data_nef_c19483_2mdc 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 19487 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 9 GLY start . false 2 A 10 SER middle . . 3 A 11 LYS middle . . 4 A 12 PRO middle . false 5 A 13 LYS middle . . 6 A 14 THR middle . . 7 A 15 ILE middle . . 8 A 16 VAL middle . . 9 A 17 LEU middle . . 10 A 18 PRO middle . false 11 A 19 PRO middle . false 12 A 20 ASN middle . . 13 A 21 TRP middle . . 14 A 22 LYS middle . . 15 A 23 THR middle . . 16 A 24 ALA middle . . 17 A 25 ARG middle . . 18 A 26 ASP middle . . 19 A 27 PRO middle . false 20 A 28 GLU middle . . 21 A 29 GLY middle . false 22 A 30 LYS middle . . 23 A 31 ILE middle . . 24 A 32 TYR middle . . 25 A 33 TYR middle . . 26 A 34 TYR middle . . 27 A 35 HIS middle . . 28 A 36 VAL middle . . 29 A 37 ILE middle . . 30 A 38 THR middle . . 31 A 39 ARG middle . . 32 A 40 GLN middle . . 33 A 41 THR middle . . 34 A 42 GLN middle . . 35 A 43 TRP middle . . 36 A 44 ASP middle . . 37 A 45 PRO middle . false 38 A 46 PRO middle . false 39 A 47 THR middle . . 40 A 48 TRP middle . . 41 A 49 GLU middle . . 42 A 50 SER middle . . 43 A 51 PRO middle . false 44 A 52 GLY middle . false 45 A 53 ASP middle . . 46 A 54 ASP middle . . 47 A 55 ALA middle . . 48 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 10 SER HA H 1 4.419 0.008 A 10 SER HB2 H 1 3.759 0.003 A 10 SER HB3 H 1 3.759 0.003 A 10 SER C C 13 174.109 0.000 A 10 SER CA C 13 58.247 0.066 A 10 SER CB C 13 64.107 0.070 A 11 LYS H H 1 8.431 0.007 A 11 LYS HA H 1 4.534 0.005 A 11 LYS CA C 13 54.391 0.054 A 11 LYS CB C 13 32.462 0.000 A 11 LYS N N 15 124.545 0.021 A 12 PRO HA H 1 4.327 0.012 A 12 PRO HB2 H 1 2.193 0.021 A 12 PRO HB3 H 1 2.193 0.021 A 12 PRO HDy H 1 3.755 0.010 A 12 PRO HDx H 1 3.521 0.023 A 12 PRO HGy H 1 1.909 0.017 A 12 PRO HGx H 1 1.811 0.021 A 12 PRO C C 13 176.676 0.000 A 12 PRO CA C 13 63.016 0.087 A 12 PRO CB C 13 32.187 0.075 A 12 PRO CD C 13 50.74 0.131 A 12 PRO CG C 13 27.444 0.041 A 13 LYS H H 1 8.465 0.004 A 13 LYS HA H 1 4.220 0.017 A 13 LYS HB2 H 1 1.718 0.020 A 13 LYS HB3 H 1 1.718 0.020 A 13 LYS HD2 H 1 1.592 0.007 A 13 LYS HD3 H 1 1.592 0.007 A 13 LYS HG2 H 1 1.377 0.010 A 13 LYS HG3 H 1 1.377 0.010 A 13 LYS C C 13 176.673 0.000 A 13 LYS CA C 13 56.446 0.061 A 13 LYS CB C 13 33.028 0.119 A 13 LYS CD C 13 29.257 0.013 A 13 LYS CG C 13 25.103 0.052 A 13 LYS N N 15 122.272 0.028 A 14 THR H H 1 8.140 0.004 A 14 THR HA H 1 4.219 0.004 A 14 THR HG1 H 1 3.997 0.015 A 14 THR HG2% H 1 1.068 0.008 A 14 THR C C 13 173.874 0.000 A 14 THR CA C 13 61.968 0.069 A 14 THR CB C 13 69.851 0.044 A 14 THR CG2 C 13 21.814 0.000 A 14 THR N N 15 117.331 0.027 A 15 ILE H H 1 8.289 0.005 A 15 ILE HA H 1 4.066 0.014 A 15 ILE HB H 1 1.746 0.005 A 15 ILE HG1y H 1 1.387 0.006 A 15 ILE HG1x H 1 1.065 0.005 A 15 ILE HG2% H 1 0.747 0.006 A 15 ILE C C 13 175.420 0.000 A 15 ILE CA C 13 61.026 0.073 A 15 ILE CB C 13 38.906 0.077 A 15 ILE CG1 C 13 27.398 0.047 A 15 ILE CG2 C 13 17.54 0.000 A 15 ILE N N 15 124.956 0.019 A 16 VAL H H 1 8.197 0.014 A 16 VAL HA H 1 4.025 0.005 A 16 VAL HB H 1 1.884 0.009 A 16 VAL HG1% H 1 0.833 0.019 A 16 VAL HG2% H 1 0.833 0.019 A 16 VAL C C 13 175.400 0.000 A 16 VAL CA C 13 62.047 0.078 A 16 VAL CB C 13 32.702 0.084 A 16 VAL CG1 C 13 21.266 0.023 A 16 VAL CG2 C 13 21.266 0.023 A 16 VAL N N 15 127.336 0.029 A 17 LEU H H 1 8.435 0.005 A 17 LEU HA H 1 4.462 0.012 A 17 LEU HBy H 1 1.613 0.005 A 17 LEU HBx H 1 1.231 0.010 A 17 LEU HDx% H 1 0.866 0.016 A 17 LEU HDy% H 1 0.627 0.003 A 17 LEU HG H 1 1.234 0.006 A 17 LEU CA C 13 52.332 0.062 A 17 LEU CB C 13 41.955 0.062 A 17 LEU CD1 C 13 23.6 0.030 A 17 LEU CD2 C 13 23.6 0.030 A 17 LEU N N 15 127.613 0.022 A 19 PRO HA H 1 4.312 0.006 A 19 PRO HB2 H 1 2.172 0.004 A 19 PRO HB3 H 1 2.172 0.004 A 19 PRO C C 13 176.775 0.000 A 19 PRO CA C 13 63.892 0.104 A 19 PRO CB C 13 32.084 0.169 A 20 ASN H H 1 8.502 0.003 A 20 ASN HBx H 1 2.689 0.010 A 20 ASN HD2y H 1 7.424 0.035 A 20 ASN HD2x H 1 6.999 0.006 A 20 ASN C C 13 172.150 0.000 A 20 ASN CA C 13 55.145 0.145 A 20 ASN CB C 13 36.928 0.046 A 20 ASN N N 15 111.502 0.033 A 20 ASN ND2 N 15 114.216 0.043 A 21 TRP H H 1 7.338 0.020 A 21 TRP HA H 1 5.004 0.009 A 21 TRP HBy H 1 2.888 0.020 A 21 TRP HBx H 1 2.761 0.018 A 21 TRP HE1 H 1 10.403 0.002 A 21 TRP C C 13 175.647 0.000 A 21 TRP CA C 13 57.083 0.024 A 21 TRP CB C 13 31.774 0.081 A 21 TRP N N 15 117.470 0.027 A 21 TRP NE1 N 15 129.197 0.027 A 22 LYS H H 1 9.028 0.006 A 22 LYS HA H 1 4.513 0.005 A 22 LYS HBx H 1 1.532 0.026 A 22 LYS HGx H 1 1.016 0.020 A 22 LYS C C 13 174.573 0.000 A 22 LYS CA C 13 54.329 0.062 A 22 LYS CB C 13 37.081 0.052 A 22 LYS N N 15 121.420 0.032 A 23 THR H H 1 7.792 0.006 A 23 THR HA H 1 4.955 0.006 A 23 THR HB H 1 3.805 0.003 A 23 THR HG2% H 1 0.935 0.006 A 23 THR C C 13 173.380 0.000 A 23 THR CA C 13 59.654 0.088 A 23 THR CB C 13 71.31 0.046 A 23 THR CG2 C 13 22.057 0.000 A 23 THR N N 15 109.599 0.045 A 24 ALA H H 1 8.193 0.004 A 24 ALA HA H 1 4.228 0.014 A 24 ALA C C 13 173.529 0.000 A 24 ALA CA C 13 50.787 0.054 A 24 ALA CB C 13 22.035 0.044 A 24 ALA N N 15 125.966 0.046 A 25 ARG H H 1 7.783 0.014 A 25 ARG HA H 1 5.163 0.006 A 25 ARG HBy H 1 1.439 0.021 A 25 ARG HBx H 1 1.379 0.017 A 25 ARG HD2 H 1 2.932 0.006 A 25 ARG HD3 H 1 2.932 0.006 A 25 ARG CA C 13 53.997 0.078 A 25 ARG CB C 13 33.506 0.086 A 25 ARG CD C 13 43.554 0.059 A 25 ARG N N 15 115.327 0.029 A 26 ASP H H 1 9.220 0.011 A 26 ASP N N 15 126.907 0.094 A 27 PRO C C 13 177.700 0.000 A 27 PRO CA C 13 65.505 0.051 A 27 PRO CB C 13 32.008 0.067 A 28 GLU H H 1 7.982 0.003 A 28 GLU HA H 1 4.355 0.004 A 28 GLU HGy H 1 2.404 0.002 A 28 GLU HGx H 1 2.233 0.017 A 28 GLU C C 13 176.678 0.000 A 28 GLU CA C 13 55.746 0.043 A 28 GLU CB C 13 29.993 0.079 A 28 GLU N N 15 115.072 0.029 A 29 GLY H H 1 8.475 0.008 A 29 GLY HAy H 1 4.211 0.006 A 29 GLY HAx H 1 3.463 0.015 A 29 GLY C C 13 174.255 0.000 A 29 GLY CA C 13 45.355 0.081 A 29 GLY N N 15 109.421 0.025 A 30 LYS H H 1 8.630 0.009 A 30 LYS HA H 1 4.285 0.017 A 30 LYS C C 13 176.457 0.000 A 30 LYS CA C 13 56.803 0.062 A 30 LYS CB C 13 32.701 0.008 A 30 LYS CG C 13 25.054 0.000 A 30 LYS N N 15 124.700 0.023 A 31 ILE H H 1 8.377 0.005 A 31 ILE HA H 1 4.550 0.004 A 31 ILE HB H 1 1.648 0.008 A 31 ILE HD1% H 1 0.590 0.008 A 31 ILE HG1y H 1 1.487 0.027 A 31 ILE HG1x H 1 0.965 0.011 A 31 ILE C C 13 174.967 0.000 A 31 ILE CA C 13 60.976 0.052 A 31 ILE CB C 13 39.119 0.159 A 31 ILE CD1 C 13 17.051 0.022 A 31 ILE CG2 C 13 17.298 0.000 A 31 ILE N N 15 125.775 0.020 A 32 TYR H H 1 8.529 0.004 A 32 TYR HA H 1 4.720 0.011 A 32 TYR HB2 H 1 2.500 0.036 A 32 TYR HB3 H 1 2.500 0.036 A 32 TYR C C 13 171.148 0.000 A 32 TYR CA C 13 55.417 0.009 A 32 TYR CB C 13 39.738 0.047 A 32 TYR N N 15 121.965 0.043 A 33 TYR H H 1 8.674 0.004 A 33 TYR HA H 1 5.282 0.031 A 33 TYR HBy H 1 2.914 0.010 A 33 TYR HBx H 1 2.653 0.019 A 33 TYR C C 13 175.004 0.000 A 33 TYR CA C 13 56.586 0.092 A 33 TYR CB C 13 41.618 0.098 A 33 TYR N N 15 117.141 0.049 A 34 TYR H H 1 9.237 0.004 A 34 TYR C C 13 171.430 0.000 A 34 TYR CA C 13 55.649 0.066 A 34 TYR CB C 13 42.784 0.052 A 34 TYR N N 15 119.729 0.027 A 35 HIS H H 1 7.800 0.009 A 35 HIS HA H 1 3.863 0.015 A 35 HIS C C 13 178.528 0.000 A 35 HIS CA C 13 54.908 0.045 A 35 HIS CB C 13 31.988 0.142 A 35 HIS N N 15 125.241 0.020 A 36 VAL H H 1 8.323 0.007 A 36 VAL HA H 1 3.690 0.005 A 36 VAL HB H 1 1.974 0.009 A 36 VAL HG1% H 1 0.703 0.007 A 36 VAL HG2% H 1 0.703 0.007 A 36 VAL C C 13 176.525 0.000 A 36 VAL CA C 13 64.549 0.113 A 36 VAL CB C 13 31.903 0.038 A 36 VAL CG1 C 13 21.391 0.124 A 36 VAL CG2 C 13 21.391 0.124 A 36 VAL N N 15 121.804 0.032 A 37 ILE H H 1 8.812 0.010 A 37 ILE HA H 1 4.142 0.008 A 37 ILE HB H 1 1.960 0.012 A 37 ILE HG12 H 1 0.715 0.006 A 37 ILE HG13 H 1 0.715 0.006 A 37 ILE C C 13 178.200 0.000 A 37 ILE CA C 13 62.613 0.106 A 37 ILE CB C 13 38.369 0.066 A 37 ILE N N 15 120.602 0.030 A 38 THR H H 1 8.846 0.007 A 38 THR HA H 1 3.944 0.004 A 38 THR HG2% H 1 0.690 0.003 A 38 THR C C 13 176.563 0.000 A 38 THR CA C 13 63.115 0.046 A 38 THR CB C 13 69.516 0.057 A 38 THR CG2 C 13 21.135 0.000 A 38 THR N N 15 111.961 0.021 A 39 ARG H H 1 7.983 0.005 A 39 ARG HA H 1 3.952 0.008 A 39 ARG HB2 H 1 2.141 0.000 A 39 ARG HB3 H 1 2.141 0.000 A 39 ARG HG2 H 1 1.418 0.019 A 39 ARG HG3 H 1 1.418 0.019 A 39 ARG C C 13 175.565 0.000 A 39 ARG CA C 13 56.965 0.072 A 39 ARG N N 15 113.592 0.039 A 40 GLN H H 1 7.724 0.011 A 40 GLN HA H 1 4.197 0.011 A 40 GLN HBy H 1 2.302 0.031 A 40 GLN HBx H 1 1.888 0.008 A 40 GLN HE2y H 1 7.833 0.011 A 40 GLN HE2x H 1 7.001 0.007 A 40 GLN HG2 H 1 2.221 0.012 A 40 GLN HG3 H 1 2.221 0.012 A 40 GLN C C 13 174.508 0.000 A 40 GLN CA C 13 56.808 0.062 A 40 GLN CB C 13 29.529 0.064 A 40 GLN CG C 13 33.962 0.025 A 40 GLN N N 15 120.454 0.023 A 40 GLN NE2 N 15 113.126 0.023 A 41 THR H H 1 8.265 0.005 A 41 THR HB H 1 3.884 0.007 A 41 THR HG2% H 1 1.053 0.007 A 41 THR C C 13 174.484 0.000 A 41 THR CA C 13 59.969 0.084 A 41 THR CB C 13 72.316 0.055 A 41 THR CG2 C 13 22.109 0.135 A 41 THR N N 15 113.435 0.029 A 42 GLN H H 1 9.228 0.007 A 42 GLN HA H 1 4.756 0.010 A 42 GLN HB2 H 1 2.552 0.011 A 42 GLN HB3 H 1 2.552 0.011 A 42 GLN HE2y H 1 7.317 0.035 A 42 GLN HE2x H 1 6.438 0.121 A 42 GLN HGy H 1 2.180 0.006 A 42 GLN HGx H 1 2.149 0.010 A 42 GLN C C 13 174.546 0.000 A 42 GLN CA C 13 55.174 0.056 A 42 GLN CB C 13 32.438 0.064 A 42 GLN N N 15 116.543 0.039 A 42 GLN NE2 N 15 112.261 0.017 A 43 TRP H H 1 8.726 0.010 A 43 TRP HA H 1 4.946 0.004 A 43 TRP HBy H 1 3.580 0.009 A 43 TRP HBx H 1 3.090 0.009 A 43 TRP C C 13 175.971 0.000 A 43 TRP CA C 13 58.906 0.026 A 43 TRP CB C 13 30.926 0.043 A 43 TRP N N 15 119.648 0.026 A 44 ASP H H 1 7.834 0.008 A 44 ASP HA H 1 5.069 0.006 A 44 ASP HBy H 1 2.522 0.008 A 44 ASP HBx H 1 2.275 0.013 A 44 ASP CA C 13 51.594 0.031 A 44 ASP CB C 13 40.605 0.063 A 44 ASP N N 15 117.344 0.047 A 46 PRO HA H 1 2.764 0.005 A 46 PRO HBy H 1 1.441 0.011 A 46 PRO HBx H 1 1.346 0.019 A 46 PRO HGy H 1 1.848 0.025 A 46 PRO HGx H 1 1.801 0.019 A 46 PRO C C 13 175.310 0.000 A 46 PRO CA C 13 60.803 0.240 A 46 PRO CB C 13 30.37 0.119 A 47 THR H H 1 7.706 0.037 A 47 THR HA H 1 4.196 0.010 A 47 THR HB H 1 4.063 0.000 A 47 THR HG2% H 1 0.994 0.009 A 47 THR C C 13 174.020 0.000 A 47 THR CA C 13 60.895 0.048 A 47 THR CB C 13 70.238 0.054 A 47 THR CG2 C 13 21.666 0.000 A 47 THR N N 15 112.624 0.037 A 48 TRP H H 1 8.398 0.005 A 48 TRP HA H 1 4.414 0.016 A 48 TRP HBy H 1 3.190 0.013 A 48 TRP HBx H 1 2.987 0.013 A 48 TRP HE1 H 1 10.008 0.002 A 48 TRP C C 13 175.670 0.000 A 48 TRP CA C 13 57.531 0.089 A 48 TRP CB C 13 29.62 0.053 A 48 TRP N N 15 123.454 0.041 A 48 TRP NE1 N 15 129.386 0.020 A 49 GLU H H 1 8.250 0.004 A 49 GLU HA H 1 4.186 0.020 A 49 GLU HBy H 1 1.872 0.009 A 49 GLU HBx H 1 1.756 0.011 A 49 GLU HG2 H 1 2.063 0.007 A 49 GLU HG3 H 1 2.063 0.007 A 49 GLU C C 13 175.615 0.000 A 49 GLU CA C 13 56.214 0.165 A 49 GLU CB C 13 30.657 0.057 A 49 GLU CG C 13 36.172 0.029 A 49 GLU N N 15 123.101 0.024 A 50 SER H H 1 8.234 0.006 A 50 SER HA H 1 4.225 0.386 A 50 SER HB2 H 1 3.673 0.010 A 50 SER HB3 H 1 3.673 0.010 A 50 SER CB C 13 63.382 0.052 A 50 SER N N 15 118.220 0.029 A 51 PRO HA H 1 4.311 0.012 A 51 PRO HB2 H 1 2.162 0.005 A 51 PRO HB3 H 1 2.162 0.005 A 51 PRO HDy H 1 3.669 0.015 A 51 PRO HDx H 1 3.529 0.004 A 51 PRO HG2 H 1 1.895 0.018 A 51 PRO HG3 H 1 1.895 0.018 A 51 PRO C C 13 177.390 0.000 A 51 PRO CA C 13 63.54 0.054 A 51 PRO CB C 13 32.065 0.040 A 51 PRO CD C 13 50.746 0.107 A 51 PRO CG C 13 27.37 0.085 A 52 GLY H H 1 8.300 0.005 A 52 GLY HA2 H 1 3.855 0.008 A 52 GLY HA3 H 1 3.855 0.008 A 52 GLY C C 13 173.834 0.000 A 52 GLY CA C 13 45.13 0.073 A 52 GLY N N 15 109.096 0.020 A 53 ASP H H 1 8.161 0.002 A 53 ASP HA H 1 4.492 0.009 A 53 ASP HBy H 1 2.578 0.020 A 53 ASP HBx H 1 2.534 0.003 A 53 ASP C C 13 176.050 0.000 A 53 ASP CA C 13 54.409 0.060 A 53 ASP CB C 13 41.113 0.083 A 53 ASP N N 15 120.491 0.017 A 54 ASP H H 1 8.278 0.009 A 54 ASP HA H 1 4.482 0.010 A 54 ASP HBy H 1 2.576 0.014 A 54 ASP HBx H 1 2.544 0.005 A 54 ASP C C 13 175.814 0.000 A 54 ASP CA C 13 54.316 0.074 A 54 ASP CB C 13 41.004 0.046 A 54 ASP N N 15 120.310 0.028 A 55 ALA H H 1 8.112 0.003 A 55 ALA HA H 1 4.293 0.009 A 55 ALA HB% H 1 1.310 0.007 A 55 ALA C C 13 176.876 0.000 A 55 ALA CA C 13 52.448 0.060 A 55 ALA CB C 13 19.342 0.021 A 55 ALA N N 15 124.719 0.039 A 56 SER H H 1 7.875 0.002 A 56 SER HA H 1 4.042 0.026 A 56 SER CA C 13 60.153 0.031 A 56 SER CB C 13 64.811 0.024 A 56 SER N N 15 121.159 0.026 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 10 SER HA A 10 SER HB2 1.0 1.608 2.852 2 2 A 10 SER HA A 11 LYS H 1.0 1.720 3.290 3 3 A 11 LYS HA A 12 PRO HDy 1.0 1.703 3.215 4 4 A 53 ASP HA A 53 ASP HBx 1.0 1.595 2.807 5 5 A 22 LYS HA A 17 LEU HDx% 1.0 1.799 3.665 6 6 A 53 ASP HA A 54 ASP H 1.0 1.706 3.226 7 7 A 54 ASP HA A 55 ALA H 1.0 1.762 3.476 8 8 A 22 LYS HA A 23 THR H 1.0 1.684 3.138 9 9 A 38 THR HA A 39 ARG H 1.0 1.900 4.310 10 10 A 38 THR HA A 38 THR HG2% 1.0 1.603 2.833 11 11 A 12 PRO HB3 A 12 PRO HA 1.0 1.575 2.737 12 12 A 36 VAL HB A 36 VAL HA 1.0 1.681 3.125 13 13 A 21 TRP HBy A 21 TRP H 1.0 1.761 3.473 14 14 A 21 TRP H A 21 TRP HBx 1.0 1.762 3.478 15 15 A 12 PRO HDy A 12 PRO HDx 1.0 1.362 2.120 16 16 A 12 PRO HB3 A 12 PRO HDx 1.0 1.572 2.728 17 17 A 11 LYS HA A 12 PRO HDx 1.0 1.536 2.610 18 18 A 54 ASP H A 51 PRO HDx 1.0 1.794 3.638 19 19 A 12 PRO HB3 A 51 PRO HDy 1.0 1.807 3.707 20 20 A 51 PRO HDy A 12 PRO HGx 1.0 1.754 3.440 21 21 A 12 PRO HA A 51 PRO HDy 1.0 1.957 4.871 22 22 A 24 ALA HA A 25 ARG H 1.0 1.611 2.859 23 23 A 24 ALA HA A 24 ALA HB1 1.0 1.548 2.650 24 24 A 51 PRO HDx A 51 PRO HG3 1.0 1.359 2.111 25 25 A 12 PRO HDy A 12 PRO HGx 1.0 1.510 2.532 26 26 A 53 ASP HA A 51 PRO HG3 1.0 1.779 3.561 27 27 A 51 PRO HG3 A 51 PRO HA 1.0 1.771 3.521 28 28 A 33 TYR HA A 33 TYR HBx 1.0 1.744 3.392 29 29 A 33 TYR HA A 23 THR HG2% 1.0 1.874 4.120 30 30 A 49 GLU HA A 49 GLU HBx 1.0 1.531 2.597 31 31 A 13 LYS HA A 13 LYS HB3 1.0 1.642 2.976 32 32 A 33 TYR HA A 33 TYR HBy 1.0 1.753 3.437 33 33 A 33 TYR HA A 34 TYR H 1.0 1.692 3.170 34 34 A 13 LYS HA A 13 LYS HG3 1.0 1.769 3.513 35 35 A 14 THR HA A 15 ILE HG1x 1.0 1.745 3.397 36 36 A 14 THR HA A 14 THR HG2% 1.0 1.660 3.040 37 37 A 16 VAL HB A 16 VAL HA 1.0 1.662 3.052 38 38 A 14 THR HA A 15 ILE H 1.0 1.542 2.630 39 39 A 14 THR HA A 14 THR H 1.0 1.790 3.616 40 40 A 16 VAL HA A 17 LEU H 1.0 1.508 2.522 41 41 A 16 VAL HA A 16 VAL H 1.0 1.802 3.680 42 42 A 31 ILE HA A 25 ARG HBx 1.0 1.829 3.831 43 43 A 31 ILE HA A 25 ARG HBy 1.0 1.854 3.984 44 44 A 47 THR HA A 47 THR HG2% 1.0 1.652 3.012 45 45 A 15 ILE HA A 15 ILE HB 1.0 1.681 3.123 46 46 A 15 ILE HG1x A 15 ILE HA 1.0 1.802 3.678 47 47 A 47 THR HA A 48 TRP HBx 1.0 1.882 4.174 48 48 A 47 THR HA A 47 THR H 1.0 1.771 3.523 49 49 A 16 VAL H A 15 ILE HA 1.0 1.498 2.494 50 50 A 47 THR HA A 48 TRP H 1.0 1.586 2.776 51 51 A 31 ILE HA A 32 TYR H 1.0 1.755 3.447 52 52 A 15 ILE HG1x A 15 ILE HB 1.0 1.723 3.299 53 53 A 15 ILE HB A 15 ILE HG2% 1.0 1.552 2.662 54 54 A 38 THR H A 37 ILE HB 1.0 1.676 3.106 55 55 A 15 ILE HB A 15 ILE HG1y 1.0 1.691 3.165 56 56 A 15 ILE HA A 15 ILE HG1y 1.0 1.603 2.833 57 57 A 21 TRP HBy A 36 VAL HG2% 1.0 1.703 3.211 58 58 A 16 VAL HA A 16 VAL HG2% 1.0 1.982 5.256 59 59 A 36 VAL HG2% A 21 TRP HA 1.0 1.807 3.709 60 60 A 36 VAL HG2% A 37 ILE H 1.0 1.995 5.593 61 61 A 17 LEU H A 16 VAL HG2% 1.0 1.982 5.270 62 62 A 17 LEU HA A 17 LEU HBx 1.0 1.641 2.971 63 63 A 17 LEU HA A 17 LEU HG 1.0 1.702 3.210 64 64 A 55 ALA HA A 55 ALA HB% 1.0 1.744 3.396 65 65 A 17 LEU H A 17 LEU HA 1.0 1.789 3.613 66 66 A 55 ALA H A 55 ALA HA 1.0 1.846 3.932 67 67 A 55 ALA HA A 56 SER H 1.0 1.842 3.906 68 68 A 17 LEU HBx A 17 LEU HG 1.0 1.575 2.737 69 69 A 17 LEU HDx% A 17 LEU HBx 1.0 1.620 2.892 70 70 A 17 LEU HBx A 17 LEU HDy% 1.0 1.754 3.440 71 71 A 17 LEU HDy% A 17 LEU HBy 1.0 1.695 3.179 72 72 A 17 LEU HBx A 17 LEU HBy 1.0 1.532 2.600 73 73 A 21 TRP HBy A 17 LEU HBx 1.0 1.805 3.699 74 74 A 21 TRP HBy A 17 LEU HBy 1.0 1.770 3.520 75 75 A 17 LEU H A 17 LEU HBy 1.0 1.770 3.520 76 76 A 21 TRP HA A 35 HIS HA 1.0 1.744 3.392 77 77 A 36 VAL HG2% A 20 ASN HBx 1.0 1.696 3.188 78 78 A 36 VAL HG2% A 20 ASN HBy 1.0 1.764 3.488 79 79 A 20 ASN HBx A 20 ASN HBy 1.0 1.578 2.746 80 80 A 22 LYS HA A 22 LYS HBy 1.0 1.708 3.234 81 81 A 20 ASN HBy A 20 ASN HA 1.0 1.702 3.210 82 82 A 20 ASN HBx A 20 ASN HA 1.0 1.726 3.310 83 83 A 20 ASN HBy A 20 ASN HD2y 1.0 1.708 3.234 84 84 A 22 LYS HBy A 22 LYS HGy 1.0 1.612 2.864 85 85 A 21 TRP HA A 22 LYS H 1.0 1.822 3.792 86 86 A 39 ARG HA A 39 ARG HB3 1.0 1.753 3.437 87 87 A 38 THR H A 39 ARG HA 1.0 1.899 4.301 88 88 A 31 ILE H A 30 LYS HA 1.0 1.542 2.630 89 89 A 54 ASP HA A 54 ASP HBx 1.0 1.884 4.190 90 90 A 22 LYS HA A 22 LYS HBx 1.0 1.724 3.304 91 91 A 22 LYS HA A 22 LYS HGy 1.0 1.759 3.465 92 92 A 22 LYS H A 22 LYS HBx 1.0 1.982 5.266 93 93 A 23 THR HG2% A 23 THR HA 1.0 1.876 4.130 94 94 A 23 THR HA A 24 ALA H 1.0 1.789 3.613 95 95 A 47 THR HG2% A 47 THR HB 1.0 1.526 2.580 96 96 A 25 ARG H A 24 ALA HB1 1.0 1.607 2.847 97 97 A 24 ALA HB1 A 24 ALA H 1.0 1.718 3.278 98 98 A 26 ASP H A 25 ARG HA 1.0 1.693 3.171 99 99 A 25 ARG HBx A 25 ARG HD2 1.0 1.876 4.130 100 100 A 28 GLU HA A 28 GLU H 1.0 1.717 3.275 101 101 A 28 GLU HA A 29 GLY H 1.0 1.797 3.655 102 102 A 28 GLU HGy A 30 LYS H 1.0 1.917 4.449 103 103 A 31 ILE HB A 31 ILE HG1y 1.0 1.824 3.802 104 104 A 30 LYS HA A 31 ILE HB 1.0 1.834 3.860 105 105 A 33 TYR HBx A 31 ILE HD1% 1.0 1.924 4.518 106 106 A 31 ILE HD1% A 23 THR HB 1.0 1.822 3.790 107 107 A 23 THR HA A 31 ILE HD1% 1.0 1.852 3.976 108 108 A 31 ILE HD1% A 32 TYR HA 1.0 1.808 3.714 109 109 A 31 ILE HA A 31 ILE HD1% 1.0 1.691 3.165 110 110 A 24 ALA H A 31 ILE HD1% 1.0 1.864 4.054 111 111 A 34 TYR HA A 41 THR HG2% 1.0 1.829 3.831 112 112 A 33 TYR HBx A 42 GLN HE2y 1.0 1.923 4.505 113 113 A 36 VAL HA A 36 VAL H 1.0 1.770 3.516 114 114 A 37 ILE HB A 37 ILE HA 1.0 1.729 3.329 115 115 A 41 THR H A 40 GLN HA 1.0 1.542 2.630 116 116 A 41 THR HG2% A 40 GLN HA 1.0 1.996 5.650 117 117 A 40 GLN HA A 40 GLN HBy 1.0 1.558 2.680 118 118 A 40 GLN HA A 40 GLN HG2 1.0 1.707 3.231 119 119 A 40 GLN HG2 A 40 GLN HE2y 1.0 1.620 2.892 120 120 A 40 GLN HE2y A 40 GLN HBx 1.0 1.654 3.018 121 121 A 40 GLN HA A 40 GLN HBx 1.0 1.722 3.294 122 122 A 34 TYR HA A 41 THR HA 1.0 1.776 3.548 123 123 A 41 THR HG2% A 42 GLN HE2x 1.0 1.759 3.461 124 124 A 41 THR HG2% A 41 THR HA 1.0 1.551 2.657 125 125 A 41 THR HG2% A 42 GLN H 1.0 1.733 3.345 126 126 A 48 TRP HA A 48 TRP HBy 1.0 1.611 2.859 127 127 A 48 TRP HBx A 48 TRP HA 1.0 1.626 2.914 128 128 A 31 ILE HG1y A 48 TRP HA 1.0 1.805 3.693 129 129 A 48 TRP H A 48 TRP HA 1.0 1.891 4.237 130 130 A 42 GLN HB3 A 42 GLN HA 1.0 1.702 3.208 131 131 A 42 GLN HB3 A 44 ASP H 1.0 1.801 3.677 132 132 A 43 TRP HBx A 43 TRP HBy 1.0 1.580 2.756 133 133 A 43 TRP HBx A 43 TRP HA 1.0 1.752 3.432 134 134 A 44 ASP HA A 44 ASP HBx 1.0 1.747 3.409 135 135 A 44 ASP H A 44 ASP HA 1.0 1.861 4.029 136 136 A 44 ASP HA A 44 ASP HBy 1.0 1.706 3.228 137 137 A 48 TRP HBx A 48 TRP HBy 1.0 1.515 2.545 138 138 A 47 THR HA A 48 TRP HBy 1.0 1.863 4.041 139 139 A 49 GLU HA A 49 GLU HBy 1.0 1.671 3.083 140 140 A 49 GLU HBx A 49 GLU H 1.0 1.743 3.389 141 141 A 48 TRP HBy A 49 GLU HG3 1.0 1.756 3.452 142 142 A 49 GLU HA A 49 GLU HG3 1.0 1.672 3.092 143 143 A 49 GLU H A 49 GLU HG3 1.0 1.730 3.334 144 144 A 51 PRO HG3 A 54 ASP HBy 1.0 1.743 3.385 145 145 A 52 GLY H A 52 GLY HA2 1.0 1.685 3.137 146 146 A 56 SER HA A 56 SER HBy 1.0 1.960 7.170 147 147 A 56 SER HA A 56 SER HBx 1.0 1.499 10.507 148 148 A 12 PRO HA A 49 GLU HBx 1.0 1.817 3.761 149 149 A 12 PRO HA A 52 GLY H 1.0 1.634 9.790 150 150 A 36 VAL HG2% A 20 ASN HA 1.0 1.749 3.417 151 151 A 25 ARG HBx A 25 ARG HA 1.0 1.554 2.670 152 152 A 54 ASP H A 54 ASP HA 1.0 1.268 11.570 153 153 A 25 ARG H A 25 ARG HA 1.0 0.000 28.634 154 154 A 25 ARG HA A 25 ARG HD2 1.0 0.000 18.816 155 155 A 33 TYR HBx A 42 GLN HE2x 1.0 1.710 3.244 156 156 A 31 ILE HA A 31 ILE HB 1.0 1.542 2.632 157 157 A 43 TRP HBy A 43 TRP HA 1.0 1.703 3.215 158 158 A 43 TRP HBy A 43 TRP H 1.0 1.712 3.250 159 159 A 36 VAL HA A 36 VAL HG2% 1.0 1.651 3.007 160 160 A 19 PRO HA A 19 PRO HB3 1.0 2.000 6.004 161 161 A 16 VAL HB A 19 PRO HA 1.0 1.897 7.921 162 162 A 51 PRO HA A 51 PRO HB3 1.0 1.626 2.914 163 163 A 12 PRO HA A 13 LYS H 1.0 1.608 2.852 164 164 A 15 ILE HA A 15 ILE HG2% 1.0 1.795 3.647 165 165 A 39 ARG HA A 39 ARG HG2 1.0 1.690 3.162 166 166 A 22 LYS HA A 22 LYS H 1.0 1.858 4.008 167 167 A 12 PRO HDx A 12 PRO HGx 1.0 1.774 3.536 168 168 A 51 PRO HDy A 56 SER HBy 1.0 1.270 1.898 169 169 A 22 LYS HGy A 22 LYS HGx 1.0 1.607 2.847 170 170 A 22 LYS HBy A 22 LYS HGx 1.0 1.499 2.495 171 171 A 22 LYS HA A 22 LYS HGx 1.0 1.753 3.433 172 172 A 16 VAL HB A 16 VAL HG2% 1.0 1.407 2.237 173 173 A 41 THR HG2% A 42 GLN HA 1.0 1.993 5.525 174 174 A 23 THR HA A 23 THR HB 1.0 1.654 3.018 175 175 A 24 ALA H A 23 THR HB 1.0 1.680 3.120 176 176 A 33 TYR HA A 23 THR HA 1.0 1.764 3.490 177 177 A 28 GLU HGy A 28 GLU HGx 1.0 1.620 2.892 178 178 A 37 ILE HB A 37 ILE HG12 1.0 1.634 2.946 179 179 A 46 PRO HA A 46 PRO HGy 1.0 1.730 3.330 180 180 A 46 PRO HA A 46 PRO HBx 1.0 1.668 3.070 181 181 A 46 PRO HA A 46 PRO HBy 1.0 1.850 3.962 182 182 A 47 THR HG2% A 46 PRO HBy 1.0 1.984 5.294 183 183 A 25 ARG HD2 A 29 GLY HAy 1.0 1.729 3.329 184 184 A 25 ARG HBy A 25 ARG HD2 1.0 1.414 2.256 185 185 A 25 ARG HD2 A 29 GLY H 1.0 1.819 3.773 186 186 A 17 LEU HA A 17 LEU HBy 1.0 1.689 3.155 187 187 A 32 TYR H A 25 ARG HA 1.0 1.842 3.914 188 188 A 31 ILE HD1% A 33 TYR H 1.0 1.961 4.917 189 189 A 20 ASN HA A 22 LYS HGx 1.0 1.486 2.458 190 190 A 22 LYS HGx A 20 ASN H 1.0 1.905 4.357 191 191 A 21 TRP H A 22 LYS HGx 1.0 1.827 3.823 192 192 A 21 TRP HA A 22 LYS HGx 1.0 1.953 4.825 193 193 A 21 TRP HA A 17 LEU HDy% 1.0 1.949 4.775 194 194 A 21 TRP HBx A 17 LEU HDy% 1.0 1.817 3.765 195 195 A 21 TRP HBy A 17 LEU HDy% 1.0 1.605 2.839 196 196 A 42 GLN H A 41 THR HB 1.0 1.806 3.704 197 197 A 41 THR HA A 41 THR HB 1.0 1.734 3.350 198 198 A 42 GLN HA A 41 THR HB 1.0 1.904 4.338 199 199 A 40 GLN HA A 41 THR HB 1.0 1.940 4.674 200 200 A 41 THR HG2% A 41 THR HB 1.0 1.650 3.002 201 201 A 26 ASP H A 30 LYS H 1.0 1.841 3.901 202 202 A 34 TYR H A 33 TYR H 1.0 1.866 4.064 203 203 A 41 THR H A 42 GLN H 1.0 1.968 5.020 204 204 A 34 TYR H A 22 LYS H 1.0 1.805 3.699 205 205 A 38 THR H A 40 GLN H 1.0 1.930 4.568 206 206 A 39 ARG H A 38 THR H 1.0 1.711 3.247 207 207 A 42 GLN H A 33 TYR H 1.0 1.881 4.171 208 208 A 28 GLU H A 29 GLY H 1.0 1.553 2.665 209 209 A 32 TYR H A 24 ALA H 1.0 1.761 3.471 210 210 A 39 ARG H A 37 ILE H 1.0 1.888 4.216 211 211 A 23 THR H A 24 ALA H 1.0 1.828 3.830 212 212 A 44 ASP H A 43 TRP H 1.0 1.742 3.382 213 213 A 42 GLN H A 44 ASP H 1.0 1.950 4.782 214 214 A 23 THR H A 22 LYS H 1.0 1.906 4.358 215 215 A 34 TYR H A 35 HIS H 1.0 1.945 4.735 216 216 A 47 THR H A 48 TRP H 1.0 1.828 3.824 217 217 A 42 GLN HE2y A 42 GLN HE2x 1.0 1.573 2.729 218 218 A 21 TRP H A 22 LYS H 1.0 1.793 3.633 219 219 A 20 ASN HD2y A 20 ASN HD2x 1.0 1.508 2.526 220 220 A 40 GLN HE2y A 40 GLN HE2x 1.0 1.373 2.149 221 221 A 34 TYR HA A 35 HIS H 1.0 1.684 3.136 222 222 A 41 THR HA A 42 GLN H 1.0 1.682 3.128 223 223 A 41 THR H A 41 THR HA 1.0 1.823 3.797 224 224 A 33 TYR HA A 24 ALA H 1.0 1.917 4.453 225 225 A 33 TYR HA A 33 TYR H 1.0 1.921 4.485 226 226 A 33 TYR HA A 32 TYR H 1.0 1.882 4.178 227 227 A 48 TRP HA A 49 GLU H 1.0 1.707 3.231 228 228 A 13 LYS HA A 13 LYS H 1.0 1.588 2.784 229 229 A 24 ALA HA A 24 ALA H 1.0 1.734 3.346 230 230 A 13 LYS HA A 14 THR H 1.0 1.578 2.746 231 231 A 29 GLY H A 29 GLY HAy 1.0 1.597 2.811 232 232 A 49 GLU HA A 49 GLU H 1.0 1.701 3.205 233 233 A 40 GLN HA A 40 GLN H 1.0 1.759 3.461 234 234 A 49 GLU HA A 50 SER H 1.0 1.664 3.056 235 235 A 37 ILE H A 37 ILE HA 1.0 1.691 3.165 236 236 A 38 THR H A 37 ILE HA 1.0 1.822 3.792 237 237 A 14 THR H A 14 THR HG1 1.0 1.587 2.777 238 238 A 39 ARG HA A 40 GLN H 1.0 1.760 3.466 239 239 A 39 ARG H A 39 ARG HA 1.0 1.588 2.782 240 240 A 38 THR HA A 38 THR H 1.0 1.769 3.511 241 241 A 35 HIS HA A 35 HIS H 1.0 1.793 3.633 242 242 A 21 TRP H A 20 ASN HA 1.0 1.680 3.118 243 243 A 35 HIS HA A 36 VAL H 1.0 1.552 2.660 244 244 A 52 GLY HA2 A 53 ASP H 1.0 1.606 2.844 245 245 A 23 THR H A 23 THR HB 1.0 1.934 4.616 246 246 A 10 SER HB2 A 11 LYS H 1.0 1.974 5.118 247 247 A 36 VAL HA A 37 ILE H 1.0 1.742 3.386 248 248 A 50 SER H A 50 SER HB2 1.0 1.616 2.880 249 249 A 49 GLU H A 50 SER HB2 1.0 2.000 5.878 250 250 A 43 TRP HBx A 43 TRP H 1.0 1.762 3.478 251 251 A 30 LYS H A 29 GLY HAy 1.0 1.756 3.450 252 252 A 48 TRP HBx A 48 TRP H 1.0 1.706 3.226 253 253 A 48 TRP H A 48 TRP HBy 1.0 1.664 3.056 254 254 A 48 TRP HBy A 49 GLU H 1.0 1.807 3.707 255 255 A 25 ARG HD2 A 30 LYS H 1.0 1.977 5.159 256 256 A 33 TYR HBx A 33 TYR H 1.0 1.822 3.788 257 257 A 20 ASN HBy A 36 VAL H 1.0 1.816 3.760 258 258 A 20 ASN HBy A 20 ASN H 1.0 1.785 3.591 259 259 A 33 TYR HBy A 34 TYR H 1.0 1.735 3.353 260 260 A 20 ASN HBy A 20 ASN HD2x 1.0 1.774 3.540 261 261 A 55 ALA H A 54 ASP HBx 1.0 1.884 4.190 262 262 A 54 ASP H A 54 ASP HBx 1.0 1.674 3.096 263 263 A 42 GLN HB3 A 43 TRP H 1.0 1.735 3.353 264 264 A 42 GLN H A 42 GLN HB3 1.0 1.688 3.150 265 265 A 42 GLN HE2x A 42 GLN HB3 1.0 1.716 3.270 266 266 A 54 ASP HBy A 53 ASP H 1.0 1.656 3.026 267 267 A 42 GLN HE2y A 42 GLN HB3 1.0 1.609 2.853 268 268 A 32 TYR H A 32 TYR HB3 1.0 1.840 3.894 269 269 A 41 THR H A 40 GLN HBx 1.0 1.719 3.283 270 270 A 12 PRO HB3 A 13 LYS H 1.0 1.785 3.591 271 271 A 40 GLN HG2 A 40 GLN H 1.0 1.703 3.215 272 272 A 28 GLU H A 28 GLU HGy 1.0 1.478 2.436 273 273 A 29 GLY H A 28 GLU HGy 1.0 1.734 3.346 274 274 A 42 GLN H A 42 GLN HGy 1.0 1.746 3.404 275 275 A 52 GLY H A 51 PRO HB3 1.0 1.863 4.045 276 276 A 36 VAL HB A 36 VAL H 1.0 1.707 3.231 277 277 A 51 PRO HG3 A 52 GLY H 1.0 1.778 3.554 278 278 A 16 VAL HB A 16 VAL H 1.0 1.630 2.926 279 279 A 21 TRP H A 20 ASN HBx 1.0 1.904 4.342 280 280 A 20 ASN HBx A 20 ASN HD2y 1.0 1.723 3.301 281 281 A 20 ASN HBx A 20 ASN HD2x 1.0 1.797 3.659 282 282 A 41 THR H A 40 GLN HBy 1.0 1.699 3.199 283 283 A 20 ASN HBx A 20 ASN H 1.0 1.801 3.677 284 284 A 50 SER H A 12 PRO HGy 1.0 1.657 3.029 285 285 A 49 GLU HBy A 49 GLU H 1.0 1.595 2.807 286 286 A 15 ILE H A 15 ILE HB 1.0 1.584 2.766 287 287 A 13 LYS HB3 A 14 THR H 1.0 1.762 3.480 288 288 A 13 LYS HB3 A 13 LYS H 1.0 1.588 2.784 289 289 A 17 LEU H A 17 LEU HBx 1.0 1.557 2.679 290 290 A 31 ILE H A 31 ILE HB 1.0 1.618 2.886 291 291 A 24 ALA H A 31 ILE HG1x 1.0 1.808 3.712 292 292 A 22 LYS HBy A 22 LYS H 1.0 1.777 3.549 293 293 A 23 THR H A 22 LYS HBy 1.0 1.604 2.836 294 294 A 32 TYR H A 31 ILE HG1x 1.0 1.699 3.199 295 295 A 25 ARG HBx A 26 ASP H 1.0 1.760 3.470 296 296 A 25 ARG H A 25 ARG HBx 1.0 1.645 2.983 297 297 A 39 ARG H A 39 ARG HG2 1.0 1.744 3.390 298 298 A 15 ILE HG1x A 15 ILE H 1.0 1.675 3.101 299 299 A 25 ARG HBy A 30 LYS H 1.0 1.600 2.824 300 300 A 13 LYS HG3 A 13 LYS H 1.0 1.772 3.530 301 301 A 15 ILE HG1x A 14 THR H 1.0 1.794 3.638 302 302 A 38 THR H A 39 ARG HG2 1.0 1.860 4.020 303 303 A 25 ARG HBy A 29 GLY H 1.0 1.728 3.320 304 304 A 55 ALA H A 55 ALA HB% 1.0 1.735 3.353 305 305 A 55 ALA HB% A 56 SER H 1.0 1.992 5.502 306 306 A 17 LEU H A 17 LEU HG 1.0 1.726 3.314 307 307 A 15 ILE H A 15 ILE HG1y 1.0 1.637 2.957 308 308 A 15 ILE HG1y A 13 LYS H 1.0 1.906 4.360 309 309 A 14 THR HG2% A 14 THR H 1.0 1.838 3.884 310 310 A 22 LYS HGy A 22 LYS H 1.0 1.743 3.389 311 311 A 32 TYR H A 31 ILE HG1y 1.0 1.783 3.579 312 312 A 23 THR H A 23 THR HG2% 1.0 1.570 2.720 313 313 A 17 LEU HDx% A 17 LEU H 1.0 1.540 2.626 314 314 A 16 VAL H A 16 VAL HG2% 1.0 1.592 2.796 315 315 A 37 ILE H A 37 ILE HG12 1.0 1.612 2.864 316 316 A 36 VAL HG2% A 36 VAL H 1.0 1.534 2.606 317 317 A 34 TYR H A 22 LYS HGx 1.0 1.852 3.972 318 318 A 36 VAL HG2% A 20 ASN HD2y 1.0 1.796 3.652 319 319 A 38 THR H A 37 ILE HG12 1.0 1.598 2.816 320 320 A 32 TYR H A 31 ILE HD1% 1.0 1.654 3.018 321 321 A 44 ASP H A 44 ASP HBy 1.0 1.590 2.788 322 322 A 21 TRP H A 35 HIS H 1.0 1.845 3.931 323 323 A 34 TYR H A 34 TYR HA 1.0 1.841 3.899 324 324 A 44 ASP H A 43 TRP HBx 1.0 1.728 3.320 325 325 A 44 ASP H A 43 TRP HBy 1.0 1.735 3.353 326 326 A 44 ASP H A 44 ASP HBx 1.0 1.635 2.947 327 327 A 21 TRP H A 20 ASN HD2x 1.0 1.779 3.565 328 328 A 20 ASN HA A 20 ASN H 1.0 1.606 2.844 329 329 A 36 VAL HG2% A 20 ASN H 1.0 1.993 5.535 330 330 A 42 GLN HE2y A 42 GLN HGy 1.0 1.773 3.529 331 331 A 22 LYS HA A 17 LEU H 1.0 1.891 4.235 332 332 A 22 LYS H A 36 VAL H 1.0 1.918 4.460 333 333 A 34 TYR H A 42 GLN HE2x 1.0 1.746 3.404 334 334 A 42 GLN HE2x A 35 HIS H 1.0 1.900 4.314 335 335 A 37 ILE HG12 A 40 GLN H 1.0 1.774 3.534 336 336 A 28 GLU H A 30 LYS H 1.0 1.759 3.463 337 337 A 30 LYS HA A 30 LYS H 1.0 1.654 3.018 338 338 A 47 THR HG2% A 48 TRP H 1.0 1.753 3.433 339 339 A 47 THR H A 31 ILE HG1y 1.0 1.722 3.294 340 340 A 47 THR H A 31 ILE HD1% 1.0 1.749 3.417 341 341 A 41 THR H A 41 THR HB 1.0 1.721 3.289 342 342 A 51 PRO HA A 52 GLY H 1.0 1.626 2.914 343 343 A 47 THR HG2% A 49 GLU H 1.0 1.909 4.387 344 344 A 21 TRP H A 36 VAL H 1.0 1.674 3.096 345 345 A 35 HIS HA A 22 LYS H 1.0 1.814 3.742 346 346 A 37 ILE H A 36 VAL H 1.0 1.765 3.493 347 347 A 39 ARG H A 40 GLN H 1.0 1.810 3.728 348 348 A 47 THR H A 48 TRP HA 1.0 2.000 5.844 349 349 A 10 SER HA A 10 SER HB2 1.0 1.634 2.946 350 350 A 10 SER HA A 11 LYS H 1.0 1.793 3.635 351 351 A 22 LYS HA A 17 LEU HDx% 1.0 1.823 3.799 352 352 A 53 ASP HA A 54 ASP H 1.0 1.731 3.335 353 353 A 54 ASP HA A 55 ALA H 1.0 1.786 3.594 354 354 A 38 THR HA A 39 ARG H 1.0 1.918 4.460 355 355 A 12 PRO HA A 12 PRO HGy 1.0 1.636 2.954 356 356 A 38 THR HA A 38 THR HG2% 1.0 1.629 2.925 357 357 A 12 PRO HB3 A 12 PRO HA 1.0 1.602 2.828 358 358 A 36 VAL HB A 36 VAL HA 1.0 1.707 3.229 359 359 A 21 TRP HBy A 21 TRP H 1.0 1.785 3.591 360 360 A 21 TRP H A 21 TRP HBx 1.0 1.786 3.596 361 361 A 12 PRO HDy A 12 PRO HDx 1.0 1.388 2.188 362 362 A 12 PRO HDx A 12 PRO HGx 1.0 1.514 2.542 363 363 A 11 LYS HA A 12 PRO HDx 1.0 1.562 2.696 364 364 A 12 PRO HB3 A 51 PRO HDy 1.0 1.830 3.834 365 365 A 51 PRO HDy A 12 PRO HGx 1.0 1.778 3.556 366 366 A 11 LYS HA A 12 PRO HDy 1.0 1.614 2.874 367 367 A 24 ALA HA A 25 ARG H 1.0 1.636 2.954 368 368 A 24 ALA HA A 24 ALA HB1 1.0 1.574 2.736 369 369 A 51 PRO HDx A 51 PRO HG3 1.0 1.384 2.178 370 370 A 12 PRO HDy A 12 PRO HGx 1.0 1.537 2.615 371 371 A 53 ASP HA A 51 PRO HG3 1.0 1.802 3.682 372 372 A 51 PRO HG3 A 51 PRO HA 1.0 1.795 3.641 373 373 A 33 TYR HA A 42 GLN HE2x 1.0 1.798 3.658 374 374 A 33 TYR HA A 23 THR HA 1.0 1.787 3.601 375 375 A 33 TYR HA A 33 TYR HBx 1.0 1.768 3.506 376 376 A 33 TYR HA A 23 THR HG2% 1.0 1.894 4.262 377 377 A 13 LYS HA A 13 LYS HB3 1.0 1.667 3.069 378 378 A 13 LYS HA A 49 GLU HG3 1.0 1.999 6.161 379 379 A 33 TYR HA A 33 TYR HBy 1.0 1.777 3.553 380 380 A 13 LYS HA A 14 THR H 1.0 1.650 3.006 381 381 A 33 TYR HA A 34 TYR H 1.0 1.717 3.275 382 382 A 13 LYS HA A 13 LYS HG3 1.0 1.793 3.633 383 383 A 16 VAL HB A 16 VAL H 1.0 1.655 3.025 384 384 A 13 LYS HG3 A 13 LYS H 1.0 1.678 3.112 385 385 A 14 THR HA A 14 THR HG2% 1.0 1.686 3.142 386 386 A 16 VAL HB A 16 VAL HA 1.0 1.688 3.154 387 387 A 14 THR HA A 15 ILE H 1.0 1.568 2.716 388 388 A 14 THR HA A 14 THR H 1.0 1.813 3.739 389 389 A 16 VAL HA A 17 LEU H 1.0 1.534 2.604 390 390 A 16 VAL HA A 16 VAL H 1.0 1.824 3.806 391 391 A 31 ILE HA A 31 ILE HG1x 1.0 1.851 3.963 392 392 A 31 ILE HA A 25 ARG HBy 1.0 1.874 4.122 393 393 A 31 ILE HA A 31 ILE HD1% 1.0 1.886 4.204 394 394 A 15 ILE HA A 15 ILE HB 1.0 1.706 3.228 395 395 A 15 ILE HG1x A 15 ILE HA 1.0 1.824 3.804 396 396 A 47 THR HA A 47 THR H 1.0 1.794 3.642 397 397 A 16 VAL H A 15 ILE HA 1.0 1.525 2.575 398 398 A 47 THR HA A 48 TRP H 1.0 1.613 2.867 399 399 A 31 ILE HA A 32 TYR H 1.0 1.780 3.564 400 400 A 31 ILE HA A 25 ARG HA 1.0 1.859 4.019 401 401 A 15 ILE HG1x A 15 ILE HB 1.0 1.748 3.410 402 402 A 15 ILE HB A 15 ILE HG2% 1.0 1.579 2.749 403 403 A 38 THR H A 37 ILE HB 1.0 1.702 3.210 404 404 A 15 ILE HB A 15 ILE HG1y 1.0 1.716 3.268 405 405 A 15 ILE HA A 15 ILE HG1y 1.0 1.629 2.925 406 406 A 16 VAL HB A 16 VAL HG2% 1.0 1.456 2.370 407 407 A 21 TRP HBy A 36 VAL HG2% 1.0 1.727 3.319 408 408 A 39 ARG H A 36 VAL HG2% 1.0 1.652 9.680 409 409 A 17 LEU H A 16 VAL HG2% 1.0 1.990 5.458 410 410 A 17 LEU HA A 17 LEU HBx 1.0 1.667 3.069 411 411 A 17 LEU HA A 17 LEU HG 1.0 1.727 3.317 412 412 A 55 ALA HA A 55 ALA HB% 1.0 1.769 3.511 413 413 A 17 LEU H A 17 LEU HA 1.0 1.812 3.736 414 414 A 55 ALA H A 55 ALA HA 1.0 1.867 4.067 415 415 A 55 ALA HA A 56 SER H 1.0 1.862 4.040 416 416 A 17 LEU HBx A 17 LEU HG 1.0 1.602 2.828 417 417 A 17 LEU HDx% A 17 LEU HBx 1.0 1.646 2.988 418 418 A 17 LEU HBx A 17 LEU HDy% 1.0 1.778 3.556 419 419 A 17 LEU HDy% A 17 LEU HBy 1.0 1.720 3.286 420 420 A 17 LEU HBx A 17 LEU HBy 1.0 1.559 2.685 421 421 A 21 TRP HBy A 17 LEU HBx 1.0 1.828 3.824 422 422 A 21 TRP HBy A 17 LEU HBy 1.0 1.794 3.640 423 423 A 17 LEU H A 17 LEU HBy 1.0 1.794 3.640 424 424 A 17 LEU HA A 17 LEU HBy 1.0 1.800 3.672 425 425 A 51 PRO HA A 52 GLY H 1.0 1.653 3.015 426 426 A 20 ASN HBy A 20 ASN HA 1.0 1.670 3.080 427 427 A 20 ASN HA A 22 LYS HGx 1.0 1.518 2.552 428 428 A 21 TRP HA A 35 HIS HA 1.0 1.768 3.506 429 429 A 36 VAL HG2% A 20 ASN HBx 1.0 1.721 3.295 430 430 A 36 VAL HG2% A 20 ASN HBy 1.0 1.788 3.606 431 431 A 20 ASN HBx A 20 ASN HBy 1.0 1.605 2.837 432 432 A 22 LYS HA A 22 LYS HBy 1.0 1.733 3.343 433 433 A 20 ASN HBx A 20 ASN HA 1.0 1.750 3.422 434 434 A 20 ASN HBy A 20 ASN HD2y 1.0 1.732 3.342 435 435 A 21 TRP H A 20 ASN HBx 1.0 1.695 3.179 436 436 A 28 GLU HGy A 30 LYS H 1.0 1.864 4.048 437 437 A 22 LYS HBy A 22 LYS HGy 1.0 1.638 2.958 438 438 A 21 TRP HA A 22 LYS H 1.0 1.844 3.922 439 439 A 39 ARG HA A 39 ARG HB3 1.0 1.776 3.544 440 440 A 38 THR H A 39 ARG HA 1.0 1.917 4.451 441 441 A 30 LYS HA A 30 LYS H 1.0 1.729 3.325 442 442 A 31 ILE H A 30 LYS HA 1.0 1.568 2.716 443 443 A 54 ASP HA A 54 ASP HBx 1.0 1.600 2.822 444 444 A 21 TRP HBy A 22 LYS HGy 1.0 1.753 3.435 445 445 A 22 LYS HA A 22 LYS HBx 1.0 1.748 3.416 446 446 A 22 LYS HA A 22 LYS HGy 1.0 1.784 3.582 447 447 A 22 LYS H A 22 LYS HBx 1.0 1.990 5.454 448 448 A 23 THR HG2% A 23 THR HA 1.0 1.895 4.273 449 449 A 23 THR HA A 23 THR HB 1.0 1.934 4.610 450 450 A 24 ALA HB1 A 25 ARG HA 1.0 1.844 3.926 451 451 A 25 ARG H A 24 ALA HB1 1.0 1.634 2.942 452 452 A 24 ALA HB1 A 24 ALA H 1.0 1.743 3.389 453 453 A 25 ARG HBx A 25 ARG HA 1.0 1.636 2.950 454 454 A 25 ARG HA A 25 ARG HD2 1.0 1.952 4.802 455 455 A 25 ARG H A 25 ARG HA 1.0 1.842 3.906 456 456 A 26 ASP H A 25 ARG HA 1.0 1.768 3.512 457 457 A 25 ARG HBx A 25 ARG HD2 1.0 1.563 2.699 458 458 A 25 ARG HBx A 29 GLY HAy 1.0 1.763 3.481 459 459 A 28 GLU HA A 28 GLU H 1.0 1.742 3.384 460 460 A 28 GLU HA A 29 GLY H 1.0 1.820 3.780 461 461 A 25 ARG HD2 A 29 GLY HAy 1.0 1.865 8.219 462 462 A 31 ILE HB A 31 ILE HG1y 1.0 1.845 3.933 463 463 A 31 ILE HB A 31 ILE HD1% 1.0 1.781 3.569 464 464 A 34 TYR HA A 41 THR HG2% 1.0 1.851 3.963 465 465 A 34 TYR HA A 40 GLN HE2x 1.0 1.924 4.524 466 466 A 34 TYR HA A 42 GLN HE2x 1.0 1.902 4.326 467 467 A 33 TYR HBx A 42 GLN HE2y 1.0 1.940 4.676 468 468 A 36 VAL HA A 37 ILE H 1.0 1.878 4.152 469 469 A 36 VAL HA A 36 VAL H 1.0 1.793 3.635 470 470 A 37 ILE HB A 37 ILE HA 1.0 1.755 3.441 471 471 A 37 ILE H A 37 ILE HA 1.0 1.757 3.455 472 472 A 40 GLN HA A 40 GLN H 1.0 1.799 3.661 473 473 A 41 THR H A 40 GLN HA 1.0 1.568 2.716 474 474 A 41 THR HG2% A 40 GLN HA 1.0 1.999 5.853 475 475 A 40 GLN HA A 40 GLN HBy 1.0 1.568 2.716 476 476 A 40 GLN HBy A 37 ILE HG12 1.0 1.257 11.617 477 477 A 40 GLN HA A 40 GLN HG2 1.0 1.732 3.340 478 478 A 41 THR H A 40 GLN HG2 1.0 1.927 4.545 479 479 A 40 GLN HG2 A 35 HIS H 1.0 1.646 2.988 480 480 A 41 THR H A 40 GLN HBx 1.0 1.917 4.451 481 481 A 40 GLN HA A 40 GLN HBx 1.0 1.747 3.405 482 482 A 40 GLN HBx A 37 ILE HG12 1.0 1.893 4.259 483 483 A 34 TYR HA A 41 THR HA 1.0 1.800 3.668 484 484 A 41 THR HA A 41 THR HB 1.0 1.795 3.645 485 485 A 41 THR HG2% A 42 GLN HE2x 1.0 1.782 3.578 486 486 A 41 THR HG2% A 41 THR HA 1.0 1.703 3.215 487 487 A 41 THR HG2% A 42 GLN HA 1.0 1.998 6.276 488 488 A 41 THR HG2% A 42 GLN H 1.0 1.758 3.458 489 489 A 48 TRP HA A 48 TRP HBy 1.0 1.636 2.954 490 490 A 48 TRP HBx A 48 TRP HA 1.0 1.652 3.010 491 491 A 31 ILE HG1y A 48 TRP HA 1.0 1.827 3.819 492 492 A 48 TRP H A 48 TRP HA 1.0 1.909 4.385 493 493 A 42 GLN HB3 A 42 GLN HA 1.0 1.726 3.316 494 494 A 42 GLN HB3 A 44 ASP H 1.0 1.824 3.802 495 495 A 43 TRP HBx A 43 TRP HBy 1.0 1.607 2.847 496 496 A 43 TRP HBx A 43 TRP HA 1.0 1.776 3.548 497 497 A 44 ASP HA A 44 ASP HBx 1.0 1.772 3.524 498 498 A 44 ASP H A 44 ASP HA 1.0 1.881 4.167 499 499 A 44 ASP HA A 44 ASP HBy 1.0 1.732 3.336 500 500 A 44 ASP H A 44 ASP HBy 1.0 1.749 3.417 501 501 A 48 TRP HBx A 48 TRP HBy 1.0 1.542 2.628 502 502 A 47 THR HA A 48 TRP HBy 1.0 1.883 4.181 503 503 A 49 GLU HA A 13 LYS HG3 1.0 0.000 18.037 504 504 A 49 GLU HA A 49 GLU H 1.0 1.609 2.853 505 505 A 49 GLU HA A 49 GLU HBx 1.0 1.739 3.367 506 506 A 49 GLU HA A 49 GLU HBy 1.0 1.705 3.223 507 507 A 49 GLU HBx A 49 GLU H 1.0 1.767 3.503 508 508 A 48 TRP HBy A 49 GLU HG3 1.0 1.781 3.569 509 509 A 49 GLU HA A 49 GLU HG3 1.0 1.699 3.195 510 510 A 49 GLU H A 49 GLU HG3 1.0 1.756 3.446 511 511 A 56 SER HA A 56 SER HBy 1.0 1.941 7.437 512 512 A 56 SER HA A 56 SER HBx 1.0 1.966 7.070 513 513 A 11 LYS H A 56 SER HBx 1.0 1.979 6.853 514 514 A 56 SER HBx A 50 SER H 1.0 1.963 4.943 515 515 A 53 ASP HA A 51 PRO HDy 1.0 1.233 11.723 516 516 A 53 ASP HA A 12 PRO HDx 1.0 1.866 8.204 517 517 A 25 ARG HBy A 28 GLU HGy 1.0 1.937 4.651 518 518 A 15 ILE H A 19 PRO HA 1.0 1.274 11.544 519 519 A 12 PRO HA A 49 GLU HBx 1.0 1.837 3.881 520 520 A 12 PRO HA A 52 GLY H 1.0 1.565 10.167 521 521 A 36 VAL HG2% A 20 ASN HA 1.0 1.773 3.533 522 522 A 53 ASP HA A 17 LEU HDx% 1.0 1.576 10.108 523 523 A 32 TYR H A 25 ARG HA 1.0 0.014 15.958 524 524 A 54 ASP H A 54 ASP HA 1.0 1.091 12.299 525 525 A 23 THR H A 25 ARG HA 1.0 0.000 29.879 526 526 A 33 TYR HBx A 42 GLN HE2x 1.0 1.674 3.096 527 527 A 30 LYS HA A 31 ILE HB 1.0 1.974 5.122 528 528 A 31 ILE HA A 31 ILE HB 1.0 1.570 2.718 529 529 A 43 TRP HBy A 43 TRP HA 1.0 1.728 3.322 530 530 A 43 TRP HBy A 43 TRP H 1.0 1.737 3.359 531 531 A 36 VAL HA A 36 VAL HG2% 1.0 1.545 2.641 532 532 A 19 PRO HA A 19 PRO HB3 1.0 1.999 6.179 533 533 A 51 PRO HA A 51 PRO HB3 1.0 1.652 3.010 534 534 A 12 PRO HA A 13 LYS H 1.0 1.634 2.946 535 535 A 15 ILE HA A 15 ILE HG2% 1.0 1.819 3.771 536 536 A 22 LYS HGy A 22 LYS HGx 1.0 1.634 2.942 537 537 A 22 LYS HBy A 22 LYS HGx 1.0 1.525 2.577 538 538 A 22 LYS HA A 22 LYS HGx 1.0 1.777 3.549 539 539 A 34 TYR H A 33 TYR H 1.0 1.888 4.218 540 540 A 41 THR H A 42 GLN H 1.0 1.979 5.215 541 541 A 34 TYR H A 22 LYS H 1.0 1.830 3.838 542 542 A 23 THR H A 22 LYS H 1.0 1.936 4.634 543 543 A 39 ARG H A 38 THR H 1.0 1.738 3.368 544 544 A 37 ILE H A 36 VAL H 1.0 1.797 3.653 545 545 A 42 GLN H A 33 TYR H 1.0 1.903 4.329 546 546 A 28 GLU H A 29 GLY H 1.0 1.582 2.762 547 547 A 36 VAL H A 35 HIS H 1.0 1.990 5.462 548 548 A 41 THR H A 40 GLN H 1.0 1.892 4.252 549 549 A 32 TYR H A 24 ALA H 1.0 1.786 3.600 550 550 A 39 ARG H A 37 ILE H 1.0 1.907 4.369 551 551 A 23 THR H A 24 ALA H 1.0 1.852 3.972 552 552 A 44 ASP H A 43 TRP H 1.0 1.768 3.508 553 553 A 42 GLN H A 44 ASP H 1.0 1.964 4.968 554 554 A 34 TYR H A 35 HIS H 1.0 1.960 4.918 555 555 A 39 ARG H A 40 GLN H 1.0 1.766 3.500 556 556 A 47 THR H A 48 TRP H 1.0 1.851 3.967 557 557 A 47 THR H A 49 GLU H 1.0 1.928 4.548 558 558 A 42 GLN HE2y A 42 GLN HE2x 1.0 1.602 2.828 559 559 A 21 TRP H A 22 LYS H 1.0 1.819 3.769 560 560 A 20 ASN HD2y A 20 ASN HD2x 1.0 1.538 2.616 561 561 A 42 GLN HE2x A 33 TYR H 1.0 1.675 3.103 562 562 A 42 GLN HE2x A 35 HIS H 1.0 1.921 4.489 563 563 A 34 TYR HA A 35 HIS H 1.0 1.712 3.252 564 564 A 41 THR HA A 42 GLN H 1.0 1.710 3.242 565 565 A 41 THR H A 41 THR HA 1.0 1.846 3.936 566 566 A 33 TYR HA A 24 ALA H 1.0 1.935 4.619 567 567 A 33 TYR HA A 33 TYR H 1.0 1.938 4.658 568 568 A 33 TYR HA A 32 TYR H 1.0 1.903 4.337 569 569 A 48 TRP HA A 49 GLU H 1.0 1.734 3.350 570 570 A 13 LYS HA A 13 LYS H 1.0 1.617 2.885 571 571 A 24 ALA HA A 24 ALA H 1.0 1.760 3.470 572 572 A 29 GLY H A 29 GLY HAy 1.0 1.626 2.914 573 573 A 38 THR H A 37 ILE HA 1.0 1.846 3.934 574 574 A 39 ARG HA A 40 GLN H 1.0 1.785 3.593 575 575 A 39 ARG H A 39 ARG HA 1.0 1.616 2.880 576 576 A 38 THR HA A 38 THR H 1.0 1.795 3.641 577 577 A 35 HIS HA A 35 HIS H 1.0 1.818 3.770 578 578 A 21 TRP H A 20 ASN HA 1.0 1.709 3.237 579 579 A 42 GLN H A 41 THR HB 1.0 1.845 3.929 580 580 A 41 THR H A 41 THR HB 1.0 1.746 3.404 581 581 A 35 HIS HA A 36 VAL H 1.0 1.581 2.759 582 582 A 52 GLY HA2 A 53 ASP H 1.0 1.635 2.947 583 583 A 52 GLY H A 52 GLY HA2 1.0 1.535 2.607 584 584 A 24 ALA H A 23 THR HB 1.0 1.726 3.312 585 585 A 23 THR H A 23 THR HB 1.0 1.951 4.793 586 586 A 10 SER HB2 A 11 LYS H 1.0 1.985 5.317 587 587 A 10 SER HB2 A 56 SER H 1.0 1.926 4.534 588 588 A 50 SER H A 50 SER HB2 1.0 1.645 2.985 589 589 A 51 PRO HDx A 49 GLU H 1.0 1.998 6.222 590 590 A 43 TRP HBx A 43 TRP H 1.0 1.788 3.608 591 591 A 48 TRP HBx A 48 TRP H 1.0 1.733 3.345 592 592 A 48 TRP HBx A 49 GLU H 1.0 1.824 3.802 593 593 A 48 TRP H A 48 TRP HBy 1.0 1.692 3.172 594 594 A 48 TRP HBy A 49 GLU H 1.0 1.830 3.840 595 595 A 25 ARG HD2 A 29 GLY H 1.0 1.846 3.932 596 596 A 33 TYR HBx A 34 TYR H 1.0 1.834 3.866 597 597 A 33 TYR HBx A 33 TYR H 1.0 1.846 3.930 598 598 A 33 TYR HBx A 42 GLN H 1.0 1.908 4.376 599 599 A 21 TRP HBy A 22 LYS H 1.0 1.696 3.184 600 600 A 20 ASN HBy A 36 VAL H 1.0 1.841 3.901 601 601 A 20 ASN HBy A 20 ASN H 1.0 1.811 3.729 602 602 A 37 ILE H A 20 ASN HBy 1.0 1.940 4.674 603 603 A 20 ASN HBy A 20 ASN HD2x 1.0 1.800 3.672 604 604 A 55 ALA H A 54 ASP HBx 1.0 1.905 4.353 605 605 A 54 ASP H A 54 ASP HBx 1.0 1.702 3.210 606 606 A 42 GLN HB3 A 43 TRP H 1.0 1.761 3.477 607 607 A 42 GLN H A 42 GLN HB3 1.0 1.721 3.291 608 608 A 42 GLN HE2x A 42 GLN HB3 1.0 1.743 3.391 609 609 A 42 GLN HE2y A 42 GLN HB3 1.0 1.637 2.957 610 610 A 32 TYR H A 32 TYR HB3 1.0 1.863 4.041 611 611 A 12 PRO HB3 A 13 LYS H 1.0 1.811 3.725 612 612 A 40 GLN HG2 A 40 GLN H 1.0 1.731 3.339 613 613 A 28 GLU H A 28 GLU HGy 1.0 1.509 2.529 614 614 A 29 GLY H A 28 GLU HGy 1.0 1.760 3.470 615 615 A 42 GLN H A 42 GLN HGy 1.0 1.770 3.516 616 616 A 52 GLY H A 51 PRO HB3 1.0 1.885 4.195 617 617 A 36 VAL HB A 36 VAL H 1.0 1.733 3.345 618 618 A 40 GLN HBy A 35 HIS H 1.0 1.889 4.227 619 619 A 51 PRO HG3 A 52 GLY H 1.0 1.804 3.690 620 620 A 20 ASN HBx A 20 ASN HD2x 1.0 1.822 3.796 621 621 A 41 THR H A 40 GLN HBy 1.0 1.727 3.317 622 622 A 20 ASN HBx A 20 ASN H 1.0 1.829 3.835 623 623 A 50 SER H A 12 PRO HGy 1.0 1.685 3.141 624 624 A 49 GLU HBy A 49 GLU H 1.0 1.626 2.916 625 625 A 15 ILE H A 15 ILE HB 1.0 1.613 2.867 626 626 A 13 LYS HB3 A 14 THR H 1.0 1.788 3.608 627 627 A 13 LYS HB3 A 13 LYS H 1.0 1.617 2.885 628 628 A 17 LEU H A 17 LEU HBx 1.0 1.586 2.776 629 629 A 31 ILE H A 31 ILE HB 1.0 1.647 2.991 630 630 A 24 ALA H A 31 ILE HG1x 1.0 1.832 3.852 631 631 A 22 LYS HBy A 22 LYS H 1.0 1.802 3.684 632 632 A 23 THR H A 22 LYS HBy 1.0 1.633 2.939 633 633 A 32 TYR H A 31 ILE HG1x 1.0 1.727 3.317 634 634 A 25 ARG HBx A 26 ASP H 1.0 1.786 3.598 635 635 A 25 ARG H A 25 ARG HBx 1.0 1.673 3.093 636 636 A 39 ARG H A 39 ARG HG2 1.0 1.770 3.516 637 637 A 15 ILE HG1x A 15 ILE H 1.0 1.703 3.215 638 638 A 15 ILE HG1x A 13 LYS H 1.0 1.799 3.661 639 639 A 15 ILE HG1x A 14 THR H 1.0 1.819 3.775 640 640 A 38 THR H A 39 ARG HG2 1.0 1.882 4.172 641 641 A 25 ARG HBy A 29 GLY H 1.0 1.754 3.442 642 642 A 55 ALA H A 55 ALA HB% 1.0 1.761 3.477 643 643 A 55 ALA HB% A 56 SER H 1.0 1.998 5.720 644 644 A 17 LEU H A 17 LEU HG 1.0 1.753 3.435 645 645 A 15 ILE H A 15 ILE HG1y 1.0 1.666 3.064 646 646 A 15 ILE HG1y A 13 LYS H 1.0 1.925 4.527 647 647 A 14 THR HG2% A 14 THR H 1.0 1.861 4.031 648 648 A 22 LYS HGy A 22 LYS H 1.0 1.770 3.518 649 649 A 48 TRP H A 31 ILE HG1y 1.0 1.790 3.614 650 650 A 31 ILE HG1y A 49 GLU H 1.0 1.927 4.551 651 651 A 32 TYR H A 31 ILE HG1y 1.0 1.808 3.712 652 652 A 23 THR H A 23 THR HG2% 1.0 1.598 2.818 653 653 A 17 LEU HDx% A 17 LEU H 1.0 1.570 2.720 654 654 A 16 VAL H A 16 VAL HG2% 1.0 1.621 2.897 655 655 A 37 ILE H A 37 ILE HG12 1.0 1.640 2.968 656 656 A 36 VAL HG2% A 36 VAL H 1.0 1.564 2.702 657 657 A 34 TYR H A 22 LYS HGx 1.0 1.875 4.123 658 658 A 36 VAL HG2% A 20 ASN HD2y 1.0 1.821 3.789 659 659 A 36 VAL HG2% A 20 ASN HD2x 1.0 1.823 3.799 660 660 A 39 ARG H A 37 ILE HG12 1.0 1.761 3.477 661 661 A 38 THR H A 37 ILE HG12 1.0 1.627 2.919 662 662 A 32 TYR H A 31 ILE HD1% 1.0 1.682 3.128 663 663 A 31 ILE HD1% A 33 TYR H 1.0 1.968 5.008 664 664 A 47 THR H A 31 ILE HD1% 1.0 1.775 3.543 665 665 A 47 THR H A 31 ILE HG1y 1.0 1.753 3.435 666 666 A 21 TRP H A 35 HIS H 1.0 1.870 4.096 667 667 A 56 SER H A 54 ASP HBx 1.0 1.999 5.905 668 668 A 34 TYR H A 34 TYR HA 1.0 1.864 4.046 669 669 A 49 GLU HA A 50 SER H 1.0 1.658 3.036 670 670 A 21 TRP H A 20 ASN HD2x 1.0 1.806 3.698 671 671 A 20 ASN HA A 20 ASN H 1.0 1.626 2.916 672 672 A 22 LYS HGx A 20 ASN H 1.0 1.999 5.753 673 673 A 42 GLN HE2y A 42 GLN HGy 1.0 1.798 3.660 674 674 A 22 LYS H A 36 VAL H 1.0 1.936 4.630 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 10 SER C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -98.0 -58.0 PHI 2 2 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 PRO N 1.0 124.0 152.0 PSI 3 3 A 11 LYS C A 12 PRO N A 12 PRO CA A 12 PRO C 1.0 -75.0 -57.0 PHI 4 4 A 12 PRO N A 12 PRO CA A 12 PRO C A 13 LYS N 1.0 135.0 159.0 PSI 5 5 A 12 PRO C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -127.0 -63.0 PHI 6 6 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 THR N 1.0 102.0 160.0 PSI 7 7 A 14 THR C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -106.0 -66.0 PHI 8 8 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 VAL N 1.0 111.0 143.0 PSI 9 9 A 15 ILE C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -107.0 -65.0 PHI 10 10 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 LEU N 1.0 112.0 148.0 PSI 11 11 A 16 VAL C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -96.0 -60.0 PHI 12 12 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 PRO N 1.0 111.0 157.0 PSI 13 13 A 21 TRP C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -148.0 -98.0 PHI 14 14 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 THR N 1.0 159.0 179.0 PSI 15 15 A 22 LYS C A 23 THR N A 23 THR CA A 23 THR C 1.0 -152.0 -116.0 PHI 16 16 A 23 THR N A 23 THR CA A 23 THR C A 24 ALA N 1.0 126.0 154.0 PSI 17 17 A 23 THR C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -153.0 -79.0 PHI 18 18 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 ARG N 1.0 139.0 173.0 PSI 19 19 A 24 ALA C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -139.0 -107.0 PHI 20 20 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 ASP N 1.0 124.0 138.0 PSI 21 21 A 26 ASP C A 27 PRO N A 27 PRO CA A 27 PRO C 1.0 -65.0 -49.0 PHI 22 22 A 27 PRO N A 27 PRO CA A 27 PRO C A 28 GLU N 1.0 -40.0 -16.0 PSI 23 23 A 27 PRO C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -94.0 -76.0 PHI 24 24 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 GLY N 1.0 -13.0 15.0 PSI 25 25 A 28 GLU C A 29 GLY N A 29 GLY CA A 29 GLY C 1.0 82.0 100.0 PHI 26 26 A 29 GLY N A 29 GLY CA A 29 GLY C A 30 LYS N 1.0 -14.0 10.0 PSI 27 27 A 29 GLY C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -115.0 -69.0 PHI 28 28 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 ILE N 1.0 118.0 152.0 PSI 29 29 A 30 LYS C A 31 ILE N A 31 ILE CA A 31 ILE C 1.0 -111.0 -79.0 PHI 30 30 A 31 ILE N A 31 ILE CA A 31 ILE C A 32 TYR N 1.0 124.0 150.0 PSI 31 31 A 31 ILE C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -150.0 -96.0 PHI 32 32 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 TYR N 1.0 148.0 182.0 PSI 33 33 A 32 TYR C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -136.0 -116.0 PHI 34 34 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 TYR N 1.0 141.0 155.0 PSI 35 35 A 33 TYR C A 34 TYR N A 34 TYR CA A 34 TYR C 1.0 -146.0 -114.0 PHI 36 36 A 34 TYR N A 34 TYR CA A 34 TYR C A 35 HIS N 1.0 116.0 144.0 PSI 37 37 A 34 TYR C A 35 HIS N A 35 HIS CA A 35 HIS C 1.0 -138.0 -102.0 PHI 38 38 A 35 HIS N A 35 HIS CA A 35 HIS C A 36 VAL N 1.0 116.0 148.0 PSI 39 39 A 35 HIS C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -65.0 -49.0 PHI 40 40 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 ILE N 1.0 -47.0 -27.0 PSI 41 41 A 36 VAL C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -80.0 -58.0 PHI 42 42 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 THR N 1.0 -49.0 -19.0 PSI 43 43 A 37 ILE C A 38 THR N A 38 THR CA A 38 THR C 1.0 -108.0 -68.0 PHI 44 44 A 38 THR N A 38 THR CA A 38 THR C A 39 ARG N 1.0 -25.0 17.0 PSI 45 45 A 38 THR C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 50.0 66.0 PHI 46 46 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 GLN N 1.0 11.0 41.0 PSI 47 47 A 39 ARG C A 40 GLN N A 40 GLN CA A 40 GLN C 1.0 -108.0 -66.0 PHI 48 48 A 40 GLN N A 40 GLN CA A 40 GLN C A 41 THR N 1.0 133.0 153.0 PSI 49 49 A 40 GLN C A 41 THR N A 41 THR CA A 41 THR C 1.0 -142.0 -110.0 PHI 50 50 A 41 THR N A 41 THR CA A 41 THR C A 42 GLN N 1.0 146.0 172.0 PSI 51 51 A 41 THR C A 42 GLN N A 42 GLN CA A 42 GLN C 1.0 -169.0 -105.0 PHI 52 52 A 42 GLN N A 42 GLN CA A 42 GLN C A 43 TRP N 1.0 149.0 171.0 PSI stop_ save_