data_nef_c18769_2lzq 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 18768 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 ARG start . . 2 A 2 SER middle . . 3 A 3 ALA middle . . 4 A 4 LEU middle . . 5 A 5 VAL middle . . 6 A 6 ASN middle . . 7 A 7 SER middle . . 8 A 8 TYR middle . . 9 A 9 LEU middle . . 10 A 10 TRP middle . . 11 A 11 GLN middle . . 12 A 12 ARG middle . . 13 A 13 TRP middle . . 14 A 14 GLU middle . . 15 A 15 ASN middle . . 16 A 16 TRP middle . . 17 A 17 PHE middle . . 18 A 18 TRP middle . . 19 A 19 ASN middle . . 20 A 20 VAL middle . . 21 A 21 THR middle . . 22 A 22 LEU middle . . 23 A 23 ARG middle . . 24 A 24 PRO middle . false 25 A 25 GLU middle . . 26 A 26 ARG 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 ARG HA H 1 4.111 0.01 A 1 ARG HB2 H 1 2.005 0.01 A 1 ARG HB3 H 1 2.005 0.01 A 1 ARG HD2 H 1 3.259 0.01 A 1 ARG HD3 H 1 3.259 0.01 A 1 ARG HG2 H 1 1.756 0.01 A 1 ARG HG3 H 1 1.756 0.01 A 1 ARG CA C 13 56.340 0.01 A 1 ARG CB C 13 31.658 0.01 A 1 ARG CD C 13 43.914 0.01 A 1 ARG CG C 13 27.137 0.01 A 2 SER H H 1 8.606 0.01 A 2 SER HA H 1 4.611 0.01 A 2 SER HBy H 1 4.078 0.01 A 2 SER HBx H 1 3.897 0.01 A 2 SER CA C 13 58.466 0.01 A 2 SER CB C 13 65.003 0.01 A 3 ALA H H 1 8.654 0.01 A 3 ALA HA H 1 4.354 0.01 A 3 ALA HB% H 1 1.506 0.01 A 3 ALA CA C 13 54.477 0.01 A 3 ALA CB C 13 19.356 0.01 A 4 LEU H H 1 7.954 0.01 A 4 LEU HA H 1 4.270 0.01 A 4 LEU HB2 H 1 1.666 0.01 A 4 LEU HB3 H 1 1.666 0.01 A 4 LEU HDx% H 1 0.986 0.01 A 4 LEU HDy% H 1 0.933 0.01 A 4 LEU HG H 1 1.657 0.01 A 4 LEU CA C 13 57.815 0.01 A 4 LEU CB C 13 43.003 0.01 A 4 LEU CDy C 13 24.686 0.01 A 4 LEU CDx C 13 24.245 0.01 A 4 LEU CG C 13 27.927 0.01 A 5 VAL H H 1 7.494 0.01 A 5 VAL HA H 1 3.879 0.01 A 5 VAL HB H 1 2.115 0.01 A 5 VAL HGx% H 1 1.032 0.01 A 5 VAL HGy% H 1 0.997 0.01 A 5 VAL CA C 13 65.477 0.01 A 5 VAL CB C 13 33.015 0.01 A 5 VAL CGy C 13 21.893 0.01 A 5 VAL CGx C 13 21.387 0.01 A 6 ASN H H 1 7.994 0.01 A 6 ASN HA H 1 4.634 0.01 A 6 ASN HB2 H 1 2.897 0.01 A 6 ASN HB3 H 1 2.897 0.01 A 6 ASN HD2y H 1 7.443 0.01 A 6 ASN HD2x H 1 6.642 0.01 A 6 ASN CA C 13 56.086 0.01 A 6 ASN CB C 13 39.008 0.01 A 7 SER H H 1 8.222 0.01 A 7 SER HA H 1 4.429 0.01 A 7 SER HBy H 1 4.145 0.01 A 7 SER HBx H 1 4.082 0.01 A 7 SER CA C 13 62.214 0.01 A 7 SER CB C 13 64.026 0.01 A 8 TYR H H 1 8.191 0.01 A 8 TYR HA H 1 4.430 0.01 A 8 TYR HB2 H 1 3.251 0.01 A 8 TYR HB3 H 1 3.251 0.01 A 8 TYR HD1 H 1 7.179 0.01 A 8 TYR HD2 H 1 7.179 0.01 A 8 TYR HE1 H 1 6.873 0.01 A 8 TYR HE2 H 1 6.873 0.01 A 8 TYR CA C 13 61.958 0.01 A 8 TYR CB C 13 38.940 0.01 A 8 TYR CD1 C 13 133.788 0.01 A 8 TYR CD2 C 13 133.788 0.01 A 8 TYR CE1 C 13 118.731 0.01 A 8 TYR CE2 C 13 118.731 0.01 A 9 LEU H H 1 8.306 0.01 A 9 LEU HA H 1 4.058 0.01 A 9 LEU HBy H 1 1.953 0.01 A 9 LEU HBx H 1 1.608 0.01 A 9 LEU HDx% H 1 1.021 0.01 A 9 LEU HDy% H 1 0.987 0.01 A 9 LEU HG H 1 1.943 0.01 A 9 LEU CA C 13 58.791 0.01 A 9 LEU CB C 13 42.528 0.01 A 9 LEU CDy C 13 25.457 0.01 A 9 LEU CDx C 13 23.238 0.01 A 9 LEU CG C 13 27.786 0.01 A 10 TRP H H 1 8.281 0.01 A 10 TRP HA H 1 4.610 0.01 A 10 TRP HB2 H 1 3.487 0.01 A 10 TRP HB3 H 1 3.487 0.01 A 10 TRP HD1 H 1 7.234 0.01 A 10 TRP HE1 H 1 9.585 0.01 A 10 TRP HE3 H 1 7.616 0.01 A 10 TRP HH2 H 1 7.148 0.01 A 10 TRP HZ2 H 1 7.465 0.01 A 10 TRP HZ3 H 1 6.956 0.01 A 10 TRP CA C 13 61.451 0.01 A 10 TRP CB C 13 30.043 0.01 A 10 TRP CD1 C 13 127.156 0.01 A 10 TRP CE3 C 13 121.269 0.01 A 10 TRP CH2 C 13 125.059 0.01 A 10 TRP CZ2 C 13 115.010 0.01 A 10 TRP CZ3 C 13 122.547 0.01 A 11 GLN H H 1 8.275 0.01 A 11 GLN HA H 1 3.999 0.01 A 11 GLN HBy H 1 2.327 0.01 A 11 GLN HBx H 1 2.242 0.01 A 11 GLN HE2y H 1 7.203 0.01 A 11 GLN HE2x H 1 6.630 0.01 A 11 GLN HGy H 1 2.689 0.01 A 11 GLN HGx H 1 2.468 0.01 A 11 GLN CA C 13 60.083 0.01 A 11 GLN CB C 13 29.430 0.01 A 11 GLN CG C 13 35.234 0.01 A 12 ARG H H 1 8.158 0.01 A 12 ARG HA H 1 4.072 0.01 A 12 ARG HB2 H 1 1.930 0.01 A 12 ARG HB3 H 1 1.930 0.01 A 12 ARG HDy H 1 3.119 0.01 A 12 ARG HDx H 1 3.069 0.01 A 12 ARG HE H 1 7.136 0.01 A 12 ARG HGy H 1 1.638 0.01 A 12 ARG HGx H 1 1.535 0.01 A 12 ARG CA C 13 59.855 0.01 A 12 ARG CB C 13 30.288 0.01 A 12 ARG CD C 13 43.684 0.01 A 12 ARG CG C 13 27.652 0.01 A 13 TRP H H 1 8.425 0.01 A 13 TRP HA H 1 4.413 0.01 A 13 TRP HBy H 1 3.437 0.01 A 13 TRP HBx H 1 3.321 0.01 A 13 TRP HD1 H 1 6.901 0.01 A 13 TRP HE1 H 1 9.277 0.01 A 13 TRP HE3 H 1 7.259 0.01 A 13 TRP HH2 H 1 6.890 0.01 A 13 TRP HZ2 H 1 7.270 0.01 A 13 TRP HZ3 H 1 6.798 0.01 A 13 TRP CA C 13 62.193 0.01 A 13 TRP CB C 13 29.421 0.01 A 13 TRP CD1 C 13 126.814 0.01 A 13 TRP CE3 C 13 121.328 0.01 A 13 TRP CH2 C 13 124.941 0.01 A 13 TRP CZ2 C 13 114.414 0.01 A 13 TRP CZ3 C 13 122.280 0.01 A 14 GLU H H 1 8.774 0.01 A 14 GLU HA H 1 3.698 0.01 A 14 GLU HB2 H 1 1.900 0.01 A 14 GLU HB3 H 1 1.900 0.01 A 14 GLU HG2 H 1 2.140 0.01 A 14 GLU HG3 H 1 2.140 0.01 A 14 GLU CA C 13 59.978 0.01 A 14 GLU CB C 13 28.680 0.01 A 14 GLU CG C 13 33.474 0.01 A 15 ASN H H 1 8.059 0.01 A 15 ASN HA H 1 4.495 0.01 A 15 ASN HBy H 1 2.964 0.01 A 15 ASN HBx H 1 2.830 0.01 A 15 ASN HD2y H 1 7.585 0.01 A 15 ASN HD2x H 1 6.836 0.01 A 15 ASN CA C 13 57.566 0.01 A 15 ASN CB C 13 40.028 0.01 A 16 TRP H H 1 8.071 0.01 A 16 TRP HA H 1 4.238 0.01 A 16 TRP HBy H 1 3.497 0.01 A 16 TRP HBx H 1 3.292 0.01 A 16 TRP HD1 H 1 7.055 0.01 A 16 TRP HE1 H 1 9.522 0.01 A 16 TRP HE3 H 1 7.242 0.01 A 16 TRP HH2 H 1 7.221 0.01 A 16 TRP HZ2 H 1 7.413 0.01 A 16 TRP HZ3 H 1 7.081 0.01 A 16 TRP CA C 13 62.245 0.01 A 16 TRP CB C 13 29.191 0.01 A 16 TRP CD1 C 13 126.903 0.01 A 16 TRP CE3 C 13 121.298 0.01 A 16 TRP CH2 C 13 125.059 0.01 A 16 TRP CZ2 C 13 114.802 0.01 A 16 TRP CZ3 C 13 122.294 0.01 A 17 PHE H H 1 8.768 0.01 A 17 PHE HA H 1 3.446 0.01 A 17 PHE HBy H 1 2.532 0.01 A 17 PHE HBx H 1 2.210 0.01 A 17 PHE HD1 H 1 6.615 0.01 A 17 PHE HD2 H 1 6.615 0.01 A 17 PHE HE1 H 1 6.963 0.01 A 17 PHE HE2 H 1 6.963 0.01 A 17 PHE HZ H 1 7.124 0.01 A 17 PHE CA C 13 62.026 0.01 A 17 PHE CB C 13 39.605 0.01 A 17 PHE CD1 C 13 132.134 0.01 A 17 PHE CD2 C 13 132.134 0.01 A 17 PHE CE1 C 13 131.584 0.01 A 17 PHE CE2 C 13 131.584 0.01 A 17 PHE CZ C 13 130.128 0.01 A 18 TRP H H 1 8.456 0.01 A 18 TRP HA H 1 4.223 0.01 A 18 TRP HB2 H 1 3.322 0.01 A 18 TRP HB3 H 1 3.322 0.01 A 18 TRP HD1 H 1 7.293 0.01 A 18 TRP HE1 H 1 9.627 0.01 A 18 TRP HE3 H 1 7.573 0.01 A 18 TRP HH2 H 1 7.256 0.01 A 18 TRP HZ2 H 1 7.497 0.01 A 18 TRP HZ3 H 1 7.124 0.01 A 18 TRP CA C 13 60.815 0.01 A 18 TRP CB C 13 29.900 0.01 A 18 TRP CD1 C 13 127.691 0.01 A 18 TRP CE3 C 13 121.269 0.01 A 18 TRP CH2 C 13 125.119 0.01 A 18 TRP CZ2 C 13 114.981 0.01 A 18 TRP CZ3 C 13 122.384 0.01 A 19 ASN H H 1 7.768 0.01 A 19 ASN HA H 1 4.331 0.01 A 19 ASN HBy H 1 2.911 0.01 A 19 ASN HBx H 1 2.563 0.01 A 19 ASN HD2y H 1 7.491 0.01 A 19 ASN HD2x H 1 6.768 0.01 A 19 ASN CA C 13 57.260 0.01 A 19 ASN CB C 13 40.029 0.01 A 20 VAL H H 1 7.983 0.01 A 20 VAL HA H 1 3.728 0.01 A 20 VAL HB H 1 1.602 0.01 A 20 VAL HGx% H 1 0.526 0.01 A 20 VAL HGy% H 1 0.335 0.01 A 20 VAL CA C 13 65.593 0.01 A 20 VAL CB C 13 32.363 0.01 A 20 VAL CGy C 13 21.121 0.01 A 20 VAL CGx C 13 20.886 0.01 A 21 THR H H 1 7.523 0.01 A 21 THR HA H 1 3.886 0.01 A 21 THR HB H 1 3.851 0.01 A 21 THR HG2% H 1 0.923 0.01 A 21 THR CA C 13 65.003 0.01 A 21 THR CB C 13 69.837 0.01 A 21 THR CG2 C 13 21.653 0.01 A 22 LEU H H 1 7.598 0.01 A 22 LEU HA H 1 4.311 0.01 A 22 LEU HBy H 1 1.660 0.01 A 22 LEU HBx H 1 1.501 0.01 A 22 LEU HDx% H 1 0.792 0.01 A 22 LEU HDy% H 1 0.794 0.01 A 22 LEU HG H 1 1.603 0.01 A 22 LEU CA C 13 56.094 0.01 A 22 LEU CB C 13 42.641 0.01 A 22 LEU CDy C 13 25.441 0.01 A 22 LEU CDx C 13 23.112 0.01 A 22 LEU CG C 13 27.644 0.01 A 23 ARG H H 1 7.480 0.01 A 23 ARG HA H 1 4.370 0.01 A 23 ARG HBy H 1 1.791 0.01 A 23 ARG HBx H 1 1.753 0.01 A 23 ARG HD2 H 1 3.166 0.01 A 23 ARG HD3 H 1 3.166 0.01 A 23 ARG HE H 1 7.125 0.01 A 23 ARG HG2 H 1 1.624 0.01 A 23 ARG HG3 H 1 1.624 0.01 A 23 ARG CA C 13 56.977 0.01 A 23 ARG CB C 13 30.139 0.01 A 23 ARG CD C 13 44.010 0.01 A 23 ARG CG C 13 27.676 0.01 A 24 PRO HA H 1 4.391 0.01 A 24 PRO HBy H 1 2.299 0.01 A 24 PRO HBx H 1 1.893 0.01 A 24 PRO HDy H 1 3.673 0.01 A 24 PRO HDx H 1 3.601 0.01 A 24 PRO HGy H 1 2.035 0.01 A 24 PRO HGx H 1 1.976 0.01 A 24 PRO CA C 13 65.036 0.01 A 24 PRO CB C 13 32.233 0.01 A 24 PRO CD C 13 51.255 0.01 A 24 PRO CG C 13 28.203 0.01 A 25 GLU H H 1 8.002 0.01 A 25 GLU HA H 1 4.352 0.01 A 25 GLU HBy H 1 2.182 0.01 A 25 GLU HBx H 1 2.068 0.01 A 25 GLU HG2 H 1 2.530 0.01 A 25 GLU HG3 H 1 2.530 0.01 A 25 GLU CA C 13 57.150 0.01 A 25 GLU CB C 13 29.234 0.01 A 25 GLU CG C 13 33.451 0.01 A 26 ARG H H 1 8.014 0.01 A 26 ARG HA H 1 4.334 0.01 A 26 ARG HBy H 1 1.930 0.01 A 26 ARG HBx H 1 1.801 0.01 A 26 ARG HD2 H 1 3.182 0.01 A 26 ARG HD3 H 1 3.182 0.01 A 26 ARG HG2 H 1 1.675 0.01 A 26 ARG HG3 H 1 1.675 0.01 A 26 ARG CA C 13 56.584 0.01 A 26 ARG CB C 13 31.751 0.01 A 26 ARG CD C 13 44.010 0.01 A 26 ARG CG C 13 27.880 0.01 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 1 ARG HA A 2 SER H 1.0 1.8 3.1 2 2 A 2 SER H A 1 ARG HB2 1.0 1.8 6.5 3 2 A 2 SER H A 1 ARG HB3 1.0 1.8 6.5 4 3 A 2 SER H A 1 ARG HG2 1.0 1.8 6.5 5 3 A 2 SER H A 1 ARG HG3 1.0 1.8 6.5 6 4 A 2 SER HA A 3 ALA H 1.0 1.8 3.1 7 5 A 3 ALA H A 2 SER HBx 1.0 1.8 5.5 8 6 A 3 ALA H A 2 SER HBy 1.0 1.8 4.3 9 7 A 3 ALA H A 4 LEU H 1.0 1.8 3.1 10 8 A 4 LEU H A 3 ALA HA 1.0 1.8 4.3 11 9 A 4 LEU H A 3 ALA HB% 1.0 1.8 5.3 12 10 A 2 SER HBx A 4 LEU H 1.0 1.8 5.5 13 11 A 2 SER HBy A 4 LEU H 1.0 1.8 5.5 14 12 A 4 LEU H A 5 VAL H 1.0 1.8 3.1 15 13 A 5 VAL H A 4 LEU HA 1.0 1.8 3.1 16 14 A 5 VAL H A 4 LEU HB2 1.0 1.8 6.5 17 14 A 5 VAL H A 4 LEU HB3 1.0 1.8 6.5 18 15 A 2 SER HBx A 5 VAL H 1.0 1.8 3.1 19 16 A 5 VAL H A 6 ASN H 1.0 1.8 3.1 20 17 A 6 ASN H A 5 VAL HA 1.0 1.8 4.3 21 18 A 6 ASN H A 5 VAL HB 1.0 1.8 3.1 22 19 A 6 ASN H A 5 VAL HGy% 1.0 1.8 6.5 23 20 A 6 ASN H A 5 VAL HGx% 1.0 1.8 6.5 24 21 A 4 LEU HA A 6 ASN H 1.0 1.8 5.5 25 22 A 3 ALA HA A 6 ASN HB2 1.0 1.8 5.3 26 22 A 3 ALA HA A 6 ASN HB3 1.0 1.8 5.3 27 23 A 6 ASN H A 7 SER H 1.0 1.8 3.1 28 24 A 7 SER H A 6 ASN HA 1.0 1.8 5.5 29 25 A 7 SER H A 6 ASN HB2 1.0 1.8 4.1 30 25 A 6 ASN HB3 A 7 SER H 1.0 1.8 4.1 31 26 A 5 VAL HA A 7 SER H 1.0 1.8 5.5 32 27 A 4 LEU HA A 7 SER H 1.0 1.8 5.5 33 28 A 4 LEU HA A 7 SER HBx 1.0 1.8 4.3 34 29 A 4 LEU HA A 7 SER HBy 1.0 1.8 4.3 35 30 A 3 ALA HA A 7 SER H 1.0 1.8 5.5 36 31 A 7 SER HBx A 8 TYR H 1.0 1.8 5.5 37 32 A 7 SER HBy A 8 TYR H 1.0 1.8 4.3 38 33 A 6 ASN H A 8 TYR H 1.0 1.8 5.5 39 34 A 5 VAL HA A 8 TYR H 1.0 1.8 5.5 40 35 A 5 VAL HA A 8 TYR HB2 1.0 1.8 5.3 41 35 A 5 VAL HA A 8 TYR HB3 1.0 1.8 5.3 42 36 A 8 TYR H A 9 LEU H 1.0 1.8 3.1 43 37 A 9 LEU H A 8 TYR HA 1.0 1.8 4.3 44 38 A 9 LEU H A 8 TYR HB2 1.0 1.8 4.1 45 38 A 8 TYR HB3 A 9 LEU H 1.0 1.8 4.1 46 39 A 6 ASN HA A 9 LEU HBx 1.0 1.8 3.1 47 40 A 6 ASN HA A 9 LEU HBy 1.0 1.8 5.5 48 41 A 9 LEU H A 8 TYR HD% 1.0 1.8 6.3 49 42 A 8 TYR HD% A 9 LEU HA 1.0 1.8 7.5 50 43 A 8 TYR HD% A 9 LEU HG 1.0 1.8 6.3 51 44 A 8 TYR HD% A 9 LEU HDy% 1.0 1.8 6.1 52 45 A 8 TYR HD% A 9 LEU HDx% 1.0 1.8 8.5 53 46 A 9 LEU HA A 8 TYR HE% 1.0 1.8 7.5 54 47 A 9 LEU HDy% A 8 TYR HE% 1.0 1.8 7.3 55 48 A 9 LEU HA A 10 TRP H 1.0 1.8 4.3 56 49 A 9 LEU HBx A 10 TRP H 1.0 1.8 4.3 57 50 A 9 LEU HBy A 10 TRP H 1.0 1.8 3.1 58 51 A 10 TRP H A 7 SER HA 1.0 1.8 4.3 59 52 A 7 SER HA A 10 TRP HB2 1.0 1.8 4.1 60 52 A 7 SER HA A 10 TRP HB3 1.0 1.8 4.1 61 53 A 8 TYR HD% A 10 TRP H 1.0 1.8 7.5 62 54 A 10 TRP HA A 11 GLN H 1.0 1.8 5.5 63 55 A 11 GLN H A 10 TRP HB2 1.0 1.8 4.1 64 55 A 10 TRP HB3 A 11 GLN H 1.0 1.8 4.1 65 56 A 9 LEU HA A 11 GLN H 1.0 1.8 5.5 66 57 A 8 TYR HA A 11 GLN H 1.0 1.8 4.3 67 58 A 8 TYR HA A 11 GLN HBx 1.0 1.8 5.5 68 59 A 8 TYR HA A 11 GLN HBy 1.0 1.8 4.3 69 60 A 10 TRP HD1 A 11 GLN HA 1.0 1.8 5.5 70 61 A 11 GLN HA A 10 TRP HE3 1.0 1.8 5.5 71 62 A 11 GLN H A 12 ARG H 1.0 1.8 3.1 72 63 A 11 GLN HA A 12 ARG H 1.0 1.8 4.3 73 64 A 11 GLN HBx A 12 ARG H 1.0 1.8 4.3 74 65 A 11 GLN HBy A 12 ARG H 1.0 1.8 5.5 75 66 A 9 LEU HA A 12 ARG HB2 1.0 1.8 5.3 76 66 A 9 LEU HA A 12 ARG HB3 1.0 1.8 5.3 77 67 A 8 TYR HA A 12 ARG H 1.0 1.8 5.5 78 68 A 8 TYR HE% A 12 ARG HB2 1.0 1.8 8.5 79 68 A 8 TYR HE% A 12 ARG HB3 1.0 1.8 8.5 80 69 A 8 TYR HE% A 12 ARG HDx 1.0 1.8 7.5 81 70 A 8 TYR HE% A 12 ARG HDy 1.0 1.8 7.5 82 71 A 8 TYR HE% A 12 ARG HGx 1.0 1.8 7.5 83 72 A 12 ARG H A 13 TRP H 1.0 1.8 3.1 84 73 A 13 TRP H A 12 ARG HA 1.0 1.8 4.3 85 74 A 13 TRP H A 12 ARG HB2 1.0 1.8 4.1 86 74 A 12 ARG HB3 A 13 TRP H 1.0 1.8 4.1 87 75 A 11 GLN H A 13 TRP H 1.0 1.8 5.5 88 76 A 10 TRP HA A 13 TRP HBx 1.0 1.8 5.5 89 77 A 10 TRP HA A 13 TRP HBy 1.0 1.8 4.3 90 78 A 13 TRP HD1 A 12 ARG HB2 1.0 1.8 6.5 91 78 A 12 ARG HB3 A 13 TRP HD1 1.0 1.8 6.5 92 79 A 13 TRP H A 14 GLU H 1.0 1.8 3.1 93 80 A 14 GLU H A 13 TRP HA 1.0 1.8 5.5 94 81 A 13 TRP HBx A 14 GLU H 1.0 1.8 3.1 95 82 A 13 TRP HBy A 14 GLU H 1.0 1.8 4.3 96 83 A 12 ARG H A 14 GLU H 1.0 1.8 5.5 97 84 A 11 GLN HA A 14 GLU H 1.0 1.8 5.5 98 85 A 11 GLN HA A 14 GLU HB2 1.0 1.8 4.1 99 85 A 11 GLN HA A 14 GLU HB3 1.0 1.8 4.1 100 86 A 13 TRP HD1 A 14 GLU HG2 1.0 1.8 5.3 101 86 A 13 TRP HD1 A 14 GLU HG3 1.0 1.8 5.3 102 87 A 13 TRP HE3 A 14 GLU HB2 1.0 1.8 6.5 103 87 A 14 GLU HB3 A 13 TRP HE3 1.0 1.8 6.5 104 88 A 13 TRP HE3 A 14 GLU HG2 1.0 1.8 5.3 105 88 A 14 GLU HG3 A 13 TRP HE3 1.0 1.8 5.3 106 89 A 10 TRP HE1 A 14 GLU HG2 1.0 1.8 5.3 107 89 A 14 GLU HG3 A 10 TRP HE1 1.0 1.8 5.3 108 90 A 14 GLU H A 15 ASN H 1.0 1.8 3.1 109 91 A 15 ASN H A 14 GLU HA 1.0 1.8 5.5 110 92 A 15 ASN H A 14 GLU HB2 1.0 1.8 4.1 111 92 A 14 GLU HB3 A 15 ASN H 1.0 1.8 4.1 112 93 A 15 ASN H A 14 GLU HG2 1.0 1.8 5.5 113 93 A 14 GLU HG3 A 15 ASN H 1.0 1.8 5.5 114 94 A 13 TRP H A 15 ASN H 1.0 1.8 5.5 115 95 A 13 TRP HA A 15 ASN H 1.0 1.8 5.5 116 96 A 12 ARG HA A 15 ASN H 1.0 1.8 4.3 117 97 A 12 ARG HA A 15 ASN HBx 1.0 1.8 4.3 118 98 A 12 ARG HA A 15 ASN HBy 1.0 1.8 5.5 119 99 A 11 GLN HA A 15 ASN H 1.0 1.8 5.5 120 100 A 15 ASN HA A 16 TRP H 1.0 1.8 4.3 121 101 A 15 ASN HBx A 16 TRP H 1.0 1.8 4.3 122 102 A 15 ASN HBy A 16 TRP H 1.0 1.8 4.3 123 103 A 14 GLU HA A 16 TRP H 1.0 1.8 5.5 124 104 A 13 TRP HA A 16 TRP H 1.0 1.8 4.3 125 105 A 13 TRP HA A 16 TRP HBx 1.0 1.8 4.3 126 106 A 12 ARG HA A 16 TRP H 1.0 1.8 5.5 127 107 A 16 TRP HE3 A 14 GLU HG2 1.0 1.8 6.5 128 107 A 14 GLU HG3 A 16 TRP HE3 1.0 1.8 6.5 129 108 A 13 TRP HA A 16 TRP HE3 1.0 1.8 4.3 130 109 A 16 TRP H A 17 PHE H 1.0 1.8 3.1 131 110 A 17 PHE H A 16 TRP HA 1.0 1.8 5.5 132 111 A 16 TRP HBx A 17 PHE H 1.0 1.8 4.3 133 112 A 17 PHE H A 16 TRP HBy 1.0 1.8 4.3 134 113 A 14 GLU HA A 17 PHE H 1.0 1.8 4.3 135 114 A 14 GLU HA A 17 PHE HBx 1.0 1.8 4.3 136 115 A 14 GLU HA A 17 PHE HBy 1.0 1.8 4.3 137 116 A 13 TRP HA A 17 PHE H 1.0 1.8 5.5 138 117 A 17 PHE H A 16 TRP HD1 1.0 1.8 5.5 139 118 A 16 TRP HE3 A 17 PHE H 1.0 1.8 3.1 140 119 A 16 TRP HE3 A 17 PHE HBx 1.0 1.8 5.5 141 120 A 16 TRP HE3 A 17 PHE HBy 1.0 1.8 4.3 142 121 A 14 GLU HA A 17 PHE HD% 1.0 1.8 7.5 143 122 A 13 TRP HE3 A 17 PHE H 1.0 1.8 4.3 144 123 A 17 PHE H A 18 TRP H 1.0 1.8 3.1 145 124 A 18 TRP H A 17 PHE HA 1.0 1.8 5.5 146 125 A 17 PHE HBx A 18 TRP H 1.0 1.8 5.5 147 126 A 17 PHE HBy A 18 TRP H 1.0 1.8 4.3 148 127 A 16 TRP H A 18 TRP H 1.0 1.8 5.5 149 128 A 15 ASN HA A 18 TRP HB2 1.0 1.8 5.3 150 128 A 15 ASN HA A 18 TRP HB3 1.0 1.8 5.3 151 129 A 14 GLU HA A 18 TRP H 1.0 1.8 5.5 152 130 A 17 PHE HD% A 18 TRP H 1.0 1.8 6.3 153 131 A 17 PHE HD% A 18 TRP HA 1.0 1.8 7.5 154 132 A 18 TRP HD1 A 14 GLU HB2 1.0 1.8 4.1 155 132 A 14 GLU HB3 A 18 TRP HD1 1.0 1.8 4.1 156 133 A 18 TRP HD1 A 14 GLU HG2 1.0 1.8 5.3 157 133 A 14 GLU HG3 A 18 TRP HD1 1.0 1.8 5.3 158 134 A 18 TRP H A 19 ASN H 1.0 1.8 3.1 159 135 A 18 TRP HA A 19 ASN H 1.0 1.8 5.5 160 136 A 19 ASN H A 18 TRP HB2 1.0 1.8 5.3 161 136 A 18 TRP HB3 A 19 ASN H 1.0 1.8 5.3 162 137 A 16 TRP HA A 19 ASN HBx 1.0 1.8 5.5 163 138 A 16 TRP HA A 19 ASN HBy 1.0 1.8 5.5 164 139 A 19 ASN H A 15 ASN HD2y 1.0 1.8 4.3 165 140 A 19 ASN H A 20 VAL H 1.0 1.8 3.1 166 141 A 20 VAL H A 19 ASN HA 1.0 1.8 4.3 167 142 A 19 ASN HBx A 20 VAL H 1.0 1.8 4.3 168 143 A 19 ASN HBy A 20 VAL H 1.0 1.8 4.3 169 144 A 17 PHE HA A 20 VAL H 1.0 1.8 5.5 170 145 A 17 PHE HA A 20 VAL HB 1.0 1.8 5.5 171 146 A 17 PHE HA A 20 VAL HGx% 1.0 1.8 6.5 172 147 A 17 PHE HA A 20 VAL HGy% 1.0 1.8 6.5 173 148 A 16 TRP HD1 A 20 VAL HGx% 1.0 1.8 5.3 174 149 A 16 TRP HD1 A 20 VAL HGy% 1.0 1.8 5.3 175 150 A 20 VAL HGx% A 16 TRP HE1 1.0 1.8 4.1 176 151 A 20 VAL HGy% A 16 TRP HE1 1.0 1.8 5.3 177 152 A 20 VAL HGy% A 16 TRP HH2 1.0 1.8 6.5 178 153 A 20 VAL HGx% A 16 TRP HZ2 1.0 1.8 5.3 179 154 A 20 VAL HGy% A 16 TRP HZ2 1.0 1.8 5.3 180 155 A 20 VAL H A 21 THR H 1.0 1.8 3.1 181 156 A 21 THR H A 20 VAL HA 1.0 1.8 4.3 182 157 A 20 VAL HB A 21 THR H 1.0 1.8 4.3 183 158 A 20 VAL HGy% A 21 THR H 1.0 1.8 6.5 184 159 A 20 VAL HGx% A 21 THR H 1.0 1.8 6.5 185 160 A 19 ASN H A 21 THR H 1.0 1.8 5.5 186 161 A 18 TRP HA A 21 THR H 1.0 1.8 5.5 187 162 A 18 TRP HA A 21 THR HB 1.0 1.8 5.5 188 163 A 17 PHE HA A 21 THR H 1.0 1.8 5.5 189 164 A 18 TRP HE3 A 21 THR HG2% 1.0 1.8 6.5 190 165 A 21 THR HG2% A 18 TRP HZ3 1.0 1.8 5.3 191 166 A 17 PHE HD% A 21 THR HG2% 1.0 1.8 8.5 192 167 A 21 THR H A 22 LEU H 1.0 1.8 3.1 193 168 A 22 LEU H A 21 THR HA 1.0 1.8 3.1 194 169 A 21 THR HB A 22 LEU H 1.0 1.8 3.1 195 170 A 21 THR HG2% A 22 LEU H 1.0 1.8 6.5 196 171 A 20 VAL H A 22 LEU H 1.0 1.8 5.5 197 172 A 18 TRP HA A 22 LEU H 1.0 1.8 5.5 198 173 A 18 TRP HD1 A 22 LEU HDx% 1.0 1.8 6.7 199 173 A 18 TRP HD1 A 22 LEU HDy% 1.0 1.8 6.7 200 174 A 18 TRP HE3 A 22 LEU HG 1.0 1.8 3.1 201 175 A 18 TRP HE3 A 22 LEU HDx% 1.0 1.8 5.1 202 175 A 18 TRP HE3 A 22 LEU HDy% 1.0 1.8 5.1 203 176 A 18 TRP HZ3 A 22 LEU HDx% 1.0 1.8 6.7 204 176 A 18 TRP HZ3 A 22 LEU HDy% 1.0 1.8 6.7 205 177 A 17 PHE HE% A 22 LEU HDx% 1.0 1.8 9.9 206 177 A 22 LEU HDy% A 17 PHE HE% 1.0 1.8 9.9 207 178 A 22 LEU H A 23 ARG H 1.0 1.8 3.1 208 179 A 23 ARG H A 22 LEU HA 1.0 1.8 3.1 209 180 A 23 ARG H A 22 LEU HBx 1.0 1.8 4.3 210 181 A 23 ARG H A 22 LEU HBy 1.0 1.8 3.1 211 182 A 20 VAL HA A 23 ARG H 1.0 1.8 5.5 212 183 A 23 ARG H A 22 LEU HDx% 1.0 1.8 7.9 213 183 A 22 LEU HDy% A 23 ARG H 1.0 1.8 7.9 214 184 A 23 ARG H A 24 PRO HDx 1.0 1.8 4.3 215 185 A 23 ARG H A 24 PRO HDy 1.0 1.8 4.3 216 186 A 24 PRO HDx A 23 ARG HA 1.0 1.8 4.3 217 187 A 24 PRO HDy A 23 ARG HA 1.0 1.8 4.3 218 188 A 24 PRO HA A 25 GLU H 1.0 1.8 3.1 219 189 A 25 GLU H A 24 PRO HBx 1.0 1.8 5.5 220 190 A 25 GLU H A 24 PRO HBy 1.0 1.8 5.5 221 191 A 24 PRO HDx A 25 GLU H 1.0 1.8 5.5 222 192 A 24 PRO HDy A 25 GLU H 1.0 1.8 5.5 stop_ save_