data_nef_c17955_2ljq save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 17958 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 LYS start . . 2 A 2 TYR middle . . 3 A 3 TYR middle . . 4 A 4 GLY middle . false 5 A 5 ASN middle . . 6 A 6 GLY middle . false 7 A 7 VAL middle . . 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 THR middle . . 11 A 11 LYS middle . . 12 A 12 SER middle . . 13 A 13 GLY middle . false 14 A 14 SER middle . . 15 A 15 SER middle . . 16 A 16 VAL middle . . 17 A 17 ASN middle . . 18 A 18 TRP middle . . 19 A 19 GLY middle . false 20 A 20 GLU middle . . 21 A 21 ALA middle . . 22 A 22 PHE middle . . 23 A 23 SER middle . . 24 A 24 ALA middle . . 25 A 25 GLY middle . false 26 A 26 VAL middle . . 27 A 27 HIS middle . . 28 A 28 ARG middle . . 29 A 29 LEU middle . . 30 A 30 ALA middle . . 31 A 31 ASN middle . . 32 A 32 GLY middle . false 33 A 33 GLY middle . false 34 A 34 ASN middle . . 35 A 35 GLY middle . false 36 A 36 PHE middle . . 37 A 37 TRP 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 LYS HA H 1 3.910 . A 1 LYS HBx H 1 1.802 . A 1 LYS HBy H 1 1.802 . A 1 LYS HDx H 1 1.682 . A 1 LYS HDy H 1 1.682 . A 1 LYS HEx H 1 2.952 . A 1 LYS HEy H 1 2.952 . A 1 LYS HGx H 1 1.284 . A 1 LYS HGy H 1 1.321 . A 1 LYS C C 13 171.162 . A 1 LYS CA C 13 55.951 . A 1 LYS CB C 13 32.995 . A 1 LYS CD C 13 28.694 . A 1 LYS CE C 13 42.041 . A 1 LYS CG C 13 23.691 . A 2 TYR H H 1 8.168 . A 2 TYR HA H 1 4.601 . A 2 TYR HBx H 1 2.933 . A 2 TYR HBy H 1 2.992 . A 2 TYR C C 13 174.757 . A 2 TYR CA C 13 58.152 . A 2 TYR CB C 13 38.953 . A 2 TYR N N 15 121.535 . A 3 TYR H H 1 7.725 . A 3 TYR HA H 1 4.510 . A 3 TYR HBx H 1 2.811 . A 3 TYR HBy H 1 3.077 . A 3 TYR C C 13 175.668 . A 3 TYR CA C 13 58.044 . A 3 TYR CB C 13 38.872 . A 3 TYR N N 15 122.158 . A 4 GLY H H 1 6.904 . A 4 GLY HAx H 1 3.713 . A 4 GLY HAy H 1 3.949 . A 4 GLY C C 13 173.486 . A 4 GLY CA C 13 45.507 . A 4 GLY N N 15 106.651 . A 5 ASN H H 1 7.979 . A 5 ASN HA H 1 4.735 . A 5 ASN HBx H 1 2.860 . A 5 ASN HBy H 1 2.860 . A 5 ASN HD2y H 1 7.197 . A 5 ASN HD2x H 1 6.403 . A 5 ASN C C 13 175.955 . A 5 ASN CA C 13 53.578 . A 5 ASN CB C 13 38.360 . A 5 ASN CG C 13 176.655 . A 5 ASN N N 15 116.578 . A 5 ASN ND2 N 15 108.237 . A 6 GLY H H 1 8.215 . A 6 GLY HAx H 1 3.910 . A 6 GLY HAy H 1 4.030 . A 6 GLY C C 13 174.941 . A 6 GLY CA C 13 45.910 . A 6 GLY N N 15 107.525 . A 7 VAL H H 1 7.798 . A 7 VAL HA H 1 3.903 . A 7 VAL HB H 1 2.087 . A 7 VAL HGx% H 1 0.943 . A 7 VAL HGy% H 1 0.887 . A 7 VAL C C 13 176.642 . A 7 VAL CA C 13 64.618 . A 7 VAL CB C 13 31.977 . A 7 VAL CGy C 13 42.647 . A 7 VAL CGx C 13 20.147 . A 7 VAL N N 15 120.385 . A 8 HIS H H 1 8.194 . A 8 HIS HA H 1 4.664 . A 8 HIS HBx H 1 3.259 . A 8 HIS HBy H 1 3.358 . A 8 HIS HE1 H 1 8.346 . A 8 HIS C C 13 175.134 . A 8 HIS CA C 13 56.636 . A 8 HIS CB C 13 28.514 . A 8 HIS CE1 C 13 135.258 . A 8 HIS N N 15 118.140 . A 9 SER H H 1 8.240 . A 9 SER HA H 1 4.498 . A 9 SER HBx H 1 3.944 . A 9 SER HBy H 1 4.049 . A 9 SER C C 13 175.246 . A 9 SER CA C 13 59.526 . A 9 SER CB C 13 63.756 . A 9 SER N N 15 114.728 . A 10 THR H H 1 8.063 . A 10 THR HA H 1 4.329 . A 10 THR HB H 1 4.367 . A 10 THR HG2% H 1 1.298 . A 10 THR C C 13 175.749 . A 10 THR CA C 13 63.491 . A 10 THR CB C 13 69.651 . A 10 THR CG2 C 13 20.409 . A 10 THR N N 15 114.697 . A 11 LYS H H 1 8.190 . A 11 LYS HA H 1 4.276 . A 11 LYS HBx H 1 1.856 . A 11 LYS HBy H 1 1.923 . A 11 LYS HDx H 1 1.690 . A 11 LYS HDy H 1 1.690 . A 11 LYS HEx H 1 2.961 . A 11 LYS HEy H 1 2.961 . A 11 LYS HGx H 1 1.466 . A 11 LYS HGy H 1 1.517 . A 11 LYS C C 13 177.515 . A 11 LYS CA C 13 57.803 . A 11 LYS CB C 13 32.240 . A 11 LYS CD C 13 28.645 . A 11 LYS CE C 13 42.256 . A 11 LYS CG C 13 24.624 . A 11 LYS N N 15 121.372 . A 12 SER H H 1 8.031 . A 12 SER HA H 1 4.345 . A 12 SER HBx H 1 3.906 . A 12 SER HBy H 1 3.993 . A 12 SER C C 13 175.615 . A 12 SER CA C 13 59.910 . A 12 SER CB C 13 63.393 . A 12 SER N N 15 114.402 . A 13 GLY H H 1 8.208 . A 13 GLY HAx H 1 3.959 . A 13 GLY HAy H 1 3.959 . A 13 GLY C C 13 174.852 . A 13 GLY CA C 13 46.158 . A 13 GLY N N 15 109.228 . A 14 SER H H 1 8.026 . A 14 SER HA H 1 4.453 . A 14 SER HBx H 1 3.959 . A 14 SER HBy H 1 4.044 . A 14 SER C C 13 175.138 . A 14 SER CA C 13 59.818 . A 14 SER CB C 13 63.627 . A 14 SER N N 15 114.471 . A 15 SER H H 1 7.929 . A 15 SER HA H 1 4.399 . A 15 SER HBx H 1 3.954 . A 15 SER HBy H 1 4.059 . A 15 SER C C 13 175.227 . A 15 SER CA C 13 60.140 . A 15 SER CB C 13 63.421 . A 15 SER N N 15 116.552 . A 16 VAL H H 1 7.714 . A 16 VAL HA H 1 3.974 . A 16 VAL HB H 1 2.036 . A 16 VAL HGx% H 1 0.995 . A 16 VAL HGy% H 1 0.836 . A 16 VAL C C 13 176.534 . A 16 VAL CA C 13 64.399 . A 16 VAL CB C 13 32.340 . A 16 VAL CGy C 13 20.698 . A 16 VAL CGx C 13 20.056 . A 16 VAL N N 15 121.139 . A 17 ASN H H 1 7.911 . A 17 ASN HA H 1 4.671 . A 17 ASN HBx H 1 2.847 . A 17 ASN HBy H 1 2.895 . A 17 ASN HD2y H 1 7.211 . A 17 ASN HD2x H 1 6.348 . A 17 ASN C C 13 176.441 . A 17 ASN CA C 13 54.677 . A 17 ASN CB C 13 38.391 . A 17 ASN CG C 13 176.416 . A 17 ASN N N 15 118.859 . A 17 ASN ND2 N 15 108.194 . A 18 TRP H H 1 8.039 . A 18 TRP HA H 1 4.433 . A 18 TRP HBx H 1 3.366 . A 18 TRP HBy H 1 3.402 . A 18 TRP HE1 H 1 9.269 . A 18 TRP HH2 H 1 7.547 . A 18 TRP HZ2 H 1 7.291 . A 18 TRP HZ3 H 1 7.199 . A 18 TRP C C 13 177.560 . A 18 TRP CA C 13 60.377 . A 18 TRP CB C 13 29.033 . A 18 TRP CH2 C 13 120.558 . A 18 TRP CZ2 C 13 113.976 . A 18 TRP CZ3 C 13 126.245 . A 18 TRP N N 15 120.726 . A 18 TRP NE1 N 15 125.364 . A 19 GLY H H 1 8.296 . A 19 GLY HAx H 1 3.812 . A 19 GLY HAy H 1 3.902 . A 19 GLY C C 13 176.892 . A 19 GLY CA C 13 47.179 . A 19 GLY N N 15 105.364 . A 20 GLU H H 1 8.197 . A 20 GLU HA H 1 4.114 . A 20 GLU HBx H 1 2.153 . A 20 GLU HBy H 1 2.282 . A 20 GLU HGx H 1 2.490 . A 20 GLU HGy H 1 2.624 . A 20 GLU C C 13 177.675 . A 20 GLU CA C 13 58.951 . A 20 GLU CB C 13 27.959 . A 20 GLU CG C 13 32.527 . A 20 GLU N N 15 121.584 . A 21 ALA H H 1 8.009 . A 21 ALA HA H 1 4.083 . A 21 ALA HB% H 1 1.485 . A 21 ALA C C 13 180.474 . A 21 ALA CA C 13 55.353 . A 21 ALA CB C 13 17.498 . A 21 ALA N N 15 122.398 . A 22 PHE H H 1 8.808 . A 22 PHE HA H 1 4.181 . A 22 PHE HBx H 1 2.750 . A 22 PHE HBy H 1 2.920 . A 22 PHE HDx H 1 7.056 . A 22 PHE HDy H 1 7.056 . A 22 PHE HEx H 1 7.247 . A 22 PHE HEy H 1 7.247 . A 22 PHE HZ H 1 7.142 . A 22 PHE C C 13 177.821 . A 22 PHE CA C 13 60.999 . A 22 PHE CB C 13 39.069 . A 22 PHE CDy C 13 132.889 . A 22 PHE CEy C 13 131.086 . A 22 PHE CZ C 13 131.268 . A 22 PHE N N 15 119.669 . A 23 SER H H 1 8.215 . A 23 SER HA H 1 4.099 . A 23 SER HBx H 1 4.029 . A 23 SER HBy H 1 4.125 . A 23 SER C C 13 177.249 . A 23 SER CA C 13 61.472 . A 23 SER CB C 13 62.959 . A 23 SER N N 15 113.323 . A 24 ALA H H 1 8.438 . A 24 ALA HA H 1 4.140 . A 24 ALA HB% H 1 1.527 . A 24 ALA C C 13 180.096 . A 24 ALA CA C 13 55.575 . A 24 ALA CB C 13 17.472 . A 24 ALA N N 15 125.729 . A 25 GLY H H 1 8.045 . A 25 GLY HAx H 1 3.771 . A 25 GLY HAy H 1 3.883 . A 25 GLY C C 13 175.925 . A 25 GLY CA C 13 47.045 . A 25 GLY N N 15 106.125 . A 26 VAL H H 1 8.101 . A 26 VAL HA H 1 3.623 . A 26 VAL HB H 1 1.908 . A 26 VAL HGx% H 1 0.756 . A 26 VAL HGy% H 1 0.696 . A 26 VAL C C 13 177.956 . A 26 VAL CA C 13 66.325 . A 26 VAL CB C 13 31.580 . A 26 VAL CGx C 13 20.227 . A 26 VAL CGy C 13 21.605 . A 26 VAL N N 15 120.744 . A 27 HIS H H 1 8.001 . A 27 HIS HA H 1 4.192 . A 27 HIS HBx H 1 3.254 . A 27 HIS HBy H 1 3.254 . A 27 HIS HE1 H 1 8.376 . A 27 HIS C C 13 176.407 . A 27 HIS CA C 13 59.524 . A 27 HIS CB C 13 27.572 . A 27 HIS CE1 C 13 135.544 . A 27 HIS N N 15 115.112 . A 28 ARG H H 1 8.082 . A 28 ARG HA H 1 4.120 . A 28 ARG HBx H 1 1.998 . A 28 ARG HBy H 1 1.998 . A 28 ARG HDx H 1 3.133 . A 28 ARG HDy H 1 3.172 . A 28 ARG HGx H 1 1.629 . A 28 ARG HGy H 1 1.750 . A 28 ARG HH2y H 1 7.015 . A 28 ARG HH2x H 1 6.870 . A 28 ARG C C 13 178.348 . A 28 ARG CA C 13 59.076 . A 28 ARG CB C 13 29.761 . A 28 ARG CD C 13 43.156 . A 28 ARG CG C 13 27.324 . A 28 ARG N N 15 119.052 . A 28 ARG NHy N 15 123.391 . A 29 LEU H H 1 8.056 . A 29 LEU HA H 1 4.132 . A 29 LEU HBx H 1 1.622 . A 29 LEU HBy H 1 1.840 . A 29 LEU HDx% H 1 0.889 . A 29 LEU HDy% H 1 0.863 . A 29 LEU HG H 1 1.752 . A 29 LEU C C 13 179.126 . A 29 LEU CA C 13 57.425 . A 29 LEU CB C 13 42.057 . A 29 LEU CDy C 13 23.984 . A 29 LEU CDx C 13 22.562 . A 29 LEU CG C 13 26.815 . A 29 LEU N N 15 120.210 . A 30 ALA H H 1 8.231 . A 30 ALA HA H 1 4.171 . A 30 ALA HB% H 1 1.414 . A 30 ALA C C 13 178.288 . A 30 ALA CA C 13 53.831 . A 30 ALA CB C 13 17.870 . A 30 ALA N N 15 120.612 . A 31 ASN H H 1 7.807 . A 31 ASN HA H 1 4.756 . A 31 ASN HBx H 1 2.798 . A 31 ASN HBy H 1 2.947 . A 31 ASN HD2y H 1 7.307 . A 31 ASN HD2x H 1 6.353 . A 31 ASN C C 13 176.027 . A 31 ASN CA C 13 53.459 . A 31 ASN CB C 13 38.974 . A 31 ASN CG C 13 177.342 . A 31 ASN N N 15 114.606 . A 31 ASN ND2 N 15 108.754 . A 32 GLY H H 1 8.037 . A 32 GLY HAx H 1 3.884 . A 32 GLY HAy H 1 3.978 . A 32 GLY C C 13 174.785 . A 32 GLY CA C 13 45.963 . A 32 GLY N N 15 106.961 . A 33 GLY H H 1 8.169 . A 33 GLY HAx H 1 3.809 . A 33 GLY HAy H 1 3.999 . A 33 GLY C C 13 173.780 . A 33 GLY CA C 13 45.494 . A 33 GLY N N 15 107.132 . A 34 ASN H H 1 7.772 . A 34 ASN HA H 1 4.713 . A 34 ASN HBx H 1 2.762 . A 34 ASN HBy H 1 2.832 . A 34 ASN HD2y H 1 7.060 . A 34 ASN HD2x H 1 6.127 . A 34 ASN C C 13 175.053 . A 34 ASN CA C 13 53.002 . A 34 ASN CB C 13 38.808 . A 34 ASN CG C 13 176.658 . A 34 ASN N N 15 116.979 . A 34 ASN ND2 N 15 108.439 . A 35 GLY H H 1 7.887 . A 35 GLY HAx H 1 3.681 . A 35 GLY HAy H 1 3.810 . A 35 GLY C C 13 173.217 . A 35 GLY CA C 13 45.105 . A 35 GLY N N 15 106.851 . A 36 PHE H H 1 7.565 . A 36 PHE HA H 1 4.556 . A 36 PHE HBx H 1 2.902 . A 36 PHE HBy H 1 3.024 . A 36 PHE C C 13 174.885 . A 36 PHE CA C 13 57.973 . A 36 PHE CB C 13 39.520 . A 36 PHE N N 15 118.642 . A 37 TRP H H 1 7.462 . A 37 TRP HA H 1 4.765 . A 37 TRP HBx H 1 3.272 . A 37 TRP HBy H 1 3.358 . A 37 TRP HD1 H 1 7.217 . A 37 TRP HE1 H 1 9.379 . A 37 TRP HZ3 H 1 7.099 . A 37 TRP CA C 13 56.073 . A 37 TRP CB C 13 29.249 . A 37 TRP CD1 C 13 129.493 . A 37 TRP CZ3 C 13 126.435 . A 37 TRP N N 15 119.624 . A 37 TRP NE1 N 15 126.088 . 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 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 24 ALA H A 26 VAL H 1.0 . 4.78 2 2 A 24 ALA H A 24 ALA HB% 1.0 . 3.13 3 3 A 24 ALA H A 21 ALA HB% 1.0 . 4.80 4 4 A 21 ALA H A 22 PHE H 1.0 . 4.05 5 5 A 21 ALA H A 20 GLU H 1.0 . 3.80 6 6 A 2 TYR H A 3 TYR H 1.0 . 4.93 7 7 A 3 TYR H A 22 PHE HZ 1.0 . 4.44 8 8 A 3 TYR H A 22 PHE HD% 1.0 . 5.48 9 9 A 3 TYR H A 2 TYR HA 1.0 . 3.25 10 10 A 21 ALA H A 18 TRP HA 1.0 . 4.42 11 11 A 21 ALA H A 22 PHE HA 1.0 . 5.50 12 12 A 3 TYR H A 3 TYR HBx 1.0 . 4.18 13 13 A 3 TYR H A 2 TYR HBx 1.0 . 4.45 14 14 A 3 TYR H A 2 TYR HBy 1.0 . 4.45 15 15 A 3 TYR H A 3 TYR HBy 1.0 . 4.18 16 16 A 21 ALA H A 20 GLU HBx 1.0 . 4.10 17 17 A 21 ALA H A 20 GLU HBy 1.0 . 4.10 18 18 A 21 ALA HB% A 21 ALA H 1.0 . 3.09 19 19 A 20 GLU H A 19 GLY H 1.0 . 3.85 20 20 A 16 VAL H A 17 ASN H 1.0 . 3.73 21 21 A 2 TYR H A 22 PHE HZ 1.0 . 5.50 22 22 A 20 GLU H A 17 ASN HA 1.0 . 4.49 23 23 A 2 TYR H A 1 LYS HA 1.0 . 3.37 24 24 A 2 TYR H A 5 ASN HBx 1.0 . 5.50 25 24 A 2 TYR H A 5 ASN HBy 1.0 . 5.50 26 25 A 20 GLU H A 20 GLU HGx 1.0 . 4.24 27 26 A 20 GLU H A 20 GLU HGy 1.0 . 4.24 28 27 A 20 GLU H A 20 GLU HBx 1.0 . 3.81 29 28 A 20 GLU H A 20 GLU HBy 1.0 . 3.81 30 29 A 16 VAL H A 16 VAL HB 1.0 . 3.39 31 30 A 2 TYR H A 1 LYS HBx 1.0 . 3.84 32 30 A 2 TYR H A 1 LYS HBy 1.0 . 3.84 33 31 A 11 LYS H A 11 LYS HDx 1.0 . 4.87 34 31 A 11 LYS H A 11 LYS HDy 1.0 . 4.87 35 32 A 26 VAL H A 26 VAL HB 1.0 . 3.50 36 33 A 11 LYS H A 10 THR HG2% 1.0 . 4.61 37 34 A 16 VAL H A 16 VAL HGx% 1.0 . 4.05 38 35 A 16 VAL H A 16 VAL HGy% 1.0 . 4.05 39 36 A 26 VAL H A 23 SER H 1.0 . 5.06 40 37 A 26 VAL H A 27 HIS H 1.0 . 3.56 41 38 A 7 VAL H A 8 HIS H 1.0 . 3.88 42 39 A 29 LEU H A 30 ALA H 1.0 . 4.00 43 40 A 26 VAL H A 22 PHE HA 1.0 . 4.79 44 41 A 26 VAL H A 23 SER HA 1.0 . 4.54 45 42 A 30 ALA H A 26 VAL HA 1.0 . 5.05 46 43 A 7 VAL H A 7 VAL HB 1.0 . 3.83 47 44 A 29 LEU H A 28 ARG HBx 1.0 . 3.83 48 44 A 29 LEU H A 28 ARG HBy 1.0 . 3.83 49 45 A 30 ALA H A 29 LEU HBx 1.0 . 4.27 50 46 A 30 ALA H A 29 LEU HG 1.0 . 5.08 51 47 A 29 LEU H A 29 LEU HBx 1.0 . 3.75 52 48 A 29 LEU H A 29 LEU HG 1.0 . 3.60 53 49 A 30 ALA H A 29 LEU HBy 1.0 . 4.27 54 50 A 30 ALA H A 30 ALA HB% 1.0 . 3.10 55 51 A 29 LEU H A 29 LEU HBy 1.0 . 3.75 56 52 A 29 LEU H A 30 ALA HB% 1.0 . 4.94 57 53 A 7 VAL H A 7 VAL HGx% 1.0 . 4.71 58 54 A 29 LEU H A 29 LEU HDx% 1.0 . 5.09 59 55 A 30 ALA H A 28 ARG H 1.0 . 4.59 60 56 A 36 PHE H A 37 TRP H 1.0 . 3.70 61 57 A 28 ARG H A 25 GLY HAx 1.0 . 4.98 62 58 A 28 ARG H A 25 GLY HAy 1.0 . 4.98 63 59 A 28 ARG H A 27 HIS HBx 1.0 . 4.02 64 59 A 28 ARG H A 27 HIS HBy 1.0 . 4.02 65 60 A 22 PHE H A 22 PHE HBx 1.0 . 3.65 66 61 A 37 TRP H A 36 PHE HBx 1.0 . 4.40 67 62 A 22 PHE H A 22 PHE HBy 1.0 . 3.60 68 63 A 37 TRP H A 36 PHE HBy 1.0 . 4.40 69 64 A 28 ARG H A 28 ARG HBx 1.0 . 3.23 70 64 A 28 ARG HBy A 28 ARG H 1.0 . 3.23 71 65 A 28 ARG H A 28 ARG HGx 1.0 . 4.75 72 66 A 29 LEU HG A 28 ARG H 1.0 . 5.45 73 67 A 21 ALA HB% A 22 PHE H 1.0 . 3.67 74 68 A 28 ARG H A 28 ARG HGy 1.0 . 4.75 75 69 A 17 ASN H A 18 TRP H 1.0 . 4.04 76 70 A 36 PHE H A 37 TRP HD1 1.0 . 4.69 77 71 A 18 TRP HA A 17 ASN H 1.0 . 5.42 78 72 A 17 ASN H A 16 VAL HA 1.0 . 3.48 79 73 A 36 PHE H A 36 PHE HBx 1.0 . 4.07 80 74 A 36 PHE H A 36 PHE HBy 1.0 . 4.07 81 75 A 17 ASN H A 16 VAL HB 1.0 . 3.86 82 76 A 17 ASN H A 16 VAL HGx% 1.0 . 4.39 83 77 A 17 ASN H A 16 VAL HGy% 1.0 . 4.39 84 78 A 8 HIS H A 8 HIS HE1 1.0 . 4.69 85 79 A 8 HIS H A 6 GLY HAx 1.0 . 4.63 86 80 A 8 HIS H A 6 GLY HAy 1.0 . 4.63 87 81 A 8 HIS H A 8 HIS HBx 1.0 . 3.81 88 82 A 8 HIS H A 8 HIS HBy 1.0 . 3.81 89 83 A 8 HIS H A 7 VAL HB 1.0 . 4.12 90 84 A 2 TYR H A 5 ASN H 1.0 . 4.60 91 85 A 14 SER H A 15 SER H 1.0 . 3.84 92 86 A 34 ASN H A 35 GLY H 1.0 . 3.89 93 87 A 15 SER H A 15 SER HBx 1.0 . 4.02 94 88 A 15 SER H A 15 SER HBy 1.0 . 4.02 95 89 A 34 ASN H A 34 ASN HBx 1.0 . 4.00 96 90 A 34 ASN H A 34 ASN HBy 1.0 . 4.00 97 91 A 5 ASN H A 5 ASN HBx 1.0 . 3.49 98 91 A 5 ASN HBy A 5 ASN H 1.0 . 3.49 99 92 A 9 SER H A 10 THR H 1.0 . 4.75 100 93 A 27 HIS H A 28 ARG H 1.0 . 3.57 101 94 A 30 ALA H A 31 ASN H 1.0 . 4.13 102 95 A 10 THR H A 9 SER HA 1.0 . 3.49 103 96 A 10 THR H A 11 LYS HA 1.0 . 5.26 104 97 A 9 SER H A 9 SER HBx 1.0 . 3.75 105 98 A 9 SER H A 9 SER HBy 1.0 . 3.75 106 99 A 27 HIS H A 24 ALA HA 1.0 . 4.64 107 100 A 10 THR H A 9 SER HBx 1.0 . 4.50 108 101 A 10 THR H A 9 SER HBy 1.0 . 4.50 109 102 A 9 SER H A 8 HIS HBx 1.0 . 4.14 110 103 A 9 SER H A 8 HIS HBy 1.0 . 4.14 111 104 A 27 HIS H A 27 HIS HBx 1.0 . 3.40 112 104 A 27 HIS H A 27 HIS HBy 1.0 . 3.40 113 105 A 31 ASN H A 31 ASN HBx 1.0 . 4.03 114 106 A 31 ASN H A 31 ASN HBy 1.0 . 4.03 115 107 A 26 VAL HB A 27 HIS H 1.0 . 3.79 116 108 A 30 ALA HB% A 31 ASN H 1.0 . 3.84 117 109 A 10 THR HG2% A 10 THR H 1.0 . 3.71 118 110 A 27 HIS H A 26 VAL HGx% 1.0 . 4.65 119 111 A 11 LYS H A 10 THR H 1.0 . 3.74 120 112 A 16 VAL H A 14 SER H 1.0 . 4.53 121 113 A 14 SER H A 13 GLY HAx 1.0 . 3.16 122 113 A 14 SER H A 13 GLY HAy 1.0 . 3.16 123 114 A 12 SER H A 11 LYS HDx 1.0 . 4.91 124 114 A 11 LYS HDy A 12 SER H 1.0 . 4.91 125 115 A 22 PHE H A 23 SER H 1.0 . 4.15 126 116 A 24 ALA H A 23 SER H 1.0 . 4.11 127 117 A 23 SER H A 23 SER HBx 1.0 . 3.54 128 118 A 23 SER H A 23 SER HBy 1.0 . 3.54 129 119 A 23 SER H A 22 PHE HBx 1.0 . 3.64 130 120 A 23 SER H A 22 PHE HBy 1.0 . 4.04 131 121 A 24 ALA HB% A 23 SER H 1.0 . 4.78 132 122 A 12 SER H A 13 GLY H 1.0 . 4.02 133 123 A 13 GLY H A 14 SER HA 1.0 . 4.99 134 124 A 31 ASN HA A 31 ASN HD2x 1.0 . 3.91 135 125 A 5 ASN H A 6 GLY H 1.0 . 4.26 136 126 A 7 VAL H A 6 GLY H 1.0 . 4.64 137 127 A 6 GLY H A 5 ASN HBx 1.0 . 4.08 138 127 A 5 ASN HBy A 6 GLY H 1.0 . 4.08 139 128 A 32 GLY H A 33 GLY H 1.0 . 3.99 140 129 A 5 ASN H A 4 GLY H 1.0 . 4.82 141 130 A 34 ASN H A 33 GLY H 1.0 . 4.05 142 131 A 31 ASN H A 32 GLY H 1.0 . 4.06 143 132 A 3 TYR H A 4 GLY H 1.0 . 4.65 144 133 A 36 PHE H A 35 GLY H 1.0 . 4.11 145 134 A 33 GLY H A 29 LEU HA 1.0 . 4.75 146 135 A 32 GLY H A 29 LEU HA 1.0 . 4.51 147 136 A 32 GLY H A 31 ASN HBx 1.0 . 4.96 148 137 A 4 GLY H A 3 TYR HBx 1.0 . 4.90 149 138 A 35 GLY H A 34 ASN HBx 1.0 . 4.62 150 139 A 32 GLY H A 31 ASN HBy 1.0 . 4.96 151 140 A 35 GLY H A 34 ASN HBy 1.0 . 4.62 152 141 A 4 GLY H A 3 TYR HBy 1.0 . 4.90 153 142 A 24 ALA H A 25 GLY H 1.0 . 4.39 154 143 A 24 ALA HB% A 25 GLY H 1.0 . 3.76 155 144 A 19 GLY H A 18 TRP H 1.0 . 4.29 156 145 A 22 PHE H A 22 PHE HE% 1.0 . 5.50 157 146 A 22 PHE H A 22 PHE HZ 1.0 . 5.50 158 147 A 22 PHE H A 22 PHE HD% 1.0 . 5.50 159 148 A 16 VAL H A 18 TRP H 1.0 . 5.15 160 149 A 18 TRP H A 18 TRP HZ2 1.0 . 5.50 161 150 A 18 TRP H A 18 TRP HZ3 1.0 . 5.50 162 151 A 11 LYS H A 10 THR HB 1.0 . 4.24 163 152 A 14 SER H A 10 THR HB 1.0 . 4.99 164 153 A 29 LEU H A 26 VAL HA 1.0 . 3.79 165 154 A 24 ALA H A 23 SER HBx 1.0 . 4.68 166 155 A 24 ALA H A 23 SER HBy 1.0 . 4.68 167 156 A 12 SER H A 12 SER HBx 1.0 . 4.15 168 157 A 12 SER H A 12 SER HBy 1.0 . 4.15 169 158 A 22 PHE H A 18 TRP HA 1.0 . 5.31 170 159 A 17 ASN H A 14 SER HA 1.0 . 4.58 171 160 A 22 PHE HA A 22 PHE HE% 1.0 . 4.75 172 161 A 18 TRP HA A 18 TRP HZ3 1.0 . 5.05 173 162 A 22 PHE HD% A 22 PHE HA 1.0 . 4.45 174 163 A 37 TRP HD1 A 36 PHE HA 1.0 . 4.95 175 164 A 22 PHE HZ A 2 TYR HA 1.0 . 4.02 176 165 A 22 PHE HZ A 3 TYR HA 1.0 . 4.38 177 166 A 22 PHE HD% A 2 TYR HA 1.0 . 5.50 178 167 A 22 PHE HD% A 3 TYR HA 1.0 . 5.50 179 168 A 24 ALA H A 21 ALA HA 1.0 . 4.71 180 169 A 29 LEU H A 30 ALA HA 1.0 . 5.50 181 170 A 32 GLY H A 30 ALA HA 1.0 . 5.50 182 171 A 22 PHE HZ A 3 TYR HBx 1.0 . 4.29 183 172 A 22 PHE HZ A 2 TYR HBx 1.0 . 4.17 184 173 A 22 PHE HZ A 2 TYR HBy 1.0 . 4.17 185 174 A 22 PHE HZ A 3 TYR HBy 1.0 . 4.29 186 175 A 36 PHE H A 37 TRP HBx 1.0 . 5.50 187 176 A 36 PHE H A 37 TRP HBy 1.0 . 5.50 188 177 A 29 LEU H A 29 LEU HDy% 1.0 . 5.09 189 178 A 27 HIS H A 26 VAL HGy% 1.0 . 4.65 190 179 A 7 VAL H A 7 VAL HGy% 1.0 . 4.71 191 180 A 21 ALA HB% A 20 GLU H 1.0 . 5.10 192 181 A 30 ALA HB% A 32 GLY H 1.0 . 4.98 193 182 A 26 VAL HA A 29 LEU HG 1.0 . 4.78 194 183 A 26 VAL HA A 26 VAL HGx% 1.0 . 3.42 195 184 A 26 VAL HA A 26 VAL HGy% 1.0 . 3.42 196 185 A 16 VAL HA A 16 VAL HGx% 1.0 . 3.34 197 186 A 7 VAL HA A 7 VAL HGx% 1.0 . 3.47 198 187 A 7 VAL HA A 7 VAL HGy% 1.0 . 3.47 199 188 A 16 VAL HA A 16 VAL HGy% 1.0 . 3.34 200 189 A 26 VAL HB A 23 SER HA 1.0 . 3.79 201 190 A 10 THR HG2% A 10 THR HA 1.0 . 3.22 202 191 A 14 SER HA A 10 THR HB 1.0 . 3.78 203 192 A 14 SER HA A 17 ASN HBy 1.0 . 4.49 204 193 A 21 ALA HB% A 18 TRP HA 1.0 . 3.37 205 194 A 30 ALA HB% A 27 HIS HA 1.0 . 3.54 206 195 A 2 TYR HA A 3 TYR HA 1.0 . 4.42 207 196 A 19 GLY HAy A 20 GLU HA 1.0 . 4.50 208 197 A 20 GLU HA A 20 GLU HGx 1.0 . 4.01 209 198 A 20 GLU HA A 20 GLU HGy 1.0 . 4.01 210 199 A 11 LYS HA A 11 LYS HDx 1.0 . 3.93 211 199 A 11 LYS HDy A 11 LYS HA 1.0 . 3.93 212 200 A 29 LEU HA A 29 LEU HDx% 1.0 . 4.23 213 201 A 24 ALA HA A 27 HIS HBx 1.0 . 4.23 214 201 A 27 HIS HBy A 24 ALA HA 1.0 . 4.23 215 202 A 17 ASN HA A 20 GLU HBx 1.0 . 4.58 216 203 A 1 LYS HA A 1 LYS HDx 1.0 . 4.61 217 203 A 1 LYS HA A 1 LYS HDy 1.0 . 4.61 218 204 A 28 ARG HBy A 25 GLY HAx 1.0 . 4.23 219 204 A 25 GLY HAx A 28 ARG HBx 1.0 . 4.23 220 205 A 28 ARG HBy A 25 GLY HAy 1.0 . 4.23 221 205 A 25 GLY HAy A 28 ARG HBx 1.0 . 4.23 222 206 A 29 LEU HBx A 29 LEU HDx% 1.0 . 3.77 223 207 A 29 LEU HBy A 29 LEU HDx% 1.0 . 3.77 224 208 A 14 SER HA A 17 ASN HBx 1.0 . 4.49 225 209 A 23 SER HA A 22 PHE HBx 1.0 . 5.11 226 210 A 22 PHE HBx A 19 GLY HAy 1.0 . 5.00 227 211 A 23 SER HA A 22 PHE HBy 1.0 . 4.67 228 212 A 22 PHE HBx A 19 GLY HAx 1.0 . 4.42 229 213 A 22 PHE HBy A 19 GLY HAx 1.0 . 5.50 230 214 A 26 VAL HB A 27 HIS HA 1.0 . 4.52 231 215 A 16 VAL HB A 13 GLY HAx 1.0 . 3.98 232 215 A 16 VAL HB A 13 GLY HAy 1.0 . 3.98 233 216 A 11 LYS HDy A 11 LYS HBy 1.0 . 4.11 234 216 A 11 LYS HBy A 11 LYS HDx 1.0 . 4.11 235 217 A 11 LYS HDy A 11 LYS HBx 1.0 . 4.11 236 217 A 11 LYS HBx A 11 LYS HDx 1.0 . 4.11 237 218 A 1 LYS HBy A 1 LYS HDx 1.0 . 3.54 238 218 A 1 LYS HBx A 1 LYS HDx 1.0 . 3.54 239 218 A 1 LYS HDy A 1 LYS HBx 1.0 . 3.54 240 218 A 1 LYS HBy A 1 LYS HDy 1.0 . 3.54 241 219 A 17 ASN HA A 20 GLU HBy 1.0 . 4.58 242 220 A 28 ARG HA A 28 ARG HGx 1.0 . 4.24 243 221 A 28 ARG HA A 28 ARG HGy 1.0 . 4.24 244 222 A 29 LEU HA A 29 LEU HDy% 1.0 . 4.23 245 223 A 23 SER HA A 26 VAL HGy% 1.0 . 4.32 246 224 A 29 LEU HBx A 29 LEU HDy% 1.0 . 3.77 247 225 A 29 LEU HDy% A 29 LEU HBy 1.0 . 3.77 248 226 A 23 SER HA A 26 VAL HGx% 1.0 . 4.32 249 227 A 21 ALA HB% A 22 PHE HA 1.0 . 3.96 250 228 A 24 ALA HB% A 27 HIS HBx 1.0 . 5.16 251 228 A 24 ALA HB% A 27 HIS HBy 1.0 . 5.16 252 229 A 2 TYR H A 1 LYS HGx 1.0 . 5.01 253 229 A 2 TYR H A 1 LYS HGy 1.0 . 5.01 254 230 A 2 TYR H A 2 TYR HBy 1.0 . 3.68 255 230 A 2 TYR H A 2 TYR HBx 1.0 . 3.68 256 231 A 2 TYR HA A 3 TYR HBy 1.0 . 5.06 257 231 A 2 TYR HA A 3 TYR HBx 1.0 . 5.06 258 232 A 3 TYR H A 2 TYR HBy 1.0 . 3.91 259 232 A 3 TYR H A 2 TYR HBx 1.0 . 3.91 260 233 A 3 TYR HA A 2 TYR HBy 1.0 . 4.70 261 233 A 3 TYR HA A 2 TYR HBx 1.0 . 4.70 262 234 A 2 TYR HBy A 3 TYR HBy 1.0 . 5.18 263 234 A 2 TYR HBx A 3 TYR HBy 1.0 . 5.18 264 234 A 3 TYR HBx A 2 TYR HBy 1.0 . 5.18 265 234 A 2 TYR HBx A 3 TYR HBx 1.0 . 5.18 266 235 A 22 PHE HD% A 2 TYR HBy 1.0 . 5.34 267 235 A 22 PHE HD% A 2 TYR HBx 1.0 . 5.34 268 236 A 22 PHE HZ A 2 TYR HBy 1.0 . 3.65 269 236 A 22 PHE HZ A 2 TYR HBx 1.0 . 3.65 270 237 A 3 TYR H A 3 TYR HBy 1.0 . 3.51 271 237 A 3 TYR H A 3 TYR HBx 1.0 . 3.51 272 238 A 22 PHE HD% A 3 TYR HBy 1.0 . 5.34 273 238 A 22 PHE HD% A 3 TYR HBx 1.0 . 5.34 274 239 A 8 HIS H A 6 GLY HAy 1.0 . 3.76 275 239 A 8 HIS H A 6 GLY HAx 1.0 . 3.76 276 240 A 7 VAL H A 7 VAL HGy% 1.0 . 3.36 277 240 A 7 VAL H A 7 VAL HGx% 1.0 . 3.36 278 241 A 7 VAL HA A 7 VAL HGy% 1.0 . 3.04 279 241 A 7 VAL HA A 7 VAL HGx% 1.0 . 3.04 280 242 A 8 HIS H A 7 VAL HGy% 1.0 . 4.17 281 242 A 8 HIS H A 7 VAL HGx% 1.0 . 4.17 282 243 A 8 HIS H A 8 HIS HBx 1.0 . 3.32 283 243 A 8 HIS H A 8 HIS HBy 1.0 . 3.32 284 244 A 10 THR H A 9 SER HBx 1.0 . 3.88 285 244 A 10 THR H A 9 SER HBy 1.0 . 3.88 286 245 A 11 LYS H A 11 LYS HBy 1.0 . 3.38 287 245 A 11 LYS H A 11 LYS HBx 1.0 . 3.38 288 246 A 11 LYS H A 11 LYS HGx 1.0 . 4.57 289 246 A 11 LYS H A 11 LYS HGy 1.0 . 4.57 290 247 A 11 LYS HA A 11 LYS HGx 1.0 . 3.67 291 247 A 11 LYS HA A 11 LYS HGy 1.0 . 3.67 292 248 A 11 LYS HBy A 11 LYS HDx 1.0 . 3.58 293 248 A 11 LYS HBx A 11 LYS HDx 1.0 . 3.58 294 248 A 11 LYS HDy A 11 LYS HBy 1.0 . 3.58 295 248 A 11 LYS HDy A 11 LYS HBx 1.0 . 3.58 296 249 A 12 SER H A 11 LYS HBy 1.0 . 3.92 297 249 A 12 SER H A 11 LYS HBx 1.0 . 3.92 298 250 A 11 LYS HEx A 11 LYS HGx 1.0 . 3.64 299 250 A 11 LYS HEy A 11 LYS HGx 1.0 . 3.64 300 250 A 11 LYS HGy A 11 LYS HEx 1.0 . 3.64 301 250 A 11 LYS HGy A 11 LYS HEy 1.0 . 3.64 302 251 A 12 SER H A 12 SER HBx 1.0 . 3.64 303 251 A 12 SER H A 12 SER HBy 1.0 . 3.64 304 252 A 13 GLY H A 14 SER HBx 1.0 . 5.22 305 252 A 13 GLY H A 14 SER HBy 1.0 . 5.22 306 253 A 13 GLY HAy A 16 VAL HGy% 1.0 . 3.51 307 253 A 13 GLY HAx A 16 VAL HGy% 1.0 . 3.51 308 253 A 16 VAL HGx% A 13 GLY HAx 1.0 . 3.51 309 253 A 13 GLY HAy A 16 VAL HGx% 1.0 . 3.51 310 254 A 14 SER H A 14 SER HBx 1.0 . 3.47 311 254 A 14 SER H A 14 SER HBy 1.0 . 3.47 312 255 A 14 SER H A 15 SER HBx 1.0 . 4.73 313 255 A 14 SER H A 15 SER HBy 1.0 . 4.73 314 256 A 14 SER H A 17 ASN HBy 1.0 . 4.92 315 256 A 14 SER H A 17 ASN HBx 1.0 . 4.92 316 257 A 14 SER HA A 17 ASN HBy 1.0 . 3.83 317 257 A 14 SER HA A 17 ASN HBx 1.0 . 3.83 318 258 A 15 SER H A 14 SER HBx 1.0 . 4.06 319 258 A 15 SER H A 14 SER HBy 1.0 . 4.06 320 259 A 15 SER H A 15 SER HBx 1.0 . 3.33 321 259 A 15 SER H A 15 SER HBy 1.0 . 3.33 322 260 A 16 VAL H A 15 SER HBx 1.0 . 4.07 323 260 A 16 VAL H A 15 SER HBy 1.0 . 4.07 324 261 A 15 SER HBx A 16 VAL HGy% 1.0 . 4.13 325 261 A 15 SER HBy A 16 VAL HGy% 1.0 . 4.13 326 261 A 16 VAL HGx% A 15 SER HBx 1.0 . 4.13 327 261 A 16 VAL HGx% A 15 SER HBy 1.0 . 4.13 328 262 A 17 ASN H A 15 SER HBx 1.0 . 4.74 329 262 A 17 ASN H A 15 SER HBy 1.0 . 4.74 330 263 A 16 VAL H A 16 VAL HGy% 1.0 . 3.21 331 263 A 16 VAL H A 16 VAL HGx% 1.0 . 3.21 332 264 A 16 VAL HA A 16 VAL HGy% 1.0 . 2.91 333 264 A 16 VAL HA A 16 VAL HGx% 1.0 . 2.91 334 265 A 17 ASN H A 16 VAL HGy% 1.0 . 3.72 335 265 A 17 ASN H A 16 VAL HGx% 1.0 . 3.72 336 266 A 17 ASN HA A 16 VAL HGy% 1.0 . 4.70 337 266 A 17 ASN HA A 16 VAL HGx% 1.0 . 4.70 338 267 A 16 VAL HGy% A 20 GLU HGy 1.0 . 4.06 339 267 A 16 VAL HGx% A 20 GLU HGy 1.0 . 4.06 340 267 A 20 GLU HGx A 16 VAL HGy% 1.0 . 4.06 341 267 A 16 VAL HGx% A 20 GLU HGx 1.0 . 4.06 342 268 A 17 ASN H A 17 ASN HBy 1.0 . 3.45 343 268 A 17 ASN H A 17 ASN HBx 1.0 . 3.45 344 269 A 17 ASN HA A 17 ASN HD2x 1.0 . 4.90 345 269 A 17 ASN HA A 17 ASN HD2y 1.0 . 4.90 346 270 A 17 ASN HA A 20 GLU HBy 1.0 . 3.85 347 270 A 17 ASN HA A 20 GLU HBx 1.0 . 3.85 348 271 A 18 TRP H A 17 ASN HBy 1.0 . 4.04 349 271 A 18 TRP H A 17 ASN HBx 1.0 . 4.04 350 272 A 18 TRP H A 17 ASN HD2x 1.0 . 5.34 351 272 A 18 TRP H A 17 ASN HD2y 1.0 . 5.34 352 273 A 18 TRP H A 18 TRP HBx 1.0 . 3.34 353 273 A 18 TRP H A 18 TRP HBy 1.0 . 3.34 354 274 A 19 GLY H A 18 TRP HBx 1.0 . 3.94 355 274 A 19 GLY H A 18 TRP HBy 1.0 . 3.94 356 275 A 20 GLU H A 20 GLU HBy 1.0 . 3.27 357 275 A 20 GLU H A 20 GLU HBx 1.0 . 3.27 358 276 A 20 GLU H A 20 GLU HGy 1.0 . 3.66 359 276 A 20 GLU H A 20 GLU HGx 1.0 . 3.66 360 277 A 20 GLU H A 23 SER HBx 1.0 . 4.63 361 277 A 20 GLU H A 23 SER HBy 1.0 . 4.63 362 278 A 20 GLU HA A 20 GLU HGy 1.0 . 3.48 363 278 A 20 GLU HA A 20 GLU HGx 1.0 . 3.48 364 279 A 21 ALA H A 20 GLU HBy 1.0 . 3.59 365 279 A 21 ALA H A 20 GLU HBx 1.0 . 3.59 366 280 A 21 ALA H A 23 SER HBx 1.0 . 4.90 367 280 A 21 ALA H A 23 SER HBy 1.0 . 4.90 368 281 A 22 PHE HA A 26 VAL HGy% 1.0 . 4.58 369 281 A 22 PHE HA A 26 VAL HGx% 1.0 . 4.58 370 282 A 23 SER H A 23 SER HBx 1.0 . 2.99 371 282 A 23 SER H A 23 SER HBy 1.0 . 2.99 372 283 A 23 SER HA A 26 VAL HGy% 1.0 . 3.63 373 283 A 23 SER HA A 26 VAL HGx% 1.0 . 3.63 374 284 A 24 ALA HB% A 25 GLY HAy 1.0 . 4.70 375 284 A 24 ALA HB% A 25 GLY HAx 1.0 . 4.70 376 285 A 28 ARG H A 25 GLY HAy 1.0 . 4.29 377 285 A 28 ARG H A 25 GLY HAx 1.0 . 4.29 378 286 A 26 VAL H A 26 VAL HGy% 1.0 . 3.33 379 286 A 26 VAL H A 26 VAL HGx% 1.0 . 3.33 380 287 A 26 VAL HA A 26 VAL HGy% 1.0 . 2.96 381 287 A 26 VAL HA A 26 VAL HGx% 1.0 . 2.96 382 288 A 26 VAL HA A 29 LEU HBy 1.0 . 3.72 383 288 A 26 VAL HA A 29 LEU HBx 1.0 . 3.72 384 289 A 26 VAL HA A 29 LEU HDx% 1.0 . 4.00 385 289 A 26 VAL HA A 29 LEU HDy% 1.0 . 4.00 386 290 A 26 VAL HA A 35 GLY HAx 1.0 . 3.52 387 290 A 26 VAL HA A 35 GLY HAy 1.0 . 3.52 388 291 A 26 VAL HB A 29 LEU HDx% 1.0 . 4.75 389 291 A 26 VAL HB A 29 LEU HDy% 1.0 . 4.75 390 292 A 27 HIS H A 26 VAL HGy% 1.0 . 3.97 391 292 A 27 HIS H A 26 VAL HGx% 1.0 . 3.97 392 293 A 27 HIS HA A 26 VAL HGy% 1.0 . 4.38 393 293 A 27 HIS HA A 26 VAL HGx% 1.0 . 4.38 394 294 A 28 ARG H A 26 VAL HGy% 1.0 . 5.44 395 294 A 28 ARG H A 26 VAL HGx% 1.0 . 5.44 396 295 A 29 LEU H A 26 VAL HGy% 1.0 . 5.44 397 295 A 29 LEU H A 26 VAL HGx% 1.0 . 5.44 398 296 A 26 VAL HGy% A 29 LEU HDx% 1.0 . 3.52 399 296 A 26 VAL HGx% A 29 LEU HDx% 1.0 . 3.52 400 296 A 29 LEU HDy% A 26 VAL HGy% 1.0 . 3.52 401 296 A 26 VAL HGx% A 29 LEU HDy% 1.0 . 3.52 402 297 A 30 ALA H A 26 VAL HGy% 1.0 . 4.96 403 297 A 30 ALA H A 26 VAL HGx% 1.0 . 4.96 404 298 A 30 ALA HB% A 26 VAL HGy% 1.0 . 4.18 405 298 A 30 ALA HB% A 26 VAL HGx% 1.0 . 4.18 406 299 A 27 HIS HBx A 28 ARG HDx 1.0 . 4.34 407 299 A 27 HIS HBy A 28 ARG HDx 1.0 . 4.34 408 299 A 28 ARG HDy A 27 HIS HBx 1.0 . 4.34 409 299 A 27 HIS HBy A 28 ARG HDy 1.0 . 4.34 410 300 A 28 ARG H A 28 ARG HGy 1.0 . 4.05 411 300 A 28 ARG H A 28 ARG HGx 1.0 . 4.05 412 301 A 28 ARG H A 29 LEU HBy 1.0 . 4.88 413 301 A 28 ARG H A 29 LEU HBx 1.0 . 4.88 414 302 A 28 ARG HA A 28 ARG HGy 1.0 . 3.71 415 302 A 28 ARG HA A 28 ARG HGx 1.0 . 3.71 416 303 A 28 ARG HA A 28 ARG HDx 1.0 . 4.31 417 303 A 28 ARG HA A 28 ARG HDy 1.0 . 4.31 418 304 A 28 ARG HA A 31 ASN HBy 1.0 . 4.56 419 304 A 28 ARG HA A 31 ASN HBx 1.0 . 4.56 420 305 A 28 ARG HBx A 28 ARG HDx 1.0 . 3.57 421 305 A 28 ARG HBy A 28 ARG HDx 1.0 . 3.57 422 305 A 28 ARG HDy A 28 ARG HBx 1.0 . 3.57 423 305 A 28 ARG HBy A 28 ARG HDy 1.0 . 3.57 424 306 A 29 LEU H A 29 LEU HBy 1.0 . 3.22 425 306 A 29 LEU H A 29 LEU HBx 1.0 . 3.22 426 307 A 29 LEU H A 29 LEU HDx% 1.0 . 4.00 427 307 A 29 LEU H A 29 LEU HDy% 1.0 . 4.00 428 308 A 29 LEU HA A 29 LEU HDx% 1.0 . 3.31 429 308 A 29 LEU HA A 29 LEU HDy% 1.0 . 3.31 430 309 A 29 LEU HA A 32 GLY HAx 1.0 . 4.91 431 309 A 29 LEU HA A 32 GLY HAy 1.0 . 4.91 432 310 A 29 LEU HA A 33 GLY HAx 1.0 . 4.22 433 310 A 29 LEU HA A 33 GLY HAy 1.0 . 4.22 434 311 A 29 LEU HBy A 29 LEU HDx% 1.0 . 2.82 435 311 A 29 LEU HBx A 29 LEU HDx% 1.0 . 2.82 436 311 A 29 LEU HDy% A 29 LEU HBy 1.0 . 2.82 437 311 A 29 LEU HBx A 29 LEU HDy% 1.0 . 2.82 438 312 A 30 ALA H A 29 LEU HBy 1.0 . 3.71 439 312 A 30 ALA H A 29 LEU HBx 1.0 . 3.71 440 313 A 30 ALA H A 29 LEU HDx% 1.0 . 4.77 441 313 A 30 ALA H A 29 LEU HDy% 1.0 . 4.77 442 314 A 31 ASN H A 31 ASN HBy 1.0 . 3.42 443 314 A 31 ASN H A 31 ASN HBx 1.0 . 3.42 444 315 A 31 ASN HA A 31 ASN HD2y 1.0 . 3.38 445 315 A 31 ASN HA A 31 ASN HD2x 1.0 . 3.38 446 316 A 32 GLY H A 33 GLY HAx 1.0 . 4.91 447 316 A 32 GLY H A 33 GLY HAy 1.0 . 4.91 448 317 A 34 ASN H A 34 ASN HBy 1.0 . 3.46 449 317 A 34 ASN H A 34 ASN HBx 1.0 . 3.46 450 318 A 34 ASN HBx A 35 GLY HAx 1.0 . 5.18 451 318 A 34 ASN HBy A 35 GLY HAx 1.0 . 5.18 452 318 A 35 GLY HAy A 34 ASN HBy 1.0 . 5.18 453 318 A 35 GLY HAy A 34 ASN HBx 1.0 . 5.18 454 319 A 36 PHE H A 36 PHE HBy 1.0 . 3.42 455 319 A 36 PHE H A 36 PHE HBx 1.0 . 3.42 456 320 A 36 PHE H A 37 TRP HBx 1.0 . 4.66 457 320 A 36 PHE H A 37 TRP HBy 1.0 . 4.66 458 321 A 37 TRP H A 37 TRP HBx 1.0 . 3.63 459 321 A 37 TRP H A 37 TRP HBy 1.0 . 3.63 460 322 A 37 TRP HZ3 A 37 TRP HBx 1.0 . 5.09 461 322 A 37 TRP HBy A 37 TRP HZ3 1.0 . 5.09 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 6 GLY C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -87.2 -36.8 PHI 2 2 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 HIS N 1.0 -54.5 -14.5 PSI 3 3 A 9 SER C A 10 THR N A 10 THR CA A 10 THR C 1.0 -93.0 -41.1 PHI 4 4 A 10 THR N A 10 THR CA A 10 THR C A 11 LYS N 1.0 -69.7 -8.8 PSI 5 5 A 10 THR C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -84.9 -44.9 PHI 6 6 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 SER N 1.0 -71.3 -2.3 PSI 7 7 A 11 LYS C A 12 SER N A 12 SER CA A 12 SER C 1.0 -106.7 -46.6 PHI 8 8 A 12 SER N A 12 SER CA A 12 SER C A 13 GLY N 1.0 -61.5 3.4 PSI 9 9 A 13 GLY C A 14 SER N A 14 SER CA A 14 SER C 1.0 -85.6 -45.6 PHI 10 10 A 14 SER N A 14 SER CA A 14 SER C A 15 SER N 1.0 -68.0 -6.4 PSI 11 11 A 14 SER C A 15 SER N A 15 SER CA A 15 SER C 1.0 -87.3 -42.8 PHI 12 12 A 15 SER N A 15 SER CA A 15 SER C A 16 VAL N 1.0 -73.0 -4.8 PSI 13 13 A 15 SER C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -80.5 -40.5 PHI 14 14 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 ASN N 1.0 -64.3 -24.3 PSI 15 15 A 17 ASN C A 18 TRP N A 18 TRP CA A 18 TRP C 1.0 -84.8 -44.8 PHI 16 16 A 18 TRP N A 18 TRP CA A 18 TRP C A 19 GLY N 1.0 -63.6 -23.6 PSI 17 17 A 18 TRP C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 -82.0 -42.0 PHI 18 18 A 19 GLY N A 19 GLY CA A 19 GLY C A 20 GLU N 1.0 -59.7 -19.7 PSI 19 19 A 19 GLY C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -85.2 -45.2 PHI 20 20 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 ALA N 1.0 -62.3 -22.3 PSI 21 21 A 20 GLU C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -85.2 -45.2 PHI 22 22 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 PHE N 1.0 -59.5 -19.5 PSI 23 23 A 21 ALA C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -85.4 -45.4 PHI 24 24 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 SER N 1.0 -62.9 -22.9 PSI 25 25 A 22 PHE C A 23 SER N A 23 SER CA A 23 SER C 1.0 -81.7 -41.7 PHI 26 26 A 23 SER N A 23 SER CA A 23 SER C A 24 ALA N 1.0 -60.1 -20.1 PSI 27 27 A 25 GLY C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -81.9 -41.9 PHI 28 28 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 HIS N 1.0 -65.3 -25.3 PSI 29 29 A 26 VAL C A 27 HIS N A 27 HIS CA A 27 HIS C 1.0 -82.2 -42.2 PHI 30 30 A 27 HIS N A 27 HIS CA A 27 HIS C A 28 ARG N 1.0 -59.6 -19.6 PSI 31 31 A 29 LEU C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -88.2 -48.2 PHI 32 32 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 ASN N 1.0 -58.4 10.0 PSI 33 33 A 30 ALA C A 31 ASN N A 31 ASN CA A 31 ASN C 1.0 -110.5 -68.3 PHI 34 34 A 31 ASN N A 31 ASN CA A 31 ASN C A 32 GLY N 1.0 -29.3 18.9 PSI stop_ save_