data_nef_c19487_2mdi save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 19483 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 ASP middle . . 4 A 4 LEU middle . . 5 A 5 PRO middle . false 6 A 6 PRO middle . false 7 A 7 PRO middle . false 8 A 8 SER middle . . 9 A 9 PRO middle . false 10 A 10 PRO middle . false 11 A 11 ALA middle . . 12 A 12 ALA middle . . 13 A 13 ALA middle . . 14 A 14 THR middle . . 15 A 15 ILE middle . . 16 A 16 VAL middle . . 17 A 17 LEU middle . . 18 A 18 PRO middle . false 19 A 19 PRO middle . false 20 A 20 ASN middle . . 21 A 21 TRP middle . . 22 A 22 LYS middle . . 23 A 23 THR middle . . 24 A 24 ALA middle . . 25 A 25 ARG middle . . 26 A 26 ASP middle . . 27 A 27 PRO middle . false 28 A 28 GLU middle . . 29 A 29 GLY middle . false 30 A 30 LYS middle . . 31 A 31 ILE middle . . 32 A 32 TYR middle . . 33 A 33 TYR middle . . 34 A 34 TYR middle . . 35 A 35 HIS middle . . 36 A 36 VAL middle . . 37 A 37 ILE middle . . 38 A 38 THR middle . . 39 A 39 ARG middle . . 40 A 40 GLN middle . . 41 A 41 THR middle . . 42 A 42 GLN middle . . 43 A 43 TRP middle . . 44 A 44 ASP middle . . 45 A 45 PRO middle . false 46 A 46 PRO middle . false 47 A 47 THR middle . . 48 A 48 TRP middle . . 49 A 49 GLU middle . . 50 A 50 SER middle . . 51 A 51 PRO middle . false 52 A 52 GLY middle . false 53 A 53 ASP middle . . 54 A 54 ASP middle . . 55 A 55 ALA middle . . 56 A 56 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 SER H H 1 8.038 0.000 A 2 SER HA H 1 4.489 0.007 A 2 SER HBy H 1 4.211 0.008 A 2 SER HBx H 1 3.832 0.009 A 2 SER C C 13 176.003 0.000 A 2 SER CA C 13 58.265 0.030 A 2 SER CB C 13 63.93 0.062 A 2 SER N N 15 117.407 0.000 A 3 ASP H H 1 8.506 0.003 A 3 ASP HA H 1 4.589 0.012 A 3 ASP HBy H 1 2.674 0.000 A 3 ASP HBx H 1 2.624 0.001 A 3 ASP C C 13 175.831 0.000 A 3 ASP CA C 13 54.207 0.106 A 3 ASP CB C 13 41.183 0.014 A 3 ASP N N 15 122.561 0.021 A 4 LEU H H 1 8.187 0.002 A 4 LEU HA H 1 4.548 0.004 A 4 LEU HBy H 1 1.655 0.003 A 4 LEU HBx H 1 1.511 0.010 A 4 LEU HG H 1 0.882 0.003 A 4 LEU CA C 13 53.089 0.056 A 4 LEU N N 15 123.656 0.020 A 7 PRO HA H 1 4.361 0.009 A 7 PRO HBy H 1 2.157 0.005 A 7 PRO HBx H 1 1.841 0.007 A 7 PRO HG2 H 1 1.517 0.010 A 7 PRO HG3 H 1 1.517 0.010 A 7 PRO C C 13 175.043 0.000 A 7 PRO CA C 13 61.87 0.042 A 7 PRO CB C 13 32.143 0.055 A 7 PRO CG C 13 27.823 0.000 A 8 SER H H 1 8.302 0.004 A 8 SER HA H 1 3.925 0.005 A 8 SER HBy H 1 3.693 0.008 A 8 SER HBx H 1 3.549 0.002 A 8 SER CA C 13 57.475 0.040 A 8 SER CB C 13 62.096 0.084 A 8 SER N N 15 116.762 0.017 A 11 ALA HA H 1 4.218 0.006 A 11 ALA HB% H 1 1.435 0.004 A 11 ALA C C 13 178.565 0.000 A 11 ALA CA C 13 52.637 0.038 A 11 ALA CB C 13 18.863 0.064 A 12 ALA H H 1 8.596 0.003 A 12 ALA HA H 1 4.247 0.008 A 12 ALA HB% H 1 1.371 0.009 A 12 ALA C C 13 177.718 0.000 A 12 ALA CA C 13 53.529 0.068 A 12 ALA CB C 13 19.033 0.054 A 12 ALA N N 15 125.155 0.022 A 13 ALA H H 1 8.117 0.004 A 13 ALA HA H 1 4.387 0.006 A 13 ALA HB% H 1 1.379 0.004 A 13 ALA C C 13 177.521 0.000 A 13 ALA CA C 13 52.079 0.035 A 13 ALA CB C 13 19.732 0.052 A 13 ALA N N 15 122.474 0.031 A 14 THR H H 1 8.202 0.006 A 14 THR HA H 1 4.196 0.000 A 14 THR HG2% H 1 1.183 0.002 A 14 THR C C 13 174.319 0.000 A 14 THR CA C 13 62.631 0.073 A 14 THR CB C 13 69.638 0.055 A 14 THR CG2 C 13 21.868 0.100 A 14 THR N N 15 114.271 0.008 A 15 ILE H H 1 8.149 0.005 A 15 ILE HA H 1 4.139 0.014 A 15 ILE HB H 1 1.814 0.003 A 15 ILE HD1% H 1 0.768 0.007 A 15 ILE HG12 H 1 1.465 0.011 A 15 ILE HG13 H 1 1.465 0.011 A 15 ILE HG2% H 1 0.812 0.008 A 15 ILE C C 13 175.396 0.000 A 15 ILE CA C 13 61.025 0.062 A 15 ILE CB C 13 38.834 0.046 A 15 ILE CD1 C 13 13.212 0.133 A 15 ILE CG1 C 13 27.357 0.073 A 15 ILE CG2 C 13 17.44 0.042 A 15 ILE N N 15 125.881 0.020 A 16 VAL H H 1 8.453 0.003 A 16 VAL HA H 1 4.104 0.007 A 16 VAL HB H 1 2.007 0.007 A 16 VAL HGx% H 1 0.945 0.005 A 16 VAL HGy% H 1 0.918 0.007 A 16 VAL C C 13 175.476 0.000 A 16 VAL CA C 13 62.134 0.053 A 16 VAL CB C 13 32.473 0.065 A 16 VAL CGy C 13 22.475 0.000 A 16 VAL CGx C 13 21.229 0.015 A 16 VAL N N 15 128.849 0.019 A 17 LEU H H 1 8.538 0.005 A 17 LEU HA H 1 4.587 0.009 A 17 LEU HBy H 1 1.673 0.006 A 17 LEU HBx H 1 1.300 0.003 A 17 LEU HDx% H 1 0.932 0.012 A 17 LEU HDy% H 1 0.711 0.004 A 17 LEU CA C 13 52.193 0.035 A 17 LEU CB C 13 42.309 0.052 A 17 LEU N N 15 128.264 0.018 A 19 PRO HA H 1 4.200 0.002 A 19 PRO HBy H 1 2.264 0.009 A 19 PRO HBx H 1 1.719 0.006 A 19 PRO HDy H 1 3.437 0.006 A 19 PRO HDx H 1 3.272 0.014 A 19 PRO HGy H 1 2.041 0.009 A 19 PRO HGx H 1 1.982 0.003 A 19 PRO C C 13 176.905 0.000 A 19 PRO CA C 13 63.913 0.035 A 19 PRO CB C 13 32.066 0.047 A 19 PRO CD C 13 50.223 0.070 A 19 PRO CG C 13 27.708 0.103 A 20 ASN H H 1 8.543 0.003 A 20 ASN HA H 1 3.984 0.006 A 20 ASN HBx H 1 2.777 0.006 A 20 ASN HD2y H 1 7.441 0.003 A 20 ASN HD2x H 1 7.026 0.003 A 20 ASN C C 13 172.258 0.000 A 20 ASN CA C 13 55.148 0.049 A 20 ASN CB C 13 36.841 0.064 A 20 ASN N N 15 111.422 0.129 A 20 ASN ND2 N 15 114.058 0.030 A 21 TRP H H 1 7.400 0.009 A 21 TRP HA H 1 5.082 0.021 A 21 TRP HBy H 1 2.936 0.009 A 21 TRP HBx H 1 2.831 0.005 A 21 TRP HE1 H 1 10.430 0.000 A 21 TRP C C 13 175.610 0.000 A 21 TRP CA C 13 57.096 0.052 A 21 TRP CB C 13 31.695 0.034 A 21 TRP N N 15 117.593 0.014 A 21 TRP NE1 N 15 129.244 0.000 A 22 LYS H H 1 9.007 0.003 A 22 LYS HA H 1 4.532 0.005 A 22 LYS HBx H 1 1.538 0.006 A 22 LYS HDy H 1 1.592 0.004 A 22 LYS HDx H 1 1.541 0.015 A 22 LYS HEy H 1 2.917 0.020 A 22 LYS HEx H 1 2.859 0.002 A 22 LYS HGy H 1 1.098 0.016 A 22 LYS HGx H 1 1.053 0.014 A 22 LYS C C 13 174.616 0.000 A 22 LYS CA C 13 54.332 0.033 A 22 LYS CD C 13 29.073 0.038 A 22 LYS CE C 13 42.191 0.035 A 22 LYS CG C 13 25.618 0.063 A 22 LYS N N 15 121.362 0.045 A 23 THR H H 1 7.757 0.009 A 23 THR HA H 1 4.986 0.005 A 23 THR HB H 1 3.883 0.007 A 23 THR HG2% H 1 1.082 0.003 A 23 THR C C 13 173.623 0.000 A 23 THR CA C 13 59.791 0.030 A 23 THR CB C 13 71.679 0.063 A 23 THR CG2 C 13 22.959 0.080 A 23 THR N N 15 108.761 0.017 A 24 ALA H H 1 8.352 0.005 A 24 ALA HA H 1 4.332 0.008 A 24 ALA C C 13 173.702 0.000 A 24 ALA CA C 13 50.62 0.029 A 24 ALA CB C 13 21.927 0.050 A 24 ALA N N 15 124.455 0.034 A 25 ARG H H 1 7.882 0.020 A 25 ARG HBy H 1 1.660 0.010 A 25 ARG HBx H 1 1.612 0.017 A 25 ARG HDy H 1 3.022 0.006 A 25 ARG HDx H 1 2.885 0.000 A 25 ARG HGy H 1 1.557 0.012 A 25 ARG HGx H 1 1.460 0.008 A 25 ARG C C 13 176.810 0.000 A 25 ARG CA C 13 53.6 0.052 A 25 ARG CB C 13 33.731 0.055 A 25 ARG CD C 13 43.567 0.000 A 25 ARG CG C 13 27.214 0.041 A 25 ARG N N 15 115.144 0.012 A 26 ASP H H 1 9.402 0.004 A 26 ASP HA H 1 4.951 0.006 A 26 ASP HBy H 1 3.511 0.002 A 26 ASP HBx H 1 2.887 0.006 A 26 ASP CA C 13 52.811 0.039 A 26 ASP CB C 13 40.672 0.013 A 26 ASP N N 15 126.595 0.021 A 27 PRO HA H 1 4.398 0.004 A 27 PRO HBy H 1 2.497 0.001 A 27 PRO HBx H 1 1.984 0.023 A 27 PRO HDy H 1 3.971 0.004 A 27 PRO HDx H 1 3.741 0.012 A 27 PRO HGy H 1 2.256 0.000 A 27 PRO HGx H 1 2.166 0.009 A 27 PRO C C 13 177.645 0.000 A 27 PRO CA C 13 65.772 0.067 A 27 PRO CB C 13 32.111 0.026 A 27 PRO CD C 13 51.355 0.037 A 27 PRO CG C 13 28.181 0.024 A 28 GLU H H 1 7.970 0.003 A 28 GLU HA H 1 4.434 0.003 A 28 GLU HB2 H 1 2.294 0.010 A 28 GLU HB3 H 1 2.294 0.010 A 28 GLU HG2 H 1 2.298 0.002 A 28 GLU HG3 H 1 2.298 0.002 A 28 GLU C C 13 176.259 0.000 A 28 GLU CA C 13 55.837 0.044 A 28 GLU CB C 13 30.536 0.090 A 28 GLU CG C 13 36.922 0.019 A 28 GLU N N 15 115.064 0.085 A 29 GLY H H 1 8.445 0.003 A 29 GLY HAy H 1 4.617 0.006 A 29 GLY HAx H 1 3.674 0.006 A 29 GLY C C 13 175.283 0.000 A 29 GLY CA C 13 45.501 0.060 A 29 GLY N N 15 107.797 0.021 A 30 LYS H H 1 9.011 0.005 A 30 LYS C C 13 176.712 0.000 A 30 LYS CA C 13 57.736 0.011 A 30 LYS CB C 13 32.661 0.073 A 30 LYS CD C 13 29.132 0.000 A 30 LYS CG C 13 25.291 0.000 A 30 LYS N N 15 124.471 0.020 A 31 ILE H H 1 8.425 0.004 A 31 ILE HA H 1 4.790 0.015 A 31 ILE HB H 1 1.695 0.030 A 31 ILE HD1% H 1 0.717 0.007 A 31 ILE HG1y H 1 1.484 0.006 A 31 ILE HG1x H 1 1.069 0.004 A 31 ILE HG2% H 1 0.826 0.015 A 31 ILE C C 13 174.765 0.000 A 31 ILE CA C 13 61.312 0.014 A 31 ILE CB C 13 39.514 0.063 A 31 ILE CD1 C 13 13.565 0.146 A 31 ILE CG1 C 13 29.298 0.054 A 31 ILE CG2 C 13 17.193 0.035 A 31 ILE N N 15 125.370 0.023 A 32 TYR H H 1 8.673 0.004 A 32 TYR HA H 1 4.910 0.010 A 32 TYR HBy H 1 3.028 0.005 A 32 TYR HBx H 1 2.447 0.004 A 32 TYR C C 13 170.944 0.000 A 32 TYR CA C 13 55.548 0.038 A 32 TYR CB C 13 39.647 0.031 A 32 TYR N N 15 121.507 0.019 A 33 TYR H H 1 8.700 0.004 A 33 TYR HA H 1 5.415 0.005 A 33 TYR HBy H 1 3.023 0.014 A 33 TYR HBx H 1 2.736 0.009 A 33 TYR C C 13 175.515 0.000 A 33 TYR CA C 13 56.55 0.041 A 33 TYR CB C 13 42.035 0.069 A 33 TYR N N 15 116.433 0.018 A 34 TYR H H 1 9.324 0.006 A 34 TYR HB2 H 1 2.661 0.004 A 34 TYR HB3 H 1 2.661 0.004 A 34 TYR C C 13 171.057 0.000 A 34 TYR CA C 13 55.465 0.055 A 34 TYR CB C 13 43.75 0.013 A 34 TYR N N 15 117.980 0.016 A 35 HIS H H 1 7.704 0.010 A 35 HIS HA H 1 3.878 0.006 A 35 HIS HBx H 1 2.853 0.007 A 35 HIS C C 13 178.739 0.000 A 35 HIS CA C 13 54.747 0.057 A 35 HIS CB C 13 32.302 0.061 A 35 HIS N N 15 124.333 0.024 A 36 VAL H H 1 8.559 0.004 A 36 VAL HA H 1 3.753 0.004 A 36 VAL HB H 1 1.960 0.004 A 36 VAL HGx% H 1 0.751 0.006 A 36 VAL HGy% H 1 0.761 0.004 A 36 VAL C C 13 176.638 0.000 A 36 VAL CA C 13 64.697 0.049 A 36 VAL CB C 13 32.06 0.066 A 36 VAL CGy C 13 21.432 0.045 A 36 VAL CGx C 13 20.793 0.096 A 36 VAL N N 15 123.002 0.021 A 37 ILE H H 1 8.904 0.007 A 37 ILE HA H 1 4.194 0.005 A 37 ILE HB H 1 2.065 0.007 A 37 ILE HD1% H 1 0.799 0.005 A 37 ILE HG1y H 1 1.487 0.006 A 37 ILE HG1x H 1 1.164 0.009 A 37 ILE C C 13 178.269 0.000 A 37 ILE CA C 13 62.546 0.089 A 37 ILE CB C 13 38.259 0.054 A 37 ILE CD1 C 13 11.259 0.101 A 37 ILE CG1 C 13 27.409 0.060 A 37 ILE CG2 C 13 17.398 0.000 A 37 ILE N N 15 120.608 0.013 A 38 THR H H 1 8.942 0.003 A 38 THR HA H 1 4.014 0.004 A 38 THR HB H 1 4.243 0.004 A 38 THR HG2% H 1 0.777 0.009 A 38 THR C C 13 176.608 0.000 A 38 THR CA C 13 63.181 0.035 A 38 THR CB C 13 69.34 0.041 A 38 THR CG2 C 13 21.1 0.081 A 38 THR N N 15 112.000 0.009 A 39 ARG H H 1 8.111 0.005 A 39 ARG HA H 1 4.019 0.009 A 39 ARG HBy H 1 2.122 0.027 A 39 ARG HBx H 1 2.022 0.021 A 39 ARG HD2 H 1 3.109 0.007 A 39 ARG HD3 H 1 3.109 0.007 A 39 ARG HGy H 1 1.566 0.012 A 39 ARG HGx H 1 1.471 0.006 A 39 ARG C C 13 174.659 0.000 A 39 ARG CA C 13 56.924 0.049 A 39 ARG CD C 13 42.492 0.046 A 39 ARG CG C 13 26.772 0.012 A 39 ARG N N 15 113.683 0.023 A 40 GLN H H 1 7.740 0.007 A 40 GLN HA H 1 4.335 0.009 A 40 GLN HBy H 1 2.048 0.005 A 40 GLN HBx H 1 1.998 0.019 A 40 GLN HE2y H 1 7.913 0.002 A 40 GLN HE2x H 1 7.043 0.099 A 40 GLN HGy H 1 2.409 0.004 A 40 GLN HGx H 1 2.215 0.004 A 40 GLN C C 13 174.969 0.000 A 40 GLN CA C 13 56.216 0.047 A 40 GLN CB C 13 29.661 0.033 A 40 GLN CG C 13 33.952 0.048 A 40 GLN N N 15 118.822 0.016 A 40 GLN NE2 N 15 113.412 0.016 A 41 THR H H 1 8.192 0.004 A 41 THR HB H 1 3.931 0.005 A 41 THR HG2% H 1 1.273 0.004 A 41 THR C C 13 174.918 0.000 A 41 THR CA C 13 59.191 0.023 A 41 THR CB C 13 73.145 0.209 A 41 THR CG2 C 13 22.428 0.065 A 41 THR N N 15 110.403 0.016 A 42 GLN H H 1 9.120 0.004 A 42 GLN HA H 1 4.785 0.015 A 42 GLN HE2y H 1 7.533 0.001 A 42 GLN HE2x H 1 6.380 0.002 A 42 GLN HGy H 1 2.347 0.015 A 42 GLN HGx H 1 2.166 0.003 A 42 GLN C C 13 174.918 0.000 A 42 GLN CA C 13 55.285 0.061 A 42 GLN CB C 13 32.073 0.090 A 42 GLN N N 15 113.850 0.018 A 42 GLN NE2 N 15 112.561 0.028 A 43 TRP H H 1 9.019 0.005 A 43 TRP HA H 1 5.119 0.007 A 43 TRP HBy H 1 3.613 0.004 A 43 TRP HBx H 1 3.226 0.003 A 43 TRP HE1 H 1 9.891 0.000 A 43 TRP C C 13 176.115 0.000 A 43 TRP CA C 13 59.184 0.045 A 43 TRP CB C 13 31.495 0.051 A 43 TRP N N 15 120.166 0.022 A 43 TRP NE1 N 15 129.099 0.000 A 44 ASP H H 1 7.976 0.003 A 44 ASP HA H 1 5.113 0.006 A 44 ASP HBy H 1 2.660 0.007 A 44 ASP HBx H 1 2.324 0.004 A 44 ASP CA C 13 51.787 0.021 A 44 ASP CB C 13 40.54 0.100 A 44 ASP N N 15 115.913 0.049 A 46 PRO HA H 1 3.808 0.002 A 46 PRO C C 13 175.510 0.000 A 46 PRO CA C 13 61.219 0.053 A 46 PRO CB C 13 30.572 0.044 A 46 PRO CD C 13 49.607 0.022 A 46 PRO CG C 13 26.413 0.042 A 47 THR H H 1 7.690 0.005 A 47 THR HA H 1 4.234 0.005 A 47 THR HB H 1 4.148 0.007 A 47 THR HG2% H 1 1.095 0.012 A 47 THR C C 13 174.205 0.000 A 47 THR CA C 13 60.797 0.074 A 47 THR CB C 13 70.25 0.032 A 47 THR CG2 C 13 21.679 0.039 A 47 THR N N 15 112.072 0.013 A 48 TRP H H 1 8.480 0.004 A 48 TRP HA H 1 4.404 0.009 A 48 TRP HBy H 1 3.282 0.008 A 48 TRP HBx H 1 3.048 0.003 A 48 TRP HE1 H 1 10.088 0.000 A 48 TRP C C 13 175.934 0.000 A 48 TRP CA C 13 57.797 0.070 A 48 TRP CB C 13 29.345 0.068 A 48 TRP N N 15 123.257 0.019 A 48 TRP NE1 N 15 129.362 0.000 A 49 GLU H H 1 8.296 0.006 A 49 GLU HA H 1 4.273 0.006 A 49 GLU HBy H 1 1.971 0.002 A 49 GLU HBx H 1 1.871 0.021 A 49 GLU HG2 H 1 2.174 0.007 A 49 GLU HG3 H 1 2.174 0.007 A 49 GLU C C 13 175.847 0.000 A 49 GLU CA C 13 56.213 0.031 A 49 GLU CB C 13 30.752 0.105 A 49 GLU CG C 13 36.203 0.036 A 49 GLU N N 15 122.782 0.169 A 50 SER H H 1 8.344 0.013 A 50 SER HA H 1 4.613 0.000 A 50 SER CA C 13 56.220 0.000 A 50 SER CB C 13 63.397 0.000 A 50 SER N N 15 118.313 0.021 A 51 PRO HA H 1 4.400 0.006 A 51 PRO HB2 H 1 2.250 0.004 A 51 PRO HB3 H 1 2.250 0.004 A 51 PRO HD2 H 1 3.761 0.012 A 51 PRO HD3 H 1 3.761 0.012 A 51 PRO C C 13 177.481 0.000 A 51 PRO CA C 13 63.571 0.029 A 51 PRO CB C 13 32.162 0.071 A 51 PRO CD C 13 50.821 0.011 A 51 PRO CG C 13 27.438 0.000 A 52 GLY H H 1 8.345 0.002 A 52 GLY HA2 H 1 3.943 0.003 A 52 GLY HA3 H 1 3.943 0.003 A 52 GLY C C 13 173.969 0.000 A 52 GLY CA C 13 45.147 0.067 A 52 GLY N N 15 109.070 0.008 A 53 ASP H H 1 8.216 0.013 A 53 ASP HA H 1 4.589 0.007 A 53 ASP HBy H 1 2.684 0.000 A 53 ASP HBx H 1 2.639 0.013 A 53 ASP C C 13 176.133 0.000 A 53 ASP CA C 13 54.417 0.036 A 53 ASP CB C 13 41.256 0.076 A 53 ASP N N 15 120.558 0.012 A 54 ASP H H 1 8.338 0.002 A 54 ASP HA H 1 4.552 0.003 A 54 ASP HBx H 1 1.645 0.001 A 54 ASP C C 13 175.904 0.000 A 54 ASP CA C 13 54.311 0.003 A 54 ASP CB C 13 41.107 0.052 A 54 ASP N N 15 120.383 0.015 A 55 ALA H H 1 8.153 0.008 A 55 ALA HA H 1 4.383 0.008 A 55 ALA HB% H 1 1.384 0.003 A 55 ALA C C 13 176.939 0.000 A 55 ALA CA C 13 52.436 0.118 A 55 ALA CB C 13 19.413 0.022 A 55 ALA N N 15 124.730 0.025 A 56 SER H H 1 7.908 0.002 A 56 SER HA H 1 4.221 0.006 A 56 SER HBy H 1 4.143 0.001 A 56 SER HBx H 1 3.835 0.002 A 56 SER CA C 13 60.182 0.013 A 56 SER CB C 13 64.911 0.008 A 56 SER N N 15 121.157 0.020 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 14 THR HG2% A 15 ILE H 1.0 1.747 3.405 2 2 A 15 ILE HA A 15 ILE HB 1.0 1.545 2.641 3 3 A 15 ILE H A 15 ILE HA 1.0 1.778 3.556 4 4 A 15 ILE HB A 15 ILE HG2% 1.0 1.479 2.437 5 5 A 31 ILE HD1% A 25 ARG HDx 1.0 1.851 3.965 6 6 A 31 ILE HD1% A 31 ILE HB 1.0 1.665 3.061 7 7 A 15 ILE HD1% A 15 ILE HG13 1.0 1.468 2.406 8 8 A 15 ILE HB A 15 ILE HD1% 1.0 1.613 2.867 9 9 A 15 ILE HA A 15 ILE HD1% 1.0 1.637 2.957 10 10 A 15 ILE H A 15 ILE HD1% 1.0 1.882 4.174 11 11 A 15 ILE HB A 15 ILE HG13 1.0 1.506 2.520 12 12 A 25 ARG HDx A 25 ARG HGy 1.0 1.567 2.711 13 13 A 25 ARG HGy A 25 ARG HA 1.0 1.835 3.865 14 14 A 37 ILE HG1y A 37 ILE HG1x 1.0 1.418 2.268 15 15 A 15 ILE HG2% A 40 GLN HE2x 1.0 1.503 2.509 16 16 A 16 VAL HA A 16 VAL HB 1.0 1.677 3.109 17 17 A 16 VAL HA A 17 LEU H 1.0 1.412 2.248 18 18 A 16 VAL HB A 16 VAL H 1.0 1.591 2.793 19 19 A 41 THR HG2% A 41 THR HB 1.0 1.628 2.922 20 20 A 41 THR HG2% A 41 THR H 1.0 1.772 3.526 21 21 A 16 VAL HB A 16 VAL HGy% 1.0 1.586 2.772 22 22 A 16 VAL HA A 16 VAL HGy% 1.0 1.674 3.094 23 23 A 17 LEU H A 16 VAL HGx% 1.0 1.485 2.455 24 24 A 16 VAL H A 16 VAL HGy% 1.0 1.503 2.511 25 25 A 17 LEU HA A 17 LEU HDy% 1.0 1.753 3.439 26 26 A 17 LEU HBx A 17 LEU HBy 1.0 1.546 2.644 27 27 A 17 LEU HA A 17 LEU HBx 1.0 1.751 3.429 28 28 A 17 LEU HA A 17 LEU HBy 1.0 1.765 3.491 29 29 A 19 PRO HBx A 19 PRO HBy 1.0 1.488 2.466 30 30 A 19 PRO HBx A 19 PRO HDy 1.0 1.774 3.538 31 31 A 19 PRO HBx A 19 PRO HA 1.0 1.590 2.788 32 32 A 19 PRO HBy A 19 PRO HDx 1.0 1.803 3.685 33 33 A 19 PRO HBy A 19 PRO HA 1.0 1.654 3.018 34 34 A 19 PRO HBy A 20 ASN H 1.0 1.840 3.894 35 35 A 19 PRO HDy A 19 PRO HDx 1.0 1.533 2.601 36 36 A 19 PRO HA A 19 PRO HDx 1.0 1.865 4.051 37 37 A 19 PRO HDy A 19 PRO HA 1.0 1.790 3.620 38 38 A 19 PRO HBx A 19 PRO HDx 1.0 1.974 6.926 39 39 A 19 PRO HA A 19 PRO HGy 1.0 1.679 3.117 40 40 A 19 PRO HDx A 19 PRO HGx 1.0 1.780 3.568 41 41 A 19 PRO HDx A 19 PRO HGy 1.0 1.860 4.028 42 42 A 19 PRO HBy A 19 PRO HGx 1.0 1.478 2.436 43 43 A 20 ASN HA A 20 ASN HBx 1.0 1.684 3.136 44 44 A 20 ASN HA A 20 ASN HBy 1.0 1.714 3.260 45 45 A 20 ASN HBx A 20 ASN HBy 1.0 1.523 2.569 46 46 A 20 ASN H A 20 ASN HBx 1.0 1.839 3.891 47 47 A 21 TRP HA A 21 TRP HBy 1.0 1.756 3.450 48 48 A 21 TRP HA A 22 LYS H 1.0 1.676 3.102 49 49 A 21 TRP HA A 21 TRP H 1.0 1.746 3.400 50 50 A 21 TRP HA A 21 TRP HBx 1.0 1.840 3.896 51 51 A 21 TRP H A 21 TRP HBx 1.0 1.703 3.211 52 52 A 22 LYS H A 21 TRP HBx 1.0 1.856 3.996 53 53 A 21 TRP HBy A 22 LYS H 1.0 1.739 3.373 54 54 A 22 LYS HA A 22 LYS HDy 1.0 1.620 2.896 55 55 A 22 LYS H A 22 LYS HA 1.0 1.913 4.421 56 56 A 22 LYS HA A 23 THR H 1.0 1.692 3.166 57 57 A 22 LYS HA A 22 LYS HBx 1.0 1.765 3.491 58 58 A 23 THR H A 22 LYS HBy 1.0 1.696 3.188 59 59 A 22 LYS HBx A 22 LYS HBy 1.0 1.534 2.606 60 60 A 22 LYS HA A 22 LYS HDx 1.0 1.727 3.317 61 61 A 22 LYS HBx A 22 LYS HDx 1.0 1.790 3.620 62 62 A 22 LYS HDy A 22 LYS HBx 1.0 1.798 3.662 63 63 A 23 THR H A 22 LYS HDx 1.0 1.945 4.733 64 64 A 22 LYS HDy A 23 THR H 1.0 1.941 4.679 65 65 A 22 LYS HBx A 22 LYS HEy 1.0 1.900 4.310 66 66 A 22 LYS HA A 22 LYS HEx 1.0 1.919 4.469 67 67 A 22 LYS HA A 22 LYS HEy 1.0 1.960 4.914 68 68 A 22 LYS HBx A 22 LYS HGx 1.0 1.700 3.204 69 69 A 22 LYS HBx A 22 LYS HGy 1.0 1.673 3.091 70 70 A 22 LYS HDy A 22 LYS HGy 1.0 1.528 2.586 71 71 A 22 LYS HEx A 22 LYS HGx 1.0 1.815 8.617 72 72 A 22 LYS HA A 22 LYS HGx 1.0 1.318 11.352 73 73 A 22 LYS H A 22 LYS HGx 1.0 1.929 4.563 74 74 A 23 THR HA A 24 ALA H 1.0 1.836 3.870 75 75 A 23 THR HB A 23 THR HG2% 1.0 1.595 2.803 76 76 A 23 THR HA A 23 THR HB 1.0 1.683 3.131 77 77 A 23 THR H A 23 THR HB 1.0 1.882 4.174 78 78 A 23 THR H A 23 THR HG2% 1.0 1.717 3.271 79 79 A 23 THR HA A 23 THR HG2% 1.0 1.626 2.916 80 80 A 24 ALA H A 24 ALA HA 1.0 1.751 3.429 81 81 A 24 ALA HA A 25 ARG H 1.0 1.563 2.699 82 82 A 25 ARG H A 24 ALA HB1 1.0 1.597 2.813 83 83 A 13 ALA H A 12 ALA HA 1.0 1.710 3.242 84 84 A 25 ARG HA A 26 ASP H 1.0 1.666 3.066 85 85 A 25 ARG HA A 25 ARG H 1.0 1.805 3.701 86 86 A 25 ARG HDx A 25 ARG HBx 1.0 1.766 3.498 87 87 A 25 ARG HDx A 25 ARG HBy 1.0 1.666 3.066 88 88 A 25 ARG HBx A 31 ILE HA 1.0 1.759 3.465 89 89 A 25 ARG HBy A 31 ILE HA 1.0 1.768 3.508 90 90 A 25 ARG H A 25 ARG HBx 1.0 1.775 3.543 91 91 A 26 ASP H A 25 ARG HBx 1.0 1.804 3.692 92 92 A 26 ASP H A 25 ARG HBy 1.0 1.828 3.828 93 93 A 25 ARG HA A 25 ARG HBx 1.0 1.678 3.114 94 94 A 25 ARG HA A 25 ARG HBy 1.0 1.724 3.306 95 95 A 25 ARG HA A 25 ARG HGx 1.0 1.832 3.848 96 96 A 25 ARG H A 25 ARG HGx 1.0 1.884 4.186 97 97 A 25 ARG HGy A 31 ILE HA 1.0 1.750 3.424 98 98 A 26 ASP HBy A 27 PRO HDy 1.0 1.710 3.242 99 99 A 26 ASP HBy A 26 ASP HBx 1.0 1.639 2.963 100 100 A 26 ASP HBy A 26 ASP HA 1.0 1.711 3.245 101 101 A 26 ASP HBx A 26 ASP HA 1.0 1.704 3.218 102 102 A 26 ASP H A 26 ASP HBx 1.0 1.850 3.956 103 103 A 27 PRO HA A 27 PRO HBx 1.0 1.573 2.729 104 104 A 27 PRO HA A 28 GLU H 1.0 1.821 3.783 105 105 A 27 PRO HA A 27 PRO HBy 1.0 1.588 2.782 106 106 A 27 PRO HBx A 27 PRO HGy 1.0 1.577 2.743 107 107 A 27 PRO HDy A 27 PRO HGy 1.0 1.517 2.551 108 108 A 26 ASP HBy A 27 PRO HDx 1.0 1.811 3.729 109 109 A 27 PRO HBx A 27 PRO HDx 1.0 1.860 4.022 110 110 A 27 PRO HDy A 26 ASP HA 1.0 1.736 3.360 111 111 A 27 PRO HDy A 27 PRO HDx 1.0 1.602 2.832 112 112 A 27 PRO HGy A 27 PRO HDx 1.0 1.729 3.325 113 113 A 26 ASP HBx A 27 PRO HGy 1.0 1.883 4.185 114 114 A 28 GLU HB3 A 28 GLU HA 1.0 1.674 3.094 115 115 A 28 GLU HA A 28 GLU HG3 1.0 1.546 2.644 116 116 A 30 LYS H A 29 GLY HAy 1.0 1.823 3.793 117 117 A 48 TRP HA A 48 TRP HBx 1.0 1.596 2.808 118 118 A 48 TRP HA A 48 TRP HBy 1.0 1.615 2.877 119 119 A 17 LEU HBy A 48 TRP HA 1.0 1.662 3.046 120 120 A 31 ILE HB A 31 ILE HG1x 1.0 1.732 3.338 121 121 A 31 ILE HB A 31 ILE HA 1.0 1.749 3.415 122 122 A 31 ILE HB A 32 TYR H 1.0 1.943 4.701 123 123 A 31 ILE HA A 31 ILE HG1y 1.0 1.790 3.620 124 124 A 31 ILE HB A 31 ILE HG1y 1.0 1.778 3.556 125 125 A 31 ILE HG1x A 31 ILE HG1y 1.0 1.572 2.726 126 126 A 31 ILE HD1% A 31 ILE HG1y 1.0 1.627 2.917 127 127 A 31 ILE HB A 31 ILE HG2% 1.0 1.523 2.571 128 128 A 32 TYR HBy A 32 TYR HA 1.0 1.809 3.717 129 129 A 32 TYR HBy A 32 TYR HBx 1.0 1.785 3.593 130 130 A 33 TYR HA A 33 TYR HBy 1.0 1.755 3.445 131 131 A 33 TYR HA A 34 TYR H 1.0 1.664 3.058 132 132 A 33 TYR HA A 33 TYR H 1.0 1.812 3.738 133 133 A 33 TYR HBy A 33 TYR HBx 1.0 1.685 3.139 134 134 A 34 TYR HA A 34 TYR HB3 1.0 1.597 2.809 135 135 A 34 TYR HA A 35 HIS H 1.0 1.690 3.160 136 136 A 34 TYR HB3 A 7 PRO HG3 1.0 1.814 3.748 137 137 A 21 TRP HA A 35 HIS HA 1.0 1.726 3.314 138 138 A 35 HIS HA A 36 VAL HA 1.0 1.918 4.462 139 139 A 35 HIS HA A 35 HIS HBy 1.0 1.714 3.260 140 140 A 35 HIS HA A 35 HIS HBx 1.0 1.764 3.486 141 141 A 35 HIS HBx A 40 GLN HGy 1.0 1.907 4.369 142 142 A 35 HIS HBy A 35 HIS HBx 1.0 1.616 2.880 143 143 A 35 HIS H A 35 HIS HBx 1.0 1.764 3.486 144 144 A 35 HIS HBy A 40 GLN H 1.0 1.715 3.263 145 145 A 36 VAL HA A 37 ILE H 1.0 1.895 4.267 146 146 A 36 VAL HA A 39 ARG HA 1.0 1.977 5.159 147 147 A 36 VAL HA A 36 VAL HB 1.0 1.633 2.943 148 148 A 36 VAL HGx% A 4 LEU HBy 1.0 1.608 2.852 149 149 A 36 VAL HGx% A 36 VAL H 1.0 1.715 3.267 150 150 A 37 ILE HG1y A 37 ILE HA 1.0 1.525 2.577 151 151 A 37 ILE H A 37 ILE HA 1.0 1.708 3.238 152 152 A 37 ILE H A 37 ILE HB 1.0 1.637 2.953 153 153 A 37 ILE HG1x A 37 ILE HB 1.0 1.761 3.475 154 154 A 37 ILE HG1y A 37 ILE HB 1.0 1.760 3.470 155 155 A 37 ILE HG1y A 37 ILE HD1% 1.0 1.480 2.442 156 156 A 37 ILE HB A 37 ILE HD1% 1.0 1.628 2.920 157 157 A 20 ASN HBx A 37 ILE HD1% 1.0 1.712 3.252 158 158 A 37 ILE H A 37 ILE HD1% 1.0 1.746 3.400 159 159 A 37 ILE HB A 38 THR HA 1.0 1.905 4.353 160 160 A 38 THR HA A 38 THR HB 1.0 1.568 2.712 161 161 A 38 THR HB A 38 THR H 1.0 1.872 4.100 162 162 A 38 THR HA A 38 THR HG2% 1.0 1.557 2.677 163 163 A 38 THR H A 38 THR HG2% 1.0 1.497 2.491 164 164 A 39 ARG HA A 39 ARG HBy 1.0 1.700 3.204 165 165 A 40 GLN H A 39 ARG HA 1.0 1.806 3.700 166 166 A 39 ARG HBx A 39 ARG HD3 1.0 1.726 3.314 167 167 A 39 ARG HBy A 39 ARG HBx 1.0 1.464 2.394 168 168 A 39 ARG HBx A 39 ARG HGx 1.0 1.707 3.231 169 169 A 39 ARG HBy A 39 ARG HGx 1.0 1.675 3.099 170 170 A 39 ARG HA A 39 ARG HD3 1.0 1.685 3.139 171 171 A 39 ARG HD3 A 39 ARG H 1.0 1.766 3.498 172 172 A 40 GLN HGy A 40 GLN HA 1.0 1.668 3.076 173 173 A 40 GLN HA A 40 GLN HBy 1.0 1.543 2.631 174 174 A 49 GLU HA A 49 GLU HBx 1.0 1.607 2.845 175 175 A 49 GLU HA A 49 GLU HBy 1.0 1.663 3.051 176 176 A 48 TRP HBy A 49 GLU HA 1.0 1.906 4.364 177 177 A 49 GLU HA A 50 SER H 1.0 1.620 2.892 178 178 A 41 THR H A 40 GLN HA 1.0 1.503 2.507 179 179 A 41 THR H A 40 GLN HBx 1.0 1.755 3.445 180 180 A 40 GLN HA A 40 GLN HBx 1.0 1.608 2.852 181 181 A 40 GLN HBx A 40 GLN HGx 1.0 1.567 2.709 182 182 A 40 GLN HBy A 40 GLN HGx 1.0 1.457 2.373 183 183 A 40 GLN HGy A 40 GLN HGx 1.0 1.439 2.323 184 184 A 40 GLN HA A 40 GLN HGx 1.0 1.715 3.267 185 185 A 40 GLN HGy A 40 GLN HE2y 1.0 1.831 3.841 186 186 A 40 GLN H A 40 GLN HGx 1.0 1.804 3.692 187 187 A 40 GLN HGy A 40 GLN H 1.0 1.748 3.410 188 188 A 40 GLN HE2x A 40 GLN HGy 1.0 1.838 3.884 189 189 A 41 THR HB A 41 THR HA 1.0 1.726 3.314 190 190 A 41 THR HG2% A 41 THR HA 1.0 1.700 3.204 191 191 A 41 THR HA A 42 GLN H 1.0 1.679 3.119 192 192 A 41 THR HB A 42 GLN H 1.0 1.822 3.790 193 193 A 42 GLN HBx A 42 GLN HGy 1.0 1.563 2.699 194 194 A 42 GLN HBx A 42 GLN HA 1.0 1.859 4.013 195 195 A 42 GLN HBx A 42 GLN HE2y 1.0 1.866 4.062 196 196 A 43 TRP HA A 43 TRP H 1.0 1.906 4.354 197 197 A 43 TRP HA A 43 TRP HBx 1.0 1.758 3.460 198 198 A 43 TRP HA A 43 TRP HBy 1.0 1.804 3.692 199 199 A 43 TRP H A 43 TRP HBx 1.0 1.830 3.838 200 200 A 44 ASP HA A 44 ASP H 1.0 1.847 3.941 201 201 A 44 ASP H A 44 ASP HBy 1.0 1.730 3.334 202 202 A 44 ASP HA A 44 ASP HBy 1.0 1.720 3.286 203 203 A 44 ASP HA A 44 ASP HBx 1.0 1.668 3.076 204 204 A 44 ASP HBy A 44 ASP HBx 1.0 1.453 2.361 205 205 A 46 PRO HA A 46 PRO HGy 1.0 1.798 3.662 206 206 A 46 PRO HA A 46 PRO HBy 1.0 1.688 3.154 207 207 A 46 PRO HA A 46 PRO HGx 1.0 1.837 3.879 208 208 A 46 PRO HA A 46 PRO HBx 1.0 1.668 3.076 209 209 A 46 PRO HGy A 46 PRO HBx 1.0 1.724 3.306 210 210 A 46 PRO HGy A 46 PRO HBy 1.0 1.686 3.148 211 211 A 46 PRO HBy A 46 PRO HBx 1.0 1.587 2.777 212 212 A 46 PRO HGy A 46 PRO HDy 1.0 1.647 2.993 213 213 A 46 PRO HGy A 46 PRO HDx 1.0 1.667 3.069 214 214 A 46 PRO HBy A 46 PRO HDy 1.0 1.868 4.080 215 215 A 46 PRO HBy A 46 PRO HDx 1.0 1.843 3.917 216 216 A 46 PRO HGx A 46 PRO HDx 1.0 1.761 3.475 217 217 A 46 PRO HBx A 46 PRO HDy 1.0 1.913 4.417 218 218 A 46 PRO HBx A 46 PRO HDx 1.0 1.887 4.213 219 219 A 46 PRO HDy A 46 PRO HDx 1.0 1.600 2.822 220 220 A 46 PRO HGy A 46 PRO HGx 1.0 1.575 2.737 221 221 A 46 PRO HBy A 46 PRO HGx 1.0 1.703 3.215 222 222 A 46 PRO HGx A 46 PRO HBx 1.0 1.744 3.396 223 223 A 46 PRO HGx A 46 PRO HDy 1.0 1.785 3.593 224 224 A 47 THR HA A 48 TRP H 1.0 1.579 2.749 225 225 A 48 TRP H A 47 THR HB 1.0 1.686 3.142 226 226 A 47 THR HB A 47 THR HG2% 1.0 1.511 2.535 227 227 A 48 TRP HBx A 48 TRP HBy 1.0 1.423 2.281 228 228 A 48 TRP HBy A 49 GLU H 1.0 1.855 3.989 229 229 A 49 GLU HBx A 49 GLU H 1.0 1.811 3.735 230 230 A 49 GLU HBx A 49 GLU HG3 1.0 1.453 2.363 231 231 A 50 SER H A 49 GLU HG3 1.0 1.836 3.872 232 232 A 51 PRO HD3 A 51 PRO HB2 1.0 1.713 3.257 233 233 A 51 PRO HD3 A 50 SER HA 1.0 1.521 2.565 234 234 A 51 PRO HD3 A 51 PRO HA 1.0 1.753 3.439 235 235 A 52 GLY HA2 A 53 ASP H 1.0 1.868 4.082 236 236 A 53 ASP H A 53 ASP HA 1.0 1.828 3.828 237 237 A 53 ASP H A 55 ALA HA 1.0 1.937 7.481 238 238 A 56 SER HA A 56 SER HG 1.0 1.901 4.313 239 239 A 2 SER HA A 2 SER HBy 1.0 1.719 3.283 240 240 A 4 LEU HA A 4 LEU HBx 1.0 1.785 3.593 241 241 A 4 LEU HBy A 4 LEU HA 1.0 1.777 3.549 242 242 A 4 LEU HA A 4 LEU HG 1.0 1.655 3.023 243 243 A 4 LEU HA A 4 LEU H 1.0 1.963 4.951 244 244 A 7 PRO HA A 8 SER HA 1.0 1.920 4.480 245 245 A 7 PRO HA A 8 SER H 1.0 1.658 3.034 246 246 A 7 PRO HA A 7 PRO HBx 1.0 1.599 2.817 247 247 A 7 PRO HA A 7 PRO HBy 1.0 1.597 2.809 248 248 A 7 PRO HG3 A 7 PRO HBy 1.0 1.514 2.540 249 249 A 7 PRO HBx A 7 PRO HBy 1.0 1.412 2.252 250 250 A 8 SER H A 7 PRO HBx 1.0 1.743 3.391 251 251 A 8 SER HA A 8 SER HBx 1.0 1.689 3.157 252 252 A 8 SER HA A 8 SER HBy 1.0 1.708 3.234 253 253 A 8 SER HBx A 8 SER HBy 1.0 1.488 2.464 254 254 A 8 SER H A 8 SER HBy 1.0 1.765 3.491 255 255 A 8 SER H A 8 SER HBx 1.0 1.658 3.032 256 256 A 11 ALA HA A 11 ALA HB% 1.0 1.474 2.422 257 257 A 11 ALA HA A 12 ALA H 1.0 1.826 3.812 258 258 A 11 ALA HB% A 12 ALA H 1.0 1.902 4.330 259 259 A 12 ALA HA A 13 ALA HA 1.0 1.962 4.938 260 260 A 28 GLU H A 28 GLU HA 1.0 1.720 3.286 261 261 A 28 GLU HA A 29 GLY H 1.0 1.789 3.613 262 262 A 28 GLU HB3 A 29 GLY H 1.0 1.918 4.460 263 263 A 28 GLU H A 28 GLU HG3 1.0 1.677 3.105 264 264 A 29 GLY HAy A 29 GLY H 1.0 1.690 3.160 265 265 A 36 VAL HA A 36 VAL H 1.0 1.782 3.574 266 266 A 51 PRO HA A 52 GLY H 1.0 1.757 3.455 267 267 A 51 PRO HB2 A 51 PRO HA 1.0 1.687 3.151 268 268 A 38 THR HA A 39 ARG H 1.0 1.790 3.620 269 269 A 47 THR HA A 47 THR H 1.0 1.760 3.470 270 270 A 33 TYR HA A 33 TYR HBx 1.0 1.752 3.434 271 271 A 24 ALA H A 23 THR HB 1.0 1.729 3.325 272 272 A 22 LYS HEy A 22 LYS HGx 1.0 1.670 3.082 273 273 A 49 GLU HA A 49 GLU HG3 1.0 1.395 2.205 274 274 A 17 LEU HBx A 48 TRP HBx 1.0 1.838 3.888 275 275 A 17 LEU HBy A 48 TRP HBx 1.0 1.791 3.627 276 276 A 16 VAL HA A 17 LEU HBx 1.0 1.852 3.976 277 277 A 19 PRO HDy A 19 PRO HGx 1.0 1.642 2.976 278 278 A 24 ALA H A 23 THR HG2% 1.0 1.882 4.172 279 279 A 31 ILE HD1% A 31 ILE HA 1.0 1.635 2.947 280 280 A 31 ILE HD1% A 25 ARG HA 1.0 1.904 4.338 281 281 A 35 HIS HA A 36 VAL HGy% 1.0 1.678 3.114 282 282 A 36 VAL HA A 4 LEU HBy 1.0 1.839 3.893 283 283 A 41 THR HB A 7 PRO HBx 1.0 1.909 4.391 284 284 A 41 THR HG2% A 7 PRO HBx 1.0 1.719 3.283 285 285 A 41 THR HG2% A 7 PRO HBy 1.0 1.609 2.853 286 286 A 41 THR HG2% A 7 PRO HG3 1.0 1.519 2.557 287 287 A 37 ILE HA A 37 ILE HD1% 1.0 1.611 2.861 288 288 A 40 GLN H A 38 THR HB 1.0 1.876 4.130 289 289 A 27 PRO HA A 29 GLY H 1.0 1.861 4.025 290 290 A 27 PRO HA A 27 PRO HDx 1.0 1.768 3.508 291 291 A 19 PRO HA A 21 TRP H 1.0 1.806 3.700 292 292 A 32 TYR HA A 43 TRP HA 1.0 1.706 3.224 293 293 A 32 TYR HBy A 43 TRP HA 1.0 1.966 4.994 294 294 A 23 THR HA A 33 TYR HA 1.0 1.732 3.342 295 295 A 37 ILE HA A 37 ILE HB 1.0 1.758 3.460 296 296 A 40 GLN H A 40 GLN HA 1.0 1.730 3.334 297 297 A 41 THR HB A 34 TYR HA 1.0 1.775 3.543 298 298 A 22 LYS H A 35 HIS HA 1.0 1.810 3.728 299 299 A 22 LYS HA A 22 LYS HBy 1.0 1.677 3.111 300 300 A 25 ARG HA A 32 TYR H 1.0 1.775 3.543 301 301 A 25 ARG HA A 31 ILE HA 1.0 1.770 3.514 302 302 A 12 ALA HA A 12 ALA HB% 1.0 1.476 2.430 303 303 A 27 PRO HDy A 27 PRO HBx 1.0 1.805 3.701 304 304 A 26 ASP HA A 27 PRO HDx 1.0 1.742 3.386 305 305 A 39 ARG HBy A 39 ARG HD3 1.0 1.504 2.512 306 306 A 17 LEU HBx A 17 LEU HDx% 1.0 1.628 2.924 307 307 A 17 LEU HBy A 17 LEU HDx% 1.0 1.625 2.911 308 308 A 17 LEU HDy% A 17 LEU HBx 1.0 1.707 3.231 309 309 A 22 LYS HDy A 22 LYS HEy 1.0 1.396 2.208 310 310 A 22 LYS HEy A 2 SER HBx 1.0 1.915 4.437 311 311 A 32 TYR HBy A 33 TYR H 1.0 1.783 3.581 312 312 A 15 ILE HB A 16 VAL H 1.0 1.834 3.864 313 313 A 40 GLN H A 40 GLN HBx 1.0 1.465 2.399 314 314 A 41 THR HB A 41 THR H 1.0 1.937 4.643 315 315 A 20 ASN HBy A 20 ASN HD2y 1.0 1.705 3.221 316 316 A 20 ASN HBy A 20 ASN HD2x 1.0 1.783 3.581 317 317 A 20 ASN HBx A 20 ASN HD2y 1.0 1.744 3.396 318 318 A 38 THR HB A 40 GLN HGx 1.0 1.887 4.207 319 319 A 40 GLN HGy A 38 THR HB 1.0 1.856 4.000 320 320 A 27 PRO HDy A 27 PRO HA 1.0 1.831 3.843 321 321 A 22 LYS HEx A 2 SER HA 1.0 1.996 5.644 322 322 A 37 ILE HG1y A 37 ILE H 1.0 1.746 3.400 323 323 A 31 ILE HD1% A 31 ILE HG1x 1.0 1.448 2.350 324 324 A 41 THR HB A 7 PRO HBy 1.0 1.861 4.031 325 325 A 26 ASP HA A 27 PRO HA 1.0 1.872 4.102 326 326 A 7 PRO HG3 A 7 PRO HA 1.0 1.918 4.464 327 327 A 41 THR HG2% A 7 PRO HA 1.0 1.980 5.208 328 328 A 46 PRO HA A 47 THR H 1.0 1.581 2.757 329 329 A 46 PRO HA A 46 PRO HDy 1.0 1.856 3.998 330 330 A 46 PRO HA A 46 PRO HDx 1.0 1.885 4.191 331 331 A 34 TYR HA A 41 THR HA 1.0 1.533 2.599 332 332 A 7 PRO HG3 A 41 THR HA 1.0 1.927 4.547 333 333 A 39 ARG HA A 39 ARG HBx 1.0 1.556 2.676 334 334 A 39 ARG HA A 39 ARG HGy 1.0 1.581 2.757 335 335 A 24 ALA H A 33 TYR HA 1.0 1.882 4.176 336 336 A 28 GLU HA A 30 LYS H 1.0 1.936 4.626 337 337 A 34 TYR HA A 42 GLN H 1.0 1.892 4.248 338 338 A 34 TYR HA A 35 HIS HA 1.0 1.879 4.151 339 339 A 12 ALA HA A 12 ALA H 1.0 1.947 4.753 340 340 A 25 ARG HA A 24 ALA HA 1.0 1.911 4.399 341 341 A 51 PRO HA A 52 GLY HA2 1.0 1.880 4.164 342 342 A 54 ASP HBx A 55 ALA H 1.0 1.686 3.148 343 343 A 20 ASN HBy A 36 VAL HGy% 1.0 1.720 3.290 344 344 A 20 ASN HBx A 36 VAL HGy% 1.0 1.669 3.079 345 345 A 41 THR H A 40 GLN HGx 1.0 1.902 4.330 346 346 A 40 GLN HE2x A 40 GLN HGx 1.0 1.697 3.191 347 347 A 35 HIS HBy A 39 ARG H 1.0 1.902 4.330 348 348 A 35 HIS HBy A 38 THR H 1.0 1.800 3.670 349 349 A 35 HIS HBx A 38 THR H 1.0 1.930 4.576 350 350 A 43 TRP HBx A 43 TRP HBy 1.0 1.602 2.832 351 351 A 48 TRP HBx A 49 GLU H 1.0 1.826 3.816 352 352 A 25 ARG HA A 24 ALA HB1 1.0 1.940 4.676 353 353 A 24 ALA HB1 A 32 TYR H 1.0 1.962 4.942 354 354 A 36 VAL HA A 36 VAL HGx% 1.0 1.726 3.314 355 355 A 21 TRP HA A 36 VAL HGx% 1.0 1.937 4.643 356 356 A 16 VAL HA A 16 VAL HGx% 1.0 1.473 2.421 357 357 A 15 ILE HG2% A 15 ILE HG13 1.0 1.458 2.378 358 358 A 15 ILE H A 15 ILE HG2% 1.0 1.894 4.264 359 359 A 15 ILE HG2% A 16 VAL H 1.0 1.707 3.231 360 360 A 31 ILE HG1y A 31 ILE HG2% 1.0 1.417 2.263 361 361 A 42 GLN HE2y A 42 GLN HGx 1.0 1.825 3.807 362 362 A 42 GLN HGx A 42 GLN HE2x 1.0 1.829 3.837 363 363 A 42 GLN HGy A 42 GLN HE2x 1.0 1.869 4.081 364 364 A 40 GLN HGx A 40 GLN HE2y 1.0 1.754 3.442 365 365 A 40 GLN HBy A 40 GLN HE2y 1.0 1.869 4.087 366 366 A 40 GLN HE2x A 40 GLN HE2y 1.0 1.430 2.298 367 367 A 40 GLN HE2x A 40 GLN HBy 1.0 1.922 4.502 368 368 A 20 ASN HD2y A 20 ASN HD2x 1.0 1.552 2.662 369 369 A 20 ASN HA A 20 ASN HD2y 1.0 1.939 4.661 370 370 A 20 ASN HA A 20 ASN HD2x 1.0 1.973 5.105 371 371 A 20 ASN HBx A 20 ASN HD2x 1.0 1.801 3.673 372 372 A 15 ILE HG13 A 16 VAL H 1.0 1.836 3.874 373 373 A 17 LEU H A 17 LEU HBx 1.0 1.598 2.814 374 374 A 17 LEU H A 17 LEU HBy 1.0 1.758 3.462 375 375 A 15 ILE H A 15 ILE HB 1.0 1.672 3.086 376 376 A 15 ILE H A 16 VAL H 1.0 1.898 4.292 377 377 A 31 ILE HB A 31 ILE H 1.0 1.699 3.199 378 378 A 31 ILE HA A 31 ILE H 1.0 1.812 3.736 379 379 A 30 LYS H A 31 ILE H 1.0 1.979 5.211 380 380 A 32 TYR H A 31 ILE H 1.0 1.963 4.951 381 381 A 55 ALA H A 55 ALA HB% 1.0 1.987 5.365 382 382 A 24 ALA H A 24 ALA HB1 1.0 1.684 3.138 383 383 A 35 HIS H A 35 HIS HA 1.0 1.829 3.831 384 384 A 35 HIS H A 35 HIS HBy 1.0 1.764 3.488 385 385 A 34 TYR HB3 A 35 HIS H 1.0 1.781 3.571 386 386 A 23 THR H A 24 ALA H 1.0 1.939 4.667 387 387 A 4 LEU H A 3 ASP HBy 1.0 1.839 3.889 388 388 A 4 LEU HBy A 4 LEU H 1.0 1.631 2.933 389 389 A 4 LEU HG A 4 LEU H 1.0 1.784 3.588 390 390 A 48 TRP HBx A 48 TRP H 1.0 1.710 3.240 391 391 A 48 TRP HBy A 48 TRP H 1.0 1.675 3.097 392 392 A 48 TRP H A 47 THR HG2% 1.0 1.767 3.505 393 393 A 21 TRP HA A 36 VAL H 1.0 1.780 3.566 394 394 A 35 HIS HA A 36 VAL H 1.0 1.604 2.838 395 395 A 36 VAL HB A 36 VAL H 1.0 1.753 3.435 396 396 A 49 GLU HBy A 49 GLU H 1.0 1.651 3.009 397 397 A 47 THR HG2% A 49 GLU H 1.0 1.884 4.190 398 398 A 49 GLU H A 49 GLU HG3 1.0 1.810 3.724 399 399 A 31 ILE HA A 32 TYR H 1.0 1.805 3.701 400 400 A 31 ILE HG1x A 32 TYR H 1.0 1.822 3.790 401 401 A 32 TYR H A 31 ILE HG1y 1.0 1.827 3.823 402 402 A 22 LYS H A 22 LYS HBy 1.0 1.779 3.561 403 403 A 22 LYS H A 22 LYS HBx 1.0 1.803 3.687 404 404 A 37 ILE H A 39 ARG H 1.0 1.912 4.410 405 405 A 42 GLN HA A 43 TRP H 1.0 1.821 3.783 406 406 A 43 TRP H A 43 TRP HBy 1.0 1.805 3.699 407 407 A 42 GLN HBx A 43 TRP H 1.0 1.773 3.531 408 408 A 35 HIS H A 40 GLN H 1.0 1.541 2.629 409 409 A 34 TYR H A 33 TYR HBx 1.0 1.850 3.956 410 410 A 33 TYR HBy A 34 TYR H 1.0 1.750 3.418 411 411 A 34 TYR H A 35 HIS H 1.0 1.966 4.996 412 412 A 34 TYR H A 34 TYR HA 1.0 1.882 4.180 413 413 A 20 ASN HA A 21 TRP H 1.0 1.765 3.491 414 414 A 20 ASN HBx A 21 TRP H 1.0 1.888 4.222 415 415 A 22 LYS H A 21 TRP H 1.0 1.902 4.328 416 416 A 20 ASN H A 21 TRP H 1.0 1.776 3.548 417 417 A 8 SER HA A 8 SER H 1.0 1.925 4.523 418 418 A 8 SER H A 7 PRO HBy 1.0 1.821 3.787 419 419 A 33 TYR H A 33 TYR HBx 1.0 1.779 3.565 420 420 A 33 TYR HBy A 33 TYR H 1.0 1.783 3.583 421 421 A 34 TYR H A 33 TYR H 1.0 1.981 5.237 422 422 A 43 TRP HBx A 44 ASP H 1.0 1.624 2.906 423 423 A 43 TRP HBy A 44 ASP H 1.0 1.843 3.919 424 424 A 43 TRP H A 44 ASP H 1.0 1.796 3.648 425 425 A 28 GLU H A 28 GLU HB3 1.0 1.515 2.545 426 426 A 28 GLU H A 27 PRO HGy 1.0 1.589 2.787 427 427 A 25 ARG H A 25 ARG HBy 1.0 1.585 2.769 428 428 A 28 GLU H A 30 LYS H 1.0 1.939 4.661 429 429 A 42 GLN H A 42 GLN HA 1.0 1.982 5.246 430 430 A 42 GLN H A 42 GLN HGx 1.0 1.914 4.424 431 431 A 42 GLN H A 42 GLN HGy 1.0 1.831 3.843 432 432 A 39 ARG HA A 39 ARG H 1.0 1.646 2.990 433 433 A 38 THR H A 39 ARG H 1.0 1.719 3.281 434 434 A 40 GLN H A 39 ARG H 1.0 1.748 3.410 435 435 A 47 THR HG2% A 47 THR H 1.0 1.738 3.364 436 436 A 46 PRO HBy A 47 THR H 1.0 1.775 3.543 437 437 A 46 PRO HGx A 47 THR H 1.0 1.970 5.054 438 438 A 48 TRP H A 47 THR H 1.0 1.890 4.232 439 439 A 37 ILE HA A 38 THR H 1.0 1.869 4.087 440 440 A 38 THR HA A 38 THR H 1.0 1.754 3.442 441 441 A 37 ILE HB A 38 THR H 1.0 1.697 3.191 442 442 A 37 ILE HG1y A 38 THR H 1.0 1.925 4.533 443 443 A 47 THR HB A 47 THR H 1.0 1.691 3.163 444 444 A 46 PRO HBx A 47 THR H 1.0 1.854 3.986 445 445 A 20 ASN H A 20 ASN HA 1.0 1.630 2.930 446 446 A 19 PRO HDy A 20 ASN H 1.0 1.982 5.258 447 447 A 20 ASN H A 20 ASN HBy 1.0 1.816 3.758 448 448 A 19 PRO HBx A 20 ASN H 1.0 1.808 3.714 449 449 A 41 THR H A 40 GLN HBy 1.0 1.675 3.097 450 450 A 41 THR H A 41 THR HA 1.0 1.814 3.750 451 451 A 41 THR H A 42 GLN H 1.0 1.968 5.024 452 452 A 51 PRO HD3 A 52 GLY H 1.0 1.999 5.871 453 453 A 52 GLY HA2 A 52 GLY H 1.0 1.723 3.303 454 454 A 23 THR H A 22 LYS HBx 1.0 1.774 3.536 455 455 A 30 LYS H A 29 GLY H 1.0 1.731 3.333 456 456 A 28 GLU H A 29 GLY H 1.0 1.659 3.039 457 457 A 51 PRO HB2 A 52 GLY H 1.0 2.000 5.968 458 458 A 19 PRO HDx A 20 ASN H 1.0 1.980 5.210 459 459 A 20 ASN H A 20 ASN HD2y 1.0 1.972 5.084 460 460 A 26 ASP H A 29 GLY H 1.0 1.949 4.767 461 461 A 25 ARG H A 26 ASP H 1.0 1.925 4.527 462 462 A 35 HIS H A 36 VAL H 1.0 1.997 5.671 463 463 A 32 TYR H A 32 TYR HBx 1.0 1.898 4.288 464 464 A 37 ILE HG1y A 20 ASN HD2x 1.0 1.994 6.468 465 465 A 42 GLN HGy A 42 GLN HE2y 1.0 1.846 3.930 466 466 A 26 ASP H A 27 PRO HDy 1.0 1.956 4.866 467 467 A 22 LYS H A 34 TYR H 1.0 1.700 3.202 468 468 A 22 LYS H A 22 LYS HGy 1.0 1.687 3.151 469 469 A 22 LYS HBy A 34 TYR H 1.0 1.949 4.775 470 470 A 33 TYR H A 42 GLN H 1.0 1.917 4.447 471 471 A 44 ASP H A 44 ASP HBx 1.0 1.670 3.080 472 472 A 35 HIS H A 41 THR HA 1.0 1.716 3.270 473 473 A 26 ASP H A 30 LYS H 1.0 1.898 4.300 474 474 A 26 ASP H A 31 ILE HA 1.0 2.000 6.044 475 475 A 22 LYS H A 23 THR H 1.0 1.931 4.583 476 476 A 24 ALA H A 32 TYR H 1.0 1.783 3.585 477 477 A 37 ILE H A 36 VAL H 1.0 1.793 3.637 478 478 A 40 GLN H A 38 THR H 1.0 1.922 4.502 479 479 A 27 PRO HDy A 28 GLU H 1.0 1.853 3.979 480 480 A 37 ILE HD1% A 20 ASN HD2y 1.0 1.827 3.817 481 481 A 37 ILE HD1% A 20 ASN HD2x 1.0 1.813 3.741 482 482 A 20 ASN H A 20 ASN HD2x 1.0 1.939 4.661 483 483 A 33 TYR HBy A 42 GLN H 1.0 1.734 3.350 484 484 A 42 GLN HE2y A 42 GLN HE2x 1.0 1.584 2.766 485 485 A 36 VAL H A 38 THR H 1.0 1.965 4.977 486 486 A 12 ALA H A 12 ALA HB% 1.0 1.845 3.925 stop_ save_