data_nef_c25966_2nb8 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 25965 PDB 2NB8 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 38 ILE start . . 2 A 39 ALA middle . . 3 A 40 ILE middle . . 4 A 41 LEU middle . . 5 A 42 ASN middle . . 6 A 43 LYS middle . . 7 A 44 LEU middle . . 8 A 45 CYS middle . . 9 A 46 GLU middle . . 10 A 47 TYR middle . . 11 A 48 ASN middle . . 12 A 49 VAL middle . . 13 A 50 PHE middle . . 14 A 51 HIS middle . . 15 A 52 ASN middle . . 16 A 53 LYS middle . . 17 A 54 THR middle . . 18 A 55 PHE middle . . 19 A 56 GLU middle . . 20 A 57 LEU middle . . 21 A 58 PRO middle . false 22 A 59 ARG middle . . 23 A 60 ALA middle . . 24 A 61 ARG middle . . 25 A 62 VAL middle . . 26 A 63 ASN middle . . 27 A 64 THR 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 38 ILE H1 H 1 8.589 0.020 A 38 ILE HA H 1 3.679 0.020 A 38 ILE HB H 1 2.052 0.020 A 38 ILE HD1% H 1 0.842 0.020 A 38 ILE HG1x H 1 1.643 0.020 A 38 ILE HG1y H 1 1.643 0.020 A 38 ILE HG2% H 1 0.944 0.020 A 38 ILE CA C 13 65.499 0.300 A 38 ILE CB C 13 37.578 0.300 A 38 ILE CD1 C 13 13.386 0.300 A 38 ILE CG1 C 13 27.730 0.300 A 38 ILE CG2 C 13 17.405 0.300 A 38 ILE N N 15 119.322 0.300 A 39 ALA H H 1 8.145 0.020 A 39 ALA HA H 1 4.232 0.020 A 39 ALA HB% H 1 1.608 0.020 A 39 ALA CA C 13 55.501 0.300 A 39 ALA CB C 13 18.229 0.300 A 39 ALA N N 15 123.362 0.300 A 40 ILE H H 1 8.475 0.020 A 40 ILE HA H 1 3.633 0.020 A 40 ILE HB H 1 2.001 0.020 A 40 ILE HD1% H 1 0.830 0.020 A 40 ILE HG1y H 1 1.167 0.020 A 40 ILE HG1x H 1 1.122 0.020 A 40 ILE HG2% H 1 0.920 0.020 A 40 ILE CA C 13 65.742 0.300 A 40 ILE CB C 13 37.418 0.300 A 40 ILE CD1 C 13 13.335 0.300 A 40 ILE CG1 C 13 29.457 0.300 A 40 ILE CG2 C 13 17.345 0.300 A 40 ILE N N 15 119.098 0.300 A 41 LEU H H 1 8.612 0.020 A 41 LEU HA H 1 4.144 0.020 A 41 LEU HBx H 1 1.954 0.020 A 41 LEU HBy H 1 1.954 0.020 A 41 LEU CA C 13 58.793 0.300 A 41 LEU CB C 13 41.812 0.300 A 41 LEU N N 15 121.795 0.300 A 42 ASN H H 1 8.787 0.020 A 42 ASN HA H 1 5.151 0.020 A 42 ASN HBy H 1 2.906 0.020 A 42 ASN HBx H 1 2.810 0.020 A 42 ASN C C 13 174.989 0.300 A 42 ASN CA C 13 57.048 0.300 A 42 ASN CB C 13 38.983 0.300 A 42 ASN N N 15 117.795 0.300 A 43 LYS H H 1 7.835 0.020 A 43 LYS HA H 1 4.271 0.020 A 43 LYS HBx H 1 1.651 0.020 A 43 LYS HBy H 1 1.651 0.020 A 43 LYS HDx H 1 1.794 0.020 A 43 LYS HDy H 1 1.794 0.020 A 43 LYS HEx H 1 3.023 0.020 A 43 LYS HEy H 1 3.023 0.020 A 43 LYS HGx H 1 1.546 0.020 A 43 LYS HGy H 1 1.546 0.020 A 43 LYS CA C 13 57.821 0.300 A 43 LYS CB C 13 33.314 0.300 A 43 LYS CD C 13 28.069 0.300 A 43 LYS CE C 13 41.883 0.300 A 43 LYS CG C 13 24.647 0.300 A 43 LYS N N 15 120.017 0.300 A 44 LEU H H 1 8.452 0.020 A 44 LEU HA H 1 4.043 0.020 A 44 LEU HBx H 1 2.075 0.020 A 44 LEU HBy H 1 2.075 0.020 A 44 LEU HDx% H 1 0.869 0.020 A 44 LEU HDy% H 1 0.880 0.020 A 44 LEU HG H 1 2.007 0.020 A 44 LEU CA C 13 58.237 0.300 A 44 LEU CB C 13 41.608 0.300 A 44 LEU CDx C 13 23.538 0.300 A 44 LEU CDy C 13 25.210 0.300 A 44 LEU CG C 13 26.779 0.300 A 44 LEU N N 15 119.501 0.300 A 45 CYS H H 1 8.141 0.020 A 45 CYS HA H 1 4.347 0.020 A 45 CYS HBy H 1 3.193 0.020 A 45 CYS HBx H 1 3.041 0.020 A 45 CYS CA C 13 63.869 0.300 A 45 CYS CB C 13 26.599 0.300 A 45 CYS N N 15 116.970 0.300 A 46 GLU H H 1 8.075 0.020 A 46 GLU HA H 1 4.108 0.020 A 46 GLU HBy H 1 2.212 0.020 A 46 GLU HBx H 1 2.171 0.020 A 46 GLU HGx H 1 2.486 0.020 A 46 GLU HGy H 1 2.486 0.020 A 46 GLU C C 13 174.230 0.300 A 46 GLU CA C 13 58.584 0.300 A 46 GLU CB C 13 29.641 0.300 A 46 GLU CG C 13 35.832 0.300 A 46 GLU N N 15 121.277 0.300 A 47 TYR H H 1 7.928 0.020 A 47 TYR HA H 1 4.488 0.020 A 47 TYR HBy H 1 3.235 0.020 A 47 TYR HBx H 1 2.974 0.020 A 47 TYR HDx H 1 7.221 0.020 A 47 TYR HDy H 1 7.221 0.020 A 47 TYR HEx H 1 6.771 0.020 A 47 TYR HEy H 1 6.771 0.020 A 47 TYR C C 13 172.918 0.300 A 47 TYR CA C 13 59.289 0.300 A 47 TYR CB C 13 38.834 0.300 A 47 TYR CD1 C 13 132.761 0.300 A 47 TYR CD2 C 13 132.761 0.300 A 47 TYR CE1 C 13 118.225 0.300 A 47 TYR CE2 C 13 118.225 0.300 A 47 TYR N N 15 118.261 0.300 A 48 ASN H H 1 8.192 0.020 A 48 ASN HA H 1 4.637 0.020 A 48 ASN HBy H 1 3.027 0.020 A 48 ASN HBx H 1 2.795 0.020 A 48 ASN HD2x H 1 6.899 0.020 A 48 ASN HD2y H 1 7.588 0.020 A 48 ASN C C 13 173.414 0.300 A 48 ASN CA C 13 54.696 0.300 A 48 ASN CB C 13 38.728 0.300 A 48 ASN N N 15 118.208 0.300 A 48 ASN ND2 N 15 113.246 0.300 A 49 VAL H H 1 7.763 0.020 A 49 VAL HA H 1 3.900 0.020 A 49 VAL HB H 1 1.933 0.020 A 49 VAL HGx% H 1 0.818 0.020 A 49 VAL HGy% H 1 0.697 0.020 A 49 VAL C C 13 173.224 0.300 A 49 VAL CA C 13 64.264 0.300 A 49 VAL CB C 13 31.963 0.300 A 49 VAL CGy C 13 21.317 0.300 A 49 VAL CGx C 13 21.149 0.300 A 49 VAL N N 15 117.542 0.300 A 50 PHE H H 1 7.834 0.020 A 50 PHE HA H 1 4.631 0.020 A 50 PHE HBy H 1 3.225 0.020 A 50 PHE HBx H 1 2.993 0.020 A 50 PHE HDx H 1 7.259 0.020 A 50 PHE HDy H 1 7.259 0.020 A 50 PHE C C 13 173.005 0.300 A 50 PHE CA C 13 57.991 0.300 A 50 PHE CB C 13 39.252 0.300 A 50 PHE CD1 C 13 131.154 0.300 A 50 PHE CD2 C 13 131.154 0.300 A 50 PHE N N 15 118.024 0.300 A 51 HIS H H 1 8.073 0.020 A 51 HIS HA H 1 4.615 0.020 A 51 HIS HBy H 1 3.319 0.020 A 51 HIS HBx H 1 3.135 0.020 A 51 HIS C C 13 171.430 0.300 A 51 HIS CA C 13 56.003 0.300 A 51 HIS CB C 13 28.832 0.300 A 51 HIS N N 15 118.094 0.300 A 52 ASN H H 1 8.332 0.020 A 52 ASN HA H 1 4.697 0.020 A 52 ASN HBy H 1 2.905 0.020 A 52 ASN HBx H 1 2.834 0.020 A 52 ASN C C 13 172.451 0.300 A 52 ASN CA C 13 53.713 0.300 A 52 ASN CB C 13 39.120 0.300 A 52 ASN N N 15 119.526 0.300 A 53 LYS H H 1 8.304 0.020 A 53 LYS HA H 1 4.347 0.020 A 53 LYS HBy H 1 1.862 0.020 A 53 LYS HBx H 1 1.812 0.020 A 53 LYS HDx H 1 1.700 0.020 A 53 LYS HDy H 1 1.700 0.020 A 53 LYS HEx H 1 3.033 0.020 A 53 LYS HEy H 1 3.033 0.020 A 53 LYS HGy H 1 1.463 0.020 A 53 LYS HGx H 1 1.422 0.020 A 53 LYS C C 13 173.661 0.300 A 53 LYS CA C 13 56.682 0.300 A 53 LYS CB C 13 32.871 0.300 A 53 LYS CD C 13 29.181 0.300 A 53 LYS CE C 13 42.224 0.300 A 53 LYS CG C 13 24.663 0.300 A 53 LYS N N 15 121.418 0.300 A 54 THR H H 1 8.009 0.020 A 54 THR HA H 1 4.289 0.020 A 54 THR HB H 1 4.128 0.020 A 54 THR HG2% H 1 1.131 0.020 A 54 THR C C 13 171.343 0.300 A 54 THR CA C 13 62.361 0.300 A 54 THR CB C 13 69.686 0.300 A 54 THR CG2 C 13 21.608 0.300 A 54 THR N N 15 114.789 0.300 A 55 PHE H H 1 8.127 0.020 A 55 PHE HA H 1 4.660 0.020 A 55 PHE HBy H 1 3.154 0.020 A 55 PHE HBx H 1 3.006 0.020 A 55 PHE HDx H 1 7.242 0.020 A 55 PHE HDy H 1 7.242 0.020 A 55 PHE C C 13 171.941 0.300 A 55 PHE CA C 13 57.687 0.300 A 55 PHE CB C 13 39.723 0.300 A 55 PHE CD1 C 13 131.000 0.300 A 55 PHE CD2 C 13 131.000 0.300 A 55 PHE N N 15 122.311 0.300 A 56 GLU H H 1 7.998 0.020 A 56 GLU HA H 1 4.377 0.020 A 56 GLU HBy H 1 2.010 0.020 A 56 GLU HBx H 1 1.887 0.020 A 56 GLU HGx H 1 2.244 0.020 A 56 GLU HGy H 1 2.244 0.020 A 56 GLU C C 13 172.130 0.300 A 56 GLU CA C 13 55.426 0.300 A 56 GLU CB C 13 30.849 0.300 A 56 GLU CG C 13 35.718 0.300 A 56 GLU N N 15 122.821 0.300 A 57 LEU H H 1 8.237 0.020 A 57 LEU HA H 1 4.554 0.020 A 57 LEU HBy H 1 1.653 0.020 A 57 LEU HBx H 1 1.589 0.020 A 57 LEU HDx% H 1 1.008 0.020 A 57 LEU HDy% H 1 0.974 0.020 A 57 LEU HG H 1 1.754 0.020 A 57 LEU C C 13 172.378 0.300 A 57 LEU CA C 13 53.189 0.300 A 57 LEU CB C 13 41.698 0.300 A 57 LEU CDy C 13 25.296 0.300 A 57 LEU CDx C 13 23.866 0.300 A 57 LEU CG C 13 27.042 0.300 A 57 LEU N N 15 125.352 0.300 A 58 PRO HA H 1 4.454 0.020 A 58 PRO HBy H 1 2.337 0.020 A 58 PRO HBx H 1 2.317 0.020 A 58 PRO HDy H 1 3.886 0.020 A 58 PRO HDx H 1 3.644 0.020 A 58 PRO HGy H 1 2.080 0.020 A 58 PRO HGx H 1 1.932 0.020 A 58 PRO CA C 13 63.116 0.300 A 58 PRO CB C 13 31.840 0.300 A 58 PRO CD C 13 50.487 0.300 A 58 PRO CG C 13 27.431 0.300 A 59 ARG H H 1 8.270 0.020 A 59 ARG HA H 1 4.360 0.020 A 59 ARG HBx H 1 1.798 0.020 A 59 ARG HBy H 1 1.798 0.020 A 59 ARG HDx H 1 3.238 0.020 A 59 ARG HDy H 1 3.238 0.020 A 59 ARG HGy H 1 1.712 0.020 A 59 ARG HGx H 1 1.691 0.020 A 59 ARG C C 13 173.773 0.300 A 59 ARG CA C 13 55.872 0.300 A 59 ARG CB C 13 30.970 0.300 A 59 ARG CD C 13 43.247 0.300 A 59 ARG CG C 13 27.187 0.300 A 59 ARG N N 15 121.466 0.300 A 59 ARG NE N 15 85.744 0.300 A 60 ALA H H 1 8.266 0.020 A 60 ALA HA H 1 4.345 0.020 A 60 ALA HB% H 1 1.421 0.020 A 60 ALA C C 13 174.639 0.300 A 60 ALA CA C 13 52.514 0.300 A 60 ALA CB C 13 19.505 0.300 A 60 ALA N N 15 125.466 0.300 A 61 ARG H H 1 8.280 0.020 A 61 ARG HA H 1 4.396 0.020 A 61 ARG HBy H 1 1.917 0.020 A 61 ARG HBx H 1 1.819 0.020 A 61 ARG HDx H 1 3.249 0.020 A 61 ARG HDy H 1 3.249 0.020 A 61 ARG HE H 1 7.232 0.020 A 61 ARG HGy H 1 1.700 0.020 A 61 ARG HGx H 1 1.678 0.020 A 61 ARG C C 13 174.666 0.300 A 61 ARG CA C 13 55.995 0.300 A 61 ARG CB C 13 32.011 0.300 A 61 ARG CD C 13 43.475 0.300 A 61 ARG CG C 13 26.900 0.300 A 61 ARG N N 15 121.128 0.300 A 61 ARG NE N 15 85.742 0.300 A 62 VAL H H 1 8.118 0.020 A 62 VAL HA H 1 4.209 0.020 A 62 VAL HB H 1 2.130 0.020 A 62 VAL HGx% H 1 0.975 0.020 A 62 VAL HGy% H 1 0.922 0.020 A 62 VAL C C 13 172.816 0.300 A 62 VAL CA C 13 62.206 0.300 A 62 VAL CB C 13 32.943 0.300 A 62 VAL CGx C 13 21.407 0.300 A 62 VAL CGy C 13 24.667 0.300 A 62 VAL N N 15 121.426 0.300 A 63 ASN H H 1 8.500 0.020 A 63 ASN HA H 1 4.825 0.020 A 63 ASN HBx H 1 2.802 0.020 A 63 ASN HBy H 1 2.924 0.020 A 63 ASN C C 13 172.101 0.300 A 63 ASN CA C 13 53.495 0.300 A 63 ASN CB C 13 38.737 0.300 A 63 ASN N N 15 123.127 0.300 A 64 THR H H 1 7.731 0.020 A 64 THR HA H 1 4.190 0.020 A 64 THR HB H 1 4.280 0.020 A 64 THR HG2% H 1 0.951 0.020 A 64 THR C C 13 174.464 0.300 A 64 THR CA C 13 63.224 0.300 A 64 THR CB C 13 70.782 0.300 A 64 THR N N 15 119.901 0.300 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 53 LYS H A 52 ASN HBx 1.0 . 4.08 2 2 A 61 ARG H A 62 VAL H 1.0 . 3.58 3 3 A 53 LYS H A 52 ASN HBy 1.0 . 4.08 4 4 A 53 LYS H A 53 LYS HGy 1.0 . 4.19 5 5 A 53 LYS H A 53 LYS HEx 1.0 . 4.02 6 5 A 53 LYS H A 53 LYS HEy 1.0 . 4.02 7 6 A 53 LYS H A 53 LYS HBx 1.0 . 3.55 8 7 A 48 ASN HA A 48 ASN HD2y 1.0 . 3.52 9 8 A 48 ASN HD2y A 48 ASN H 1.0 . 4.40 10 9 A 48 ASN HD2y A 48 ASN HBx 1.0 . 3.82 11 10 A 47 TYR H A 49 VAL H 1.0 . 4.05 12 11 A 49 VAL H A 49 VAL HGx% 1.0 . 3.96 13 12 A 48 ASN H A 49 VAL H 1.0 . 4.10 14 13 A 48 ASN HBx A 49 VAL H 1.0 . 4.58 15 14 A 49 VAL H A 49 VAL HGy% 1.0 . 3.96 16 15 A 49 VAL H A 48 ASN HD2x 1.0 . 5.24 17 16 A 49 VAL H A 49 VAL HB 1.0 . 4.07 18 17 A 49 VAL H A 48 ASN HBy 1.0 . 4.17 19 18 A 49 VAL H A 47 TYR HD% 1.0 . 5.50 20 19 A 40 ILE H A 40 ILE HB 1.0 . 4.19 21 20 A 40 ILE H A 39 ALA HB% 1.0 . 4.12 22 21 A 49 VAL H A 51 HIS H 1.0 . 3.98 23 22 A 51 HIS H A 51 HIS HBy 1.0 . 3.50 24 23 A 51 HIS H A 50 PHE HD% 1.0 . 4.48 25 24 A 51 HIS H A 51 HIS HBx 1.0 . 3.54 26 25 A 51 HIS H A 50 PHE HBx 1.0 . 3.93 27 26 A 51 HIS H A 52 ASN H 1.0 . 3.55 28 27 A 51 HIS H A 50 PHE H 1.0 . 3.79 29 28 A 51 HIS H A 50 PHE HBy 1.0 . 3.93 30 29 A 63 ASN HA A 64 THR H 1.0 . 2.99 31 30 A 64 THR H A 63 ASN H 1.0 . 4.60 32 31 A 64 THR H A 64 THR HB 1.0 . 3.95 33 32 A 64 THR H A 64 THR HG2% 1.0 . 4.06 34 33 A 48 ASN H A 47 TYR H 1.0 . 4.18 35 34 A 47 TYR H A 46 GLU H 1.0 . 4.13 36 35 A 47 TYR H A 45 CYS H 1.0 . 4.83 37 36 A 47 TYR H A 47 TYR HE% 1.0 . 5.19 38 37 A 47 TYR H A 43 LYS HA 1.0 . 4.67 39 38 A 47 TYR H A 46 GLU HBx 1.0 . 4.93 40 39 A 47 TYR H A 47 TYR HD% 1.0 . 4.10 41 40 A 53 LYS H A 54 THR H 1.0 . 4.27 42 41 A 54 THR H A 54 THR HA 1.0 . 2.94 43 42 A 54 THR H A 53 LYS HGx 1.0 . 4.36 44 43 A 54 THR H A 53 LYS HA 1.0 . 3.03 45 44 A 54 THR H A 55 PHE H 1.0 . 3.06 46 45 A 53 LYS HGy A 54 THR H 1.0 . 4.70 47 46 A 53 LYS HBx A 54 THR H 1.0 . 3.55 48 47 A 54 THR H A 54 THR HB 1.0 . 3.76 49 48 A 54 THR H A 53 LYS HEx 1.0 . 4.81 50 48 A 53 LYS HEy A 54 THR H 1.0 . 4.81 51 49 A 54 THR H A 53 LYS HBy 1.0 . 3.63 52 50 A 48 ASN H A 47 TYR HBx 1.0 . 4.00 53 51 A 48 ASN H A 48 ASN HBx 1.0 . 3.94 54 52 A 48 ASN H A 47 TYR HBy 1.0 . 4.00 55 53 A 48 ASN H A 46 GLU H 1.0 . 4.18 56 54 A 48 ASN H A 48 ASN HBy 1.0 . 3.96 57 55 A 48 ASN H A 50 PHE H 1.0 . 4.33 58 56 A 48 ASN H A 47 TYR HD% 1.0 . 4.74 59 57 A 61 ARG HA A 61 ARG HE 1.0 . 4.04 60 58 A 61 ARG HE A 55 PHE HBy 1.0 . 4.49 61 59 A 61 ARG HE A 61 ARG HBx 1.0 . 4.13 62 60 A 55 PHE H A 61 ARG HE 1.0 . 5.50 63 61 A 61 ARG HE A 61 ARG HGy 1.0 . 3.83 64 62 A 61 ARG HE A 61 ARG HBy 1.0 . 4.57 65 63 A 61 ARG HE A 55 PHE HA 1.0 . 2.75 66 64 A 63 ASN H A 62 VAL HGy% 1.0 . 4.14 67 65 A 63 ASN H A 62 VAL HA 1.0 . 2.57 68 66 A 63 ASN H A 62 VAL HGx% 1.0 . 4.14 69 67 A 63 ASN H A 62 VAL HB 1.0 . 4.05 70 68 A 63 ASN H A 63 ASN HBx 1.0 . 3.75 71 69 A 63 ASN H A 63 ASN HBy 1.0 . 3.75 72 70 A 54 THR HA A 55 PHE H 1.0 . 2.64 73 71 A 55 PHE H A 55 PHE HBy 1.0 . 2.98 74 72 A 55 PHE H A 55 PHE HD% 1.0 . 2.88 75 73 A 55 PHE H A 54 THR HG2% 1.0 . 3.94 76 74 A 40 ILE HA A 44 LEU H 1.0 . 5.04 77 75 A 44 LEU H A 43 LYS HGx 1.0 . 4.62 78 75 A 44 LEU H A 43 LYS HGy 1.0 . 4.62 79 76 A 44 LEU H A 43 LYS HDx 1.0 . 4.84 80 76 A 44 LEU H A 43 LYS HDy 1.0 . 4.84 81 77 A 44 LEU H A 44 LEU HG 1.0 . 4.59 82 78 A 44 LEU H A 44 LEU HDy% 1.0 . 3.96 83 79 A 57 LEU H A 56 GLU HGx 1.0 . 4.04 84 79 A 56 GLU HGy A 57 LEU H 1.0 . 4.04 85 80 A 57 LEU H A 57 LEU HBx 1.0 . 2.84 86 81 A 57 LEU H A 56 GLU HBy 1.0 . 3.28 87 82 A 57 LEU H A 56 GLU HBx 1.0 . 3.22 88 83 A 57 LEU H A 58 PRO HDy 1.0 . 4.81 89 84 A 57 LEU H A 56 GLU HA 1.0 . 2.89 90 85 A 57 LEU H A 57 LEU HDx% 1.0 . 3.80 91 86 A 57 LEU H A 56 GLU H 1.0 . 4.38 92 87 A 57 LEU H A 57 LEU HG 1.0 . 3.80 93 88 A 40 ILE H A 39 ALA H 1.0 . 4.28 94 89 A 58 PRO HA A 59 ARG H 1.0 . 2.98 95 90 A 60 ALA H A 60 ALA HB% 1.0 . 2.98 96 91 A 60 ALA H A 61 ARG HGx 1.0 . 3.04 97 92 A 57 LEU H A 57 LEU HDy% 1.0 . 3.80 98 93 A 60 ALA H A 59 ARG HDx 1.0 . 5.25 99 93 A 60 ALA H A 59 ARG HDy 1.0 . 5.25 100 94 A 60 ALA H A 61 ARG HDx 1.0 . 5.50 101 94 A 60 ALA H A 61 ARG HDy 1.0 . 5.50 102 95 A 60 ALA H A 59 ARG HA 1.0 . 2.55 103 96 A 40 ILE HD1% A 42 ASN H 1.0 . 5.32 104 97 A 42 ASN H A 41 LEU HBx 1.0 . 4.59 105 97 A 42 ASN H A 41 LEU HBy 1.0 . 4.59 106 98 A 42 ASN H A 43 LYS H 1.0 . 5.00 107 99 A 62 VAL H A 62 VAL HGy% 1.0 . 3.47 108 100 A 62 VAL H A 61 ARG HA 1.0 . 2.52 109 101 A 62 VAL H A 61 ARG HBx 1.0 . 4.16 110 102 A 62 VAL H A 62 VAL HGx% 1.0 . 3.47 111 103 A 62 VAL H A 62 VAL HB 1.0 . 3.72 112 104 A 62 VAL H A 61 ARG HGy 1.0 . 4.85 113 105 A 48 ASN H A 48 ASN HD2x 1.0 . 4.03 114 106 A 48 ASN HBx A 48 ASN HD2x 1.0 . 3.13 115 107 A 48 ASN HD2x A 51 HIS HBx 1.0 . 5.33 116 108 A 46 GLU H A 45 CYS HBy 1.0 . 5.17 117 109 A 46 GLU H A 45 CYS H 1.0 . 3.20 118 110 A 38 ILE H1 A 38 ILE HG1x 1.0 . 4.46 119 110 A 38 ILE H1 A 38 ILE HG1y 1.0 . 4.46 120 111 A 38 ILE H1 A 38 ILE HG2% 1.0 . 4.12 121 112 A 59 ARG H A 58 PRO HGy 1.0 . 4.53 122 113 A 59 ARG H A 59 ARG HBx 1.0 . 2.91 123 113 A 59 ARG H A 59 ARG HBy 1.0 . 2.91 124 114 A 61 ARG H A 61 ARG HGx 1.0 . 3.35 125 115 A 45 CYS H A 44 LEU HBx 1.0 . 4.47 126 115 A 45 CYS H A 44 LEU HBy 1.0 . 4.47 127 116 A 45 CYS H A 44 LEU H 1.0 . 4.81 128 117 A 45 CYS H A 44 LEU HG 1.0 . 5.11 129 118 A 45 CYS H A 44 LEU HDy% 1.0 . 5.22 130 119 A 48 ASN HD2x A 52 ASN HBy 1.0 . 4.09 131 120 A 48 ASN HD2x A 52 ASN HBx 1.0 . 4.09 132 121 A 48 ASN HD2x A 63 ASN HA 1.0 . 4.10 133 122 A 51 HIS HBy A 52 ASN H 1.0 . 4.51 134 123 A 52 ASN H A 52 ASN HBx 1.0 . 3.73 135 124 A 52 ASN H A 52 ASN HBy 1.0 . 3.73 136 125 A 52 ASN H A 51 HIS HA 1.0 . 3.14 137 126 A 49 VAL H A 50 PHE H 1.0 . 3.43 138 127 A 50 PHE HD% A 50 PHE H 1.0 . 4.57 139 128 A 49 VAL HB A 50 PHE H 1.0 . 4.22 140 129 A 50 PHE H A 50 PHE HBx 1.0 . 3.76 141 130 A 52 ASN H A 50 PHE H 1.0 . 4.58 142 131 A 50 PHE H A 46 GLU HA 1.0 . 4.70 143 132 A 50 PHE H A 50 PHE HBy 1.0 . 3.76 144 133 A 44 LEU H A 43 LYS H 1.0 . 4.47 145 134 A 43 LYS H A 43 LYS HEx 1.0 . 4.61 146 134 A 43 LYS H A 43 LYS HEy 1.0 . 4.61 147 135 A 59 ARG H A 59 ARG HDx 1.0 . 4.96 148 135 A 59 ARG H A 59 ARG HDy 1.0 . 4.96 149 136 A 61 ARG H A 61 ARG HDx 1.0 . 5.28 150 136 A 61 ARG H A 61 ARG HDy 1.0 . 5.28 151 137 A 61 ARG H A 61 ARG HA 1.0 . 2.64 152 138 A 53 LYS H A 55 PHE HD% 1.0 . 4.93 153 139 A 61 ARG H A 61 ARG HE 1.0 . 5.25 154 140 A 61 ARG H A 60 ALA HB% 1.0 . 3.06 155 141 A 61 ARG H A 61 ARG HBy 1.0 . 3.67 156 142 A 61 ARG H A 61 ARG HGy 1.0 . 2.85 157 143 A 56 GLU H A 56 GLU HGx 1.0 . 3.28 158 143 A 56 GLU HGy A 56 GLU H 1.0 . 3.28 159 144 A 56 GLU HBy A 56 GLU H 1.0 . 2.99 160 145 A 61 ARG H A 56 GLU H 1.0 . 3.71 161 146 A 61 ARG HE A 56 GLU H 1.0 . 3.77 162 147 A 55 PHE HA A 56 GLU H 1.0 . 2.62 163 148 A 61 ARG HA A 56 GLU H 1.0 . 3.93 164 149 A 47 TYR HD% A 51 HIS H 1.0 . 5.01 165 150 A 61 ARG H A 56 GLU HGx 1.0 . 4.73 166 150 A 61 ARG H A 56 GLU HGy 1.0 . 4.73 167 151 A 61 ARG HE A 56 GLU HGx 1.0 . 4.82 168 151 A 61 ARG HE A 56 GLU HGy 1.0 . 4.82 169 152 A 56 GLU HA A 56 GLU HGx 1.0 . 3.60 170 152 A 56 GLU HGy A 56 GLU HA 1.0 . 3.60 171 153 A 54 THR HA A 56 GLU HGx 1.0 . 4.22 172 153 A 54 THR HA A 56 GLU HGy 1.0 . 4.22 173 154 A 56 GLU HBx A 56 GLU HGx 1.0 . 2.44 174 154 A 56 GLU HGy A 56 GLU HBx 1.0 . 2.44 175 155 A 62 VAL HA A 62 VAL HGy% 1.0 . 3.96 176 156 A 54 THR HB A 62 VAL HGy% 1.0 . 3.55 177 157 A 61 ARG HBy A 61 ARG HDx 1.0 . 3.99 178 157 A 61 ARG HBy A 61 ARG HDy 1.0 . 3.99 179 158 A 40 ILE H A 40 ILE HG1x 1.0 . 4.51 180 159 A 61 ARG HA A 61 ARG HDx 1.0 . 3.89 181 159 A 61 ARG HA A 61 ARG HDy 1.0 . 3.89 182 160 A 61 ARG HA A 61 ARG HGy 1.0 . 3.22 183 161 A 54 THR HB A 61 ARG HA 1.0 . 4.83 184 162 A 48 ASN HA A 48 ASN HD2x 1.0 . 3.68 185 163 A 59 ARG HA A 59 ARG HGy 1.0 . 4.03 186 164 A 59 ARG HA A 59 ARG HGx 1.0 . 4.03 187 165 A 39 ALA H A 40 ILE HD1% 1.0 . 3.65 188 166 A 38 ILE H1 A 38 ILE HD1% 1.0 . 4.02 189 167 A 40 ILE HD1% A 38 ILE H1 1.0 . 4.59 190 168 A 38 ILE HD1% A 38 ILE HB 1.0 . 3.41 191 169 A 39 ALA HB% A 40 ILE HD1% 1.0 . 3.47 192 170 A 40 ILE H A 38 ILE HA 1.0 . 4.71 193 171 A 38 ILE HD1% A 38 ILE HA 1.0 . 3.90 194 172 A 39 ALA HB% A 38 ILE HA 1.0 . 5.06 195 173 A 40 ILE H A 40 ILE HG1y 1.0 . 4.51 196 174 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 3.45 197 175 A 46 GLU H A 45 CYS HBx 1.0 . 5.17 198 176 A 51 HIS HBy A 50 PHE HD% 1.0 . 5.20 199 177 A 50 PHE HD% A 49 VAL HGx% 1.0 . 4.09 200 178 A 49 VAL HA A 49 VAL HGx% 1.0 . 3.49 201 179 A 50 PHE H A 49 VAL HGx% 1.0 . 3.99 202 180 A 54 THR HA A 55 PHE HA 1.0 . 4.80 203 181 A 57 LEU HBx A 58 PRO HDy 1.0 . 4.11 204 182 A 53 LYS H A 53 LYS HDx 1.0 . 4.76 205 182 A 53 LYS H A 53 LYS HDy 1.0 . 4.76 206 183 A 53 LYS HGx A 53 LYS HDx 1.0 . 2.76 207 183 A 53 LYS HGx A 53 LYS HDy 1.0 . 2.76 208 184 A 54 THR H A 53 LYS HDx 1.0 . 4.24 209 184 A 54 THR H A 53 LYS HDy 1.0 . 4.24 210 185 A 53 LYS HBx A 53 LYS HDx 1.0 . 2.63 211 185 A 53 LYS HBx A 53 LYS HDy 1.0 . 2.63 212 186 A 52 ASN HA A 53 LYS HDx 1.0 . 5.02 213 186 A 53 LYS HDy A 52 ASN HA 1.0 . 5.02 214 187 A 40 ILE HA A 44 LEU HDy% 1.0 . 5.04 215 188 A 44 LEU HA A 44 LEU HDy% 1.0 . 3.81 216 189 A 55 PHE HBy A 56 GLU H 1.0 . 4.24 217 190 A 53 LYS HA A 55 PHE HBy 1.0 . 5.43 218 191 A 61 ARG HE A 56 GLU HBy 1.0 . 4.73 219 192 A 55 PHE HA A 56 GLU HBy 1.0 . 4.82 220 193 A 61 ARG HBx A 55 PHE HA 1.0 . 4.73 221 194 A 61 ARG HBx A 61 ARG HGy 1.0 . 2.84 222 195 A 53 LYS H A 53 LYS HGx 1.0 . 4.74 223 196 A 44 LEU HDx% A 44 LEU HBx 1.0 . 3.84 224 196 A 44 LEU HBy A 44 LEU HDx% 1.0 . 3.84 225 197 A 44 LEU HBx A 44 LEU HDy% 1.0 . 3.84 226 197 A 44 LEU HBy A 44 LEU HDy% 1.0 . 3.84 227 198 A 53 LYS HA A 53 LYS HDx 1.0 . 4.60 228 198 A 53 LYS HA A 53 LYS HDy 1.0 . 4.60 229 199 A 56 GLU HBx A 56 GLU H 1.0 . 3.99 230 200 A 38 ILE HG2% A 39 ALA HA 1.0 . 3.43 231 201 A 60 ALA HB% A 57 LEU HDy% 1.0 . 3.98 232 202 A 58 PRO HDy A 57 LEU HBy 1.0 . 4.22 233 203 A 62 VAL HA A 54 THR HG2% 1.0 . 5.25 234 204 A 62 VAL HA A 62 VAL HGx% 1.0 . 3.96 235 205 A 54 THR HB A 62 VAL HGx% 1.0 . 3.55 236 206 A 59 ARG HBy A 59 ARG HGx 1.0 . 2.76 237 206 A 59 ARG HBx A 59 ARG HGx 1.0 . 2.76 238 207 A 62 VAL H A 61 ARG HGx 1.0 . 5.50 239 208 A 40 ILE HA A 40 ILE HG1x 1.0 . 3.59 240 209 A 40 ILE HA A 40 ILE HG1y 1.0 . 3.59 241 210 A 40 ILE HA A 43 LYS HBx 1.0 . 4.82 242 210 A 40 ILE HA A 43 LYS HBy 1.0 . 4.82 243 211 A 40 ILE HA A 40 ILE HD1% 1.0 . 3.00 244 212 A 40 ILE HA A 40 ILE HG2% 1.0 . 2.55 245 213 A 61 ARG HBy A 61 ARG HGx 1.0 . 2.62 246 214 A 62 VAL H A 61 ARG HBy 1.0 . 4.72 247 215 A 61 ARG HBy A 60 ALA H 1.0 . 4.72 248 216 A 43 LYS HBx A 43 LYS HEx 1.0 . 3.32 249 216 A 43 LYS HBy A 43 LYS HEx 1.0 . 3.32 250 216 A 43 LYS HEy A 43 LYS HBx 1.0 . 3.32 251 216 A 43 LYS HEy A 43 LYS HBy 1.0 . 3.32 252 217 A 53 LYS HBx A 53 LYS HEx 1.0 . 3.77 253 217 A 53 LYS HEy A 53 LYS HBx 1.0 . 3.77 254 218 A 43 LYS HA A 43 LYS HEx 1.0 . 4.63 255 218 A 43 LYS HA A 43 LYS HEy 1.0 . 4.63 256 219 A 38 ILE HG2% A 38 ILE HG1x 1.0 . 4.01 257 219 A 38 ILE HG1y A 38 ILE HG2% 1.0 . 4.01 258 220 A 43 LYS HA A 43 LYS HBx 1.0 . 2.69 259 220 A 43 LYS HA A 43 LYS HBy 1.0 . 2.69 260 221 A 50 PHE HD% A 49 VAL HGy% 1.0 . 4.09 261 222 A 49 VAL HA A 49 VAL HGy% 1.0 . 3.49 262 223 A 50 PHE H A 49 VAL HGy% 1.0 . 3.99 263 224 A 61 ARG H A 54 THR HG2% 1.0 . 5.01 264 225 A 54 THR HA A 54 THR HG2% 1.0 . 3.32 265 226 A 54 THR H A 54 THR HG2% 1.0 . 4.10 266 227 A 62 VAL H A 54 THR HG2% 1.0 . 3.92 267 228 A 55 PHE HD% A 54 THR HG2% 1.0 . 5.18 268 229 A 55 PHE HA A 54 THR HG2% 1.0 . 4.37 269 230 A 43 LYS HGx A 44 LEU HBx 1.0 . 4.79 270 230 A 43 LYS HGy A 44 LEU HBx 1.0 . 4.79 271 230 A 44 LEU HBy A 43 LYS HGx 1.0 . 4.79 272 230 A 43 LYS HGy A 44 LEU HBy 1.0 . 4.79 273 231 A 43 LYS H A 43 LYS HGx 1.0 . 4.48 274 231 A 43 LYS HGy A 43 LYS H 1.0 . 4.48 275 232 A 58 PRO HGy A 57 LEU HBy 1.0 . 3.79 276 233 A 47 TYR H A 46 GLU HBy 1.0 . 4.93 277 234 A 57 LEU HBx A 57 LEU HDy% 1.0 . 3.49 278 235 A 58 PRO HDy A 57 LEU HDy% 1.0 . 4.49 279 236 A 57 LEU HA A 57 LEU HDy% 1.0 . 4.17 280 237 A 53 LYS HGy A 53 LYS HA 1.0 . 4.23 281 238 A 53 LYS HGy A 53 LYS HEx 1.0 . 4.13 282 238 A 53 LYS HGy A 53 LYS HEy 1.0 . 4.13 283 239 A 53 LYS HGy A 52 ASN HA 1.0 . 5.01 284 240 A 53 LYS HGx A 53 LYS HEx 1.0 . 3.77 285 240 A 53 LYS HEy A 53 LYS HGx 1.0 . 3.77 286 241 A 53 LYS HA A 53 LYS HEx 1.0 . 4.73 287 241 A 53 LYS HEy A 53 LYS HA 1.0 . 4.73 288 242 A 53 LYS HBy A 53 LYS HEx 1.0 . 4.02 289 242 A 53 LYS HEy A 53 LYS HBy 1.0 . 4.02 290 243 A 55 PHE HA A 56 GLU HGx 1.0 . 3.74 291 243 A 55 PHE HA A 56 GLU HGy 1.0 . 3.74 292 244 A 61 ARG HA A 55 PHE HA 1.0 . 3.76 293 245 A 55 PHE HA A 55 PHE HD% 1.0 . 2.96 294 246 A 47 TYR H A 46 GLU HGx 1.0 . 4.65 295 246 A 47 TYR H A 46 GLU HGy 1.0 . 4.65 296 247 A 46 GLU H A 46 GLU HGx 1.0 . 4.47 297 247 A 46 GLU H A 46 GLU HGy 1.0 . 4.47 298 248 A 58 PRO HDy A 57 LEU HA 1.0 . 3.38 299 249 A 57 LEU HA A 58 PRO HDx 1.0 . 3.30 300 250 A 57 LEU HA A 57 LEU HDx% 1.0 . 4.17 301 251 A 57 LEU HBx A 58 PRO HDx 1.0 . 4.69 302 252 A 57 LEU H A 58 PRO HDx 1.0 . 5.01 303 253 A 57 LEU HBy A 58 PRO HDx 1.0 . 4.72 304 254 A 40 ILE HB A 40 ILE HD1% 1.0 . 2.78 305 255 A 40 ILE H A 40 ILE HD1% 1.0 . 3.44 306 256 A 59 ARG HA A 59 ARG HDx 1.0 . 3.96 307 256 A 59 ARG HDy A 59 ARG HA 1.0 . 3.96 308 257 A 59 ARG HBy A 59 ARG HDx 1.0 . 4.02 309 257 A 59 ARG HDy A 59 ARG HBx 1.0 . 4.02 310 257 A 59 ARG HDy A 59 ARG HBy 1.0 . 4.02 311 257 A 59 ARG HBx A 59 ARG HDx 1.0 . 4.02 312 258 A 61 ARG HBx A 61 ARG HDx 1.0 . 4.21 313 258 A 61 ARG HBx A 61 ARG HDy 1.0 . 4.21 314 259 A 48 ASN HBy A 45 CYS HA 1.0 . 4.69 315 260 A 59 ARG HBy A 59 ARG HGy 1.0 . 2.76 316 260 A 59 ARG HGy A 59 ARG HBx 1.0 . 2.76 317 261 A 39 ALA H A 38 ILE HB 1.0 . 4.16 318 262 A 52 ASN H A 47 TYR HA 1.0 . 5.32 319 263 A 47 TYR HE% A 47 TYR HA 1.0 . 4.56 320 264 A 47 TYR HD% A 47 TYR HA 1.0 . 4.16 321 265 A 38 ILE HG2% A 38 ILE HA 1.0 . 3.29 322 266 A 40 ILE HG2% A 41 LEU H 1.0 . 4.04 323 267 A 39 ALA HB% A 38 ILE HG2% 1.0 . 3.55 324 268 A 48 ASN HBx A 45 CYS HA 1.0 . 5.50 325 269 A 50 PHE HD% A 50 PHE HA 1.0 . 3.80 326 270 A 43 LYS HBy A 43 LYS HDx 1.0 . 3.29 327 270 A 43 LYS HBx A 43 LYS HDx 1.0 . 3.29 328 270 A 43 LYS HDy A 43 LYS HBx 1.0 . 3.29 329 270 A 43 LYS HDy A 43 LYS HBy 1.0 . 3.29 330 271 A 43 LYS H A 43 LYS HDx 1.0 . 4.55 331 271 A 43 LYS HDy A 43 LYS H 1.0 . 4.55 332 272 A 43 LYS HA A 43 LYS HDx 1.0 . 4.52 333 272 A 43 LYS HA A 43 LYS HDy 1.0 . 4.52 334 273 A 39 ALA HB% A 39 ALA H 1.0 . 3.56 335 274 A 39 ALA HB% A 38 ILE HB 1.0 . 3.79 336 275 A 62 VAL H A 54 THR HB 1.0 . 3.90 337 276 A 54 THR HB A 55 PHE HD% 1.0 . 4.97 338 277 A 53 LYS HGy A 54 THR HB 1.0 . 4.22 339 278 A 54 THR HB A 55 PHE HA 1.0 . 4.86 340 279 A 57 LEU HBx A 57 LEU HDx% 1.0 . 3.49 341 280 A 60 ALA HB% A 57 LEU HDx% 1.0 . 3.98 342 281 A 58 PRO HDy A 57 LEU HDx% 1.0 . 4.49 343 282 A 49 VAL HB A 46 GLU HA 1.0 . 4.38 344 283 A 52 ASN HA A 53 LYS HEx 1.0 . 2.70 345 283 A 53 LYS HEy A 52 ASN HA 1.0 . 2.70 346 284 A 53 LYS H A 52 ASN HA 1.0 . 2.46 347 285 A 55 PHE H A 55 PHE HBx 1.0 . 3.60 348 286 A 56 GLU H A 55 PHE HBx 1.0 . 3.18 349 287 A 60 ALA HB% A 57 LEU HBy 1.0 . 5.29 350 288 A 57 LEU H A 57 LEU HBy 1.0 . 3.72 351 289 A 64 THR HB A 64 THR HA 1.0 . 3.00 352 290 A 54 THR HA A 55 PHE HBy 1.0 . 4.92 353 291 A 40 ILE HA A 44 LEU HDx% 1.0 . 5.04 354 292 A 44 LEU H A 44 LEU HDx% 1.0 . 3.96 355 293 A 44 LEU HA A 44 LEU HDx% 1.0 . 3.81 356 294 A 45 CYS H A 44 LEU HDx% 1.0 . 5.22 357 295 A 43 LYS HA A 43 LYS HGx 1.0 . 4.06 358 295 A 43 LYS HA A 43 LYS HGy 1.0 . 4.06 359 296 A 43 LYS HA A 46 GLU HBy 1.0 . 4.00 360 297 A 43 LYS HA A 46 GLU HBx 1.0 . 4.00 361 298 A 53 LYS HBy A 55 PHE HD% 1.0 . 4.85 362 299 A 53 LYS HBy A 53 LYS HDx 1.0 . 3.28 363 299 A 53 LYS HBy A 53 LYS HDy 1.0 . 3.28 364 300 A 48 ASN HD2y A 63 ASN HA 1.0 . 4.72 365 301 A 57 LEU HBx A 57 LEU HG 1.0 . 2.91 366 302 A 57 LEU HG A 57 LEU HBy 1.0 . 2.40 367 303 A 40 ILE HG2% A 40 ILE HG1x 1.0 . 3.45 368 304 A 40 ILE H A 40 ILE HG2% 1.0 . 3.74 369 305 A 38 ILE HG2% A 38 ILE HD1% 1.0 . 2.40 370 306 A 39 ALA H A 42 ASN HBy 1.0 . 4.89 371 306 A 39 ALA H A 42 ASN HBx 1.0 . 4.89 372 307 A 39 ALA HB% A 42 ASN HBy 1.0 . 4.21 373 307 A 39 ALA HB% A 42 ASN HBx 1.0 . 4.21 374 308 A 40 ILE H A 40 ILE HG1x 1.0 . 3.92 375 308 A 40 ILE H A 40 ILE HG1y 1.0 . 3.92 376 309 A 40 ILE HA A 40 ILE HG1x 1.0 . 3.00 377 309 A 40 ILE HA A 40 ILE HG1y 1.0 . 3.00 378 310 A 40 ILE HA A 44 LEU HDy% 1.0 . 3.95 379 310 A 40 ILE HA A 44 LEU HDx% 1.0 . 3.95 380 311 A 40 ILE HG2% A 40 ILE HG1x 1.0 . 2.65 381 311 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 2.65 382 312 A 43 LYS HA A 46 GLU HBx 1.0 . 3.43 383 312 A 43 LYS HA A 46 GLU HBy 1.0 . 3.43 384 313 A 44 LEU H A 44 LEU HDy% 1.0 . 3.20 385 313 A 44 LEU H A 44 LEU HDx% 1.0 . 3.20 386 314 A 44 LEU HA A 44 LEU HDy% 1.0 . 3.34 387 314 A 44 LEU HA A 44 LEU HDx% 1.0 . 3.34 388 315 A 45 CYS H A 44 LEU HDy% 1.0 . 4.32 389 315 A 45 CYS H A 44 LEU HDx% 1.0 . 4.32 390 316 A 45 CYS HA A 49 VAL HGy% 1.0 . 4.58 391 316 A 45 CYS HA A 49 VAL HGx% 1.0 . 4.58 392 317 A 46 GLU H A 45 CYS HBx 1.0 . 4.39 393 317 A 46 GLU H A 45 CYS HBy 1.0 . 4.39 394 318 A 45 CYS HBx A 49 VAL HGy% 1.0 . 4.34 395 318 A 45 CYS HBy A 49 VAL HGy% 1.0 . 4.34 396 318 A 49 VAL HGx% A 45 CYS HBx 1.0 . 4.34 397 318 A 49 VAL HGx% A 45 CYS HBy 1.0 . 4.34 398 319 A 46 GLU H A 46 GLU HBx 1.0 . 3.60 399 319 A 46 GLU H A 46 GLU HBy 1.0 . 3.60 400 320 A 46 GLU HA A 49 VAL HGy% 1.0 . 4.03 401 320 A 46 GLU HA A 49 VAL HGx% 1.0 . 4.03 402 321 A 47 TYR H A 46 GLU HBx 1.0 . 4.28 403 321 A 47 TYR H A 46 GLU HBy 1.0 . 4.28 404 322 A 47 TYR HA A 50 PHE HBx 1.0 . 4.46 405 322 A 47 TYR HA A 50 PHE HBy 1.0 . 4.46 406 323 A 48 ASN HBy A 49 VAL HGy% 1.0 . 5.44 407 323 A 48 ASN HBy A 49 VAL HGx% 1.0 . 5.44 408 324 A 48 ASN HD2x A 52 ASN HBx 1.0 . 3.21 409 324 A 48 ASN HD2x A 52 ASN HBy 1.0 . 3.21 410 325 A 48 ASN HD2x A 63 ASN HBy 1.0 . 4.45 411 325 A 48 ASN HD2x A 63 ASN HBx 1.0 . 4.45 412 326 A 48 ASN HD2y A 52 ASN HBx 1.0 . 4.26 413 326 A 48 ASN HD2y A 52 ASN HBy 1.0 . 4.26 414 327 A 48 ASN HD2y A 63 ASN HBy 1.0 . 3.96 415 327 A 48 ASN HD2y A 63 ASN HBx 1.0 . 3.96 416 328 A 49 VAL H A 49 VAL HGy% 1.0 . 3.33 417 328 A 49 VAL H A 49 VAL HGx% 1.0 . 3.33 418 329 A 50 PHE H A 49 VAL HGy% 1.0 . 3.44 419 329 A 50 PHE H A 49 VAL HGx% 1.0 . 3.44 420 330 A 50 PHE HA A 49 VAL HGy% 1.0 . 4.16 421 330 A 50 PHE HA A 49 VAL HGx% 1.0 . 4.16 422 331 A 51 HIS H A 50 PHE HBx 1.0 . 3.33 423 331 A 51 HIS H A 50 PHE HBy 1.0 . 3.33 424 332 A 52 ASN H A 52 ASN HBx 1.0 . 3.16 425 332 A 52 ASN H A 52 ASN HBy 1.0 . 3.16 426 333 A 52 ASN HA A 52 ASN HBx 1.0 . 2.42 427 333 A 52 ASN HA A 52 ASN HBy 1.0 . 2.42 428 334 A 53 LYS H A 52 ASN HBx 1.0 . 3.56 429 334 A 53 LYS H A 52 ASN HBy 1.0 . 3.56 430 335 A 63 ASN HA A 52 ASN HBx 1.0 . 4.47 431 335 A 63 ASN HA A 52 ASN HBy 1.0 . 4.47 432 336 A 64 THR HB A 52 ASN HBx 1.0 . 4.71 433 336 A 64 THR HB A 52 ASN HBy 1.0 . 4.71 434 337 A 54 THR HB A 62 VAL HGy% 1.0 . 3.10 435 337 A 54 THR HB A 62 VAL HGx% 1.0 . 3.10 436 338 A 54 THR HG2% A 62 VAL HGy% 1.0 . 2.91 437 338 A 54 THR HG2% A 62 VAL HGx% 1.0 . 2.91 438 339 A 57 LEU H A 57 LEU HDy% 1.0 . 3.22 439 339 A 57 LEU H A 57 LEU HDx% 1.0 . 3.22 440 340 A 57 LEU HA A 57 LEU HDy% 1.0 . 3.36 441 340 A 57 LEU HA A 57 LEU HDx% 1.0 . 3.36 442 341 A 57 LEU HBx A 57 LEU HDy% 1.0 . 2.84 443 341 A 57 LEU HBx A 57 LEU HDx% 1.0 . 2.84 444 342 A 57 LEU HDx% A 58 PRO HBy 1.0 . 4.85 445 342 A 58 PRO HBx A 57 LEU HDy% 1.0 . 4.85 446 342 A 57 LEU HDx% A 58 PRO HBx 1.0 . 4.85 447 342 A 57 LEU HDy% A 58 PRO HBy 1.0 . 4.85 448 343 A 58 PRO HGy A 57 LEU HDy% 1.0 . 4.86 449 343 A 58 PRO HGy A 57 LEU HDx% 1.0 . 4.86 450 344 A 58 PRO HDy A 57 LEU HDy% 1.0 . 3.67 451 344 A 58 PRO HDy A 57 LEU HDx% 1.0 . 3.67 452 345 A 58 PRO HDx A 57 LEU HDy% 1.0 . 4.75 453 345 A 58 PRO HDx A 57 LEU HDx% 1.0 . 4.75 454 346 A 59 ARG H A 57 LEU HDy% 1.0 . 4.51 455 346 A 59 ARG H A 57 LEU HDx% 1.0 . 4.51 456 347 A 59 ARG HA A 57 LEU HDy% 1.0 . 4.31 457 347 A 59 ARG HA A 57 LEU HDx% 1.0 . 4.31 458 348 A 60 ALA HA A 57 LEU HDy% 1.0 . 4.38 459 348 A 57 LEU HDx% A 60 ALA HA 1.0 . 4.38 460 349 A 60 ALA HB% A 57 LEU HDy% 1.0 . 3.37 461 349 A 60 ALA HB% A 57 LEU HDx% 1.0 . 3.37 462 350 A 59 ARG H A 58 PRO HBy 1.0 . 4.00 463 350 A 59 ARG H A 58 PRO HBx 1.0 . 4.00 464 351 A 59 ARG HA A 59 ARG HGx 1.0 . 3.39 465 351 A 59 ARG HA A 59 ARG HGy 1.0 . 3.39 466 352 A 59 ARG HBy A 59 ARG HGx 1.0 . 2.35 467 352 A 59 ARG HBx A 59 ARG HGx 1.0 . 2.35 468 352 A 59 ARG HGy A 59 ARG HBx 1.0 . 2.35 469 352 A 59 ARG HBy A 59 ARG HGy 1.0 . 2.35 470 353 A 62 VAL H A 62 VAL HGy% 1.0 . 2.94 471 353 A 62 VAL H A 62 VAL HGx% 1.0 . 2.94 472 354 A 62 VAL HA A 62 VAL HGy% 1.0 . 3.04 473 354 A 62 VAL HA A 62 VAL HGx% 1.0 . 3.04 474 355 A 63 ASN H A 62 VAL HGy% 1.0 . 3.40 475 355 A 63 ASN H A 62 VAL HGx% 1.0 . 3.40 476 356 A 63 ASN H A 63 ASN HBy 1.0 . 3.08 477 356 A 63 ASN H A 63 ASN HBx 1.0 . 3.08 478 357 A 64 THR HB A 63 ASN HBy 1.0 . 5.31 479 357 A 64 THR HB A 63 ASN HBx 1.0 . 5.31 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 42 ASN H A 38 ILE O 1.0 . 2.3 2 2 A 43 LYS H A 39 ALA O 1.0 . 2.3 3 3 A 44 LEU H A 40 ILE O 1.0 . 2.3 4 4 A 45 CYS H A 41 LEU O 1.0 . 2.3 5 5 A 46 GLU H A 42 ASN O 1.0 . 2.3 6 6 A 47 TYR H A 43 LYS O 1.0 . 2.3 7 7 A 48 ASN H A 44 LEU O 1.0 . 2.3 8 8 A 49 VAL H A 45 CYS O 1.0 . 2.3 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 38 ILE C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -79.9 -39.9 PHI 2 2 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 ILE N 1.0 -62.4 -22.4 PSI 3 3 A 39 ALA C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -83.4 -43.4 PHI 4 4 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 LEU N 1.0 -64.1 -24.1 PSI 5 5 A 40 ILE C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -83.3 -43.3 PHI 6 6 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 ASN N 1.0 -62.3 -22.3 PSI 7 7 A 41 LEU C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -84.1 -44.1 PHI 8 8 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 LYS N 1.0 -60.4 -20.4 PSI 9 9 A 42 ASN C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -84.3 -44.3 PHI 10 10 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 LEU N 1.0 -63.2 -23.2 PSI 11 11 A 43 LYS C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -98.7 -31.7 PHI 12 12 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 CYS N 1.0 -70.5 -2.3 PSI 13 13 A 44 LEU C A 45 CYS N A 45 CYS CA A 45 CYS C 1.0 -83.5 -43.5 PHI 14 14 A 45 CYS N A 45 CYS CA A 45 CYS C A 46 GLU N 1.0 -61.0 -21.0 PSI 15 15 A 45 CYS C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -97.9 -39.3 PHI 16 16 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 TYR N 1.0 -51.3 -11.3 PSI 17 17 A 46 GLU C A 47 TYR N A 47 TYR CA A 47 TYR C 1.0 -116.4 -65.6 PHI 18 18 A 47 TYR N A 47 TYR CA A 47 TYR C A 48 ASN N 1.0 -29.8 29.4 PSI 19 19 A 48 ASN C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -140.8 -36.1 PHI 20 20 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 PHE N 1.0 -75.5 11.8 PSI 21 21 A 49 VAL C A 50 PHE N A 50 PHE CA A 50 PHE C 1.0 -130.5 -56.9 PHI 22 22 A 50 PHE N A 50 PHE CA A 50 PHE C A 51 HIS N 1.0 -49.2 35.5 PSI 23 23 A 52 ASN C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -165.7 -60.2 PHI 24 24 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 THR N 1.0 62.7 201.1 PSI 25 25 A 54 THR C A 55 PHE N A 55 PHE CA A 55 PHE C 1.0 -166.5 -80.8 PHI 26 26 A 55 PHE N A 55 PHE CA A 55 PHE C A 56 GLU N 1.0 80.7 176.0 PSI 27 27 A 55 PHE C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -161.1 -70.6 PHI 28 28 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 LEU N 1.0 81.1 169.9 PSI 29 29 A 56 GLU C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -119.3 -35.0 PHI 30 30 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 PRO N 1.0 104.1 157.0 PSI 31 31 A 58 PRO C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -149.7 -62.7 PHI 32 32 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 ALA N 1.0 71.5 180.8 PSI 33 33 A 61 ARG C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -165.2 -56.9 PHI 34 34 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 ASN N 1.0 101.9 163.5 PSI stop_ save_