data_nef_c30064_5j8t save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5J8T stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 12 CYS SG 1 43 CYS SG 1 35 ASP OD1 2 1 CA CA 1 35 ASP OD2 2 1 CA CA 1 37 ASP OD1 2 1 CA CA 1 37 ASP OD2 2 1 CA CA 1 39 ASP OD1 2 1 CA CA 1 39 ASP OD2 2 1 CA CA 1 44 GLU OE1 2 1 CA CA 1 44 GLU OE2 2 1 CA CA stop_ 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 24 GLY start . false 2 A 25 ALA middle . . 3 A 26 SER middle . . 4 A 27 GLU middle . . 5 A 28 GLU middle . . 6 A 29 ASN middle . . 7 A 30 ILE middle . . 8 A 31 HIS middle . . 9 A 32 PHE middle . . 10 A 33 SER middle . . 11 A 34 SER middle . . 12 A 35 CYS middle -HG . 13 A 36 LYS middle . . 14 A 37 GLU middle . . 15 A 38 ALA middle . . 16 A 39 TRP middle . . 17 A 40 ALA middle . . 18 A 41 ASN middle . . 19 A 42 GLY middle . false 20 A 43 TYR middle . . 21 A 44 SER middle . . 22 A 45 ASP middle . . 23 A 46 ILE middle . . 24 A 47 HIS middle . . 25 A 48 GLU middle . . 26 A 49 GLY middle . false 27 A 50 GLU middle . . 28 A 51 PRO middle . false 29 A 52 GLY middle . false 30 A 53 TYR middle . . 31 A 54 SER middle . . 32 A 55 ALA middle . . 33 A 56 LYS middle . . 34 A 57 LEU middle . . 35 A 58 ASP middle . . 36 A 59 ARG middle . . 37 A 60 ASP middle . . 38 A 61 HIS middle . . 39 A 62 ASP middle . . 40 A 63 GLY middle . false 41 A 64 VAL middle . . 42 A 65 ALA middle . . 43 A 66 CYS middle -HG . 44 A 67 GLU middle . . 45 A 68 LEU middle . . 46 A 69 LYS middle . . 47 A 70 ASN end . . 48 B 1 CA . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 24 GLY HAx H 1 3.232 0.037 A 24 GLY HAy H 1 3.871 0.025 A 24 GLY CA C 13 43.289 0.059 A 25 ALA H H 1 8.600 0.009 A 25 ALA HA H 1 4.339 0.036 A 25 ALA HB% H 1 1.372 0.029 A 25 ALA C C 13 178.025 0.000 A 25 ALA CA C 13 52.861 0.084 A 25 ALA CB C 13 19.197 0.056 A 25 ALA N N 15 124.286 0.066 A 26 SER H H 1 8.416 0.020 A 26 SER HA H 1 4.374 0.031 A 26 SER HBx H 1 3.811 0.008 A 26 SER HBy H 1 3.852 0.006 A 26 SER C C 13 174.832 0.000 A 26 SER CA C 13 58.709 0.093 A 26 SER CB C 13 63.693 0.110 A 26 SER N N 15 115.189 0.054 A 27 GLU H H 1 8.366 0.012 A 27 GLU HA H 1 4.277 0.034 A 27 GLU HBx H 1 1.934 0.039 A 27 GLU HBy H 1 2.055 0.027 A 27 GLU HGx H 1 2.304 0.021 A 27 GLU HGy H 1 2.304 0.021 A 27 GLU C C 13 176.393 0.000 A 27 GLU CA C 13 56.749 0.096 A 27 GLU CB C 13 29.675 0.093 A 27 GLU CG C 13 35.425 0.090 A 27 GLU N N 15 122.385 0.038 A 28 GLU H H 1 8.206 0.012 A 28 GLU HA H 1 4.217 0.037 A 28 GLU HBx H 1 1.888 0.033 A 28 GLU HBy H 1 2.008 0.030 A 28 GLU HGx H 1 2.275 0.020 A 28 GLU HGy H 1 2.275 0.020 A 28 GLU C C 13 175.994 0.000 A 28 GLU CA C 13 56.694 0.107 A 28 GLU CB C 13 29.800 0.076 A 28 GLU CG C 13 35.246 0.106 A 28 GLU N N 15 120.797 0.009 A 29 ASN H H 1 8.263 0.006 A 29 ASN HA H 1 4.621 0.042 A 29 ASN HBx H 1 2.625 0.036 A 29 ASN HBy H 1 2.733 0.045 A 29 ASN HD2x H 1 6.831 0.006 A 29 ASN HD2y H 1 7.499 0.004 A 29 ASN C C 13 174.304 0.000 A 29 ASN CA C 13 52.974 0.036 A 29 ASN CB C 13 38.698 0.177 A 29 ASN N N 15 119.797 0.010 A 29 ASN ND2 N 15 113.001 0.002 A 30 ILE H H 1 7.650 0.010 A 30 ILE HA H 1 3.756 0.036 A 30 ILE HB H 1 1.365 0.037 A 30 ILE HD1% H 1 0.602 0.036 A 30 ILE HG12 H 1 0.753 0.037 A 30 ILE HG13 H 1 1.077 0.041 A 30 ILE HG2% H 1 0.184 0.035 A 30 ILE C C 13 173.952 0.000 A 30 ILE CA C 13 60.502 0.077 A 30 ILE CB C 13 38.426 0.113 A 30 ILE CD1 C 13 12.427 0.046 A 30 ILE CG1 C 13 26.987 0.030 A 30 ILE CG2 C 13 16.938 0.075 A 30 ILE N N 15 121.488 0.034 A 31 HIS H H 1 7.679 0.005 A 31 HIS HA H 1 4.383 0.037 A 31 HIS HBx H 1 2.827 0.034 A 31 HIS HBy H 1 2.920 0.040 A 31 HIS HD2 H 1 7.031 0.003 A 31 HIS HE1 H 1 8.445 0.002 A 31 HIS C C 13 172.297 0.000 A 31 HIS CA C 13 54.005 0.108 A 31 HIS CB C 13 30.066 0.079 A 31 HIS N N 15 122.042 0.017 A 32 PHE H H 1 8.330 0.009 A 32 PHE HA H 1 4.924 0.038 A 32 PHE HBx H 1 2.366 0.031 A 32 PHE HBy H 1 3.126 0.035 A 32 PHE HDx H 1 6.859 0.004 A 32 PHE HDy H 1 6.859 0.004 A 32 PHE HEx H 1 6.628 0.003 A 32 PHE HEy H 1 6.628 0.003 A 32 PHE HZ H 1 6.237 0.004 A 32 PHE C C 13 175.501 0.000 A 32 PHE CA C 13 55.693 0.139 A 32 PHE CB C 13 41.476 0.267 A 32 PHE N N 15 121.506 0.019 A 33 SER H H 1 9.300 0.031 A 33 SER HA H 1 4.299 0.037 A 33 SER HBx H 1 3.912 0.026 A 33 SER HBy H 1 3.912 0.026 A 33 SER C C 13 173.671 0.000 A 33 SER CA C 13 59.356 0.078 A 33 SER CB C 13 63.851 0.043 A 33 SER N N 15 117.039 0.031 A 34 SER H H 1 7.460 0.009 A 34 SER HA H 1 4.458 0.042 A 34 SER HBx H 1 3.893 0.029 A 34 SER HBy H 1 4.027 0.021 A 34 SER C C 13 174.316 0.000 A 34 SER CA C 13 56.813 0.040 A 34 SER CB C 13 65.893 0.237 A 34 SER N N 15 111.899 0.077 A 35 CYS H H 1 9.214 0.008 A 35 CYS HA H 1 4.205 0.049 A 35 CYS HBx H 1 1.066 0.026 A 35 CYS HBy H 1 2.122 0.035 A 35 CYS C C 13 174.997 0.000 A 35 CYS CA C 13 55.452 0.096 A 35 CYS CB C 13 33.316 0.071 A 35 CYS N N 15 120.136 0.149 A 36 LYS H H 1 7.893 0.006 A 36 LYS HA H 1 3.975 0.037 A 36 LYS HBx H 1 1.771 0.033 A 36 LYS HBy H 1 1.771 0.033 A 36 LYS HDx H 1 1.702 0.032 A 36 LYS HDy H 1 1.702 0.032 A 36 LYS HEx H 1 3.000 0.038 A 36 LYS HEy H 1 3.000 0.038 A 36 LYS HGx H 1 1.440 0.027 A 36 LYS HGy H 1 1.558 0.041 A 36 LYS C C 13 179.222 0.000 A 36 LYS CA C 13 60.221 0.123 A 36 LYS CB C 13 31.942 0.064 A 36 LYS CD C 13 29.122 0.129 A 36 LYS CE C 13 41.991 0.049 A 36 LYS CG C 13 25.015 0.073 A 36 LYS N N 15 120.690 0.071 A 37 GLU H H 1 7.397 0.006 A 37 GLU HA H 1 4.030 0.034 A 37 GLU HBx H 1 2.046 0.030 A 37 GLU HBy H 1 2.192 0.033 A 37 GLU HGx H 1 2.263 0.031 A 37 GLU HGy H 1 2.376 0.028 A 37 GLU C C 13 178.142 0.000 A 37 GLU CA C 13 58.824 0.118 A 37 GLU CB C 13 30.211 0.153 A 37 GLU CG C 13 36.263 0.087 A 37 GLU N N 15 119.946 0.002 A 38 ALA H H 1 7.050 0.005 A 38 ALA HA H 1 2.409 0.032 A 38 ALA HB% H 1 0.720 0.035 A 38 ALA C C 13 180.184 0.000 A 38 ALA CA C 13 55.656 0.057 A 38 ALA CB C 13 17.537 0.085 A 38 ALA N N 15 123.887 0.050 A 39 TRP H H 1 8.833 0.007 A 39 TRP HA H 1 4.712 0.039 A 39 TRP HBx H 1 3.112 0.030 A 39 TRP HBy H 1 3.283 0.033 A 39 TRP HD1 H 1 7.740 0.002 A 39 TRP HE1 H 1 9.478 0.003 A 39 TRP HE3 H 1 7.411 0.003 A 39 TRP HH2 H 1 7.120 0.006 A 39 TRP HZ2 H 1 7.192 0.008 A 39 TRP HZ3 H 1 6.986 0.002 A 39 TRP C C 13 181.428 0.000 A 39 TRP CA C 13 58.288 0.135 A 39 TRP CB C 13 28.353 0.050 A 39 TRP N N 15 119.842 0.017 A 39 TRP NE1 N 15 126.423 0.000 A 40 ALA H H 1 8.012 0.011 A 40 ALA HA H 1 4.220 0.036 A 40 ALA HB% H 1 1.557 0.037 A 40 ALA C C 13 178.541 0.000 A 40 ALA CA C 13 54.616 0.068 A 40 ALA CB C 13 18.031 0.048 A 40 ALA N N 15 122.387 0.047 A 41 ASN H H 1 7.579 0.010 A 41 ASN HA H 1 4.852 0.040 A 41 ASN HBx H 1 2.738 0.036 A 41 ASN HBy H 1 3.229 0.036 A 41 ASN HD2x H 1 7.394 0.008 A 41 ASN HD2y H 1 7.756 0.005 A 41 ASN C C 13 174.316 0.000 A 41 ASN CA C 13 53.740 0.152 A 41 ASN CB C 13 41.003 0.136 A 41 ASN N N 15 115.100 0.001 A 41 ASN ND2 N 15 115.928 0.002 A 42 GLY H H 1 7.913 0.010 A 42 GLY HAx H 1 3.714 0.038 A 42 GLY HAy H 1 4.080 0.039 A 42 GLY C C 13 174.046 0.000 A 42 GLY CA C 13 46.002 0.048 A 42 GLY N N 15 107.010 0.083 A 43 TYR H H 1 8.349 0.008 A 43 TYR HA H 1 4.677 0.022 A 43 TYR HBx H 1 2.506 0.029 A 43 TYR HBy H 1 2.506 0.029 A 43 TYR HDx H 1 7.024 0.002 A 43 TYR HDy H 1 7.024 0.002 A 43 TYR HEx H 1 6.834 0.002 A 43 TYR HEy H 1 6.834 0.002 A 43 TYR C C 13 173.706 0.000 A 43 TYR CA C 13 57.379 0.075 A 43 TYR CB C 13 40.152 0.036 A 43 TYR N N 15 122.311 0.078 A 44 SER H H 1 7.942 0.006 A 44 SER HA H 1 4.470 0.038 A 44 SER HBx H 1 3.995 0.037 A 44 SER HBy H 1 3.995 0.037 A 44 SER C C 13 171.992 0.000 A 44 SER CA C 13 57.739 0.053 A 44 SER CB C 13 65.629 0.040 A 44 SER N N 15 110.543 0.014 A 45 ASP H H 1 8.127 0.014 A 45 ASP HA H 1 3.709 0.034 A 45 ASP HBx H 1 2.654 0.012 A 45 ASP HBy H 1 2.781 0.024 A 45 ASP C C 13 174.680 0.000 A 45 ASP CA C 13 55.742 0.033 A 45 ASP CB C 13 39.194 0.090 A 45 ASP N N 15 119.298 0.006 A 46 ILE H H 1 8.377 0.008 A 46 ILE HA H 1 3.993 0.039 A 46 ILE HB H 1 1.670 0.036 A 46 ILE HD1% H 1 0.650 0.035 A 46 ILE HG1x H 1 1.090 0.036 A 46 ILE HG1y H 1 1.358 0.034 A 46 ILE HG2% H 1 0.995 0.039 A 46 ILE C C 13 177.097 0.000 A 46 ILE CA C 13 61.981 0.070 A 46 ILE CB C 13 40.542 0.079 A 46 ILE CD1 C 13 14.154 0.070 A 46 ILE CG1 C 13 26.732 0.062 A 46 ILE CG2 C 13 18.614 0.128 A 46 ILE N N 15 118.575 0.044 A 47 HIS H H 1 9.383 0.035 A 47 HIS HA H 1 4.942 0.042 A 47 HIS HBx H 1 2.977 0.037 A 47 HIS HBy H 1 3.264 0.037 A 47 HIS HD2 H 1 7.477 0.001 A 47 HIS HE1 H 1 8.602 0.003 A 47 HIS C C 13 174.375 0.000 A 47 HIS CA C 13 56.218 0.049 A 47 HIS CB C 13 29.067 0.075 A 47 HIS N N 15 128.636 0.030 A 48 GLU H H 1 7.787 0.005 A 48 GLU HA H 1 2.496 0.033 A 48 GLU HBx H 1 1.144 0.036 A 48 GLU HBy H 1 1.534 0.031 A 48 GLU HGx H 1 1.895 0.024 A 48 GLU HGy H 1 1.895 0.024 A 48 GLU C C 13 176.487 0.000 A 48 GLU CA C 13 58.066 0.100 A 48 GLU CB C 13 28.428 0.090 A 48 GLU CG C 13 34.504 0.084 A 48 GLU N N 15 122.093 0.016 A 49 GLY H H 1 8.145 0.007 A 49 GLY HAx H 1 3.605 0.038 A 49 GLY HAy H 1 4.245 0.039 A 49 GLY C C 13 174.293 0.000 A 49 GLY CA C 13 44.997 0.035 A 49 GLY N N 15 114.595 0.016 A 50 GLU H H 1 8.154 0.020 A 50 GLU HA H 1 4.781 0.032 A 50 GLU HBx H 1 2.209 0.028 A 50 GLU HBy H 1 2.465 0.041 A 50 GLU HGy H 1 2.375 0.026 A 50 GLU HGx H 1 2.324 0.064 A 50 GLU CA C 13 53.930 0.101 A 50 GLU CB C 13 28.395 0.106 A 50 GLU CG C 13 36.402 0.009 A 50 GLU N N 15 120.694 0.023 A 51 PRO HA H 1 4.283 0.035 A 51 PRO HBx H 1 1.947 0.059 A 51 PRO HBy H 1 2.355 0.032 A 51 PRO HDy H 1 3.958 0.049 A 51 PRO HDx H 1 3.786 0.037 A 51 PRO HGx H 1 2.046 0.034 A 51 PRO HGy H 1 2.243 0.040 A 51 PRO C C 13 176.170 0.000 A 51 PRO CA C 13 64.191 0.120 A 51 PRO CB C 13 32.043 0.035 A 51 PRO CD C 13 50.769 0.067 A 51 PRO CG C 13 27.892 0.029 A 52 GLY H H 1 8.484 0.010 A 52 GLY HAx H 1 3.217 0.038 A 52 GLY HAy H 1 4.077 0.038 A 52 GLY C C 13 174.692 0.000 A 52 GLY CA C 13 44.786 0.133 A 52 GLY N N 15 109.195 0.054 A 53 TYR H H 1 7.680 0.012 A 53 TYR HA H 1 3.438 0.038 A 53 TYR HBx H 1 2.940 0.035 A 53 TYR HBy H 1 3.009 0.046 A 53 TYR HDx H 1 6.942 0.002 A 53 TYR HDy H 1 6.942 0.002 A 53 TYR CA C 13 62.172 0.123 A 53 TYR CB C 13 37.987 0.032 A 53 TYR N N 15 120.719 0.078 A 54 SER H H 1 5.349 0.007 A 54 SER HA H 1 4.300 0.012 A 54 SER HBx H 1 3.347 0.004 A 54 SER HBy H 1 3.838 0.004 A 54 SER C C 13 174.140 0.000 A 54 SER CA C 13 56.419 0.044 A 54 SER CB C 13 65.311 0.027 A 54 SER N N 15 119.057 0.021 A 55 ALA H H 1 9.037 0.011 A 55 ALA HA H 1 4.030 0.039 A 55 ALA HB% H 1 1.529 0.038 A 55 ALA C C 13 180.125 0.000 A 55 ALA CA C 13 55.025 0.090 A 55 ALA CB C 13 18.121 0.160 A 55 ALA N N 15 129.807 0.029 A 56 LYS H H 1 7.841 0.012 A 56 LYS HA H 1 3.996 0.035 A 56 LYS HBx H 1 1.709 0.033 A 56 LYS HBy H 1 1.709 0.033 A 56 LYS HDx H 1 1.615 0.032 A 56 LYS HDy H 1 1.615 0.032 A 56 LYS HEx H 1 2.956 0.032 A 56 LYS HEy H 1 2.956 0.032 A 56 LYS HGx H 1 1.362 0.042 A 56 LYS HGy H 1 1.362 0.042 A 56 LYS C C 13 177.403 0.000 A 56 LYS CA C 13 58.189 0.030 A 56 LYS CB C 13 32.146 0.075 A 56 LYS CD C 13 29.032 0.077 A 56 LYS CE C 13 42.197 0.098 A 56 LYS CG C 13 24.808 0.080 A 56 LYS N N 15 115.889 0.046 A 57 LEU H H 1 6.918 0.007 A 57 LEU HA H 1 4.208 0.042 A 57 LEU HBx H 1 1.348 0.029 A 57 LEU HBy H 1 1.749 0.042 A 57 LEU HDx% H 1 0.496 0.034 A 57 LEU HDy% H 1 0.654 0.033 A 57 LEU HG H 1 1.336 0.051 A 57 LEU C C 13 175.619 0.000 A 57 LEU CA C 13 54.384 0.078 A 57 LEU CB C 13 41.347 0.068 A 57 LEU CD1 C 13 25.239 0.106 A 57 LEU CD2 C 13 21.308 0.066 A 57 LEU CG C 13 26.454 0.083 A 57 LEU N N 15 116.062 0.032 A 58 ASP H H 1 7.187 0.008 A 58 ASP HA H 1 5.194 0.060 A 58 ASP HBx H 1 2.079 0.035 A 58 ASP HBy H 1 3.088 0.041 A 58 ASP C C 13 176.264 0.000 A 58 ASP CA C 13 51.287 0.089 A 58 ASP CB C 13 40.197 0.056 A 58 ASP N N 15 121.031 0.031 A 59 ARG H H 1 7.878 0.018 A 59 ARG HA H 1 3.898 0.040 A 59 ARG HBx H 1 1.851 0.034 A 59 ARG HBy H 1 1.851 0.034 A 59 ARG HDx H 1 3.237 0.032 A 59 ARG HDy H 1 3.237 0.032 A 59 ARG HE H 1 7.177 0.003 A 59 ARG HGx H 1 1.694 0.033 A 59 ARG HGy H 1 1.694 0.033 A 59 ARG C C 13 176.605 0.000 A 59 ARG CA C 13 59.173 0.085 A 59 ARG CB C 13 29.988 0.055 A 59 ARG CD C 13 43.161 0.088 A 59 ARG CG C 13 27.204 0.127 A 59 ARG N N 15 122.200 0.001 A 60 ASP H H 1 7.997 0.004 A 60 ASP HA H 1 4.456 0.035 A 60 ASP HB2 H 1 2.497 0.031 A 60 ASP HB3 H 1 2.942 0.037 A 60 ASP C C 13 175.466 0.000 A 60 ASP CA C 13 52.081 0.105 A 60 ASP CB C 13 38.880 0.043 A 60 ASP N N 15 113.599 0.003 A 61 HIS H H 1 7.563 0.003 A 61 HIS HA H 1 4.253 0.035 A 61 HIS HBx H 1 3.322 0.032 A 61 HIS HBy H 1 3.382 0.038 A 61 HIS HD2 H 1 7.198 0.002 A 61 HIS HE1 H 1 8.498 0.002 A 61 HIS C C 13 174.152 0.000 A 61 HIS CA C 13 55.947 0.071 A 61 HIS CB C 13 26.400 0.073 A 61 HIS N N 15 115.599 0.003 A 62 ASP H H 1 8.398 0.005 A 62 ASP HA H 1 4.714 0.006 A 62 ASP HBx H 1 2.390 0.009 A 62 ASP HBy H 1 3.029 0.003 A 62 ASP C C 13 177.356 0.000 A 62 ASP CA C 13 52.986 0.026 A 62 ASP CB C 13 40.903 0.043 A 62 ASP N N 15 117.996 0.014 A 63 GLY H H 1 9.781 0.007 A 63 GLY HAx H 1 3.429 0.036 A 63 GLY HAy H 1 4.234 0.037 A 63 GLY C C 13 173.225 0.000 A 63 GLY CA C 13 45.319 0.139 A 63 GLY N N 15 111.703 0.055 A 64 VAL H H 1 7.770 0.006 A 64 VAL HA H 1 4.568 0.042 A 64 VAL HB H 1 1.870 0.036 A 64 VAL HGx% H 1 0.384 0.033 A 64 VAL HGy% H 1 0.504 0.033 A 64 VAL C C 13 174.727 0.000 A 64 VAL CA C 13 60.952 0.090 A 64 VAL CB C 13 33.100 0.131 A 64 VAL CG1 C 13 20.380 0.138 A 64 VAL CG2 C 13 21.585 0.072 A 64 VAL N N 15 120.691 0.028 A 65 ALA H H 1 10.303 0.028 A 65 ALA HA H 1 4.739 0.039 A 65 ALA HB% H 1 1.252 0.035 A 65 ALA C C 13 176.440 0.000 A 65 ALA CA C 13 50.455 0.059 A 65 ALA CB C 13 21.616 0.034 A 65 ALA N N 15 131.863 0.070 A 66 CYS H H 1 8.587 0.013 A 66 CYS HA H 1 4.737 0.034 A 66 CYS HBx H 1 2.672 0.026 A 66 CYS HBy H 1 2.983 0.024 A 66 CYS C C 13 176.875 0.000 A 66 CYS CA C 13 53.021 0.076 A 66 CYS CB C 13 31.308 0.019 A 66 CYS N N 15 115.105 0.044 A 67 GLU H H 1 9.568 0.006 A 67 GLU HA H 1 4.409 0.032 A 67 GLU HBy H 1 2.207 0.001 A 67 GLU HBx H 1 2.005 0.005 A 67 GLU HGx H 1 2.311 0.005 A 67 GLU HGy H 1 2.425 0.001 A 67 GLU C C 13 176.851 0.000 A 67 GLU CA C 13 57.511 0.045 A 67 GLU CB C 13 29.621 0.022 A 67 GLU CG C 13 36.423 0.037 A 67 GLU N N 15 124.654 0.051 A 68 LEU H H 1 8.748 0.050 A 68 LEU HA H 1 4.137 0.036 A 68 LEU HBx H 1 1.381 0.042 A 68 LEU HBy H 1 1.468 0.044 A 68 LEU HDx% H 1 0.201 0.035 A 68 LEU HDy% H 1 0.438 0.034 A 68 LEU HG H 1 1.322 0.038 A 68 LEU C C 13 177.097 0.000 A 68 LEU CA C 13 55.542 0.097 A 68 LEU CB C 13 42.955 0.090 A 68 LEU CD1 C 13 23.160 0.057 A 68 LEU CD2 C 13 24.008 0.067 A 68 LEU CG C 13 26.736 0.097 A 68 LEU N N 15 124.460 0.023 A 69 LYS H H 1 8.260 0.023 A 69 LYS HA H 1 4.285 0.036 A 69 LYS HBx H 1 1.679 0.000 A 69 LYS HBy H 1 1.815 0.024 A 69 LYS HDx H 1 1.626 0.035 A 69 LYS HDy H 1 1.626 0.035 A 69 LYS HEx H 1 2.934 0.042 A 69 LYS HEy H 1 2.934 0.042 A 69 LYS HGx H 1 1.313 0.029 A 69 LYS HGy H 1 1.313 0.029 A 69 LYS C C 13 175.161 0.000 A 69 LYS CA C 13 55.991 0.051 A 69 LYS CB C 13 33.008 0.053 A 69 LYS CD C 13 28.985 0.068 A 69 LYS CE C 13 42.021 0.038 A 69 LYS CG C 13 24.366 0.075 A 69 LYS N N 15 122.600 0.002 A 70 ASN H H 1 7.967 0.007 A 70 ASN HA H 1 4.400 0.041 A 70 ASN HBx H 1 2.586 0.030 A 70 ASN HBy H 1 2.685 0.033 A 70 ASN HD2x H 1 6.729 0.005 A 70 ASN HD2y H 1 7.436 0.007 A 70 ASN CA C 13 54.629 0.104 A 70 ASN CB C 13 40.240 0.061 A 70 ASN N N 15 125.702 0.008 A 70 ASN ND2 N 15 113.336 0.034 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 59 ARG H A 59 ARG HBx 1.0 . 3.42 2 1 A 59 ARG H A 59 ARG HBy 1.0 . 3.42 3 2 A 56 LYS H A 56 LYS HGx 1.0 . 3.95 4 2 A 56 LYS H A 56 LYS HGy 1.0 . 3.95 5 3 A 43 TYR HD% A 41 ASN HBy 1.0 . 4.22 6 4 A 43 TYR HE% A 41 ASN HBx 1.0 . 5.26 7 5 A 58 ASP H A 58 ASP HBy 1.0 . 3.78 8 6 A 27 GLU HA A 27 GLU HGx 1.0 . 3.86 9 6 A 27 GLU HA A 27 GLU HGy 1.0 . 3.86 10 7 A 27 GLU H A 27 GLU HGx 1.0 . 4.67 11 7 A 27 GLU HGy A 27 GLU H 1.0 . 4.67 12 8 A 28 GLU H A 28 GLU HGx 1.0 . 4.34 13 8 A 28 GLU H A 28 GLU HGy 1.0 . 4.34 14 9 A 30 ILE HA A 30 ILE HD1% 1.0 . 4.43 15 10 A 30 ILE H A 30 ILE HG13 1.0 . 4.28 16 11 A 30 ILE H A 30 ILE HG12 1.0 . 4.53 17 12 A 30 ILE HG12 A 30 ILE HG2% 1.0 . 3.90 18 13 A 30 ILE H A 30 ILE HG2% 1.0 . 4.38 19 14 A 32 PHE HA A 32 PHE HD% 1.0 . 3.51 20 15 A 32 PHE H A 32 PHE HBx 1.0 . 3.77 21 16 A 33 SER H A 33 SER HBx 1.0 . 3.75 22 16 A 33 SER H A 33 SER HBy 1.0 . 3.75 23 17 A 37 GLU H A 37 GLU HBx 1.0 . 3.62 24 18 A 37 GLU H A 37 GLU HBy 1.0 . 3.62 25 19 A 37 GLU H A 37 GLU HGy 1.0 . 5.27 26 20 A 41 ASN HD2x A 37 GLU HGy 1.0 . 5.50 27 21 A 38 ALA H A 38 ALA HB% 1.0 . 3.43 28 22 A 39 TRP H A 39 TRP HBy 1.0 . 3.66 29 23 A 40 ALA H A 40 ALA HB% 1.0 . 3.24 30 24 A 43 TYR H A 43 TYR HBx 1.0 . 3.60 31 24 A 43 TYR H A 43 TYR HBy 1.0 . 3.60 32 25 A 46 ILE HA A 46 ILE HD1% 1.0 . 5.21 33 26 A 56 LYS HA A 57 LEU HDy% 1.0 . 5.50 34 27 A 46 ILE HA A 46 ILE HG2% 1.0 . 3.59 35 28 A 46 ILE H A 46 ILE HB 1.0 . 3.65 36 29 A 46 ILE HD1% A 46 ILE HB 1.0 . 3.52 37 30 A 46 ILE HD1% A 46 ILE HG2% 1.0 . 3.54 38 31 A 50 GLU HA A 50 GLU HGy 1.0 . 4.07 39 32 A 50 GLU HA A 50 GLU HGx 1.0 . 4.07 40 33 A 50 GLU H A 50 GLU HGx 1.0 . 4.58 41 34 A 55 ALA H A 55 ALA HB% 1.0 . 3.26 42 35 A 57 LEU HA A 57 LEU HDx% 1.0 . 3.40 43 36 A 57 LEU H A 57 LEU HBx 1.0 . 3.18 44 37 A 57 LEU HDy% A 57 LEU HBx 1.0 . 3.46 45 38 A 57 LEU HDx% A 57 LEU HBy 1.0 . 3.60 46 39 A 58 ASP H A 58 ASP HBx 1.0 . 4.04 47 40 A 59 ARG HA A 59 ARG HGx 1.0 . 3.93 48 40 A 59 ARG HA A 59 ARG HGy 1.0 . 3.93 49 41 A 59 ARG HE A 59 ARG HBx 1.0 . 4.98 50 41 A 59 ARG HBy A 59 ARG HE 1.0 . 4.98 51 42 A 59 ARG HBx A 59 ARG HDx 1.0 . 3.93 52 42 A 59 ARG HBy A 59 ARG HDx 1.0 . 3.93 53 42 A 59 ARG HDy A 59 ARG HBx 1.0 . 3.93 54 42 A 59 ARG HBy A 59 ARG HDy 1.0 . 3.93 55 43 A 64 VAL HA A 64 VAL HGy% 1.0 . 3.81 56 44 A 64 VAL HA A 64 VAL HGx% 1.0 . 3.71 57 45 A 64 VAL H A 64 VAL HB 1.0 . 3.73 58 46 A 64 VAL HGx% A 64 VAL H 1.0 . 4.67 59 47 A 64 VAL HGy% A 64 VAL H 1.0 . 3.82 60 48 A 65 ALA H A 65 ALA HB% 1.0 . 3.62 61 49 A 65 ALA HA A 66 CYS H 1.0 . 3.05 62 50 A 67 GLU HA A 67 GLU HGx 1.0 . 4.11 63 50 A 67 GLU HA A 67 GLU HGy 1.0 . 4.11 64 51 A 68 LEU HA A 68 LEU HG 1.0 . 3.83 65 52 A 68 LEU HA A 68 LEU HDx% 1.0 . 4.34 66 53 A 68 LEU HA A 68 LEU HDy% 1.0 . 4.34 67 54 A 68 LEU H A 68 LEU HBx 1.0 . 3.94 68 55 A 68 LEU H A 68 LEU HBy 1.0 . 3.94 69 56 A 69 LYS HA A 69 LYS HDx 1.0 . 4.20 70 56 A 69 LYS HA A 69 LYS HDy 1.0 . 4.20 71 57 A 39 TRP H A 35 CYS HA 1.0 . 5.34 72 58 A 39 TRP H A 36 LYS HA 1.0 . 4.68 73 59 A 68 LEU H A 45 ASP HA 1.0 . 5.50 74 60 A 53 TYR HD% A 54 SER H 1.0 . 4.65 75 61 A 57 LEU H A 54 SER H 1.0 . 5.50 76 62 A 59 ARG H A 58 ASP HA 1.0 . 3.56 77 63 A 47 HIS HA A 47 HIS HD2 1.0 . 5.19 78 64 A 47 HIS HA A 48 GLU H 1.0 . 3.33 79 65 A 32 PHE HA A 34 SER H 1.0 . 4.97 80 66 A 53 TYR HD% A 47 HIS HA 1.0 . 5.05 81 67 A 39 TRP HH2 A 66 CYS HA 1.0 . 5.28 82 68 A 39 TRP HA A 39 TRP HD1 1.0 . 3.77 83 69 A 43 TYR HA A 44 SER H 1.0 . 3.34 84 70 A 43 TYR HD% A 43 TYR HA 1.0 . 4.34 85 71 A 64 VAL HA A 53 TYR HD% 1.0 . 4.99 86 72 A 46 ILE H A 44 SER HA 1.0 . 5.26 87 73 A 39 TRP HD1 A 44 SER HA 1.0 . 4.07 88 74 A 34 SER HA A 36 LYS H 1.0 . 5.49 89 75 A 67 GLU HA A 68 LEU H 1.0 . 3.22 90 76 A 67 GLU HA A 45 ASP H 1.0 . 3.93 91 77 A 32 PHE H A 31 HIS HA 1.0 . 3.28 92 78 A 56 LYS H A 54 SER HA 1.0 . 5.22 93 79 A 53 TYR HD% A 54 SER HA 1.0 . 4.10 94 80 A 27 GLU HA A 29 ASN H 1.0 . 5.50 95 81 A 51 PRO HA A 52 GLY H 1.0 . 3.16 96 82 A 51 PRO HA A 53 TYR H 1.0 . 4.72 97 83 A 61 HIS HA A 61 HIS HD2 1.0 . 5.50 98 84 A 40 ALA HA A 42 GLY H 1.0 . 5.12 99 85 A 38 ALA H A 35 CYS HA 1.0 . 4.28 100 86 A 68 LEU HA A 70 ASN H 1.0 . 5.50 101 87 A 68 LEU HA A 39 TRP HZ2 1.0 . 4.57 102 88 A 40 ALA H A 37 GLU HA 1.0 . 4.32 103 89 A 58 ASP H A 55 ALA HA 1.0 . 5.01 104 90 A 37 GLU HA A 41 ASN H 1.0 . 4.96 105 91 A 39 TRP HD1 A 44 SER HBx 1.0 . 3.45 106 91 A 39 TRP HD1 A 44 SER HBy 1.0 . 3.45 107 92 A 68 LEU H A 44 SER HBx 1.0 . 5.11 108 92 A 68 LEU H A 44 SER HBy 1.0 . 5.11 109 93 A 45 ASP H A 44 SER HBx 1.0 . 3.68 110 93 A 45 ASP H A 44 SER HBy 1.0 . 3.68 111 94 A 46 ILE HA A 47 HIS HD2 1.0 . 5.50 112 95 A 36 LYS HA A 39 TRP HE3 1.0 . 3.38 113 96 A 36 LYS HA A 39 TRP HZ3 1.0 . 4.59 114 97 A 59 ARG HA A 61 HIS H 1.0 . 5.50 115 98 A 27 GLU H A 26 SER HBy 1.0 . 5.50 116 99 A 30 ILE HA A 31 HIS H 1.0 . 3.15 117 100 A 64 VAL HA A 65 ALA H 1.0 . 3.30 118 101 A 32 PHE HA A 33 SER H 1.0 . 3.35 119 102 A 66 CYS HA A 39 TRP HE1 1.0 . 4.94 120 103 A 65 ALA H A 47 HIS HA 1.0 . 5.18 121 104 A 44 SER HA A 39 TRP HE1 1.0 . 4.45 122 105 A 34 SER HA A 35 CYS H 1.0 . 3.47 123 106 A 55 ALA H A 54 SER HA 1.0 . 3.28 124 107 A 39 TRP HE1 A 44 SER HBx 1.0 . 4.20 125 107 A 44 SER HBy A 39 TRP HE1 1.0 . 4.20 126 108 A 46 ILE HA A 47 HIS H 1.0 . 3.25 127 109 A 32 PHE HE% A 52 GLY HAx 1.0 . 5.50 128 110 A 32 PHE HD% A 31 HIS HA 1.0 . 5.02 129 111 A 39 TRP HE1 A 66 CYS HBx 1.0 . 4.28 130 112 A 32 PHE H A 31 HIS HBx 1.0 . 4.66 131 113 A 32 PHE H A 31 HIS HBy 1.0 . 4.66 132 114 A 39 TRP HBy A 40 ALA H 1.0 . 3.99 133 115 A 59 ARG H A 59 ARG HDx 1.0 . 5.50 134 115 A 59 ARG H A 59 ARG HDy 1.0 . 5.50 135 116 A 56 LYS H A 54 SER HBx 1.0 . 4.90 136 117 A 53 TYR H A 53 TYR HBy 1.0 . 3.68 137 118 A 34 SER H A 32 PHE HBy 1.0 . 4.01 138 119 A 39 TRP HE3 A 39 TRP HBx 1.0 . 4.21 139 120 A 39 TRP HBy A 39 TRP HE3 1.0 . 3.65 140 121 A 30 ILE H A 29 ASN HBx 1.0 . 5.37 141 122 A 30 ILE H A 29 ASN HBy 1.0 . 5.37 142 123 A 39 TRP HH2 A 66 CYS HBy 1.0 . 5.23 143 124 A 53 TYR HD% A 53 TYR HA 1.0 . 3.89 144 125 A 43 TYR HD% A 41 ASN HBx 1.0 . 4.22 145 126 A 46 ILE HB A 65 ALA H 1.0 . 4.45 146 127 A 64 VAL HB A 65 ALA H 1.0 . 4.49 147 128 A 33 SER H A 37 GLU HBy 1.0 . 5.11 148 129 A 47 HIS H A 50 GLU HGy 1.0 . 4.88 149 130 A 32 PHE HBx A 33 SER H 1.0 . 4.59 150 131 A 33 SER H A 37 GLU HBx 1.0 . 5.11 151 132 A 57 LEU HBy A 66 CYS H 1.0 . 5.44 152 133 A 52 GLY H A 51 PRO HBx 1.0 . 4.55 153 134 A 52 GLY H A 51 PRO HBy 1.0 . 4.55 154 135 A 29 ASN H A 27 GLU HGx 1.0 . 4.56 155 135 A 27 GLU HGy A 29 ASN H 1.0 . 4.56 156 136 A 29 ASN H A 28 GLU HBy 1.0 . 4.86 157 137 A 29 ASN H A 28 GLU HBx 1.0 . 4.86 158 138 A 49 GLY H A 48 GLU HGx 1.0 . 4.57 159 138 A 48 GLU HGy A 49 GLY H 1.0 . 4.57 160 139 A 44 SER H A 43 TYR HBx 1.0 . 4.21 161 139 A 43 TYR HBy A 44 SER H 1.0 . 4.21 162 140 A 53 TYR H A 48 GLU HA 1.0 . 5.50 163 141 A 41 ASN HD2y A 37 GLU HGy 1.0 . 5.50 164 142 A 41 ASN HD2y A 37 GLU HGx 1.0 . 5.50 165 143 A 41 ASN H A 38 ALA HA 1.0 . 4.59 166 144 A 45 ASP H A 67 GLU HBy 1.0 . 5.36 167 145 A 60 ASP H A 59 ARG HBx 1.0 . 4.24 168 145 A 59 ARG HBy A 60 ASP H 1.0 . 4.24 169 146 A 32 PHE HBx A 34 SER H 1.0 . 4.68 170 147 A 38 ALA H A 37 GLU HBx 1.0 . 4.46 171 148 A 38 ALA H A 37 GLU HBy 1.0 . 4.46 172 149 A 53 TYR HD% A 48 GLU HGx 1.0 . 4.79 173 149 A 53 TYR HD% A 48 GLU HGy 1.0 . 4.79 174 150 A 43 TYR HE% A 51 PRO HGx 1.0 . 5.50 175 151 A 43 TYR HE% A 51 PRO HGy 1.0 . 5.50 176 152 A 53 TYR HD% A 48 GLU HA 1.0 . 4.15 177 153 A 32 PHE HE% A 43 TYR HBx 1.0 . 4.42 178 153 A 43 TYR HBy A 32 PHE HE% 1.0 . 4.42 179 154 A 32 PHE HZ A 43 TYR HBx 1.0 . 5.03 180 154 A 43 TYR HBy A 32 PHE HZ 1.0 . 5.03 181 155 A 32 PHE HE% A 37 GLU HGx 1.0 . 5.50 182 156 A 39 TRP HZ3 A 35 CYS HBx 1.0 . 5.50 183 157 A 55 ALA HB% A 61 HIS HD2 1.0 . 5.17 184 158 A 58 ASP H A 57 LEU HBx 1.0 . 4.29 185 159 A 58 ASP H A 65 ALA HB% 1.0 . 4.87 186 160 A 39 TRP HZ2 A 35 CYS HBy 1.0 . 5.06 187 161 A 53 TYR HD% A 48 GLU HBx 1.0 . 5.21 188 162 A 39 TRP HH2 A 35 CYS HBy 1.0 . 5.42 189 163 A 39 TRP HZ3 A 35 CYS HBy 1.0 . 5.50 190 164 A 43 TYR HE% A 30 ILE HG12 1.0 . 5.26 191 165 A 30 ILE HG12 A 32 PHE HE% 1.0 . 5.37 192 166 A 43 TYR HD% A 46 ILE HG1x 1.0 . 4.42 193 167 A 32 PHE HE% A 30 ILE HB 1.0 . 5.26 194 168 A 57 LEU H A 65 ALA HB% 1.0 . 4.95 195 169 A 53 TYR HD% A 48 GLU HBy 1.0 . 5.21 196 170 A 55 ALA HB% A 57 LEU H 1.0 . 5.50 197 171 A 39 TRP HE3 A 36 LYS HGx 1.0 . 5.10 198 172 A 39 TRP HE3 A 36 LYS HGy 1.0 . 5.10 199 173 A 46 ILE HB A 53 TYR HD% 1.0 . 4.79 200 174 A 40 ALA HB% A 41 ASN H 1.0 . 4.04 201 175 A 40 ALA HB% A 41 ASN HD2y 1.0 . 4.74 202 176 A 56 LYS H A 55 ALA HB% 1.0 . 3.85 203 177 A 48 GLU H A 48 GLU HBy 1.0 . 3.76 204 178 A 45 ASP H A 46 ILE HG1y 1.0 . 4.29 205 179 A 70 ASN H A 69 LYS HGx 1.0 . 5.30 206 179 A 70 ASN H A 69 LYS HGy 1.0 . 5.30 207 180 A 69 LYS H A 68 LEU HBy 1.0 . 4.52 208 181 A 46 ILE H A 65 ALA HB% 1.0 . 4.28 209 182 A 55 ALA HB% A 61 HIS HE1 1.0 . 5.31 210 183 A 46 ILE HG2% A 50 GLU H 1.0 . 4.72 211 184 A 36 LYS H A 35 CYS HBy 1.0 . 5.50 212 185 A 44 SER H A 46 ILE HG1x 1.0 . 5.37 213 186 A 48 GLU H A 48 GLU HBx 1.0 . 3.76 214 187 A 46 ILE HG2% A 53 TYR H 1.0 . 3.87 215 188 A 30 ILE HG12 A 31 HIS H 1.0 . 4.92 216 189 A 38 ALA HB% A 43 TYR H 1.0 . 4.25 217 190 A 32 PHE H A 57 LEU HDy% 1.0 . 4.95 218 191 A 46 ILE H A 64 VAL HGx% 1.0 . 4.16 219 192 A 68 LEU H A 68 LEU HDy% 1.0 . 5.40 220 193 A 64 VAL HGx% A 45 ASP H 1.0 . 4.98 221 194 A 69 LYS H A 68 LEU HDy% 1.0 . 5.50 222 195 A 39 TRP HD1 A 68 LEU HDy% 1.0 . 5.50 223 196 A 39 TRP HD1 A 68 LEU HDx% 1.0 . 5.50 224 197 A 30 ILE HG2% A 31 HIS H 1.0 . 4.38 225 198 A 69 LYS H A 68 LEU HDx% 1.0 . 5.50 226 199 A 30 ILE HG2% A 52 GLY H 1.0 . 4.76 227 200 A 68 LEU H A 68 LEU HDx% 1.0 . 5.40 228 201 A 38 ALA HB% A 39 TRP HE1 1.0 . 5.50 229 202 A 57 LEU HDy% A 35 CYS H 1.0 . 5.50 230 203 A 64 VAL HGx% A 67 GLU H 1.0 . 5.35 231 204 A 57 LEU HDx% A 35 CYS H 1.0 . 4.25 232 205 A 39 TRP HE1 A 68 LEU HDy% 1.0 . 5.50 233 206 A 39 TRP HE1 A 68 LEU HDx% 1.0 . 5.50 234 207 A 64 VAL HGx% A 65 ALA H 1.0 . 3.90 235 208 A 38 ALA HB% A 39 TRP H 1.0 . 3.61 236 209 A 39 TRP H A 40 ALA HB% 1.0 . 5.50 237 210 A 64 VAL HGx% A 47 HIS HD2 1.0 . 4.55 238 211 A 57 LEU HDx% A 34 SER H 1.0 . 4.82 239 212 A 64 VAL HGy% A 47 HIS HD2 1.0 . 4.50 240 213 A 37 GLU H A 38 ALA HB% 1.0 . 4.15 241 214 A 57 LEU HDy% A 34 SER H 1.0 . 5.25 242 215 A 30 ILE HD1% A 31 HIS H 1.0 . 5.50 243 216 A 38 ALA HB% A 39 TRP HD1 1.0 . 4.97 244 217 A 30 ILE HG13 A 31 HIS H 1.0 . 5.50 245 218 A 39 TRP HZ2 A 68 LEU HDx% 1.0 . 5.50 246 219 A 43 TYR HE% A 30 ILE HG2% 1.0 . 4.64 247 220 A 43 TYR HD% A 30 ILE HG2% 1.0 . 5.05 248 221 A 39 TRP HZ2 A 68 LEU HDy% 1.0 . 5.50 249 222 A 64 VAL HGx% A 53 TYR HD% 1.0 . 5.50 250 223 A 32 PHE HD% A 57 LEU HDx% 1.0 . 5.50 251 224 A 43 TYR HD% A 46 ILE HD1% 1.0 . 3.91 252 225 A 57 LEU HDy% A 57 LEU H 1.0 . 4.25 253 226 A 32 PHE HD% A 57 LEU HDy% 1.0 . 3.96 254 227 A 32 PHE HD% A 38 ALA HB% 1.0 . 3.87 255 228 A 43 TYR HE% A 30 ILE HD1% 1.0 . 3.55 256 229 A 38 ALA HB% A 32 PHE HZ 1.0 . 4.84 257 230 A 30 ILE HD1% A 32 PHE HZ 1.0 . 4.66 258 231 A 30 ILE HG2% A 32 PHE HE% 1.0 . 4.03 259 232 A 30 ILE HG2% A 32 PHE HZ 1.0 . 4.25 260 233 A 38 ALA HB% A 35 CYS H 1.0 . 5.50 261 234 A 46 ILE HG2% A 47 HIS H 1.0 . 4.00 262 235 A 68 LEU HG A 39 TRP HE1 1.0 . 4.90 263 236 A 50 GLU H A 47 HIS H 1.0 . 5.48 264 237 A 34 SER H A 35 CYS H 1.0 . 4.57 265 238 A 57 LEU HDx% A 66 CYS H 1.0 . 5.50 266 239 A 64 VAL HGx% A 66 CYS H 1.0 . 5.50 267 240 A 68 LEU HG A 68 LEU H 1.0 . 4.94 268 241 A 65 ALA HB% A 66 CYS H 1.0 . 4.07 269 242 A 56 LYS H A 55 ALA H 1.0 . 4.12 270 243 A 55 ALA H A 54 SER H 1.0 . 5.50 271 244 A 39 TRP H A 40 ALA H 1.0 . 4.13 272 245 A 39 TRP H A 41 ASN H 1.0 . 5.50 273 246 A 38 ALA H A 39 TRP H 1.0 . 4.02 274 247 A 68 LEU H A 45 ASP H 1.0 . 5.03 275 248 A 68 LEU H A 69 LYS H 1.0 . 4.01 276 249 A 68 LEU H A 67 GLU H 1.0 . 5.38 277 250 A 66 CYS H A 67 GLU H 1.0 . 4.36 278 251 A 46 ILE HG2% A 52 GLY H 1.0 . 4.23 279 252 A 46 ILE HG2% A 46 ILE H 1.0 . 4.83 280 253 A 46 ILE H A 66 CYS HBx 1.0 . 5.50 281 254 A 32 PHE HD% A 32 PHE H 1.0 . 4.43 282 255 A 61 HIS H A 62 ASP H 1.0 . 4.32 283 256 A 64 VAL H A 62 ASP H 1.0 . 4.69 284 257 A 43 TYR H A 42 GLY H 1.0 . 3.82 285 258 A 46 ILE H A 45 ASP H 1.0 . 3.94 286 259 A 32 PHE H A 33 SER H 1.0 . 5.34 287 260 A 62 ASP H A 63 GLY H 1.0 . 3.68 288 261 A 70 ASN H A 69 LYS H 1.0 . 4.58 289 262 A 70 ASN H A 69 LYS HBx 1.0 . 4.34 290 262 A 70 ASN H A 69 LYS HBy 1.0 . 4.34 291 263 A 70 ASN H A 69 LYS HDx 1.0 . 4.73 292 263 A 69 LYS HDy A 70 ASN H 1.0 . 4.73 293 264 A 38 ALA H A 36 LYS H 1.0 . 4.34 294 265 A 37 GLU H A 40 ALA H 1.0 . 5.50 295 266 A 40 ALA H A 39 TRP HE3 1.0 . 5.50 296 267 A 37 GLU H A 36 LYS H 1.0 . 3.87 297 268 A 42 GLY H A 41 ASN H 1.0 . 3.71 298 269 A 39 TRP H A 39 TRP HD1 1.0 . 4.99 299 270 A 52 GLY H A 53 TYR H 1.0 . 3.92 300 271 A 32 PHE H A 31 HIS H 1.0 . 5.25 301 272 A 46 ILE HD1% A 44 SER H 1.0 . 5.25 302 273 A 48 GLU H A 48 GLU HGx 1.0 . 4.42 303 273 A 48 GLU H A 48 GLU HGy 1.0 . 4.42 304 274 A 56 LYS H A 57 LEU H 1.0 . 3.85 305 275 A 53 TYR HD% A 48 GLU H 1.0 . 4.68 306 276 A 48 GLU H A 49 GLY H 1.0 . 4.88 307 277 A 64 VAL H A 63 GLY H 1.0 . 3.65 308 278 A 36 LYS H A 35 CYS H 1.0 . 4.11 309 279 A 45 ASP H A 39 TRP HE1 1.0 . 5.37 310 280 A 39 TRP HD1 A 66 CYS HBx 1.0 . 5.50 311 281 A 32 PHE HE% A 41 ASN HD2y 1.0 . 4.96 312 282 A 41 ASN H A 41 ASN HD2y 1.0 . 4.06 313 283 A 31 HIS H A 30 ILE HB 1.0 . 4.53 314 284 A 41 ASN HD2x A 41 ASN H 1.0 . 4.06 315 285 A 40 ALA H A 41 ASN H 1.0 . 3.84 316 286 A 61 HIS H A 60 ASP H 1.0 . 4.00 317 287 A 30 ILE H A 29 ASN H 1.0 . 4.61 318 288 A 43 TYR H A 41 ASN H 1.0 . 5.50 319 289 A 47 HIS HD2 A 47 HIS H 1.0 . 4.44 320 290 A 43 TYR HD% A 46 ILE HG2% 1.0 . 4.86 321 291 A 38 ALA H A 32 PHE HBy 1.0 . 4.82 322 292 A 38 ALA H A 39 TRP HBx 1.0 . 5.36 323 293 A 39 TRP HZ2 A 44 SER HBx 1.0 . 5.37 324 293 A 39 TRP HZ2 A 44 SER HBy 1.0 . 5.37 325 294 A 58 ASP H A 56 LYS HA 1.0 . 5.50 326 295 A 43 TYR HD% A 32 PHE HZ 1.0 . 4.43 327 296 A 58 ASP H A 57 LEU H 1.0 . 3.44 328 297 A 56 LYS H A 58 ASP H 1.0 . 4.99 329 298 A 59 ARG H A 58 ASP H 1.0 . 5.45 330 299 A 43 TYR HD% A 44 SER H 1.0 . 4.79 331 300 A 38 ALA H A 40 ALA H 1.0 . 4.82 332 301 A 43 TYR HD% A 43 TYR H 1.0 . 4.02 333 302 A 37 GLU H A 39 TRP H 1.0 . 5.50 334 303 A 39 TRP H A 39 TRP HE3 1.0 . 5.50 335 304 A 33 SER H A 34 SER H 1.0 . 3.64 336 305 A 65 ALA H A 53 TYR HD% 1.0 . 4.47 337 306 A 46 ILE HG2% A 53 TYR HD% 1.0 . 3.98 338 307 A 43 TYR HD% A 38 ALA HA 1.0 . 4.85 339 308 A 43 TYR HD% A 32 PHE HE% 1.0 . 4.67 340 309 A 41 ASN HD2x A 32 PHE HE% 1.0 . 4.96 341 310 A 53 TYR HD% A 53 TYR H 1.0 . 5.00 342 311 A 31 HIS H A 31 HIS HD2 1.0 . 5.50 343 312 A 53 TYR HD% A 49 GLY H 1.0 . 4.86 344 313 A 32 PHE HD% A 33 SER H 1.0 . 4.90 345 314 A 46 ILE HD1% A 54 SER H 1.0 . 5.50 346 315 A 54 SER H A 56 LYS HGx 1.0 . 5.50 347 315 A 56 LYS HGy A 54 SER H 1.0 . 5.50 348 316 A 57 LEU HBx A 54 SER H 1.0 . 5.50 349 317 A 43 TYR HE% A 32 PHE HZ 1.0 . 4.54 350 318 A 46 ILE H A 65 ALA H 1.0 . 4.44 351 319 A 37 GLU H A 38 ALA H 1.0 . 3.82 352 320 A 32 PHE H A 32 PHE HBy 1.0 . 4.00 353 321 A 67 GLU HBy A 69 LYS H 1.0 . 3.87 354 322 A 69 LYS H A 69 LYS HDx 1.0 . 4.02 355 322 A 69 LYS HDy A 69 LYS H 1.0 . 4.02 356 323 A 28 GLU H A 27 GLU HGx 1.0 . 4.64 357 323 A 27 GLU HGy A 28 GLU H 1.0 . 4.64 358 324 A 49 GLY H A 53 TYR HBx 1.0 . 4.62 359 325 A 49 GLY H A 48 GLU HA 1.0 . 3.22 360 326 A 49 GLY H A 53 TYR HBy 1.0 . 4.62 361 327 A 50 GLU H A 50 GLU HGy 1.0 . 4.58 362 328 A 45 ASP H A 66 CYS HBx 1.0 . 5.02 363 329 A 40 ALA H A 39 TRP HBx 1.0 . 4.24 364 330 A 60 ASP H A 59 ARG HGx 1.0 . 3.54 365 330 A 59 ARG HGy A 60 ASP H 1.0 . 3.54 366 331 A 36 LYS H A 35 CYS HBx 1.0 . 4.46 367 332 A 36 LYS H A 36 LYS HBx 1.0 . 3.83 368 332 A 36 LYS H A 36 LYS HBy 1.0 . 3.83 369 333 A 56 LYS H A 56 LYS HBx 1.0 . 3.46 370 333 A 56 LYS H A 56 LYS HBy 1.0 . 3.46 371 334 A 59 ARG H A 59 ARG HGx 1.0 . 3.73 372 334 A 59 ARG H A 59 ARG HGy 1.0 . 3.73 373 335 A 39 TRP HD1 A 66 CYS HBy 1.0 . 4.50 374 336 A 53 TYR H A 53 TYR HBx 1.0 . 3.68 375 337 A 37 GLU H A 36 LYS HDx 1.0 . 5.50 376 337 A 37 GLU H A 36 LYS HDy 1.0 . 5.50 377 338 A 39 TRP HE3 A 36 LYS HDx 1.0 . 5.50 378 338 A 39 TRP HE3 A 36 LYS HDy 1.0 . 5.50 379 339 A 37 GLU H A 37 GLU HGx 1.0 . 5.27 380 340 A 41 ASN HD2x A 37 GLU HGx 1.0 . 5.50 381 341 A 37 GLU H A 36 LYS HBx 1.0 . 4.50 382 341 A 37 GLU H A 36 LYS HBy 1.0 . 4.50 383 342 A 39 TRP HZ2 A 66 CYS HBy 1.0 . 3.97 384 343 A 57 LEU H A 56 LYS HBx 1.0 . 4.06 385 343 A 57 LEU H A 56 LYS HBy 1.0 . 4.06 386 344 A 43 TYR HE% A 41 ASN HBy 1.0 . 5.26 387 345 A 32 PHE HE% A 38 ALA HA 1.0 . 4.57 388 346 A 32 PHE HE% A 37 GLU HGy 1.0 . 5.50 389 347 A 44 SER H A 44 SER HBx 1.0 . 3.67 390 347 A 44 SER H A 44 SER HBy 1.0 . 3.67 391 348 A 56 LYS H A 54 SER HBy 1.0 . 4.90 392 349 A 34 SER H A 33 SER HBx 1.0 . 3.20 393 349 A 33 SER HBy A 34 SER H 1.0 . 3.20 394 350 A 67 GLU H A 67 GLU HGx 1.0 . 4.51 395 350 A 67 GLU HGy A 67 GLU H 1.0 . 4.51 396 351 A 67 GLU H A 67 GLU HBx 1.0 . 3.92 397 352 A 67 GLU HBy A 67 GLU H 1.0 . 3.66 398 353 A 39 TRP HE1 A 66 CYS HBy 1.0 . 3.71 399 354 A 47 HIS H A 50 GLU HGx 1.0 . 4.88 400 355 A 33 SER H A 32 PHE HBy 1.0 . 4.08 401 356 A 35 CYS H A 35 CYS HBx 1.0 . 3.69 402 357 A 39 TRP H A 39 TRP HBx 1.0 . 3.96 403 358 A 68 LEU H A 67 GLU HBx 1.0 . 5.13 404 359 A 68 LEU H A 67 GLU HBy 1.0 . 4.03 405 360 A 68 LEU H A 69 LYS HGx 1.0 . 5.50 406 360 A 68 LEU H A 69 LYS HGy 1.0 . 5.50 407 361 A 25 ALA H A 25 ALA HB% 1.0 . 3.95 408 362 A 64 VAL HGy% A 65 ALA H 1.0 . 5.05 409 363 A 69 LYS H A 68 LEU HBx 1.0 . 4.52 410 364 A 69 LYS H A 69 LYS HGx 1.0 . 4.18 411 364 A 69 LYS HGy A 69 LYS H 1.0 . 4.18 412 365 A 46 ILE HD1% A 53 TYR H 1.0 . 5.31 413 366 A 30 ILE H A 30 ILE HB 1.0 . 3.75 414 367 A 30 ILE HD1% A 30 ILE H 1.0 . 4.81 415 368 A 41 ASN HD2x A 40 ALA HB% 1.0 . 4.74 416 369 A 52 GLY H A 30 ILE HB 1.0 . 5.50 417 370 A 57 LEU HBx A 52 GLY H 1.0 . 5.50 418 371 A 25 ALA HB% A 26 SER H 1.0 . 5.04 419 372 A 46 ILE H A 46 ILE HG1y 1.0 . 3.52 420 373 A 46 ILE HD1% A 46 ILE H 1.0 . 4.63 421 374 A 65 ALA HB% A 53 TYR HD% 1.0 . 4.13 422 375 A 57 LEU HDx% A 57 LEU H 1.0 . 4.81 423 376 A 30 ILE HG2% A 32 PHE HD% 1.0 . 4.75 424 377 A 38 ALA HB% A 32 PHE HE% 1.0 . 4.88 425 378 A 46 ILE HD1% A 32 PHE HE% 1.0 . 4.39 426 379 A 30 ILE HD1% A 32 PHE HE% 1.0 . 3.74 427 380 A 57 LEU H A 55 ALA HA 1.0 . 5.05 428 381 A 57 LEU HDy% A 54 SER H 1.0 . 4.82 429 382 A 65 ALA HB% A 54 SER H 1.0 . 4.84 430 383 A 54 SER H A 57 LEU HG 1.0 . 5.50 431 384 A 65 ALA HB% A 58 ASP HA 1.0 . 4.94 432 385 A 32 PHE HA A 57 LEU HDx% 1.0 . 5.09 433 386 A 64 VAL HGx% A 47 HIS HA 1.0 . 5.50 434 387 A 64 VAL HGy% A 47 HIS HA 1.0 . 5.23 435 388 A 58 ASP HBx A 65 ALA HA 1.0 . 4.40 436 389 A 64 VAL HGx% A 65 ALA HA 1.0 . 5.48 437 390 A 38 ALA HB% A 43 TYR HA 1.0 . 4.90 438 391 A 64 VAL HA A 65 ALA HB% 1.0 . 5.20 439 392 A 57 LEU HDx% A 34 SER HA 1.0 . 3.68 440 393 A 67 GLU HA A 45 ASP HA 1.0 . 3.99 441 394 A 38 ALA HB% A 35 CYS HA 1.0 . 3.64 442 395 A 69 LYS HA A 69 LYS HGx 1.0 . 3.78 443 395 A 69 LYS HA A 69 LYS HGy 1.0 . 3.78 444 396 A 30 ILE HG2% A 52 GLY HAx 1.0 . 5.10 445 397 A 44 SER HBy A 68 LEU HDx% 1.0 . 4.54 446 397 A 44 SER HBx A 68 LEU HDx% 1.0 . 4.54 447 398 A 38 ALA HB% A 37 GLU HA 1.0 . 5.15 448 399 A 56 LYS HGy A 54 SER HBy 1.0 . 4.06 449 399 A 54 SER HBy A 56 LYS HGx 1.0 . 4.06 450 400 A 57 LEU HDy% A 54 SER HBy 1.0 . 5.21 451 401 A 46 ILE HA A 46 ILE HG1y 1.0 . 3.90 452 402 A 46 ILE HA A 46 ILE HG1x 1.0 . 3.85 453 403 A 45 ASP HA A 67 GLU HBx 1.0 . 4.65 454 404 A 30 ILE HA A 31 HIS HA 1.0 . 4.44 455 405 A 44 SER HBy A 68 LEU HDy% 1.0 . 4.54 456 405 A 68 LEU HDy% A 44 SER HBx 1.0 . 4.54 457 406 A 30 ILE HA A 30 ILE HG2% 1.0 . 4.01 458 407 A 64 VAL HGx% A 45 ASP HA 1.0 . 3.37 459 408 A 65 ALA HB% A 53 TYR HA 1.0 . 4.18 460 409 A 46 ILE HD1% A 53 TYR HA 1.0 . 4.11 461 410 A 57 LEU HDy% A 54 SER HBx 1.0 . 5.21 462 411 A 30 ILE HG2% A 52 GLY HAy 1.0 . 5.10 463 412 A 38 ALA HB% A 32 PHE HBy 1.0 . 4.62 464 413 A 38 ALA HB% A 39 TRP HBx 1.0 . 5.22 465 414 A 58 ASP HBy A 65 ALA HB% 1.0 . 4.70 466 415 A 66 CYS HBy A 35 CYS HBy 1.0 . 4.24 467 416 A 58 ASP HBy A 55 ALA HB% 1.0 . 5.50 468 417 A 38 ALA HB% A 43 TYR HBx 1.0 . 3.72 469 417 A 38 ALA HB% A 43 TYR HBy 1.0 . 3.72 470 418 A 38 ALA HB% A 66 CYS HBx 1.0 . 5.11 471 419 A 46 ILE HG2% A 50 GLU HBx 1.0 . 4.21 472 420 A 48 GLU HA A 48 GLU HGx 1.0 . 3.72 473 420 A 48 GLU HGy A 48 GLU HA 1.0 . 3.72 474 421 A 56 LYS HGy A 54 SER HBx 1.0 . 4.06 475 421 A 54 SER HBx A 56 LYS HGx 1.0 . 4.06 476 422 A 46 ILE HB A 53 TYR HA 1.0 . 4.43 477 423 A 46 ILE HG2% A 53 TYR HA 1.0 . 3.83 478 424 A 57 LEU HDy% A 32 PHE HBy 1.0 . 3.85 479 425 A 46 ILE HG2% A 53 TYR HBy 1.0 . 4.03 480 426 A 46 ILE HG2% A 53 TYR HBx 1.0 . 4.03 481 427 A 56 LYS HEy A 56 LYS HGx 1.0 . 3.71 482 427 A 56 LYS HEx A 56 LYS HGx 1.0 . 3.71 483 427 A 56 LYS HGy A 56 LYS HEx 1.0 . 3.71 484 427 A 56 LYS HGy A 56 LYS HEy 1.0 . 3.71 485 428 A 40 ALA HB% A 39 TRP HBx 1.0 . 4.42 486 429 A 65 ALA HB% A 66 CYS HBy 1.0 . 5.15 487 430 A 57 LEU HDx% A 32 PHE HBy 1.0 . 5.45 488 431 A 46 ILE HD1% A 43 TYR HBx 1.0 . 3.46 489 431 A 43 TYR HBy A 46 ILE HD1% 1.0 . 3.46 490 432 A 46 ILE HG1x A 43 TYR HBx 1.0 . 4.08 491 432 A 43 TYR HBy A 46 ILE HG1x 1.0 . 4.08 492 433 A 46 ILE HG2% A 50 GLU HBy 1.0 . 4.21 493 434 A 32 PHE HBx A 57 LEU HDy% 1.0 . 3.66 494 435 A 32 PHE HBx A 57 LEU HDx% 1.0 . 3.63 495 436 A 30 ILE HG2% A 51 PRO HBy 1.0 . 4.60 496 437 A 30 ILE HD1% A 51 PRO HBy 1.0 . 4.83 497 438 A 58 ASP HBx A 65 ALA HB% 1.0 . 3.78 498 439 A 57 LEU HDy% A 57 LEU HBy 1.0 . 3.61 499 440 A 30 ILE HG2% A 51 PRO HBx 1.0 . 4.60 500 441 A 46 ILE HB A 65 ALA HB% 1.0 . 3.96 501 442 A 30 ILE HD1% A 30 ILE HG2% 1.0 . 3.79 502 443 A 30 ILE HG13 A 30 ILE HG2% 1.0 . 4.21 503 444 A 57 LEU HDx% A 57 LEU HBx 1.0 . 3.33 504 445 A 46 ILE HD1% A 65 ALA HB% 1.0 . 3.73 505 446 A 57 LEU HDx% A 65 ALA HB% 1.0 . 5.06 506 447 A 64 VAL HGx% A 65 ALA HB% 1.0 . 5.41 507 448 A 64 VAL HGx% A 67 GLU HBy 1.0 . 4.34 508 449 A 30 ILE HD1% A 51 PRO HBx 1.0 . 4.83 509 450 A 30 ILE HD1% A 51 PRO HGx 1.0 . 5.08 510 451 A 64 VAL HGy% A 45 ASP HA 1.0 . 5.20 511 452 A 57 LEU HDx% A 33 SER HA 1.0 . 5.21 512 453 A 30 ILE HD1% A 51 PRO HA 1.0 . 4.29 513 454 A 64 VAL HGx% A 47 HIS H 1.0 . 5.50 514 455 A 38 ALA HB% A 35 CYS HBy 1.0 . 4.23 515 456 A 46 ILE HG2% A 54 SER H 1.0 . 4.63 516 457 A 65 ALA HB% A 66 CYS HBx 1.0 . 5.25 517 458 A 27 GLU H A 26 SER HBx 1.0 . 5.50 518 459 A 32 PHE HE% A 52 GLY HAy 1.0 . 5.50 519 460 A 38 ALA HA A 32 PHE HZ 1.0 . 5.50 520 461 A 39 TRP HBy A 36 LYS HA 1.0 . 5.02 521 462 A 36 LYS HA A 39 TRP HBx 1.0 . 5.41 522 463 A 58 ASP HBy A 55 ALA HA 1.0 . 4.16 523 464 A 46 ILE H A 46 ILE HG1x 1.0 . 4.57 524 465 A 57 LEU HDy% A 57 LEU HA 1.0 . 4.58 525 466 A 58 ASP H A 57 LEU HBy 1.0 . 5.50 526 467 A 59 ARG H A 60 ASP H 1.0 . 4.02 527 468 A 68 LEU HG A 44 SER HBx 1.0 . 5.38 528 468 A 68 LEU HG A 44 SER HBy 1.0 . 5.38 529 469 A 57 LEU HDy% A 32 PHE HE% 1.0 . 5.50 530 470 A 55 ALA H A 53 TYR HD% 1.0 . 5.50 531 471 A 68 LEU H A 39 TRP HZ2 1.0 . 5.50 532 472 A 64 VAL HGy% A 65 ALA HA 1.0 . 5.50 533 473 A 46 ILE HD1% A 44 SER HA 1.0 . 5.50 534 474 A 46 ILE HA A 64 VAL HGx% 1.0 . 5.50 535 475 A 38 ALA HB% A 66 CYS HBy 1.0 . 5.50 536 476 A 46 ILE HD1% A 66 CYS HBx 1.0 . 5.25 537 477 A 64 VAL HGx% A 67 GLU HBx 1.0 . 4.84 538 478 A 57 LEU HDx% A 56 LYS HBx 1.0 . 5.24 539 478 A 57 LEU HDx% A 56 LYS HBy 1.0 . 5.24 540 479 A 28 GLU H A 28 GLU HBy 1.0 . 3.52 541 479 A 28 GLU H A 28 GLU HBx 1.0 . 3.52 542 480 A 29 ASN H A 28 GLU HBy 1.0 . 4.27 543 480 A 29 ASN H A 28 GLU HBx 1.0 . 4.27 544 481 A 29 ASN H A 29 ASN HBx 1.0 . 3.63 545 481 A 29 ASN H A 29 ASN HBy 1.0 . 3.63 546 482 A 29 ASN H A 29 ASN HD2y 1.0 . 5.25 547 482 A 29 ASN H A 29 ASN HD2x 1.0 . 5.25 548 483 A 30 ILE H A 51 PRO HBy 1.0 . 5.34 549 483 A 30 ILE H A 51 PRO HBx 1.0 . 5.34 550 484 A 30 ILE HB A 51 PRO HBy 1.0 . 4.50 551 484 A 30 ILE HB A 51 PRO HBx 1.0 . 4.50 552 485 A 30 ILE HG2% A 52 GLY HAy 1.0 . 4.46 553 485 A 30 ILE HG2% A 52 GLY HAx 1.0 . 4.46 554 486 A 30 ILE HD1% A 51 PRO HBy 1.0 . 4.22 555 486 A 30 ILE HD1% A 51 PRO HBx 1.0 . 4.22 556 487 A 31 HIS HA A 31 HIS HBx 1.0 . 2.59 557 487 A 31 HIS HA A 31 HIS HBy 1.0 . 2.59 558 488 A 32 PHE H A 31 HIS HBx 1.0 . 4.09 559 488 A 32 PHE H A 31 HIS HBy 1.0 . 4.09 560 489 A 32 PHE HD% A 37 GLU HBy 1.0 . 3.95 561 489 A 32 PHE HD% A 37 GLU HBx 1.0 . 3.95 562 490 A 32 PHE HD% A 37 GLU HGy 1.0 . 3.83 563 490 A 32 PHE HD% A 37 GLU HGx 1.0 . 3.83 564 491 A 32 PHE HD% A 41 ASN HD2x 1.0 . 5.34 565 491 A 32 PHE HD% A 41 ASN HD2y 1.0 . 5.34 566 492 A 32 PHE HD% A 52 GLY HAy 1.0 . 4.14 567 492 A 32 PHE HD% A 52 GLY HAx 1.0 . 4.14 568 493 A 32 PHE HE% A 41 ASN HBx 1.0 . 4.50 569 493 A 32 PHE HE% A 41 ASN HBy 1.0 . 4.50 570 494 A 41 ASN HD2x A 32 PHE HE% 1.0 . 4.24 571 494 A 32 PHE HE% A 41 ASN HD2y 1.0 . 4.24 572 495 A 32 PHE HE% A 52 GLY HAy 1.0 . 4.82 573 495 A 32 PHE HE% A 52 GLY HAx 1.0 . 4.82 574 496 A 32 PHE HZ A 41 ASN HBx 1.0 . 4.57 575 496 A 32 PHE HZ A 41 ASN HBy 1.0 . 4.57 576 497 A 33 SER H A 37 GLU HBy 1.0 . 4.47 577 497 A 33 SER H A 37 GLU HBx 1.0 . 4.47 578 498 A 34 SER H A 34 SER HBx 1.0 . 3.61 579 498 A 34 SER H A 34 SER HBy 1.0 . 3.61 580 499 A 34 SER H A 37 GLU HBy 1.0 . 4.17 581 499 A 34 SER H A 37 GLU HBx 1.0 . 4.17 582 500 A 35 CYS H A 34 SER HBx 1.0 . 3.71 583 500 A 35 CYS H A 34 SER HBy 1.0 . 3.71 584 501 A 36 LYS H A 34 SER HBx 1.0 . 4.79 585 501 A 36 LYS H A 34 SER HBy 1.0 . 4.79 586 502 A 57 LEU HDx% A 34 SER HBx 1.0 . 5.34 587 502 A 57 LEU HDx% A 34 SER HBy 1.0 . 5.34 588 503 A 36 LYS H A 36 LYS HGy 1.0 . 3.89 589 503 A 36 LYS H A 36 LYS HGx 1.0 . 3.89 590 504 A 36 LYS H A 37 GLU HBy 1.0 . 5.21 591 504 A 36 LYS H A 37 GLU HBx 1.0 . 5.21 592 505 A 36 LYS HA A 36 LYS HGy 1.0 . 3.47 593 505 A 36 LYS HA A 36 LYS HGx 1.0 . 3.47 594 506 A 39 TRP HE3 A 36 LYS HGy 1.0 . 4.43 595 506 A 39 TRP HE3 A 36 LYS HGx 1.0 . 4.43 596 507 A 39 TRP HZ3 A 36 LYS HGy 1.0 . 4.82 597 507 A 39 TRP HZ3 A 36 LYS HGx 1.0 . 4.82 598 508 A 37 GLU H A 37 GLU HGy 1.0 . 4.60 599 508 A 37 GLU H A 37 GLU HGx 1.0 . 4.60 600 509 A 37 GLU HA A 37 GLU HGy 1.0 . 3.72 601 509 A 37 GLU HA A 37 GLU HGx 1.0 . 3.72 602 510 A 38 ALA H A 37 GLU HBy 1.0 . 3.77 603 510 A 38 ALA H A 37 GLU HBx 1.0 . 3.77 604 511 A 41 ASN HD2x A 37 GLU HGy 1.0 . 3.94 605 511 A 41 ASN HD2x A 37 GLU HGx 1.0 . 3.94 606 511 A 41 ASN HD2y A 37 GLU HGx 1.0 . 3.94 607 511 A 41 ASN HD2y A 37 GLU HGy 1.0 . 3.94 608 512 A 38 ALA HA A 41 ASN HBx 1.0 . 4.49 609 512 A 38 ALA HA A 41 ASN HBy 1.0 . 4.49 610 513 A 41 ASN HD2x A 38 ALA HA 1.0 . 5.34 611 513 A 41 ASN HD2y A 38 ALA HA 1.0 . 5.34 612 514 A 41 ASN HD2x A 38 ALA HB% 1.0 . 5.34 613 514 A 38 ALA HB% A 41 ASN HD2y 1.0 . 5.34 614 515 A 39 TRP HD1 A 68 LEU HDx% 1.0 . 4.67 615 515 A 39 TRP HD1 A 68 LEU HDy% 1.0 . 4.67 616 516 A 39 TRP HE1 A 68 LEU HBy 1.0 . 5.26 617 516 A 39 TRP HE1 A 68 LEU HBx 1.0 . 5.26 618 517 A 39 TRP HE1 A 68 LEU HDx% 1.0 . 4.52 619 517 A 39 TRP HE1 A 68 LEU HDy% 1.0 . 4.52 620 518 A 39 TRP HZ2 A 68 LEU HDx% 1.0 . 4.49 621 518 A 39 TRP HZ2 A 68 LEU HDy% 1.0 . 4.49 622 519 A 39 TRP HH2 A 68 LEU HDx% 1.0 . 5.44 623 519 A 39 TRP HH2 A 68 LEU HDy% 1.0 . 5.44 624 520 A 40 ALA HB% A 41 ASN HD2y 1.0 . 4.05 625 520 A 41 ASN HD2x A 40 ALA HB% 1.0 . 4.05 626 521 A 41 ASN H A 41 ASN HBx 1.0 . 3.37 627 521 A 41 ASN H A 41 ASN HBy 1.0 . 3.37 628 522 A 41 ASN HD2x A 41 ASN H 1.0 . 3.50 629 522 A 41 ASN H A 41 ASN HD2y 1.0 . 3.50 630 523 A 41 ASN HD2x A 41 ASN HBy 1.0 . 3.19 631 523 A 41 ASN HD2y A 41 ASN HBy 1.0 . 3.19 632 523 A 41 ASN HD2y A 41 ASN HBx 1.0 . 3.19 633 523 A 41 ASN HD2x A 41 ASN HBx 1.0 . 3.19 634 524 A 43 TYR H A 41 ASN HBx 1.0 . 5.34 635 524 A 43 TYR H A 41 ASN HBy 1.0 . 5.34 636 525 A 43 TYR HE% A 41 ASN HBx 1.0 . 4.57 637 525 A 43 TYR HE% A 41 ASN HBy 1.0 . 4.57 638 526 A 43 TYR HD% A 42 GLY HAx 1.0 . 4.91 639 526 A 43 TYR HD% A 42 GLY HAy 1.0 . 4.91 640 527 A 43 TYR HD% A 52 GLY HAy 1.0 . 5.34 641 527 A 43 TYR HD% A 52 GLY HAx 1.0 . 5.34 642 528 A 43 TYR HE% A 51 PRO HBy 1.0 . 4.05 643 528 A 43 TYR HE% A 51 PRO HBx 1.0 . 4.05 644 529 A 44 SER HBy A 68 LEU HBy 1.0 . 4.35 645 529 A 44 SER HBx A 68 LEU HBy 1.0 . 4.35 646 529 A 68 LEU HBx A 44 SER HBx 1.0 . 4.35 647 529 A 44 SER HBy A 68 LEU HBx 1.0 . 4.35 648 530 A 44 SER HBy A 68 LEU HDx% 1.0 . 3.46 649 530 A 68 LEU HDy% A 44 SER HBx 1.0 . 3.46 650 530 A 44 SER HBy A 68 LEU HDy% 1.0 . 3.46 651 530 A 44 SER HBx A 68 LEU HDx% 1.0 . 3.46 652 531 A 45 ASP H A 45 ASP HBx 1.0 . 3.49 653 531 A 45 ASP H A 45 ASP HBy 1.0 . 3.49 654 532 A 64 VAL HGx% A 45 ASP HBx 1.0 . 4.37 655 532 A 64 VAL HGx% A 45 ASP HBy 1.0 . 4.37 656 533 A 46 ILE HB A 52 GLY HAy 1.0 . 5.34 657 533 A 46 ILE HB A 52 GLY HAx 1.0 . 5.34 658 534 A 46 ILE HG2% A 50 GLU HBy 1.0 . 3.47 659 534 A 46 ILE HG2% A 50 GLU HBx 1.0 . 3.47 660 535 A 46 ILE HG2% A 50 GLU HGx 1.0 . 3.52 661 535 A 46 ILE HG2% A 50 GLU HGy 1.0 . 3.52 662 536 A 46 ILE HG2% A 51 PRO HBy 1.0 . 5.27 663 536 A 46 ILE HG2% A 51 PRO HBx 1.0 . 5.27 664 537 A 46 ILE HG2% A 52 GLY HAy 1.0 . 4.42 665 537 A 46 ILE HG2% A 52 GLY HAx 1.0 . 4.42 666 538 A 46 ILE HG2% A 53 TYR HBy 1.0 . 3.37 667 538 A 46 ILE HG2% A 53 TYR HBx 1.0 . 3.37 668 539 A 46 ILE HD1% A 52 GLY HAy 1.0 . 4.65 669 539 A 46 ILE HD1% A 52 GLY HAx 1.0 . 4.65 670 540 A 46 ILE HD1% A 53 TYR HBy 1.0 . 5.08 671 540 A 46 ILE HD1% A 53 TYR HBx 1.0 . 5.08 672 541 A 47 HIS H A 47 HIS HBx 1.0 . 3.38 673 541 A 47 HIS H A 47 HIS HBy 1.0 . 3.38 674 542 A 47 HIS H A 50 GLU HBy 1.0 . 3.96 675 542 A 47 HIS H A 50 GLU HBx 1.0 . 3.96 676 543 A 48 GLU H A 47 HIS HBx 1.0 . 3.95 677 543 A 48 GLU H A 47 HIS HBy 1.0 . 3.95 678 544 A 48 GLU H A 48 GLU HBy 1.0 . 3.28 679 544 A 48 GLU H A 48 GLU HBx 1.0 . 3.28 680 545 A 48 GLU H A 53 TYR HBy 1.0 . 5.34 681 545 A 48 GLU H A 53 TYR HBx 1.0 . 5.34 682 546 A 53 TYR HD% A 48 GLU HBy 1.0 . 4.36 683 546 A 53 TYR HD% A 48 GLU HBx 1.0 . 4.36 684 547 A 49 GLY H A 53 TYR HBy 1.0 . 4.03 685 547 A 49 GLY H A 53 TYR HBx 1.0 . 4.03 686 548 A 50 GLU H A 50 GLU HBy 1.0 . 3.68 687 548 A 50 GLU H A 50 GLU HBx 1.0 . 3.68 688 549 A 50 GLU H A 50 GLU HGx 1.0 . 3.84 689 549 A 50 GLU H A 50 GLU HGy 1.0 . 3.84 690 550 A 50 GLU H A 53 TYR HBy 1.0 . 3.72 691 550 A 50 GLU H A 53 TYR HBx 1.0 . 3.72 692 551 A 50 GLU HA A 50 GLU HGx 1.0 . 3.54 693 551 A 50 GLU HA A 50 GLU HGy 1.0 . 3.54 694 552 A 52 GLY H A 51 PRO HBy 1.0 . 3.97 695 552 A 52 GLY H A 51 PRO HBx 1.0 . 3.97 696 553 A 53 TYR H A 51 PRO HBy 1.0 . 5.34 697 553 A 53 TYR H A 51 PRO HBx 1.0 . 5.34 698 554 A 57 LEU HDy% A 52 GLY HAy 1.0 . 5.02 699 554 A 57 LEU HDy% A 52 GLY HAx 1.0 . 5.02 700 555 A 53 TYR H A 53 TYR HBy 1.0 . 3.19 701 555 A 53 TYR H A 53 TYR HBx 1.0 . 3.19 702 556 A 55 ALA H A 54 SER HBy 1.0 . 4.40 703 556 A 55 ALA H A 54 SER HBx 1.0 . 4.40 704 557 A 56 LYS H A 54 SER HBy 1.0 . 4.29 705 557 A 56 LYS H A 54 SER HBx 1.0 . 4.29 706 558 A 54 SER HBy A 56 LYS HBx 1.0 . 4.39 707 558 A 54 SER HBx A 56 LYS HBx 1.0 . 4.39 708 558 A 56 LYS HBy A 54 SER HBy 1.0 . 4.39 709 558 A 56 LYS HBy A 54 SER HBx 1.0 . 4.39 710 559 A 54 SER HBy A 56 LYS HGx 1.0 . 3.44 711 559 A 54 SER HBx A 56 LYS HGx 1.0 . 3.44 712 559 A 56 LYS HGy A 54 SER HBy 1.0 . 3.44 713 559 A 56 LYS HGy A 54 SER HBx 1.0 . 3.44 714 560 A 57 LEU H A 54 SER HBy 1.0 . 4.49 715 560 A 57 LEU H A 54 SER HBx 1.0 . 4.49 716 561 A 68 LEU H A 68 LEU HBy 1.0 . 3.45 717 561 A 68 LEU H A 68 LEU HBx 1.0 . 3.45 718 562 A 68 LEU H A 68 LEU HDx% 1.0 . 4.76 719 562 A 68 LEU H A 68 LEU HDy% 1.0 . 4.76 720 563 A 68 LEU HA A 68 LEU HDx% 1.0 . 3.62 721 563 A 68 LEU HA A 68 LEU HDy% 1.0 . 3.62 722 564 A 69 LYS H A 68 LEU HDx% 1.0 . 4.69 723 564 A 69 LYS H A 68 LEU HDy% 1.0 . 4.69 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 undefined _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 35 CYS SG A 66 CYS SG 1.0 . 2.10 2 2 A 35 CYS SG A 66 CYS CB 1.0 . 3.10 3 3 A 66 CYS SG A 35 CYS CB 1.0 . 3.10 4 4 A 58 ASP OD1 B 1 CA CA 1.0 . 3.00 5 5 B 1 CA CA A 60 ASP OD1 1.0 . 3.00 6 6 B 1 CA CA A 62 ASP OD1 1.0 . 3.00 7 7 B 1 CA CA A 58 ASP OD2 1.0 . 2.75 8 8 B 1 CA CA A 60 ASP OD2 1.0 . 2.75 9 9 B 1 CA CA A 62 ASP OD2 1.0 . 2.75 10 10 B 1 CA CA A 67 GLU OE1 1.0 . 2.75 11 11 B 1 CA CA A 67 GLU OE2 1.0 . 3.00 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 29 ASN C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -96.710 -72.632 PHI 2 2 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 HIS N 1.0 121.074 141.074 PSI 3 3 A 30 ILE C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 -115.002 -88.542 PHI 4 4 A 31 HIS N A 31 HIS CA A 31 HIS C A 32 PHE N 1.0 111.475 134.853 PSI 5 5 A 31 HIS C A 32 PHE N A 32 PHE CA A 32 PHE C 1.0 -131.682 -102.616 PHI 6 6 A 32 PHE N A 32 PHE CA A 32 PHE C A 33 SER N 1.0 127.008 152.260 PSI 7 7 A 33 SER C A 34 SER N A 34 SER CA A 34 SER C 1.0 -162.897 -96.975 PHI 8 8 A 34 SER N A 34 SER CA A 34 SER C A 35 CYS N 1.0 133.091 178.283 PSI 9 9 A 35 CYS C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -68.465 -48.465 PHI 10 10 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 GLU N 1.0 -47.131 -27.131 PSI 11 11 A 36 LYS C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -77.095 -57.095 PHI 12 12 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 ALA N 1.0 -51.107 -31.107 PSI 13 13 A 38 ALA C A 39 TRP N A 39 TRP CA A 39 TRP C 1.0 -75.528 -55.528 PHI 14 14 A 39 TRP N A 39 TRP CA A 39 TRP C A 40 ALA N 1.0 -50.954 -30.954 PSI 15 15 A 39 TRP C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -76.384 -56.384 PHI 16 16 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 ASN N 1.0 -31.606 -11.606 PSI 17 17 A 40 ALA C A 41 ASN N A 41 ASN CA A 41 ASN C 1.0 -105.495 -85.495 PHI 18 18 A 41 ASN N A 41 ASN CA A 41 ASN C A 42 GLY N 1.0 -6.082 13.918 PSI 19 19 A 41 ASN C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 73.039 96.719 PHI 20 20 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 TYR N 1.0 7.818 27.818 PSI 21 21 A 43 TYR C A 44 SER N A 44 SER CA A 44 SER C 1.0 -141.691 -103.561 PHI 22 22 A 44 SER N A 44 SER CA A 44 SER C A 45 ASP N 1.0 153.385 174.385 PSI 23 23 A 44 SER C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 49.050 69.668 PHI 24 24 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 ILE N 1.0 28.425 55.105 PSI 25 25 A 45 ASP C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -95.331 -74.167 PHI 26 26 A 46 ILE N A 46 ILE CA A 46 ILE C A 47 HIS N 1.0 124.190 146.974 PSI 27 27 A 46 ILE C A 47 HIS N A 47 HIS CA A 47 HIS C 1.0 -134.630 -83.462 PHI 28 28 A 47 HIS N A 47 HIS CA A 47 HIS C A 48 GLU N 1.0 128.215 164.283 PSI 29 29 A 47 HIS C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -67.723 -47.723 PHI 30 30 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 GLY N 1.0 121.495 141.495 PSI 31 31 A 48 GLU C A 49 GLY N A 49 GLY CA A 49 GLY C 1.0 80.522 100.522 PHI 32 32 A 49 GLY N A 49 GLY CA A 49 GLY C A 50 GLU N 1.0 -18.310 1.690 PSI 33 33 A 49 GLY C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -89.161 -62.471 PHI 34 34 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 PRO N 1.0 131.690 160.008 PSI 35 35 A 52 GLY C A 53 TYR N A 53 TYR CA A 53 TYR C 1.0 -80.531 -60.531 PHI 36 36 A 53 TYR N A 53 TYR CA A 53 TYR C A 54 SER N 1.0 -48.493 -21.237 PSI 37 37 A 53 TYR C A 54 SER N A 54 SER CA A 54 SER C 1.0 -142.646 -84.392 PHI 38 38 A 54 SER N A 54 SER CA A 54 SER C A 55 ALA N 1.0 107.830 147.938 PSI 39 39 A 54 SER C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -70.181 -50.181 PHI 40 40 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 LYS N 1.0 -41.519 -21.519 PSI 41 41 A 55 ALA C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -77.856 -57.856 PHI 42 42 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 LEU N 1.0 -33.719 -13.719 PSI 43 43 A 56 LYS C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -106.373 -77.925 PHI 44 44 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 ASP N 1.0 -39.564 -1.408 PSI 45 45 A 57 LEU C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -105.104 -71.942 PHI 46 46 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 ARG N 1.0 61.900 107.768 PSI 47 47 A 58 ASP C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -74.557 -54.557 PHI 48 48 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 ASP N 1.0 -45.246 -25.246 PSI 49 49 A 59 ARG C A 60 ASP N A 60 ASP CA A 60 ASP C 1.0 -99.991 -79.991 PHI 50 50 A 60 ASP N A 60 ASP CA A 60 ASP C A 61 HIS N 1.0 -9.770 10.230 PSI 51 51 A 60 ASP C A 61 HIS N A 61 HIS CA A 61 HIS C 1.0 42.277 62.277 PHI 52 52 A 61 HIS N A 61 HIS CA A 61 HIS C A 62 ASP N 1.0 32.226 52.226 PSI 53 53 A 62 ASP C A 63 GLY N A 63 GLY CA A 63 GLY C 1.0 74.716 94.716 PHI 54 54 A 63 GLY N A 63 GLY CA A 63 GLY C A 64 VAL N 1.0 -4.325 15.675 PSI 55 55 A 63 GLY C A 64 VAL N A 64 VAL CA A 64 VAL C 1.0 -117.320 -81.534 PHI 56 56 A 64 VAL N A 64 VAL CA A 64 VAL C A 65 ALA N 1.0 121.525 146.047 PSI 57 57 A 64 VAL C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -127.090 -91.174 PHI 58 58 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 CYS N 1.0 122.341 147.937 PSI stop_ save_