 119.103 121.949 -2.846 25864 676 1 6 . 1 1 10 10 TRP HA H 10 5.290 5.290 4.660 0.630 25864 677 1 6 . 1 1 10 10 TRP CA C 10 56.400 56.400 57.944 -1.544 25864 678 1 6 . 1 1 10 10 TRP CB C 10 32.500 32.500 29.893 2.607 25864 679 1 6 . 1 1 11 11 GLU N N 11 121.875 121.875 125.689 -3.814 25864 680 1 6 . 1 1 11 11 GLU HA H 11 4.728 4.728 4.633 0.095 25864 681 1 6 . 1 1 11 11 GLU CA C 11 54.910 54.910 54.783 0.127 25864 682 1 6 . 1 1 11 11 GLU CB C 11 34.400 34.400 32.597 1.803 25864 683 1 6 . 1 1 12 12 GLU N N 12 126.047 126.047 125.925 0.122 25864 684 1 6 . 1 1 12 12 GLU HA H 12 4.492 4.492 4.766 -0.274 25864 685 1 6 . 1 1 12 12 GLU CA C 12 55.200 55.200 56.302 -1.102 25864 686 1 6 . 1 1 12 12 GLU CB C 12 32.100 32.100 30.072 2.028 25864 687 1 6 . 1 1 13 13 ARG N N 13 127.239 127.239 125.546 1.693 25864 688 1 6 . 1 1 13 13 ARG HA H 13 4.398 4.398 4.583 -0.185 25864 689 1 6 . 1 1 13 13 ARG CA C 13 53.700 53.700 53.080 0.621 25864 690 1 6 . 1 1 13 13 ARG CB C 13 34.450 34.450 33.069 1.381 25864 691 1 6 . 1 1 14 14 GLN N N 14 116.920 116.920 117.971 -1.051 25864 692 1 6 . 1 1 14 14 GLN HA H 14 5.388 5.388 4.811 0.577 25864 693 1 6 . 1 1 14 14 GLN CA C 14 54.500 54.500 54.346 0.153 25864 694 1 6 . 1 1 14 14 GLN CB C 14 32.500 32.500 31.508 0.992 25864 695 1 6 . 1 1 15 15 ASP N N 15 124.757 124.757 121.961 2.796 25864 696 1 6 . 1 1 15 15 ASP HA H 15 4.924 4.924 4.926 -0.002 25864 697 1 6 . 1 1 15 15 ASP CA C 15 52.200 52.200 52.811 -0.611 25864 698 1 6 . 1 1 15 15 ASP CB C 15 41.600 41.600 44.271 -2.671 25864 699 1 6 . 1 1 16 16 VAL N N 16 116.200 116.200 118.975 -2.775 25864 700 1 6 . 1 1 16 16 VAL HA H 16 4.060 4.060 3.934 0.126 25864 701 1 6 . 1 1 16 16 VAL CA C 16 64.400 64.400 64.724 -0.324 25864 702 1 6 . 1 1 16 16 VAL CB C 16 31.700 31.700 31.412 0.288 25864 703 1 6 . 1 1 17 17 LEU N N 17 122.200 122.200 118.752 3.448 25864 704 1 6 . 1 1 17 17 LEU HA H 17 4.460 4.460 4.170 0.290 25864 705 1 6 . 1 1 17 17 LEU CA C 17 54.500 54.500 55.715 -1.216 25864 706 1 6 . 1 1 17 17 LEU CB C 17 42.000 42.000 41.977 0.023 25864 707 1 6 . 1 1 18 18 GLY N N 18 110.115 110.115 103.035 7.080 25864 708 1 6 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.744 0.656 25864 709 1 6 . 1 1 19 19 ARG N N 19 124.176 124.176 121.331 2.845 25864 710 1 6 . 1 1 19 19 ARG HA H 19 4.480 4.480 4.396 0.084 25864 711 1 6 . 1 1 19 19 ARG CA C 19 56.100 56.100 54.968 1.132 25864 712 1 6 . 1 1 19 19 ARG CB C 19 31.000 31.000 29.702 1.298 25864 713 1 6 . 1 1 20 20 THR N N 20 122.884 122.884 118.482 4.402 25864 714 1 6 . 1 1 20 20 THR HA H 20 4.923 4.923 4.514 0.409 25864 715 1 6 . 1 1 20 20 THR CA C 20 63.300 63.300 61.867 1.433 25864 716 1 6 . 1 1 20 20 THR CB C 20 70.100 70.100 67.991 2.109 25864 717 1 6 . 1 1 21 21 TYR N N 21 124.950 124.950 125.597 -0.647 25864 718 1 6 . 1 1 21 21 TYR HA H 21 4.600 4.600 4.656 -0.056 25864 719 1 6 . 1 1 21 21 TYR CA C 21 55.300 55.300 54.735 0.565 25864 720 1 6 . 1 1 21 21 TYR CB C 21 38.990 38.990 39.029 -0.039 25864 721 1 6 . 1 1 22 22 TYR N N 22 117.171 117.171 122.943 -5.772 25864 722 1 6 . 1 1 22 22 TYR HA H 22 5.390 5.390 5.223 0.167 25864 723 1 6 . 1 1 22 22 TYR CA C 22 56.800 56.800 55.651 1.149 25864 724 1 6 . 1 1 22 22 TYR CB C 22 42.000 42.000 41.549 0.451 25864 725 1 6 . 1 1 23 23 VAL N N 23 121.094 121.094 121.050 0.044 25864 726 1 6 . 1 1 23 23 VAL HA H 23 5.160 5.160 4.672 0.488 25864 727 1 6 . 1 1 23 23 VAL CA C 23 59.470 59.470 59.096 0.374 25864 728 1 6 . 1 1 23 23 VAL CB C 23 35.960 35.960 34.498 1.462 25864 729 1 6 . 1 1 24 24 ASN N N 24 127.615 127.615 127.976 -0.361 25864 730 1 6 . 1 1 24 24 ASN HA H 24 4.500 4.500 4.189 0.311 25864 731 1 6 . 1 1 24 24 ASN CA C 24 51.100 51.100 52.802 -1.702 25864 732 1 6 . 1 1 24 24 ASN CB C 24 37.900 37.900 38.148 -0.248 25864 733 1 6 . 1 1 25 25 HIS N N 25 125.650 125.650 126.400 -0.750 25864 734 1 6 . 1 1 25 25 HIS HA H 25 4.183 4.183 4.190 -0.007 25864 735 1 6 . 1 1 25 25 HIS CA C 25 59.200 59.200 59.018 0.182 25864 736 1 6 . 1 1 25 25 HIS CB C 25 30.640 30.640 29.798 0.842 25864 737 1 6 . 1 1 26 26 GLU N N 26 121.083 121.083 118.373 2.710 25864 738 1 6 . 1 1 26 26 GLU HA H 26 4.040 4.040 4.287 -0.247 25864 739 1 6 . 1 1 26 26 GLU CA C 26 58.780 58.780 57.587 1.193 25864 740 1 6 . 1 1 26 26 GLU CB C 26 29.500 29.500 30.648 -1.148 25864 741 1 6 . 1 1 27 27 SER N N 27 113.187 113.187 112.127 1.060 25864 742 1 6 . 1 1 27 27 SER HA H 27 4.340 4.340 4.444 -0.104 25864 743 1 6 . 1 1 27 27 SER CA C 27 58.000 58.000 58.236 -0.236 25864 744 1 6 . 1 1 27 27 SER CB C 27 64.000 64.000 64.031 -0.031 25864 745 1 6 . 1 1 28 28 ARG N N 28 120.515 120.515 117.616 2.899 25864 746 1 6 . 1 1 28 28 ARG HA H 28 3.830 3.830 3.912 -0.082 25864 747 1 6 . 1 1 28 28 ARG CA C 28 57.000 57.000 56.931 0.069 25864 748 1 6 . 1 1 28 28 ARG CB C 28 26.500 26.500 27.328 -0.828 25864 749 1 6 . 1 1 29 29 THR N N 29 114.678 114.678 115.995 -1.317 25864 750 1 6 . 1 1 29 29 THR HA H 29 4.560 4.560 4.259 0.301 25864 751 1 6 . 1 1 29 29 THR CA C 29 61.700 61.700 62.684 -0.984 25864 752 1 6 . 1 1 29 29 THR CB C 29 70.870 70.870 68.845 2.025 25864 753 1 6 . 1 1 30 30 THR N N 30 120.059 120.059 120.498 -0.439 25864 754 1 6 . 1 1 30 30 THR HA H 30 5.460 5.460 5.213 0.247 25864 755 1 6 . 1 1 30 30 THR CA C 30 60.600 60.600 60.598 0.002 25864 756 1 6 . 1 1 30 30 THR CB C 30 71.250 71.250 69.617 1.633 25864 757 1 6 . 1 1 31 31 GLN N N 31 120.513 120.513 126.335 -5.822 25864 758 1 6 . 1 1 31 31 GLN HA H 31 4.880 4.880 4.630 0.250 25864 759 1 6 . 1 1 31 31 GLN CA C 31 54.500 54.500 53.964 0.536 25864 760 1 6 . 1 1 31 31 GLN CB C 31 32.300 32.300 32.747 -0.447 25864 761 1 6 . 1 1 32 32 TRP N N 32 121.733 121.733 125.563 -3.830 25864 762 1 6 . 1 1 32 32 TRP HA H 32 4.880 4.880 4.829 0.051 25864 763 1 6 . 1 1 32 32 TRP CA C 32 58.700 58.700 57.440 1.260 25864 764 1 6 . 1 1 32 32 TRP CB C 32 30.200 30.200 30.099 0.101 25864 765 1 6 . 1 1 33 33 LYS N N 33 120.387 120.387 119.947 0.440 25864 766 1 6 . 1 1 33 33 LYS HA H 33 4.340 4.340 4.332 0.008 25864 767 1 6 . 1 1 33 33 LYS CA C 33 55.300 55.300 55.872 -0.572 25864 768 1 6 . 1 1 33 33 LYS CB C 33 33.680 33.680 32.832 0.848 25864 769 1 6 . 1 1 34 34 ARG N N 34 129.060 129.060 127.032 2.028 25864 770 1 6 . 1 1 34 34 ARG HA H 34 2.720 2.720 4.174 -1.454 25864 771 1 6 . 1 1 34 34 ARG CA C 34 54.500 54.500 54.492 0.008 25864 772 1 6 . 1 1 34 34 ARG CB C 34 30.000 30.000 29.971 0.029 25864 773 1 6 . 1 1 35 35 PRO HA H 35 3.840 3.840 4.099 -0.259 25864 774 1 6 . 1 1 35 35 PRO CA C 35 62.060 62.060 62.216 -0.156 25864 775 1 6 . 1 1 35 35 PRO CB C 35 30.940 30.940 31.338 -0.398 25864 776 1 6 . 1 1 36 36 SER N N 36 119.037 119.037 121.016 -1.979 25864 777 1 6 . 1 1 36 36 SER HA H 36 4.657 4.657 4.333 0.324 25864 778 1 6 . 1 1 36 36 SER CA C 36 56.100 56.100 56.817 -0.717 25864 779 1 6 . 1 1 36 36 SER CB C 36 64.000 64.000 63.089 0.911 25864 780 1 6 . 1 1 37 37 PRO HA H 37 4.300 4.300 4.422 -0.122 25864 781 1 6 . 1 1 37 37 PRO CA C 37 64.050 64.050 63.358 0.692 25864 782 1 6 . 1 1 37 37 PRO CB C 37 32.150 32.150 31.764 0.386 25864 783 1 6 . 1 1 38 38 GLU N N 38 119.617 119.617 118.957 0.660 25864 784 1 6 . 1 1 38 38 GLU HA H 38 4.290 4.290 4.282 0.008 25864 785 1 6 . 1 1 38 38 GLU CA C 38 56.440 56.440 55.578 0.862 25864 786 1 6 . 1 1 38 38 GLU CB C 38 30.270 30.270 28.144 2.126 25864 787 1 7 . 1 1 4 4 SER N N 4 119.600 119.600 118.225 1.375 25864 788 1 7 . 1 1 4 4 SER HA H 4 4.758 4.758 4.438 0.320 25864 789 1 7 . 1 1 4 4 SER CA C 4 56.570 56.570 58.232 -1.662 25864 790 1 7 . 1 1 4 4 SER CB C 4 62.730 62.730 63.310 -0.580 25864 791 1 7 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.652 -0.252 25864 792 1 7 . 1 1 5 5 PRO CA C 5 62.900 62.900 62.736 0.164 25864 793 1 7 . 1 1 5 5 PRO CB C 5 32.160 32.160 31.267 0.893 25864 794 1 7 . 1 1 6 6 LEU N N 6 124.496 124.496 126.231 -1.735 25864 795 1 7 . 1 1 6 6 LEU HA H 6 4.340 4.340 4.669 -0.329 25864 796 1 7 . 1 1 6 6 LEU CA C 6 52.660 52.660 51.325 1.335 25864 797 1 7 . 1 1 6 6 LEU CB C 6 41.655 41.655 43.212 -1.557 25864 798 1 7 . 1 1 7 7 PRO HA H 7 4.808 4.808 4.604 0.204 25864 799 1 7 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.508 -0.308 25864 800 1 7 . 1 1 7 7 PRO CB C 7 30.100 30.100 31.041 -0.941 25864 801 1 7 . 1 1 8 8 PRO HA H 8 4.397 4.397 4.308 0.089 25864 802 1 7 . 1 1 8 8 PRO CA C 8 64.020 64.020 64.113 -0.093 25864 803 1 7 . 1 1 8 8 PRO CB C 8 32.030 32.030 31.581 0.449 25864 804 1 7 . 1 1 9 9 GLY N N 9 112.160 112.160 110.970 1.190 25864 805 1 7 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.692 0.308 25864 806 1 7 . 1 1 10 10 TRP N N 10 119.103 119.103 122.435 -3.332 25864 807 1 7 . 1 1 10 10 TRP HA H 10 5.290 5.290 4.785 0.505 25864 808 1 7 . 1 1 10 10 TRP CA C 10 56.400 56.400 57.727 -1.327 25864 809 1 7 . 1 1 10 10 TRP CB C 10 32.500 32.500 30.209 2.291 25864 810 1 7 . 1 1 11 11 GLU N N 11 121.875 121.875 123.142 -1.267 25864 811 1 7 . 1 1 11 11 GLU HA H 11 4.728 4.728 4.737 -0.009 25864 812 1 7 . 1 1 11 11 GLU CA C 11 54.910 54.910 54.021 0.889 25864 813 1 7 . 1 1 11 11 GLU CB C 11 34.400 34.400 32.836 1.564 25864 814 1 7 . 1 1 12 12 GLU N N 12 126.047 126.047 122.045 4.002 25864 815 1 7 . 1 1 12 12 GLU HA H 12 4.492 4.492 4.471 0.021 25864 816 1 7 . 1 1 12 12 GLU CA C 12 55.200 55.200 56.013 -0.813 25864 817 1 7 . 1 1 12 12 GLU CB C 12 32.100 32.100 30.261 1.839 25864 818 1 7 . 1 1 13 13 ARG N N 13 127.239 127.239 125.456 1.783 25864 819 1 7 . 1 1 13 13 ARG HA H 13 4.398 4.398 4.505 -0.107 25864 820 1 7 . 1 1 13 13 ARG CA C 13 53.700 53.700 53.585 0.115 25864 821 1 7 . 1 1 13 13 ARG CB C 13 34.450 34.450 33.693 0.757 25864 822 1 7 . 1 1 14 14 GLN N N 14 116.920 116.920 119.146 -2.226 25864 823 1 7 . 1 1 14 14 GLN HA H 14 5.388 5.388 4.582 0.806 25864 824 1 7 . 1 1 14 14 GLN CA C 14 54.500 54.500 54.527 -0.027 25864 825 1 7 . 1 1 14 14 GLN CB C 14 32.500 32.500 31.466 1.034 25864 826 1 7 . 1 1 15 15 ASP N N 15 124.757 124.757 122.349 2.408 25864 827 1 7 . 1 1 15 15 ASP HA H 15 4.924 4.924 5.036 -0.112 25864 828 1 7 . 1 1 15 15 ASP CA C 15 52.200 52.200 52.552 -0.352 25864 829 1 7 . 1 1 15 15 ASP CB C 15 41.600 41.600 44.824 -3.224 25864 830 1 7 . 1 1 16 16 VAL N N 16 116.200 116.200 118.246 -2.046 25864 831 1 7 . 1 1 16 16 VAL HA H 16 4.060 4.060 4.097 -0.037 25864 832 1 7 . 1 1 16 16 VAL CA C 16 64.400 64.400 64.298 0.102 25864 833 1 7 . 1 1 16 16 VAL CB C 16 31.700 31.700 31.834 -0.134 25864 834 1 7 . 1 1 17 17 LEU N N 17 122.200 122.200 119.713 2.487 25864 835 1 7 . 1 1 17 17 LEU HA H 17 4.460 4.460 4.375 0.085 25864 836 1 7 . 1 1 17 17 LEU CA C 17 54.500 54.500 55.335 -0.835 25864 837 1 7 . 1 1 17 17 LEU CB C 17 42.000 42.000 42.122 -0.122 25864 838 1 7 . 1 1 18 18 GLY N N 18 110.115 110.115 105.638 4.477 25864 839 1 7 . 1 1 18 18 GLY CA C 18 45.400 45.400 45.106 0.294 25864 840 1 7 . 1 1 19 19 ARG N N 19 124.176 124.176 120.504 3.672 25864 841 1 7 . 1 1 19 19 ARG HA H 19 4.480 4.480 4.400 0.080 25864 842 1 7 . 1 1 19 19 ARG CA C 19 56.100 56.100 54.274 1.826 25864 843 1 7 . 1 1 19 19 ARG CB C 19 31.000 31.000 30.072 0.928 25864 844 1 7 . 1 1 20 20 THR N N 20 122.884 122.884 114.584 8.300 25864 845 1 7 . 1 1 20 20 THR HA H 20 4.923 4.923 4.725 0.198 25864 846 1 7 . 1 1 20 20 THR CA C 20 63.300 63.300 61.104 2.196 25864 847 1 7 . 1 1 20 20 THR CB C 20 70.100 70.100 68.828 1.272 25864 848 1 7 . 1 1 21 21 TYR N N 21 124.950 124.950 125.367 -0.417 25864 849 1 7 . 1 1 21 21 TYR HA H 21 4.600 4.600 4.827 -0.227 25864 850 1 7 . 1 1 21 21 TYR CA C 21 55.300 55.300 55.013 0.287 25864 851 1 7 . 1 1 21 21 TYR CB C 21 38.990 38.990 38.387 0.603 25864 852 1 7 . 1 1 22 22 TYR N N 22 117.171 117.171 123.367 -6.196 25864 853 1 7 . 1 1 22 22 TYR HA H 22 5.390 5.390 5.050 0.340 25864 854 1 7 . 1 1 22 22 TYR CA C 22 56.800 56.800 57.183 -0.383 25864 855 1 7 . 1 1 22 22 TYR CB C 22 42.000 42.000 40.630 1.370 25864 856 1 7 . 1 1 23 23 VAL N N 23 121.094 121.094 119.869 1.225 25864 857 1 7 . 1 1 23 23 VAL HA H 23 5.160 5.160 4.685 0.475 25864 858 1 7 . 1 1 23 23 VAL CA C 23 59.470 59.470 59.257 0.213 25864 859 1 7 . 1 1 23 23 VAL CB C 23 35.960 35.960 34.831 1.129 25864 860 1 7 . 1 1 24 24 ASN N N 24 127.615 127.615 127.437 0.178 25864 861 1 7 . 1 1 24 24 ASN HA H 24 4.500 4.500 4.490 0.010 25864 862 1 7 . 1 1 24 24 ASN CA C 24 51.100 51.100 51.835 -0.735 25864 863 1 7 . 1 1 24 24 ASN CB C 24 37.900 37.900 39.249 -1.349 25864 864 1 7 . 1 1 25 25 HIS N N 25 125.650 125.650 124.176 1.474 25864 865 1 7 . 1 1 25 25 HIS HA H 25 4.183 4.183 4.170 0.013 25864 866 1 7 . 1 1 25 25 HIS CA C 25 59.200 59.200 58.219 0.981 25864 867 1 7 . 1 1 25 25 HIS CB C 25 30.640 30.640 30.394 0.246 25864 868 1 7 . 1 1 26 26 GLU N N 26 121.083 121.083 119.855 1.228 25864 869 1 7 . 1 1 26 26 GLU HA H 26 4.040 4.040 4.094 -0.054 25864 870 1 7 . 1 1 26 26 GLU CA C 26 58.780 58.780 58.768 0.012 25864 871 1 7 . 1 1 26 26 GLU CB C 26 29.500 29.500 30.116 -0.616 25864 872 1 7 . 1 1 27 27 SER N N 27 113.187 113.187 112.134 1.053 25864 873 1 7 . 1 1 27 27 SER HA H 27 4.340 4.340 4.432 -0.092 25864 874 1 7 . 1 1 27 27 SER CA C 27 58.000 58.000 59.054 -1.054 25864 875 1 7 . 1 1 27 27 SER CB C 27 64.000 64.000 63.641 0.359 25864 876 1 7 . 1 1 28 28 ARG N N 28 120.515 120.515 116.757 3.758 25864 877 1 7 . 1 1 28 28 ARG HA H 28 3.830 3.830 4.061 -0.231 25864 878 1 7 . 1 1 28 28 ARG CA C 28 57.000 57.000 56.970 0.030 25864 879 1 7 . 1 1 28 28 ARG CB C 28 26.500 26.500 27.228 -0.728 25864 880 1 7 . 1 1 29 29 THR N N 29 114.678 114.678 116.270 -1.592 25864 881 1 7 . 1 1 29 29 THR HA H 29 4.560 4.560 4.258 0.302 25864 882 1 7 . 1 1 29 29 THR CA C 29 61.700 61.700 63.110 -1.410 25864 883 1 7 . 1 1 29 29 THR CB C 29 70.870 70.870 69.036 1.834 25864 884 1 7 . 1 1 30 30 THR N N 30 120.059 120.059 119.646 0.413 25864 885 1 7 . 1 1 30 30 THR HA H 30 5.460 5.460 5.386 0.074 25864 886 1 7 . 1 1 30 30 THR CA C 30 60.600 60.600 60.086 0.514 25864 887 1 7 . 1 1 30 30 THR CB C 30 71.250 71.250 70.549 0.701 25864 888 1 7 . 1 1 31 31 GLN N N 31 120.513 120.513 124.595 -4.082 25864 889 1 7 . 1 1 31 31 GLN HA H 31 4.880 4.880 4.647 0.233 25864 890 1 7 . 1 1 31 31 GLN CA C 31 54.500 54.500 54.867 -0.367 25864 891 1 7 . 1 1 31 31 GLN CB C 31 32.300 32.300 32.856 -0.556 25864 892 1 7 . 1 1 32 32 TRP N N 32 121.733 121.733 125.858 -4.125 25864 893 1 7 . 1 1 32 32 TRP HA H 32 4.880 4.880 4.736 0.144 25864 894 1 7 . 1 1 32 32 TRP CA C 32 58.700 58.700 57.951 0.749 25864 895 1 7 . 1 1 32 32 TRP CB C 32 30.200 30.200 30.177 0.023 25864 896 1 7 . 1 1 33 33 LYS N N 33 120.387 120.387 120.706 -0.319 25864 897 1 7 . 1 1 33 33 LYS HA H 33 4.340 4.340 4.400 -0.060 25864 898 1 7 . 1 1 33 33 LYS CA C 33 55.300 55.300 56.352 -1.052 25864 899 1 7 . 1 1 33 33 LYS CB C 33 33.680 33.680 32.811 0.869 25864 900 1 7 . 1 1 34 34 ARG N N 34 129.060 129.060 125.547 3.513 25864 901 1 7 . 1 1 34 34 ARG HA H 34 2.720 2.720 3.894 -1.174 25864 902 1 7 . 1 1 34 34 ARG CA C 34 54.500 54.500 54.424 0.076 25864 903 1 7 . 1 1 34 34 ARG CB C 34 30.000 30.000 29.273 0.727 25864 904 1 7 . 1 1 35 35 PRO HA H 35 3.840 3.840 4.237 -0.397 25864 905 1 7 . 1 1 35 35 PRO CA C 35 62.060 62.060 62.116 -0.056 25864 906 1 7 . 1 1 35 35 PRO CB C 35 30.940 30.940 31.567 -0.627 25864 907 1 7 . 1 1 36 36 SER N N 36 119.037 119.037 119.377 -0.340 25864 908 1 7 . 1 1 36 36 SER HA H 36 4.657 4.657 4.498 0.159 25864 909 1 7 . 1 1 36 36 SER CA C 36 56.100 56.100 56.634 -0.534 25864 910 1 7 . 1 1 36 36 SER CB C 36 64.000 64.000 63.224 0.776 25864 911 1 7 . 1 1 37 37 PRO HA H 37 4.300 4.300 4.442 -0.142 25864 912 1 7 . 1 1 37 37 PRO CA C 37 64.050 64.050 63.477 0.573 25864 913 1 7 . 1 1 37 37 PRO CB C 37 32.150 32.150 31.872 0.278 25864 914 1 7 . 1 1 38 38 GLU N N 38 119.617 119.617 119.750 -0.133 25864 915 1 7 . 1 1 38 38 GLU HA H 38 4.290 4.290 4.296 -0.006 25864 916 1 7 . 1 1 38 38 GLU CA C 38 56.440 56.440 55.132 1.308 25864 917 1 7 . 1 1 38 38 GLU CB C 38 30.270 30.270 28.254 2.016 25864 918 1 8 . 1 1 4 4 SER N N 4 119.600 119.600 115.676 3.924 25864 919 1 8 . 1 1 4 4 SER HA H 4 4.758 4.758 4.820 -0.062 25864 920 1 8 . 1 1 4 4 SER CA C 4 56.570 56.570 56.908 -0.338 25864 921 1 8 . 1 1 4 4 SER CB C 4 62.730 62.730 63.665 -0.935 25864 922 1 8 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.886 -0.486 25864 923 1 8 . 1 1 5 5 PRO CA C 5 62.900 62.900 62.385 0.515 25864 924 1 8 . 1 1 5 5 PRO CB C 5 32.160 32.160 32.169 -0.009 25864 925 1 8 . 1 1 6 6 LEU N N 6 124.496 124.496 116.287 8.209 25864 926 1 8 . 1 1 6 6 LEU HA H 6 4.340 4.340 4.700 -0.360 25864 927 1 8 . 1 1 6 6 LEU CA C 6 52.660 52.660 51.243 1.417 25864 928 1 8 . 1 1 6 6 LEU CB C 6 41.655 41.655 41.687 -0.032 25864 929 1 8 . 1 1 7 7 PRO HA H 7 4.808 4.808 4.557 0.251 25864 930 1 8 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.836 -0.636 25864 931 1 8 . 1 1 7 7 PRO CB C 7 30.100 30.100 31.056 -0.956 25864 932 1 8 . 1 1 8 8 PRO HA H 8 4.397 4.397 4.391 0.006 25864 933 1 8 . 1 1 8 8 PRO CA C 8 64.020 64.020 63.902 0.118 25864 934 1 8 . 1 1 8 8 PRO CB C 8 32.030 32.030 31.933 0.097 25864 935 1 8 . 1 1 9 9 GLY N N 9 112.160 112.160 110.938 1.222 25864 936 1 8 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.751 0.249 25864 937 1 8 . 1 1 10 10 TRP N N 10 119.103 119.103 123.159 -4.056 25864 938 1 8 . 1 1 10 10 TRP HA H 10 5.290 5.290 4.958 0.332 25864 939 1 8 . 1 1 10 10 TRP CA C 10 56.400 56.400 57.717 -1.317 25864 940 1 8 . 1 1 10 10 TRP CB C 10 32.500 32.500 29.729 2.771 25864 941 1 8 . 1 1 11 11 GLU N N 11 121.875 121.875 123.809 -1.934 25864 942 1 8 . 1 1 11 11 GLU HA H 11 4.728 4.728 4.734 -0.006 25864 943 1 8 . 1 1 11 11 GLU CA C 11 54.910 54.910 54.567 0.343 25864 944 1 8 . 1 1 11 11 GLU CB C 11 34.400 34.400 31.953 2.447 25864 945 1 8 . 1 1 12 12 GLU N N 12 126.047 126.047 124.965 1.082 25864 946 1 8 . 1 1 12 12 GLU HA H 12 4.492 4.492 4.469 0.023 25864 947 1 8 . 1 1 12 12 GLU CA C 12 55.200 55.200 56.886 -1.686 25864 948 1 8 . 1 1 12 12 GLU CB C 12 32.100 32.100 30.169 1.931 25864 949 1 8 . 1 1 13 13 ARG N N 13 127.239 127.239 125.739 1.500 25864 950 1 8 . 1 1 13 13 ARG HA H 13 4.398 4.398 4.578 -0.180 25864 951 1 8 . 1 1 13 13 ARG CA C 13 53.700 53.700 53.370 0.330 25864 952 1 8 . 1 1 13 13 ARG CB C 13 34.450 34.450 33.575 0.875 25864 953 1 8 . 1 1 14 14 GLN N N 14 116.920 116.920 120.053 -3.133 25864 954 1 8 . 1 1 14 14 GLN HA H 14 5.388 5.388 4.357 1.031 25864 955 1 8 . 1 1 14 14 GLN CA C 14 54.500 54.500 54.808 -0.308 25864 956 1 8 . 1 1 14 14 GLN CB C 14 32.500 32.500 29.792 2.708 25864 957 1 8 . 1 1 15 15 ASP N N 15 124.757 124.757 122.716 2.041 25864 958 1 8 . 1 1 15 15 ASP HA H 15 4.924 4.924 4.825 0.099 25864 959 1 8 . 1 1 15 15 ASP CA C 15 52.200 52.200 53.623 -1.423 25864 960 1 8 . 1 1 15 15 ASP CB C 15 41.600 41.600 42.394 -0.794 25864 961 1 8 . 1 1 16 16 VAL N N 16 116.200 116.200 120.083 -3.883 25864 962 1 8 . 1 1 16 16 VAL HA H 16 4.060 4.060 3.873 0.187 25864 963 1 8 . 1 1 16 16 VAL CA C 16 64.400 64.400 64.668 -0.268 25864 964 1 8 . 1 1 16 16 VAL CB C 16 31.700 31.700 32.069 -0.369 25864 965 1 8 . 1 1 17 17 LEU N N 17 122.200 122.200 117.179 5.021 25864 966 1 8 . 1 1 17 17 LEU HA H 17 4.460 4.460 4.185 0.275 25864 967 1 8 . 1 1 17 17 LEU CA C 17 54.500 54.500 55.670 -1.171 25864 968 1 8 . 1 1 17 17 LEU CB C 17 42.000 42.000 42.620 -0.620 25864 969 1 8 . 1 1 18 18 GLY N N 18 110.115 110.115 104.241 5.874 25864 970 1 8 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.538 0.862 25864 971 1 8 . 1 1 19 19 ARG N N 19 124.176 124.176 122.659 1.517 25864 972 1 8 . 1 1 19 19 ARG HA H 19 4.480 4.480 4.490 -0.010 25864 973 1 8 . 1 1 19 19 ARG CA C 19 56.100 56.100 54.569 1.532 25864 974 1 8 . 1 1 19 19 ARG CB C 19 31.000 31.000 29.793 1.207 25864 975 1 8 . 1 1 20 20 THR N N 20 122.884 122.884 123.726 -0.842 25864 976 1 8 . 1 1 20 20 THR HA H 20 4.923 4.923 4.508 0.415 25864 977 1 8 . 1 1 20 20 THR CA C 20 63.300 63.300 62.931 0.369 25864 978 1 8 . 1 1 20 20 THR CB C 20 70.100 70.100 68.876 1.224 25864 979 1 8 . 1 1 21 21 TYR N N 21 124.950 124.950 125.756 -0.806 25864 980 1 8 . 1 1 21 21 TYR HA H 21 4.600 4.600 4.709 -0.109 25864 981 1 8 . 1 1 21 21 TYR CA C 21 55.300 55.300 55.467 -0.167 25864 982 1 8 . 1 1 21 21 TYR CB C 21 38.990 38.990 39.874 -0.884 25864 983 1 8 . 1 1 22 22 TYR N N 22 117.171 117.171 114.869 2.302 25864 984 1 8 . 1 1 22 22 TYR HA H 22 5.390 5.390 5.560 -0.170 25864 985 1 8 . 1 1 22 22 TYR CA C 22 56.800 56.800 56.434 0.366 25864 986 1 8 . 1 1 22 22 TYR CB C 22 42.000 42.000 42.328 -0.328 25864 987 1 8 . 1 1 23 23 VAL N N 23 121.094 121.094 119.622 1.472 25864 988 1 8 . 1 1 23 23 VAL HA H 23 5.160 5.160 4.915 0.245 25864 989 1 8 . 1 1 23 23 VAL CA C 23 59.470 59.470 59.223 0.247 25864 990 1 8 . 1 1 23 23 VAL CB C 23 35.960 35.960 36.325 -0.365 25864 991 1 8 . 1 1 24 24 ASN N N 24 127.615 127.615 125.289 2.326 25864 992 1 8 . 1 1 24 24 ASN HA H 24 4.500 4.500 4.370 0.130 25864 993 1 8 . 1 1 24 24 ASN CA C 24 51.100 51.100 52.643 -1.543 25864 994 1 8 . 1 1 24 24 ASN CB C 24 37.900 37.900 39.624 -1.724 25864 995 1 8 . 1 1 25 25 HIS N N 25 125.650 125.650 125.080 0.570 25864 996 1 8 . 1 1 25 25 HIS HA H 25 4.183 4.183 4.373 -0.190 25864 997 1 8 . 1 1 25 25 HIS CA C 25 59.200 59.200 59.298 -0.098 25864 998 1 8 . 1 1 25 25 HIS CB C 25 30.640 30.640 30.966 -0.326 25864 999 1 8 . 1 1 26 26 GLU N N 26 121.083 121.083 117.631 3.452 25864 1000 1 8 . 1 1 26 26 GLU HA H 26 4.040 4.040 4.180 -0.140 25864 1001 1 8 . 1 1 26 26 GLU CA C 26 58.780 58.780 58.015 0.765 25864 1002 1 8 . 1 1 26 26 GLU CB C 26 29.500 29.500 30.629 -1.129 25864 1003 1 8 . 1 1 27 27 SER N N 27 113.187 113.187 113.172 0.015 25864 1004 1 8 . 1 1 27 27 SER HA H 27 4.340 4.340 4.335 0.005 25864 1005 1 8 . 1 1 27 27 SER CA C 27 58.000 58.000 58.946 -0.946 25864 1006 1 8 . 1 1 27 27 SER CB C 27 64.000 64.000 63.732 0.268 25864 1007 1 8 . 1 1 28 28 ARG N N 28 120.515 120.515 117.367 3.148 25864 1008 1 8 . 1 1 28 28 ARG HA H 28 3.830 3.830 4.109 -0.279 25864 1009 1 8 . 1 1 28 28 ARG CA C 28 57.000 57.000 56.851 0.149 25864 1010 1 8 . 1 1 28 28 ARG CB C 28 26.500 26.500 27.612 -1.112 25864 1011 1 8 . 1 1 29 29 THR N N 29 114.678 114.678 112.154 2.524 25864 1012 1 8 . 1 1 29 29 THR HA H 29 4.560 4.560 4.327 0.233 25864 1013 1 8 . 1 1 29 29 THR CA C 29 61.700 61.700 60.653 1.047 25864 1014 1 8 . 1 1 29 29 THR CB C 29 70.870 70.870 69.846 1.024 25864 1015 1 8 . 1 1 30 30 THR N N 30 120.059 120.059 117.091 2.968 25864 1016 1 8 . 1 1 30 30 THR HA H 30 5.460 5.460 5.516 -0.056 25864 1017 1 8 . 1 1 30 30 THR CA C 30 60.600 60.600 60.190 0.410 25864 1018 1 8 . 1 1 30 30 THR CB C 30 71.250 71.250 71.100 0.149 25864 1019 1 8 . 1 1 31 31 GLN N N 31 120.513 120.513 124.365 -3.852 25864 1020 1 8 . 1 1 31 31 GLN HA H 31 4.880 4.880 4.938 -0.058 25864 1021 1 8 . 1 1 31 31 GLN CA C 31 54.500 54.500 54.903 -0.403 25864 1022 1 8 . 1 1 31 31 GLN CB C 31 32.300 32.300 32.861 -0.561 25864 1023 1 8 . 1 1 32 32 TRP N N 32 121.733 121.733 128.192 -6.459 25864 1024 1 8 . 1 1 32 32 TRP HA H 32 4.880 4.880 4.760 0.120 25864 1025 1 8 . 1 1 32 32 TRP CA C 32 58.700 58.700 58.256 0.444 25864 1026 1 8 . 1 1 32 32 TRP CB C 32 30.200 30.200 30.421 -0.221 25864 1027 1 8 . 1 1 33 33 LYS N N 33 120.387 120.387 120.061 0.326 25864 1028 1 8 . 1 1 33 33 LYS HA H 33 4.340 4.340 4.051 0.289 25864 1029 1 8 . 1 1 33 33 LYS CA C 33 55.300 55.300 55.449 -0.149 25864 1030 1 8 . 1 1 33 33 LYS CB C 33 33.680 33.680 32.818 0.862 25864 1031 1 8 . 1 1 34 34 ARG N N 34 129.060 129.060 122.805 6.255 25864 1032 1 8 . 1 1 34 34 ARG HA H 34 2.720 2.720 4.108 -1.388 25864 1033 1 8 . 1 1 34 34 ARG CA C 34 54.500 54.500 54.916 -0.416 25864 1034 1 8 . 1 1 34 34 ARG CB C 34 30.000 30.000 29.532 0.468 25864 1035 1 8 . 1 1 35 35 PRO HA H 35 3.840 3.840 4.190 -0.350 25864 1036 1 8 . 1 1 35 35 PRO CA C 35 62.060 62.060 62.277 -0.217 25864 1037 1 8 . 1 1 35 35 PRO CB C 35 30.940 30.940 31.344 -0.404 25864 1038 1 8 . 1 1 36 36 SER N N 36 119.037 119.037 118.683 0.354 25864 1039 1 8 . 1 1 36 36 SER HA H 36 4.657 4.657 4.478 0.179 25864 1040 1 8 . 1 1 36 36 SER CA C 36 56.100 56.100 55.547 0.553 25864 1041 1 8 . 1 1 36 36 SER CB C 36 64.000 64.000 62.716 1.284 25864 1042 1 8 . 1 1 37 37 PRO HA H 37 4.300 4.300 4.401 -0.101 25864 1043 1 8 . 1 1 37 37 PRO CA C 37 64.050 64.050 63.438 0.612 25864 1044 1 8 . 1 1 37 37 PRO CB C 37 32.150 32.150 31.826 0.324 25864 1045 1 8 . 1 1 38 38 GLU N N 38 119.617 119.617 118.957 0.660 25864 1046 1 8 . 1 1 38 38 GLU HA H 38 4.290 4.290 4.233 0.057 25864 1047 1 8 . 1 1 38 38 GLU CA C 38 56.440 56.440 55.793 0.647 25864 1048 1 8 . 1 1 38 38 GLU CB C 38 30.270 30.270 28.061 2.209 25864 1049 1 9 . 1 1 4 4 SER N N 4 119.600 119.600 116.675 2.925 25864 1050 1 9 . 1 1 4 4 SER HA H 4 4.758 4.758 4.627 0.131 25864 1051 1 9 . 1 1 4 4 SER CA C 4 56.570 56.570 58.261 -1.691 25864 1052 1 9 . 1 1 4 4 SER CB C 4 62.730 62.730 62.824 -0.094 25864 1053 1 9 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.422 -0.022 25864 1054 1 9 . 1 1 5 5 PRO CA C 5 62.900 62.900 63.312 -0.411 25864 1055 1 9 . 1 1 5 5 PRO CB C 5 32.160 32.160 31.956 0.204 25864 1056 1 9 . 1 1 6 6 LEU N N 6 124.496 124.496 117.572 6.924 25864 1057 1 9 . 1 1 6 6 LEU HA H 6 4.340 4.340 4.731 -0.391 25864 1058 1 9 . 1 1 6 6 LEU CA C 6 52.660 52.660 51.172 1.488 25864 1059 1 9 . 1 1 6 6 LEU CB C 6 41.655 41.655 41.868 -0.213 25864 1060 1 9 . 1 1 7 7 PRO HA H 7 4.808 4.808 4.426 0.382 25864 1061 1 9 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.887 -0.687 25864 1062 1 9 . 1 1 7 7 PRO CB C 7 30.100 30.100 30.904 -0.804 25864 1063 1 9 . 1 1 8 8 PRO HA H 8 4.397 4.397 4.375 0.022 25864 1064 1 9 . 1 1 8 8 PRO CA C 8 64.020 64.020 64.087 -0.067 25864 1065 1 9 . 1 1 8 8 PRO CB C 8 32.030 32.030 31.775 0.255 25864 1066 1 9 . 1 1 9 9 GLY N N 9 112.160 112.160 110.795 1.365 25864 1067 1 9 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.779 0.221 25864 1068 1 9 . 1 1 10 10 TRP N N 10 119.103 119.103 121.113 -2.010 25864 1069 1 9 . 1 1 10 10 TRP HA H 10 5.290 5.290 5.246 0.044 25864 1070 1 9 . 1 1 10 10 TRP CA C 10 56.400 56.400 57.000 -0.600 25864 1071 1 9 . 1 1 10 10 TRP CB C 10 32.500 32.500 31.124 1.376 25864 1072 1 9 . 1 1 11 11 GLU N N 11 121.875 121.875 119.713 2.162 25864 1073 1 9 . 1 1 11 11 GLU HA H 11 4.728 4.728 4.729 -0.001 25864 1074 1 9 . 1 1 11 11 GLU CA C 11 54.910 54.910 54.558 0.352 25864 1075 1 9 . 1 1 11 11 GLU CB C 11 34.400 34.400 33.435 0.965 25864 1076 1 9 . 1 1 12 12 GLU N N 12 126.047 126.047 123.692 2.355 25864 1077 1 9 . 1 1 12 12 GLU HA H 12 4.492 4.492 4.322 0.170 25864 1078 1 9 . 1 1 12 12 GLU CA C 12 55.200 55.200 56.576 -1.376 25864 1079 1 9 . 1 1 12 12 GLU CB C 12 32.100 32.100 30.354 1.746 25864 1080 1 9 . 1 1 13 13 ARG N N 13 127.239 127.239 124.496 2.743 25864 1081 1 9 . 1 1 13 13 ARG HA H 13 4.398 4.398 4.540 -0.142 25864 1082 1 9 . 1 1 13 13 ARG CA C 13 53.700 53.700 53.569 0.131 25864 1083 1 9 . 1 1 13 13 ARG CB C 13 34.450 34.450 33.865 0.585 25864 1084 1 9 . 1 1 14 14 GLN N N 14 116.920 116.920 118.447 -1.527 25864 1085 1 9 . 1 1 14 14 GLN HA H 14 5.388 5.388 4.609 0.779 25864 1086 1 9 . 1 1 14 14 GLN CA C 14 54.500 54.500 54.313 0.187 25864 1087 1 9 . 1 1 14 14 GLN CB C 14 32.500 32.500 31.497 1.003 25864 1088 1 9 . 1 1 15 15 ASP N N 15 124.757 124.757 121.928 2.829 25864 1089 1 9 . 1 1 15 15 ASP HA H 15 4.924 4.924 4.875 0.049 25864 1090 1 9 . 1 1 15 15 ASP CA C 15 52.200 52.200 52.073 0.127 25864 1091 1 9 . 1 1 15 15 ASP CB C 15 41.600 41.600 41.807 -0.207 25864 1092 1 9 . 1 1 16 16 VAL N N 16 116.200 116.200 118.378 -2.178 25864 1093 1 9 . 1 1 16 16 VAL HA H 16 4.060 4.060 3.943 0.117 25864 1094 1 9 . 1 1 16 16 VAL CA C 16 64.400 64.400 64.008 0.392 25864 1095 1 9 . 1 1 16 16 VAL CB C 16 31.700 31.700 31.624 0.076 25864 1096 1 9 . 1 1 17 17 LEU N N 17 122.200 122.200 118.530 3.670 25864 1097 1 9 . 1 1 17 17 LEU HA H 17 4.460 4.460 4.226 0.234 25864 1098 1 9 . 1 1 17 17 LEU CA C 17 54.500 54.500 55.067 -0.567 25864 1099 1 9 . 1 1 17 17 LEU CB C 17 42.000 42.000 42.274 -0.274 25864 1100 1 9 . 1 1 18 18 GLY N N 18 110.115 110.115 105.884 4.231 25864 1101 1 9 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.688 0.712 25864 1102 1 9 . 1 1 19 19 ARG N N 19 124.176 124.176 120.853 3.323 25864 1103 1 9 . 1 1 19 19 ARG HA H 19 4.480 4.480 4.534 -0.054 25864 1104 1 9 . 1 1 19 19 ARG CA C 19 56.100 56.100 54.008 2.092 25864 1105 1 9 . 1 1 19 19 ARG CB C 19 31.000 31.000 30.422 0.578 25864 1106 1 9 . 1 1 20 20 THR N N 20 122.884 122.884 121.722 1.162 25864 1107 1 9 . 1 1 20 20 THR HA H 20 4.923 4.923 4.549 0.374 25864 1108 1 9 . 1 1 20 20 THR CA C 20 63.300 63.300 62.746 0.554 25864 1109 1 9 . 1 1 20 20 THR CB C 20 70.100 70.100 68.376 1.724 25864 1110 1 9 . 1 1 21 21 TYR N N 21 124.950 124.950 125.413 -0.463 25864 1111 1 9 . 1 1 21 21 TYR HA H 21 4.600 4.600 4.720 -0.120 25864 1112 1 9 . 1 1 21 21 TYR CA C 21 55.300 55.300 55.367 -0.067 25864 1113 1 9 . 1 1 21 21 TYR CB C 21 38.990 38.990 40.006 -1.016 25864 1114 1 9 . 1 1 22 22 TYR N N 22 117.171 117.171 116.063 1.108 25864 1115 1 9 . 1 1 22 22 TYR HA H 22 5.390 5.390 5.733 -0.343 25864 1116 1 9 . 1 1 22 22 TYR CA C 22 56.800 56.800 56.005 0.795 25864 1117 1 9 . 1 1 22 22 TYR CB C 22 42.000 42.000 41.705 0.295 25864 1118 1 9 . 1 1 23 23 VAL N N 23 121.094 121.094 120.623 0.471 25864 1119 1 9 . 1 1 23 23 VAL HA H 23 5.160 5.160 4.740 0.420 25864 1120 1 9 . 1 1 23 23 VAL CA C 23 59.470 59.470 59.737 -0.267 25864 1121 1 9 . 1 1 23 23 VAL CB C 23 35.960 35.960 36.012 -0.052 25864 1122 1 9 . 1 1 24 24 ASN N N 24 127.615 127.615 126.709 0.906 25864 1123 1 9 . 1 1 24 24 ASN HA H 24 4.500 4.500 4.811 -0.311 25864 1124 1 9 . 1 1 24 24 ASN CA C 24 51.100 51.100 52.389 -1.289 25864 1125 1 9 . 1 1 24 24 ASN CB C 24 37.900 37.900 38.965 -1.065 25864 1126 1 9 . 1 1 25 25 HIS N N 25 125.650 125.650 123.939 1.711 25864 1127 1 9 . 1 1 25 25 HIS HA H 25 4.183 4.183 4.339 -0.156 25864 1128 1 9 . 1 1 25 25 HIS CA C 25 59.200 59.200 58.016 1.184 25864 1129 1 9 . 1 1 25 25 HIS CB C 25 30.640 30.640 30.589 0.051 25864 1130 1 9 . 1 1 26 26 GLU N N 26 121.083 121.083 119.706 1.377 25864 1131 1 9 . 1 1 26 26 GLU HA H 26 4.040 4.040 4.289 -0.249 25864 1132 1 9 . 1 1 26 26 GLU CA C 26 58.780 58.780 57.916 0.864 25864 1133 1 9 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.846 -0.346 25864 1134 1 9 . 1 1 27 27 SER N N 27 113.187 113.187 112.378 0.809 25864 1135 1 9 . 1 1 27 27 SER HA H 27 4.340 4.340 4.370 -0.030 25864 1136 1 9 . 1 1 27 27 SER CA C 27 58.000 58.000 58.955 -0.955 25864 1137 1 9 . 1 1 27 27 SER CB C 27 64.000 64.000 63.607 0.393 25864 1138 1 9 . 1 1 28 28 ARG N N 28 120.515 120.515 117.099 3.416 25864 1139 1 9 . 1 1 28 28 ARG HA H 28 3.830 3.830 4.021 -0.191 25864 1140 1 9 . 1 1 28 28 ARG CA C 28 57.000 57.000 56.951 0.049 25864 1141 1 9 . 1 1 28 28 ARG CB C 28 26.500 26.500 27.311 -0.811 25864 1142 1 9 . 1 1 29 29 THR N N 29 114.678 114.678 115.530 -0.852 25864 1143 1 9 . 1 1 29 29 THR HA H 29 4.560 4.560 4.537 0.023 25864 1144 1 9 . 1 1 29 29 THR CA C 29 61.700 61.700 61.457 0.243 25864 1145 1 9 . 1 1 29 29 THR CB C 29 70.870 70.870 70.669 0.201 25864 1146 1 9 . 1 1 30 30 THR N N 30 120.059 120.059 117.375 2.684 25864 1147 1 9 . 1 1 30 30 THR HA H 30 5.460 5.460 5.238 0.222 25864 1148 1 9 . 1 1 30 30 THR CA C 30 60.600 60.600 60.137 0.463 25864 1149 1 9 . 1 1 30 30 THR CB C 30 71.250 71.250 70.517 0.733 25864 1150 1 9 . 1 1 31 31 GLN N N 31 120.513 120.513 123.801 -3.288 25864 1151 1 9 . 1 1 31 31 GLN HA H 31 4.880 4.880 4.925 -0.045 25864 1152 1 9 . 1 1 31 31 GLN CA C 31 54.500 54.500 55.108 -0.609 25864 1153 1 9 . 1 1 31 31 GLN CB C 31 32.300 32.300 32.904 -0.604 25864 1154 1 9 . 1 1 32 32 TRP N N 32 121.733 121.733 128.440 -6.707 25864 1155 1 9 . 1 1 32 32 TRP HA H 32 4.880 4.880 4.833 0.047 25864 1156 1 9 . 1 1 32 32 TRP CA C 32 58.700 58.700 57.926 0.774 25864 1157 1 9 . 1 1 32 32 TRP CB C 32 30.200 30.200 30.691 -0.491 25864 1158 1 9 . 1 1 33 33 LYS N N 33 120.387 120.387 121.547 -1.160 25864 1159 1 9 . 1 1 33 33 LYS HA H 33 4.340 4.340 3.993 0.347 25864 1160 1 9 . 1 1 33 33 LYS CA C 33 55.300 55.300 56.200 -0.900 25864 1161 1 9 . 1 1 33 33 LYS CB C 33 33.680 33.680 32.683 0.997 25864 1162 1 9 . 1 1 34 34 ARG N N 34 129.060 129.060 125.947 3.113 25864 1163 1 9 . 1 1 34 34 ARG HA H 34 2.720 2.720 3.994 -1.274 25864 1164 1 9 . 1 1 34 34 ARG CA C 34 54.500 54.500 54.570 -0.070 25864 1165 1 9 . 1 1 34 34 ARG CB C 34 30.000 30.000 30.410 -0.410 25864 1166 1 9 . 1 1 35 35 PRO HA H 35 3.840 3.840 4.234 -0.394 25864 1167 1 9 . 1 1 35 35 PRO CA C 35 62.060 62.060 62.015 0.045 25864 1168 1 9 . 1 1 35 35 PRO CB C 35 30.940 30.940 31.702 -0.762 25864 1169 1 9 . 1 1 36 36 SER N N 36 119.037 119.037 119.267 -0.230 25864 1170 1 9 . 1 1 36 36 SER HA H 36 4.657 4.657 4.376 0.281 25864 1171 1 9 . 1 1 36 36 SER CA C 36 56.100 56.100 56.327 -0.227 25864 1172 1 9 . 1 1 36 36 SER CB C 36 64.000 64.000 62.970 1.030 25864 1173 1 9 . 1 1 37 37 PRO HA H 37 4.300 4.300 4.384 -0.084 25864 1174 1 9 . 1 1 37 37 PRO CA C 37 64.050 64.050 63.640 0.410 25864 1175 1 9 . 1 1 37 37 PRO CB C 37 32.150 32.150 31.871 0.279 25864 1176 1 9 . 1 1 38 38 GLU N N 38 119.617 119.617 118.780 0.837 25864 1177 1 9 . 1 1 38 38 GLU HA H 38 4.290 4.290 4.127 0.163 25864 1178 1 9 . 1 1 38 38 GLU CA C 38 56.440 56.440 56.133 0.307 25864 1179 1 9 . 1 1 38 38 GLU CB C 38 30.270 30.270 27.873 2.397 25864 1180 1 10 . 1 1 4 4 SER N N 4 119.600 119.600 118.804 0.796 25864 1181 1 10 . 1 1 4 4 SER HA H 4 4.758 4.758 4.716 0.042 25864 1182 1 10 . 1 1 4 4 SER CA C 4 56.570 56.570 55.937 0.633 25864 1183 1 10 . 1 1 4 4 SER CB C 4 62.730 62.730 63.746 -1.016 25864 1184 1 10 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.488 -0.088 25864 1185 1 10 . 1 1 5 5 PRO CA C 5 62.900 62.900 63.022 -0.122 25864 1186 1 10 . 1 1 5 5 PRO CB C 5 32.160 32.160 32.027 0.133 25864 1187 1 10 . 1 1 6 6 LEU N N 6 124.496 124.496 118.402 6.094 25864 1188 1 10 . 1 1 6 6 LEU HA H 6 4.340 4.340 5.004 -0.664 25864 1189 1 10 . 1 1 6 6 LEU CA C 6 52.660 52.660 51.355 1.305 25864 1190 1 10 . 1 1 6 6 LEU CB C 6 41.655 41.655 41.858 -0.203 25864 1191 1 10 . 1 1 7 7 PRO HA H 7 4.808 4.808 4.699 0.109 25864 1192 1 10 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.808 -0.608 25864 1193 1 10 . 1 1 7 7 PRO CB C 7 30.100 30.100 31.133 -1.033 25864 1194 1 10 . 1 1 8 8 PRO HA H 8 4.397 4.397 4.310 0.087 25864 1195 1 10 . 1 1 8 8 PRO CA C 8 64.020 64.020 63.928 0.092 25864 1196 1 10 . 1 1 8 8 PRO CB C 8 32.030 32.030 32.018 0.012 25864 1197 1 10 . 1 1 9 9 GLY N N 9 112.160 112.160 111.258 0.902 25864 1198 1 10 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.923 0.077 25864 1199 1 10 . 1 1 10 10 TRP N N 10 119.103 119.103 122.085 -2.982 25864 1200 1 10 . 1 1 10 10 TRP HA H 10 5.290 5.290 5.021 0.269 25864 1201 1 10 . 1 1 10 10 TRP CA C 10 56.400 56.400 57.636 -1.236 25864 1202 1 10 . 1 1 10 10 TRP CB C 10 32.500 32.500 30.900 1.600 25864 1203 1 10 . 1 1 11 11 GLU N N 11 121.875 121.875 120.908 0.967 25864 1204 1 10 . 1 1 11 11 GLU HA H 11 4.728 4.728 4.836 -0.108 25864 1205 1 10 . 1 1 11 11 GLU CA C 11 54.910 54.910 54.316 0.595 25864 1206 1 10 . 1 1 11 11 GLU CB C 11 34.400 34.400 33.104 1.296 25864 1207 1 10 . 1 1 12 12 GLU N N 12 126.047 126.047 123.190 2.857 25864 1208 1 10 . 1 1 12 12 GLU HA H 12 4.492 4.492 4.399 0.093 25864 1209 1 10 . 1 1 12 12 GLU CA C 12 55.200 55.200 55.821 -0.621 25864 1210 1 10 . 1 1 12 12 GLU CB C 12 32.100 32.100 30.429 1.671 25864 1211 1 10 . 1 1 13 13 ARG N N 13 127.239 127.239 126.528 0.711 25864 1212 1 10 . 1 1 13 13 ARG HA H 13 4.398 4.398 4.569 -0.171 25864 1213 1 10 . 1 1 13 13 ARG CA C 13 53.700 53.700 54.894 -1.194 25864 1214 1 10 . 1 1 13 13 ARG CB C 13 34.450 34.450 33.709 0.741 25864 1215 1 10 . 1 1 14 14 GLN N N 14 116.920 116.920 119.494 -2.574 25864 1216 1 10 . 1 1 14 14 GLN HA H 14 5.388 5.388 4.524 0.864 25864 1217 1 10 . 1 1 14 14 GLN CA C 14 54.500 54.500 54.548 -0.048 25864 1218 1 10 . 1 1 14 14 GLN CB C 14 32.500 32.500 30.778 1.722 25864 1219 1 10 . 1 1 15 15 ASP N N 15 124.757 124.757 126.185 -1.428 25864 1220 1 10 . 1 1 15 15 ASP HA H 15 4.924 4.924 4.407 0.517 25864 1221 1 10 . 1 1 15 15 ASP CA C 15 52.200 52.200 53.643 -1.443 25864 1222 1 10 . 1 1 15 15 ASP CB C 15 41.600 41.600 42.679 -1.079 25864 1223 1 10 . 1 1 16 16 VAL N N 16 116.200 116.200 124.116 -7.916 25864 1224 1 10 . 1 1 16 16 VAL HA H 16 4.060 4.060 3.662 0.398 25864 1225 1 10 . 1 1 16 16 VAL CA C 16 64.400 64.400 65.050 -0.650 25864 1226 1 10 . 1 1 16 16 VAL CB C 16 31.700 31.700 31.820 -0.119 25864 1227 1 10 . 1 1 17 17 LEU N N 17 122.200 122.200 117.093 5.107 25864 1228 1 10 . 1 1 17 17 LEU HA H 17 4.460 4.460 4.302 0.158 25864 1229 1 10 . 1 1 17 17 LEU CA C 17 54.500 54.500 54.593 -0.093 25864 1230 1 10 . 1 1 17 17 LEU CB C 17 42.000 42.000 42.091 -0.091 25864 1231 1 10 . 1 1 18 18 GLY N N 18 110.115 110.115 106.325 3.790 25864 1232 1 10 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.747 0.653 25864 1233 1 10 . 1 1 19 19 ARG N N 19 124.176 124.176 120.514 3.662 25864 1234 1 10 . 1 1 19 19 ARG HA H 19 4.480 4.480 4.498 -0.018 25864 1235 1 10 . 1 1 19 19 ARG CA C 19 56.100 56.100 54.253 1.847 25864 1236 1 10 . 1 1 19 19 ARG CB C 19 31.000 31.000 30.593 0.407 25864 1237 1 10 . 1 1 20 20 THR N N 20 122.884 122.884 118.154 4.730 25864 1238 1 10 . 1 1 20 20 THR HA H 20 4.923 4.923 4.336 0.587 25864 1239 1 10 . 1 1 20 20 THR CA C 20 63.300 63.300 62.404 0.896 25864 1240 1 10 . 1 1 20 20 THR CB C 20 70.100 70.100 68.402 1.698 25864 1241 1 10 . 1 1 21 21 TYR N N 21 124.950 124.950 128.055 -3.105 25864 1242 1 10 . 1 1 21 21 TYR HA H 21 4.600 4.600 4.691 -0.091 25864 1243 1 10 . 1 1 21 21 TYR CA C 21 55.300 55.300 57.998 -2.698 25864 1244 1 10 . 1 1 21 21 TYR CB C 21 38.990 38.990 41.205 -2.215 25864 1245 1 10 . 1 1 22 22 TYR N N 22 117.171 117.171 117.925 -0.754 25864 1246 1 10 . 1 1 22 22 TYR HA H 22 5.390 5.390 5.488 -0.098 25864 1247 1 10 . 1 1 22 22 TYR CA C 22 56.800 56.800 56.643 0.157 25864 1248 1 10 . 1 1 22 22 TYR CB C 22 42.000 42.000 43.156 -1.156 25864 1249 1 10 . 1 1 23 23 VAL N N 23 121.094 121.094 120.553 0.541 25864 1250 1 10 . 1 1 23 23 VAL HA H 23 5.160 5.160 4.772 0.388 25864 1251 1 10 . 1 1 23 23 VAL CA C 23 59.470 59.470 60.186 -0.716 25864 1252 1 10 . 1 1 23 23 VAL CB C 23 35.960 35.960 35.704 0.256 25864 1253 1 10 . 1 1 24 24 ASN N N 24 127.615 127.615 127.289 0.326 25864 1254 1 10 . 1 1 24 24 ASN HA H 24 4.500 4.500 4.640 -0.140 25864 1255 1 10 . 1 1 24 24 ASN CA C 24 51.100 51.100 51.371 -0.271 25864 1256 1 10 . 1 1 24 24 ASN CB C 24 37.900 37.900 38.609 -0.709 25864 1257 1 10 . 1 1 25 25 HIS N N 25 125.650 125.650 124.373 1.277 25864 1258 1 10 . 1 1 25 25 HIS HA H 25 4.183 4.183 4.304 -0.121 25864 1259 1 10 . 1 1 25 25 HIS CA C 25 59.200 59.200 58.346 0.854 25864 1260 1 10 . 1 1 25 25 HIS CB C 25 30.640 30.640 30.725 -0.085 25864 1261 1 10 . 1 1 26 26 GLU N N 26 121.083 121.083 121.604 -0.521 25864 1262 1 10 . 1 1 26 26 GLU HA H 26 4.040 4.040 4.159 -0.119 25864 1263 1 10 . 1 1 26 26 GLU CA C 26 58.780 58.780 59.190 -0.409 25864 1264 1 10 . 1 1 26 26 GLU CB C 26 29.500 29.500 29.824 -0.324 25864 1265 1 10 . 1 1 27 27 SER N N 27 113.187 113.187 111.538 1.649 25864 1266 1 10 . 1 1 27 27 SER HA H 27 4.340 4.340 4.404 -0.064 25864 1267 1 10 . 1 1 27 27 SER CA C 27 58.000 58.000 58.514 -0.514 25864 1268 1 10 . 1 1 27 27 SER CB C 27 64.000 64.000 64.129 -0.130 25864 1269 1 10 . 1 1 28 28 ARG N N 28 120.515 120.515 115.703 4.812 25864 1270 1 10 . 1 1 28 28 ARG HA H 28 3.830 3.830 3.916 -0.086 25864 1271 1 10 . 1 1 28 28 ARG CA C 28 57.000 57.000 56.771 0.229 25864 1272 1 10 . 1 1 28 28 ARG CB C 28 26.500 26.500 26.862 -0.362 25864 1273 1 10 . 1 1 29 29 THR N N 29 114.678 114.678 116.462 -1.784 25864 1274 1 10 . 1 1 29 29 THR HA H 29 4.560 4.560 4.322 0.238 25864 1275 1 10 . 1 1 29 29 THR CA C 29 61.700 61.700 63.012 -1.312 25864 1276 1 10 . 1 1 29 29 THR CB C 29 70.870 70.870 69.318 1.552 25864 1277 1 10 . 1 1 30 30 THR N N 30 120.059 120.059 121.236 -1.177 25864 1278 1 10 . 1 1 30 30 THR HA H 30 5.460 5.460 4.859 0.601 25864 1279 1 10 . 1 1 30 30 THR CA C 30 60.600 60.600 60.784 -0.184 25864 1280 1 10 . 1 1 30 30 THR CB C 30 71.250 71.250 69.851 1.399 25864 1281 1 10 . 1 1 31 31 GLN N N 31 120.513 120.513 125.670 -5.157 25864 1282 1 10 . 1 1 31 31 GLN HA H 31 4.880 4.880 4.785 0.095 25864 1283 1 10 . 1 1 31 31 GLN CA C 31 54.500 54.500 54.396 0.104 25864 1284 1 10 . 1 1 31 31 GLN CB C 31 32.300 32.300 33.358 -1.058 25864 1285 1 10 . 1 1 32 32 TRP N N 32 121.733 121.733 127.830 -6.097 25864 1286 1 10 . 1 1 32 32 TRP HA H 32 4.880 4.880 4.874 0.006 25864 1287 1 10 . 1 1 32 32 TRP CA C 32 58.700 58.700 56.399 2.301 25864 1288 1 10 . 1 1 32 32 TRP CB C 32 30.200 30.200 28.936 1.264 25864 1289 1 10 . 1 1 33 33 LYS N N 33 120.387 120.387 123.123 -2.736 25864 1290 1 10 . 1 1 33 33 LYS HA H 33 4.340 4.340 4.002 0.338 25864 1291 1 10 . 1 1 33 33 LYS CA C 33 55.300 55.300 56.219 -0.919 25864 1292 1 10 . 1 1 33 33 LYS CB C 33 33.680 33.680 34.245 -0.564 25864 1293 1 10 . 1 1 34 34 ARG N N 34 129.060 129.060 125.176 3.884 25864 1294 1 10 . 1 1 34 34 ARG HA H 34 2.720 2.720 3.107 -0.387 25864 1295 1 10 . 1 1 34 34 ARG CA C 34 54.500 54.500 54.795 -0.295 25864 1296 1 10 . 1 1 34 34 ARG CB C 34 30.000 30.000 30.523 -0.523 25864 1297 1 10 . 1 1 35 35 PRO HA H 35 3.840 3.840 3.924 -0.084 25864 1298 1 10 . 1 1 35 35 PRO CA C 35 62.060 62.060 61.915 0.145 25864 1299 1 10 . 1 1 35 35 PRO CB C 35 30.940 30.940 30.650 0.290 25864 1300 1 10 . 1 1 36 36 SER N N 36 119.037 119.037 120.757 -1.720 25864 1301 1 10 . 1 1 36 36 SER HA H 36 4.657 4.657 4.237 0.420 25864 1302 1 10 . 1 1 36 36 SER CA C 36 56.100 56.100 57.290 -1.190 25864 1303 1 10 . 1 1 36 36 SER CB C 36 64.000 64.000 62.888 1.112 25864 1304 1 10 . 1 1 37 37 PRO HA H 37 4.300 4.300 4.371 -0.071 25864 1305 1 10 . 1 1 37 37 PRO CA C 37 64.050 64.050 62.904 1.147 25864 1306 1 10 . 1 1 37 37 PRO CB C 37 32.150 32.150 30.180 1.970 25864 1307 1 10 . 1 1 38 38 GLU N N 38 119.617 119.617 120.123 -0.506 25864 1308 1 10 . 1 1 38 38 GLU HA H 38 4.290 4.290 4.287 0.003 25864 1309 1 10 . 1 1 38 38 GLU CA C 38 56.440 56.440 55.659 0.781 25864 1310 1 10 . 1 1 38 38 GLU CB C 38 30.270 30.270 28.291 1.979 25864 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 30 3.105 -0.762 3.062 25864 2 1 1 "Average Difference" HA 35 0.370 -0.073 0.368 25864 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25864 4 1 1 "Average Difference" CA 35 0.733 -0.015 0.743 25864 5 1 1 "Average Difference" CB 33 1.000 -0.321 0.961 25864 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 25864 7 1 2 "Average Difference" N 30 2.911 0.213 2.953 25864 8 1 2 "Average Difference" HA 35 0.407 -0.101 0.400 25864 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25864 10 1 2 "Average Difference" CA 35 0.933 0.014 0.947 25864 11 1 2 "Average Difference" CB 33 1.124 -0.388 1.072 25864 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 25864 13 1 3 "Average Difference" N 30 2.987 -0.385 3.013 25864 14 1 3 "Average Difference" HA 35 0.311 -0.104 0.297 25864 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25864 16 1 3 "Average Difference" CA 35 0.740 0.092 0.745 25864 17 1 3 "Average Difference" CB 33 1.247 -0.509 1.156 25864 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 25864 19 1 4 "Average Difference" N 30 3.158 -0.292 3.199 25864 20 1 4 "Average Difference" HA 35 0.363 -0.078 0.360 25864 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25864 22 1 4 "Average Difference" CA 35 0.630 -0.004 0.640 25864 23 1 4 "Average Difference" CB 33 1.279 -0.408 1.231 25864 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 25864 25 1 5 "Average Difference" N 30 3.028 -0.301 3.064 25864 26 1 5 "Average Difference" HA 35 0.408 -0.065 0.409 25864 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25864 28 1 5 "Average Difference" CA 35 0.976 0.057 0.989 25864 29 1 5 "Average Difference" CB 33 1.291 -0.593 1.164 25864 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 25864 31 1 6 "Average Difference" N 30 3.318 -0.303 3.361 25864 32 1 6 "Average Difference" HA 35 0.373 -0.064 0.373 25864 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25864 34 1 6 "Average Difference" CA 35 0.884 -0.154 0.883 25864 35 1 6 "Average Difference" CB 33 1.258 -0.496 1.174 25864 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 25864 37 1 7 "Average Difference" N 30 2.998 -0.491 3.009 25864 38 1 7 "Average Difference" HA 35 0.345 -0.056 0.345 25864 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25864 40 1 7 "Average Difference" CA 35 0.868 -0.028 0.880 25864 41 1 7 "Average Difference" CB 33 1.197 -0.349 1.163 25864 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 25864 43 1 8 "Average Difference" N 30 3.400 -1.060 3.286 25864 44 1 8 "Average Difference" HA 35 0.374 -0.025 0.379 25864 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25864 46 1 8 "Average Difference" CA 35 0.784 0.003 0.796 25864 47 1 8 "Average Difference" CB 33 1.197 -0.275 1.183 25864 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 25864 49 1 9 "Average Difference" N 30 2.794 -1.057 2.630 25864 50 1 9 "Average Difference" HA 35 0.351 -0.029 0.354 25864 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25864 52 1 9 "Average Difference" CA 35 0.787 -0.046 0.797 25864 53 1 9 "Average Difference" CB 33 0.861 -0.235 0.841 25864 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 25864 55 1 10 "Average Difference" N 30 3.352 -0.122 3.407 25864 56 1 10 "Average Difference" HA 35 0.326 -0.111 0.311 25864 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25864 58 1 10 "Average Difference" CA 35 0.983 0.077 0.994 25864 59 1 10 "Average Difference" CB 33 1.112 -0.256 1.099 25864 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 25864 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 25864 _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 4 4 SER N N 4 119.600 119.600 118.507 1.093 25864 2 1 . 1 1 4 4 SER HA H 4 4.758 4.758 4.673 0.085 25864 3 1 . 1 1 4 4 SER CA C 4 56.570 56.570 56.893 -0.323 25864 4 1 . 1 1 4 4 SER CB C 4 62.730 62.730 63.534 -0.804 25864 5 1 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.529 -0.129 25864 6 1 . 1 1 5 5 PRO CA C 5 62.900 62.900 62.952 -0.052 25864 7 1 . 1 1 5 5 PRO CB C 5 32.160 32.160 31.746 0.414 25864 8 1 . 1 1 6 6 LEU N N 6 124.496 124.496 122.340 2.156 25864 9 1 . 1 1 6 6 LEU HA H 6 4.340 4.340 4.670 -0.330 25864 10 1 . 1 1 6 6 LEU CA C 6 52.660 52.660 51.666 0.994 25864 11 1 . 1 1 6 6 LEU CB C 6 41.655 41.655 41.943 -0.288 25864 12 1 . 1 1 7 7 PRO HA H 7 4.808 4.808 4.628 0.180 25864 13 1 . 1 1 7 7 PRO CA C 7 61.200 61.200 61.694 -0.494 25864 14 1 . 1 1 7 7 PRO CB C 7 30.100 30.100 31.075 -0.975 25864 15 1 . 1 1 8 8 PRO HA H 8 4.397 4.397 4.345 0.052 25864 16 1 . 1 1 8 8 PRO CA C 8 64.020 64.020 64.089 -0.069 25864 17 1 . 1 1 8 8 PRO CB C 8 32.030 32.030 31.716 0.314 25864 18 1 . 1 1 9 9 GLY N N 9 112.160 112.160 110.939 1.221 25864 19 1 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.748 0.252 25864 20 1 . 1 1 10 10 TRP N N 10 119.103 119.103 122.581 -3.479 25864 21 1 . 1 1 10 10 TRP HA H 10 5.290 5.290 4.910 0.380 25864 22 1 . 1 1 10 10 TRP CA C 10 56.400 56.400 57.659 -1.259 25864 23 1 . 1 1 10 10 TRP CB C 10 32.500 32.500 30.099 2.401 25864 24 1 . 1 1 11 11 GLU N N 11 121.875 121.875 122.719 -0.845 25864 25 1 . 1 1 11 11 GLU HA H 11 4.728 4.728 4.752 -0.024 25864 26 1 . 1 1 11 11 GLU CA C 11 54.910 54.910 54.449 0.461 25864 27 1 . 1 1 11 11 GLU CB C 11 34.400 34.400 32.718 1.682 25864 28 1 . 1 1 12 12 GLU N N 12 126.047 126.047 124.122 1.925 25864 29 1 . 1 1 12 12 GLU HA H 12 4.492 4.492 4.165 0.327 25864 30 1 . 1 1 12 12 GLU CA C 12 55.200 55.200 56.284 -1.084 25864 31 1 . 1 1 12 12 GLU CB C 12 32.100 32.100 30.117 1.983 25864 32 1 . 1 1 13 13 ARG N N 13 127.239 127.239 125.539 1.700 25864 33 1 . 1 1 13 13 ARG HA H 13 4.398 4.398 4.515 -0.117 25864 34 1 . 1 1 13 13 ARG CA C 13 53.700 53.700 53.602 0.098 25864 35 1 . 1 1 13 13 ARG CB C 13 34.450 34.450 33.489 0.961 25864 36 1 . 1 1 14 14 GLN N N 14 116.920 116.920 119.346 -2.426 25864 37 1 . 1 1 14 14 GLN HA H 14 5.388 5.388 4.568 0.820 25864 38 1 . 1 1 14 14 GLN CA C 14 54.500 54.500 54.539 -0.040 25864 39 1 . 1 1 14 14 GLN CB C 14 32.500 32.500 30.852 1.648 25864 40 1 . 1 1 15 15 ASP N N 15 124.757 124.757 122.776 1.982 25864 41 1 . 1 1 15 15 ASP HA H 15 4.924 4.924 4.838 0.086 25864 42 1 . 1 1 15 15 ASP CA C 15 52.200 52.200 53.111 -0.911 25864 43 1 . 1 1 15 15 ASP CB C 15 41.600 41.600 43.114 -1.514 25864 44 1 . 1 1 16 16 VAL N N 16 116.200 116.200 119.933 -3.733 25864 45 1 . 1 1 16 16 VAL HA H 16 4.060 4.060 3.903 0.158 25864 46 1 . 1 1 16 16 VAL CA C 16 64.400 64.400 64.549 -0.149 25864 47 1 . 1 1 16 16 VAL CB C 16 31.700 31.700 31.834 -0.134 25864 48 1 . 1 1 17 17 LEU N N 17 122.200 122.200 118.547 3.653 25864 49 1 . 1 1 17 17 LEU HA H 17 4.460 4.460 4.262 0.198 25864 50 1 . 1 1 17 17 LEU CA C 17 54.500 54.500 55.483 -0.984 25864 51 1 . 1 1 17 17 LEU CB C 17 42.000 42.000 42.256 -0.256 25864 52 1 . 1 1 18 18 GLY N N 18 110.115 110.115 104.630 5.485 25864 53 1 . 1 1 18 18 GLY CA C 18 45.400 45.400 44.788 0.612 25864 54 1 . 1 1 19 19 ARG N N 19 124.176 124.176 121.900 2.276 25864 55 1 . 1 1 19 19 ARG HA H 19 4.480 4.480 4.353 0.127 25864 56 1 . 1 1 19 19 ARG CA C 19 56.100 56.100 55.074 1.026 25864 57 1 . 1 1 19 19 ARG CB C 19 31.000 31.000 29.978 1.022 25864 58 1 . 1 1 20 20 THR N N 20 122.884 122.884 120.469 2.415 25864 59 1 . 1 1 20 20 THR HA H 20 4.923 4.923 4.537 0.386 25864 60 1 . 1 1 20 20 THR CA C 20 63.300 63.300 62.440 0.860 25864 61 1 . 1 1 20 20 THR CB C 20 70.100 70.100 68.596 1.504 25864 62 1 . 1 1 21 21 TYR N N 21 124.950 124.950 126.126 -1.176 25864 63 1 . 1 1 21 21 TYR HA H 21 4.600 4.600 4.762 -0.162 25864 64 1 . 1 1 21 21 TYR CA C 21 55.300 55.300 55.352 -0.052 25864 65 1 . 1 1 21 21 TYR CB C 21 38.990 38.990 39.655 -0.665 25864 66 1 . 1 1 22 22 TYR N N 22 117.171 117.171 119.056 -1.885 25864 67 1 . 1 1 22 22 TYR HA H 22 5.390 5.390 5.372 0.018 25864 68 1 . 1 1 22 22 TYR CA C 22 56.800 56.800 56.494 0.306 25864 69 1 . 1 1 22 22 TYR CB C 22 42.000 42.000 41.773 0.227 25864 70 1 . 1 1 23 23 VAL N N 23 121.094 121.094 119.887 1.207 25864 71 1 . 1 1 23 23 VAL HA H 23 5.160 5.160 4.764 0.396 25864 72 1 . 1 1 23 23 VAL CA C 23 59.470 59.470 59.522 -0.052 25864 73 1 . 1 1 23 23 VAL CB C 23 35.960 35.960 35.418 0.542 25864 74 1 . 1 1 24 24 ASN N N 24 127.615 127.615 127.016 0.599 25864 75 1 . 1 1 24 24 ASN HA H 24 4.500 4.500 4.537 -0.037 25864 76 1 . 1 1 24 24 ASN CA C 24 51.100 51.100 52.017 -0.917 25864 77 1 . 1 1 24 24 ASN CB C 24 37.900 37.900 38.910 -1.010 25864 78 1 . 1 1 25 25 HIS N N 25 125.650 125.650 124.850 0.800 25864 79 1 . 1 1 25 25 HIS HA H 25 4.183 4.183 4.280 -0.097 25864 80 1 . 1 1 25 25 HIS CA C 25 59.200 59.200 58.604 0.596 25864 81 1 . 1 1 25 25 HIS CB C 25 30.640 30.640 30.418 0.222 25864 82 1 . 1 1 26 26 GLU N N 26 121.083 121.083 119.613 1.470 25864 83 1 . 1 1 26 26 GLU HA H 26 4.040 4.040 4.195 -0.155 25864 84 1 . 1 1 26 26 GLU CA C 26 58.780 58.780 58.326 0.454 25864 85 1 . 1 1 26 26 GLU CB C 26 29.500 29.500 30.079 -0.579 25864 86 1 . 1 1 27 27 SER N N 27 113.187 113.187 112.625 0.562 25864 87 1 . 1 1 27 27 SER HA H 27 4.340 4.340 4.421 -0.081 25864 88 1 . 1 1 27 27 SER CA C 27 58.000 58.000 58.434 -0.434 25864 89 1 . 1 1 27 27 SER CB C 27 64.000 64.000 63.764 0.236 25864 90 1 . 1 1 28 28 ARG N N 28 120.515 120.515 117.070 3.445 25864 91 1 . 1 1 28 28 ARG HA H 28 3.830 3.830 4.000 -0.170 25864 92 1 . 1 1 28 28 ARG CA C 28 57.000 57.000 56.910 0.090 25864 93 1 . 1 1 28 28 ARG CB C 28 26.500 26.500 27.096 -0.596 25864 94 1 . 1 1 29 29 THR N N 29 114.678 114.678 115.463 -0.785 25864 95 1 . 1 1 29 29 THR HA H 29 4.560 4.560 4.338 0.222 25864 96 1 . 1 1 29 29 THR CA C 29 61.700 61.700 62.361 -0.661 25864 97 1 . 1 1 29 29 THR CB C 29 70.870 70.870 69.740 1.130 25864 98 1 . 1 1 30 30 THR N N 30 120.059 120.059 119.455 0.604 25864 99 1 . 1 1 30 30 THR HA H 30 5.460 5.460 5.212 0.248 25864 100 1 . 1 1 30 30 THR CA C 30 60.600 60.600 60.401 0.199 25864 101 1 . 1 1 30 30 THR CB C 30 71.250 71.250 70.235 1.015 25864 102 1 . 1 1 31 31 GLN N N 31 120.513 120.513 124.983 -4.470 25864 103 1 . 1 1 31 31 GLN HA H 31 4.880 4.880 4.743 0.137 25864 104 1 . 1 1 31 31 GLN CA C 31 54.500 54.500 54.697 -0.198 25864 105 1 . 1 1 31 31 GLN CB C 31 32.300 32.300 32.794 -0.494 25864 106 1 . 1 1 32 32 TRP N N 32 121.733 121.733 126.671 -4.938 25864 107 1 . 1 1 32 32 TRP HA H 32 4.880 4.880 4.830 0.050 25864 108 1 . 1 1 32 32 TRP CA C 32 58.700 58.700 57.779 0.921 25864 109 1 . 1 1 32 32 TRP CB C 32 30.200 30.200 30.133 0.067 25864 110 1 . 1 1 33 33 LYS N N 33 120.387 120.387 120.082 0.305 25864 111 1 . 1 1 33 33 LYS HA H 33 4.340 4.340 4.365 -0.025 25864 112 1 . 1 1 33 33 LYS CA C 33 55.300 55.300 55.559 -0.259 25864 113 1 . 1 1 33 33 LYS CB C 33 33.680 33.680 33.404 0.277 25864 114 1 . 1 1 34 34 ARG N N 34 129.060 129.060 123.695 5.365 25864 115 1 . 1 1 34 34 ARG HA H 34 2.720 2.720 3.808 -1.088 25864 116 1 . 1 1 34 34 ARG CA C 34 54.500 54.500 54.173 0.327 25864 117 1 . 1 1 34 34 ARG CB C 34 30.000 30.000 29.570 0.430 25864 118 1 . 1 1 35 35 PRO HA H 35 3.840 3.840 4.057 -0.217 25864 119 1 . 1 1 35 35 PRO CA C 35 62.060 62.060 62.237 -0.177 25864 120 1 . 1 1 35 35 PRO CB C 35 30.940 30.940 31.224 -0.284 25864 121 1 . 1 1 36 36 SER N N 36 119.037 119.037 119.841 -0.804 25864 122 1 . 1 1 36 36 SER HA H 36 4.657 4.657 4.401 0.256 25864 123 1 . 1 1 36 36 SER CA C 36 56.100 56.100 56.666 -0.566 25864 124 1 . 1 1 36 36 SER CB C 36 64.000 64.000 62.834 1.166 25864 125 1 . 1 1 37 37 PRO HA H 37 4.300 4.300 4.408 -0.108 25864 126 1 . 1 1 37 37 PRO CA C 37 64.050 64.050 63.273 0.777 25864 127 1 . 1 1 37 37 PRO CB C 37 32.150 32.150 31.203 0.948 25864 128 1 . 1 1 38 38 GLU N N 38 119.617 119.617 119.661 -0.044 25864 129 1 . 1 1 38 38 GLU HA H 38 4.290 4.290 4.259 0.031 25864 130 1 . 1 1 38 38 GLU CA C 38 56.440 56.440 55.724 0.716 25864 131 1 . 1 1 38 38 GLU CB C 38 30.270 30.270 28.226 2.044 25864 stop_ save_