data_nef_c30310_5w8z 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5W8Z 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 MET start . . 2 A 2 LYS middle . . 3 A 3 LYS middle . . 4 A 4 ILE middle . . 5 A 5 PRO middle . false 6 A 6 LEU middle . . 7 A 7 SER middle . . 8 A 8 LYS middle . . 9 A 9 TYR middle . . 10 A 10 LEU middle . . 11 A 11 GLU middle . . 12 A 12 GLU middle . . 13 A 13 HIS middle . . 14 A 14 GLY middle . false 15 A 15 THR middle . . 16 A 16 GLN middle . . 17 A 17 SER middle . . 18 A 18 ALA middle . . 19 A 19 LEU middle . . 20 A 20 ALA middle . . 21 A 21 ALA middle . . 22 A 22 ALA middle . . 23 A 23 LEU middle . . 24 A 24 GLY middle . false 25 A 25 VAL middle . . 26 A 26 ASN middle . . 27 A 27 GLN middle . . 28 A 28 SER middle . . 29 A 29 ALA middle . . 30 A 30 ILE middle . . 31 A 31 SER middle . . 32 A 32 GLN middle . . 33 A 33 MET middle . . 34 A 34 VAL middle . . 35 A 35 ARG middle . . 36 A 36 ALA middle . . 37 A 37 GLY middle . false 38 A 38 ARG middle . . 39 A 39 CYS middle . . 40 A 40 ILE middle . . 41 A 41 ASP middle . . 42 A 42 ILE middle . . 43 A 43 GLU middle . . 44 A 44 LEU middle . . 45 A 45 TYR middle . . 46 A 46 THR middle . . 47 A 47 ASP middle . . 48 A 48 GLY middle . false 49 A 49 ARG middle . . 50 A 50 VAL middle . . 51 A 51 GLU middle . . 52 A 52 CYS middle . . 53 A 53 ARG middle . . 54 A 54 GLU middle . . 55 A 55 LEU middle . . 56 A 56 ARG middle . . 57 A 57 PRO middle . false 58 A 58 ASP middle . . 59 A 59 VAL middle . . 60 A 60 PHE middle . . 61 A 61 GLY middle . false 62 A 62 ALA middle . . 63 A 63 LEU middle . . 64 A 64 GLU middle . . 65 A 65 HIS middle . . 66 A 66 HIS middle . . 67 A 67 HIS middle . . 68 A 68 HIS middle . . 69 A 69 HIS middle . . 70 A 70 HIS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 1 MET HA H 1 3.833 0.026 A 1 MET HBx H 1 1.738 0.000 A 1 MET HBy H 1 1.738 0.000 A 1 MET HE% H 1 1.828 0.004 A 1 MET C C 13 173.676 0.000 A 1 MET CA C 13 55.252 0.060 A 1 MET CB C 13 33.415 0.014 A 1 MET CE C 13 17.276 0.049 A 2 LYS H H 1 8.392 0.006 A 2 LYS HA H 1 4.562 0.010 A 2 LYS HBy H 1 1.730 0.012 A 2 LYS HBx H 1 1.643 0.009 A 2 LYS HDx H 1 1.655 0.000 A 2 LYS HDy H 1 1.655 0.000 A 2 LYS HEx H 1 2.930 0.002 A 2 LYS HEy H 1 2.930 0.002 A 2 LYS HGx H 1 1.367 0.018 A 2 LYS HGy H 1 1.367 0.018 A 2 LYS C C 13 173.779 0.000 A 2 LYS CA C 13 55.014 0.062 A 2 LYS CB C 13 35.701 0.073 A 2 LYS CE C 13 41.928 0.000 A 2 LYS CG C 13 24.765 0.048 A 2 LYS N N 15 125.405 0.030 A 3 LYS H H 1 8.492 0.003 A 3 LYS HA H 1 5.120 0.012 A 3 LYS HBy H 1 1.590 0.002 A 3 LYS HBx H 1 1.542 0.003 A 3 LYS HDx H 1 1.627 0.007 A 3 LYS HDy H 1 1.627 0.007 A 3 LYS HEx H 1 2.892 0.007 A 3 LYS HEy H 1 2.892 0.007 A 3 LYS HGy H 1 1.340 0.011 A 3 LYS HGx H 1 1.143 0.010 A 3 LYS C C 13 176.170 0.000 A 3 LYS CA C 13 55.255 0.054 A 3 LYS CB C 13 34.033 0.082 A 3 LYS CD C 13 29.590 0.018 A 3 LYS CE C 13 41.847 0.025 A 3 LYS CG C 13 25.965 0.022 A 3 LYS N N 15 124.250 0.024 A 4 ILE H H 1 9.228 0.004 A 4 ILE HA H 1 4.863 0.014 A 4 ILE HB H 1 1.819 0.006 A 4 ILE HD1% H 1 0.650 0.012 A 4 ILE HG1y H 1 1.424 0.003 A 4 ILE HG1x H 1 1.070 0.012 A 4 ILE HG2% H 1 0.967 0.005 A 4 ILE CA C 13 57.302 0.016 A 4 ILE CB C 13 41.442 0.053 A 4 ILE CD1 C 13 14.126 0.053 A 4 ILE CG1 C 13 26.288 0.059 A 4 ILE CG2 C 13 17.614 0.055 A 4 ILE N N 15 123.950 0.025 A 5 PRO HA H 1 5.066 0.006 A 5 PRO HBx H 1 1.922 0.010 A 5 PRO HBy H 1 2.583 0.008 A 5 PRO HDx H 1 3.624 0.006 A 5 PRO HDy H 1 3.967 0.005 A 5 PRO HGx H 1 2.129 0.004 A 5 PRO HGy H 1 2.129 0.004 A 5 PRO C C 13 178.050 0.000 A 5 PRO CA C 13 63.111 0.058 A 5 PRO CB C 13 32.874 0.081 A 5 PRO CD C 13 51.166 0.016 A 5 PRO CG C 13 28.162 0.000 A 6 LEU H H 1 8.942 0.005 A 6 LEU HA H 1 4.009 0.009 A 6 LEU HBy H 1 2.048 0.010 A 6 LEU HBx H 1 1.497 0.007 A 6 LEU HD1% H 1 0.804 0.005 A 6 LEU HD2% H 1 0.854 0.009 A 6 LEU HG H 1 1.567 0.000 A 6 LEU C C 13 177.589 0.000 A 6 LEU CA C 13 59.082 0.056 A 6 LEU CB C 13 42.165 0.084 A 6 LEU CD1 C 13 24.310 0.008 A 6 LEU CD2 C 13 26.554 0.059 A 6 LEU N N 15 125.669 0.055 A 7 SER H H 1 8.884 0.004 A 7 SER HA H 1 4.055 0.006 A 7 SER HBx H 1 3.937 0.002 A 7 SER HBy H 1 3.937 0.002 A 7 SER C C 13 176.665 0.000 A 7 SER CA C 13 61.657 0.092 A 7 SER CB C 13 61.735 0.000 A 7 SER N N 15 111.109 0.029 A 8 LYS H H 1 7.050 0.004 A 8 LYS HA H 1 4.353 0.009 A 8 LYS HBx H 1 2.019 0.015 A 8 LYS HBy H 1 2.019 0.015 A 8 LYS HDx H 1 1.769 0.002 A 8 LYS HDy H 1 1.769 0.002 A 8 LYS HEx H 1 3.016 0.004 A 8 LYS HEy H 1 3.016 0.004 A 8 LYS HGx H 1 1.564 0.010 A 8 LYS HGy H 1 1.564 0.010 A 8 LYS C C 13 178.670 0.000 A 8 LYS CA C 13 57.589 0.030 A 8 LYS CB C 13 32.068 0.082 A 8 LYS CE C 13 41.638 0.047 A 8 LYS N N 15 122.654 0.040 A 9 TYR H H 1 8.735 0.004 A 9 TYR HA H 1 3.963 0.014 A 9 TYR HBx H 1 2.755 0.014 A 9 TYR HBy H 1 3.411 0.009 A 9 TYR HDx H 1 6.710 0.007 A 9 TYR HDy H 1 6.710 0.007 A 9 TYR HEx H 1 6.576 0.009 A 9 TYR HEy H 1 6.576 0.009 A 9 TYR C C 13 178.041 0.000 A 9 TYR CA C 13 62.736 0.052 A 9 TYR CB C 13 38.346 0.064 A 9 TYR N N 15 122.745 0.036 A 10 LEU H H 1 8.256 0.004 A 10 LEU HA H 1 4.791 0.006 A 10 LEU HBy H 1 1.917 0.011 A 10 LEU HBx H 1 1.614 0.012 A 10 LEU HD1% H 1 0.922 0.007 A 10 LEU HD2% H 1 0.949 0.005 A 10 LEU HG H 1 2.015 0.011 A 10 LEU C C 13 178.109 0.000 A 10 LEU CA C 13 56.008 0.019 A 10 LEU CB C 13 41.442 0.061 A 10 LEU CD1 C 13 26.667 0.036 A 10 LEU CD2 C 13 22.765 0.042 A 10 LEU CG C 13 27.318 0.000 A 10 LEU N N 15 118.029 0.026 A 11 GLU H H 1 7.532 0.006 A 11 GLU HA H 1 4.225 0.007 A 11 GLU HBy H 1 2.231 0.015 A 11 GLU HBx H 1 2.118 0.013 A 11 GLU HGx H 1 2.497 0.011 A 11 GLU HGy H 1 2.497 0.011 A 11 GLU C C 13 178.336 0.000 A 11 GLU CA C 13 58.429 0.067 A 11 GLU CB C 13 31.271 0.070 A 11 GLU N N 15 117.173 0.017 A 12 GLU H H 1 7.809 0.002 A 12 GLU HA H 1 4.386 0.010 A 12 GLU HBx H 1 1.680 0.009 A 12 GLU HBy H 1 1.680 0.009 A 12 GLU HGx H 1 2.050 0.000 A 12 GLU HGy H 1 2.050 0.000 A 12 GLU C C 13 176.312 0.000 A 12 GLU CA C 13 56.963 0.047 A 12 GLU CB C 13 32.744 0.088 A 12 GLU N N 15 113.644 0.017 A 13 HIS H H 1 8.402 0.003 A 13 HIS HA H 1 4.494 0.014 A 13 HIS HBx H 1 2.095 0.010 A 13 HIS HBy H 1 2.500 0.018 A 13 HIS HD2 H 1 6.689 0.009 A 13 HIS HE1 H 1 7.715 0.003 A 13 HIS C C 13 175.284 0.000 A 13 HIS CA C 13 57.503 0.058 A 13 HIS CB C 13 32.037 0.022 A 13 HIS CD2 C 13 120.704 0.000 A 13 HIS CE1 C 13 137.999 0.000 A 13 HIS N N 15 117.223 0.032 A 14 GLY H H 1 7.666 0.005 A 14 GLY HAy H 1 4.242 0.012 A 14 GLY HAx H 1 3.846 0.009 A 14 GLY C C 13 171.152 0.000 A 14 GLY CA C 13 45.700 0.034 A 14 GLY N N 15 108.066 0.020 A 15 THR H H 1 7.392 0.003 A 15 THR HA H 1 4.762 0.008 A 15 THR HB H 1 4.746 0.006 A 15 THR HG2% H 1 1.337 0.009 A 15 THR C C 13 175.749 0.000 A 15 THR CA C 13 59.920 0.038 A 15 THR CB C 13 72.072 0.056 A 15 THR CG2 C 13 21.945 0.038 A 15 THR N N 15 106.178 0.020 A 16 GLN H H 1 9.185 0.006 A 16 GLN HA H 1 3.901 0.009 A 16 GLN HBx H 1 2.167 0.014 A 16 GLN HBy H 1 2.167 0.014 A 16 GLN HE2y H 1 7.433 0.001 A 16 GLN HE2x H 1 6.963 0.002 A 16 GLN HGy H 1 2.614 0.005 A 16 GLN HGx H 1 2.233 0.006 A 16 GLN C C 13 178.146 0.000 A 16 GLN CA C 13 60.562 0.052 A 16 GLN CB C 13 28.901 0.103 A 16 GLN CG C 13 35.329 0.036 A 16 GLN N N 15 120.069 0.022 A 16 GLN NE2 N 15 109.739 0.028 A 17 SER H H 1 8.447 0.004 A 17 SER HA H 1 4.071 0.009 A 17 SER HBx H 1 3.900 0.006 A 17 SER HBy H 1 3.900 0.006 A 17 SER C C 13 177.102 0.000 A 17 SER CA C 13 61.376 0.129 A 17 SER CB C 13 62.364 0.041 A 17 SER N N 15 113.080 0.039 A 18 ALA H H 1 7.900 0.005 A 18 ALA HA H 1 4.231 0.007 A 18 ALA HB% H 1 1.604 0.006 A 18 ALA C C 13 180.840 0.000 A 18 ALA CA C 13 55.012 0.025 A 18 ALA CB C 13 18.577 0.061 A 18 ALA N N 15 126.889 0.028 A 19 LEU H H 1 8.465 0.002 A 19 LEU HA H 1 4.069 0.010 A 19 LEU HBy H 1 1.782 0.013 A 19 LEU HBx H 1 1.643 0.005 A 19 LEU HD1% H 1 0.391 0.006 A 19 LEU HD2% H 1 0.582 0.003 A 19 LEU HG H 1 1.332 0.004 A 19 LEU CA C 13 57.469 0.035 A 19 LEU CB C 13 41.100 0.039 A 19 LEU CD1 C 13 22.155 0.046 A 19 LEU CD2 C 13 26.251 0.052 A 19 LEU N N 15 121.519 0.026 A 20 ALA H H 1 8.259 0.003 A 20 ALA HA H 1 3.774 0.011 A 20 ALA HB% H 1 1.523 0.006 A 20 ALA C C 13 179.461 0.000 A 20 ALA CA C 13 55.554 0.064 A 20 ALA CB C 13 17.565 0.076 A 20 ALA N N 15 120.533 0.030 A 21 ALA H H 1 7.664 0.004 A 21 ALA HA H 1 4.200 0.004 A 21 ALA HB% H 1 1.527 0.001 A 21 ALA C C 13 180.388 0.000 A 21 ALA CA C 13 54.626 0.068 A 21 ALA CB C 13 18.080 0.065 A 21 ALA N N 15 118.290 0.050 A 22 ALA H H 1 8.014 0.003 A 22 ALA HA H 1 4.168 0.003 A 22 ALA HB% H 1 1.536 0.007 A 22 ALA C C 13 179.732 0.000 A 22 ALA CA C 13 54.744 0.028 A 22 ALA CB C 13 18.516 0.048 A 22 ALA N N 15 121.067 0.027 A 23 LEU H H 1 8.094 0.004 A 23 LEU HA H 1 4.341 0.010 A 23 LEU HBy H 1 1.762 0.011 A 23 LEU HBx H 1 1.461 0.016 A 23 LEU HD1% H 1 0.646 0.005 A 23 LEU HD2% H 1 0.750 0.005 A 23 LEU HG H 1 1.333 0.000 A 23 LEU C C 13 177.466 0.000 A 23 LEU CA C 13 54.931 0.062 A 23 LEU CB C 13 43.918 0.048 A 23 LEU CD1 C 13 26.844 0.043 A 23 LEU CD2 C 13 23.153 0.037 A 23 LEU N N 15 114.607 0.021 A 24 GLY H H 1 8.027 0.003 A 24 GLY HAy H 1 4.005 0.005 A 24 GLY HAx H 1 3.917 0.002 A 24 GLY C C 13 174.933 0.000 A 24 GLY CA C 13 46.599 0.051 A 24 GLY N N 15 108.885 0.026 A 25 VAL H H 1 7.871 0.003 A 25 VAL HA H 1 4.716 0.007 A 25 VAL HB H 1 2.209 0.010 A 25 VAL HG1% H 1 0.787 0.006 A 25 VAL HG2% H 1 0.747 0.006 A 25 VAL C C 13 174.304 0.000 A 25 VAL CA C 13 58.365 0.025 A 25 VAL CB C 13 35.044 0.085 A 25 VAL CG1 C 13 21.718 0.049 A 25 VAL CG2 C 13 19.238 0.037 A 25 VAL N N 15 111.397 0.020 A 26 ASN H H 1 8.518 0.002 A 26 ASN HA H 1 4.670 0.009 A 26 ASN HBx H 1 2.852 0.009 A 26 ASN HBy H 1 2.852 0.009 A 26 ASN HD2y H 1 7.812 0.002 A 26 ASN HD2x H 1 7.090 0.002 A 26 ASN C C 13 176.256 0.000 A 26 ASN CA C 13 53.236 0.042 A 26 ASN CB C 13 39.398 0.044 A 26 ASN N N 15 119.061 0.034 A 26 ASN ND2 N 15 114.140 0.020 A 27 GLN H H 1 9.252 0.002 A 27 GLN HA H 1 3.788 0.008 A 27 GLN HE2y H 1 7.611 0.002 A 27 GLN HE2x H 1 6.988 0.003 A 27 GLN HGy H 1 2.370 0.006 A 27 GLN HGx H 1 2.135 0.009 A 27 GLN C C 13 177.827 0.000 A 27 GLN CA C 13 60.266 0.055 A 27 GLN CB C 13 28.259 0.040 A 27 GLN N N 15 124.036 0.014 A 27 GLN NE2 N 15 112.140 0.009 A 28 SER H H 1 8.879 0.002 A 28 SER HA H 1 4.216 0.008 A 28 SER HBx H 1 3.933 0.001 A 28 SER HBy H 1 3.933 0.001 A 28 SER C C 13 176.312 0.000 A 28 SER CA C 13 60.878 0.116 A 28 SER CB C 13 62.260 0.054 A 28 SER N N 15 114.960 0.022 A 29 ALA H H 1 7.717 0.004 A 29 ALA HA H 1 4.177 0.007 A 29 ALA HB% H 1 1.478 0.010 A 29 ALA C C 13 180.200 0.000 A 29 ALA CA C 13 54.833 0.036 A 29 ALA CB C 13 18.307 0.074 A 29 ALA N N 15 124.697 0.019 A 30 ILE H H 1 7.178 0.005 A 30 ILE HA H 1 3.696 0.011 A 30 ILE HB H 1 2.220 0.006 A 30 ILE HD1% H 1 0.704 0.013 A 30 ILE HG1y H 1 1.527 0.007 A 30 ILE HG1x H 1 1.256 0.009 A 30 ILE HG2% H 1 0.939 0.009 A 30 ILE C C 13 177.682 0.000 A 30 ILE CA C 13 63.473 0.073 A 30 ILE CB C 13 36.818 0.053 A 30 ILE CD1 C 13 12.004 0.041 A 30 ILE CG1 C 13 28.447 0.010 A 30 ILE CG2 C 13 18.538 0.058 A 30 ILE N N 15 116.432 0.020 A 31 SER H H 1 8.215 0.005 A 31 SER HA H 1 4.109 0.016 A 31 SER HBx H 1 3.992 0.011 A 31 SER HBy H 1 3.992 0.011 A 31 SER C C 13 177.281 0.000 A 31 SER CA C 13 61.535 0.098 A 31 SER CB C 13 62.698 0.076 A 31 SER N N 15 115.016 0.041 A 32 GLN H H 1 8.039 0.004 A 32 GLN HA H 1 4.034 0.009 A 32 GLN HBx H 1 2.165 0.005 A 32 GLN HBy H 1 2.165 0.005 A 32 GLN HE2y H 1 7.449 0.000 A 32 GLN HE2x H 1 6.883 0.000 A 32 GLN HGy H 1 2.513 0.000 A 32 GLN HGx H 1 2.441 0.000 A 32 GLN C C 13 178.447 0.000 A 32 GLN CA C 13 59.069 0.061 A 32 GLN CB C 13 28.443 0.054 A 32 GLN N N 15 119.150 0.026 A 32 GLN NE2 N 15 111.704 0.000 A 33 MET H H 1 7.471 0.005 A 33 MET HA H 1 4.153 0.016 A 33 MET HBy H 1 2.346 0.003 A 33 MET HBx H 1 1.909 0.017 A 33 MET HE% H 1 1.979 0.004 A 33 MET HGy H 1 2.687 0.012 A 33 MET HGx H 1 2.624 0.005 A 33 MET C C 13 178.332 0.000 A 33 MET CA C 13 58.681 0.071 A 33 MET CB C 13 33.063 0.120 A 33 MET CE C 13 18.019 0.048 A 33 MET CG C 13 32.916 0.052 A 33 MET N N 15 118.708 0.021 A 34 VAL H H 1 8.085 0.005 A 34 VAL HA H 1 3.704 0.006 A 34 VAL HB H 1 2.174 0.008 A 34 VAL HG1% H 1 0.937 0.005 A 34 VAL HG2% H 1 0.999 0.005 A 34 VAL CA C 13 66.082 0.093 A 34 VAL CB C 13 32.050 0.101 A 34 VAL CG1 C 13 21.162 0.034 A 34 VAL CG2 C 13 23.052 0.044 A 34 VAL N N 15 119.694 0.034 A 35 ARG H H 1 8.257 0.002 A 35 ARG HA H 1 4.088 0.011 A 35 ARG HBx H 1 1.888 0.000 A 35 ARG HBy H 1 1.888 0.000 A 35 ARG C C 13 177.525 0.000 A 35 ARG CA C 13 58.650 0.068 A 35 ARG CB C 13 30.274 0.115 A 35 ARG N N 15 120.522 0.024 A 36 ALA H H 1 7.671 0.005 A 36 ALA HA H 1 4.310 0.005 A 36 ALA HB% H 1 1.522 0.002 A 36 ALA C C 13 178.354 0.000 A 36 ALA CA C 13 52.809 0.038 A 36 ALA CB C 13 19.231 0.063 A 36 ALA N N 15 118.932 0.035 A 37 GLY H H 1 7.877 0.004 A 37 GLY HAy H 1 3.960 0.001 A 37 GLY HAx H 1 3.885 0.000 A 37 GLY C C 13 174.710 0.000 A 37 GLY CA C 13 46.245 0.047 A 37 GLY N N 15 106.927 0.032 A 38 ARG H H 1 7.610 0.004 A 38 ARG HA H 1 4.253 0.006 A 38 ARG HBx H 1 1.700 0.010 A 38 ARG HBy H 1 1.700 0.010 A 38 ARG HDx H 1 3.203 0.000 A 38 ARG HDy H 1 3.203 0.000 A 38 ARG C C 13 175.787 0.000 A 38 ARG CA C 13 55.623 0.033 A 38 ARG CB C 13 30.983 0.102 A 38 ARG N N 15 118.429 0.039 A 39 CYS H H 1 8.799 0.002 A 39 CYS HA H 1 4.553 0.008 A 39 CYS HBy H 1 2.912 0.005 A 39 CYS HBx H 1 2.844 0.003 A 39 CYS C C 13 173.958 0.000 A 39 CYS CA C 13 59.109 0.004 A 39 CYS CB C 13 26.682 0.051 A 39 CYS N N 15 124.028 0.035 A 40 ILE H H 1 7.656 0.005 A 40 ILE HA H 1 4.380 0.007 A 40 ILE HB H 1 1.713 0.010 A 40 ILE HD1% H 1 0.750 0.004 A 40 ILE HG1y H 1 1.340 0.007 A 40 ILE HG1x H 1 1.023 0.006 A 40 ILE HG2% H 1 0.756 0.007 A 40 ILE C C 13 173.718 0.000 A 40 ILE CA C 13 59.329 0.056 A 40 ILE CB C 13 40.801 0.100 A 40 ILE CD1 C 13 13.656 0.043 A 40 ILE CG1 C 13 26.880 0.007 A 40 ILE CG2 C 13 18.457 0.038 A 40 ILE N N 15 124.679 0.028 A 41 ASP H H 1 8.702 0.003 A 41 ASP HA H 1 5.158 0.011 A 41 ASP HBy H 1 2.444 0.007 A 41 ASP HBx H 1 2.131 0.009 A 41 ASP C C 13 175.166 0.000 A 41 ASP CA C 13 53.847 0.026 A 41 ASP CB C 13 43.468 0.060 A 41 ASP N N 15 124.812 0.038 A 42 ILE H H 1 9.371 0.006 A 42 ILE HA H 1 4.367 0.010 A 42 ILE HB H 1 1.971 0.008 A 42 ILE HD1% H 1 0.591 0.008 A 42 ILE HG1y H 1 1.360 0.004 A 42 ILE HG1x H 1 0.984 0.004 A 42 ILE HG2% H 1 0.557 0.004 A 42 ILE C C 13 174.801 0.000 A 42 ILE CA C 13 58.243 0.044 A 42 ILE CB C 13 37.787 0.044 A 42 ILE CD1 C 13 11.381 0.041 A 42 ILE CG2 C 13 18.490 0.053 A 42 ILE N N 15 122.624 0.040 A 43 GLU H H 1 8.851 0.003 A 43 GLU HA H 1 4.563 0.007 A 43 GLU HBy H 1 2.050 0.000 A 43 GLU HBx H 1 1.597 0.010 A 43 GLU C C 13 174.150 0.000 A 43 GLU CA C 13 55.402 0.017 A 43 GLU CB C 13 31.547 0.045 A 43 GLU N N 15 124.667 0.043 A 44 LEU H H 1 8.763 0.003 A 44 LEU HA H 1 5.047 0.007 A 44 LEU HBy H 1 1.686 0.014 A 44 LEU HBx H 1 1.324 0.010 A 44 LEU HD1% H 1 0.821 0.004 A 44 LEU HD2% H 1 0.756 0.006 A 44 LEU HG H 1 1.498 0.001 A 44 LEU C C 13 176.764 0.000 A 44 LEU CA C 13 53.809 0.031 A 44 LEU CB C 13 44.112 0.089 A 44 LEU CD1 C 13 25.154 0.045 A 44 LEU CD2 C 13 25.953 0.076 A 44 LEU N N 15 123.476 0.039 A 45 TYR H H 1 8.812 0.004 A 45 TYR HA H 1 4.577 0.011 A 45 TYR HBx H 1 3.093 0.008 A 45 TYR HBy H 1 3.279 0.009 A 45 TYR HDx H 1 7.176 0.006 A 45 TYR HDy H 1 7.176 0.006 A 45 TYR HEx H 1 6.681 0.007 A 45 TYR HEy H 1 6.681 0.007 A 45 TYR CA C 13 58.455 0.004 A 45 TYR CB C 13 40.392 0.082 A 45 TYR N N 15 126.319 0.009 A 46 THR HA H 1 4.041 0.006 A 46 THR HB H 1 4.350 0.006 A 46 THR HG2% H 1 1.360 0.005 A 46 THR C C 13 174.958 0.000 A 46 THR CA C 13 65.516 0.072 A 46 THR CB C 13 68.912 0.047 A 46 THR CG2 C 13 22.285 0.000 A 47 ASP H H 1 8.133 0.005 A 47 ASP HA H 1 4.524 0.006 A 47 ASP HBy H 1 3.056 0.011 A 47 ASP HBx H 1 2.637 0.006 A 47 ASP C C 13 176.905 0.000 A 47 ASP CA C 13 53.698 0.053 A 47 ASP CB C 13 40.029 0.052 A 47 ASP N N 15 118.643 0.025 A 48 GLY H H 1 8.093 0.004 A 48 GLY HAy H 1 4.405 0.006 A 48 GLY HAx H 1 3.669 0.005 A 48 GLY C C 13 174.614 0.000 A 48 GLY CA C 13 44.943 0.043 A 48 GLY N N 15 108.033 0.034 A 49 ARG H H 1 7.867 0.001 A 49 ARG HA H 1 4.253 0.007 A 49 ARG HBy H 1 1.856 0.003 A 49 ARG HBx H 1 1.624 0.012 A 49 ARG HDx H 1 3.014 0.017 A 49 ARG HDy H 1 3.014 0.017 A 49 ARG HE H 1 7.947 0.001 A 49 ARG HGx H 1 1.552 0.000 A 49 ARG HGy H 1 1.552 0.000 A 49 ARG C C 13 174.991 0.000 A 49 ARG CA C 13 57.536 0.036 A 49 ARG CB C 13 31.088 0.067 A 49 ARG N N 15 121.801 0.034 A 49 ARG NE N 15 85.37 0.003 A 50 VAL H H 1 8.047 0.003 A 50 VAL HA H 1 5.425 0.011 A 50 VAL HB H 1 1.717 0.008 A 50 VAL HG1% H 1 0.751 0.005 A 50 VAL HG2% H 1 0.853 0.005 A 50 VAL C C 13 175.105 0.000 A 50 VAL CA C 13 59.901 0.024 A 50 VAL CB C 13 35.159 0.087 A 50 VAL CG1 C 13 22.347 0.047 A 50 VAL CG2 C 13 20.618 0.055 A 50 VAL N N 15 119.779 0.038 A 51 GLU H H 1 8.980 0.005 A 51 GLU HA H 1 4.664 0.008 A 51 GLU HBy H 1 2.123 0.008 A 51 GLU HBx H 1 2.007 0.006 A 51 GLU C C 13 174.809 0.000 A 51 GLU CA C 13 54.490 0.040 A 51 GLU CB C 13 34.637 0.086 A 51 GLU N N 15 121.104 0.030 A 52 CYS H H 1 9.097 0.004 A 52 CYS HA H 1 4.682 0.008 A 52 CYS HBy H 1 2.900 0.010 A 52 CYS HBx H 1 2.521 0.009 A 52 CYS CA C 13 59.054 0.008 A 52 CYS CB C 13 28.333 0.054 A 52 CYS N N 15 121.640 0.026 A 53 ARG H H 1 9.581 0.004 A 53 ARG HA H 1 4.066 0.012 A 53 ARG HBx H 1 1.827 0.000 A 53 ARG HBy H 1 1.827 0.000 A 53 ARG C C 13 177.491 0.000 A 53 ARG CA C 13 58.963 0.045 A 53 ARG CB C 13 29.837 0.052 A 53 ARG N N 15 130.399 0.048 A 54 GLU H H 1 8.511 0.003 A 54 GLU HA H 1 4.166 0.012 A 54 GLU HBy H 1 2.045 0.007 A 54 GLU HBx H 1 1.944 0.002 A 54 GLU HGy H 1 2.354 0.007 A 54 GLU HGx H 1 2.262 0.004 A 54 GLU C C 13 176.256 0.000 A 54 GLU CA C 13 58.463 0.014 A 54 GLU CB C 13 30.032 0.123 A 54 GLU CG C 13 37.332 0.006 A 54 GLU N N 15 117.141 0.022 A 55 LEU H H 1 7.328 0.007 A 55 LEU HA H 1 4.438 0.014 A 55 LEU HBx H 1 1.527 0.012 A 55 LEU HBy H 1 1.527 0.012 A 55 LEU HD1% H 1 0.777 0.008 A 55 LEU HD2% H 1 0.785 0.007 A 55 LEU HG H 1 1.513 0.000 A 55 LEU C C 13 175.388 0.000 A 55 LEU CA C 13 54.347 0.023 A 55 LEU CB C 13 43.562 0.099 A 55 LEU CD1 C 13 26.119 0.031 A 55 LEU CD2 C 13 24.307 0.039 A 55 LEU CG C 13 27.421 0.000 A 55 LEU N N 15 118.521 0.025 A 56 ARG H H 1 7.825 0.004 A 56 ARG HA H 1 4.699 0.013 A 56 ARG HBy H 1 1.945 0.005 A 56 ARG HBx H 1 1.785 0.003 A 56 ARG HDx H 1 3.243 0.008 A 56 ARG HDy H 1 3.243 0.008 A 56 ARG HE H 1 7.740 0.002 A 56 ARG HGx H 1 1.712 0.000 A 56 ARG HGy H 1 1.712 0.000 A 56 ARG CA C 13 53.663 0.067 A 56 ARG CB C 13 30.622 0.008 A 56 ARG N N 15 120.441 0.027 A 56 ARG NE N 15 84.85 0.033 A 57 PRO HA H 1 4.421 0.006 A 57 PRO HBy H 1 2.335 0.007 A 57 PRO HBx H 1 1.952 0.008 A 57 PRO HDx H 1 3.726 0.004 A 57 PRO HDy H 1 3.726 0.004 A 57 PRO HGx H 1 2.057 0.004 A 57 PRO HGy H 1 2.057 0.004 A 57 PRO C C 13 176.984 0.000 A 57 PRO CA C 13 64.055 0.074 A 57 PRO CB C 13 32.157 0.084 A 57 PRO CD C 13 50.792 0.025 A 57 PRO CG C 13 27.528 0.048 A 58 ASP H H 1 8.566 0.006 A 58 ASP HA H 1 4.507 0.005 A 58 ASP HBx H 1 2.658 0.007 A 58 ASP HBy H 1 2.658 0.007 A 58 ASP C C 13 176.474 0.000 A 58 ASP CA C 13 54.570 0.044 A 58 ASP CB C 13 40.510 0.053 A 58 ASP N N 15 118.460 0.019 A 59 VAL H H 1 7.759 0.006 A 59 VAL HA H 1 4.005 0.008 A 59 VAL HB H 1 1.971 0.007 A 59 VAL HG1% H 1 0.697 0.005 A 59 VAL HG2% H 1 0.784 0.006 A 59 VAL C C 13 176.167 0.000 A 59 VAL CA C 13 62.861 0.032 A 59 VAL CB C 13 32.806 0.085 A 59 VAL CG1 C 13 21.150 0.034 A 59 VAL CG2 C 13 20.674 0.038 A 59 VAL N N 15 118.811 0.024 A 60 PHE H H 1 8.185 0.006 A 60 PHE HA H 1 4.566 0.011 A 60 PHE HBy H 1 3.177 0.010 A 60 PHE HBx H 1 2.987 0.005 A 60 PHE HDx H 1 7.272 0.014 A 60 PHE HDy H 1 7.272 0.014 A 60 PHE C C 13 176.441 0.000 A 60 PHE CA C 13 58.456 0.036 A 60 PHE CB C 13 39.602 0.042 A 60 PHE N N 15 121.644 0.023 A 61 GLY H H 1 8.278 0.004 A 61 GLY HAx H 1 3.892 0.004 A 61 GLY HAy H 1 3.892 0.004 A 61 GLY C C 13 173.878 0.000 A 61 GLY CA C 13 45.549 0.040 A 61 GLY N N 15 110.241 0.014 A 62 ALA H H 1 8.106 0.002 A 62 ALA HA H 1 4.288 0.009 A 62 ALA HB% H 1 1.383 0.008 A 62 ALA C C 13 177.838 0.000 A 62 ALA CA C 13 52.693 0.045 A 62 ALA CB C 13 19.363 0.057 A 62 ALA N N 15 123.447 0.032 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 9 TYR HD% A 42 ILE HD1% 1.0 . 4.29 2 2 A 9 TYR HE% A 42 ILE HD1% 1.0 . 4.65 3 3 A 42 ILE HA A 42 ILE HD1% 1.0 . 3.11 4 4 A 6 LEU HA A 42 ILE HD1% 1.0 . 4.03 5 5 A 42 ILE HB A 42 ILE HD1% 1.0 . 3.35 6 6 A 46 THR HA A 46 THR HG2% 1.0 . 3.24 7 7 A 10 LEU HD2% A 15 THR HA 1.0 . 3.82 8 8 A 9 TYR HD% A 4 ILE HB 1.0 . 4.43 9 9 A 4 ILE HB A 5 PRO HDy 1.0 . 4.18 10 10 A 57 PRO HA A 25 VAL HG1% 1.0 . 4.15 11 11 A 34 VAL HA A 34 VAL HG1% 1.0 . 2.98 12 11 A 34 VAL HA A 34 VAL HG2% 1.0 . 2.98 13 12 A 30 ILE HA A 30 ILE HD1% 1.0 . 3.63 14 13 A 40 ILE HA A 40 ILE HD1% 1.0 . 3.80 15 14 A 1 MET HA A 1 MET HBx 1.0 . 2.92 16 14 A 1 MET HA A 1 MET HBy 1.0 . 2.92 17 15 A 1 MET HA A 45 TYR HA 1.0 . 3.58 18 16 A 56 ARG HDx A 57 PRO HDx 1.0 . 4.74 19 16 A 57 PRO HDy A 56 ARG HDx 1.0 . 4.74 20 16 A 56 ARG HDy A 57 PRO HDy 1.0 . 4.74 21 16 A 56 ARG HDy A 57 PRO HDx 1.0 . 4.74 22 17 A 57 PRO HDy A 56 ARG HBx 1.0 . 4.14 23 17 A 56 ARG HBx A 57 PRO HDx 1.0 . 4.14 24 18 A 1 MET HA A 45 TYR HD% 1.0 . 4.99 25 19 A 2 LYS HEy A 2 LYS HGx 1.0 . 3.37 26 19 A 2 LYS HEx A 2 LYS HGx 1.0 . 3.37 27 19 A 2 LYS HGy A 2 LYS HEx 1.0 . 3.37 28 19 A 2 LYS HGy A 2 LYS HEy 1.0 . 3.37 29 20 A 9 TYR HD% A 19 LEU HD1% 1.0 . 4.17 30 21 A 9 TYR HE% A 19 LEU HD1% 1.0 . 3.81 31 22 A 4 ILE HB A 4 ILE HD1% 1.0 . 3.49 32 23 A 42 ILE HA A 42 ILE HG2% 1.0 . 3.46 33 24 A 6 LEU HA A 42 ILE HG2% 1.0 . 4.78 34 25 A 9 TYR HD% A 4 ILE HG2% 1.0 . 4.47 35 26 A 4 ILE HG2% A 13 HIS HD2 1.0 . 4.47 36 27 A 9 TYR HE% A 4 ILE HG2% 1.0 . 4.46 37 28 A 20 ALA HA A 25 VAL HG2% 1.0 . 3.02 38 29 A 30 ILE HA A 30 ILE HG2% 1.0 . 3.13 39 30 A 50 VAL HA A 50 VAL HG1% 1.0 . 3.59 40 31 A 26 ASN HA A 26 ASN HBx 1.0 . 3.01 41 31 A 26 ASN HA A 26 ASN HBy 1.0 . 3.01 42 32 A 10 LEU HD2% A 16 GLN HGx 1.0 . 3.72 43 33 A 4 ILE HG2% A 9 TYR HBy 1.0 . 4.02 44 34 A 5 PRO HDy A 4 ILE HG2% 1.0 . 4.27 45 35 A 4 ILE HG2% A 4 ILE HD1% 1.0 . 3.09 46 36 A 2 LYS HA A 2 LYS HGx 1.0 . 3.59 47 36 A 2 LYS HGy A 2 LYS HA 1.0 . 3.59 48 37 A 3 LYS HA A 3 LYS HGx 1.0 . 4.16 49 38 A 3 LYS HA A 43 GLU HA 1.0 . 3.74 50 39 A 3 LYS HEy A 3 LYS HGx 1.0 . 3.74 51 39 A 3 LYS HEx A 3 LYS HGx 1.0 . 3.74 52 40 A 9 TYR HD% A 4 ILE HD1% 1.0 . 3.31 53 41 A 9 TYR HE% A 4 ILE HD1% 1.0 . 4.13 54 42 A 9 TYR HD% A 6 LEU HA 1.0 . 4.99 55 43 A 6 LEU HA A 9 TYR HBy 1.0 . 7.00 56 44 A 6 LEU HD2% A 6 LEU HBx 1.0 . 3.13 57 45 A 6 LEU HA A 6 LEU HD1% 1.0 . 3.09 58 46 A 6 LEU HD1% A 6 LEU HBx 1.0 . 3.25 59 47 A 9 TYR HD% A 6 LEU HD1% 1.0 . 4.01 60 48 A 34 VAL HA A 6 LEU HD2% 1.0 . 4.01 61 49 A 6 LEU HA A 6 LEU HD2% 1.0 . 4.14 62 50 A 8 LYS HA A 8 LYS HDx 1.0 . 3.81 63 50 A 8 LYS HA A 8 LYS HDy 1.0 . 3.81 64 51 A 8 LYS HA A 8 LYS HEx 1.0 . 4.70 65 51 A 8 LYS HA A 8 LYS HEy 1.0 . 4.70 66 52 A 8 LYS HBy A 8 LYS HEx 1.0 . 3.81 67 52 A 8 LYS HBx A 8 LYS HEx 1.0 . 3.81 68 52 A 8 LYS HEy A 8 LYS HBx 1.0 . 3.81 69 52 A 8 LYS HEy A 8 LYS HBy 1.0 . 3.81 70 53 A 8 LYS HEy A 8 LYS HGx 1.0 . 3.65 71 53 A 8 LYS HGy A 8 LYS HEx 1.0 . 3.65 72 53 A 8 LYS HEy A 8 LYS HGy 1.0 . 3.65 73 53 A 8 LYS HEx A 8 LYS HGx 1.0 . 3.65 74 54 A 5 PRO HDy A 8 LYS HBx 1.0 . 3.87 75 54 A 5 PRO HDy A 8 LYS HBy 1.0 . 3.87 76 55 A 8 LYS HA A 8 LYS HGx 1.0 . 4.06 77 55 A 8 LYS HA A 8 LYS HGy 1.0 . 4.06 78 56 A 9 TYR HA A 13 HIS HBy 1.0 . 4.02 79 57 A 9 TYR HD% A 9 TYR HA 1.0 . 3.34 80 58 A 4 ILE HG2% A 9 TYR HA 1.0 . 4.25 81 59 A 9 TYR HA A 4 ILE HD1% 1.0 . 4.79 82 60 A 9 TYR HBy A 6 LEU HD1% 1.0 . 5.18 83 61 A 9 TYR HBy A 4 ILE HD1% 1.0 . 4.37 84 62 A 9 TYR HD% A 10 LEU HA 1.0 . 4.44 85 63 A 10 LEU HD2% A 10 LEU HA 1.0 . 3.32 86 64 A 10 LEU HD1% A 7 SER HBy 1.0 . 4.35 87 64 A 7 SER HBx A 10 LEU HD1% 1.0 . 4.35 88 65 A 9 TYR HD% A 10 LEU HD1% 1.0 . 4.52 89 66 A 10 LEU HD1% A 7 SER HA 1.0 . 3.77 90 67 A 9 TYR HE% A 10 LEU HD2% 1.0 . 3.66 91 68 A 9 TYR HD% A 10 LEU HD2% 1.0 . 3.31 92 69 A 10 LEU HD2% A 16 GLN HA 1.0 . 3.27 93 70 A 10 LEU HD2% A 19 LEU HD1% 1.0 . 4.81 94 71 A 10 LEU HD2% A 10 LEU HBx 1.0 . 3.45 95 72 A 9 TYR HD% A 10 LEU HG 1.0 . 4.47 96 73 A 11 GLU HA A 11 GLU HGx 1.0 . 4.06 97 73 A 11 GLU HA A 11 GLU HGy 1.0 . 4.06 98 74 A 12 GLU HA A 11 GLU HBx 1.0 . 4.33 99 75 A 9 TYR HE% A 14 GLY HAx 1.0 . 4.88 100 76 A 15 THR HA A 15 THR HG2% 1.0 . 3.24 101 77 A 16 GLN HA A 15 THR HG2% 1.0 . 4.34 102 78 A 16 GLN HA A 16 GLN HGx 1.0 . 4.25 103 79 A 17 SER HA A 27 GLN HGx 1.0 . 4.01 104 80 A 17 SER HA A 20 ALA HB% 1.0 . 3.42 105 81 A 21 ALA HB% A 17 SER HBy 1.0 . 4.45 106 81 A 17 SER HBx A 21 ALA HB% 1.0 . 4.45 107 82 A 17 SER HBx A 27 GLN HGx 1.0 . 4.65 108 82 A 17 SER HBy A 27 GLN HGx 1.0 . 4.65 109 83 A 15 THR HG2% A 18 ALA HB% 1.0 . 3.71 110 84 A 9 TYR HE% A 18 ALA HB% 1.0 . 4.87 111 85 A 18 ALA HB% A 19 LEU HA 1.0 . 3.45 112 86 A 9 TYR HE% A 19 LEU HA 1.0 . 4.78 113 87 A 9 TYR HE% A 19 LEU HBx 1.0 . 4.43 114 88 A 19 LEU HD1% A 19 LEU HBx 1.0 . 3.41 115 89 A 19 LEU HD1% A 19 LEU HA 1.0 . 3.06 116 90 A 10 LEU HD2% A 19 LEU HD2% 1.0 . 3.07 117 91 A 30 ILE HG2% A 19 LEU HD2% 1.0 . 3.04 118 92 A 19 LEU HD2% A 19 LEU HBx 1.0 . 3.37 119 93 A 19 LEU HA A 19 LEU HD2% 1.0 . 4.07 120 94 A 16 GLN HA A 19 LEU HD2% 1.0 . 4.57 121 95 A 20 ALA HB% A 27 GLN HGx 1.0 . 3.40 122 96 A 19 LEU HD1% A 22 ALA HB% 1.0 . 3.65 123 97 A 23 LEU HD2% A 23 LEU HBx 1.0 . 3.37 124 98 A 20 ALA HA A 23 LEU HD1% 1.0 . 4.68 125 99 A 23 LEU HD1% A 52 CYS HBx 1.0 . 4.39 126 100 A 23 LEU HD1% A 23 LEU HBx 1.0 . 3.26 127 101 A 19 LEU HD1% A 23 LEU HD1% 1.0 . 3.36 128 102 A 23 LEU HD1% A 23 LEU HA 1.0 . 4.25 129 103 A 23 LEU HD2% A 52 CYS HBx 1.0 . 3.91 130 104 A 23 LEU HD2% A 23 LEU HA 1.0 . 2.96 131 105 A 23 LEU HD2% A 52 CYS HA 1.0 . 3.83 132 106 A 19 LEU HD1% A 23 LEU HD2% 1.0 . 3.33 133 107 A 22 ALA HB% A 23 LEU HD2% 1.0 . 3.13 134 108 A 25 VAL HA A 25 VAL HG1% 1.0 . 2.97 135 109 A 60 PHE HD% A 55 LEU HD2% 1.0 . 4.43 136 110 A 20 ALA HA A 25 VAL HG1% 1.0 . 3.96 137 111 A 26 ASN HA A 20 ALA HB% 1.0 . 4.18 138 112 A 26 ASN HA A 25 VAL HG1% 1.0 . 4.53 139 112 A 26 ASN HA A 25 VAL HG2% 1.0 . 4.53 140 113 A 25 VAL HG2% A 26 ASN HBx 1.0 . 5.20 141 113 A 25 VAL HG1% A 26 ASN HBx 1.0 . 5.20 142 113 A 26 ASN HBy A 25 VAL HG1% 1.0 . 5.20 143 113 A 26 ASN HBy A 25 VAL HG2% 1.0 . 5.20 144 114 A 29 ALA HB% A 26 ASN HBx 1.0 . 4.18 145 114 A 26 ASN HBy A 29 ALA HB% 1.0 . 4.18 146 115 A 25 VAL HB A 26 ASN HBx 1.0 . 4.81 147 115 A 26 ASN HBy A 25 VAL HB 1.0 . 4.81 148 116 A 27 GLN HA A 30 ILE HD1% 1.0 . 3.99 149 117 A 30 ILE HG2% A 27 GLN HA 1.0 . 4.99 150 118 A 20 ALA HB% A 27 GLN HA 1.0 . 3.12 151 119 A 27 GLN HA A 27 GLN HGx 1.0 . 3.56 152 120 A 28 SER HA A 28 SER HBy 1.0 . 2.77 153 120 A 28 SER HA A 28 SER HBx 1.0 . 2.77 154 121 A 29 ALA HB% A 25 VAL HB 1.0 . 3.47 155 122 A 29 ALA HB% A 59 VAL HB 1.0 . 4.00 156 123 A 60 PHE HD% A 29 ALA HB% 1.0 . 4.77 157 124 A 30 ILE HG2% A 30 ILE HD1% 1.0 . 2.96 158 125 A 30 ILE HB A 30 ILE HD1% 1.0 . 3.28 159 126 A 19 LEU HD1% A 30 ILE HD1% 1.0 . 3.90 160 127 A 30 ILE HG2% A 16 GLN HA 1.0 . 3.73 161 128 A 31 SER HA A 34 VAL HG1% 1.0 . 3.53 162 128 A 34 VAL HG2% A 31 SER HA 1.0 . 3.53 163 129 A 31 SER HA A 34 VAL HB 1.0 . 3.38 164 130 A 55 LEU HD2% A 33 MET HGx 1.0 . 4.12 165 130 A 33 MET HGx A 55 LEU HD1% 1.0 . 4.12 166 131 A 29 ALA HA A 33 MET HGx 1.0 . 4.29 167 132 A 33 MET HE% A 40 ILE HB 1.0 . 3.01 168 133 A 33 MET HE% A 54 GLU HGx 1.0 . 3.38 169 134 A 54 GLU HA A 54 GLU HGx 1.0 . 3.96 170 135 A 34 VAL HA A 34 VAL HG1% 1.0 . 3.03 171 136 A 31 SER HA A 34 VAL HG1% 1.0 . 3.47 172 137 A 34 VAL HA A 34 VAL HG2% 1.0 . 2.96 173 138 A 34 VAL HG2% A 31 SER HA 1.0 . 3.48 174 139 A 38 ARG HA A 38 ARG HDx 1.0 . 3.57 175 139 A 38 ARG HA A 38 ARG HDy 1.0 . 3.57 176 140 A 40 ILE HA A 40 ILE HG2% 1.0 . 3.02 177 141 A 33 MET HGy A 40 ILE HD1% 1.0 . 4.04 178 141 A 40 ILE HD1% A 33 MET HGx 1.0 . 4.04 179 142 A 54 GLU HGy A 40 ILE HD1% 1.0 . 4.07 180 142 A 40 ILE HD1% A 54 GLU HGx 1.0 . 4.07 181 143 A 54 GLU HBy A 40 ILE HD1% 1.0 . 3.25 182 143 A 40 ILE HD1% A 54 GLU HBx 1.0 . 3.25 183 144 A 40 ILE HB A 40 ILE HD1% 1.0 . 3.21 184 145 A 54 GLU HA A 40 ILE HD1% 1.0 . 4.44 185 146 A 33 MET HE% A 40 ILE HG2% 1.0 . 3.28 186 147 A 9 TYR HD% A 42 ILE HG2% 1.0 . 3.84 187 148 A 9 TYR HE% A 42 ILE HG2% 1.0 . 4.10 188 149 A 44 LEU HA A 44 LEU HD1% 1.0 . 3.49 189 149 A 44 LEU HA A 44 LEU HD2% 1.0 . 3.49 190 150 A 44 LEU HD2% A 44 LEU HBx 1.0 . 3.59 191 150 A 44 LEU HBx A 44 LEU HD1% 1.0 . 3.59 192 151 A 44 LEU HA A 44 LEU HD1% 1.0 . 4.30 193 152 A 44 LEU HA A 44 LEU HD2% 1.0 . 4.77 194 153 A 45 TYR HBy A 49 ARG HBx 1.0 . 4.58 195 154 A 49 ARG HA A 49 ARG HDx 1.0 . 4.34 196 154 A 49 ARG HA A 49 ARG HDy 1.0 . 4.34 197 155 A 49 ARG HA A 50 VAL HG2% 1.0 . 4.47 198 156 A 45 TYR HD% A 50 VAL HA 1.0 . 4.93 199 157 A 19 LEU HD1% A 50 VAL HG2% 1.0 . 3.38 200 158 A 22 ALA HB% A 50 VAL HG2% 1.0 . 2.95 201 159 A 50 VAL HA A 50 VAL HG2% 1.0 . 3.78 202 160 A 9 TYR HE% A 50 VAL HG2% 1.0 . 4.11 203 161 A 9 TYR HD% A 50 VAL HG2% 1.0 . 4.78 204 162 A 23 LEU HD2% A 51 GLU HA 1.0 . 3.60 205 163 A 45 TYR HE% A 51 GLU HBx 1.0 . 4.51 206 164 A 42 ILE HA A 52 CYS HA 1.0 . 4.31 207 165 A 42 ILE HA A 52 CYS HBx 1.0 . 4.88 208 166 A 52 CYS HBx A 55 LEU HBx 1.0 . 4.86 209 166 A 52 CYS HBx A 55 LEU HBy 1.0 . 4.86 210 167 A 52 CYS HBx A 42 ILE HD1% 1.0 . 3.78 211 168 A 40 ILE HG2% A 54 GLU HBx 1.0 . 4.08 212 169 A 33 MET HE% A 55 LEU HA 1.0 . 4.84 213 170 A 55 LEU HA A 55 LEU HD1% 1.0 . 3.92 214 171 A 57 PRO HDy A 55 LEU HD1% 1.0 . 4.27 215 171 A 55 LEU HD1% A 57 PRO HDx 1.0 . 4.27 216 172 A 55 LEU HD2% A 55 LEU HA 1.0 . 2.94 217 173 A 56 ARG HA A 56 ARG HDx 1.0 . 3.78 218 173 A 56 ARG HDy A 56 ARG HA 1.0 . 3.78 219 174 A 56 ARG HA A 57 PRO HDx 1.0 . 3.01 220 174 A 57 PRO HDy A 56 ARG HA 1.0 . 3.01 221 175 A 58 ASP HA A 58 ASP HBx 1.0 . 2.84 222 175 A 58 ASP HA A 58 ASP HBy 1.0 . 2.84 223 176 A 59 VAL HA A 59 VAL HG1% 1.0 . 3.14 224 177 A 29 ALA HA A 59 VAL HG1% 1.0 . 4.25 225 178 A 60 PHE HD% A 59 VAL HG1% 1.0 . 4.13 226 179 A 60 PHE HD% A 59 VAL HG2% 1.0 . 4.42 227 180 A 59 VAL HA A 59 VAL HG2% 1.0 . 3.15 228 181 A 29 ALA HA A 59 VAL HG2% 1.0 . 4.65 229 182 A 60 PHE HD% A 60 PHE HA 1.0 . 3.48 230 183 A 59 VAL HB A 62 ALA HB% 1.0 . 4.65 231 184 A 30 ILE HA A 33 MET HE% 1.0 . 3.41 232 185 A 33 MET HE% A 33 MET HGx 1.0 . 2.94 233 185 A 33 MET HE% A 33 MET HGy 1.0 . 2.94 234 186 A 5 PRO HA A 41 ASP HA 1.0 . 4.02 235 187 A 50 VAL HA A 44 LEU HA 1.0 . 4.49 236 188 A 13 HIS HE1 A 4 ILE HD1% 1.0 . 5.24 237 189 A 9 TYR HD% A 44 LEU HD1% 1.0 . 3.81 238 190 A 9 TYR HE% A 44 LEU HD1% 1.0 . 3.74 239 191 A 13 HIS HE1 A 44 LEU HD1% 1.0 . 5.43 240 192 A 50 VAL HA A 44 LEU HD1% 1.0 . 4.94 241 193 A 13 HIS HD2 A 12 GLU HBx 1.0 . 3.83 242 193 A 13 HIS HD2 A 12 GLU HBy 1.0 . 3.83 243 194 A 44 LEU HD2% A 13 HIS HE1 1.0 . 4.58 244 195 A 9 TYR HD% A 44 LEU HD2% 1.0 . 3.88 245 196 A 9 TYR HE% A 44 LEU HD2% 1.0 . 3.79 246 197 A 9 TYR HE% A 50 VAL HG1% 1.0 . 3.86 247 198 A 9 TYR HD% A 50 VAL HG1% 1.0 . 4.60 248 199 A 16 GLN HA A 19 LEU HBx 1.0 . 4.69 249 200 A 33 MET HE% A 33 MET HA 1.0 . 3.59 250 201 A 2 LYS HBx A 2 LYS HGx 1.0 . 2.85 251 201 A 2 LYS HBy A 2 LYS HGx 1.0 . 2.85 252 201 A 2 LYS HGy A 2 LYS HBy 1.0 . 2.85 253 201 A 2 LYS HGy A 2 LYS HBx 1.0 . 2.85 254 202 A 1 MET HA A 2 LYS H 1.0 . 3.07 255 203 A 2 LYS H A 2 LYS HGx 1.0 . 2.90 256 203 A 2 LYS HGy A 2 LYS H 1.0 . 2.90 257 204 A 2 LYS HA A 3 LYS H 1.0 . 3.14 258 205 A 3 LYS H A 3 LYS HBy 1.0 . 3.78 259 205 A 3 LYS H A 3 LYS HBx 1.0 . 3.78 260 206 A 3 LYS HA A 4 ILE H 1.0 . 3.06 261 207 A 5 PRO HA A 6 LEU H 1.0 . 3.04 262 208 A 6 LEU H A 6 LEU HBx 1.0 . 3.47 263 209 A 7 SER H A 6 LEU HBx 1.0 . 4.37 264 210 A 7 SER H A 8 LYS H 1.0 . 3.96 265 211 A 8 LYS H A 9 TYR H 1.0 . 3.50 266 212 A 9 TYR HBy A 9 TYR H 1.0 . 3.48 267 213 A 9 TYR H A 8 LYS HBx 1.0 . 3.54 268 213 A 8 LYS HBy A 9 TYR H 1.0 . 3.54 269 214 A 9 TYR H A 10 LEU H 1.0 . 3.69 270 215 A 9 TYR HD% A 10 LEU H 1.0 . 4.10 271 216 A 10 LEU H A 10 LEU HBx 1.0 . 3.87 272 217 A 10 LEU HG A 10 LEU H 1.0 . 3.21 273 218 A 10 LEU HD1% A 10 LEU H 1.0 . 3.66 274 219 A 10 LEU H A 11 GLU H 1.0 . 3.77 275 220 A 11 GLU H A 12 GLU H 1.0 . 3.62 276 221 A 11 GLU H A 11 GLU HGx 1.0 . 4.43 277 221 A 11 GLU HGy A 11 GLU H 1.0 . 4.43 278 222 A 11 GLU H A 11 GLU HBx 1.0 . 3.86 279 223 A 12 GLU H A 13 HIS H 1.0 . 3.43 280 224 A 12 GLU H A 12 GLU HBx 1.0 . 3.55 281 224 A 12 GLU HBy A 12 GLU H 1.0 . 3.55 282 225 A 13 HIS HBy A 13 HIS H 1.0 . 3.58 283 226 A 13 HIS H A 14 GLY H 1.0 . 3.59 284 227 A 13 HIS HBy A 14 GLY H 1.0 . 4.02 285 228 A 18 ALA HB% A 15 THR H 1.0 . 3.69 286 229 A 15 THR HG2% A 15 THR H 1.0 . 3.93 287 230 A 15 THR HA A 16 GLN H 1.0 . 2.50 288 231 A 16 GLN H A 16 GLN HBx 1.0 . 2.60 289 231 A 16 GLN H A 16 GLN HBy 1.0 . 2.60 290 232 A 17 SER H A 16 GLN HBx 1.0 . 3.72 291 232 A 16 GLN HBy A 17 SER H 1.0 . 3.72 292 233 A 17 SER H A 17 SER HBy 1.0 . 3.16 293 233 A 17 SER HBx A 17 SER H 1.0 . 3.16 294 234 A 16 GLN H A 17 SER H 1.0 . 3.98 295 235 A 17 SER H A 18 ALA H 1.0 . 3.46 296 236 A 18 ALA H A 17 SER HBy 1.0 . 3.84 297 236 A 17 SER HBx A 18 ALA H 1.0 . 3.84 298 237 A 18 ALA HB% A 18 ALA H 1.0 . 3.11 299 238 A 15 THR HG2% A 18 ALA H 1.0 . 4.52 300 239 A 19 LEU H A 20 ALA H 1.0 . 3.97 301 240 A 18 ALA H A 19 LEU H 1.0 . 3.90 302 241 A 19 LEU H A 17 SER HBy 1.0 . 4.40 303 241 A 17 SER HBx A 19 LEU H 1.0 . 4.40 304 242 A 18 ALA HB% A 19 LEU H 1.0 . 3.28 305 243 A 20 ALA HB% A 20 ALA H 1.0 . 3.98 306 244 A 20 ALA H A 21 ALA H 1.0 . 4.08 307 245 A 21 ALA H A 22 ALA H 1.0 . 3.77 308 246 A 21 ALA HB% A 21 ALA H 1.0 . 3.06 309 247 A 22 ALA HB% A 22 ALA H 1.0 . 3.10 310 248 A 23 LEU H A 25 VAL HG1% 1.0 . 4.40 311 248 A 25 VAL HG2% A 23 LEU H 1.0 . 4.40 312 249 A 3 LYS H A 4 ILE H 1.0 . 4.55 313 250 A 4 ILE H A 42 ILE H 1.0 . 3.62 314 251 A 8 LYS H A 8 LYS HBx 1.0 . 3.13 315 251 A 8 LYS HBy A 8 LYS H 1.0 . 3.13 316 252 A 25 VAL HA A 26 ASN H 1.0 . 3.25 317 253 A 26 ASN H A 26 ASN HBx 1.0 . 3.47 318 253 A 26 ASN HBy A 26 ASN H 1.0 . 3.47 319 254 A 25 VAL HB A 26 ASN H 1.0 . 3.44 320 255 A 29 ALA HB% A 26 ASN H 1.0 . 4.90 321 256 A 26 ASN H A 25 VAL HG1% 1.0 . 3.97 322 256 A 25 VAL HG2% A 26 ASN H 1.0 . 3.97 323 257 A 29 ALA H A 30 ILE H 1.0 . 3.44 324 258 A 29 ALA H A 26 ASN HBx 1.0 . 4.46 325 258 A 26 ASN HBy A 29 ALA H 1.0 . 4.46 326 259 A 29 ALA HB% A 29 ALA H 1.0 . 3.34 327 260 A 30 ILE H A 31 SER H 1.0 . 3.53 328 261 A 30 ILE HB A 30 ILE H 1.0 . 3.26 329 262 A 31 SER H A 32 GLN H 1.0 . 3.86 330 263 A 31 SER H A 31 SER HBy 1.0 . 3.50 331 263 A 31 SER H A 31 SER HBx 1.0 . 3.50 332 264 A 29 ALA HB% A 31 SER H 1.0 . 4.95 333 265 A 30 ILE HG2% A 31 SER H 1.0 . 4.51 334 266 A 32 GLN H A 33 MET H 1.0 . 4.02 335 267 A 29 ALA HA A 32 GLN H 1.0 . 4.26 336 268 A 32 GLN H A 32 GLN HBx 1.0 . 3.35 337 268 A 32 GLN H A 32 GLN HBy 1.0 . 3.35 338 269 A 33 MET H A 33 MET HGx 1.0 . 3.85 339 269 A 33 MET HGy A 33 MET H 1.0 . 3.85 340 270 A 34 VAL H A 35 ARG H 1.0 . 3.70 341 271 A 33 MET H A 34 VAL H 1.0 . 3.33 342 272 A 34 VAL HB A 34 VAL H 1.0 . 3.44 343 273 A 34 VAL H A 34 VAL HG1% 1.0 . 3.37 344 273 A 34 VAL HG2% A 34 VAL H 1.0 . 3.37 345 274 A 35 ARG H A 36 ALA H 1.0 . 3.86 346 275 A 36 ALA H A 36 ALA HB% 1.0 . 3.46 347 276 A 36 ALA H A 37 GLY H 1.0 . 3.74 348 277 A 36 ALA HB% A 37 GLY H 1.0 . 4.52 349 278 A 37 GLY H A 38 ARG H 1.0 . 3.55 350 279 A 38 ARG H A 38 ARG HBx 1.0 . 3.44 351 279 A 38 ARG H A 38 ARG HBy 1.0 . 3.44 352 280 A 39 CYS HA A 40 ILE H 1.0 . 3.09 353 281 A 40 ILE HB A 40 ILE H 1.0 . 3.92 354 282 A 40 ILE HA A 41 ASP H 1.0 . 3.14 355 283 A 41 ASP H A 41 ASP HBx 1.0 . 3.82 356 284 A 40 ILE HB A 41 ASP H 1.0 . 4.25 357 285 A 41 ASP H A 40 ILE HD1% 1.0 . 3.97 358 286 A 41 ASP HA A 42 ILE H 1.0 . 2.90 359 287 A 42 ILE HB A 42 ILE H 1.0 . 3.26 360 288 A 42 ILE HA A 43 GLU H 1.0 . 3.02 361 289 A 42 ILE HG2% A 43 GLU H 1.0 . 3.93 362 290 A 44 LEU H A 44 LEU HBx 1.0 . 3.83 363 291 A 43 GLU HA A 44 LEU H 1.0 . 3.02 364 292 A 45 TYR HD% A 45 TYR H 1.0 . 3.32 365 293 A 44 LEU HA A 45 TYR H 1.0 . 3.11 366 294 A 45 TYR HBy A 45 TYR H 1.0 . 3.60 367 295 A 47 ASP H A 47 ASP HBx 1.0 . 4.06 368 296 A 48 GLY H A 49 ARG H 1.0 . 3.43 369 297 A 47 ASP H A 49 ARG H 1.0 . 3.81 370 298 A 45 TYR HBy A 49 ARG H 1.0 . 4.44 371 299 A 49 ARG H A 49 ARG HBx 1.0 . 3.84 372 300 A 49 ARG HA A 50 VAL H 1.0 . 3.00 373 301 A 50 VAL H A 50 VAL HB 1.0 . 4.00 374 302 A 50 VAL H A 50 VAL HG1% 1.0 . 4.06 375 302 A 50 VAL H A 50 VAL HG2% 1.0 . 4.06 376 303 A 50 VAL HA A 51 GLU H 1.0 . 3.13 377 304 A 51 GLU HA A 52 CYS H 1.0 . 3.08 378 305 A 52 CYS HA A 53 ARG H 1.0 . 3.17 379 306 A 54 GLU H A 55 LEU H 1.0 . 3.85 380 307 A 54 GLU H A 54 GLU HGx 1.0 . 4.81 381 307 A 54 GLU HGy A 54 GLU H 1.0 . 4.81 382 308 A 54 GLU H A 54 GLU HBx 1.0 . 3.56 383 308 A 54 GLU HBy A 54 GLU H 1.0 . 3.56 384 309 A 53 ARG H A 54 GLU H 1.0 . 4.37 385 310 A 55 LEU H A 55 LEU HBx 1.0 . 3.26 386 310 A 55 LEU HBy A 55 LEU H 1.0 . 3.26 387 311 A 56 ARG H A 55 LEU HD1% 1.0 . 4.15 388 312 A 55 LEU H A 56 ARG H 1.0 . 3.74 389 313 A 57 PRO HA A 58 ASP H 1.0 . 3.51 390 314 A 58 ASP H A 58 ASP HBx 1.0 . 3.65 391 314 A 58 ASP HBy A 58 ASP H 1.0 . 3.65 392 315 A 59 VAL HB A 58 ASP H 1.0 . 4.52 393 316 A 58 ASP H A 59 VAL H 1.0 . 4.18 394 317 A 59 VAL H A 60 PHE H 1.0 . 3.78 395 318 A 59 VAL H A 58 ASP HBx 1.0 . 4.53 396 318 A 58 ASP HBy A 59 VAL H 1.0 . 4.53 397 319 A 59 VAL HB A 59 VAL H 1.0 . 3.80 398 320 A 59 VAL HB A 60 PHE H 1.0 . 4.12 399 321 A 60 PHE H A 59 VAL HG1% 1.0 . 4.50 400 321 A 60 PHE H A 59 VAL HG2% 1.0 . 4.50 401 322 A 62 ALA HB% A 62 ALA H 1.0 . 3.80 402 323 A 62 ALA H A 61 GLY H 1.0 . 3.98 403 324 A 24 GLY H A 25 VAL H 1.0 . 3.58 404 325 A 23 LEU H A 25 VAL H 1.0 . 4.10 405 326 A 25 VAL H A 25 VAL HG1% 1.0 . 3.48 406 326 A 25 VAL HG2% A 25 VAL H 1.0 . 3.48 407 327 A 6 LEU HD2% A 6 LEU H 1.0 . 4.24 408 328 A 7 SER H A 7 SER HBy 1.0 . 3.58 409 328 A 7 SER HBx A 7 SER H 1.0 . 3.58 410 329 A 9 TYR HBy A 10 LEU H 1.0 . 4.50 411 330 A 10 LEU HD2% A 16 GLN HE2x 1.0 . 4.15 412 331 A 22 ALA HB% A 23 LEU H 1.0 . 3.53 413 332 A 29 ALA HB% A 30 ILE H 1.0 . 3.56 414 333 A 2 LYS H A 2 LYS HBy 1.0 . 2.68 415 333 A 2 LYS HBx A 2 LYS H 1.0 . 2.68 416 334 A 3 LYS H A 3 LYS HGx 1.0 . 3.96 417 334 A 3 LYS H A 3 LYS HGy 1.0 . 3.96 418 335 A 3 LYS HA A 3 LYS HGx 1.0 . 3.65 419 335 A 3 LYS HA A 3 LYS HGy 1.0 . 3.65 420 336 A 3 LYS HBy A 3 LYS HEx 1.0 . 4.47 421 336 A 3 LYS HBx A 3 LYS HEx 1.0 . 4.47 422 336 A 3 LYS HEy A 3 LYS HBy 1.0 . 4.47 423 336 A 3 LYS HEy A 3 LYS HBx 1.0 . 4.47 424 337 A 3 LYS HEy A 3 LYS HGx 1.0 . 3.27 425 337 A 3 LYS HGy A 3 LYS HEx 1.0 . 3.27 426 337 A 3 LYS HEy A 3 LYS HGy 1.0 . 3.27 427 337 A 3 LYS HEx A 3 LYS HGx 1.0 . 3.27 428 338 A 9 TYR HD% A 4 ILE HG1x 1.0 . 4.86 429 338 A 9 TYR HD% A 4 ILE HG1y 1.0 . 4.86 430 339 A 44 LEU HBx A 4 ILE HD1% 1.0 . 3.47 431 339 A 4 ILE HD1% A 44 LEU HBy 1.0 . 3.47 432 340 A 6 LEU H A 6 LEU HBy 1.0 . 3.04 433 340 A 6 LEU H A 6 LEU HBx 1.0 . 3.04 434 341 A 6 LEU HD1% A 6 LEU HBy 1.0 . 2.54 435 341 A 6 LEU HD1% A 6 LEU HBx 1.0 . 2.54 436 342 A 6 LEU HD2% A 6 LEU HBy 1.0 . 2.72 437 342 A 6 LEU HD2% A 6 LEU HBx 1.0 . 2.72 438 343 A 7 SER H A 6 LEU HBy 1.0 . 3.59 439 343 A 7 SER H A 6 LEU HBx 1.0 . 3.59 440 344 A 6 LEU HD2% A 33 MET HBy 1.0 . 3.96 441 344 A 6 LEU HD2% A 33 MET HBx 1.0 . 3.96 442 345 A 6 LEU HD2% A 33 MET HGx 1.0 . 4.81 443 345 A 6 LEU HD2% A 33 MET HGy 1.0 . 4.81 444 346 A 8 LYS HA A 11 GLU HBx 1.0 . 3.57 445 346 A 8 LYS HA A 11 GLU HBy 1.0 . 3.57 446 347 A 9 TYR HE% A 19 LEU HBy 1.0 . 3.82 447 347 A 9 TYR HE% A 19 LEU HBx 1.0 . 3.82 448 348 A 10 LEU H A 10 LEU HBy 1.0 . 3.25 449 348 A 10 LEU H A 10 LEU HBx 1.0 . 3.25 450 349 A 10 LEU HD1% A 10 LEU HBy 1.0 . 3.37 451 349 A 10 LEU HD1% A 10 LEU HBx 1.0 . 3.37 452 350 A 10 LEU HD2% A 10 LEU HBy 1.0 . 2.96 453 350 A 10 LEU HD2% A 10 LEU HBx 1.0 . 2.96 454 351 A 11 GLU H A 11 GLU HBx 1.0 . 3.33 455 351 A 11 GLU H A 11 GLU HBy 1.0 . 3.33 456 352 A 12 GLU HA A 11 GLU HBx 1.0 . 3.68 457 352 A 12 GLU HA A 11 GLU HBy 1.0 . 3.68 458 353 A 18 ALA HB% A 14 GLY HAy 1.0 . 3.78 459 353 A 18 ALA HB% A 14 GLY HAx 1.0 . 3.78 460 354 A 16 GLN HA A 16 GLN HGx 1.0 . 3.73 461 354 A 16 GLN HA A 16 GLN HGy 1.0 . 3.73 462 355 A 16 GLN HA A 19 LEU HBy 1.0 . 3.85 463 355 A 16 GLN HA A 19 LEU HBx 1.0 . 3.85 464 356 A 30 ILE HG2% A 16 GLN HGx 1.0 . 4.11 465 356 A 30 ILE HG2% A 16 GLN HGy 1.0 . 4.11 466 357 A 17 SER HBx A 27 GLN HGx 1.0 . 4.01 467 357 A 17 SER HBy A 27 GLN HGx 1.0 . 4.01 468 357 A 27 GLN HGy A 17 SER HBy 1.0 . 4.01 469 357 A 17 SER HBx A 27 GLN HGy 1.0 . 4.01 470 358 A 19 LEU H A 19 LEU HBy 1.0 . 3.37 471 358 A 19 LEU H A 19 LEU HBx 1.0 . 3.37 472 359 A 19 LEU HD1% A 19 LEU HBy 1.0 . 2.94 473 359 A 19 LEU HD1% A 19 LEU HBx 1.0 . 2.94 474 360 A 30 ILE HD1% A 19 LEU HBy 1.0 . 3.57 475 360 A 19 LEU HBx A 30 ILE HD1% 1.0 . 3.57 476 361 A 20 ALA HA A 23 LEU HBy 1.0 . 4.66 477 361 A 20 ALA HA A 23 LEU HBx 1.0 . 4.66 478 362 A 23 LEU H A 23 LEU HBy 1.0 . 3.19 479 362 A 23 LEU H A 23 LEU HBx 1.0 . 3.19 480 363 A 23 LEU HD1% A 23 LEU HBy 1.0 . 2.75 481 363 A 23 LEU HD1% A 23 LEU HBx 1.0 . 2.75 482 364 A 23 LEU HD2% A 23 LEU HBy 1.0 . 2.63 483 364 A 23 LEU HD2% A 23 LEU HBx 1.0 . 2.63 484 365 A 24 GLY H A 23 LEU HBy 1.0 . 4.31 485 365 A 24 GLY H A 23 LEU HBx 1.0 . 4.31 486 366 A 27 GLN HA A 27 GLN HGx 1.0 . 2.96 487 366 A 27 GLN HA A 27 GLN HGy 1.0 . 2.96 488 367 A 27 GLN HA A 30 ILE HG1x 1.0 . 4.64 489 367 A 27 GLN HA A 30 ILE HG1y 1.0 . 4.64 490 368 A 29 ALA HA A 33 MET HGx 1.0 . 3.75 491 368 A 29 ALA HA A 33 MET HGy 1.0 . 3.75 492 369 A 30 ILE H A 30 ILE HG1x 1.0 . 3.35 493 369 A 30 ILE H A 30 ILE HG1y 1.0 . 3.35 494 370 A 30 ILE HG2% A 30 ILE HG1x 1.0 . 2.89 495 370 A 30 ILE HG2% A 30 ILE HG1y 1.0 . 2.89 496 371 A 32 GLN H A 32 GLN HGy 1.0 . 4.51 497 371 A 32 GLN H A 32 GLN HGx 1.0 . 4.51 498 372 A 32 GLN HA A 32 GLN HGy 1.0 . 3.63 499 372 A 32 GLN HGx A 32 GLN HA 1.0 . 3.63 500 373 A 33 MET HGy A 55 LEU HD1% 1.0 . 3.62 501 373 A 33 MET HGx A 55 LEU HD1% 1.0 . 3.62 502 373 A 55 LEU HD2% A 33 MET HGx 1.0 . 3.62 503 373 A 55 LEU HD2% A 33 MET HGy 1.0 . 3.62 504 374 A 33 MET HE% A 54 GLU HGx 1.0 . 2.93 505 374 A 33 MET HE% A 54 GLU HGy 1.0 . 2.93 506 375 A 40 ILE HA A 40 ILE HG1x 1.0 . 3.49 507 375 A 40 ILE HA A 40 ILE HG1y 1.0 . 3.49 508 376 A 40 ILE HG2% A 54 GLU HBx 1.0 . 3.56 509 376 A 40 ILE HG2% A 54 GLU HBy 1.0 . 3.56 510 377 A 40 ILE HG2% A 54 GLU HGx 1.0 . 4.06 511 377 A 40 ILE HG2% A 54 GLU HGy 1.0 . 4.06 512 378 A 41 ASP H A 41 ASP HBy 1.0 . 3.35 513 378 A 41 ASP H A 41 ASP HBx 1.0 . 3.35 514 379 A 42 ILE HG2% A 42 ILE HG1x 1.0 . 3.04 515 379 A 42 ILE HG2% A 42 ILE HG1y 1.0 . 3.04 516 380 A 45 TYR HE% A 43 GLU HBy 1.0 . 4.39 517 380 A 45 TYR HE% A 43 GLU HBx 1.0 . 4.39 518 381 A 44 LEU H A 44 LEU HBy 1.0 . 3.15 519 381 A 44 LEU H A 44 LEU HBx 1.0 . 3.15 520 382 A 48 GLY HAx A 44 LEU HD1% 1.0 . 4.38 521 382 A 44 LEU HD1% A 48 GLY HAy 1.0 . 4.38 522 383 A 45 TYR HBy A 49 ARG HBy 1.0 . 4.02 523 383 A 45 TYR HBy A 49 ARG HBx 1.0 . 4.02 524 384 A 45 TYR HE% A 51 GLU HBx 1.0 . 3.90 525 384 A 45 TYR HE% A 51 GLU HBy 1.0 . 3.90 526 385 A 47 ASP H A 47 ASP HBy 1.0 . 3.48 527 385 A 47 ASP H A 47 ASP HBx 1.0 . 3.48 528 386 A 49 ARG H A 49 ARG HBy 1.0 . 3.36 529 386 A 49 ARG H A 49 ARG HBx 1.0 . 3.36 530 387 A 52 CYS H A 51 GLU HBx 1.0 . 3.75 531 387 A 52 CYS H A 51 GLU HBy 1.0 . 3.75 532 388 A 54 GLU HA A 54 GLU HGx 1.0 . 3.48 533 388 A 54 GLU HA A 54 GLU HGy 1.0 . 3.48 534 389 A 56 ARG HBy A 57 PRO HDx 1.0 . 3.39 535 389 A 56 ARG HBx A 57 PRO HDx 1.0 . 3.39 536 389 A 57 PRO HDy A 56 ARG HBy 1.0 . 3.39 537 389 A 57 PRO HDy A 56 ARG HBx 1.0 . 3.39 538 390 A 60 PHE H A 60 PHE HBy 1.0 . 3.65 539 390 A 60 PHE H A 60 PHE HBx 1.0 . 3.65 540 391 A 62 ALA HB% A 60 PHE HBy 1.0 . 4.64 541 391 A 62 ALA HB% A 60 PHE HBx 1.0 . 4.64 542 392 A 5 PRO HA A 41 ASP HA 1.0 . 4.50 543 393 A 50 VAL HA A 44 LEU HA 1.0 . 4.50 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _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 42 ILE HA A 42 ILE HD1% 1.0 0.0 3.11 2 2 A 6 LEU HA A 42 ILE HD1% 1.0 0.0 4.03 3 3 A 42 ILE HB A 42 ILE HD1% 1.0 0.0 3.35 4 4 A 4 ILE HB A 5 PRO HDy 1.0 0.0 4.18 5 5 A 30 ILE HA A 30 ILE HD1% 1.0 0.0 3.63 6 6 A 40 ILE HA A 40 ILE HD1% 1.0 0.0 3.80 7 7 A 1 MET HA A 45 TYR HA 1.0 0.0 3.58 8 8 A 4 ILE HB A 4 ILE HD1% 1.0 0.0 3.49 9 9 A 4 ILE HB A 5 PRO HDx 1.0 0.0 4.47 10 10 A 16 GLN HA A 16 GLN HGy 1.0 0.0 4.25 11 11 A 3 LYS HA A 3 LYS HGx 1.0 0.0 4.16 12 12 A 3 LYS HA A 43 GLU HA 1.0 0.0 3.74 13 13 A 3 LYS HA A 3 LYS HGy 1.0 0.0 4.16 14 14 A 4 ILE HD1% A 5 PRO HDx 1.0 0.0 4.75 15 15 A 6 LEU HA A 9 TYR HBx 1.0 0.0 4.05 16 16 A 6 LEU HA A 9 TYR HBy 1.0 0.0 7.00 17 17 A 9 TYR HA A 13 HIS HBx 1.0 0.0 4.77 18 18 A 9 TYR HA A 13 HIS HBy 1.0 0.0 4.02 19 19 A 9 TYR HA A 4 ILE HD1% 1.0 0.0 4.79 20 20 A 4 ILE HD1% A 9 TYR HBx 1.0 0.0 4.58 21 21 A 9 TYR HBy A 4 ILE HD1% 1.0 0.0 4.37 22 22 A 12 GLU HA A 11 GLU HBx 1.0 0.0 4.33 23 23 A 12 GLU HA A 11 GLU HBy 1.0 0.0 4.33 24 24 A 16 GLN HA A 16 GLN HGx 1.0 0.0 4.25 25 25 A 17 SER HA A 27 GLN HGy 1.0 0.0 4.01 26 26 A 17 SER HA A 27 GLN HGx 1.0 0.0 4.01 27 27 A 17 SER HBx A 27 GLN HGy 1.0 0.0 4.65 28 28 A 17 SER HBx A 27 GLN HGx 1.0 0.0 4.65 29 29 A 27 GLN HA A 30 ILE HD1% 1.0 0.0 3.99 30 30 A 27 GLN HA A 27 GLN HGy 1.0 0.0 3.56 31 31 A 27 GLN HA A 27 GLN HGx 1.0 0.0 3.56 32 32 A 28 SER HA A 28 SER HBx 1.0 0.0 2.77 33 33 A 30 ILE HB A 30 ILE HD1% 1.0 0.0 3.28 34 34 A 31 SER HA A 34 VAL HB 1.0 0.0 3.38 35 35 A 29 ALA HA A 33 MET HGx 1.0 0.0 4.29 36 36 A 29 ALA HA A 33 MET HGy 1.0 0.0 4.29 37 37 A 54 GLU HA A 54 GLU HGx 1.0 0.0 3.96 38 38 A 40 ILE HB A 40 ILE HD1% 1.0 0.0 3.21 39 39 A 54 GLU HA A 40 ILE HD1% 1.0 0.0 4.44 40 40 A 54 GLU HA A 54 GLU HGy 1.0 0.0 3.96 41 41 A 42 ILE HD1% A 52 CYS HBy 1.0 0.0 4.26 42 42 A 49 ARG HBx A 45 TYR HBx 1.0 0.0 4.95 43 43 A 45 TYR HBx A 49 ARG HBy 1.0 0.0 4.95 44 44 A 45 TYR HBy A 49 ARG HBy 1.0 0.0 4.58 45 45 A 45 TYR HBy A 49 ARG HBx 1.0 0.0 4.58 46 46 A 42 ILE HA A 52 CYS HA 1.0 0.0 4.31 47 47 A 42 ILE HA A 52 CYS HBx 1.0 0.0 4.88 48 48 A 52 CYS HBx A 42 ILE HD1% 1.0 0.0 3.78 49 49 A 5 PRO HA A 41 ASP HA 1.0 0.0 4.02 50 50 A 50 VAL HA A 44 LEU HA 1.0 0.0 4.49 51 51 A 13 HIS HE1 A 4 ILE HD1% 1.0 0.0 5.24 52 52 A 16 GLN HA A 19 LEU HBx 1.0 0.0 4.69 53 53 A 16 GLN HA A 19 LEU HBy 1.0 0.0 4.69 54 54 A 1 MET HA A 2 LYS H 1.0 0.0 3.07 55 55 A 2 LYS HA A 3 LYS H 1.0 0.0 3.14 56 56 A 3 LYS HA A 4 ILE H 1.0 0.0 3.06 57 57 A 5 PRO HA A 6 LEU H 1.0 0.0 3.04 58 58 A 6 LEU H A 6 LEU HBx 1.0 0.0 3.47 59 59 A 6 LEU H A 6 LEU HBy 1.0 0.0 3.47 60 60 A 7 SER H A 6 LEU HBx 1.0 0.0 4.37 61 61 A 7 SER H A 6 LEU HBy 1.0 0.0 4.37 62 62 A 7 SER H A 8 LYS H 1.0 0.0 3.96 63 63 A 8 LYS H A 9 TYR H 1.0 0.0 3.50 64 64 A 9 TYR H A 9 TYR HBx 1.0 0.0 3.47 65 65 A 9 TYR HBy A 9 TYR H 1.0 0.0 3.48 66 66 A 9 TYR H A 10 LEU H 1.0 0.0 3.69 67 67 A 10 LEU H A 9 TYR HBx 1.0 0.0 3.93 68 68 A 10 LEU H A 10 LEU HBx 1.0 0.0 3.87 69 69 A 10 LEU HG A 10 LEU H 1.0 0.0 3.21 70 70 A 10 LEU H A 10 LEU HBy 1.0 0.0 3.87 71 71 A 10 LEU H A 11 GLU H 1.0 0.0 3.77 72 72 A 11 GLU H A 12 GLU H 1.0 0.0 3.62 73 73 A 11 GLU H A 11 GLU HBx 1.0 0.0 3.86 74 74 A 11 GLU H A 11 GLU HBy 1.0 0.0 3.86 75 75 A 12 GLU H A 13 HIS H 1.0 0.0 3.43 76 76 A 13 HIS HBy A 13 HIS H 1.0 0.0 3.58 77 77 A 13 HIS H A 14 GLY H 1.0 0.0 3.59 78 78 A 13 HIS HBy A 14 GLY H 1.0 0.0 4.02 79 79 A 15 THR HA A 16 GLN H 1.0 0.0 2.50 80 80 A 17 SER HBx A 17 SER H 1.0 0.0 3.16 81 81 A 16 GLN H A 17 SER H 1.0 0.0 3.98 82 82 A 17 SER H A 18 ALA H 1.0 0.0 3.46 83 83 A 17 SER HBx A 18 ALA H 1.0 0.0 3.84 84 84 A 19 LEU H A 20 ALA H 1.0 0.0 3.97 85 85 A 18 ALA H A 19 LEU H 1.0 0.0 3.90 86 86 A 17 SER HBx A 19 LEU H 1.0 0.0 4.40 87 87 A 20 ALA H A 21 ALA H 1.0 0.0 4.08 88 88 A 21 ALA H A 22 ALA H 1.0 0.0 3.77 89 89 A 3 LYS H A 4 ILE H 1.0 0.0 4.55 90 90 A 4 ILE H A 42 ILE H 1.0 0.0 3.62 91 91 A 25 VAL HA A 26 ASN H 1.0 0.0 3.25 92 92 A 25 VAL HB A 26 ASN H 1.0 0.0 3.44 93 93 A 29 ALA H A 30 ILE H 1.0 0.0 3.44 94 94 A 30 ILE H A 31 SER H 1.0 0.0 3.53 95 95 A 30 ILE HB A 30 ILE H 1.0 0.0 3.26 96 96 A 31 SER H A 32 GLN H 1.0 0.0 3.86 97 97 A 31 SER H A 31 SER HBx 1.0 0.0 3.50 98 98 A 32 GLN H A 33 MET H 1.0 0.0 4.02 99 99 A 29 ALA HA A 32 GLN H 1.0 0.0 4.26 100 100 A 34 VAL H A 35 ARG H 1.0 0.0 3.70 101 101 A 33 MET H A 34 VAL H 1.0 0.0 3.33 102 102 A 34 VAL HB A 34 VAL H 1.0 0.0 3.44 103 103 A 35 ARG H A 36 ALA H 1.0 0.0 3.86 104 104 A 36 ALA H A 37 GLY H 1.0 0.0 3.74 105 105 A 37 GLY H A 38 ARG H 1.0 0.0 3.55 106 106 A 39 CYS HA A 40 ILE H 1.0 0.0 3.09 107 107 A 40 ILE HB A 40 ILE H 1.0 0.0 3.92 108 108 A 40 ILE HA A 41 ASP H 1.0 0.0 3.14 109 109 A 41 ASP H A 41 ASP HBx 1.0 0.0 3.82 110 110 A 41 ASP H A 41 ASP HBy 1.0 0.0 3.82 111 111 A 40 ILE HB A 41 ASP H 1.0 0.0 4.25 112 112 A 41 ASP H A 40 ILE HD1% 1.0 0.0 3.97 113 113 A 41 ASP HA A 42 ILE H 1.0 0.0 2.90 114 114 A 42 ILE HB A 42 ILE H 1.0 0.0 3.26 115 115 A 42 ILE HA A 43 GLU H 1.0 0.0 3.02 116 116 A 44 LEU H A 44 LEU HBy 1.0 0.0 3.83 117 117 A 44 LEU H A 44 LEU HBx 1.0 0.0 3.83 118 118 A 43 GLU HA A 44 LEU H 1.0 0.0 3.02 119 119 A 44 LEU HA A 45 TYR H 1.0 0.0 3.11 120 120 A 45 TYR HBy A 45 TYR H 1.0 0.0 3.60 121 121 A 47 ASP H A 47 ASP HBx 1.0 0.0 4.06 122 122 A 47 ASP H A 47 ASP HBy 1.0 0.0 4.06 123 123 A 47 ASP H A 45 TYR HBx 1.0 0.0 3.84 124 124 A 48 GLY H A 49 ARG H 1.0 0.0 3.43 125 125 A 47 ASP H A 49 ARG H 1.0 0.0 3.81 126 126 A 45 TYR HBy A 49 ARG H 1.0 0.0 4.44 127 127 A 49 ARG H A 49 ARG HBx 1.0 0.0 3.84 128 128 A 49 ARG HA A 50 VAL H 1.0 0.0 3.00 129 129 A 50 VAL H A 50 VAL HB 1.0 0.0 4.00 130 130 A 50 VAL HA A 51 GLU H 1.0 0.0 3.13 131 131 A 51 GLU HA A 52 CYS H 1.0 0.0 3.08 132 132 A 52 CYS HA A 53 ARG H 1.0 0.0 3.17 133 133 A 54 GLU H A 55 LEU H 1.0 0.0 3.85 134 134 A 53 ARG H A 54 GLU H 1.0 0.0 4.37 135 135 A 55 LEU H A 56 ARG H 1.0 0.0 3.74 136 136 A 57 PRO HA A 58 ASP H 1.0 0.0 3.51 137 137 A 59 VAL HB A 58 ASP H 1.0 0.0 4.52 138 138 A 58 ASP H A 59 VAL H 1.0 0.0 4.18 139 139 A 59 VAL H A 60 PHE H 1.0 0.0 3.78 140 140 A 59 VAL HB A 59 VAL H 1.0 0.0 3.80 141 141 A 59 VAL HB A 60 PHE H 1.0 0.0 4.12 142 142 A 62 ALA H A 61 GLY H 1.0 0.0 3.98 143 143 A 24 GLY H A 25 VAL H 1.0 0.0 3.58 144 144 A 23 LEU H A 25 VAL H 1.0 0.0 4.10 145 145 A 6 LEU H A 5 PRO HBx 1.0 0.0 4.16 146 146 A 7 SER HBx A 7 SER H 1.0 0.0 3.58 147 147 A 9 TYR HBy A 10 LEU H 1.0 0.0 4.50 148 148 A 14 GLY H A 13 HIS HBx 1.0 0.0 4.26 149 149 A 49 ARG H A 49 ARG HBy 1.0 0.0 3.84 150 150 A 5 PRO HA A 41 ASP HA 1.0 0.0 4.50 151 151 A 50 VAL HA A 44 LEU HA 1.0 0.0 4.50 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 9 TYR H A 5 PRO O 1.0 . 2.5 2 2 A 5 PRO O A 9 TYR N 1.0 . 3.5 3 3 A 10 LEU H A 6 LEU O 1.0 . 2.5 4 4 A 6 LEU O A 10 LEU N 1.0 . 3.5 5 5 A 11 GLU H A 7 SER O 1.0 . 2.5 6 6 A 7 SER O A 11 GLU N 1.0 . 3.5 7 7 A 12 GLU H A 8 LYS O 1.0 . 2.5 8 8 A 8 LYS O A 12 GLU N 1.0 . 3.5 9 9 A 20 ALA H A 16 GLN O 1.0 . 2.5 10 10 A 16 GLN O A 20 ALA N 1.0 . 3.5 11 11 A 21 ALA H A 17 SER O 1.0 . 2.5 12 12 A 17 SER O A 21 ALA N 1.0 . 3.5 13 13 A 22 ALA H A 18 ALA O 1.0 . 2.5 14 14 A 18 ALA O A 22 ALA N 1.0 . 3.5 15 15 A 23 LEU H A 19 LEU O 1.0 . 2.5 16 16 A 19 LEU O A 23 LEU N 1.0 . 3.5 17 17 A 31 SER H A 27 GLN O 1.0 . 2.5 18 18 A 27 GLN O A 31 SER N 1.0 . 3.5 19 19 A 32 GLN H A 28 SER O 1.0 . 2.5 20 20 A 28 SER O A 32 GLN N 1.0 . 3.5 21 21 A 33 MET H A 29 ALA O 1.0 . 2.5 22 22 A 29 ALA O A 33 MET N 1.0 . 3.5 23 23 A 34 VAL H A 30 ILE O 1.0 . 2.5 24 24 A 30 ILE O A 34 VAL N 1.0 . 3.5 25 25 A 35 ARG H A 31 SER O 1.0 . 2.5 26 26 A 31 SER O A 35 ARG N 1.0 . 3.5 27 27 A 36 ALA H A 32 GLN O 1.0 . 2.5 28 28 A 32 GLN O A 36 ALA N 1.0 . 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _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 9 TYR H A 5 PRO O 1.0 0.0 2.5 2 2 A 5 PRO O A 9 TYR N 1.0 0.0 3.5 3 3 A 10 LEU H A 6 LEU O 1.0 0.0 2.5 4 4 A 6 LEU O A 10 LEU N 1.0 0.0 3.5 5 5 A 11 GLU H A 7 SER O 1.0 0.0 2.5 6 6 A 7 SER O A 11 GLU N 1.0 0.0 3.5 7 7 A 12 GLU H A 8 LYS O 1.0 0.0 2.5 8 8 A 8 LYS O A 12 GLU N 1.0 0.0 3.5 9 9 A 20 ALA H A 16 GLN O 1.0 0.0 2.5 10 10 A 16 GLN O A 20 ALA N 1.0 0.0 3.5 11 11 A 21 ALA H A 17 SER O 1.0 0.0 2.5 12 12 A 17 SER O A 21 ALA N 1.0 0.0 3.5 13 13 A 22 ALA H A 18 ALA O 1.0 0.0 2.5 14 14 A 18 ALA O A 22 ALA N 1.0 0.0 3.5 15 15 A 23 LEU H A 19 LEU O 1.0 0.0 2.5 16 16 A 19 LEU O A 23 LEU N 1.0 0.0 3.5 17 17 A 31 SER H A 27 GLN O 1.0 0.0 2.5 18 18 A 27 GLN O A 31 SER N 1.0 0.0 3.5 19 19 A 32 GLN H A 28 SER O 1.0 0.0 2.5 20 20 A 28 SER O A 32 GLN N 1.0 0.0 3.5 21 21 A 33 MET H A 29 ALA O 1.0 0.0 2.5 22 22 A 29 ALA O A 33 MET N 1.0 0.0 3.5 23 23 A 34 VAL H A 30 ILE O 1.0 0.0 2.5 24 24 A 30 ILE O A 34 VAL N 1.0 0.0 3.5 25 25 A 35 ARG H A 31 SER O 1.0 0.0 2.5 26 26 A 31 SER O A 35 ARG N 1.0 0.0 3.5 27 27 A 36 ALA H A 32 GLN O 1.0 0.0 2.5 28 28 A 32 GLN O A 36 ALA N 1.0 0.0 3.5 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 1 MET C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -138.9 -97.2 PHI 2 2 A 2 LYS N A 2 LYS CA A 2 LYS C A 3 LYS N 1.0 115.3 162.6 PSI 3 3 A 2 LYS C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -124.3 -77.6 PHI 4 4 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 ILE N 1.0 106.1 146.1 PSI 5 5 A 3 LYS C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -151.3 -96.8 PHI 6 6 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 PRO N 1.0 107.9 169.1 PSI 7 7 A 5 PRO N A 5 PRO CA A 5 PRO C A 6 LEU N 1.0 122.8 162.8 PSI 8 8 A 5 PRO C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -76.2 -36.2 PHI 9 9 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 SER N 1.0 -62.0 -22.0 PSI 10 10 A 6 LEU C A 7 SER N A 7 SER CA A 7 SER C 1.0 -83.0 -43.0 PHI 11 11 A 7 SER N A 7 SER CA A 7 SER C A 8 LYS N 1.0 -55.7 -15.7 PSI 12 12 A 7 SER C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -91.1 -51.1 PHI 13 13 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 TYR N 1.0 -58.3 -18.3 PSI 14 14 A 8 LYS C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -83.7 -43.7 PHI 15 15 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 LEU N 1.0 -64.3 -24.3 PSI 16 16 A 9 TYR C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -86.5 -46.5 PHI 17 17 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 GLU N 1.0 -54.6 -14.6 PSI 18 18 A 10 LEU C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -94.1 -50.9 PHI 19 19 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 GLU N 1.0 -53.4 -13.4 PSI 20 20 A 11 GLU C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -126.3 -77.2 PHI 21 21 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 HIS N 1.0 -53.2 7.8 PSI 22 22 A 12 GLU C A 13 HIS N A 13 HIS CA A 13 HIS C 1.0 -136.1 -92.3 PHI 23 23 A 13 HIS N A 13 HIS CA A 13 HIS C A 14 GLY N 1.0 -46.7 19.1 PSI 24 24 A 14 GLY C A 15 THR N A 15 THR CA A 15 THR C 1.0 -165.8 -92.3 PHI 25 25 A 15 THR N A 15 THR CA A 15 THR C A 16 GLN N 1.0 145.1 185.1 PSI 26 26 A 15 THR C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -80.4 -40.4 PHI 27 27 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 SER N 1.0 -60.4 -20.4 PSI 28 28 A 16 GLN C A 17 SER N A 17 SER CA A 17 SER C 1.0 -85.3 -45.3 PHI 29 29 A 17 SER N A 17 SER CA A 17 SER C A 18 ALA N 1.0 -60.6 -20.6 PSI 30 30 A 17 SER C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -86.2 -46.2 PHI 31 31 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 LEU N 1.0 -58.2 -18.2 PSI 32 32 A 18 ALA C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -86.0 -46.0 PHI 33 33 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 ALA N 1.0 -62.9 -22.9 PSI 34 34 A 19 LEU C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -79.5 -39.5 PHI 35 35 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 ALA N 1.0 -63.4 -23.4 PSI 36 36 A 20 ALA C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -85.1 -45.1 PHI 37 37 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 ALA N 1.0 -61.0 -21.0 PSI 38 38 A 21 ALA C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -86.6 -46.6 PHI 39 39 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 LEU N 1.0 -57.5 -17.5 PSI 40 40 A 22 ALA C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -108.1 -68.1 PHI 41 41 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 GLY N 1.0 -33.6 6.4 PSI 42 42 A 23 LEU C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 51.9 91.9 PHI 43 43 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 VAL N 1.0 15.4 55.4 PSI 44 44 A 24 GLY C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -146.3 -106.3 PHI 45 45 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 ASN N 1.0 143.5 183.5 PSI 46 46 A 25 VAL C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -90.7 -50.2 PHI 47 47 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 GLN N 1.0 125.3 165.3 PSI 48 48 A 26 ASN C A 27 GLN N A 27 GLN CA A 27 GLN C 1.0 -78.5 -38.5 PHI 49 49 A 27 GLN N A 27 GLN CA A 27 GLN C A 28 SER N 1.0 -57.6 -17.6 PSI 50 50 A 27 GLN C A 28 SER N A 28 SER CA A 28 SER C 1.0 -85.3 -45.3 PHI 51 51 A 28 SER N A 28 SER CA A 28 SER C A 29 ALA N 1.0 -55.1 -15.1 PSI 52 52 A 28 SER C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -88.7 -48.7 PHI 53 53 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 ILE N 1.0 -58.7 -18.7 PSI 54 54 A 29 ALA C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -87.4 -47.4 PHI 55 55 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 SER N 1.0 -60.6 -20.6 PSI 56 56 A 30 ILE C A 31 SER N A 31 SER CA A 31 SER C 1.0 -84.2 -44.2 PHI 57 57 A 31 SER N A 31 SER CA A 31 SER C A 32 GLN N 1.0 -61.2 -21.2 PSI 58 58 A 31 SER C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -86.7 -46.7 PHI 59 59 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 MET N 1.0 -58.0 -18.0 PSI 60 60 A 32 GLN C A 33 MET N A 33 MET CA A 33 MET C 1.0 -85.7 -45.7 PHI 61 61 A 33 MET N A 33 MET CA A 33 MET C A 34 VAL N 1.0 -63.8 -23.8 PSI 62 62 A 33 MET C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -85.7 -45.7 PHI 63 63 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 ARG N 1.0 -64.0 -24.0 PSI 64 64 A 34 VAL C A 35 ARG N A 35 ARG CA A 35 ARG C 1.0 -85.7 -45.7 PHI 65 65 A 35 ARG N A 35 ARG CA A 35 ARG C A 36 ALA N 1.0 -50.3 -10.3 PSI 66 66 A 35 ARG C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -101.3 -61.3 PHI 67 67 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 GLY N 1.0 -25.2 14.8 PSI 68 68 A 36 ALA C A 37 GLY N A 37 GLY CA A 37 GLY C 1.0 53.8 93.8 PHI 69 69 A 37 GLY N A 37 GLY CA A 37 GLY C A 38 ARG N 1.0 3.7 43.7 PSI 70 70 A 37 GLY C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -102.3 -59.1 PHI 71 71 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 CYS N 1.0 116.9 156.9 PSI 72 72 A 38 ARG C A 39 CYS N A 39 CYS CA A 39 CYS C 1.0 -90.5 -50.5 PHI 73 73 A 39 CYS N A 39 CYS CA A 39 CYS C A 40 ILE N 1.0 115.1 155.1 PSI 74 74 A 39 CYS C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -148.6 -100.5 PHI 75 75 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 ASP N 1.0 112.4 152.4 PSI 76 76 A 40 ILE C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -133.8 -83.9 PHI 77 77 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 ILE N 1.0 103.8 143.8 PSI 78 78 A 41 ASP C A 42 ILE N A 42 ILE CA A 42 ILE C 1.0 -124.8 -84.8 PHI 79 79 A 42 ILE N A 42 ILE CA A 42 ILE C A 43 GLU N 1.0 106.1 146.1 PSI 80 80 A 42 ILE C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -138.8 -73.1 PHI 81 81 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 LEU N 1.0 98.3 151.1 PSI 82 82 A 43 GLU C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -126.5 -86.5 PHI 83 83 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 TYR N 1.0 104.8 146.3 PSI 84 84 A 44 LEU C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -102.1 -62.1 PHI 85 85 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 THR N 1.0 139.0 179.0 PSI 86 86 A 45 TYR C A 46 THR N A 46 THR CA A 46 THR C 1.0 -83.8 -43.8 PHI 87 87 A 46 THR N A 46 THR CA A 46 THR C A 47 ASP N 1.0 -41.0 -1.0 PSI 88 88 A 46 THR C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -105.0 -65.0 PHI 89 89 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 GLY N 1.0 -18.9 21.1 PSI 90 90 A 47 ASP C A 48 GLY N A 48 GLY CA A 48 GLY C 1.0 73.7 113.7 PHI 91 91 A 48 GLY N A 48 GLY CA A 48 GLY C A 49 ARG N 1.0 -28.2 11.8 PSI 92 92 A 48 GLY C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -89.2 -49.2 PHI 93 93 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 VAL N 1.0 122.1 162.1 PSI 94 94 A 49 ARG C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -145.2 -81.4 PHI 95 95 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 GLU N 1.0 114.8 163.5 PSI 96 96 A 50 VAL C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -158.0 -110.5 PHI 97 97 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 CYS N 1.0 126.2 174.6 PSI 98 98 A 51 GLU C A 52 CYS N A 52 CYS CA A 52 CYS C 1.0 -95.1 -55.1 PHI 99 99 A 52 CYS N A 52 CYS CA A 52 CYS C A 53 ARG N 1.0 102.0 158.8 PSI 100 100 A 52 CYS C A 53 ARG N A 53 ARG CA A 53 ARG C 1.0 -81.2 -41.2 PHI 101 101 A 53 ARG N A 53 ARG CA A 53 ARG C A 54 GLU N 1.0 -47.5 -7.5 PSI 102 102 A 53 ARG C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -89.4 -49.4 PHI 103 103 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 LEU N 1.0 -38.2 1.8 PSI 104 104 A 55 LEU C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -99.5 -45.5 PHI 105 105 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 PRO N 1.0 103.9 155.6 PSI 106 106 A 57 PRO N A 57 PRO CA A 57 PRO C A 58 ASP N 1.0 -47.2 -7.2 PSI 107 107 A 57 PRO C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -97.3 -57.3 PHI 108 108 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 VAL N 1.0 -31.4 8.7 PSI 109 109 A 4 ILE N A 4 ILE CA A 4 ILE CB A 4 ILE CG1 1.0 -100.0 -20.0 CHI1 110 110 A 9 TYR N A 9 TYR CA A 9 TYR CB A 9 TYR CG 1.0 -220.0 -140.0 CHI1 111 111 A 15 THR N A 15 THR CA A 15 THR CB A 15 THR OG1 1.0 20.0 100.0 CHI1 112 112 A 23 LEU N A 23 LEU CA A 23 LEU CB A 23 LEU CG 1.0 -100.0 -20.0 CHI1 113 113 A 25 VAL N A 25 VAL CA A 25 VAL CB A 25 VAL CG1 1.0 -100.0 -20.0 CHI1 114 114 A 30 ILE N A 30 ILE CA A 30 ILE CB A 30 ILE CG1 1.0 -100.0 -20.0 CHI1 115 115 A 34 VAL N A 34 VAL CA A 34 VAL CB A 34 VAL CG1 1.0 -220.0 -140.0 CHI1 116 116 A 40 ILE N A 40 ILE CA A 40 ILE CB A 40 ILE CG1 1.0 -100.0 -20.0 CHI1 117 117 A 42 ILE N A 42 ILE CA A 42 ILE CB A 42 ILE CG1 1.0 -100.0 -20.0 CHI1 118 118 A 45 TYR N A 45 TYR CA A 45 TYR CB A 45 TYR CG 1.0 -100.0 -20.0 CHI1 119 119 A 47 ASP N A 47 ASP CA A 47 ASP CB A 47 ASP CG 1.0 20.0 100.0 CHI1 120 120 A 52 CYS N A 52 CYS CA A 52 CYS CB A 52 CYS SG 1.0 -220.0 -140.0 CHI1 stop_ save_ save_CNS/XPLOR_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_6 _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 1 MET C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -139.0 -97.2 PHI 2 2 A 2 LYS N A 2 LYS CA A 2 LYS C A 3 LYS N 1.0 115.4 162.6 PSI 3 3 A 2 LYS C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -124.3 -77.7 PHI 4 4 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 ILE N 1.0 106.1 146.1 PSI 5 5 A 3 LYS C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -151.3 -96.7 PHI 6 6 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 PRO N 1.0 107.9 169.1 PSI 7 7 A 5 PRO N A 5 PRO CA A 5 PRO C A 6 LEU N 1.0 122.8 162.8 PSI 8 8 A 5 PRO C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -76.2 -36.2 PHI 9 9 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 SER N 1.0 -62.0 -22.0 PSI 10 10 A 6 LEU C A 7 SER N A 7 SER CA A 7 SER C 1.0 -83.0 -43.0 PHI 11 11 A 7 SER N A 7 SER CA A 7 SER C A 8 LYS N 1.0 -55.7 -15.7 PSI 12 12 A 7 SER C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -91.1 -51.1 PHI 13 13 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 TYR N 1.0 -58.3 -18.3 PSI 14 14 A 8 LYS C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -83.7 -43.7 PHI 15 15 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 LEU N 1.0 -64.3 -24.3 PSI 16 16 A 9 TYR C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -86.5 -46.5 PHI 17 17 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 GLU N 1.0 -54.6 -14.6 PSI 18 18 A 10 LEU C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -94.1 -50.9 PHI 19 19 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 GLU N 1.0 -53.4 -13.4 PSI 20 20 A 11 GLU C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -126.3 -77.1 PHI 21 21 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 HIS N 1.0 -53.2 7.8 PSI 22 22 A 12 GLU C A 13 HIS N A 13 HIS CA A 13 HIS C 1.0 -136.1 -92.3 PHI 23 23 A 13 HIS N A 13 HIS CA A 13 HIS C A 14 GLY N 1.0 -46.7 19.1 PSI 24 24 A 14 GLY C A 15 THR N A 15 THR CA A 15 THR C 1.0 -165.9 -92.3 PHI 25 25 A 15 THR N A 15 THR CA A 15 THR C A 16 GLN N 1.0 145.1 185.1 PSI 26 26 A 15 THR C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -80.4 -40.4 PHI 27 27 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 SER N 1.0 -60.4 -20.4 PSI 28 28 A 16 GLN C A 17 SER N A 17 SER CA A 17 SER C 1.0 -85.3 -45.3 PHI 29 29 A 17 SER N A 17 SER CA A 17 SER C A 18 ALA N 1.0 -60.6 -20.6 PSI 30 30 A 17 SER C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -86.2 -46.2 PHI 31 31 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 LEU N 1.0 -58.2 -18.2 PSI 32 32 A 18 ALA C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -86.0 -46.0 PHI 33 33 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 ALA N 1.0 -62.9 -22.9 PSI 34 34 A 19 LEU C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -79.5 -39.5 PHI 35 35 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 ALA N 1.0 -63.4 -23.4 PSI 36 36 A 20 ALA C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -85.1 -45.1 PHI 37 37 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 ALA N 1.0 -61.0 -21.0 PSI 38 38 A 21 ALA C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -86.6 -46.6 PHI 39 39 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 LEU N 1.0 -57.5 -17.5 PSI 40 40 A 22 ALA C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -108.1 -68.1 PHI 41 41 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 GLY N 1.0 -33.6 6.4 PSI 42 42 A 23 LEU C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 51.9 91.9 PHI 43 43 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 VAL N 1.0 15.4 55.4 PSI 44 44 A 24 GLY C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -146.3 -106.3 PHI 45 45 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 ASN N 1.0 143.5 183.5 PSI 46 46 A 25 VAL C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -90.7 -50.1 PHI 47 47 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 GLN N 1.0 125.3 165.3 PSI 48 48 A 26 ASN C A 27 GLN N A 27 GLN CA A 27 GLN C 1.0 -78.5 -38.5 PHI 49 49 A 27 GLN N A 27 GLN CA A 27 GLN C A 28 SER N 1.0 -57.6 -17.6 PSI 50 50 A 27 GLN C A 28 SER N A 28 SER CA A 28 SER C 1.0 -85.3 -45.3 PHI 51 51 A 28 SER N A 28 SER CA A 28 SER C A 29 ALA N 1.0 -55.1 -15.1 PSI 52 52 A 28 SER C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -88.7 -48.7 PHI 53 53 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 ILE N 1.0 -58.7 -18.7 PSI 54 54 A 29 ALA C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -87.4 -47.4 PHI 55 55 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 SER N 1.0 -60.6 -20.6 PSI 56 56 A 30 ILE C A 31 SER N A 31 SER CA A 31 SER C 1.0 -84.2 -44.2 PHI 57 57 A 31 SER N A 31 SER CA A 31 SER C A 32 GLN N 1.0 -61.2 -21.2 PSI 58 58 A 31 SER C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -86.7 -46.7 PHI 59 59 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 MET N 1.0 -58.0 -18.0 PSI 60 60 A 32 GLN C A 33 MET N A 33 MET CA A 33 MET C 1.0 -85.7 -45.7 PHI 61 61 A 33 MET N A 33 MET CA A 33 MET C A 34 VAL N 1.0 -63.8 -23.8 PSI 62 62 A 33 MET C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -85.7 -45.7 PHI 63 63 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 ARG N 1.0 -64.0 -24.0 PSI 64 64 A 34 VAL C A 35 ARG N A 35 ARG CA A 35 ARG C 1.0 -85.7 -45.7 PHI 65 65 A 35 ARG N A 35 ARG CA A 35 ARG C A 36 ALA N 1.0 -50.3 -10.3 PSI 66 66 A 35 ARG C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -101.3 -61.3 PHI 67 67 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 GLY N 1.0 -25.2 14.8 PSI 68 68 A 36 ALA C A 37 GLY N A 37 GLY CA A 37 GLY C 1.0 53.8 93.8 PHI 69 69 A 37 GLY N A 37 GLY CA A 37 GLY C A 38 ARG N 1.0 3.7 43.7 PSI 70 70 A 37 GLY C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -102.3 -59.1 PHI 71 71 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 CYS N 1.0 116.9 156.9 PSI 72 72 A 38 ARG C A 39 CYS N A 39 CYS CA A 39 CYS C 1.0 -90.5 -50.5 PHI 73 73 A 39 CYS N A 39 CYS CA A 39 CYS C A 40 ILE N 1.0 115.1 155.1 PSI 74 74 A 39 CYS C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -148.5 -100.5 PHI 75 75 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 ASP N 1.0 112.4 152.4 PSI 76 76 A 40 ILE C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -133.8 -84.0 PHI 77 77 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 ILE N 1.0 103.8 143.8 PSI 78 78 A 41 ASP C A 42 ILE N A 42 ILE CA A 42 ILE C 1.0 -124.8 -84.8 PHI 79 79 A 42 ILE N A 42 ILE CA A 42 ILE C A 43 GLU N 1.0 106.1 146.1 PSI 80 80 A 42 ILE C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -138.9 -73.1 PHI 81 81 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 LEU N 1.0 98.3 151.1 PSI 82 82 A 43 GLU C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -126.5 -86.5 PHI 83 83 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 TYR N 1.0 104.7 146.3 PSI 84 84 A 44 LEU C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -102.1 -62.1 PHI 85 85 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 THR N 1.0 139.0 179.0 PSI 86 86 A 45 TYR C A 46 THR N A 46 THR CA A 46 THR C 1.0 -83.8 -43.8 PHI 87 87 A 46 THR N A 46 THR CA A 46 THR C A 47 ASP N 1.0 -41.0 -1.0 PSI 88 88 A 46 THR C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -105.0 -65.0 PHI 89 89 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 GLY N 1.0 -18.9 21.1 PSI 90 90 A 47 ASP C A 48 GLY N A 48 GLY CA A 48 GLY C 1.0 73.7 113.7 PHI 91 91 A 48 GLY N A 48 GLY CA A 48 GLY C A 49 ARG N 1.0 -28.2 11.8 PSI 92 92 A 48 GLY C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -89.2 -49.2 PHI 93 93 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 VAL N 1.0 122.1 162.1 PSI 94 94 A 49 ARG C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -145.2 -81.4 PHI 95 95 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 GLU N 1.0 114.9 163.5 PSI 96 96 A 50 VAL C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -158.0 -110.4 PHI 97 97 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 CYS N 1.0 126.2 174.6 PSI 98 98 A 51 GLU C A 52 CYS N A 52 CYS CA A 52 CYS C 1.0 -95.1 -55.1 PHI 99 99 A 52 CYS N A 52 CYS CA A 52 CYS C A 53 ARG N 1.0 102.0 158.8 PSI 100 100 A 52 CYS C A 53 ARG N A 53 ARG CA A 53 ARG C 1.0 -81.2 -41.2 PHI 101 101 A 53 ARG N A 53 ARG CA A 53 ARG C A 54 GLU N 1.0 -47.5 -7.5 PSI 102 102 A 53 ARG C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -89.4 -49.4 PHI 103 103 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 LEU N 1.0 -38.2 1.8 PSI 104 104 A 55 LEU C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -99.5 -45.5 PHI 105 105 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 PRO N 1.0 104.0 155.6 PSI 106 106 A 57 PRO N A 57 PRO CA A 57 PRO C A 58 ASP N 1.0 -47.2 -7.2 PSI 107 107 A 57 PRO C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -97.3 -57.3 PHI 108 108 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 VAL N 1.0 -31.3 8.7 PSI 109 109 A 4 ILE N A 4 ILE CA A 4 ILE CB A 4 ILE CG1 1.0 -100.0 -20.0 CHI1 110 110 A 9 TYR N A 9 TYR CA A 9 TYR CB A 9 TYR CG 1.0 140.0 220.0 CHI1 111 111 A 15 THR N A 15 THR CA A 15 THR CB A 15 THR OG1 1.0 20.0 100.0 CHI1 112 112 A 23 LEU N A 23 LEU CA A 23 LEU CB A 23 LEU CG 1.0 -100.0 -20.0 CHI1 113 113 A 25 VAL N A 25 VAL CA A 25 VAL CB A 25 VAL CG1 1.0 -100.0 -20.0 CHI1 114 114 A 30 ILE N A 30 ILE CA A 30 ILE CB A 30 ILE CG1 1.0 -100.0 -20.0 CHI1 115 115 A 34 VAL N A 34 VAL CA A 34 VAL CB A 34 VAL CG1 1.0 140.0 220.0 CHI1 116 116 A 40 ILE N A 40 ILE CA A 40 ILE CB A 40 ILE CG1 1.0 -100.0 -20.0 CHI1 117 117 A 42 ILE N A 42 ILE CA A 42 ILE CB A 42 ILE CG1 1.0 -100.0 -20.0 CHI1 118 118 A 45 TYR N A 45 TYR CA A 45 TYR CB A 45 TYR CG 1.0 -100.0 -20.0 CHI1 119 119 A 47 ASP N A 47 ASP CA A 47 ASP CB A 47 ASP CG 1.0 20.0 100.0 CHI1 120 120 A 52 CYS N A 52 CYS CA A 52 CYS CB A 52 CYS SG 1.0 140.0 220.0 CHI1 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 32 . aliased . . 2 ppm . . 12 . aliased . . 3 ppm . . 12 . . . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 64 . aliased . . 2 ppm . . 12 . aliased . . 3 ppm . . 12 . . . . stop_ save_