data_nef_c19799_2mkx 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 PDB 2MKX 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 0 MET start . . 2 A 1 GLY middle . false 3 A 2 THR middle . . 4 A 3 ASN middle . . 5 A 4 THR middle . . 6 A 5 TYR middle . . 7 A 6 TYR middle . . 8 A 7 THR middle . . 9 A 8 VAL middle . . 10 A 9 LYS middle . . 11 A 10 SER middle . . 12 A 11 GLY middle . false 13 A 12 ASP middle . . 14 A 13 THR middle . . 15 A 14 LEU middle . . 16 A 15 ASN middle . . 17 A 16 LYS middle . . 18 A 17 ILE middle . . 19 A 18 ALA middle . . 20 A 19 ALA middle . . 21 A 20 GLN middle . . 22 A 21 TYR middle . . 23 A 22 GLY middle . false 24 A 23 VAL middle . . 25 A 24 SER middle . . 26 A 25 VAL middle . . 27 A 26 ALA middle . . 28 A 27 ASN middle . . 29 A 28 LEU middle . . 30 A 29 ARG middle . . 31 A 30 SER middle . . 32 A 31 TRP middle . . 33 A 32 ASN middle . . 34 A 33 GLY middle . false 35 A 34 ILE middle . . 36 A 35 SER middle . . 37 A 36 GLY middle . false 38 A 37 ASP middle . . 39 A 38 LEU middle . . 40 A 39 ILE middle . . 41 A 40 PHE middle . . 42 A 41 VAL middle . . 43 A 42 GLY middle . false 44 A 43 GLN middle . . 45 A 44 LYS middle . . 46 A 45 LEU middle . . 47 A 46 ILE middle . . 48 A 47 VAL middle . . 49 A 48 LYS middle . . 50 A 49 LYS middle . . 51 A 50 GLY middle . false 52 A 51 SER middle . . 53 A 52 HIS middle . . 54 A 53 HIS middle . . 55 A 54 HIS middle . . 56 A 55 HIS middle . . 57 A 56 HIS middle . . 58 A 57 HIS 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 1 GLY H H 1 8.466 0.005 A 1 GLY HAy H 1 4.062 0.005 A 1 GLY HAx H 1 3.939 0.005 A 1 GLY C C 13 174.161 0.050 A 1 GLY CA C 13 45.100 0.050 A 1 GLY N N 15 110.903 0.050 A 2 THR H H 1 8.033 0.005 A 2 THR HA H 1 4.349 0.005 A 2 THR HB H 1 4.161 0.005 A 2 THR HG2% H 1 1.148 0.005 A 2 THR C C 13 174.385 0.050 A 2 THR CA C 13 61.412 0.050 A 2 THR CB C 13 70.028 0.050 A 2 THR CG2 C 13 21.575 0.050 A 2 THR N N 15 113.079 0.050 A 3 ASN H H 1 8.403 0.005 A 3 ASN HA H 1 4.797 0.005 A 3 ASN HBx H 1 2.010 0.005 A 3 ASN HBy H 1 2.388 0.005 A 3 ASN HD2x H 1 7.004 0.005 A 3 ASN HD2y H 1 7.166 0.005 A 3 ASN C C 13 174.634 0.050 A 3 ASN CA C 13 52.504 0.050 A 3 ASN CB C 13 39.620 0.050 A 3 ASN CG C 13 175.050 0.050 A 3 ASN N N 15 121.005 0.050 A 3 ASN ND2 N 15 112.240 0.050 A 4 THR H H 1 8.264 0.005 A 4 THR HA H 1 4.349 0.005 A 4 THR HB H 1 3.682 0.005 A 4 THR HG2% H 1 1.140 0.005 A 4 THR C C 13 172.910 0.050 A 4 THR CA C 13 62.524 0.050 A 4 THR CB C 13 69.624 0.050 A 4 THR CG2 C 13 21.475 0.050 A 4 THR N N 15 117.293 0.050 A 5 TYR H H 1 8.887 0.005 A 5 TYR HA H 1 5.537 0.005 A 5 TYR HB2 H 1 2.714 0.005 A 5 TYR HB3 H 1 2.714 0.005 A 5 TYR HD1 H 1 6.900 0.005 A 5 TYR HD2 H 1 6.900 0.005 A 5 TYR HE1 H 1 6.805 0.005 A 5 TYR HE2 H 1 6.805 0.005 A 5 TYR C C 13 174.901 0.050 A 5 TYR CA C 13 56.841 0.050 A 5 TYR CB C 13 41.944 0.050 A 5 TYR CD1 C 13 133.233 0.050 A 5 TYR CD2 C 13 133.233 0.050 A 5 TYR CE1 C 13 118.702 0.050 A 5 TYR CE2 C 13 118.702 0.050 A 5 TYR N N 15 125.362 0.050 A 6 TYR H H 1 9.338 0.005 A 6 TYR HA H 1 4.588 0.005 A 6 TYR HBx H 1 2.329 0.005 A 6 TYR HBy H 1 2.747 0.005 A 6 TYR HD1 H 1 7.004 0.005 A 6 TYR HD2 H 1 7.004 0.005 A 6 TYR HE1 H 1 6.906 0.005 A 6 TYR HE2 H 1 6.906 0.005 A 6 TYR C C 13 173.568 0.050 A 6 TYR CA C 13 57.479 0.050 A 6 TYR CB C 13 44.163 0.050 A 6 TYR CD1 C 13 132.664 0.050 A 6 TYR CD2 C 13 132.664 0.050 A 6 TYR CE1 C 13 118.330 0.050 A 6 TYR CE2 C 13 118.330 0.050 A 6 TYR N N 15 123.590 0.050 A 7 THR H H 1 7.482 0.005 A 7 THR HA H 1 4.701 0.005 A 7 THR HB H 1 3.615 0.005 A 7 THR HG2% H 1 0.915 0.005 A 7 THR C C 13 172.279 0.050 A 7 THR CA C 13 61.635 0.050 A 7 THR CB C 13 68.780 0.050 A 7 THR CG2 C 13 21.374 0.050 A 7 THR N N 15 124.727 0.050 A 8 VAL H H 1 8.660 0.005 A 8 VAL HA H 1 3.740 0.005 A 8 VAL HB H 1 2.306 0.005 A 8 VAL HGx% H 1 0.845 0.005 A 8 VAL HGy% H 1 1.079 0.005 A 8 VAL C C 13 176.689 0.050 A 8 VAL CA C 13 64.690 0.050 A 8 VAL CB C 13 31.937 0.050 A 8 VAL CGx C 13 23.029 0.050 A 8 VAL CGy C 13 24.015 0.050 A 8 VAL N N 15 126.420 0.050 A 9 LYS H H 1 9.297 0.005 A 9 LYS HA H 1 4.670 0.005 A 9 LYS HBx H 1 1.836 0.005 A 9 LYS HBy H 1 1.850 0.005 A 9 LYS HD2 H 1 1.738 0.005 A 9 LYS HD3 H 1 1.738 0.005 A 9 LYS HE2 H 1 3.118 0.005 A 9 LYS HE3 H 1 3.118 0.005 A 9 LYS HGx H 1 1.474 0.005 A 9 LYS HGy H 1 1.580 0.005 A 9 LYS C C 13 176.438 0.050 A 9 LYS CA C 13 54.415 0.050 A 9 LYS CB C 13 35.596 0.050 A 9 LYS CD C 13 29.033 0.050 A 9 LYS CE C 13 42.339 0.050 A 9 LYS CG C 13 24.301 0.050 A 9 LYS N N 15 130.614 0.050 A 10 SER H H 1 8.766 0.005 A 10 SER HA H 1 4.050 0.005 A 10 SER HB2 H 1 3.848 0.005 A 10 SER HB3 H 1 3.848 0.005 A 10 SER C C 13 175.932 0.050 A 10 SER CA C 13 60.451 0.050 A 10 SER CB C 13 62.680 0.050 A 10 SER N N 15 116.022 0.050 A 11 GLY H H 1 9.067 0.005 A 11 GLY HAx H 1 3.668 0.005 A 11 GLY HAy H 1 4.398 0.005 A 11 GLY C C 13 174.938 0.050 A 11 GLY CA C 13 45.090 0.050 A 11 GLY N N 15 116.079 0.050 A 12 ASP H H 1 7.963 0.005 A 12 ASP HA H 1 4.613 0.005 A 12 ASP HBx H 1 2.457 0.005 A 12 ASP HBy H 1 3.196 0.005 A 12 ASP C C 13 176.265 0.050 A 12 ASP CA C 13 56.030 0.050 A 12 ASP CB C 13 41.845 0.050 A 12 ASP N N 15 120.579 0.050 A 13 THR H H 1 6.809 0.005 A 13 THR HA H 1 4.657 0.005 A 13 THR HB H 1 4.590 0.005 A 13 THR HG2% H 1 1.271 0.005 A 13 THR C C 13 174.774 0.050 A 13 THR CA C 13 58.612 0.050 A 13 THR CB C 13 72.416 0.050 A 13 THR CG2 C 13 21.831 0.050 A 13 THR N N 15 106.911 0.050 A 14 LEU H H 1 9.478 0.005 A 14 LEU HA H 1 3.900 0.005 A 14 LEU HBx H 1 1.533 0.005 A 14 LEU HBy H 1 1.752 0.005 A 14 LEU HDx% H 1 0.809 0.005 A 14 LEU HDy% H 1 0.896 0.005 A 14 LEU HG H 1 1.696 0.005 A 14 LEU C C 13 178.071 0.050 A 14 LEU CA C 13 58.460 0.050 A 14 LEU CB C 13 41.774 0.050 A 14 LEU CDx C 13 24.936 0.050 A 14 LEU CDy C 13 25.972 0.050 A 14 LEU CG C 13 27.091 0.050 A 14 LEU N N 15 122.612 0.050 A 15 ASN H H 1 8.471 0.005 A 15 ASN HA H 1 4.143 0.005 A 15 ASN HBx H 1 2.654 0.005 A 15 ASN HBy H 1 2.678 0.005 A 15 ASN HD2x H 1 7.011 0.005 A 15 ASN HD2y H 1 7.689 0.005 A 15 ASN C C 13 177.943 0.050 A 15 ASN CA C 13 56.545 0.050 A 15 ASN CB C 13 38.146 0.050 A 15 ASN CG C 13 177.170 0.050 A 15 ASN N N 15 114.945 0.050 A 15 ASN ND2 N 15 113.020 0.050 A 16 LYS H H 1 7.725 0.005 A 16 LYS HA H 1 4.033 0.005 A 16 LYS HBx H 1 1.897 0.005 A 16 LYS HBy H 1 1.960 0.005 A 16 LYS HDx H 1 1.755 0.005 A 16 LYS HDy H 1 1.772 0.005 A 16 LYS HEx H 1 2.997 0.005 A 16 LYS HEy H 1 3.039 0.005 A 16 LYS HGx H 1 1.435 0.005 A 16 LYS HGy H 1 1.580 0.005 A 16 LYS C C 13 179.167 0.050 A 16 LYS CA C 13 59.702 0.050 A 16 LYS CB C 13 33.492 0.050 A 16 LYS CD C 13 29.976 0.050 A 16 LYS CE C 13 42.297 0.050 A 16 LYS CG C 13 25.293 0.050 A 16 LYS N N 15 121.113 0.050 A 17 ILE H H 1 7.933 0.005 A 17 ILE HA H 1 3.510 0.005 A 17 ILE HB H 1 1.564 0.005 A 17 ILE HD1% H 1 0.810 0.005 A 17 ILE HG1x H 1 0.784 0.005 A 17 ILE HG1y H 1 1.818 0.005 A 17 ILE HG2% H 1 0.589 0.005 A 17 ILE C C 13 177.445 0.050 A 17 ILE CA C 13 65.182 0.050 A 17 ILE CB C 13 38.638 0.050 A 17 ILE CD1 C 13 15.480 0.050 A 17 ILE CG1 C 13 28.126 0.050 A 17 ILE CG2 C 13 18.050 0.050 A 17 ILE N N 15 121.712 0.050 A 18 ALA H H 1 8.401 0.005 A 18 ALA HA H 1 3.842 0.005 A 18 ALA HB% H 1 1.416 0.005 A 18 ALA C C 13 179.665 0.050 A 18 ALA CA C 13 55.480 0.050 A 18 ALA CB C 13 18.033 0.050 A 18 ALA N N 15 121.562 0.050 A 19 ALA H H 1 7.500 0.005 A 19 ALA HA H 1 4.166 0.005 A 19 ALA HB% H 1 1.478 0.005 A 19 ALA C C 13 180.714 0.050 A 19 ALA CA C 13 54.508 0.050 A 19 ALA CB C 13 18.049 0.050 A 19 ALA N N 15 117.623 0.050 A 20 GLN H H 1 7.941 0.005 A 20 GLN HA H 1 3.856 0.005 A 20 GLN HBx H 1 1.881 0.005 A 20 GLN HBy H 1 2.056 0.005 A 20 GLN HE2x H 1 6.575 0.005 A 20 GLN HE2y H 1 6.963 0.005 A 20 GLN HGx H 1 1.725 0.005 A 20 GLN HGy H 1 1.964 0.005 A 20 GLN C C 13 177.608 0.050 A 20 GLN CA C 13 58.470 0.050 A 20 GLN CB C 13 28.282 0.050 A 20 GLN CD C 13 179.340 0.050 A 20 GLN CG C 13 33.213 0.050 A 20 GLN N N 15 118.679 0.050 A 20 GLN NE2 N 15 110.150 0.050 A 21 TYR H H 1 7.669 0.005 A 21 TYR HA H 1 4.366 0.005 A 21 TYR HBx H 1 2.500 0.005 A 21 TYR HBy H 1 3.352 0.005 A 21 TYR HD1 H 1 7.169 0.005 A 21 TYR HD2 H 1 7.169 0.005 A 21 TYR HE1 H 1 6.447 0.005 A 21 TYR HE2 H 1 6.447 0.005 A 21 TYR C C 13 175.496 0.050 A 21 TYR CA C 13 60.036 0.050 A 21 TYR CB C 13 39.198 0.050 A 21 TYR CD1 C 13 132.992 0.050 A 21 TYR CD2 C 13 132.992 0.050 A 21 TYR CE1 C 13 118.621 0.050 A 21 TYR CE2 C 13 118.621 0.050 A 21 TYR N N 15 113.907 0.050 A 22 GLY H H 1 7.949 0.005 A 22 GLY HAx H 1 3.948 0.005 A 22 GLY HAy H 1 3.991 0.005 A 22 GLY C C 13 174.783 0.050 A 22 GLY CA C 13 47.450 0.050 A 22 GLY N N 15 111.326 0.050 A 23 VAL H H 1 8.040 0.005 A 23 VAL HA H 1 4.807 0.005 A 23 VAL HB H 1 2.354 0.005 A 23 VAL HGx% H 1 0.926 0.005 A 23 VAL HGy% H 1 1.200 0.005 A 23 VAL C C 13 173.768 0.050 A 23 VAL CA C 13 58.434 0.050 A 23 VAL CB C 13 34.961 0.050 A 23 VAL CGx C 13 18.653 0.050 A 23 VAL CGy C 13 21.443 0.050 A 23 VAL N N 15 113.949 0.050 A 24 SER H H 1 8.269 0.005 A 24 SER HA H 1 4.655 0.005 A 24 SER HBx H 1 3.850 0.005 A 24 SER HBy H 1 4.226 0.005 A 24 SER C C 13 176.015 0.050 A 24 SER CA C 13 56.111 0.050 A 24 SER CB C 13 65.385 0.050 A 24 SER N N 15 115.672 0.050 A 25 VAL H H 1 8.866 0.005 A 25 VAL HA H 1 3.377 0.005 A 25 VAL HB H 1 1.913 0.005 A 25 VAL HGx% H 1 0.867 0.005 A 25 VAL HGy% H 1 0.956 0.005 A 25 VAL C C 13 177.775 0.050 A 25 VAL CA C 13 67.140 0.050 A 25 VAL CB C 13 31.370 0.050 A 25 VAL CGx C 13 21.557 0.050 A 25 VAL CGy C 13 22.954 0.050 A 25 VAL N N 15 122.227 0.050 A 26 ALA H H 1 8.218 0.005 A 26 ALA HA H 1 3.914 0.005 A 26 ALA HB% H 1 1.287 0.005 A 26 ALA C C 13 180.692 0.050 A 26 ALA CA C 13 55.312 0.050 A 26 ALA CB C 13 17.825 0.050 A 26 ALA N N 15 120.890 0.050 A 27 ASN H H 1 7.846 0.005 A 27 ASN HA H 1 3.703 0.005 A 27 ASN HBx H 1 0.366 0.005 A 27 ASN HBy H 1 2.268 0.005 A 27 ASN HD2x H 1 7.054 0.005 A 27 ASN HD2y H 1 7.267 0.005 A 27 ASN C C 13 175.308 0.050 A 27 ASN CA C 13 55.220 0.050 A 27 ASN CB C 13 36.864 0.050 A 27 ASN N N 15 118.099 0.050 A 27 ASN ND2 N 15 110.379 0.050 A 28 LEU H H 1 7.475 0.005 A 28 LEU HA H 1 3.743 0.005 A 28 LEU HBx H 1 1.155 0.005 A 28 LEU HBy H 1 1.984 0.005 A 28 LEU HDx% H 1 0.938 0.005 A 28 LEU HDy% H 1 0.771 0.005 A 28 LEU HG H 1 1.712 0.005 A 28 LEU C C 13 181.142 0.050 A 28 LEU CA C 13 58.257 0.050 A 28 LEU CB C 13 42.085 0.050 A 28 LEU CDx C 13 25.025 0.050 A 28 LEU CDy C 13 27.276 0.050 A 28 LEU CG C 13 26.247 0.050 A 28 LEU N N 15 116.512 0.050 A 29 ARG H H 1 8.571 0.005 A 29 ARG HA H 1 3.952 0.005 A 29 ARG HB2 H 1 2.038 0.005 A 29 ARG HB3 H 1 2.038 0.005 A 29 ARG HDx H 1 3.026 0.005 A 29 ARG HDy H 1 3.154 0.005 A 29 ARG HE H 1 7.326 0.005 A 29 ARG HGx H 1 1.306 0.005 A 29 ARG HGy H 1 1.775 0.005 A 29 ARG C C 13 178.818 0.050 A 29 ARG CA C 13 60.783 0.050 A 29 ARG CB C 13 30.060 0.050 A 29 ARG CD C 13 43.648 0.050 A 29 ARG CG C 13 28.995 0.050 A 29 ARG N N 15 117.344 0.050 A 29 ARG NE N 15 85.230 0.050 A 30 SER H H 1 7.995 0.005 A 30 SER HA H 1 4.255 0.005 A 30 SER HB2 H 1 3.878 0.005 A 30 SER HB3 H 1 3.878 0.005 A 30 SER C C 13 178.552 0.050 A 30 SER CA C 13 61.314 0.050 A 30 SER CB C 13 62.982 0.050 A 30 SER N N 15 114.887 0.050 A 31 TRP H H 1 9.055 0.005 A 31 TRP HA H 1 4.785 0.005 A 31 TRP HBx H 1 2.953 0.005 A 31 TRP HBy H 1 3.199 0.005 A 31 TRP HD1 H 1 7.150 0.005 A 31 TRP HE1 H 1 10.123 0.005 A 31 TRP HE3 H 1 7.201 0.005 A 31 TRP HH2 H 1 7.200 0.005 A 31 TRP HZ2 H 1 7.404 0.005 A 31 TRP HZ3 H 1 6.777 0.005 A 31 TRP C C 13 177.570 0.050 A 31 TRP CA C 13 57.005 0.050 A 31 TRP CB C 13 29.928 0.050 A 31 TRP CD1 C 13 123.860 0.050 A 31 TRP CE3 C 13 120.182 0.050 A 31 TRP CH2 C 13 124.167 0.050 A 31 TRP CZ2 C 13 114.226 0.050 A 31 TRP CZ3 C 13 120.867 0.050 A 31 TRP N N 15 119.302 0.050 A 31 TRP NE1 N 15 127.602 0.050 A 32 ASN H H 1 7.232 0.005 A 32 ASN HA H 1 5.104 0.005 A 32 ASN HBx H 1 2.760 0.005 A 32 ASN HBy H 1 2.912 0.005 A 32 ASN HD2x H 1 8.895 0.005 A 32 ASN HD2y H 1 9.032 0.005 A 32 ASN C C 13 174.034 0.050 A 32 ASN CA C 13 53.550 0.050 A 32 ASN CB C 13 42.065 0.050 A 32 ASN CG C 13 178.830 0.050 A 32 ASN N N 15 109.665 0.050 A 32 ASN ND2 N 15 118.616 0.050 A 33 GLY H H 1 7.864 0.005 A 33 GLY HAx H 1 3.969 0.005 A 33 GLY HAy H 1 4.074 0.005 A 33 GLY C C 13 174.930 0.050 A 33 GLY CA C 13 47.611 0.050 A 33 GLY N N 15 111.582 0.050 A 34 ILE H H 1 7.918 0.005 A 34 ILE HA H 1 4.216 0.005 A 34 ILE HB H 1 1.607 0.005 A 34 ILE HD1% H 1 0.762 0.005 A 34 ILE HG1x H 1 1.115 0.005 A 34 ILE HG1y H 1 1.406 0.005 A 34 ILE HG2% H 1 0.808 0.005 A 34 ILE C C 13 175.882 0.050 A 34 ILE CA C 13 60.719 0.050 A 34 ILE CB C 13 40.553 0.050 A 34 ILE CD1 C 13 13.913 0.050 A 34 ILE CG1 C 13 27.396 0.050 A 34 ILE CG2 C 13 17.277 0.050 A 34 ILE N N 15 118.759 0.050 A 35 SER H H 1 8.801 0.005 A 35 SER HA H 1 4.583 0.005 A 35 SER HB2 H 1 3.841 0.005 A 35 SER HB3 H 1 3.841 0.005 A 35 SER C C 13 174.848 0.050 A 35 SER CA C 13 57.461 0.050 A 35 SER CB C 13 63.929 0.050 A 35 SER N N 15 122.217 0.050 A 36 GLY H H 1 8.614 0.005 A 36 GLY HAx H 1 3.803 0.005 A 36 GLY HAy H 1 3.825 0.005 A 36 GLY C C 13 173.365 0.050 A 36 GLY CA C 13 46.088 0.050 A 36 GLY N N 15 114.644 0.050 A 37 ASP H H 1 8.537 0.005 A 37 ASP HA H 1 4.910 0.005 A 37 ASP HBx H 1 2.442 0.005 A 37 ASP HBy H 1 2.882 0.005 A 37 ASP C C 13 175.986 0.050 A 37 ASP CA C 13 53.560 0.050 A 37 ASP CB C 13 41.958 0.050 A 37 ASP N N 15 122.530 0.050 A 38 LEU H H 1 7.602 0.005 A 38 LEU HA H 1 4.329 0.005 A 38 LEU HB2 H 1 1.668 0.005 A 38 LEU HB3 H 1 1.668 0.005 A 38 LEU HD1% H 1 0.920 0.005 A 38 LEU HD2% H 1 0.920 0.005 A 38 LEU HG H 1 1.482 0.005 A 38 LEU C C 13 175.373 0.050 A 38 LEU CA C 13 56.291 0.050 A 38 LEU CB C 13 41.868 0.050 A 38 LEU CD1 C 13 24.417 0.050 A 38 LEU CD2 C 13 24.417 0.050 A 38 LEU CG C 13 26.850 0.050 A 38 LEU N N 15 121.818 0.050 A 39 ILE H H 1 7.708 0.005 A 39 ILE HA H 1 4.898 0.005 A 39 ILE HB H 1 1.834 0.005 A 39 ILE HD1% H 1 0.595 0.005 A 39 ILE HG1x H 1 1.127 0.005 A 39 ILE HG1y H 1 1.242 0.005 A 39 ILE HG2% H 1 0.801 0.005 A 39 ILE C C 13 174.861 0.050 A 39 ILE CA C 13 59.354 0.050 A 39 ILE CB C 13 42.014 0.050 A 39 ILE CD1 C 13 14.072 0.050 A 39 ILE CG1 C 13 23.891 0.050 A 39 ILE CG2 C 13 18.679 0.050 A 39 ILE N N 15 118.291 0.050 A 40 PHE H H 1 8.195 0.005 A 40 PHE HA H 1 5.051 0.005 A 40 PHE HBx H 1 2.894 0.005 A 40 PHE HBy H 1 3.015 0.005 A 40 PHE HD1 H 1 7.174 0.005 A 40 PHE HD2 H 1 7.174 0.005 A 40 PHE HE1 H 1 7.276 0.005 A 40 PHE HE2 H 1 7.276 0.005 A 40 PHE HZ H 1 7.311 0.005 A 40 PHE C C 13 174.537 0.050 A 40 PHE CA C 13 55.438 0.050 A 40 PHE CB C 13 41.980 0.050 A 40 PHE CD1 C 13 131.044 0.050 A 40 PHE CD2 C 13 131.044 0.050 A 40 PHE CE1 C 13 131.007 0.050 A 40 PHE CE2 C 13 131.007 0.050 A 40 PHE CZ C 13 129.688 0.050 A 40 PHE N N 15 118.274 0.050 A 41 VAL H H 1 8.680 0.005 A 41 VAL HA H 1 3.220 0.005 A 41 VAL HB H 1 1.982 0.005 A 41 VAL HGx% H 1 0.971 0.005 A 41 VAL HGy% H 1 1.017 0.005 A 41 VAL C C 13 177.510 0.050 A 41 VAL CA C 13 65.647 0.050 A 41 VAL CB C 13 31.030 0.050 A 41 VAL CGx C 13 21.320 0.050 A 41 VAL CGy C 13 22.636 0.050 A 41 VAL N N 15 121.812 0.050 A 42 GLY H H 1 8.815 0.005 A 42 GLY HAx H 1 3.366 0.005 A 42 GLY HAy H 1 4.457 0.005 A 42 GLY C C 13 173.772 0.050 A 42 GLY CA C 13 44.662 0.050 A 42 GLY N N 15 116.069 0.050 A 43 GLN H H 1 8.038 0.005 A 43 GLN HA H 1 3.859 0.005 A 43 GLN HBx H 1 1.098 0.005 A 43 GLN HBy H 1 1.842 0.005 A 43 GLN HE2x H 1 6.375 0.005 A 43 GLN HE2y H 1 7.473 0.005 A 43 GLN HGx H 1 1.996 0.005 A 43 GLN HGy H 1 2.224 0.005 A 43 GLN C C 13 174.324 0.050 A 43 GLN CA C 13 56.855 0.050 A 43 GLN CB C 13 29.033 0.050 A 43 GLN CD C 13 178.290 0.050 A 43 GLN CG C 13 33.125 0.050 A 43 GLN N N 15 124.343 0.050 A 43 GLN NE2 N 15 106.126 0.050 A 44 LYS H H 1 8.633 0.005 A 44 LYS HA H 1 4.853 0.005 A 44 LYS HBx H 1 1.639 0.005 A 44 LYS HBy H 1 1.693 0.005 A 44 LYS HD2 H 1 1.392 0.005 A 44 LYS HD3 H 1 1.392 0.005 A 44 LYS HEx H 1 2.554 0.005 A 44 LYS HEy H 1 2.595 0.005 A 44 LYS HGx H 1 1.231 0.005 A 44 LYS HGy H 1 1.339 0.005 A 44 LYS C C 13 176.019 0.050 A 44 LYS CA C 13 55.541 0.050 A 44 LYS CB C 13 33.008 0.050 A 44 LYS CD C 13 29.233 0.050 A 44 LYS CE C 13 41.597 0.050 A 44 LYS CG C 13 25.034 0.050 A 44 LYS N N 15 126.564 0.050 A 45 LEU H H 1 9.458 0.005 A 45 LEU HA H 1 4.719 0.005 A 45 LEU HBx H 1 1.238 0.005 A 45 LEU HBy H 1 1.728 0.005 A 45 LEU HDx% H 1 0.756 0.005 A 45 LEU HDy% H 1 0.736 0.005 A 45 LEU HG H 1 1.608 0.005 A 45 LEU C C 13 176.670 0.050 A 45 LEU CA C 13 53.094 0.050 A 45 LEU CB C 13 45.102 0.050 A 45 LEU CDx C 13 23.465 0.050 A 45 LEU CDy C 13 26.894 0.050 A 45 LEU CG C 13 26.877 0.050 A 45 LEU N N 15 126.114 0.050 A 46 ILE H H 1 10.038 0.005 A 46 ILE HA H 1 3.858 0.005 A 46 ILE HB H 1 1.569 0.005 A 46 ILE HD1% H 1 0.811 0.005 A 46 ILE HG1x H 1 0.431 0.005 A 46 ILE HG1y H 1 1.740 0.005 A 46 ILE HG2% H 1 0.365 0.005 A 46 ILE C C 13 176.810 0.050 A 46 ILE CA C 13 62.646 0.050 A 46 ILE CB C 13 39.156 0.050 A 46 ILE CD1 C 13 14.154 0.050 A 46 ILE CG1 C 13 29.335 0.050 A 46 ILE CG2 C 13 17.412 0.050 A 46 ILE N N 15 123.782 0.050 A 47 VAL H H 1 8.268 0.005 A 47 VAL HA H 1 4.507 0.005 A 47 VAL HB H 1 1.636 0.005 A 47 VAL HGx% H 1 -0.351 0.005 A 47 VAL HGy% H 1 0.405 0.005 A 47 VAL C C 13 173.753 0.050 A 47 VAL CA C 13 60.631 0.050 A 47 VAL CB C 13 32.918 0.050 A 47 VAL CGx C 13 17.532 0.050 A 47 VAL CGy C 13 22.057 0.050 A 47 VAL N N 15 117.819 0.050 A 48 LYS H H 1 6.778 0.005 A 48 LYS HA H 1 4.028 0.005 A 48 LYS HBx H 1 1.549 0.005 A 48 LYS HBy H 1 1.615 0.005 A 48 LYS HD2 H 1 1.694 0.005 A 48 LYS HD3 H 1 1.694 0.005 A 48 LYS HE2 H 1 3.006 0.005 A 48 LYS HE3 H 1 3.006 0.005 A 48 LYS HG2 H 1 1.312 0.005 A 48 LYS HG3 H 1 1.312 0.005 A 48 LYS C C 13 174.214 0.050 A 48 LYS CA C 13 57.313 0.050 A 48 LYS CB C 13 35.472 0.050 A 48 LYS CD C 13 29.364 0.050 A 48 LYS CE C 13 42.202 0.050 A 48 LYS CG C 13 25.045 0.050 A 48 LYS N N 15 118.041 0.050 A 49 LYS H H 1 7.204 0.005 A 49 LYS HA H 1 4.183 0.005 A 49 LYS HBx H 1 0.497 0.005 A 49 LYS HBy H 1 1.083 0.005 A 49 LYS HD2 H 1 0.977 0.005 A 49 LYS HD3 H 1 0.977 0.005 A 49 LYS HEx H 1 2.337 0.005 A 49 LYS HEy H 1 2.498 0.005 A 49 LYS HGx H 1 0.380 0.005 A 49 LYS HGy H 1 0.601 0.005 A 49 LYS C C 13 176.704 0.050 A 49 LYS CA C 13 54.753 0.050 A 49 LYS CB C 13 33.181 0.050 A 49 LYS CD C 13 28.870 0.050 A 49 LYS CE C 13 41.738 0.050 A 49 LYS CG C 13 24.264 0.050 A 49 LYS N N 15 124.877 0.050 A 50 GLY H H 1 8.363 0.005 A 50 GLY HAx H 1 3.627 0.005 A 50 GLY HAy H 1 3.940 0.005 A 50 GLY C C 13 173.665 0.050 A 50 GLY CA C 13 45.138 0.050 A 50 GLY N N 15 112.262 0.050 A 51 SER H H 1 8.248 0.005 A 51 SER HA H 1 4.402 0.005 A 51 SER HBx H 1 3.701 0.005 A 51 SER HBy H 1 3.739 0.005 A 51 SER C C 13 174.272 0.050 A 51 SER CA C 13 57.898 0.050 A 51 SER CB C 13 64.175 0.050 A 51 SER N N 15 115.215 0.050 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 2 THR HA A 3 ASN H 1.0 1.8 6.0 2 2 A 3 ASN H A 2 THR HG2% 1.0 1.8 6.0 3 3 A 3 ASN HA A 4 THR H 1.0 1.8 6.0 4 4 A 4 THR H A 3 ASN HBx 1.0 1.8 6.0 5 4 A 4 THR H A 3 ASN HBy 1.0 1.8 6.0 6 5 A 5 TYR HE% A 3 ASN HBx 1.0 1.8 6.0 7 5 A 3 ASN HBy A 5 TYR HE% 1.0 1.8 6.0 8 6 A 46 ILE HG2% A 3 ASN HBx 1.0 1.8 3.4 9 6 A 3 ASN HBy A 46 ILE HG2% 1.0 1.8 3.4 10 7 A 46 ILE HD1% A 3 ASN HD2y 1.0 1.8 6.0 11 7 A 3 ASN HD2x A 46 ILE HD1% 1.0 1.8 6.0 12 8 A 4 THR HA A 5 TYR H 1.0 1.8 3.4 13 9 A 5 TYR H A 4 THR HB 1.0 1.8 6.0 14 10 A 5 TYR H A 4 THR HG2% 1.0 1.8 6.0 15 11 A 4 THR HG2% A 21 TYR HD% 1.0 1.8 6.0 16 12 A 4 THR HG2% A 21 TYR HE% 1.0 1.8 6.0 17 13 A 4 THR HB A 47 VAL HGx% 1.0 1.8 3.4 18 13 A 4 THR HB A 47 VAL HGy% 1.0 1.8 3.4 19 14 A 4 THR HG2% A 47 VAL HGx% 1.0 1.8 2.8 20 14 A 4 THR HG2% A 47 VAL HGy% 1.0 1.8 2.8 21 15 A 4 THR HB A 48 LYS HBx 1.0 1.8 3.4 22 15 A 4 THR HB A 48 LYS HBy 1.0 1.8 3.4 23 16 A 4 THR HB A 48 LYS HG2 1.0 1.8 6.0 24 16 A 4 THR HB A 48 LYS HG3 1.0 1.8 6.0 25 17 A 4 THR HB A 48 LYS H 1.0 1.8 6.0 26 18 A 4 THR H A 48 LYS HBx 1.0 1.8 6.0 27 18 A 4 THR H A 48 LYS HBy 1.0 1.8 6.0 28 19 A 5 TYR HA A 5 TYR HD% 1.0 1.8 4.0 29 20 A 5 TYR HD% A 5 TYR HB2 1.0 1.8 2.8 30 20 A 5 TYR HD% A 5 TYR HB3 1.0 1.8 2.8 31 21 A 5 TYR H A 5 TYR HD% 1.0 1.8 6.0 32 22 A 5 TYR HA A 6 TYR H 1.0 1.8 3.4 33 23 A 6 TYR H A 5 TYR HB2 1.0 1.8 3.4 34 23 A 5 TYR HB3 A 6 TYR H 1.0 1.8 3.4 35 24 A 5 TYR HD% A 6 TYR H 1.0 1.8 6.0 36 25 A 5 TYR HB2 A 44 LYS HD2 1.0 1.8 3.4 37 25 A 5 TYR HB3 A 44 LYS HD2 1.0 1.8 3.4 38 25 A 44 LYS HD3 A 5 TYR HB2 1.0 1.8 3.4 39 25 A 5 TYR HB3 A 44 LYS HD3 1.0 1.8 3.4 40 26 A 5 TYR HB3 A 44 LYS HGx 1.0 1.8 3.4 41 26 A 5 TYR HB2 A 44 LYS HGx 1.0 1.8 3.4 42 26 A 44 LYS HGy A 5 TYR HB2 1.0 1.8 3.4 43 26 A 5 TYR HB3 A 44 LYS HGy 1.0 1.8 3.4 44 27 A 5 TYR HD% A 44 LYS HBx 1.0 1.8 6.0 45 27 A 5 TYR HD% A 44 LYS HBy 1.0 1.8 6.0 46 28 A 5 TYR HD% A 44 LYS HD2 1.0 1.8 6.0 47 28 A 5 TYR HD% A 44 LYS HD3 1.0 1.8 6.0 48 29 A 5 TYR HD% A 44 LYS HGx 1.0 1.8 6.0 49 29 A 5 TYR HD% A 44 LYS HGy 1.0 1.8 6.0 50 30 A 5 TYR HE% A 44 LYS HGx 1.0 1.8 6.0 51 30 A 5 TYR HE% A 44 LYS HGy 1.0 1.8 6.0 52 31 A 5 TYR HA A 45 LEU H 1.0 1.8 6.0 53 32 A 5 TYR HD% A 45 LEU H 1.0 1.8 6.0 54 33 A 5 TYR HA A 46 ILE HA 1.0 1.8 3.4 55 34 A 5 TYR HD% A 46 ILE HG1x 1.0 1.8 6.0 56 34 A 5 TYR HD% A 46 ILE HG1y 1.0 1.8 6.0 57 35 A 5 TYR HD% A 46 ILE H 1.0 1.8 6.0 58 36 A 5 TYR HE% A 46 ILE HG1x 1.0 1.8 6.0 59 36 A 5 TYR HE% A 46 ILE HG1y 1.0 1.8 6.0 60 37 A 5 TYR HE% A 46 ILE HD1% 1.0 1.8 6.0 61 38 A 5 TYR HA A 47 VAL H 1.0 1.8 6.0 62 39 A 47 VAL H A 5 TYR HB2 1.0 1.8 6.0 63 39 A 5 TYR HB3 A 47 VAL H 1.0 1.8 6.0 64 40 A 5 TYR H A 47 VAL HGx% 1.0 1.8 6.0 65 40 A 5 TYR H A 47 VAL HGy% 1.0 1.8 6.0 66 41 A 48 LYS H A 5 TYR HA 1.0 1.8 6.0 67 42 A 6 TYR HD% A 6 TYR HBx 1.0 1.8 3.4 68 42 A 6 TYR HBy A 6 TYR HD% 1.0 1.8 3.4 69 43 A 6 TYR H A 6 TYR HD% 1.0 1.8 6.0 70 44 A 6 TYR HA A 7 THR H 1.0 1.8 2.8 71 45 A 7 THR H A 6 TYR HBx 1.0 1.8 6.0 72 45 A 6 TYR HBy A 7 THR H 1.0 1.8 6.0 73 46 A 6 TYR HD% A 7 THR H 1.0 1.8 6.0 74 47 A 6 TYR H A 7 THR H 1.0 1.8 6.0 75 48 A 6 TYR HD% A 8 VAL HGx% 1.0 1.8 3.4 76 48 A 6 TYR HD% A 8 VAL HGy% 1.0 1.8 3.4 77 49 A 6 TYR HE% A 8 VAL HA 1.0 1.8 3.4 78 50 A 6 TYR HE% A 8 VAL HGx% 1.0 1.8 6.0 79 50 A 8 VAL HGy% A 6 TYR HE% 1.0 1.8 6.0 80 51 A 6 TYR HE% A 8 VAL H 1.0 1.8 6.0 81 52 A 6 TYR HE% A 9 LYS H 1.0 1.8 6.0 82 53 A 6 TYR HD% A 17 ILE HD1% 1.0 1.8 6.0 83 54 A 6 TYR HD% A 17 ILE HG1x 1.0 1.8 6.0 84 54 A 6 TYR HD% A 17 ILE HG1y 1.0 1.8 6.0 85 55 A 6 TYR HD% A 17 ILE HG2% 1.0 1.8 6.0 86 56 A 6 TYR HE% A 17 ILE HD1% 1.0 1.8 2.8 87 57 A 6 TYR HE% A 17 ILE HG2% 1.0 1.8 6.0 88 58 A 6 TYR HE% A 17 ILE HG1x 1.0 1.8 6.0 89 58 A 6 TYR HE% A 17 ILE HG1y 1.0 1.8 6.0 90 59 A 21 TYR HE% A 6 TYR HBx 1.0 1.8 6.0 91 59 A 21 TYR HE% A 6 TYR HBy 1.0 1.8 6.0 92 60 A 21 TYR HE% A 6 TYR HD% 1.0 1.8 6.0 93 61 A 21 TYR HE% A 6 TYR HE% 1.0 1.8 6.0 94 62 A 45 LEU H A 6 TYR HBx 1.0 1.8 6.0 95 62 A 45 LEU H A 6 TYR HBy 1.0 1.8 6.0 96 63 A 6 TYR HD% A 45 LEU HDx% 1.0 1.8 6.0 97 63 A 6 TYR HD% A 45 LEU HDy% 1.0 1.8 6.0 98 64 A 45 LEU H A 6 TYR HD% 1.0 1.8 6.0 99 65 A 6 TYR HE% A 45 LEU HDx% 1.0 1.8 6.0 100 65 A 6 TYR HE% A 45 LEU HDy% 1.0 1.8 6.0 101 66 A 6 TYR H A 45 LEU HBx 1.0 1.8 6.0 102 66 A 6 TYR H A 45 LEU HBy 1.0 1.8 6.0 103 67 A 6 TYR H A 45 LEU HDx% 1.0 1.8 6.0 104 67 A 6 TYR H A 45 LEU HDy% 1.0 1.8 6.0 105 68 A 6 TYR H A 46 ILE HA 1.0 1.8 6.0 106 69 A 6 TYR HBx A 47 VAL HGx% 1.0 1.8 3.4 107 69 A 6 TYR HBy A 47 VAL HGx% 1.0 1.8 3.4 108 69 A 47 VAL HGy% A 6 TYR HBx 1.0 1.8 3.4 109 69 A 47 VAL HGy% A 6 TYR HBy 1.0 1.8 3.4 110 70 A 6 TYR H A 47 VAL HGx% 1.0 1.8 6.0 111 70 A 47 VAL HGy% A 6 TYR H 1.0 1.8 6.0 112 71 A 8 VAL H A 7 THR HA 1.0 1.8 6.0 113 72 A 8 VAL H A 7 THR HB 1.0 1.8 6.0 114 73 A 8 VAL H A 7 THR HG2% 1.0 1.8 3.4 115 74 A 7 THR H A 8 VAL H 1.0 1.8 6.0 116 75 A 7 THR HG2% A 42 GLY H 1.0 1.8 4.0 117 76 A 7 THR HG2% A 42 GLY HAx 1.0 1.8 3.4 118 76 A 7 THR HG2% A 42 GLY HAy 1.0 1.8 3.4 119 77 A 8 VAL HA A 9 LYS H 1.0 1.8 3.4 120 78 A 9 LYS H A 8 VAL HB 1.0 1.8 6.0 121 79 A 9 LYS H A 8 VAL HGx% 1.0 1.8 6.0 122 79 A 8 VAL HGy% A 9 LYS H 1.0 1.8 6.0 123 80 A 8 VAL H A 9 LYS H 1.0 1.8 6.0 124 81 A 8 VAL HGx% A 12 ASP HBx 1.0 1.8 3.4 125 81 A 8 VAL HGy% A 12 ASP HBx 1.0 1.8 3.4 126 81 A 12 ASP HBy A 8 VAL HGx% 1.0 1.8 3.4 127 81 A 8 VAL HGy% A 12 ASP HBy 1.0 1.8 3.4 128 82 A 8 VAL HA A 17 ILE HD1% 1.0 1.8 3.4 129 83 A 8 VAL H A 39 ILE HD1% 1.0 1.8 6.0 130 84 A 8 VAL HGy% A 40 PHE HBx 1.0 1.8 6.0 131 84 A 8 VAL HGx% A 40 PHE HBx 1.0 1.8 6.0 132 84 A 40 PHE HBy A 8 VAL HGx% 1.0 1.8 6.0 133 84 A 8 VAL HGy% A 40 PHE HBy 1.0 1.8 6.0 134 85 A 8 VAL HB A 41 VAL HA 1.0 1.8 3.4 135 86 A 41 VAL HA A 8 VAL HGx% 1.0 1.8 2.8 136 86 A 8 VAL HGy% A 41 VAL HA 1.0 1.8 2.8 137 87 A 41 VAL H A 8 VAL HGx% 1.0 1.8 6.0 138 87 A 8 VAL HGy% A 41 VAL H 1.0 1.8 6.0 139 88 A 42 GLY H A 8 VAL HB 1.0 1.8 6.0 140 89 A 42 GLY H A 8 VAL HGx% 1.0 1.8 6.0 141 89 A 8 VAL HGy% A 42 GLY H 1.0 1.8 6.0 142 90 A 8 VAL HB A 43 GLN HBx 1.0 1.8 3.4 143 90 A 8 VAL HB A 43 GLN HBy 1.0 1.8 3.4 144 91 A 8 VAL HB A 43 GLN H 1.0 1.8 3.4 145 92 A 8 VAL HGy% A 43 GLN HBx 1.0 1.8 3.4 146 92 A 8 VAL HGx% A 43 GLN HBx 1.0 1.8 3.4 147 92 A 43 GLN HBy A 8 VAL HGx% 1.0 1.8 3.4 148 92 A 8 VAL HGy% A 43 GLN HBy 1.0 1.8 3.4 149 93 A 43 GLN H A 8 VAL HGx% 1.0 1.8 6.0 150 93 A 8 VAL HGy% A 43 GLN H 1.0 1.8 6.0 151 94 A 8 VAL HGy% A 45 LEU HBx 1.0 1.8 2.8 152 94 A 8 VAL HGx% A 45 LEU HBx 1.0 1.8 2.8 153 94 A 45 LEU HBy A 8 VAL HGx% 1.0 1.8 2.8 154 94 A 8 VAL HGy% A 45 LEU HBy 1.0 1.8 2.8 155 95 A 45 LEU HG A 8 VAL HGx% 1.0 1.8 2.8 156 95 A 8 VAL HGy% A 45 LEU HG 1.0 1.8 2.8 157 96 A 45 LEU H A 8 VAL HGx% 1.0 1.8 6.0 158 96 A 45 LEU H A 8 VAL HGy% 1.0 1.8 6.0 159 97 A 9 LYS HA A 10 SER H 1.0 1.8 3.4 160 98 A 9 LYS HBx A 10 SER HB2 1.0 1.8 6.0 161 98 A 9 LYS HBy A 10 SER HB2 1.0 1.8 6.0 162 98 A 10 SER HB3 A 9 LYS HBx 1.0 1.8 6.0 163 98 A 9 LYS HBy A 10 SER HB3 1.0 1.8 6.0 164 99 A 10 SER H A 9 LYS HBx 1.0 1.8 3.4 165 99 A 10 SER H A 9 LYS HBy 1.0 1.8 3.4 166 100 A 9 LYS HD2 A 10 SER HB2 1.0 1.8 6.0 167 100 A 9 LYS HD3 A 10 SER HB2 1.0 1.8 6.0 168 100 A 10 SER HB3 A 9 LYS HD2 1.0 1.8 6.0 169 100 A 10 SER HB3 A 9 LYS HD3 1.0 1.8 6.0 170 101 A 10 SER H A 9 LYS HGx 1.0 1.8 6.0 171 101 A 10 SER H A 9 LYS HGy 1.0 1.8 6.0 172 102 A 9 LYS H A 12 ASP HBx 1.0 1.8 6.0 173 102 A 9 LYS H A 12 ASP HBy 1.0 1.8 6.0 174 103 A 9 LYS H A 12 ASP H 1.0 1.8 6.0 175 104 A 9 LYS HA A 41 VAL HGx% 1.0 1.8 3.4 176 104 A 9 LYS HA A 41 VAL HGy% 1.0 1.8 3.4 177 105 A 42 GLY H A 9 LYS HBx 1.0 1.8 6.0 178 105 A 42 GLY H A 9 LYS HBy 1.0 1.8 6.0 179 106 A 42 GLY H A 9 LYS HE2 1.0 1.8 3.4 180 106 A 42 GLY H A 9 LYS HE3 1.0 1.8 3.4 181 107 A 10 SER HA A 11 GLY H 1.0 1.8 3.4 182 108 A 11 GLY H A 10 SER HB2 1.0 1.8 6.0 183 108 A 10 SER HB3 A 11 GLY H 1.0 1.8 6.0 184 109 A 12 ASP H A 10 SER HA 1.0 1.8 6.0 185 110 A 12 ASP H A 10 SER HB2 1.0 1.8 6.0 186 110 A 10 SER HB3 A 12 ASP H 1.0 1.8 6.0 187 111 A 10 SER HA A 41 VAL HGx% 1.0 1.8 3.4 188 111 A 41 VAL HGy% A 10 SER HA 1.0 1.8 3.4 189 112 A 10 SER H A 41 VAL HGx% 1.0 1.8 6.0 190 112 A 10 SER H A 41 VAL HGy% 1.0 1.8 6.0 191 113 A 12 ASP H A 11 GLY HAx 1.0 1.8 6.0 192 113 A 12 ASP H A 11 GLY HAy 1.0 1.8 6.0 193 114 A 11 GLY H A 41 VAL HGx% 1.0 1.8 6.0 194 114 A 41 VAL HGy% A 11 GLY H 1.0 1.8 6.0 195 115 A 13 THR H A 12 ASP HBx 1.0 1.8 6.0 196 115 A 12 ASP HBy A 13 THR H 1.0 1.8 6.0 197 116 A 12 ASP H A 13 THR H 1.0 1.8 6.0 198 117 A 17 ILE HD1% A 12 ASP HBx 1.0 1.8 6.0 199 117 A 17 ILE HD1% A 12 ASP HBy 1.0 1.8 6.0 200 118 A 17 ILE HD1% A 12 ASP H 1.0 1.8 6.0 201 119 A 12 ASP H A 17 ILE HG1x 1.0 1.8 6.0 202 119 A 17 ILE HG1y A 12 ASP H 1.0 1.8 6.0 203 120 A 17 ILE HG2% A 12 ASP H 1.0 1.8 6.0 204 121 A 39 ILE HD1% A 12 ASP HBx 1.0 1.8 6.0 205 121 A 12 ASP HBy A 39 ILE HD1% 1.0 1.8 6.0 206 122 A 39 ILE HG2% A 12 ASP HBx 1.0 1.8 3.0 207 122 A 12 ASP HBy A 39 ILE HG2% 1.0 1.8 3.0 208 123 A 12 ASP H A 41 VAL HGx% 1.0 1.8 6.0 209 123 A 12 ASP H A 41 VAL HGy% 1.0 1.8 6.0 210 124 A 13 THR HA A 14 LEU H 1.0 1.8 6.0 211 125 A 14 LEU H A 13 THR HB 1.0 1.8 6.0 212 126 A 14 LEU H A 13 THR HG2% 1.0 1.8 6.0 213 127 A 13 THR HB A 15 ASN H 1.0 1.8 6.0 214 128 A 13 THR HG2% A 15 ASN H 1.0 1.8 6.0 215 129 A 13 THR HB A 16 LYS H 1.0 1.8 6.0 216 130 A 13 THR HG2% A 16 LYS H 1.0 1.8 6.0 217 131 A 13 THR H A 16 LYS HBx 1.0 1.8 3.4 218 131 A 13 THR H A 16 LYS HBy 1.0 1.8 3.4 219 132 A 13 THR H A 16 LYS H 1.0 1.8 6.0 220 133 A 13 THR H A 17 ILE HB 1.0 1.8 6.0 221 134 A 17 ILE HD1% A 13 THR H 1.0 1.8 6.0 222 135 A 13 THR H A 17 ILE HG1x 1.0 1.8 6.0 223 135 A 17 ILE HG1y A 13 THR H 1.0 1.8 6.0 224 136 A 17 ILE HG2% A 13 THR H 1.0 1.8 6.0 225 137 A 13 THR H A 17 ILE H 1.0 1.8 6.0 226 138 A 39 ILE HD1% A 13 THR HA 1.0 1.8 4.0 227 139 A 39 ILE HD1% A 13 THR H 1.0 1.8 6.0 228 140 A 15 ASN H A 14 LEU HA 1.0 1.8 6.0 229 141 A 15 ASN H A 14 LEU HBx 1.0 1.8 6.0 230 141 A 15 ASN H A 14 LEU HBy 1.0 1.8 6.0 231 142 A 15 ASN H A 14 LEU HDx% 1.0 1.8 6.0 232 142 A 15 ASN H A 14 LEU HDy% 1.0 1.8 6.0 233 143 A 15 ASN H A 14 LEU HG 1.0 1.8 6.0 234 144 A 14 LEU H A 15 ASN H 1.0 1.8 6.0 235 145 A 17 ILE HG2% A 14 LEU HA 1.0 1.8 6.0 236 146 A 17 ILE HD1% A 14 LEU HA 1.0 1.8 6.0 237 147 A 17 ILE H A 14 LEU HA 1.0 1.8 6.0 238 148 A 17 ILE HG2% A 14 LEU HBx 1.0 1.8 6.0 239 148 A 17 ILE HG2% A 14 LEU HBy 1.0 1.8 6.0 240 149 A 17 ILE HD1% A 14 LEU HDx% 1.0 1.8 2.8 241 149 A 17 ILE HD1% A 14 LEU HDy% 1.0 1.8 2.8 242 150 A 39 ILE HD1% A 14 LEU HA 1.0 1.8 3.4 243 151 A 39 ILE HD1% A 14 LEU HBx 1.0 1.8 6.0 244 151 A 39 ILE HD1% A 14 LEU HBy 1.0 1.8 6.0 245 152 A 39 ILE HD1% A 14 LEU H 1.0 1.8 6.0 246 153 A 39 ILE HG2% A 14 LEU H 1.0 1.8 6.0 247 154 A 16 LYS H A 15 ASN HA 1.0 1.8 6.0 248 155 A 16 LYS H A 15 ASN HBx 1.0 1.8 6.0 249 155 A 16 LYS H A 15 ASN HBy 1.0 1.8 6.0 250 156 A 15 ASN H A 16 LYS H 1.0 1.8 6.0 251 157 A 15 ASN HA A 18 ALA HB% 1.0 1.8 3.4 252 158 A 15 ASN HA A 18 ALA H 1.0 1.8 6.0 253 159 A 15 ASN HA A 25 VAL HGx% 1.0 1.8 2.8 254 159 A 15 ASN HA A 25 VAL HGy% 1.0 1.8 2.8 255 160 A 15 ASN HBx A 25 VAL HGx% 1.0 1.8 6.0 256 160 A 15 ASN HBy A 25 VAL HGx% 1.0 1.8 6.0 257 160 A 25 VAL HGy% A 15 ASN HBx 1.0 1.8 6.0 258 160 A 15 ASN HBy A 25 VAL HGy% 1.0 1.8 6.0 259 161 A 15 ASN HD2x A 25 VAL HGx% 1.0 1.8 6.0 260 161 A 15 ASN HD2y A 25 VAL HGx% 1.0 1.8 6.0 261 161 A 25 VAL HGy% A 15 ASN HD2y 1.0 1.8 6.0 262 161 A 25 VAL HGy% A 15 ASN HD2x 1.0 1.8 6.0 263 162 A 15 ASN H A 25 VAL HGx% 1.0 1.8 6.0 264 162 A 15 ASN H A 25 VAL HGy% 1.0 1.8 6.0 265 163 A 17 ILE H A 16 LYS HA 1.0 1.8 6.0 266 164 A 17 ILE H A 16 LYS HBx 1.0 1.8 3.4 267 164 A 16 LYS HBy A 17 ILE H 1.0 1.8 3.4 268 165 A 16 LYS H A 17 ILE H 1.0 1.8 6.0 269 166 A 16 LYS HA A 19 ALA H 1.0 1.8 6.0 270 167 A 39 ILE HD1% A 16 LYS H 1.0 1.8 6.0 271 168 A 39 ILE HG2% A 16 LYS H 1.0 1.8 6.0 272 169 A 18 ALA H A 17 ILE HA 1.0 1.8 6.0 273 170 A 17 ILE HB A 18 ALA H 1.0 1.8 3.4 274 171 A 17 ILE HD1% A 18 ALA H 1.0 1.8 6.0 275 172 A 17 ILE HG2% A 18 ALA H 1.0 1.8 6.0 276 173 A 17 ILE H A 18 ALA H 1.0 1.8 3.4 277 174 A 17 ILE HA A 20 GLN HBx 1.0 1.8 6.0 278 174 A 17 ILE HA A 20 GLN HBy 1.0 1.8 6.0 279 175 A 17 ILE HA A 20 GLN H 1.0 1.8 6.0 280 176 A 17 ILE HA A 21 TYR H 1.0 1.8 6.0 281 177 A 21 TYR HD% A 17 ILE HG2% 1.0 1.8 6.0 282 178 A 21 TYR HE% A 17 ILE HG2% 1.0 1.8 6.0 283 179 A 17 ILE HG2% A 21 TYR H 1.0 1.8 6.0 284 180 A 39 ILE HG2% A 17 ILE HG1x 1.0 1.8 3.4 285 180 A 17 ILE HG1y A 39 ILE HG2% 1.0 1.8 3.4 286 181 A 39 ILE HD1% A 17 ILE H 1.0 1.8 6.0 287 182 A 19 ALA H A 18 ALA HA 1.0 1.8 6.0 288 183 A 18 ALA HB% A 19 ALA H 1.0 1.8 3.4 289 184 A 18 ALA H A 19 ALA H 1.0 1.8 3.4 290 185 A 18 ALA HB% A 20 GLN H 1.0 1.8 4.0 291 186 A 21 TYR H A 18 ALA HA 1.0 1.8 6.0 292 187 A 18 ALA HA A 23 VAL H 1.0 1.8 6.0 293 188 A 18 ALA HA A 23 VAL HGx% 1.0 1.8 3.4 294 188 A 18 ALA HA A 23 VAL HGy% 1.0 1.8 3.4 295 189 A 18 ALA HB% A 23 VAL HGx% 1.0 1.8 2.8 296 189 A 18 ALA HB% A 23 VAL HGy% 1.0 1.8 2.8 297 190 A 18 ALA HB% A 23 VAL H 1.0 1.8 6.0 298 191 A 18 ALA H A 23 VAL HGx% 1.0 1.8 6.0 299 191 A 18 ALA H A 23 VAL HGy% 1.0 1.8 6.0 300 192 A 18 ALA HB% A 25 VAL HGx% 1.0 1.8 2.8 301 192 A 18 ALA HB% A 25 VAL HGy% 1.0 1.8 2.8 302 193 A 18 ALA HB% A 25 VAL H 1.0 1.8 6.0 303 194 A 18 ALA HB% A 25 VAL HA 1.0 1.8 3.4 304 195 A 18 ALA HA A 28 LEU HDx% 1.0 1.8 3.4 305 195 A 18 ALA HA A 28 LEU HDy% 1.0 1.8 3.4 306 196 A 18 ALA HB% A 28 LEU HDx% 1.0 1.8 2.8 307 196 A 18 ALA HB% A 28 LEU HDy% 1.0 1.8 2.8 308 197 A 18 ALA H A 28 LEU HDx% 1.0 1.8 6.0 309 197 A 18 ALA H A 28 LEU HDy% 1.0 1.8 6.0 310 198 A 20 GLN H A 19 ALA HA 1.0 1.8 6.0 311 199 A 19 ALA HB% A 20 GLN HA 1.0 1.8 6.0 312 200 A 20 GLN H A 19 ALA HB% 1.0 1.8 6.0 313 201 A 19 ALA H A 20 GLN H 1.0 1.8 6.0 314 202 A 21 TYR H A 19 ALA HA 1.0 1.8 6.0 315 203 A 21 TYR H A 19 ALA HB% 1.0 1.8 6.0 316 204 A 19 ALA HA A 22 GLY H 1.0 1.8 6.0 317 205 A 19 ALA HB% A 22 GLY H 1.0 1.8 6.0 318 206 A 23 VAL H A 19 ALA HA 1.0 1.8 6.0 319 207 A 25 VAL H A 19 ALA HB% 1.0 1.8 6.0 320 208 A 21 TYR H A 20 GLN HA 1.0 1.8 6.0 321 209 A 21 TYR H A 20 GLN HBx 1.0 1.8 6.0 322 209 A 20 GLN HBy A 21 TYR H 1.0 1.8 6.0 323 210 A 21 TYR H A 20 GLN HGx 1.0 1.8 6.0 324 210 A 21 TYR H A 20 GLN HGy 1.0 1.8 6.0 325 211 A 20 GLN H A 21 TYR H 1.0 1.8 3.4 326 212 A 20 GLN HA A 22 GLY H 1.0 1.8 6.0 327 213 A 21 TYR HD% A 21 TYR HBx 1.0 1.8 3.4 328 213 A 21 TYR HD% A 21 TYR HBy 1.0 1.8 3.4 329 214 A 21 TYR HD% A 21 TYR H 1.0 1.8 6.0 330 215 A 22 GLY H A 21 TYR HA 1.0 1.8 6.0 331 216 A 22 GLY H A 21 TYR HBx 1.0 1.8 6.0 332 216 A 22 GLY H A 21 TYR HBy 1.0 1.8 6.0 333 217 A 21 TYR HD% A 22 GLY H 1.0 1.8 6.0 334 218 A 21 TYR H A 22 GLY H 1.0 1.8 3.4 335 219 A 21 TYR HBy A 23 VAL HGx% 1.0 1.8 6.0 336 219 A 21 TYR HBx A 23 VAL HGx% 1.0 1.8 6.0 337 219 A 23 VAL HGy% A 21 TYR HBx 1.0 1.8 6.0 338 219 A 23 VAL HGy% A 21 TYR HBy 1.0 1.8 6.0 339 220 A 23 VAL H A 21 TYR HBx 1.0 1.8 6.0 340 220 A 23 VAL H A 21 TYR HBy 1.0 1.8 6.0 341 221 A 21 TYR HD% A 23 VAL H 1.0 1.8 6.0 342 222 A 21 TYR H A 23 VAL HGx% 1.0 1.8 6.0 343 222 A 21 TYR H A 23 VAL HGy% 1.0 1.8 6.0 344 223 A 47 VAL HB A 21 TYR HBx 1.0 1.8 6.0 345 223 A 21 TYR HBy A 47 VAL HB 1.0 1.8 6.0 346 224 A 21 TYR HBy A 47 VAL HGx% 1.0 1.8 6.0 347 224 A 21 TYR HBx A 47 VAL HGx% 1.0 1.8 6.0 348 224 A 47 VAL HGy% A 21 TYR HBx 1.0 1.8 6.0 349 224 A 47 VAL HGy% A 21 TYR HBy 1.0 1.8 6.0 350 225 A 21 TYR HD% A 47 VAL HB 1.0 1.8 6.0 351 226 A 21 TYR HD% A 47 VAL HGx% 1.0 1.8 6.0 352 226 A 21 TYR HD% A 47 VAL HGy% 1.0 1.8 6.0 353 227 A 21 TYR HE% A 47 VAL HA 1.0 1.8 6.0 354 228 A 21 TYR HE% A 47 VAL HB 1.0 1.8 6.0 355 229 A 21 TYR HE% A 47 VAL HGx% 1.0 1.8 6.0 356 229 A 21 TYR HE% A 47 VAL HGy% 1.0 1.8 6.0 357 230 A 23 VAL H A 22 GLY HAx 1.0 1.8 6.0 358 230 A 23 VAL H A 22 GLY HAy 1.0 1.8 6.0 359 231 A 22 GLY H A 23 VAL HGx% 1.0 1.8 6.0 360 231 A 23 VAL HGy% A 22 GLY H 1.0 1.8 6.0 361 232 A 23 VAL HA A 24 SER H 1.0 1.8 6.0 362 233 A 24 SER H A 23 VAL HB 1.0 1.8 4.0 363 234 A 24 SER H A 23 VAL HGx% 1.0 1.8 6.0 364 234 A 23 VAL HGy% A 24 SER H 1.0 1.8 6.0 365 235 A 25 VAL HA A 23 VAL HGx% 1.0 1.8 4.0 366 235 A 23 VAL HGy% A 25 VAL HA 1.0 1.8 4.0 367 236 A 23 VAL HB A 27 ASN HBx 1.0 1.8 6.0 368 236 A 23 VAL HB A 27 ASN HBy 1.0 1.8 6.0 369 237 A 23 VAL HGy% A 27 ASN HBx 1.0 1.8 6.0 370 237 A 27 ASN HBy A 23 VAL HGx% 1.0 1.8 6.0 371 237 A 23 VAL HGy% A 27 ASN HBy 1.0 1.8 6.0 372 237 A 23 VAL HGx% A 27 ASN HBx 1.0 1.8 6.0 373 238 A 23 VAL HGy% A 27 ASN HD2y 1.0 1.8 6.0 374 238 A 23 VAL HGx% A 27 ASN HD2y 1.0 1.8 6.0 375 238 A 27 ASN HD2x A 23 VAL HGx% 1.0 1.8 6.0 376 238 A 23 VAL HGy% A 27 ASN HD2x 1.0 1.8 6.0 377 239 A 28 LEU H A 23 VAL HGx% 1.0 1.8 3.4 378 239 A 23 VAL HGy% A 28 LEU H 1.0 1.8 3.4 379 240 A 23 VAL HB A 31 TRP HH2 1.0 1.8 6.0 380 241 A 31 TRP HE3 A 23 VAL HGx% 1.0 1.8 6.0 381 241 A 23 VAL HGy% A 31 TRP HE3 1.0 1.8 6.0 382 242 A 31 TRP HH2 A 23 VAL HGx% 1.0 1.8 6.0 383 242 A 23 VAL HGy% A 31 TRP HH2 1.0 1.8 6.0 384 243 A 31 TRP HZ3 A 23 VAL HGx% 1.0 1.8 6.0 385 243 A 23 VAL HGy% A 31 TRP HZ3 1.0 1.8 6.0 386 244 A 23 VAL HGx% A 47 VAL HGx% 1.0 1.8 3.4 387 244 A 23 VAL HGy% A 47 VAL HGx% 1.0 1.8 3.4 388 244 A 47 VAL HGy% A 23 VAL HGx% 1.0 1.8 3.4 389 244 A 47 VAL HGy% A 23 VAL HGy% 1.0 1.8 3.4 390 245 A 25 VAL H A 24 SER HA 1.0 1.8 6.0 391 246 A 25 VAL H A 24 SER HBx 1.0 1.8 6.0 392 246 A 25 VAL H A 24 SER HBy 1.0 1.8 6.0 393 247 A 24 SER HA A 26 ALA H 1.0 1.8 6.0 394 248 A 26 ALA HB% A 24 SER HBx 1.0 1.8 6.0 395 248 A 24 SER HBy A 26 ALA HB% 1.0 1.8 6.0 396 249 A 26 ALA H A 24 SER HBx 1.0 1.8 6.0 397 249 A 24 SER HBy A 26 ALA H 1.0 1.8 6.0 398 250 A 27 ASN H A 24 SER HBx 1.0 1.8 6.0 399 250 A 24 SER HBy A 27 ASN H 1.0 1.8 6.0 400 251 A 24 SER H A 27 ASN HBx 1.0 1.8 6.0 401 251 A 24 SER H A 27 ASN HBy 1.0 1.8 6.0 402 252 A 24 SER H A 27 ASN HD2y 1.0 1.8 6.0 403 252 A 24 SER H A 27 ASN HD2x 1.0 1.8 6.0 404 253 A 24 SER H A 27 ASN H 1.0 1.8 6.0 405 254 A 25 VAL HA A 26 ALA H 1.0 1.8 6.0 406 255 A 26 ALA H A 25 VAL HB 1.0 1.8 3.4 407 256 A 26 ALA H A 25 VAL HGx% 1.0 1.8 6.0 408 256 A 25 VAL HGy% A 26 ALA H 1.0 1.8 6.0 409 257 A 25 VAL H A 26 ALA HB% 1.0 1.8 6.0 410 258 A 25 VAL H A 26 ALA H 1.0 1.8 3.4 411 259 A 25 VAL HA A 27 ASN H 1.0 1.8 6.0 412 260 A 27 ASN H A 25 VAL HGx% 1.0 1.8 6.0 413 260 A 25 VAL HGy% A 27 ASN H 1.0 1.8 6.0 414 261 A 25 VAL HA A 28 LEU HG 1.0 1.8 3.4 415 262 A 25 VAL HA A 28 LEU H 1.0 1.8 6.0 416 263 A 25 VAL HA A 28 LEU HBx 1.0 1.8 6.0 417 263 A 25 VAL HA A 28 LEU HBy 1.0 1.8 6.0 418 264 A 25 VAL HA A 28 LEU HDx% 1.0 1.8 3.4 419 264 A 25 VAL HA A 28 LEU HDy% 1.0 1.8 3.4 420 265 A 25 VAL HA A 29 ARG HDx 1.0 1.8 4.0 421 265 A 25 VAL HA A 29 ARG HDy 1.0 1.8 4.0 422 266 A 25 VAL HA A 29 ARG H 1.0 1.8 6.0 423 267 A 25 VAL HGx% A 29 ARG HGx 1.0 1.8 3.4 424 267 A 29 ARG HGy A 25 VAL HGx% 1.0 1.8 3.4 425 267 A 25 VAL HGy% A 29 ARG HGy 1.0 1.8 3.4 426 267 A 25 VAL HGy% A 29 ARG HGx 1.0 1.8 3.4 427 268 A 25 VAL HGx% A 29 ARG HDx 1.0 1.8 3.4 428 268 A 29 ARG HDy A 25 VAL HGx% 1.0 1.8 3.4 429 268 A 25 VAL HGy% A 29 ARG HDy 1.0 1.8 3.4 430 268 A 25 VAL HGy% A 29 ARG HDx 1.0 1.8 3.4 431 269 A 29 ARG HE A 25 VAL HGx% 1.0 1.8 6.0 432 269 A 25 VAL HGy% A 29 ARG HE 1.0 1.8 6.0 433 270 A 27 ASN H A 26 ALA HA 1.0 1.8 6.0 434 271 A 26 ALA HB% A 27 ASN H 1.0 1.8 6.0 435 272 A 26 ALA H A 27 ASN HBx 1.0 1.8 6.0 436 272 A 27 ASN HBy A 26 ALA H 1.0 1.8 6.0 437 273 A 26 ALA H A 27 ASN H 1.0 1.8 6.0 438 274 A 28 LEU H A 26 ALA HA 1.0 1.8 6.0 439 275 A 26 ALA HA A 29 ARG HDx 1.0 1.8 3.4 440 275 A 29 ARG HDy A 26 ALA HA 1.0 1.8 3.4 441 276 A 29 ARG H A 26 ALA HA 1.0 1.8 6.0 442 277 A 28 LEU H A 27 ASN HA 1.0 1.8 6.0 443 278 A 28 LEU H A 27 ASN HBx 1.0 1.8 6.0 444 278 A 27 ASN HBy A 28 LEU H 1.0 1.8 6.0 445 279 A 28 LEU H A 27 ASN H 1.0 1.8 6.0 446 280 A 27 ASN HA A 30 SER H 1.0 1.8 6.0 447 281 A 27 ASN HA A 31 TRP HE1 1.0 1.8 6.0 448 282 A 31 TRP HZ2 A 27 ASN HBx 1.0 1.8 6.0 449 282 A 27 ASN HBy A 31 TRP HZ2 1.0 1.8 6.0 450 283 A 31 TRP HE1 A 27 ASN HBx 1.0 1.8 6.0 451 283 A 27 ASN HBy A 31 TRP HE1 1.0 1.8 6.0 452 284 A 29 ARG H A 28 LEU HA 1.0 1.8 6.0 453 285 A 29 ARG H A 28 LEU HBx 1.0 1.8 6.0 454 285 A 28 LEU HBy A 29 ARG H 1.0 1.8 6.0 455 286 A 29 ARG H A 28 LEU HDx% 1.0 1.8 6.0 456 286 A 28 LEU HDy% A 29 ARG H 1.0 1.8 6.0 457 287 A 28 LEU H A 29 ARG H 1.0 1.8 3.4 458 288 A 31 TRP HE3 A 28 LEU HA 1.0 1.8 6.0 459 289 A 28 LEU HA A 31 TRP H 1.0 1.8 6.0 460 290 A 31 TRP H A 28 LEU HDx% 1.0 1.8 6.0 461 290 A 28 LEU HDy% A 31 TRP H 1.0 1.8 6.0 462 291 A 28 LEU HA A 32 ASN HD2x 1.0 1.8 6.0 463 291 A 28 LEU HA A 32 ASN HD2y 1.0 1.8 6.0 464 292 A 28 LEU HBy A 32 ASN HD2y 1.0 1.8 6.0 465 292 A 32 ASN HD2x A 28 LEU HBx 1.0 1.8 6.0 466 292 A 28 LEU HBy A 32 ASN HD2x 1.0 1.8 6.0 467 292 A 32 ASN HD2y A 28 LEU HBx 1.0 1.8 6.0 468 293 A 32 ASN HD2x A 28 LEU HDx% 1.0 1.8 6.0 469 293 A 28 LEU HDy% A 32 ASN HD2y 1.0 1.8 6.0 470 293 A 28 LEU HDy% A 32 ASN HD2x 1.0 1.8 6.0 471 293 A 32 ASN HD2y A 28 LEU HDx% 1.0 1.8 6.0 472 294 A 39 ILE HD1% A 28 LEU HDx% 1.0 1.8 2.8 473 294 A 39 ILE HD1% A 28 LEU HDy% 1.0 1.8 2.8 474 295 A 47 VAL HA A 28 LEU HDx% 1.0 1.8 4.0 475 295 A 28 LEU HDy% A 47 VAL HA 1.0 1.8 4.0 476 296 A 28 LEU HDx% A 47 VAL HGx% 1.0 1.8 2.8 477 296 A 28 LEU HDy% A 47 VAL HGx% 1.0 1.8 2.8 478 296 A 47 VAL HGy% A 28 LEU HDx% 1.0 1.8 2.8 479 296 A 47 VAL HGy% A 28 LEU HDy% 1.0 1.8 2.8 480 297 A 47 VAL HB A 28 LEU HDx% 1.0 1.8 3.4 481 297 A 28 LEU HDy% A 47 VAL HB 1.0 1.8 3.4 482 298 A 30 SER H A 29 ARG HA 1.0 1.8 6.0 483 299 A 30 SER H A 29 ARG HB2 1.0 1.8 6.0 484 299 A 30 SER H A 29 ARG HB3 1.0 1.8 6.0 485 300 A 30 SER H A 29 ARG HGx 1.0 1.8 6.0 486 300 A 29 ARG HGy A 30 SER H 1.0 1.8 6.0 487 301 A 29 ARG H A 30 SER H 1.0 1.8 3.4 488 302 A 29 ARG HA A 32 ASN H 1.0 1.8 6.0 489 303 A 29 ARG HA A 34 ILE HD1% 1.0 1.8 6.0 490 304 A 36 GLY H A 29 ARG HDx 1.0 1.8 6.0 491 304 A 29 ARG HDy A 36 GLY H 1.0 1.8 6.0 492 305 A 29 ARG HE A 36 GLY HAx 1.0 1.8 6.0 493 305 A 29 ARG HE A 36 GLY HAy 1.0 1.8 6.0 494 306 A 29 ARG HE A 36 GLY H 1.0 1.8 6.0 495 307 A 31 TRP H A 30 SER HA 1.0 1.8 6.0 496 308 A 31 TRP H A 30 SER HB2 1.0 1.8 3.4 497 308 A 31 TRP H A 30 SER HB3 1.0 1.8 3.4 498 309 A 30 SER H A 31 TRP H 1.0 1.8 3.4 499 310 A 30 SER HA A 33 GLY H 1.0 1.8 6.0 500 311 A 31 TRP HA A 31 TRP HD1 1.0 1.8 6.0 501 312 A 31 TRP HE3 A 31 TRP HBx 1.0 1.8 6.0 502 312 A 31 TRP HE3 A 31 TRP HBy 1.0 1.8 6.0 503 313 A 31 TRP HE1 A 31 TRP HD1 1.0 1.8 6.0 504 314 A 31 TRP HE1 A 31 TRP HZ2 1.0 1.8 6.0 505 315 A 31 TRP HE3 A 31 TRP H 1.0 1.8 6.0 506 316 A 32 ASN H A 31 TRP HA 1.0 1.8 6.0 507 317 A 32 ASN HD2y A 31 TRP HBx 1.0 1.8 6.0 508 317 A 31 TRP HBy A 32 ASN HD2x 1.0 1.8 6.0 509 317 A 32 ASN HD2x A 31 TRP HBx 1.0 1.8 6.0 510 317 A 31 TRP HBy A 32 ASN HD2y 1.0 1.8 6.0 511 318 A 32 ASN H A 31 TRP HBx 1.0 1.8 6.0 512 318 A 32 ASN H A 31 TRP HBy 1.0 1.8 6.0 513 319 A 31 TRP H A 32 ASN H 1.0 1.8 3.4 514 320 A 46 ILE HD1% A 31 TRP HBx 1.0 1.8 6.0 515 320 A 46 ILE HD1% A 31 TRP HBy 1.0 1.8 6.0 516 321 A 31 TRP HBy A 46 ILE HG1x 1.0 1.8 3.4 517 321 A 31 TRP HBx A 46 ILE HG1x 1.0 1.8 3.4 518 321 A 46 ILE HG1y A 31 TRP HBx 1.0 1.8 3.4 519 321 A 46 ILE HG1y A 31 TRP HBy 1.0 1.8 3.4 520 322 A 46 ILE HG2% A 31 TRP HBx 1.0 1.8 6.0 521 322 A 46 ILE HG2% A 31 TRP HBy 1.0 1.8 6.0 522 323 A 46 ILE HB A 31 TRP HBx 1.0 1.8 6.0 523 323 A 31 TRP HBy A 46 ILE HB 1.0 1.8 6.0 524 324 A 46 ILE HG2% A 31 TRP HE1 1.0 1.8 6.0 525 325 A 46 ILE HG2% A 31 TRP HE3 1.0 1.8 6.0 526 326 A 31 TRP HZ3 A 48 LYS HA 1.0 1.8 6.0 527 327 A 32 ASN H A 32 ASN HD2x 1.0 1.8 6.0 528 327 A 32 ASN H A 32 ASN HD2y 1.0 1.8 6.0 529 328 A 33 GLY H A 32 ASN HA 1.0 1.8 6.0 530 329 A 33 GLY H A 32 ASN HBx 1.0 1.8 6.0 531 329 A 33 GLY H A 32 ASN HBy 1.0 1.8 6.0 532 330 A 32 ASN H A 33 GLY H 1.0 1.8 3.4 533 331 A 34 ILE HD1% A 32 ASN HBx 1.0 1.8 3.4 534 331 A 34 ILE HD1% A 32 ASN HBy 1.0 1.8 3.4 535 332 A 34 ILE H A 32 ASN HBx 1.0 1.8 6.0 536 332 A 32 ASN HBy A 34 ILE H 1.0 1.8 6.0 537 333 A 32 ASN HBx A 34 ILE HG1x 1.0 1.8 6.0 538 333 A 32 ASN HBy A 34 ILE HG1x 1.0 1.8 6.0 539 333 A 34 ILE HG1y A 32 ASN HBx 1.0 1.8 6.0 540 333 A 32 ASN HBy A 34 ILE HG1y 1.0 1.8 6.0 541 334 A 32 ASN H A 34 ILE HD1% 1.0 1.8 6.0 542 335 A 32 ASN HBx A 45 LEU HDx% 1.0 1.8 4.0 543 335 A 32 ASN HBy A 45 LEU HDx% 1.0 1.8 4.0 544 335 A 45 LEU HDy% A 32 ASN HBx 1.0 1.8 4.0 545 335 A 45 LEU HDy% A 32 ASN HBy 1.0 1.8 4.0 546 336 A 32 ASN HD2x A 45 LEU HBx 1.0 1.8 6.0 547 336 A 45 LEU HBy A 32 ASN HD2x 1.0 1.8 6.0 548 336 A 45 LEU HBy A 32 ASN HD2y 1.0 1.8 6.0 549 336 A 32 ASN HD2y A 45 LEU HBx 1.0 1.8 6.0 550 337 A 45 LEU HDy% A 32 ASN HD2x 1.0 1.8 6.0 551 337 A 32 ASN HD2x A 45 LEU HDx% 1.0 1.8 6.0 552 337 A 45 LEU HDy% A 32 ASN HD2y 1.0 1.8 6.0 553 337 A 32 ASN HD2y A 45 LEU HDx% 1.0 1.8 6.0 554 338 A 45 LEU HG A 32 ASN HD2x 1.0 1.8 6.0 555 338 A 45 LEU HG A 32 ASN HD2y 1.0 1.8 6.0 556 339 A 46 ILE HB A 32 ASN HD2x 1.0 1.8 6.0 557 339 A 46 ILE HB A 32 ASN HD2y 1.0 1.8 6.0 558 340 A 46 ILE HG2% A 32 ASN HD2x 1.0 1.8 6.0 559 340 A 46 ILE HG2% A 32 ASN HD2y 1.0 1.8 6.0 560 341 A 46 ILE H A 32 ASN HD2x 1.0 1.8 6.0 561 341 A 46 ILE H A 32 ASN HD2y 1.0 1.8 6.0 562 342 A 46 ILE HD1% A 32 ASN HD2x 1.0 1.8 6.0 563 342 A 46 ILE HD1% A 32 ASN HD2y 1.0 1.8 6.0 564 343 A 46 ILE HA A 32 ASN HD2x 1.0 1.8 6.0 565 343 A 46 ILE HA A 32 ASN HD2y 1.0 1.8 6.0 566 344 A 34 ILE H A 33 GLY HAx 1.0 1.8 6.0 567 344 A 34 ILE H A 33 GLY HAy 1.0 1.8 6.0 568 345 A 33 GLY H A 34 ILE HB 1.0 1.8 6.0 569 346 A 34 ILE HD1% A 33 GLY H 1.0 1.8 6.0 570 347 A 33 GLY H A 34 ILE HG1x 1.0 1.8 6.0 571 347 A 33 GLY H A 34 ILE HG1y 1.0 1.8 6.0 572 348 A 33 GLY H A 34 ILE HG2% 1.0 1.8 6.0 573 349 A 34 ILE HA A 35 SER H 1.0 1.8 3.4 574 350 A 34 ILE HB A 35 SER H 1.0 1.8 6.0 575 351 A 35 SER H A 34 ILE HG1x 1.0 1.8 6.0 576 351 A 34 ILE HG1y A 35 SER H 1.0 1.8 6.0 577 352 A 34 ILE HG2% A 35 SER HB2 1.0 1.8 4.0 578 352 A 34 ILE HG2% A 35 SER HB3 1.0 1.8 4.0 579 353 A 34 ILE HG2% A 35 SER H 1.0 1.8 6.0 580 354 A 34 ILE H A 35 SER H 1.0 1.8 6.0 581 355 A 34 ILE HD1% A 36 GLY H 1.0 1.8 6.0 582 356 A 36 GLY H A 34 ILE HG2% 1.0 1.8 6.0 583 357 A 34 ILE HG2% A 37 ASP H 1.0 1.8 6.0 584 358 A 34 ILE HG2% A 38 LEU H 1.0 1.8 6.0 585 359 A 34 ILE HD1% A 43 GLN HE2y 1.0 1.8 6.0 586 359 A 34 ILE HD1% A 43 GLN HE2x 1.0 1.8 6.0 587 360 A 34 ILE HG1x A 43 GLN HE2y 1.0 1.8 6.0 588 360 A 34 ILE HG1y A 43 GLN HE2y 1.0 1.8 6.0 589 360 A 43 GLN HE2x A 34 ILE HG1x 1.0 1.8 6.0 590 360 A 34 ILE HG1y A 43 GLN HE2x 1.0 1.8 6.0 591 361 A 34 ILE HG2% A 43 GLN HE2y 1.0 1.8 6.0 592 361 A 34 ILE HG2% A 43 GLN HE2x 1.0 1.8 6.0 593 362 A 36 GLY H A 35 SER HA 1.0 1.8 6.0 594 363 A 36 GLY H A 35 SER HB2 1.0 1.8 6.0 595 363 A 36 GLY H A 35 SER HB3 1.0 1.8 6.0 596 364 A 37 ASP H A 36 GLY HAx 1.0 1.8 3.4 597 364 A 36 GLY HAy A 37 ASP H 1.0 1.8 3.4 598 365 A 38 LEU H A 36 GLY HAx 1.0 1.8 6.0 599 365 A 36 GLY HAy A 38 LEU H 1.0 1.8 6.0 600 366 A 38 LEU H A 37 ASP HBx 1.0 1.8 6.0 601 366 A 38 LEU H A 37 ASP HBy 1.0 1.8 6.0 602 367 A 37 ASP H A 38 LEU HA 1.0 1.8 6.0 603 368 A 37 ASP H A 38 LEU HB2 1.0 1.8 6.0 604 368 A 37 ASP H A 38 LEU HB3 1.0 1.8 6.0 605 369 A 37 ASP H A 38 LEU H 1.0 1.8 3.4 606 370 A 38 LEU HA A 39 ILE H 1.0 1.8 3.4 607 371 A 39 ILE H A 38 LEU HB2 1.0 1.8 6.0 608 371 A 38 LEU HB3 A 39 ILE H 1.0 1.8 6.0 609 372 A 39 ILE H A 38 LEU HD1% 1.0 1.8 6.0 610 372 A 39 ILE H A 38 LEU HD2% 1.0 1.8 6.0 611 373 A 39 ILE H A 38 LEU HG 1.0 1.8 6.0 612 374 A 39 ILE HA A 40 PHE H 1.0 1.8 6.0 613 375 A 40 PHE H A 39 ILE HB 1.0 1.8 6.0 614 376 A 39 ILE HD1% A 40 PHE H 1.0 1.8 6.0 615 377 A 40 PHE H A 39 ILE HG1x 1.0 1.8 6.0 616 377 A 40 PHE H A 39 ILE HG1y 1.0 1.8 6.0 617 378 A 39 ILE HG2% A 40 PHE H 1.0 1.8 6.0 618 379 A 39 ILE HG2% A 43 GLN HE2y 1.0 1.8 3.4 619 379 A 39 ILE HG2% A 43 GLN HE2x 1.0 1.8 3.4 620 380 A 39 ILE HD1% A 45 LEU HBx 1.0 1.8 3.4 621 380 A 45 LEU HBy A 39 ILE HD1% 1.0 1.8 3.4 622 381 A 40 PHE H A 40 PHE HD% 1.0 1.8 6.0 623 382 A 41 VAL H A 40 PHE HA 1.0 1.8 3.4 624 383 A 41 VAL H A 40 PHE HBx 1.0 1.8 6.0 625 383 A 40 PHE HBy A 41 VAL H 1.0 1.8 6.0 626 384 A 41 VAL H A 40 PHE HD% 1.0 1.8 6.0 627 385 A 41 VAL H A 40 PHE HE% 1.0 1.8 6.0 628 386 A 43 GLN H A 40 PHE HBx 1.0 1.8 6.0 629 386 A 40 PHE HBy A 43 GLN H 1.0 1.8 6.0 630 387 A 43 GLN H A 40 PHE HE% 1.0 1.8 6.0 631 388 A 40 PHE H A 43 GLN HBx 1.0 1.8 6.0 632 388 A 43 GLN HBy A 40 PHE H 1.0 1.8 6.0 633 389 A 42 GLY H A 41 VAL HA 1.0 1.8 2.8 634 390 A 42 GLY H A 41 VAL HB 1.0 1.8 6.0 635 391 A 41 VAL HGy% A 42 GLY HAx 1.0 1.8 3.4 636 391 A 41 VAL HGx% A 42 GLY HAx 1.0 1.8 3.4 637 391 A 42 GLY HAy A 41 VAL HGx% 1.0 1.8 3.4 638 391 A 42 GLY HAy A 41 VAL HGy% 1.0 1.8 3.4 639 392 A 42 GLY H A 41 VAL HGx% 1.0 1.8 3.4 640 392 A 42 GLY H A 41 VAL HGy% 1.0 1.8 3.4 641 393 A 41 VAL HA A 43 GLN H 1.0 1.8 6.0 642 394 A 43 GLN H A 41 VAL HGx% 1.0 1.8 6.0 643 394 A 43 GLN H A 41 VAL HGy% 1.0 1.8 6.0 644 395 A 43 GLN H A 42 GLY HAx 1.0 1.8 6.0 645 395 A 42 GLY HAy A 43 GLN H 1.0 1.8 6.0 646 396 A 42 GLY H A 43 GLN H 1.0 1.8 3.4 647 397 A 43 GLN HA A 44 LYS H 1.0 1.8 3.4 648 398 A 44 LYS H A 43 GLN HBx 1.0 1.8 6.0 649 398 A 43 GLN HBy A 44 LYS H 1.0 1.8 6.0 650 399 A 44 LYS H A 43 GLN HGx 1.0 1.8 6.0 651 399 A 44 LYS H A 43 GLN HGy 1.0 1.8 6.0 652 400 A 43 GLN H A 44 LYS H 1.0 1.8 6.0 653 401 A 43 GLN HE2x A 45 LEU HDx% 1.0 1.8 6.0 654 401 A 43 GLN HE2y A 45 LEU HDx% 1.0 1.8 6.0 655 401 A 45 LEU HDy% A 43 GLN HE2y 1.0 1.8 6.0 656 401 A 45 LEU HDy% A 43 GLN HE2x 1.0 1.8 6.0 657 402 A 43 GLN HE2x A 45 LEU HBx 1.0 1.8 6.0 658 402 A 43 GLN HE2y A 45 LEU HBx 1.0 1.8 6.0 659 402 A 45 LEU HBy A 43 GLN HE2y 1.0 1.8 6.0 660 402 A 45 LEU HBy A 43 GLN HE2x 1.0 1.8 6.0 661 403 A 43 GLN HGy A 45 LEU HDx% 1.0 1.8 3.4 662 403 A 45 LEU HDy% A 43 GLN HGx 1.0 1.8 3.4 663 403 A 45 LEU HDy% A 43 GLN HGy 1.0 1.8 3.4 664 403 A 43 GLN HGx A 45 LEU HDx% 1.0 1.8 3.4 665 404 A 45 LEU H A 44 LYS HA 1.0 1.8 6.0 666 405 A 45 LEU H A 44 LYS HBx 1.0 1.8 6.0 667 405 A 44 LYS HBy A 45 LEU H 1.0 1.8 6.0 668 406 A 44 LYS H A 45 LEU HDx% 1.0 1.8 6.0 669 406 A 45 LEU HDy% A 44 LYS H 1.0 1.8 6.0 670 407 A 45 LEU H A 44 LYS H 1.0 1.8 6.0 671 408 A 46 ILE H A 45 LEU HA 1.0 1.8 6.0 672 409 A 46 ILE H A 45 LEU HBx 1.0 1.8 6.0 673 409 A 46 ILE H A 45 LEU HBy 1.0 1.8 6.0 674 410 A 46 ILE HA A 47 VAL H 1.0 1.8 3.4 675 411 A 47 VAL H A 46 ILE HG1x 1.0 1.8 6.0 676 411 A 46 ILE HG1y A 47 VAL H 1.0 1.8 6.0 677 412 A 46 ILE HG2% A 47 VAL H 1.0 1.8 3.4 678 413 A 46 ILE H A 47 VAL H 1.0 1.8 6.0 679 414 A 48 LYS H A 46 ILE HA 1.0 1.8 6.0 680 415 A 48 LYS H A 46 ILE HB 1.0 1.8 6.0 681 416 A 46 ILE HG2% A 48 LYS H 1.0 1.8 3.4 682 417 A 48 LYS H A 47 VAL HA 1.0 1.8 6.0 683 418 A 48 LYS H A 47 VAL HB 1.0 1.8 6.0 684 419 A 48 LYS H A 47 VAL HGx% 1.0 1.8 6.0 685 419 A 47 VAL HGy% A 48 LYS H 1.0 1.8 6.0 686 420 A 47 VAL HGx% A 48 LYS HBx 1.0 1.8 6.0 687 420 A 47 VAL HGy% A 48 LYS HBx 1.0 1.8 6.0 688 420 A 48 LYS HBy A 47 VAL HGx% 1.0 1.8 6.0 689 420 A 47 VAL HGy% A 48 LYS HBy 1.0 1.8 6.0 690 421 A 48 LYS H A 47 VAL H 1.0 1.8 4.0 691 422 A 48 LYS HA A 49 LYS H 1.0 1.8 3.4 692 423 A 49 LYS H A 48 LYS HBx 1.0 1.8 6.0 693 423 A 48 LYS HBy A 49 LYS H 1.0 1.8 6.0 694 424 A 49 LYS H A 48 LYS HG2 1.0 1.8 6.0 695 424 A 48 LYS HG3 A 49 LYS H 1.0 1.8 6.0 696 425 A 48 LYS H A 49 LYS H 1.0 1.8 6.0 697 426 A 49 LYS HA A 50 GLY H 1.0 1.8 6.0 698 427 A 50 GLY H A 49 LYS HBx 1.0 1.8 6.0 699 427 A 50 GLY H A 49 LYS HBy 1.0 1.8 6.0 700 428 A 50 GLY H A 49 LYS HGx 1.0 1.8 6.0 701 428 A 50 GLY H A 49 LYS HGy 1.0 1.8 6.0 702 429 A 49 LYS H A 50 GLY H 1.0 1.8 6.0 703 430 A 51 SER H A 50 GLY HAx 1.0 1.8 6.0 704 430 A 50 GLY HAy A 51 SER H 1.0 1.8 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 4 THR H A 47 VAL O 1.0 1.7 2.3 2 2 A 47 VAL O A 4 THR N 1.0 2.6 3.2 3 3 A 6 TYR H A 45 LEU O 1.0 1.7 2.3 4 4 A 45 LEU O A 6 TYR N 1.0 2.6 3.2 5 5 A 8 VAL H A 43 GLN O 1.0 1.7 2.3 6 6 A 43 GLN O A 8 VAL N 1.0 2.6 3.2 7 7 A 17 ILE H A 13 THR O 1.0 1.7 2.3 8 8 A 13 THR O A 17 ILE N 1.0 2.6 3.2 9 9 A 18 ALA H A 14 LEU O 1.0 1.7 2.3 10 10 A 14 LEU O A 18 ALA N 1.0 2.6 3.2 11 11 A 19 ALA H A 15 ASN O 1.0 1.7 2.3 12 12 A 15 ASN O A 19 ALA N 1.0 2.6 3.2 13 13 A 20 GLN H A 16 LYS O 1.0 1.7 2.3 14 14 A 16 LYS O A 20 GLN N 1.0 2.6 3.2 15 15 A 28 LEU H A 24 SER O 1.0 1.7 2.3 16 16 A 24 SER O A 28 LEU N 1.0 2.6 3.2 17 17 A 29 ARG H A 25 VAL O 1.0 1.7 2.3 18 18 A 25 VAL O A 29 ARG N 1.0 2.6 3.2 19 19 A 30 SER H A 26 ALA O 1.0 1.7 2.3 20 20 A 26 ALA O A 30 SER N 1.0 2.6 3.2 21 21 A 31 TRP H A 27 ASN O 1.0 1.7 2.3 22 22 A 27 ASN O A 31 TRP N 1.0 2.6 3.2 23 23 A 42 GLY H A 8 VAL O 1.0 1.7 2.3 24 24 A 8 VAL O A 42 GLY N 1.0 2.6 3.2 25 25 A 45 LEU H A 6 TYR O 1.0 1.7 2.3 26 26 A 6 TYR O A 45 LEU N 1.0 2.6 3.2 27 27 A 47 VAL H A 4 THR O 1.0 1.7 2.3 28 28 A 4 THR O A 47 VAL N 1.0 2.6 3.2 29 29 A 32 ASN HD2x A 28 LEU O 1.0 1.7 2.1 30 30 A 28 LEU O A 32 ASN ND2 1.0 2.7 3.1 31 31 A 32 ASN HD2y A 46 ILE O 1.0 1.7 2.1 32 32 A 32 ASN ND2 A 46 ILE O 1.0 2.6 3.0 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 4 THR C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -130.0 -86.0 PHI 2 2 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 TYR N 1.0 116.0 154.0 PSI 3 3 A 5 TYR C A 6 TYR N A 6 TYR CA A 6 TYR C 1.0 -146.0 -118.0 PHI 4 4 A 6 TYR N A 6 TYR CA A 6 TYR C A 7 THR N 1.0 111.0 147.0 PSI 5 5 A 6 TYR C A 7 THR N A 7 THR CA A 7 THR C 1.0 -121.0 -63.0 PHI 6 6 A 7 THR N A 7 THR CA A 7 THR C A 8 VAL N 1.0 98.0 142.0 PSI 7 7 A 7 THR C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -86.0 -58.0 PHI 8 8 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 LYS N 1.0 117.0 145.0 PSI 9 9 A 8 VAL C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -168.0 -74.0 PHI 10 10 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 SER N 1.0 145.0 177.0 PSI 11 11 A 9 LYS C A 10 SER N A 10 SER CA A 10 SER C 1.0 -82.0 -44.0 PHI 12 12 A 11 GLY C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -89.0 -53.0 PHI 13 13 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 THR N 1.0 -44.0 -10.0 PSI 14 14 A 12 ASP C A 13 THR N A 13 THR CA A 13 THR C 1.0 -143.0 -117.0 PHI 15 15 A 13 THR N A 13 THR CA A 13 THR C A 14 LEU N 1.0 146.0 170.0 PSI 16 16 A 13 THR C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -70.0 -56.0 PHI 17 17 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 ASN N 1.0 -46.0 -28.0 PSI 18 18 A 14 LEU C A 15 ASN N A 15 ASN CA A 15 ASN C 1.0 -69.0 -55.0 PHI 19 19 A 15 ASN N A 15 ASN CA A 15 ASN C A 16 LYS N 1.0 -49.0 -29.0 PSI 20 20 A 15 ASN C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -70.0 -62.0 PHI 21 21 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 ILE N 1.0 -44.0 -32.0 PSI 22 22 A 16 LYS C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -73.0 -57.0 PHI 23 23 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 ALA N 1.0 -50.0 -38.0 PSI 24 24 A 17 ILE C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -66.0 -58.0 PHI 25 25 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 ALA N 1.0 -48.0 -30.0 PSI 26 26 A 18 ALA C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -73.0 -59.0 PHI 27 27 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 GLN N 1.0 -51.0 -23.0 PSI 28 28 A 19 ALA C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -74.0 -60.0 PHI 29 29 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 TYR N 1.0 -46.0 -22.0 PSI 30 30 A 20 GLN C A 21 TYR N A 21 TYR CA A 21 TYR C 1.0 -107.0 -75.0 PHI 31 31 A 21 TYR N A 21 TYR CA A 21 TYR C A 22 GLY N 1.0 -15.0 13.0 PSI 32 32 A 21 TYR C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 58.0 78.0 PHI 33 33 A 22 GLY N A 22 GLY CA A 22 GLY C A 23 VAL N 1.0 26.0 48.0 PSI 34 34 A 22 GLY C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -139.0 -115.0 PHI 35 35 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 SER N 1.0 144.0 182.0 PSI 36 36 A 23 VAL C A 24 SER N A 24 SER CA A 24 SER C 1.0 -111.0 -55.0 PHI 37 37 A 24 SER N A 24 SER CA A 24 SER C A 25 VAL N 1.0 147.0 169.0 PSI 38 38 A 24 SER C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -67.0 -53.0 PHI 39 39 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 ALA N 1.0 -50.0 -28.0 PSI 40 40 A 25 VAL C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -73.0 -55.0 PHI 41 41 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 ASN N 1.0 -46.0 -28.0 PSI 42 42 A 26 ALA C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 -75.0 -61.0 PHI 43 43 A 27 ASN N A 27 ASN CA A 27 ASN C A 28 LEU N 1.0 -48.0 -28.0 PSI 44 44 A 27 ASN C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -73.0 -55.0 PHI 45 45 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 ARG N 1.0 -48.0 -34.0 PSI 46 46 A 28 LEU C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -71.0 -55.0 PHI 47 47 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 SER N 1.0 -52.0 -34.0 PSI 48 48 A 29 ARG C A 30 SER N A 30 SER CA A 30 SER C 1.0 -78.0 -60.0 PHI 49 49 A 30 SER N A 30 SER CA A 30 SER C A 31 TRP N 1.0 -43.0 -27.0 PSI 50 50 A 30 SER C A 31 TRP N A 31 TRP CA A 31 TRP C 1.0 -113.0 -59.0 PHI 51 51 A 31 TRP N A 31 TRP CA A 31 TRP C A 32 ASN N 1.0 -45.0 -3.0 PSI 52 52 A 31 TRP C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -128.0 -96.0 PHI 53 53 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 GLY N 1.0 -21.0 21.0 PSI 54 54 A 32 ASN C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 55.0 77.0 PHI 55 55 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 ILE N 1.0 8.0 44.0 PSI 56 56 A 33 GLY C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -129.0 -79.0 PHI 57 57 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 SER N 1.0 109.0 161.0 PSI 58 58 A 34 ILE C A 35 SER N A 35 SER CA A 35 SER C 1.0 -107.0 -53.0 PHI 59 59 A 35 SER N A 35 SER CA A 35 SER C A 36 GLY N 1.0 111.0 163.0 PSI 60 60 A 36 GLY C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -116.0 -60.0 PHI 61 61 A 37 ASP C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -96.0 -62.0 PHI 62 62 A 38 LEU C A 39 ILE N A 39 ILE CA A 39 ILE C 1.0 -139.0 -97.0 PHI 63 63 A 39 ILE N A 39 ILE CA A 39 ILE C A 40 PHE N 1.0 118.0 164.0 PSI 64 64 A 39 ILE C A 40 PHE N A 40 PHE CA A 40 PHE C 1.0 -150.0 -94.0 PHI 65 65 A 40 PHE N A 40 PHE CA A 40 PHE C A 41 VAL N 1.0 133.0 173.0 PSI 66 66 A 40 PHE C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -65.0 -49.0 PHI 67 67 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 GLY N 1.0 127.0 139.0 PSI 68 68 A 41 VAL C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 85.0 105.0 PHI 69 69 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 GLN N 1.0 -21.0 -3.0 PSI 70 70 A 42 GLY C A 43 GLN N A 43 GLN CA A 43 GLN C 1.0 -75.0 -59.0 PHI 71 71 A 43 GLN N A 43 GLN CA A 43 GLN C A 44 LYS N 1.0 128.0 150.0 PSI 72 72 A 43 GLN C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -107.0 -73.0 PHI 73 73 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 LEU N 1.0 108.0 146.0 PSI 74 74 A 44 LYS C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -140.0 -86.0 PHI 75 75 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 ILE N 1.0 108.0 152.0 PSI 76 76 A 47 VAL C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -181.0 -105.0 PHI 77 77 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 LYS N 1.0 118.0 154.0 PSI 78 78 A 48 LYS C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -126.0 -62.0 PHI 79 79 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 GLY N 1.0 109.0 165.0 PSI 80 80 A 5 TYR N A 5 TYR CA A 5 TYR CB A 5 TYR CG 1.0 30.0 90.0 CHI1 81 81 A 6 TYR N A 6 TYR CA A 6 TYR CB A 6 TYR CG 1.0 150.0 210.0 CHI1 82 82 A 7 THR N A 7 THR CA A 7 THR CB A 7 THR OG1 1.0 30.0 90.0 CHI1 83 83 A 8 VAL N A 8 VAL CA A 8 VAL CB A 8 VAL CG1 1.0 150.0 210.0 CHI1 84 84 A 12 ASP N A 12 ASP CA A 12 ASP CB A 12 ASP CG 1.0 30.0 90.0 CHI1 85 85 A 13 THR N A 13 THR CA A 13 THR CB A 13 THR OG1 1.0 -90.0 -30.0 CHI1 86 86 A 15 ASN N A 15 ASN CA A 15 ASN CB A 15 ASN CG 1.0 30.0 90.0 CHI1 87 87 A 17 ILE N A 17 ILE CA A 17 ILE CB A 17 ILE CG1 1.0 30.0 90.0 CHI1 88 88 A 21 TYR N A 21 TYR CA A 21 TYR CB A 21 TYR CG 1.0 30.0 90.0 CHI1 89 89 A 23 VAL N A 23 VAL CA A 23 VAL CB A 23 VAL CG1 1.0 30.0 90.0 CHI1 90 90 A 25 VAL N A 25 VAL CA A 25 VAL CB A 25 VAL CG1 1.0 150.0 210.0 CHI1 91 91 A 27 ASN N A 27 ASN CA A 27 ASN CB A 27 ASN CG 1.0 30.0 90.0 CHI1 92 92 A 28 LEU N A 28 LEU CA A 28 LEU CB A 28 LEU CG 1.0 30.0 90.0 CHI1 93 93 A 31 TRP N A 31 TRP CA A 31 TRP CB A 31 TRP CG 1.0 45.0 75.0 CHI1 94 94 A 38 LEU N A 38 LEU CA A 38 LEU CB A 38 LEU CG 1.0 30.0 90.0 CHI1 95 95 A 40 PHE N A 40 PHE CA A 40 PHE CB A 40 PHE CG 1.0 30.0 90.0 CHI1 96 96 A 41 VAL N A 41 VAL CA A 41 VAL CB A 41 VAL CG1 1.0 150.0 210.0 CHI1 97 97 A 45 LEU N A 45 LEU CA A 45 LEU CB A 45 LEU CG 1.0 30.0 90.0 CHI1 98 98 A 47 VAL N A 47 VAL CA A 47 VAL CB A 47 VAL CG1 1.0 30.0 90.0 CHI1 stop_ save_