data_nef_c16149_2keh 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 16148 BMRB 16239 BMRB 16241 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 ARG middle . . 3 A 3 SER middle . . 4 A 4 ARG middle . . 5 A 5 LYS middle . . 6 A 6 ASN middle . . 7 A 7 GLY middle . false 8 A 8 ILE middle . . 9 A 9 GLY middle . false 10 A 10 TYR middle . . 11 A 11 ALA middle . . 12 A 12 ILE middle . . 13 A 13 GLY middle . false 14 A 14 TYR middle . . 15 A 15 ALA middle . . 16 A 16 PHE middle . . 17 A 17 GLY middle . false 18 A 18 ALA middle . . 19 A 19 VAL middle . . 20 A 20 GLU middle . . 21 A 21 ARG middle . . 22 A 22 ALA middle . . 23 A 23 VAL middle . . 24 A 24 LEU middle . . 25 A 25 GLY middle . false 26 A 26 GLY middle . false 27 A 27 SER middle . . 28 A 28 ARG middle . . 29 A 29 ASP middle . . 30 A 30 TYR middle . . 31 A 31 ASN middle . . 32 A 32 LYS 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 4.121 0.006 A 1 ARG HBx H 1 1.978 0.019 A 1 ARG HBy H 1 1.978 0.019 A 1 ARG HDx H 1 3.267 0.009 A 1 ARG HDy H 1 3.267 0.009 A 1 ARG HE H 1 7.273 0.000 A 1 ARG HGx H 1 1.747 0.005 A 1 ARG HGy H 1 1.747 0.005 A 1 ARG C C 13 172.199 0.035 A 1 ARG CA C 13 55.630 0.000 A 1 ARG CB C 13 30.914 0.030 A 1 ARG CD C 13 43.202 0.000 A 1 ARG CG C 13 26.245 0.005 A 2 ARG H H 1 8.775 0.002 A 2 ARG HA H 1 4.494 0.006 A 2 ARG HBx H 1 1.837 0.002 A 2 ARG HBy H 1 1.916 0.003 A 2 ARG HDx H 1 3.248 0.000 A 2 ARG HDy H 1 3.248 0.000 A 2 ARG HE H 1 7.198 0.000 A 2 ARG HGx H 1 1.734 0.008 A 2 ARG HGy H 1 1.734 0.008 A 2 ARG C C 13 175.506 0.006 A 2 ARG CA C 13 56.406 0.000 A 2 ARG CD C 13 43.493 0.000 A 2 ARG CG C 13 27.161 0.000 A 2 ARG N N 15 123.489 0.000 A 3 SER H H 1 8.406 0.003 A 3 SER HA H 1 4.600 0.004 A 3 SER HBx H 1 3.881 0.004 A 3 SER HBy H 1 3.990 0.006 A 3 SER C C 13 174.478 0.023 A 3 SER CA C 13 57.797 0.000 A 3 SER CB C 13 64.546 0.024 A 3 SER N N 15 117.028 0.000 A 4 ARG H H 1 8.508 0.003 A 4 ARG HA H 1 4.400 0.001 A 4 ARG HBx H 1 1.837 0.003 A 4 ARG HBy H 1 1.935 0.013 A 4 ARG HDx H 1 3.240 0.003 A 4 ARG HDy H 1 3.240 0.003 A 4 ARG HE H 1 7.249 0.000 A 4 ARG HGx H 1 1.701 0.017 A 4 ARG HGy H 1 1.701 0.017 A 4 ARG CA C 13 56.661 0.000 A 4 ARG CB C 13 30.943 0.039 A 4 ARG CD C 13 43.266 0.000 A 4 ARG CG C 13 27.130 0.040 A 4 ARG N N 15 122.829 0.000 A 5 LYS H H 1 8.256 0.006 A 5 LYS HA H 1 4.290 0.002 A 5 LYS HBy H 1 1.840 0.004 A 5 LYS HBx H 1 1.755 0.015 A 5 LYS HDx H 1 1.715 0.000 A 5 LYS HDy H 1 1.715 0.000 A 5 LYS HEx H 1 3.009 0.000 A 5 LYS HEy H 1 3.009 0.000 A 5 LYS HGx H 1 1.438 0.000 A 5 LYS HGy H 1 1.489 0.000 A 5 LYS CA C 13 56.843 0.000 A 5 LYS CB C 13 32.969 0.000 A 5 LYS CD C 13 29.157 0.000 A 5 LYS CE C 13 42.094 0.000 A 5 LYS CG C 13 24.754 0.000 A 5 LYS N N 15 120.908 0.000 A 6 ASN H H 1 8.204 0.041 A 6 ASN HA H 1 4.757 0.003 A 6 ASN HBx H 1 2.855 0.005 A 6 ASN HBy H 1 2.855 0.005 A 6 ASN HD2y H 1 7.483 0.002 A 6 ASN HD2x H 1 6.725 0.004 A 6 ASN C C 13 174.392 0.000 A 6 ASN CA C 13 53.146 0.000 A 6 ASN CB C 13 38.927 0.000 A 6 ASN CG C 13 176.757 0.042 A 6 ASN N N 15 118.424 0.000 A 6 ASN ND2 N 15 110.791 0.006 A 7 GLY H H 1 8.307 0.002 A 7 GLY HAx H 1 4.059 0.007 A 7 GLY HAy H 1 4.094 0.011 A 7 GLY CA C 13 45.902 0.068 A 7 GLY N N 15 108.391 0.000 A 8 ILE H H 1 7.989 0.001 A 8 ILE HA H 1 4.126 0.020 A 8 ILE HB H 1 1.930 0.025 A 8 ILE HD1% H 1 0.943 0.008 A 8 ILE HG1x H 1 1.293 0.002 A 8 ILE HG1y H 1 1.589 0.008 A 8 ILE HG2% H 1 0.977 0.003 A 8 ILE C C 13 176.811 0.000 A 8 ILE CA C 13 63.018 0.000 A 8 ILE CB C 13 38.402 0.000 A 8 ILE CD1 C 13 12.402 0.000 A 8 ILE CG1 C 13 28.027 0.026 A 8 ILE CG2 C 13 16.937 0.000 A 8 ILE N N 15 120.369 0.000 A 9 GLY H H 1 8.243 0.003 A 9 GLY HAx H 1 3.844 0.008 A 9 GLY HAy H 1 3.844 0.008 A 9 GLY CA C 13 46.491 0.000 A 9 GLY N N 15 108.169 0.000 A 10 TYR H H 1 7.763 0.003 A 10 TYR HA H 1 4.408 0.003 A 10 TYR HBx H 1 3.077 0.006 A 10 TYR HBy H 1 3.155 0.010 A 10 TYR HDx H 1 7.159 0.004 A 10 TYR HDy H 1 7.159 0.004 A 10 TYR HEx H 1 6.867 0.010 A 10 TYR HEy H 1 6.867 0.010 A 10 TYR CA C 13 59.789 0.000 A 10 TYR CB C 13 38.316 0.000 A 10 TYR CDx C 13 133.017 0.000 A 10 TYR CEx C 13 118.211 0.000 A 10 TYR CG C 13 130.508 0.000 A 10 TYR CZ C 13 157.527 0.000 A 10 TYR N N 15 119.911 0.000 A 11 ALA H H 1 7.899 0.004 A 11 ALA HA H 1 4.229 0.005 A 11 ALA HB% H 1 1.571 0.005 A 11 ALA C C 13 179.361 0.000 A 11 ALA CA C 13 54.791 0.011 A 11 ALA CB C 13 17.766 0.000 A 11 ALA N N 15 122.809 0.000 A 12 ILE H H 1 8.091 0.002 A 12 ILE HA H 1 3.927 0.002 A 12 ILE HB H 1 1.894 0.003 A 12 ILE HD1% H 1 0.903 0.009 A 12 ILE HG1x H 1 1.233 0.004 A 12 ILE HG1y H 1 1.687 0.003 A 12 ILE HG2% H 1 0.913 0.009 A 12 ILE CA C 13 64.005 0.000 A 12 ILE CB C 13 38.109 0.000 A 12 ILE CD1 C 13 12.240 0.000 A 12 ILE CG1 C 13 28.304 0.053 A 12 ILE CG2 C 13 16.658 0.000 A 12 ILE N N 15 117.663 0.000 A 13 GLY H H 1 8.014 0.017 A 13 GLY HAx H 1 3.974 0.000 A 13 GLY HAy H 1 4.136 0.004 A 13 GLY N N 15 108.042 0.000 A 14 TYR H H 1 8.158 0.003 A 14 TYR HA H 1 4.310 0.001 A 14 TYR HBx H 1 3.043 0.007 A 14 TYR HBy H 1 3.171 0.008 A 14 TYR HDx H 1 7.148 0.006 A 14 TYR HDy H 1 7.148 0.006 A 14 TYR HEx H 1 6.858 0.004 A 14 TYR HEy H 1 6.858 0.004 A 14 TYR CA C 13 60.839 0.000 A 14 TYR CB C 13 38.340 0.033 A 14 TYR CDx C 13 133.063 0.000 A 14 TYR CEx C 13 118.101 0.000 A 14 TYR CG C 13 130.497 0.000 A 14 TYR CZ C 13 157.539 0.000 A 14 TYR N N 15 121.815 0.000 A 15 ALA H H 1 8.233 0.001 A 15 ALA HA H 1 4.162 0.011 A 15 ALA HB% H 1 1.553 0.006 A 15 ALA C C 13 179.200 0.054 A 15 ALA CA C 13 55.091 0.054 A 15 ALA CB C 13 17.743 0.000 A 15 ALA N N 15 123.427 0.000 A 16 PHE H H 1 8.531 0.001 A 16 PHE HA H 1 4.363 0.009 A 16 PHE HBx H 1 3.189 0.016 A 16 PHE HBy H 1 3.210 0.032 A 16 PHE HDx H 1 7.247 0.009 A 16 PHE HDy H 1 7.247 0.009 A 16 PHE HEx H 1 7.286 0.004 A 16 PHE HEy H 1 7.286 0.004 A 16 PHE HZ H 1 7.232 0.000 A 16 PHE CA C 13 60.569 0.000 A 16 PHE CB C 13 43.263 0.032 A 16 PHE CDx C 13 131.196 0.000 A 16 PHE CEx C 13 130.978 0.000 A 16 PHE CG C 13 139.105 0.011 A 16 PHE CZ C 13 129.360 0.000 A 16 PHE N N 15 116.921 0.000 A 17 GLY H H 1 8.095 0.003 A 17 GLY HAx H 1 3.893 0.003 A 17 GLY HAy H 1 3.893 0.003 A 17 GLY CA C 13 46.840 0.000 A 17 GLY N N 15 105.887 0.000 A 18 ALA H H 1 7.858 0.010 A 18 ALA HA H 1 4.088 0.006 A 18 ALA HB% H 1 1.501 0.003 A 18 ALA C C 13 180.375 0.047 A 18 ALA CA C 13 55.324 0.000 A 18 ALA CB C 13 17.605 0.000 A 18 ALA N N 15 123.999 0.000 A 19 VAL H H 1 7.970 0.018 A 19 VAL HA H 1 3.669 0.002 A 19 VAL HB H 1 2.152 0.006 A 19 VAL HG1% H 1 0.936 0.013 A 19 VAL HG2% H 1 1.072 0.001 A 19 VAL CA C 13 66.502 0.000 A 19 VAL CB C 13 31.765 0.000 A 19 VAL CGx C 13 20.389 0.000 A 19 VAL CGy C 13 21.819 0.000 A 19 VAL N N 15 119.834 0.000 A 20 GLU H H 1 8.263 0.006 A 20 GLU HA H 1 3.866 0.007 A 20 GLU HBx H 1 2.032 0.006 A 20 GLU HBy H 1 2.124 0.009 A 20 GLU HGx H 1 2.280 0.003 A 20 GLU HGy H 1 2.406 0.003 A 20 GLU CA C 13 59.604 0.000 A 20 GLU CB C 13 27.822 0.050 A 20 GLU CD C 13 178.980 0.024 A 20 GLU CG C 13 32.875 0.003 A 20 GLU N N 15 118.154 0.000 A 21 ARG H H 1 8.007 0.016 A 21 ARG HA H 1 3.974 0.001 A 21 ARG HBx H 1 1.908 0.002 A 21 ARG HBy H 1 1.940 0.011 A 21 ARG HDx H 1 3.222 0.000 A 21 ARG HDy H 1 3.222 0.000 A 21 ARG HGx H 1 1.609 0.014 A 21 ARG HGy H 1 1.609 0.014 A 21 ARG CA C 13 59.705 0.000 A 21 ARG CB C 13 30.141 0.089 A 21 ARG CG C 13 28.086 0.000 A 22 ALA H H 1 7.930 0.003 A 22 ALA HA H 1 4.201 0.006 A 22 ALA HB% H 1 1.605 0.008 A 22 ALA C C 13 180.595 0.006 A 22 ALA CA C 13 55.046 0.046 A 22 ALA CB C 13 17.756 0.000 A 22 ALA N N 15 122.985 0.000 A 23 VAL H H 1 8.512 0.002 A 23 VAL HA H 1 3.778 0.001 A 23 VAL HB H 1 2.184 0.001 A 23 VAL HG1% H 1 1.075 0.001 A 23 VAL HG2% H 1 0.970 0.002 A 23 VAL CA C 13 66.053 0.000 A 23 VAL CB C 13 32.037 0.000 A 23 VAL CGy C 13 21.570 0.000 A 23 VAL CGx C 13 20.498 0.000 A 23 VAL N N 15 119.108 0.000 A 24 LEU H H 1 8.480 0.005 A 24 LEU HA H 1 4.235 0.005 A 24 LEU HBx H 1 1.574 0.004 A 24 LEU HBy H 1 1.902 0.008 A 24 LEU HD1% H 1 0.917 0.005 A 24 LEU HD2% H 1 0.917 0.005 A 24 LEU HG H 1 1.834 0.000 A 24 LEU CA C 13 57.204 0.000 A 24 LEU CB C 13 41.761 0.007 A 24 LEU CDx C 13 24.471 0.000 A 24 LEU CG C 13 26.992 0.000 A 24 LEU N N 15 120.029 0.000 A 25 GLY H H 1 8.146 0.006 A 25 GLY HAx H 1 3.965 0.012 A 25 GLY HAy H 1 4.027 0.006 A 25 GLY CA C 13 46.078 0.045 A 25 GLY N N 15 106.295 0.000 A 26 GLY H H 1 7.995 0.003 A 26 GLY HAx H 1 3.891 0.000 A 26 GLY HAy H 1 3.891 0.000 A 26 GLY N N 15 106.665 0.000 A 27 SER H H 1 8.068 0.013 A 27 SER HA H 1 4.415 0.003 A 27 SER HBx H 1 3.997 0.006 A 27 SER HBy H 1 4.031 0.001 A 27 SER CB C 13 63.608 0.003 A 27 SER N N 15 115.282 0.000 A 28 ARG H H 1 7.987 0.005 A 28 ARG HA H 1 4.353 0.006 A 28 ARG HBx H 1 1.811 0.001 A 28 ARG HBy H 1 1.925 0.014 A 28 ARG HDx H 1 3.239 0.002 A 28 ARG HDy H 1 3.239 0.002 A 28 ARG HE H 1 7.231 0.000 A 28 ARG HGx H 1 1.708 0.011 A 28 ARG HGy H 1 1.708 0.011 A 28 ARG CA C 13 56.445 0.000 A 28 ARG CD C 13 43.309 0.000 A 28 ARG CG C 13 27.080 0.000 A 28 ARG N N 15 120.986 0.000 A 29 ASP H H 1 8.095 0.002 A 29 ASP HA H 1 4.727 0.001 A 29 ASP HBy H 1 2.942 0.012 A 29 ASP HBx H 1 2.825 0.003 A 29 ASP C C 13 174.757 0.070 A 29 ASP CB C 13 37.688 0.020 A 29 ASP CG C 13 176.525 0.048 A 30 TYR H H 1 7.885 0.005 A 30 TYR HA H 1 4.554 0.003 A 30 TYR HBx H 1 3.012 0.007 A 30 TYR HBy H 1 3.151 0.010 A 30 TYR HDx H 1 7.154 0.004 A 30 TYR HDy H 1 7.154 0.004 A 30 TYR HEx H 1 6.866 0.018 A 30 TYR HEy H 1 6.866 0.018 A 30 TYR C C 13 175.274 0.000 A 30 TYR CA C 13 58.226 0.000 A 30 TYR CB C 13 38.355 0.025 A 30 TYR CDx C 13 132.944 0.032 A 30 TYR CEx C 13 118.038 0.000 A 30 TYR CG C 13 130.503 0.018 A 30 TYR CZ C 13 157.515 0.000 A 30 TYR N N 15 119.689 0.000 A 31 ASN H H 1 8.081 0.004 A 31 ASN HA H 1 4.739 0.003 A 31 ASN HBx H 1 2.762 0.010 A 31 ASN HBy H 1 2.762 0.010 A 31 ASN HD2y H 1 7.453 0.006 A 31 ASN HD2x H 1 6.742 0.000 A 31 ASN C C 13 174.469 0.042 A 31 ASN CA C 13 53.266 0.000 A 31 ASN CB C 13 38.838 0.007 A 31 ASN CG C 13 177.204 0.000 A 31 ASN N N 15 118.821 0.000 A 31 ASN ND2 N 15 111.193 0.013 A 32 LYS H H 1 7.920 0.004 A 32 LYS HA H 1 4.420 0.006 A 32 LYS HBx H 1 1.833 0.008 A 32 LYS HBy H 1 1.982 0.005 A 32 LYS HDx H 1 1.750 0.009 A 32 LYS HDy H 1 1.750 0.009 A 32 LYS HEx H 1 3.050 0.000 A 32 LYS HEy H 1 3.050 0.000 A 32 LYS HGx H 1 1.506 0.009 A 32 LYS HGy H 1 1.506 0.009 A 32 LYS C C 13 174.690 0.000 A 32 LYS CA C 13 55.216 0.028 A 32 LYS CB C 13 32.754 0.001 A 32 LYS CD C 13 28.945 0.000 A 32 LYS CE C 13 42.258 0.000 A 32 LYS CG C 13 24.609 0.000 A 32 LYS N N 15 120.474 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _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 2 ARG H A 1 ARG HGx 1.0 . 4.76 2 1 A 1 ARG HGy A 2 ARG H 1.0 . 4.76 3 2 A 2 ARG H A 2 ARG HGx 1.0 . 4.96 4 2 A 2 ARG H A 2 ARG HGy 1.0 . 4.96 5 3 A 4 ARG H A 4 ARG HGx 1.0 . 4.30 6 3 A 4 ARG H A 4 ARG HGy 1.0 . 4.30 7 4 A 19 VAL H A 19 VAL HB 1.0 . 3.28 8 5 A 19 VAL H A 19 VAL HG2% 1.0 . 3.36 9 6 A 8 ILE H A 8 ILE HD1% 1.0 . 3.29 10 7 A 23 VAL H A 23 VAL HG2% 1.0 . 3.36 11 8 A 23 VAL H A 23 VAL HG1% 1.0 . 3.94 12 9 A 23 VAL H A 23 VAL HB 1.0 . 3.41 13 10 A 20 GLU HA A 20 GLU HGx 1.0 . 4.05 14 11 A 20 GLU HA A 20 GLU HGy 1.0 . 4.05 15 12 A 9 GLY H A 9 GLY HAx 1.0 . 2.69 16 12 A 9 GLY H A 9 GLY HAy 1.0 . 2.69 17 13 A 5 LYS H A 5 LYS HGx 1.0 . 5.50 18 14 A 5 LYS H A 5 LYS HGy 1.0 . 5.50 19 15 A 18 ALA HB% A 20 GLU H 1.0 . 5.32 20 16 A 5 LYS H A 4 ARG HGx 1.0 . 5.50 21 16 A 4 ARG HGy A 5 LYS H 1.0 . 5.50 22 17 A 5 LYS H A 5 LYS HDx 1.0 . 5.50 23 17 A 5 LYS H A 5 LYS HDy 1.0 . 5.50 24 18 A 5 LYS H A 5 LYS HBx 1.0 . 3.72 25 19 A 5 LYS H A 5 LYS HBy 1.0 . 3.72 26 20 A 15 ALA H A 15 ALA HB% 1.0 . 3.09 27 21 A 18 ALA HB% A 18 ALA H 1.0 . 3.18 28 22 A 10 TYR H A 10 TYR HBy 1.0 . 3.58 29 23 A 10 TYR H A 10 TYR HBx 1.0 . 3.47 30 24 A 14 TYR H A 14 TYR HBy 1.0 . 3.38 31 25 A 14 TYR H A 14 TYR HBx 1.0 . 3.37 32 26 A 8 ILE H A 8 ILE HG2% 1.0 . 3.97 33 27 A 23 VAL HG1% A 23 VAL HA 1.0 . 3.40 34 28 A 23 VAL HG2% A 23 VAL HA 1.0 . 3.20 35 29 A 19 VAL HG2% A 19 VAL HA 1.0 . 3.21 36 30 A 19 VAL HA A 19 VAL HG1% 1.0 . 3.51 37 31 A 11 ALA H A 11 ALA HB% 1.0 . 2.77 38 32 A 12 ILE H A 12 ILE HD1% 1.0 . 3.55 39 33 A 12 ILE H A 12 ILE HB 1.0 . 2.97 40 34 A 28 ARG H A 28 ARG HGx 1.0 . 4.22 41 34 A 28 ARG H A 28 ARG HGy 1.0 . 4.22 42 35 A 28 ARG HA A 28 ARG HGx 1.0 . 3.82 43 35 A 28 ARG HGy A 28 ARG HA 1.0 . 3.82 44 36 A 13 GLY H A 16 PHE HBx 1.0 . 5.04 45 37 A 28 ARG H A 28 ARG HDx 1.0 . 5.48 46 37 A 28 ARG H A 28 ARG HDy 1.0 . 5.48 47 38 A 13 GLY H A 13 GLY HAx 1.0 . 2.73 48 38 A 13 GLY H A 13 GLY HAy 1.0 . 2.73 49 39 A 6 ASN H A 6 ASN HBx 1.0 . 3.52 50 39 A 6 ASN H A 6 ASN HBy 1.0 . 3.52 51 40 A 29 ASP H A 29 ASP HBy 1.0 . 3.79 52 41 A 17 GLY H A 17 GLY HAy 1.0 . 2.70 53 41 A 17 GLY H A 17 GLY HAx 1.0 . 2.70 54 42 A 29 ASP H A 29 ASP HBx 1.0 . 3.79 55 43 A 32 LYS H A 32 LYS HGx 1.0 . 5.22 56 43 A 32 LYS H A 32 LYS HGy 1.0 . 5.22 57 44 A 16 PHE H A 16 PHE HBy 1.0 . 3.89 58 45 A 20 GLU H A 20 GLU HBx 1.0 . 3.29 59 46 A 20 GLU H A 20 GLU HGx 1.0 . 4.40 60 47 A 2 ARG H A 3 SER H 1.0 . 4.96 61 48 A 4 ARG H A 3 SER H 1.0 . 4.04 62 49 A 4 ARG H A 5 LYS H 1.0 . 3.46 63 50 A 5 LYS H A 7 GLY H 1.0 . 2.93 64 51 A 19 VAL HB A 16 PHE HA 1.0 . 3.72 65 52 A 4 ARG H A 3 SER HBy 1.0 . 4.22 66 53 A 15 ALA H A 14 TYR HBy 1.0 . 3.51 67 54 A 15 ALA H A 14 TYR HBx 1.0 . 3.89 68 55 A 20 GLU H A 20 GLU HGy 1.0 . 4.40 69 56 A 3 SER H A 2 ARG HA 1.0 . 3.25 70 57 A 2 ARG H A 1 ARG HA 1.0 . 3.52 71 58 A 2 ARG H A 1 ARG HBx 1.0 . 4.42 72 58 A 2 ARG H A 1 ARG HBy 1.0 . 4.42 73 59 A 3 SER H A 2 ARG HBy 1.0 . 4.96 74 60 A 3 SER H A 2 ARG HBx 1.0 . 4.96 75 61 A 3 SER H A 2 ARG HGx 1.0 . 4.62 76 61 A 2 ARG HGy A 3 SER H 1.0 . 4.62 77 62 A 20 GLU H A 20 GLU HBy 1.0 . 3.69 78 63 A 7 GLY H A 6 ASN HBx 1.0 . 3.90 79 63 A 6 ASN HBy A 7 GLY H 1.0 . 3.90 80 64 A 9 GLY H A 8 ILE HB 1.0 . 3.45 81 65 A 6 ASN H A 5 LYS HBy 1.0 . 4.53 82 66 A 6 ASN H A 5 LYS HBx 1.0 . 4.53 83 67 A 6 ASN H A 7 GLY H 1.0 . 3.68 84 68 A 10 TYR H A 11 ALA H 1.0 . 3.59 85 69 A 9 GLY H A 10 TYR H 1.0 . 3.79 86 70 A 10 TYR HBy A 11 ALA H 1.0 . 4.30 87 71 A 10 TYR HBx A 11 ALA H 1.0 . 3.80 88 72 A 24 LEU H A 24 LEU HD1% 1.0 . 3.55 89 72 A 24 LEU H A 24 LEU HD2% 1.0 . 3.55 90 73 A 23 VAL HG2% A 24 LEU H 1.0 . 4.03 91 74 A 23 VAL H A 19 VAL HA 1.0 . 5.08 92 75 A 23 VAL H A 22 ALA HB% 1.0 . 3.85 93 76 A 23 VAL HB A 24 LEU H 1.0 . 3.62 94 77 A 19 VAL HA A 22 ALA H 1.0 . 3.99 95 78 A 19 VAL HG2% A 20 GLU H 1.0 . 4.28 96 79 A 20 GLU H A 19 VAL HG1% 1.0 . 3.94 97 80 A 9 GLY H A 8 ILE HG2% 1.0 . 4.13 98 81 A 9 GLY H A 12 ILE HD1% 1.0 . 4.54 99 82 A 19 VAL HB A 20 GLU H 1.0 . 3.67 100 83 A 19 VAL H A 18 ALA HB% 1.0 . 3.44 101 84 A 20 GLU H A 18 ALA HA 1.0 . 4.23 102 85 A 24 LEU H A 24 LEU HBx 1.0 . 3.74 103 86 A 24 LEU H A 24 LEU HBy 1.0 . 3.74 104 87 A 22 ALA H A 21 ARG HBx 1.0 . 3.63 105 88 A 22 ALA H A 21 ARG HBy 1.0 . 4.03 106 89 A 20 GLU HBx A 22 ALA H 1.0 . 5.50 107 90 A 20 GLU HBx A 21 ARG H 1.0 . 3.84 108 91 A 8 ILE H A 8 ILE HB 1.0 . 3.21 109 92 A 12 ILE HB A 13 GLY H 1.0 . 3.16 110 93 A 21 ARG HBx A 21 ARG H 1.0 . 3.26 111 94 A 25 GLY H A 24 LEU HBy 1.0 . 3.75 112 95 A 25 GLY H A 24 LEU HBx 1.0 . 3.75 113 96 A 8 ILE H A 8 ILE HG1y 1.0 . 4.06 114 97 A 21 ARG H A 21 ARG HGx 1.0 . 3.98 115 97 A 21 ARG H A 21 ARG HGy 1.0 . 3.98 116 98 A 12 ILE H A 12 ILE HG1y 1.0 . 3.56 117 99 A 11 ALA HB% A 12 ILE H 1.0 . 3.45 118 100 A 15 ALA HB% A 16 PHE H 1.0 . 3.57 119 101 A 25 GLY H A 24 LEU HD1% 1.0 . 4.21 120 101 A 24 LEU HD2% A 25 GLY H 1.0 . 4.21 121 102 A 13 GLY H A 11 ALA HA 1.0 . 4.69 122 103 A 14 TYR H A 11 ALA HA 1.0 . 3.94 123 104 A 16 PHE HBx A 16 PHE H 1.0 . 3.37 124 105 A 16 PHE HBx A 17 GLY H 1.0 . 4.24 125 106 A 17 GLY H A 16 PHE HBy 1.0 . 3.20 126 107 A 28 ARG HA A 29 ASP H 1.0 . 3.26 127 108 A 18 ALA H A 15 ALA HA 1.0 . 4.24 128 109 A 18 ALA H A 17 GLY HAy 1.0 . 3.47 129 109 A 18 ALA H A 17 GLY HAx 1.0 . 3.47 130 110 A 10 TYR H A 9 GLY HAx 1.0 . 3.53 131 110 A 9 GLY HAy A 10 TYR H 1.0 . 3.53 132 111 A 5 LYS H A 4 ARG HA 1.0 . 3.24 133 112 A 28 ARG H A 27 SER HA 1.0 . 3.42 134 113 A 12 ILE H A 12 ILE HG1x 1.0 . 3.98 135 114 A 8 ILE H A 8 ILE HG1x 1.0 . 4.06 136 115 A 30 TYR HA A 30 TYR HD% 1.0 . 3.84 137 116 A 4 ARG H A 3 SER HBx 1.0 . 4.22 138 117 A 19 VAL HG1% A 22 ALA H 1.0 . 4.88 139 118 A 23 VAL HG2% A 22 ALA H 1.0 . 4.06 140 119 A 19 VAL HG2% A 18 ALA H 1.0 . 4.76 141 120 A 10 TYR HA A 10 TYR HD% 1.0 . 3.49 142 121 A 14 TYR HA A 14 TYR HD% 1.0 . 3.53 143 122 A 16 PHE HA A 16 PHE HE% 1.0 . 4.71 144 123 A 30 TYR HD% A 29 ASP HA 1.0 . 5.23 145 124 A 17 GLY H A 16 PHE H 1.0 . 3.51 146 125 A 24 LEU H A 25 GLY H 1.0 . 3.52 147 126 A 23 VAL H A 22 ALA H 1.0 . 3.46 148 127 A 8 ILE H A 7 GLY H 1.0 . 4.08 149 128 A 19 VAL H A 20 GLU H 1.0 . 3.51 150 129 A 20 GLU H A 21 ARG H 1.0 . 3.49 151 130 A 14 TYR H A 11 ALA H 1.0 . 4.63 152 131 A 14 TYR H A 13 GLY H 1.0 . 3.33 153 132 A 12 ILE H A 13 GLY H 1.0 . 2.89 154 133 A 19 VAL H A 18 ALA H 1.0 . 3.19 155 134 A 8 ILE H A 10 TYR H 1.0 . 4.87 156 135 A 10 TYR H A 13 GLY H 1.0 . 5.50 157 136 A 15 ALA H A 16 PHE H 1.0 . 3.56 158 137 A 5 LYS H A 3 SER H 1.0 . 4.00 159 138 A 10 TYR H A 10 TYR HD% 1.0 . 4.06 160 139 A 30 TYR HD% A 30 TYR H 1.0 . 4.33 161 140 A 29 ASP H A 30 TYR HD% 1.0 . 5.46 162 141 A 30 TYR HD% A 31 ASN H 1.0 . 5.50 163 142 A 14 TYR H A 14 TYR HD% 1.0 . 4.39 164 143 A 9 GLY H A 10 TYR HD% 1.0 . 4.40 165 144 A 16 PHE H A 16 PHE HD% 1.0 . 4.65 166 145 A 17 GLY H A 16 PHE HD% 1.0 . 4.81 167 146 A 10 TYR HA A 10 TYR HE% 1.0 . 4.70 168 147 A 14 TYR HA A 14 TYR HE% 1.0 . 4.71 169 148 A 10 TYR H A 11 ALA HB% 1.0 . 4.54 170 149 A 19 VAL HB A 18 ALA H 1.0 . 4.64 171 150 A 10 TYR H A 8 ILE HG2% 1.0 . 5.22 172 151 A 10 TYR H A 12 ILE HD1% 1.0 . 5.10 173 152 A 23 VAL HG2% A 25 GLY H 1.0 . 5.50 174 153 A 5 LYS H A 6 ASN HBx 1.0 . 3.59 175 153 A 5 LYS H A 6 ASN HBy 1.0 . 3.59 176 154 A 30 TYR H A 29 ASP HBy 1.0 . 4.60 177 155 A 30 TYR H A 29 ASP HBx 1.0 . 4.60 178 156 A 18 ALA H A 21 ARG HBx 1.0 . 5.50 179 157 A 8 ILE H A 10 TYR HBx 1.0 . 4.83 180 158 A 18 ALA H A 19 VAL HA 1.0 . 5.40 181 159 A 5 LYS H A 6 ASN HA 1.0 . 4.61 182 160 A 32 LYS H A 32 LYS HDx 1.0 . 5.50 183 160 A 32 LYS H A 32 LYS HDy 1.0 . 5.50 184 161 A 10 TYR H A 11 ALA HA 1.0 . 5.38 185 162 A 10 TYR H A 13 GLY HAx 1.0 . 5.50 186 162 A 10 TYR H A 13 GLY HAy 1.0 . 5.50 187 163 A 2 ARG HE A 2 ARG HGx 1.0 . 3.65 188 163 A 2 ARG HGy A 2 ARG HE 1.0 . 3.65 189 164 A 19 VAL HA A 22 ALA HB% 1.0 . 3.43 190 165 A 23 VAL HA A 22 ALA HB% 1.0 . 4.42 191 166 A 18 ALA HB% A 19 VAL HA 1.0 . 4.45 192 167 A 23 VAL HB A 20 GLU HA 1.0 . 4.24 193 168 A 23 VAL HB A 24 LEU HA 1.0 . 4.59 194 169 A 14 TYR HBx A 11 ALA HA 1.0 . 3.80 195 170 A 14 TYR HBy A 11 ALA HA 1.0 . 3.52 196 171 A 14 TYR HBx A 15 ALA HA 1.0 . 5.50 197 172 A 14 TYR HBy A 15 ALA HA 1.0 . 4.28 198 173 A 10 TYR HBy A 7 GLY HAy 1.0 . 5.04 199 174 A 10 TYR HBy A 7 GLY HAx 1.0 . 5.04 200 175 A 21 ARG HA A 21 ARG HDx 1.0 . 3.96 201 175 A 21 ARG HA A 21 ARG HDy 1.0 . 3.96 202 176 A 16 PHE HBy A 13 GLY HAx 1.0 . 4.35 203 176 A 13 GLY HAy A 16 PHE HBy 1.0 . 4.35 204 177 A 16 PHE HBy A 17 GLY HAy 1.0 . 4.81 205 177 A 17 GLY HAx A 16 PHE HBy 1.0 . 4.81 206 178 A 16 PHE HBx A 13 GLY HAx 1.0 . 3.63 207 178 A 16 PHE HBx A 13 GLY HAy 1.0 . 3.63 208 179 A 14 TYR HBx A 13 GLY HAx 1.0 . 4.80 209 179 A 14 TYR HBx A 13 GLY HAy 1.0 . 4.80 210 180 A 10 TYR HD% A 7 GLY HAy 1.0 . 4.56 211 181 A 19 VAL HG2% A 16 PHE HA 1.0 . 4.13 212 182 A 8 ILE HG2% A 8 ILE HA 1.0 . 3.43 213 183 A 12 ILE HD1% A 8 ILE HA 1.0 . 4.97 214 184 A 19 VAL HG2% A 15 ALA HA 1.0 . 4.34 215 185 A 23 VAL HG2% A 22 ALA HA 1.0 . 4.86 216 186 A 23 VAL HG2% A 20 GLU HA 1.0 . 3.47 217 187 A 8 ILE HG2% A 9 GLY HAx 1.0 . 3.58 218 187 A 9 GLY HAy A 8 ILE HG2% 1.0 . 3.58 219 188 A 11 ALA HB% A 12 ILE HA 1.0 . 3.81 220 189 A 12 ILE HG1y A 12 ILE HA 1.0 . 3.63 221 190 A 15 ALA HB% A 16 PHE HA 1.0 . 4.03 222 191 A 4 ARG HA A 4 ARG HGx 1.0 . 4.22 223 191 A 4 ARG HGy A 4 ARG HA 1.0 . 4.22 224 192 A 11 ALA HB% A 10 TYR HA 1.0 . 5.28 225 193 A 12 ILE HB A 9 GLY HAx 1.0 . 4.54 226 193 A 9 GLY HAy A 12 ILE HB 1.0 . 4.54 227 194 A 12 ILE HB A 13 GLY HAx 1.0 . 3.91 228 194 A 12 ILE HB A 13 GLY HAy 1.0 . 3.91 229 195 A 2 ARG HDy A 2 ARG HBy 1.0 . 3.98 230 195 A 2 ARG HBy A 2 ARG HDx 1.0 . 3.98 231 196 A 2 ARG HDy A 2 ARG HBx 1.0 . 3.98 232 196 A 2 ARG HBx A 2 ARG HDx 1.0 . 3.98 233 197 A 21 ARG HDx A 21 ARG HGx 1.0 . 3.00 234 197 A 21 ARG HGy A 21 ARG HDx 1.0 . 3.00 235 197 A 21 ARG HGy A 21 ARG HDy 1.0 . 3.00 236 197 A 21 ARG HDy A 21 ARG HGx 1.0 . 3.00 237 198 A 14 TYR HBx A 11 ALA HB% 1.0 . 4.69 238 199 A 10 TYR HBy A 11 ALA HB% 1.0 . 4.36 239 200 A 12 ILE HD1% A 9 GLY HAx 1.0 . 4.49 240 200 A 9 GLY HAy A 12 ILE HD1% 1.0 . 4.49 241 201 A 12 ILE HG2% A 13 GLY HAx 1.0 . 3.48 242 201 A 13 GLY HAy A 12 ILE HG2% 1.0 . 3.48 243 202 A 8 ILE H A 6 ASN HBx 1.0 . 5.50 244 202 A 8 ILE H A 6 ASN HBy 1.0 . 5.50 245 203 A 30 TYR HA A 30 TYR HE% 1.0 . 5.50 246 204 A 15 ALA HA A 14 TYR HD% 1.0 . 3.85 247 205 A 10 TYR HD% A 7 GLY HAx 1.0 . 4.56 248 206 A 11 ALA HA A 14 TYR HD% 1.0 . 4.42 249 207 A 16 PHE HE% A 13 GLY HAx 1.0 . 5.14 250 207 A 13 GLY HAy A 16 PHE HE% 1.0 . 5.14 251 208 A 4 ARG H A 2 ARG HA 1.0 . 5.50 252 209 A 5 LYS H A 2 ARG HA 1.0 . 5.50 253 210 A 5 LYS H A 3 SER HA 1.0 . 4.69 254 211 A 19 VAL HB A 16 PHE HD% 1.0 . 3.98 255 212 A 11 ALA H A 12 ILE HG1y 1.0 . 5.04 256 213 A 8 ILE HB A 10 TYR HD% 1.0 . 4.78 257 214 A 15 ALA HB% A 14 TYR HD% 1.0 . 4.02 258 215 A 16 PHE HD% A 20 GLU HGy 1.0 . 5.50 259 216 A 16 PHE HD% A 20 GLU HGx 1.0 . 5.50 260 217 A 18 ALA H A 16 PHE HA 1.0 . 4.42 261 218 A 7 GLY H A 4 ARG HA 1.0 . 4.73 262 219 A 7 GLY H A 5 LYS HA 1.0 . 4.73 263 220 A 14 TYR H A 10 TYR HA 1.0 . 4.77 264 221 A 14 TYR H A 13 GLY HAx 1.0 . 3.22 265 221 A 14 TYR H A 13 GLY HAy 1.0 . 3.22 266 222 A 23 VAL HA A 22 ALA H 1.0 . 5.50 267 223 A 10 TYR HE% A 9 GLY HAx 1.0 . 5.50 268 223 A 9 GLY HAy A 10 TYR HE% 1.0 . 5.50 269 224 A 16 PHE HD% A 13 GLY HAx 1.0 . 4.02 270 224 A 13 GLY HAy A 16 PHE HD% 1.0 . 4.02 271 225 A 3 SER H A 6 ASN HBx 1.0 . 5.06 272 225 A 6 ASN HBy A 3 SER H 1.0 . 5.06 273 226 A 16 PHE HE% A 12 ILE HG2% 1.0 . 4.24 274 227 A 16 PHE HD% A 12 ILE HG2% 1.0 . 3.79 275 228 A 19 VAL HG2% A 16 PHE HD% 1.0 . 4.48 276 229 A 15 ALA HB% A 14 TYR HE% 1.0 . 5.50 277 230 A 18 ALA HB% A 14 TYR HE% 1.0 . 4.77 278 231 A 18 ALA HB% A 14 TYR HD% 1.0 . 5.50 279 232 A 7 GLY H A 10 TYR HD% 1.0 . 5.22 280 233 A 20 GLU H A 16 PHE HD% 1.0 . 5.27 281 234 A 8 ILE H A 10 TYR HD% 1.0 . 5.41 282 235 A 16 PHE HBx A 12 ILE HG2% 1.0 . 4.15 283 236 A 16 PHE HBy A 12 ILE HG2% 1.0 . 4.98 284 237 A 24 LEU HD2% A 20 GLU HGy 1.0 . 5.50 285 237 A 20 GLU HGy A 24 LEU HD1% 1.0 . 5.50 286 238 A 24 LEU HD2% A 20 GLU HGx 1.0 . 5.50 287 238 A 20 GLU HGx A 24 LEU HD1% 1.0 . 5.50 288 239 A 23 VAL HG2% A 22 ALA HB% 1.0 . 4.14 289 240 A 19 VAL HG2% A 15 ALA HB% 1.0 . 3.41 290 241 A 19 VAL HG2% A 18 ALA HB% 1.0 . 4.39 291 242 A 24 LEU HD2% A 24 LEU HBx 1.0 . 3.55 292 242 A 24 LEU HBx A 24 LEU HD1% 1.0 . 3.55 293 243 A 12 ILE HD1% A 12 ILE HB 1.0 . 3.55 294 244 A 24 LEU HD2% A 24 LEU HBy 1.0 . 3.55 295 244 A 24 LEU HBy A 24 LEU HD1% 1.0 . 3.55 296 245 A 20 GLU HBy A 24 LEU HD1% 1.0 . 3.44 297 245 A 20 GLU HBy A 24 LEU HD2% 1.0 . 3.44 298 246 A 21 ARG HBx A 21 ARG HGx 1.0 . 2.90 299 246 A 21 ARG HBx A 21 ARG HGy 1.0 . 2.90 300 247 A 1 ARG HBy A 1 ARG HGx 1.0 . 3.01 301 247 A 1 ARG HBx A 1 ARG HGx 1.0 . 3.01 302 247 A 1 ARG HGy A 1 ARG HBx 1.0 . 3.01 303 247 A 1 ARG HGy A 1 ARG HBy 1.0 . 3.01 304 248 A 12 ILE HG1x A 12 ILE HG2% 1.0 . 2.99 305 249 A 12 ILE HG1x A 12 ILE HA 1.0 . 3.35 306 250 A 10 TYR HBx A 7 GLY H 1.0 . 5.17 307 251 A 18 ALA H A 16 PHE HBy 1.0 . 5.25 308 252 A 12 ILE HA A 12 ILE HG2% 1.0 . 2.81 309 253 A 15 ALA HB% A 16 PHE HD% 1.0 . 4.53 310 254 A 19 VAL HB A 16 PHE HBy 1.0 . 5.06 311 255 A 25 GLY H A 24 LEU HG 1.0 . 5.03 312 256 A 10 TYR H A 12 ILE HB 1.0 . 5.22 313 257 A 13 GLY H A 12 ILE HG2% 1.0 . 4.66 314 258 A 12 ILE HD1% A 13 GLY H 1.0 . 5.28 315 259 A 24 LEU HA A 24 LEU HD1% 1.0 . 3.18 316 259 A 24 LEU HD2% A 24 LEU HA 1.0 . 3.18 317 260 A 14 TYR HBx A 13 GLY H 1.0 . 4.84 318 261 A 13 GLY H A 16 PHE HD% 1.0 . 4.78 319 262 A 15 ALA HB% A 14 TYR HA 1.0 . 5.12 320 263 A 5 LYS HA A 5 LYS HDx 1.0 . 4.53 321 263 A 5 LYS HDy A 5 LYS HA 1.0 . 4.53 322 264 A 21 ARG HBy A 22 ALA HA 1.0 . 4.11 323 265 A 20 GLU HBx A 18 ALA HA 1.0 . 5.50 324 266 A 11 ALA H A 12 ILE H 1.0 . 3.87 325 267 A 29 ASP H A 30 TYR H 1.0 . 4.33 326 268 A 10 TYR H A 12 ILE H 1.0 . 5.18 327 269 A 23 VAL HA A 27 SER H 1.0 . 5.50 328 270 A 23 VAL HA A 25 GLY H 1.0 . 5.50 329 271 A 19 VAL HG1% A 16 PHE HA 1.0 . 4.44 330 272 A 12 ILE HG1x A 9 GLY HAx 1.0 . 5.07 331 272 A 9 GLY HAy A 12 ILE HG1x 1.0 . 5.07 332 273 A 18 ALA HB% A 17 GLY HAy 1.0 . 4.67 333 273 A 18 ALA HB% A 17 GLY HAx 1.0 . 4.67 334 274 A 28 ARG HE A 28 ARG HDx 1.0 . 2.85 335 274 A 28 ARG HDy A 28 ARG HE 1.0 . 2.85 336 275 A 1 ARG HBy A 1 ARG HDx 1.0 . 3.78 337 275 A 1 ARG HBx A 1 ARG HDx 1.0 . 3.78 338 275 A 1 ARG HDy A 1 ARG HBx 1.0 . 3.78 339 275 A 1 ARG HBy A 1 ARG HDy 1.0 . 3.78 340 276 A 21 ARG HBx A 21 ARG HDx 1.0 . 3.30 341 276 A 21 ARG HBx A 21 ARG HDy 1.0 . 3.30 342 277 A 21 ARG HBy A 21 ARG HDx 1.0 . 3.49 343 277 A 21 ARG HBy A 21 ARG HDy 1.0 . 3.49 344 278 A 32 LYS HA A 32 LYS HEx 1.0 . 5.50 345 278 A 32 LYS HA A 32 LYS HEy 1.0 . 5.50 346 279 A 12 ILE HG1y A 9 GLY HAx 1.0 . 5.49 347 279 A 9 GLY HAy A 12 ILE HG1y 1.0 . 5.49 348 280 A 20 GLU HBx A 21 ARG HA 1.0 . 3.95 349 281 A 16 PHE HA A 16 PHE HD% 1.0 . 3.94 350 282 A 2 ARG HA A 2 ARG HDx 1.0 . 5.50 351 282 A 2 ARG HA A 2 ARG HDy 1.0 . 5.50 352 283 A 4 ARG HA A 4 ARG HDx 1.0 . 3.42 353 283 A 4 ARG HA A 4 ARG HDy 1.0 . 3.42 354 284 A 2 ARG HA A 3 SER HBx 1.0 . 4.37 355 284 A 2 ARG HA A 3 SER HBy 1.0 . 4.37 356 285 A 2 ARG HBx A 2 ARG HDx 1.0 . 3.19 357 285 A 2 ARG HBy A 2 ARG HDx 1.0 . 3.19 358 285 A 2 ARG HDy A 2 ARG HBx 1.0 . 3.19 359 285 A 2 ARG HDy A 2 ARG HBy 1.0 . 3.19 360 286 A 2 ARG HE A 2 ARG HBx 1.0 . 3.40 361 286 A 2 ARG HE A 2 ARG HBy 1.0 . 3.40 362 287 A 3 SER H A 2 ARG HBx 1.0 . 4.11 363 287 A 3 SER H A 2 ARG HBy 1.0 . 4.11 364 288 A 2 ARG HBx A 3 SER HBx 1.0 . 5.18 365 288 A 2 ARG HBy A 3 SER HBx 1.0 . 5.18 366 288 A 3 SER HBy A 2 ARG HBx 1.0 . 5.18 367 288 A 3 SER HBy A 2 ARG HBy 1.0 . 5.18 368 289 A 3 SER H A 3 SER HBx 1.0 . 3.63 369 289 A 3 SER H A 3 SER HBy 1.0 . 3.63 370 290 A 3 SER H A 5 LYS HBx 1.0 . 5.34 371 290 A 3 SER H A 5 LYS HBy 1.0 . 5.34 372 291 A 3 SER HBy A 4 ARG HBx 1.0 . 5.18 373 291 A 3 SER HBx A 4 ARG HBx 1.0 . 5.18 374 291 A 4 ARG HBy A 3 SER HBx 1.0 . 5.18 375 291 A 3 SER HBy A 4 ARG HBy 1.0 . 5.18 376 292 A 4 ARG H A 4 ARG HBx 1.0 . 2.97 377 292 A 4 ARG H A 4 ARG HBy 1.0 . 2.97 378 293 A 4 ARG HBx A 4 ARG HDx 1.0 . 3.58 379 293 A 4 ARG HBy A 4 ARG HDx 1.0 . 3.58 380 293 A 4 ARG HDy A 4 ARG HBx 1.0 . 3.58 381 293 A 4 ARG HDy A 4 ARG HBy 1.0 . 3.58 382 294 A 5 LYS H A 5 LYS HBx 1.0 . 3.17 383 294 A 5 LYS H A 5 LYS HBy 1.0 . 3.17 384 295 A 5 LYS H A 5 LYS HGy 1.0 . 4.66 385 295 A 5 LYS H A 5 LYS HGx 1.0 . 4.66 386 296 A 5 LYS HBy A 5 LYS HEx 1.0 . 4.20 387 296 A 5 LYS HBx A 5 LYS HEx 1.0 . 4.20 388 296 A 5 LYS HEy A 5 LYS HBx 1.0 . 4.20 389 296 A 5 LYS HBy A 5 LYS HEy 1.0 . 4.20 390 297 A 6 ASN H A 5 LYS HBx 1.0 . 3.94 391 297 A 6 ASN H A 5 LYS HBy 1.0 . 3.94 392 298 A 10 TYR H A 7 GLY HAy 1.0 . 4.22 393 298 A 10 TYR H A 7 GLY HAx 1.0 . 4.22 394 299 A 10 TYR HBx A 7 GLY HAy 1.0 . 4.04 395 299 A 10 TYR HBx A 7 GLY HAx 1.0 . 4.04 396 300 A 10 TYR HBy A 7 GLY HAy 1.0 . 4.35 397 300 A 10 TYR HBy A 7 GLY HAx 1.0 . 4.35 398 301 A 10 TYR HD% A 7 GLY HAy 1.0 . 3.80 399 301 A 10 TYR HD% A 7 GLY HAx 1.0 . 3.80 400 302 A 8 ILE H A 8 ILE HG1y 1.0 . 3.41 401 302 A 8 ILE H A 8 ILE HG1x 1.0 . 3.41 402 303 A 8 ILE HA A 8 ILE HG1y 1.0 . 3.67 403 303 A 8 ILE HA A 8 ILE HG1x 1.0 . 3.67 404 304 A 9 GLY H A 8 ILE HG1y 1.0 . 5.01 405 304 A 9 GLY H A 8 ILE HG1x 1.0 . 5.01 406 305 A 16 PHE HD% A 20 GLU HGy 1.0 . 4.70 407 305 A 16 PHE HD% A 20 GLU HGx 1.0 . 4.70 408 306 A 19 VAL H A 20 GLU HGy 1.0 . 5.19 409 306 A 19 VAL H A 20 GLU HGx 1.0 . 5.19 410 307 A 20 GLU H A 20 GLU HGy 1.0 . 3.72 411 307 A 20 GLU H A 20 GLU HGx 1.0 . 3.72 412 308 A 20 GLU HA A 24 LEU HBx 1.0 . 4.58 413 308 A 20 GLU HA A 24 LEU HBy 1.0 . 4.58 414 309 A 21 ARG H A 20 GLU HGy 1.0 . 4.88 415 309 A 21 ARG H A 20 GLU HGx 1.0 . 4.88 416 310 A 22 ALA H A 20 GLU HGy 1.0 . 5.34 417 310 A 22 ALA H A 20 GLU HGx 1.0 . 5.34 418 311 A 20 GLU HGy A 24 LEU HD1% 1.0 . 4.78 419 311 A 20 GLU HGx A 24 LEU HD1% 1.0 . 4.78 420 311 A 24 LEU HD2% A 20 GLU HGy 1.0 . 4.78 421 311 A 24 LEU HD2% A 20 GLU HGx 1.0 . 4.78 422 312 A 21 ARG HA A 24 LEU HBx 1.0 . 3.15 423 312 A 21 ARG HA A 24 LEU HBy 1.0 . 3.15 424 313 A 24 LEU H A 24 LEU HBx 1.0 . 3.23 425 313 A 24 LEU H A 24 LEU HBy 1.0 . 3.23 426 314 A 24 LEU H A 25 GLY HAx 1.0 . 5.34 427 314 A 24 LEU H A 25 GLY HAy 1.0 . 5.34 428 315 A 26 GLY H A 25 GLY HAx 1.0 . 3.07 429 315 A 25 GLY HAy A 26 GLY H 1.0 . 3.07 430 316 A 28 ARG H A 28 ARG HBx 1.0 . 3.53 431 316 A 28 ARG H A 28 ARG HBy 1.0 . 3.53 432 317 A 28 ARG HBx A 28 ARG HDx 1.0 . 3.50 433 317 A 28 ARG HBy A 28 ARG HDx 1.0 . 3.50 434 317 A 28 ARG HDy A 28 ARG HBx 1.0 . 3.50 435 317 A 28 ARG HDy A 28 ARG HBy 1.0 . 3.50 436 318 A 28 ARG HE A 28 ARG HBx 1.0 . 3.63 437 318 A 28 ARG HE A 28 ARG HBy 1.0 . 3.63 438 319 A 29 ASP H A 29 ASP HBx 1.0 . 3.28 439 319 A 29 ASP H A 29 ASP HBy 1.0 . 3.28 440 320 A 30 TYR HD% A 29 ASP HBx 1.0 . 5.18 441 320 A 30 TYR HD% A 29 ASP HBy 1.0 . 5.18 442 321 A 30 TYR H A 30 TYR HBx 1.0 . 3.54 443 321 A 30 TYR H A 30 TYR HBy 1.0 . 3.54 444 322 A 31 ASN H A 30 TYR HBx 1.0 . 4.38 445 322 A 31 ASN H A 30 TYR HBy 1.0 . 4.38 446 323 A 32 LYS HBx A 32 LYS HDx 1.0 . 3.31 447 323 A 32 LYS HBy A 32 LYS HDx 1.0 . 3.31 448 323 A 32 LYS HDy A 32 LYS HBx 1.0 . 3.31 449 323 A 32 LYS HDy A 32 LYS HBy 1.0 . 3.31 450 324 A 5 LYS H A 4 ARG HBx 1.0 . 4.50 451 324 A 5 LYS H A 4 ARG HBy 1.0 . 4.50 452 325 A 28 ARG H A 27 SER HBx 1.0 . 5.50 453 326 A 29 ASP H A 28 ARG HBx 1.0 . 4.00 454 326 A 29 ASP H A 28 ARG HBy 1.0 . 4.00 455 327 A 4 ARG H A 3 SER HA 1.0 . 3.50 456 328 A 7 GLY H A 6 ASN HA 1.0 . 3.50 457 329 A 8 ILE H A 7 GLY HAy 1.0 . 4.50 458 329 A 8 ILE H A 7 GLY HAx 1.0 . 4.50 459 330 A 16 PHE H A 15 ALA HA 1.0 . 4.00 460 331 A 19 VAL H A 18 ALA HA 1.0 . 5.00 461 332 A 20 GLU H A 19 VAL HA 1.0 . 3.50 462 333 A 22 ALA H A 21 ARG HA 1.0 . 4.50 463 334 A 23 VAL H A 22 ALA HA 1.0 . 4.00 464 335 A 25 GLY H A 24 LEU HA 1.0 . 4.50 465 336 A 29 ASP HA A 30 TYR H 1.0 . 4.00 466 337 A 30 TYR HA A 31 ASN H 1.0 . 4.00 467 338 A 32 LYS H A 31 ASN HA 1.0 . 4.00 468 339 A 23 VAL H A 20 GLU HA 1.0 . 4.50 469 340 A 24 LEU H A 21 ARG HA 1.0 . 4.00 470 341 A 19 VAL H A 16 PHE HA 1.0 . 4.50 471 342 A 18 ALA HA A 21 ARG H 1.0 . 4.00 472 343 A 25 GLY H A 22 ALA HA 1.0 . 5.00 473 344 A 23 VAL HA A 26 GLY H 1.0 . 5.00 474 345 A 16 PHE H A 13 GLY HAx 1.0 . 4.50 475 345 A 13 GLY HAy A 16 PHE H 1.0 . 4.50 476 346 A 13 GLY H A 10 TYR HA 1.0 . 5.00 477 347 A 12 ILE H A 9 GLY HAx 1.0 . 5.00 478 347 A 9 GLY HAy A 12 ILE H 1.0 . 5.00 479 348 A 16 PHE H A 12 ILE HA 1.0 . 5.00 480 349 A 18 ALA H A 14 TYR HA 1.0 . 5.00 481 350 A 17 GLY HAx A 21 ARG H 1.0 . 5.50 482 351 A 22 ALA H A 18 ALA HA 1.0 . 5.50 483 352 A 20 GLU HA A 24 LEU H 1.0 . 5.00 484 353 A 8 ILE H A 9 GLY H 1.0 . 4.50 485 354 A 25 GLY H A 26 GLY H 1.0 . 4.00 486 355 A 28 ARG H A 29 ASP H 1.0 . 4.00 487 356 A 30 TYR H A 31 ASN H 1.0 . 4.00 488 357 A 32 LYS H A 31 ASN H 1.0 . 4.00 489 358 A 9 GLY H A 11 ALA H 1.0 . 5.00 490 359 A 11 ALA H A 13 GLY H 1.0 . 5.00 491 360 A 15 ALA H A 13 GLY H 1.0 . 5.00 492 361 A 18 ALA H A 16 PHE H 1.0 . 5.00 493 362 A 20 GLU H A 18 ALA H 1.0 . 5.00 494 363 A 24 LEU H A 26 GLY H 1.0 . 5.50 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 1 ARG C A 2 ARG N A 2 ARG CA A 2 ARG C 1.0 -147.8 -44.1 PHI 2 2 A 2 ARG N A 2 ARG CA A 2 ARG C A 3 SER N 1.0 89.8 181.7 PSI 3 3 A 9 GLY C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -76.9 -51.0 PHI 4 4 A 10 TYR N A 10 TYR CA A 10 TYR C A 11 ALA N 1.0 -61.2 -13.4 PSI 5 5 A 10 TYR C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -71.4 -51.4 PHI 6 6 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 ILE N 1.0 -61.4 -13.6 PSI 7 7 A 11 ALA C A 12 ILE N A 12 ILE CA A 12 ILE C 1.0 -90.7 -41.9 PHI 8 8 A 12 ILE N A 12 ILE CA A 12 ILE C A 13 GLY N 1.0 -52.1 -32.1 PSI 9 9 A 12 ILE C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 -73.5 -49.8 PHI 10 10 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 TYR N 1.0 -54.1 -28.2 PSI 11 11 A 13 GLY C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -75.2 -55.2 PHI 12 12 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 ALA N 1.0 -52.0 -31.1 PSI 13 13 A 14 TYR C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -73.3 -53.3 PHI 14 14 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 PHE N 1.0 -60.2 -15.1 PSI 15 15 A 15 ALA C A 16 PHE N A 16 PHE CA A 16 PHE C 1.0 -86.0 -47.2 PHI 16 16 A 16 PHE N A 16 PHE CA A 16 PHE C A 17 GLY N 1.0 -70.5 -2.3 PSI 17 17 A 16 PHE C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 -74.1 -54.1 PHI 18 18 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 ALA N 1.0 -50.3 -30.3 PSI 19 19 A 17 GLY C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -75.2 -55.2 PHI 20 20 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 VAL N 1.0 -48.6 -28.6 PSI 21 21 A 18 ALA C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -89.2 -47.5 PHI 22 22 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 GLU N 1.0 -61.0 -20.9 PSI 23 23 A 19 VAL C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -75.3 -55.3 PHI 24 24 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 ARG N 1.0 -55.7 -25.4 PSI 25 25 A 20 GLU C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -77.7 -57.7 PHI 26 26 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 ALA N 1.0 -52.7 -26.6 PSI 27 27 A 21 ARG C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -75.7 -55.7 PHI 28 28 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 VAL N 1.0 -54.9 -26.7 PSI 29 29 A 22 ALA C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -87.8 -49.5 PHI 30 30 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 LEU N 1.0 -56.5 -25.4 PSI 31 31 A 23 VAL C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -88.5 -48.5 PHI 32 32 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 GLY N 1.0 -67.7 12.3 PSI stop_ save_