data_nef_c30309_5w8y 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5W8Y 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 42 CYS SG 1 55 CYS SG 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 1 MET start . . 2 A 2 ASN middle . . 3 A 3 ALA middle . . 4 A 4 ILE middle . . 5 A 5 ASP middle . . 6 A 6 ILE middle . . 7 A 7 ALA middle . . 8 A 8 ILE middle . . 9 A 9 ASN middle . . 10 A 10 LYS middle . . 11 A 11 LEU middle . . 12 A 12 GLY middle . false 13 A 13 SER middle . . 14 A 14 VAL middle . . 15 A 15 SER middle . . 16 A 16 ALA middle . . 17 A 17 LEU middle . . 18 A 18 ALA middle . . 19 A 19 ALA middle . . 20 A 20 ALA middle . . 21 A 21 LEU middle . . 22 A 22 GLY middle . false 23 A 23 VAL middle . . 24 A 24 ASN middle . . 25 A 25 GLN middle . . 26 A 26 SER middle . . 27 A 27 ALA middle . . 28 A 28 ILE middle . . 29 A 29 SER middle . . 30 A 30 GLN middle . . 31 A 31 TRP middle . . 32 A 32 ARG middle . . 33 A 33 ALA middle . . 34 A 34 ARG middle . . 35 A 35 GLY middle . false 36 A 36 ARG middle . . 37 A 37 VAL middle . . 38 A 38 PRO middle . false 39 A 39 ALA middle . . 40 A 40 GLY middle . false 41 A 41 ARG middle . . 42 A 42 CYS middle -HG . 43 A 43 ILE middle . . 44 A 44 ASP middle . . 45 A 45 ILE middle . . 46 A 46 GLU middle . . 47 A 47 LEU middle . . 48 A 48 TYR middle . . 49 A 49 THR middle . . 50 A 50 ASP middle . . 51 A 51 GLY middle . false 52 A 52 ARG middle . . 53 A 53 VAL middle . . 54 A 54 GLU middle . . 55 A 55 CYS middle -HG . 56 A 56 ARG middle . . 57 A 57 GLU middle . . 58 A 58 LEU middle . . 59 A 59 ARG middle . . 60 A 60 PRO middle . false 61 A 61 ASP middle . . 62 A 62 VAL middle . . 63 A 63 PHE middle . . 64 A 64 GLY middle . false 65 A 65 ALA middle . . 66 A 66 LEU middle . . 67 A 67 GLU middle . . 68 A 68 HIS middle . . 69 A 69 HIS middle . . 70 A 70 HIS middle . . 71 A 71 HIS middle . . 72 A 72 HIS middle . . 73 A 73 HIS end . . 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 1 MET HA H 1 4.088 0.007 A 1 MET HBx H 1 2.086 0.006 A 1 MET HBy H 1 2.086 0.006 A 1 MET HE% H 1 2.030 0.000 A 1 MET HGx H 1 2.558 0.006 A 1 MET HGy H 1 2.558 0.006 A 1 MET C C 13 173.266 0.000 A 1 MET CA C 13 55.287 0.088 A 1 MET CE C 13 16.949 0.000 A 1 MET CG C 13 31.423 0.044 A 2 ASN H H 1 9.920 0.002 A 2 ASN HA H 1 5.017 0.004 A 2 ASN HBy H 1 3.061 0.007 A 2 ASN HBx H 1 2.969 0.007 A 2 ASN HD2y H 1 8.057 0.000 A 2 ASN HD2x H 1 7.258 0.001 A 2 ASN C C 13 175.369 0.000 A 2 ASN CA C 13 51.489 0.065 A 2 ASN CB C 13 40.589 0.011 A 2 ASN N N 15 122.264 0.039 A 2 ASN ND2 N 15 116.339 0.028 A 3 ALA H H 1 8.915 0.001 A 3 ALA HA H 1 3.748 0.005 A 3 ALA HB% H 1 1.304 0.004 A 3 ALA C C 13 178.255 0.000 A 3 ALA CA C 13 55.624 0.041 A 3 ALA CB C 13 18.743 0.075 A 3 ALA N N 15 118.929 0.026 A 4 ILE H H 1 8.079 0.001 A 4 ILE HA H 1 3.600 0.007 A 4 ILE HB H 1 1.999 0.005 A 4 ILE HD1% H 1 0.869 0.002 A 4 ILE HG1y H 1 1.306 0.005 A 4 ILE HG1x H 1 1.268 0.007 A 4 ILE HG2% H 1 0.949 0.006 A 4 ILE C C 13 177.314 0.000 A 4 ILE CA C 13 66.039 0.076 A 4 ILE CB C 13 37.422 0.029 A 4 ILE CD1 C 13 15.198 0.046 A 4 ILE CG1 C 13 31.415 0.039 A 4 ILE CG2 C 13 20.984 0.083 A 4 ILE N N 15 114.599 0.009 A 5 ASP H H 1 7.850 0.002 A 5 ASP HA H 1 4.161 0.005 A 5 ASP HBy H 1 2.967 0.003 A 5 ASP HBx H 1 2.628 0.007 A 5 ASP C C 13 178.829 0.000 A 5 ASP CA C 13 58.330 0.031 A 5 ASP CB C 13 41.662 0.022 A 5 ASP N N 15 119.382 0.031 A 6 ILE H H 1 7.775 0.002 A 6 ILE HA H 1 3.672 0.008 A 6 ILE HB H 1 1.904 0.005 A 6 ILE HD1% H 1 0.767 0.005 A 6 ILE HG1y H 1 1.506 0.007 A 6 ILE HG1x H 1 1.349 0.004 A 6 ILE HG2% H 1 0.998 0.004 A 6 ILE C C 13 177.869 0.000 A 6 ILE CA C 13 64.055 0.021 A 6 ILE CB C 13 37.020 0.039 A 6 ILE CD1 C 13 12.100 0.065 A 6 ILE CG2 C 13 18.274 0.067 A 6 ILE N N 15 118.485 0.016 A 7 ALA H H 1 7.952 0.003 A 7 ALA HA H 1 4.179 0.003 A 7 ALA HB% H 1 1.549 0.004 A 7 ALA C C 13 178.947 0.000 A 7 ALA CA C 13 55.294 0.004 A 7 ALA CB C 13 19.396 0.061 A 7 ALA N N 15 124.263 0.027 A 8 ILE H H 1 8.464 0.003 A 8 ILE HA H 1 3.261 0.003 A 8 ILE HB H 1 1.796 0.008 A 8 ILE HD1% H 1 0.688 0.004 A 8 ILE HG1y H 1 1.887 0.008 A 8 ILE HG1x H 1 0.495 0.006 A 8 ILE HG2% H 1 0.600 0.004 A 8 ILE C C 13 177.617 0.000 A 8 ILE CA C 13 65.825 0.036 A 8 ILE CB C 13 37.984 0.031 A 8 ILE CD1 C 13 14.958 0.058 A 8 ILE CG1 C 13 30.894 0.015 A 8 ILE CG2 C 13 16.675 0.048 A 8 ILE N N 15 117.811 0.018 A 9 ASN H H 1 7.887 0.003 A 9 ASN HA H 1 4.287 0.001 A 9 ASN HBx H 1 2.819 0.003 A 9 ASN HBy H 1 2.819 0.003 A 9 ASN HD2y H 1 7.574 0.002 A 9 ASN HD2x H 1 6.866 0.001 A 9 ASN C C 13 177.481 0.000 A 9 ASN CA C 13 55.919 0.018 A 9 ASN CB C 13 38.297 0.042 A 9 ASN N N 15 117.507 0.019 A 9 ASN ND2 N 15 111.854 0.045 A 10 LYS H H 1 8.183 0.002 A 10 LYS HA H 1 4.114 0.006 A 10 LYS HBy H 1 2.177 0.019 A 10 LYS HBx H 1 2.108 0.005 A 10 LYS HDy H 1 1.751 0.005 A 10 LYS HDx H 1 1.498 0.005 A 10 LYS HEy H 1 3.036 0.009 A 10 LYS HEx H 1 3.013 0.010 A 10 LYS HGx H 1 1.661 0.197 A 10 LYS HGy H 1 1.661 0.197 A 10 LYS C C 13 178.346 0.000 A 10 LYS CA C 13 58.237 0.028 A 10 LYS CB C 13 31.976 0.046 A 10 LYS CD C 13 24.424 0.070 A 10 LYS CE C 13 42.023 0.026 A 10 LYS N N 15 120.215 0.027 A 11 LEU H H 1 7.691 0.002 A 11 LEU HA H 1 4.273 0.004 A 11 LEU HBy H 1 1.575 0.004 A 11 LEU HBx H 1 1.430 0.011 A 11 LEU HD1% H 1 0.262 0.004 A 11 LEU HD2% H 1 0.618 0.007 A 11 LEU HG H 1 1.366 0.012 A 11 LEU C C 13 178.371 0.000 A 11 LEU CA C 13 55.216 0.045 A 11 LEU CB C 13 42.572 0.037 A 11 LEU CD1 C 13 25.034 0.050 A 11 LEU CD2 C 13 22.019 0.032 A 11 LEU N N 15 117.116 0.012 A 12 GLY H H 1 8.427 0.001 A 12 GLY HAy H 1 4.414 0.007 A 12 GLY HAx H 1 3.630 0.005 A 12 GLY C C 13 173.325 0.000 A 12 GLY CA C 13 45.738 0.026 A 12 GLY N N 15 108.396 0.015 A 13 SER H H 1 7.095 0.003 A 13 SER HA H 1 4.521 0.003 A 13 SER HBy H 1 4.238 0.004 A 13 SER HBx H 1 4.090 0.006 A 13 SER C C 13 174.035 0.000 A 13 SER CA C 13 57.756 0.026 A 13 SER CB C 13 64.911 0.051 A 13 SER N N 15 108.953 0.017 A 14 VAL H H 1 8.870 0.003 A 14 VAL HA H 1 3.445 0.006 A 14 VAL HB H 1 2.005 0.004 A 14 VAL HG1% H 1 0.813 0.005 A 14 VAL HG2% H 1 0.985 0.003 A 14 VAL C C 13 177.865 0.000 A 14 VAL CA C 13 66.776 0.050 A 14 VAL CB C 13 31.608 0.000 A 14 VAL CG1 C 13 21.222 0.041 A 14 VAL CG2 C 13 23.191 0.067 A 14 VAL N N 15 121.861 0.020 A 15 SER H H 1 8.409 0.001 A 15 SER HA H 1 3.839 0.005 A 15 SER HBx H 1 3.827 0.017 A 15 SER HBy H 1 3.827 0.017 A 15 SER C C 13 176.859 0.000 A 15 SER CA C 13 61.623 0.040 A 15 SER CB C 13 61.874 0.000 A 15 SER N N 15 114.368 0.015 A 16 ALA H H 1 8.237 0.002 A 16 ALA HA H 1 4.148 0.003 A 16 ALA HB% H 1 1.315 0.002 A 16 ALA C C 13 180.578 0.000 A 16 ALA CA C 13 54.714 0.041 A 16 ALA CB C 13 19.008 0.056 A 16 ALA N N 15 124.435 0.019 A 17 LEU H H 1 7.444 0.002 A 17 LEU HA H 1 4.011 0.007 A 17 LEU HBy H 1 1.798 0.003 A 17 LEU HBx H 1 1.149 0.007 A 17 LEU HD1% H 1 0.698 0.003 A 17 LEU HD2% H 1 0.869 0.003 A 17 LEU HG H 1 1.482 0.010 A 17 LEU C C 13 177.132 0.000 A 17 LEU CA C 13 57.359 0.071 A 17 LEU CB C 13 41.217 0.037 A 17 LEU CD1 C 13 24.128 0.044 A 17 LEU CD2 C 13 27.933 0.042 A 17 LEU N N 15 120.112 0.018 A 18 ALA H H 1 8.506 0.001 A 18 ALA HA H 1 3.555 0.005 A 18 ALA HB% H 1 1.293 0.003 A 18 ALA C C 13 179.219 0.000 A 18 ALA CA C 13 55.392 0.050 A 18 ALA CB C 13 17.337 0.072 A 18 ALA N N 15 121.364 0.014 A 19 ALA H H 1 7.892 0.005 A 19 ALA HA H 1 4.134 0.002 A 19 ALA HB% H 1 1.439 0.003 A 19 ALA C C 13 180.676 0.000 A 19 ALA CA C 13 54.640 0.035 A 19 ALA CB C 13 17.957 0.036 A 19 ALA N N 15 118.224 0.020 A 20 ALA H H 1 7.696 0.002 A 20 ALA HA H 1 4.125 0.005 A 20 ALA HB% H 1 1.430 0.003 A 20 ALA C C 13 179.525 0.000 A 20 ALA CA C 13 54.700 0.008 A 20 ALA CB C 13 17.730 0.078 A 20 ALA N N 15 120.628 0.021 A 21 LEU H H 1 7.838 0.002 A 21 LEU HA H 1 4.483 0.002 A 21 LEU HBy H 1 1.781 0.022 A 21 LEU HBx H 1 1.713 0.008 A 21 LEU HD1% H 1 0.990 0.004 A 21 LEU HD2% H 1 1.017 0.007 A 21 LEU HG H 1 1.960 0.005 A 21 LEU C C 13 177.380 0.000 A 21 LEU CA C 13 54.901 0.003 A 21 LEU CB C 13 43.154 0.042 A 21 LEU CD1 C 13 26.059 0.042 A 21 LEU CD2 C 13 24.342 0.044 A 21 LEU N N 15 115.444 0.017 A 22 GLY H H 1 8.008 0.001 A 22 GLY HAx H 1 3.974 0.005 A 22 GLY HAy H 1 3.974 0.005 A 22 GLY C C 13 175.216 0.000 A 22 GLY CA C 13 46.988 0.034 A 22 GLY N N 15 110.186 0.013 A 23 VAL H H 1 7.930 0.004 A 23 VAL HA H 1 4.733 0.004 A 23 VAL HB H 1 2.147 0.003 A 23 VAL HG1% H 1 0.956 0.002 A 23 VAL HG2% H 1 0.537 0.004 A 23 VAL C C 13 173.965 0.000 A 23 VAL CA C 13 58.410 0.030 A 23 VAL CB C 13 35.008 0.000 A 23 VAL CG1 C 13 21.712 0.181 A 23 VAL CG2 C 13 18.589 0.066 A 23 VAL N N 15 111.438 0.017 A 24 ASN H H 1 8.157 0.003 A 24 ASN HA H 1 4.706 0.011 A 24 ASN HBy H 1 2.901 0.006 A 24 ASN HBx H 1 2.809 0.008 A 24 ASN HD2y H 1 7.684 0.000 A 24 ASN HD2x H 1 6.948 0.001 A 24 ASN C C 13 176.680 0.000 A 24 ASN CA C 13 52.283 0.048 A 24 ASN CB C 13 39.464 0.031 A 24 ASN N N 15 117.085 0.013 A 24 ASN ND2 N 15 113.277 0.013 A 25 GLN H H 1 9.001 0.003 A 25 GLN HA H 1 3.487 0.004 A 25 GLN HBx H 1 1.945 0.007 A 25 GLN HBy H 1 1.945 0.007 A 25 GLN HE2y H 1 7.563 0.001 A 25 GLN HE2x H 1 6.934 0.001 A 25 GLN HGy H 1 2.348 0.004 A 25 GLN HGx H 1 2.082 0.007 A 25 GLN C C 13 177.287 0.000 A 25 GLN CA C 13 60.164 0.024 A 25 GLN CB C 13 28.150 0.000 A 25 GLN N N 15 121.223 0.024 A 25 GLN NE2 N 15 112.223 0.025 A 26 SER H H 1 8.497 0.001 A 26 SER HA H 1 3.989 0.001 A 26 SER HBx H 1 3.797 0.003 A 26 SER HBy H 1 3.797 0.003 A 26 SER C C 13 176.499 0.000 A 26 SER CA C 13 60.913 0.161 A 26 SER CB C 13 62.209 0.060 A 26 SER N N 15 114.418 0.032 A 27 ALA H H 1 7.301 0.004 A 27 ALA HA H 1 3.887 0.007 A 27 ALA HB% H 1 1.115 0.002 A 27 ALA C C 13 177.271 0.000 A 27 ALA CA C 13 54.692 0.064 A 27 ALA CB C 13 17.493 0.068 A 27 ALA N N 15 125.156 0.024 A 28 ILE H H 1 6.356 0.001 A 28 ILE HA H 1 2.726 0.005 A 28 ILE HB H 1 1.927 0.003 A 28 ILE HD1% H 1 0.090 0.004 A 28 ILE HG1y H 1 1.096 0.007 A 28 ILE HG1x H 1 0.887 0.010 A 28 ILE HG2% H 1 0.716 0.005 A 28 ILE C C 13 178.213 0.000 A 28 ILE CA C 13 61.666 0.030 A 28 ILE CB C 13 34.429 0.045 A 28 ILE CD1 C 13 9.800 0.056 A 28 ILE CG1 C 13 27.053 0.010 A 28 ILE CG2 C 13 19.718 0.042 A 28 ILE N N 15 112.474 0.017 A 29 SER H H 1 7.908 0.002 A 29 SER HA H 1 3.860 0.005 A 29 SER HBx H 1 3.946 0.001 A 29 SER HBy H 1 3.946 0.001 A 29 SER C C 13 176.969 0.000 A 29 SER CA C 13 62.100 0.000 A 29 SER N N 15 113.387 0.018 A 30 GLN H H 1 7.740 0.001 A 30 GLN HA H 1 4.186 0.002 A 30 GLN HBx H 1 2.296 0.009 A 30 GLN HBy H 1 2.296 0.009 A 30 GLN HE2y H 1 7.458 0.000 A 30 GLN HE2x H 1 6.904 0.001 A 30 GLN HGy H 1 2.578 0.004 A 30 GLN HGx H 1 2.347 0.008 A 30 GLN C C 13 178.817 0.000 A 30 GLN CA C 13 59.172 0.055 A 30 GLN CB C 13 28.414 0.031 A 30 GLN CG C 13 34.112 0.043 A 30 GLN N N 15 123.328 0.020 A 30 GLN NE2 N 15 111.709 0.015 A 31 TRP H H 1 8.946 0.005 A 31 TRP HA H 1 4.827 0.006 A 31 TRP HBy H 1 3.365 0.011 A 31 TRP HBx H 1 3.283 0.011 A 31 TRP HD1 H 1 7.035 0.003 A 31 TRP HE1 H 1 10.440 0.002 A 31 TRP HE3 H 1 7.188 0.006 A 31 TRP HH2 H 1 6.895 0.006 A 31 TRP HZ2 H 1 7.488 0.004 A 31 TRP HZ3 H 1 6.736 0.008 A 31 TRP C C 13 179.359 0.000 A 31 TRP CA C 13 57.756 0.000 A 31 TRP CB C 13 29.811 0.043 A 31 TRP CD1 C 13 125.946 0.022 A 31 TRP CE3 C 13 119.249 0.043 A 31 TRP CH2 C 13 123.361 0.048 A 31 TRP CZ2 C 13 114.678 0.028 A 31 TRP CZ3 C 13 120.480 0.019 A 31 TRP N N 15 121.421 0.025 A 31 TRP NE1 N 15 129.256 0.009 A 32 ARG H H 1 8.815 0.001 A 32 ARG HA H 1 3.862 0.005 A 32 ARG HBx H 1 1.916 0.004 A 32 ARG HBy H 1 1.916 0.004 A 32 ARG HDy H 1 3.081 0.003 A 32 ARG HDx H 1 2.875 0.005 A 32 ARG HE H 1 8.012 0.001 A 32 ARG HGy H 1 1.759 0.007 A 32 ARG HGx H 1 1.529 0.006 A 32 ARG C C 13 178.259 0.000 A 32 ARG CA C 13 59.614 0.064 A 32 ARG CB C 13 30.848 0.026 A 32 ARG CD C 13 43.994 0.018 A 32 ARG N N 15 117.728 0.019 A 32 ARG NE N 15 83.81 0.018 A 33 ALA H H 1 7.726 0.002 A 33 ALA HA H 1 4.168 0.006 A 33 ALA HB% H 1 1.549 0.002 A 33 ALA C C 13 179.407 0.000 A 33 ALA CA C 13 54.655 0.009 A 33 ALA CB C 13 18.487 0.053 A 33 ALA N N 15 120.105 0.017 A 34 ARG H H 1 7.963 0.005 A 34 ARG HA H 1 4.379 0.003 A 34 ARG HBy H 1 2.071 0.011 A 34 ARG HBx H 1 2.041 0.019 A 34 ARG HDy H 1 3.253 0.009 A 34 ARG HDx H 1 3.206 0.001 A 34 ARG HE H 1 7.254 0.004 A 34 ARG HGy H 1 1.834 0.013 A 34 ARG HGx H 1 1.815 0.019 A 34 ARG C C 13 177.402 0.000 A 34 ARG CA C 13 56.407 0.020 A 34 ARG CB C 13 31.220 0.028 A 34 ARG N N 15 115.209 0.016 A 34 ARG NE N 15 84.42 0.012 A 35 GLY H H 1 8.460 0.001 A 35 GLY HAy H 1 4.197 0.003 A 35 GLY HAx H 1 3.636 0.004 A 35 GLY C C 13 174.024 0.000 A 35 GLY CA C 13 45.857 0.033 A 35 GLY N N 15 107.680 0.017 A 36 ARG H H 1 7.393 0.002 A 36 ARG HA H 1 4.844 0.005 A 36 ARG HBy H 1 1.384 0.003 A 36 ARG HBx H 1 1.277 0.016 A 36 ARG HDy H 1 2.937 0.008 A 36 ARG HDx H 1 2.859 0.002 A 36 ARG HGx H 1 1.454 0.007 A 36 ARG HGy H 1 1.454 0.007 A 36 ARG C C 13 174.091 0.000 A 36 ARG CA C 13 54.170 0.020 A 36 ARG CB C 13 35.775 0.017 A 36 ARG N N 15 116.900 0.014 A 37 VAL H H 1 8.040 0.008 A 37 VAL HA H 1 3.946 0.006 A 37 VAL HB H 1 1.133 0.003 A 37 VAL HG1% H 1 0.687 0.002 A 37 VAL HG2% H 1 0.590 0.005 A 37 VAL CA C 13 57.549 0.028 A 37 VAL CB C 13 30.175 0.000 A 37 VAL CG1 C 13 23.029 0.064 A 37 VAL CG2 C 13 21.132 0.055 A 37 VAL N N 15 113.879 0.026 A 38 PRO HA H 1 4.078 0.002 A 38 PRO HBy H 1 2.229 0.012 A 38 PRO HBx H 1 1.411 0.007 A 38 PRO HDy H 1 1.486 0.002 A 38 PRO HDx H 1 1.401 0.010 A 38 PRO HGy H 1 1.866 0.006 A 38 PRO HGx H 1 1.636 0.008 A 38 PRO C C 13 174.201 0.000 A 38 PRO CA C 13 62.820 0.038 A 38 PRO CB C 13 32.007 0.047 A 38 PRO CD C 13 49.168 0.040 A 39 ALA H H 1 8.123 0.002 A 39 ALA HA H 1 3.929 0.003 A 39 ALA HB% H 1 1.246 0.004 A 39 ALA C C 13 178.459 0.000 A 39 ALA CA C 13 53.454 0.057 A 39 ALA CB C 13 18.120 0.069 A 39 ALA N N 15 121.995 0.028 A 40 GLY H H 1 8.700 0.001 A 40 GLY HAy H 1 4.203 0.002 A 40 GLY HAx H 1 3.743 0.004 A 40 GLY C C 13 175.074 0.000 A 40 GLY CA C 13 45.365 0.048 A 40 GLY N N 15 111.195 0.015 A 41 ARG H H 1 7.929 0.001 A 41 ARG HA H 1 4.573 0.002 A 41 ARG HBy H 1 1.696 0.006 A 41 ARG HBx H 1 1.589 0.006 A 41 ARG HDy H 1 3.378 0.005 A 41 ARG HDx H 1 2.964 0.002 A 41 ARG HE H 1 7.851 0.001 A 41 ARG HGy H 1 1.317 0.005 A 41 ARG HGx H 1 1.279 0.006 A 41 ARG C C 13 178.942 0.000 A 41 ARG CA C 13 54.629 0.045 A 41 ARG CB C 13 28.656 0.000 A 41 ARG CD C 13 42.275 0.035 A 41 ARG N N 15 114.418 0.022 A 41 ARG NE N 15 81.98 0.019 A 42 CYS H H 1 9.626 0.002 A 42 CYS HA H 1 4.331 0.003 A 42 CYS HBy H 1 3.035 0.007 A 42 CYS HBx H 1 2.942 0.014 A 42 CYS C C 13 176.587 0.000 A 42 CYS CA C 13 60.161 0.048 A 42 CYS CB C 13 36.523 0.061 A 42 CYS N N 15 121.548 0.023 A 43 ILE H H 1 7.937 0.001 A 43 ILE HA H 1 3.929 0.002 A 43 ILE HB H 1 1.702 0.004 A 43 ILE HD1% H 1 0.838 0.003 A 43 ILE HG1y H 1 1.431 0.003 A 43 ILE HG1x H 1 1.168 0.006 A 43 ILE HG2% H 1 0.874 0.005 A 43 ILE C C 13 176.489 0.000 A 43 ILE CA C 13 63.740 0.063 A 43 ILE CB C 13 37.961 0.054 A 43 ILE CD1 C 13 13.727 0.069 A 43 ILE CG1 C 13 27.946 0.054 A 43 ILE CG2 C 13 17.044 0.060 A 43 ILE N N 15 117.917 0.028 A 44 ASP H H 1 6.867 0.002 A 44 ASP HA H 1 4.590 0.003 A 44 ASP HBx H 1 2.799 0.004 A 44 ASP HBy H 1 2.799 0.004 A 44 ASP C C 13 177.251 0.000 A 44 ASP CA C 13 56.359 0.008 A 44 ASP CB C 13 42.198 0.035 A 44 ASP N N 15 119.294 0.015 A 45 ILE H H 1 7.577 0.001 A 45 ILE HA H 1 3.938 0.005 A 45 ILE HB H 1 2.426 0.007 A 45 ILE HD1% H 1 0.901 0.004 A 45 ILE HG1y H 1 1.686 0.006 A 45 ILE HG1x H 1 1.517 0.010 A 45 ILE HG2% H 1 0.845 0.006 A 45 ILE C C 13 178.240 0.000 A 45 ILE CA C 13 62.232 0.047 A 45 ILE CB C 13 36.895 0.000 A 45 ILE CD1 C 13 10.788 0.054 A 45 ILE CG2 C 13 18.395 0.067 A 45 ILE N N 15 118.106 0.014 A 46 GLU H H 1 8.640 0.002 A 46 GLU HA H 1 4.311 0.003 A 46 GLU HBx H 1 1.993 0.003 A 46 GLU HBy H 1 1.993 0.003 A 46 GLU HGy H 1 2.414 0.002 A 46 GLU HGx H 1 2.210 0.008 A 46 GLU C C 13 177.852 0.000 A 46 GLU CA C 13 58.391 0.028 A 46 GLU CB C 13 29.395 0.048 A 46 GLU N N 15 117.008 0.014 A 47 LEU H H 1 7.015 0.004 A 47 LEU HA H 1 3.950 0.004 A 47 LEU HBy H 1 1.175 0.007 A 47 LEU HBx H 1 0.765 0.014 A 47 LEU HD1% H 1 0.871 0.003 A 47 LEU HD2% H 1 0.733 0.003 A 47 LEU HG H 1 1.590 0.005 A 47 LEU C C 13 178.804 0.000 A 47 LEU CA C 13 57.016 0.033 A 47 LEU CB C 13 41.207 0.036 A 47 LEU CD1 C 13 24.862 0.030 A 47 LEU CD2 C 13 23.011 0.011 A 47 LEU N N 15 118.734 0.016 A 48 TYR H H 1 7.995 0.002 A 48 TYR HA H 1 4.743 0.005 A 48 TYR HBy H 1 3.439 0.004 A 48 TYR HBx H 1 2.762 0.006 A 48 TYR HDx H 1 7.065 0.006 A 48 TYR HDy H 1 7.065 0.006 A 48 TYR HEx H 1 6.723 0.008 A 48 TYR HEy H 1 6.723 0.008 A 48 TYR C C 13 175.387 0.000 A 48 TYR CA C 13 57.285 0.043 A 48 TYR CB C 13 39.660 0.021 A 48 TYR CD1 C 13 132.971 0.041 A 48 TYR CD2 C 13 132.971 0.041 A 48 TYR CE1 C 13 118.360 0.052 A 48 TYR CE2 C 13 118.360 0.052 A 48 TYR N N 15 115.121 0.014 A 49 THR H H 1 7.261 0.001 A 49 THR HA H 1 4.467 0.005 A 49 THR HB H 1 4.422 0.020 A 49 THR HG2% H 1 1.261 0.003 A 49 THR C C 13 175.376 0.000 A 49 THR CA C 13 61.095 0.025 A 49 THR CB C 13 70.505 0.049 A 49 THR CG2 C 13 22.772 0.035 A 49 THR N N 15 105.269 0.014 A 50 ASP H H 1 8.359 0.001 A 50 ASP HA H 1 4.461 0.005 A 50 ASP HBy H 1 2.874 0.006 A 50 ASP HBx H 1 2.740 0.006 A 50 ASP C C 13 175.937 0.000 A 50 ASP CA C 13 55.079 0.025 A 50 ASP CB C 13 40.760 0.031 A 50 ASP N N 15 119.061 0.016 A 51 GLY H H 1 8.390 0.001 A 51 GLY HAy H 1 3.983 0.001 A 51 GLY HAx H 1 3.784 0.002 A 51 GLY C C 13 175.987 0.000 A 51 GLY CA C 13 45.994 0.016 A 51 GLY N N 15 106.027 0.018 A 52 ARG H H 1 8.007 0.001 A 52 ARG HA H 1 4.056 0.004 A 52 ARG HBx H 1 1.808 0.004 A 52 ARG HBy H 1 1.808 0.004 A 52 ARG HDx H 1 3.192 0.000 A 52 ARG HDy H 1 3.192 0.000 A 52 ARG HGx H 1 1.662 0.000 A 52 ARG HGy H 1 1.662 0.000 A 52 ARG C C 13 176.222 0.000 A 52 ARG CA C 13 58.307 0.043 A 52 ARG CB C 13 31.331 0.000 A 52 ARG N N 15 118.617 0.015 A 53 VAL H H 1 7.254 0.001 A 53 VAL HA H 1 4.264 0.005 A 53 VAL HB H 1 1.873 0.004 A 53 VAL HG1% H 1 0.857 0.003 A 53 VAL HG2% H 1 0.879 0.005 A 53 VAL C C 13 173.848 0.000 A 53 VAL CA C 13 60.058 0.056 A 53 VAL CB C 13 34.671 0.000 A 53 VAL CG1 C 13 20.808 0.024 A 53 VAL CG2 C 13 20.836 0.056 A 53 VAL N N 15 114.250 0.018 A 54 GLU H H 1 8.685 0.002 A 54 GLU HA H 1 4.132 0.001 A 54 GLU HBx H 1 1.921 0.006 A 54 GLU HBy H 1 1.921 0.006 A 54 GLU HGx H 1 2.194 0.004 A 54 GLU HGy H 1 2.194 0.004 A 54 GLU C C 13 174.938 0.000 A 54 GLU CA C 13 56.692 0.000 A 54 GLU CB C 13 30.280 0.016 A 54 GLU N N 15 126.153 0.021 A 55 CYS H H 1 9.079 0.002 A 55 CYS HA H 1 4.407 0.002 A 55 CYS HBy H 1 3.148 0.004 A 55 CYS HBx H 1 2.684 0.005 A 55 CYS C C 13 172.893 0.000 A 55 CYS CA C 13 56.849 0.052 A 55 CYS CB C 13 39.096 0.054 A 55 CYS N N 15 126.500 0.018 A 56 ARG H H 1 9.116 0.003 A 56 ARG HA H 1 4.735 0.004 A 56 ARG HBy H 1 1.847 0.004 A 56 ARG HBx H 1 1.676 0.090 A 56 ARG HDx H 1 3.159 0.007 A 56 ARG HDy H 1 3.159 0.007 A 56 ARG HE H 1 7.250 0.002 A 56 ARG HGy H 1 1.601 0.011 A 56 ARG HGx H 1 1.547 0.000 A 56 ARG C C 13 174.587 0.000 A 56 ARG CA C 13 55.040 0.057 A 56 ARG CB C 13 33.263 0.063 A 56 ARG N N 15 130.115 0.016 A 56 ARG NE N 15 84.51 0.000 A 57 GLU H H 1 8.581 0.004 A 57 GLU HA H 1 5.137 0.004 A 57 GLU HBx H 1 1.779 0.006 A 57 GLU HBy H 1 1.779 0.006 A 57 GLU HGy H 1 2.262 0.005 A 57 GLU HGx H 1 2.063 0.006 A 57 GLU C C 13 177.946 0.000 A 57 GLU CA C 13 53.912 0.055 A 57 GLU CB C 13 33.404 0.030 A 57 GLU N N 15 119.961 0.016 A 58 LEU H H 1 8.244 0.003 A 58 LEU HA H 1 4.230 0.003 A 58 LEU HBy H 1 1.467 0.003 A 58 LEU HBx H 1 1.367 0.010 A 58 LEU HD1% H 1 0.702 0.005 A 58 LEU HD2% H 1 0.730 0.007 A 58 LEU HG H 1 1.235 0.005 A 58 LEU C C 13 176.188 0.000 A 58 LEU CA C 13 54.330 0.036 A 58 LEU CB C 13 43.208 0.013 A 58 LEU CD1 C 13 25.022 0.030 A 58 LEU CD2 C 13 23.658 0.027 A 58 LEU N N 15 122.587 0.041 A 59 ARG H H 1 8.369 0.001 A 59 ARG HA H 1 4.515 0.004 A 59 ARG HBy H 1 1.858 0.002 A 59 ARG HBx H 1 1.713 0.005 A 59 ARG HDx H 1 3.183 0.004 A 59 ARG HDy H 1 3.183 0.004 A 59 ARG HE H 1 7.401 0.000 A 59 ARG HGx H 1 2.353 0.000 A 59 ARG HGy H 1 2.353 0.000 A 59 ARG CA C 13 54.131 0.032 A 59 ARG CB C 13 29.999 0.047 A 59 ARG N N 15 122.417 0.026 A 59 ARG NE N 15 84.71 0.000 A 60 PRO HA H 1 4.323 0.003 A 60 PRO HBy H 1 2.221 0.003 A 60 PRO HBx H 1 1.880 0.006 A 60 PRO HDy H 1 3.741 0.008 A 60 PRO HDx H 1 3.636 0.003 A 60 PRO HGy H 1 1.998 0.004 A 60 PRO HGx H 1 1.964 0.007 A 60 PRO C C 13 176.435 0.000 A 60 PRO CA C 13 63.437 0.046 A 60 PRO CB C 13 32.000 0.057 A 60 PRO CD C 13 50.534 0.047 A 61 ASP H H 1 8.439 0.001 A 61 ASP HA H 1 4.520 0.001 A 61 ASP HBx H 1 2.594 0.001 A 61 ASP HBy H 1 2.594 0.001 A 61 ASP C C 13 176.330 0.000 A 61 ASP CA C 13 54.313 0.016 A 61 ASP CB C 13 40.946 0.051 A 61 ASP N N 15 119.967 0.023 A 62 VAL H H 1 7.854 0.002 A 62 VAL HA H 1 4.004 0.004 A 62 VAL HB H 1 1.949 0.003 A 62 VAL HG1% H 1 0.738 0.005 A 62 VAL HG2% H 1 0.749 0.005 A 62 VAL C C 13 175.991 0.000 A 62 VAL CA C 13 62.503 0.062 A 62 VAL CB C 13 32.559 0.046 A 62 VAL CG1 C 13 20.989 0.057 A 62 VAL CG2 C 13 20.259 0.000 A 62 VAL N N 15 119.188 0.025 A 63 PHE H H 1 8.252 0.002 A 63 PHE HA H 1 4.549 0.004 A 63 PHE HBy H 1 3.151 0.006 A 63 PHE HBx H 1 2.985 0.004 A 63 PHE HDx H 1 7.225 0.009 A 63 PHE HDy H 1 7.225 0.009 A 63 PHE C C 13 176.474 0.000 A 63 PHE CA C 13 58.183 0.059 A 63 PHE CB C 13 39.381 0.038 A 63 PHE CD1 C 13 131.728 0.000 A 63 PHE CD2 C 13 131.728 0.000 A 63 PHE N N 15 122.824 0.056 A 64 GLY H H 1 8.295 0.006 A 64 GLY HAx H 1 3.854 0.002 A 64 GLY HAy H 1 3.854 0.002 A 64 GLY C C 13 173.937 0.000 A 64 GLY CA C 13 45.462 0.034 A 64 GLY N N 15 110.670 0.030 A 65 ALA H H 1 8.100 0.001 A 65 ALA HA H 1 4.248 0.003 A 65 ALA HB% H 1 1.352 0.003 A 65 ALA C C 13 177.880 0.000 A 65 ALA CA C 13 52.675 0.056 A 65 ALA CB C 13 19.295 0.085 A 65 ALA N N 15 123.608 0.023 A 66 LEU H H 1 8.199 0.001 A 66 LEU HA H 1 4.251 0.002 A 66 LEU HBy H 1 1.574 0.005 A 66 LEU HBx H 1 1.483 0.004 A 66 LEU HD1% H 1 0.871 0.002 A 66 LEU HD2% H 1 0.808 0.003 A 66 LEU C C 13 177.373 0.000 A 66 LEU CA C 13 55.119 0.086 A 66 LEU CB C 13 42.255 0.014 A 66 LEU CD1 C 13 24.998 0.000 A 66 LEU CD2 C 13 23.405 0.011 A 66 LEU N N 15 120.595 0.021 A 67 GLU H H 1 8.210 0.001 A 67 GLU HA H 1 4.146 0.003 A 67 GLU HBy H 1 2.137 0.013 A 67 GLU HBx H 1 2.113 0.014 A 67 GLU HGx H 1 1.841 0.004 A 67 GLU HGy H 1 1.841 0.004 A 67 GLU C C 13 173.892 0.000 A 67 GLU CA C 13 56.538 0.033 A 67 GLU CB C 13 30.350 0.000 A 67 GLU N N 15 120.913 0.044 A 68 HIS H H 1 8.210 0.002 A 68 HIS HA H 1 4.403 0.000 A 68 HIS HBy H 1 3.188 0.000 A 68 HIS HBx H 1 3.048 0.000 A 68 HIS C C 13 176.084 0.000 A 68 HIS CA C 13 57.180 0.000 A 68 HIS CB C 13 30.167 0.000 A 68 HIS N N 15 125.400 0.017 A 69 HIS H H 1 8.312 0.002 A 69 HIS HA H 1 4.541 0.000 A 69 HIS HBx H 1 2.995 0.012 A 69 HIS HBy H 1 2.995 0.012 A 69 HIS CA C 13 55.913 0.000 A 69 HIS CB C 13 30.221 0.000 A 69 HIS N N 15 119.724 0.018 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 28 ILE HA A 28 ILE HD1% 1.0 0.0 3.91 2 2 A 28 ILE HD1% A 18 ALA HA 1.0 0.0 4.28 3 3 A 28 ILE HD1% A 31 TRP HZ3 1.0 0.0 4.85 4 4 A 28 ILE HD1% A 31 TRP HE3 1.0 0.0 4.76 5 5 A 28 ILE HD1% A 17 LEU HG 1.0 0.0 4.74 6 6 A 45 ILE HA A 45 ILE HD1% 1.0 0.0 4.03 7 7 A 31 TRP HZ3 A 45 ILE HD1% 1.0 0.0 4.57 8 8 A 43 ILE HB A 43 ILE HD1% 1.0 0.0 3.92 9 9 A 43 ILE HD1% A 43 ILE HA 1.0 0.0 4.73 10 10 A 8 ILE HD1% A 32 ARG HDx 1.0 0.0 4.38 11 11 A 8 ILE HD1% A 14 VAL HA 1.0 0.0 4.79 12 12 A 8 ILE HD1% A 32 ARG HDy 1.0 0.0 4.38 13 13 A 4 ILE HB A 4 ILE HD1% 1.0 0.0 3.66 14 14 A 4 ILE HD1% A 32 ARG HA 1.0 0.0 4.15 15 15 A 4 ILE HD1% A 4 ILE HA 1.0 0.0 4.13 16 16 A 4 ILE HD1% A 36 ARG HA 1.0 0.0 5.09 17 17 A 31 TRP HE3 A 4 ILE HD1% 1.0 0.0 5.09 18 18 A 4 ILE HD1% A 2 ASN HA 1.0 0.0 4.20 19 19 A 3 ALA HA A 6 ILE HB 1.0 0.0 3.80 20 20 A 45 ILE HD1% A 4 ILE HA 1.0 0.0 3.90 21 21 A 4 ILE HB A 32 ARG HA 1.0 0.0 3.65 22 22 A 45 ILE HD1% A 4 ILE HB 1.0 0.0 3.79 23 23 A 5 ASP HA A 8 ILE HB 1.0 0.0 4.29 24 24 A 8 ILE HD1% A 5 ASP HA 1.0 0.0 4.04 25 25 A 6 ILE HD1% A 6 ILE HA 1.0 0.0 4.20 26 26 A 6 ILE HD1% A 6 ILE HB 1.0 0.0 3.74 27 27 A 8 ILE HD1% A 8 ILE HA 1.0 0.0 4.42 28 28 A 28 ILE HA A 31 TRP HE3 1.0 0.0 5.23 29 29 A 28 ILE HA A 31 TRP HBx 1.0 0.0 5.01 30 30 A 28 ILE HA A 31 TRP HBy 1.0 0.0 5.01 31 31 A 10 LYS HA A 10 LYS HDx 1.0 0.0 5.21 32 32 A 10 LYS HA A 10 LYS HDy 1.0 0.0 5.21 33 33 A 34 ARG HA A 34 ARG HDx 1.0 0.0 4.02 34 34 A 34 ARG HA A 34 ARG HDy 1.0 0.0 4.02 35 35 A 37 VAL HB A 38 PRO HDy 1.0 0.0 4.42 36 36 A 37 VAL HB A 38 PRO HDx 1.0 0.0 4.42 37 37 A 39 ALA HA A 57 GLU HGy 1.0 0.0 5.30 38 38 A 39 ALA HA A 57 GLU HGx 1.0 0.0 5.30 39 39 A 39 ALA HA A 58 LEU HA 1.0 0.0 4.85 40 40 A 41 ARG HA A 41 ARG HDy 1.0 0.0 4.17 41 41 A 41 ARG HA A 41 ARG HDx 1.0 0.0 4.17 42 42 A 42 CYS HA A 45 ILE HB 1.0 0.0 3.69 43 43 A 46 GLU HA A 49 THR H 1.0 0.0 3.90 44 44 A 51 GLY H A 52 ARG H 1.0 0.0 3.94 45 45 A 51 GLY H A 53 VAL H 1.0 0.0 5.12 46 46 A 35 GLY H A 36 ARG H 1.0 0.0 3.58 47 47 A 32 ARG HA A 35 GLY H 1.0 0.0 4.70 48 48 A 4 ILE HD1% A 35 GLY H 1.0 0.0 4.72 49 49 A 11 LEU H A 12 GLY H 1.0 0.0 3.48 50 50 A 9 ASN HA A 12 GLY H 1.0 0.0 3.96 51 51 A 8 ILE HA A 12 GLY H 1.0 0.0 5.15 52 52 A 12 GLY H A 11 LEU HBx 1.0 0.0 4.70 53 53 A 8 ILE HA A 13 SER H 1.0 0.0 5.18 54 54 A 13 SER H A 14 VAL H 1.0 0.0 5.08 55 55 A 20 ALA HA A 22 GLY H 1.0 0.0 4.05 56 56 A 63 PHE HBx A 64 GLY H 1.0 0.0 5.33 57 57 A 63 PHE HBy A 64 GLY H 1.0 0.0 5.33 58 58 A 39 ALA HA A 40 GLY H 1.0 0.0 2.92 59 59 A 18 ALA HA A 23 VAL H 1.0 0.0 4.70 60 60 A 27 ALA H A 28 ILE H 1.0 0.0 3.58 61 61 A 28 ILE H A 29 SER H 1.0 0.0 3.72 62 62 A 25 GLN HA A 28 ILE H 1.0 0.0 4.23 63 63 A 28 ILE HB A 28 ILE H 1.0 0.0 3.29 64 64 A 28 ILE HD1% A 28 ILE H 1.0 0.0 4.43 65 65 A 28 ILE HB A 29 SER H 1.0 0.0 3.59 66 66 A 25 GLN HA A 29 SER H 1.0 0.0 5.37 67 67 A 57 GLU HA A 37 VAL H 1.0 0.0 3.42 68 68 A 36 ARG HA A 37 VAL H 1.0 0.0 3.22 69 69 A 52 ARG H A 53 VAL H 1.0 0.0 3.79 70 70 A 14 VAL HB A 15 SER H 1.0 0.0 3.64 71 71 A 24 ASN HD2y A 26 SER H 1.0 0.0 3.61 72 72 A 26 SER H A 26 SER HBx 1.0 0.0 2.88 73 73 A 40 GLY H A 41 ARG H 1.0 0.0 3.71 74 74 A 41 ARG H A 42 CYS H 1.0 0.0 3.27 75 75 A 3 ALA H A 4 ILE H 1.0 0.0 3.93 76 76 A 4 ILE H A 5 ASP H 1.0 0.0 3.35 77 77 A 4 ILE HB A 4 ILE H 1.0 0.0 3.50 78 78 A 49 THR H A 48 TYR H 1.0 0.0 3.49 79 79 A 48 TYR H A 47 LEU H 1.0 0.0 3.45 80 80 A 45 ILE HA A 48 TYR H 1.0 0.0 4.35 81 81 A 48 TYR H A 47 LEU HBy 1.0 0.0 4.72 82 82 A 35 GLY H A 34 ARG H 1.0 0.0 3.49 83 83 A 34 ARG H A 33 ALA H 1.0 0.0 3.72 84 84 A 18 ALA HA A 21 LEU H 1.0 0.0 4.77 85 85 A 21 LEU HG A 21 LEU H 1.0 0.0 3.82 86 86 A 44 ASP H A 46 GLU H 1.0 0.0 5.02 87 87 A 24 ASN H A 24 ASN HBx 1.0 0.0 3.96 88 88 A 23 VAL HB A 24 ASN H 1.0 0.0 3.21 89 89 A 8 ILE HA A 11 LEU H 1.0 0.0 4.98 90 90 A 11 LEU H A 10 LYS HBx 1.0 0.0 4.07 91 91 A 11 LEU HG A 11 LEU H 1.0 0.0 3.55 92 92 A 9 ASN H A 10 LYS H 1.0 0.0 3.78 93 93 A 6 ILE HA A 9 ASN H 1.0 0.0 4.43 94 94 A 5 ASP HA A 9 ASN H 1.0 0.0 4.75 95 95 A 33 ALA H A 32 ARG H 1.0 0.0 3.70 96 96 A 33 ALA HA A 32 ARG H 1.0 0.0 5.05 97 97 A 32 ARG H A 31 TRP HBx 1.0 0.0 3.97 98 98 A 4 ILE HA A 8 ILE H 1.0 0.0 4.94 99 99 A 42 CYS H A 43 ILE H 1.0 0.0 4.05 100 100 A 44 ASP H A 43 ILE H 1.0 0.0 3.84 101 101 A 43 ILE H A 42 CYS HBx 1.0 0.0 4.61 102 102 A 43 ILE HB A 43 ILE H 1.0 0.0 3.45 103 103 A 46 GLU H A 45 ILE H 1.0 0.0 3.56 104 104 A 44 ASP H A 45 ILE H 1.0 0.0 3.45 105 105 A 42 CYS HA A 45 ILE H 1.0 0.0 3.77 106 106 A 45 ILE HB A 45 ILE H 1.0 0.0 3.34 107 107 A 17 LEU H A 19 ALA H 1.0 0.0 5.34 108 108 A 15 SER HA A 19 ALA H 1.0 0.0 4.99 109 109 A 6 ILE H A 5 ASP HBx 1.0 0.0 4.08 110 110 A 6 ILE H A 5 ASP HBy 1.0 0.0 4.08 111 111 A 6 ILE HB A 6 ILE H 1.0 0.0 3.31 112 112 A 6 ILE HD1% A 6 ILE H 1.0 0.0 4.63 113 113 A 47 LEU H A 46 GLU H 1.0 0.0 3.91 114 114 A 44 ASP HA A 47 LEU H 1.0 0.0 5.03 115 115 A 47 LEU HG A 47 LEU H 1.0 0.0 3.60 116 116 A 47 LEU H A 47 LEU HBx 1.0 0.0 3.78 117 117 A 47 LEU H A 47 LEU HBy 1.0 0.0 3.78 118 118 A 2 ASN HA A 3 ALA H 1.0 0.0 3.35 119 119 A 3 ALA H A 2 ASN HBx 1.0 0.0 3.62 120 120 A 48 TYR H A 50 ASP H 1.0 0.0 4.77 121 121 A 49 THR H A 50 ASP H 1.0 0.0 3.64 122 122 A 43 ILE HB A 44 ASP H 1.0 0.0 4.26 123 123 A 56 ARG HA A 57 GLU H 1.0 0.0 3.08 124 124 A 57 GLU H A 57 GLU HGx 1.0 0.0 4.54 125 125 A 57 GLU H A 57 GLU HGy 1.0 0.0 4.54 126 126 A 17 LEU H A 16 ALA H 1.0 0.0 3.75 127 127 A 14 VAL HA A 17 LEU H 1.0 0.0 4.56 128 128 A 17 LEU H A 17 LEU HBy 1.0 0.0 3.58 129 129 A 17 LEU H A 17 LEU HBx 1.0 0.0 3.58 130 130 A 61 ASP H A 62 VAL H 1.0 0.0 4.54 131 131 A 60 PRO HA A 61 ASP H 1.0 0.0 3.43 132 132 A 11 LEU H A 10 LYS H 1.0 0.0 3.73 133 133 A 6 ILE HA A 10 LYS H 1.0 0.0 5.44 134 134 A 17 LEU HA A 20 ALA H 1.0 0.0 4.65 135 135 A 18 ALA HA A 20 ALA H 1.0 0.0 5.94 136 136 A 24 ASN HA A 25 GLN H 1.0 0.0 2.75 137 137 A 25 GLN H A 24 ASN HBx 1.0 0.0 3.59 138 138 A 30 GLN H A 31 TRP H 1.0 0.0 3.64 139 139 A 31 TRP HD1 A 31 TRP H 1.0 0.0 3.61 140 140 A 31 TRP H A 31 TRP HBx 1.0 0.0 3.86 141 141 A 28 ILE HA A 31 TRP H 1.0 0.0 4.45 142 142 A 19 ALA H A 18 ALA H 1.0 0.0 3.89 143 143 A 17 LEU H A 18 ALA H 1.0 0.0 3.56 144 144 A 20 ALA H A 18 ALA H 1.0 0.0 5.46 145 145 A 15 SER HA A 18 ALA H 1.0 0.0 4.39 146 146 A 28 ILE HD1% A 18 ALA H 1.0 0.0 4.87 147 147 A 14 VAL H A 15 SER H 1.0 0.0 3.66 148 148 A 13 SER HA A 14 VAL H 1.0 0.0 2.98 149 149 A 15 SER HA A 14 VAL H 1.0 0.0 4.92 150 150 A 14 VAL HB A 14 VAL H 1.0 0.0 3.17 151 151 A 38 PRO HA A 39 ALA H 1.0 0.0 3.14 152 152 A 40 GLY H A 39 ALA H 1.0 0.0 4.97 153 153 A 58 LEU HA A 59 ARG H 1.0 0.0 3.13 154 154 A 62 VAL HB A 63 PHE H 1.0 0.0 5.07 155 155 A 29 SER HA A 30 GLN H 1.0 0.0 3.57 156 156 A 6 ILE HB A 7 ALA H 1.0 0.0 3.74 157 157 A 14 VAL H A 16 ALA H 1.0 0.0 5.80 158 158 A 13 SER H A 16 ALA H 1.0 0.0 5.39 159 159 A 13 SER HA A 16 ALA H 1.0 0.0 5.76 160 160 A 14 VAL HA A 16 ALA H 1.0 0.0 5.85 161 161 A 27 ALA H A 26 SER H 1.0 0.0 3.20 162 162 A 25 GLN HA A 27 ALA H 1.0 0.0 5.37 163 163 A 27 ALA H A 24 ASN HBy 1.0 0.0 5.05 164 164 A 53 VAL H A 54 GLU H 1.0 0.0 5.38 165 165 A 53 VAL HA A 54 GLU H 1.0 0.0 3.08 166 166 A 54 GLU HA A 55 CYS H 1.0 0.0 3.02 167 167 A 55 CYS H A 55 CYS HBx 1.0 0.0 3.79 168 168 A 55 CYS H A 55 CYS HBy 1.0 0.0 3.79 169 169 A 27 ALA HA A 31 TRP HE1 1.0 0.0 5.07 170 170 A 31 TRP HE1 A 38 PRO HGx 1.0 0.0 4.47 171 171 A 31 TRP HE1 A 38 PRO HGy 1.0 0.0 4.47 172 172 A 55 CYS HA A 56 ARG H 1.0 0.0 3.00 173 173 A 6 ILE H A 7 ALA H 1.0 0.0 3.55 174 174 A 13 SER HA A 15 SER H 1.0 0.0 4.65 175 175 A 15 SER H A 16 ALA H 1.0 0.0 3.84 176 176 A 21 LEU H A 20 ALA H 1.0 0.0 3.61 177 177 A 29 SER H A 30 GLN H 1.0 0.0 3.65 178 178 A 54 GLU H A 55 CYS H 1.0 0.0 4.93 179 179 A 37 VAL H A 58 LEU H 1.0 0.0 4.83 180 180 A 4 ILE HD1% A 4 ILE H 1.0 0.0 3.38 181 181 A 62 VAL H A 63 PHE H 1.0 0.0 4.54 182 182 A 41 ARG HA A 41 ARG HE 1.0 0.0 3.53 183 183 A 41 ARG HE A 44 ASP H 1.0 0.0 3.54 184 184 A 32 ARG HE A 32 ARG HGx 1.0 0.0 3.74 185 185 A 8 ILE HD1% A 32 ARG HE 1.0 0.0 4.20 186 186 A 15 SER HA A 25 GLN HE2y 1.0 0.0 4.54 187 187 A 15 SER HA A 25 GLN HE2x 1.0 0.0 4.83 188 188 A 27 ALA HA A 31 TRP H 1.0 0.0 4.54 189 189 A 32 ARG H A 31 TRP H 1.0 0.0 3.69 190 190 A 31 TRP H A 31 TRP HBy 1.0 0.0 3.86 191 191 A 12 GLY H A 13 SER H 1.0 0.0 3.71 192 192 A 2 ASN HD2y A 2 ASN HBy 1.0 0.0 3.54 193 193 A 2 ASN HD2y A 35 GLY HAy 1.0 0.0 4.09 194 194 A 2 ASN HD2y A 35 GLY HAx 1.0 0.0 4.09 195 195 A 33 ALA HA A 2 ASN HD2x 1.0 0.0 4.23 196 196 A 32 ARG HA A 2 ASN HD2x 1.0 0.0 4.05 197 197 A 2 ASN HD2x A 2 ASN HBy 1.0 0.0 3.87 198 198 A 6 ILE HA A 9 ASN HD2y 1.0 0.0 5.00 199 199 A 16 ALA H A 18 ALA H 1.0 0.0 5.38 200 200 A 40 GLY H A 42 CYS H 1.0 0.0 4.91 201 201 A 29 SER H A 29 SER HBx 1.0 0.0 3.61 202 202 A 32 ARG HE A 32 ARG HGy 1.0 0.0 3.74 203 203 A 64 GLY H A 65 ALA H 1.0 0.0 4.39 204 204 A 51 GLY H A 50 ASP HBy 1.0 0.0 5.64 205 205 A 5 ASP H A 5 ASP HBx 1.0 0.0 4.02 206 206 A 5 ASP H A 5 ASP HBy 1.0 0.0 4.02 207 207 A 10 LYS HA A 12 GLY H 1.0 0.0 5.43 208 208 A 12 GLY H A 11 LEU HBy 1.0 0.0 4.70 209 209 A 22 GLY H A 21 LEU HBx 1.0 0.0 4.55 210 210 A 22 GLY H A 21 LEU HBy 1.0 0.0 4.55 211 211 A 22 GLY H A 21 LEU H 1.0 0.0 3.46 212 212 A 22 GLY H A 20 ALA H 1.0 0.0 4.90 213 213 A 36 ARG H A 34 ARG H 1.0 0.0 4.70 214 214 A 51 GLY H A 50 ASP HBx 1.0 0.0 5.64 215 215 A 27 ALA H A 24 ASN HBx 1.0 0.0 5.05 216 216 A 58 LEU H A 57 GLU HGy 1.0 0.0 6.00 217 217 A 58 LEU H A 57 GLU HGx 1.0 0.0 6.00 218 218 A 42 CYS H A 42 CYS HBx 1.0 0.0 3.58 219 219 A 42 CYS H A 42 CYS HBy 1.0 0.0 3.58 220 220 A 17 LEU HG A 17 LEU H 1.0 0.0 4.59 221 221 A 15 SER HA A 17 LEU H 1.0 0.0 5.22 222 222 A 13 SER H A 17 LEU H 1.0 0.0 5.23 223 223 A 19 ALA H A 20 ALA H 1.0 0.0 3.39 224 224 A 8 ILE H A 7 ALA H 1.0 0.0 3.63 225 225 A 9 ASN H A 8 ILE H 1.0 0.0 3.56 226 226 A 8 ILE H A 6 ILE H 1.0 0.0 4.98 227 227 A 48 TYR H A 47 LEU HBx 1.0 0.0 4.72 228 228 A 11 LEU H A 10 LYS HBy 1.0 0.0 4.07 229 229 A 8 ILE HB A 8 ILE H 1.0 0.0 3.18 230 230 A 10 LYS H A 8 ILE H 1.0 0.0 4.61 231 231 A 43 ILE H A 42 CYS HBy 1.0 0.0 4.61 232 232 A 30 GLN H A 29 SER HBx 1.0 0.0 4.15 233 233 A 32 ARG H A 30 GLN H 1.0 0.0 5.33 234 234 A 28 ILE H A 30 GLN H 1.0 0.0 5.77 235 235 A 31 TRP HD1 A 30 GLN H 1.0 0.0 5.87 236 236 A 27 ALA H A 30 GLN H 1.0 0.0 5.81 237 237 A 32 ARG H A 31 TRP HBy 1.0 0.0 3.97 238 238 A 10 LYS H A 10 LYS HBy 1.0 0.0 3.51 239 239 A 10 LYS H A 10 LYS HBx 1.0 0.0 3.51 240 240 A 23 VAL H A 21 LEU HBx 1.0 0.0 5.08 241 241 A 23 VAL H A 21 LEU HBy 1.0 0.0 5.08 242 242 A 34 ARG H A 34 ARG HBy 1.0 0.0 3.47 243 243 A 34 ARG H A 34 ARG HBx 1.0 0.0 3.47 244 244 A 35 GLY H A 34 ARG HGy 1.0 0.0 4.55 245 245 A 35 GLY H A 34 ARG HGx 1.0 0.0 4.55 246 246 A 35 GLY H A 34 ARG HBy 1.0 0.0 4.11 247 247 A 35 GLY H A 34 ARG HBx 1.0 0.0 4.11 248 248 A 36 ARG H A 34 ARG HGx 1.0 0.0 4.00 249 249 A 36 ARG H A 34 ARG HGy 1.0 0.0 4.00 250 250 A 36 ARG H A 34 ARG HBy 1.0 0.0 4.16 251 251 A 36 ARG H A 34 ARG HBx 1.0 0.0 4.16 252 252 A 2 ASN HD2y A 2 ASN HBx 1.0 0.0 3.54 253 253 A 2 ASN HD2x A 2 ASN HBx 1.0 0.0 3.87 254 254 A 3 ALA H A 2 ASN HBy 1.0 0.0 3.62 255 255 A 4 ILE H A 2 ASN HBx 1.0 0.0 4.73 256 256 A 4 ILE H A 2 ASN HBy 1.0 0.0 4.73 257 257 A 23 VAL H A 24 ASN H 1.0 0.0 4.92 258 258 A 24 ASN H A 24 ASN HBy 1.0 0.0 3.96 259 259 A 25 GLN H A 24 ASN HBy 1.0 0.0 3.59 260 260 A 35 GLY H A 33 ALA H 1.0 0.0 5.23 261 261 A 61 ASP H A 60 PRO HGy 1.0 0.0 5.25 262 262 A 61 ASP H A 60 PRO HGx 1.0 0.0 5.25 263 263 A 55 CYS HA A 3 ALA H 1.0 0.0 5.26 264 264 A 3 ALA H A 5 ASP H 1.0 0.0 5.65 265 265 A 6 ILE HB A 3 ALA H 1.0 0.0 5.08 266 266 A 53 VAL HB A 3 ALA H 1.0 0.0 5.24 267 267 A 2 ASN HA A 4 ILE H 1.0 0.0 5.56 268 268 A 32 ARG HA A 4 ILE H 1.0 0.0 5.40 269 269 A 5 ASP HA A 4 ILE H 1.0 0.0 5.97 270 270 A 49 THR HB A 7 ALA H 1.0 0.0 6.00 271 271 A 49 THR HA A 7 ALA H 1.0 0.0 6.00 272 272 A 4 ILE HA A 7 ALA H 1.0 0.0 4.35 273 273 A 26 SER H A 25 GLN H 1.0 0.0 3.86 274 274 A 24 ASN H A 25 GLN H 1.0 0.0 4.76 275 275 A 25 GLN HE2x A 24 ASN H 1.0 0.0 6.00 276 276 A 11 LEU H A 13 SER H 1.0 0.0 5.18 277 277 A 27 ALA H A 24 ASN H 1.0 0.0 5.58 278 278 A 27 ALA H A 29 SER H 1.0 0.0 5.38 279 279 A 31 TRP HE1 A 31 TRP H 1.0 0.0 5.89 280 280 A 31 TRP HE3 A 32 ARG H 1.0 0.0 5.67 281 281 A 31 TRP HD1 A 32 ARG H 1.0 0.0 5.68 282 282 A 34 ARG H A 32 ARG H 1.0 0.0 5.18 283 283 A 35 GLY H A 32 ARG H 1.0 0.0 5.75 284 284 A 2 ASN HD2x A 35 GLY H 1.0 0.0 4.96 285 285 A 37 VAL H A 56 ARG H 1.0 0.0 5.58 286 286 A 47 LEU H A 45 ILE H 1.0 0.0 5.51 287 287 A 57 GLU H A 56 ARG H 1.0 0.0 5.33 288 288 A 57 GLU H A 58 LEU H 1.0 0.0 4.95 289 289 A 31 TRP HD1 A 31 TRP HA 1.0 0.0 3.51 stop_ save_ save_DYANA/DIANA_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_7 _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 28 ILE HA A 28 ILE HD1% 1.0 . 3.91 2 2 A 28 ILE HD1% A 18 ALA HA 1.0 . 4.28 3 3 A 28 ILE HD1% A 31 TRP HZ3 1.0 . 4.85 4 4 A 28 ILE HD1% A 31 TRP HE3 1.0 . 4.76 5 5 A 28 ILE HD1% A 17 LEU HG 1.0 . 4.74 6 6 A 28 ILE HD1% A 28 ILE HG2% 1.0 . 3.71 7 7 A 45 ILE HA A 45 ILE HD1% 1.0 . 4.03 8 8 A 31 TRP HZ3 A 45 ILE HD1% 1.0 . 4.57 9 9 A 6 ILE HD1% A 1 MET HBy 1.0 . 4.61 10 9 A 6 ILE HD1% A 1 MET HBx 1.0 . 4.61 11 10 A 43 ILE HB A 43 ILE HD1% 1.0 . 3.92 12 11 A 43 ILE HD1% A 43 ILE HA 1.0 . 4.73 13 12 A 8 ILE HD1% A 32 ARG HDx 1.0 . 4.38 14 13 A 8 ILE HD1% A 14 VAL HA 1.0 . 4.79 15 14 A 4 ILE HB A 4 ILE HD1% 1.0 . 3.66 16 15 A 4 ILE HD1% A 32 ARG HA 1.0 . 4.15 17 16 A 4 ILE HD1% A 4 ILE HA 1.0 . 4.13 18 17 A 8 ILE HG2% A 14 VAL HG2% 1.0 . 3.54 19 18 A 8 ILE HA A 8 ILE HG2% 1.0 . 3.72 20 19 A 14 VAL HA A 8 ILE HG2% 1.0 . 4.30 21 20 A 13 SER HA A 8 ILE HG2% 1.0 . 4.16 22 21 A 43 ILE HA A 43 ILE HG2% 1.0 . 3.85 23 22 A 6 ILE HA A 6 ILE HG2% 1.0 . 3.77 24 23 A 6 ILE HD1% A 6 ILE HG2% 1.0 . 3.72 25 24 A 4 ILE HA A 45 ILE HG2% 1.0 . 4.74 26 25 A 45 ILE HA A 45 ILE HG2% 1.0 . 3.97 27 26 A 42 CYS HA A 45 ILE HG2% 1.0 . 4.14 28 27 A 28 ILE HD1% A 23 VAL HG2% 1.0 . 3.64 29 28 A 23 VAL HA A 23 VAL HG2% 1.0 . 4.21 30 29 A 31 TRP HH2 A 23 VAL HG2% 1.0 . 4.42 31 30 A 31 TRP HZ2 A 23 VAL HG2% 1.0 . 4.91 32 31 A 28 ILE HG2% A 23 VAL HG2% 1.0 . 4.02 33 32 A 28 ILE HA A 28 ILE HG2% 1.0 . 3.81 34 33 A 14 VAL HA A 28 ILE HG2% 1.0 . 4.35 35 34 A 31 TRP HH2 A 23 VAL HG1% 1.0 . 4.00 36 35 A 31 TRP HZ2 A 23 VAL HG1% 1.0 . 4.14 37 36 A 3 ALA HB% A 53 VAL HG2% 1.0 . 3.65 38 37 A 3 ALA HB% A 53 VAL HG1% 1.0 . 3.63 39 38 A 4 ILE HA A 4 ILE HG2% 1.0 . 3.66 40 39 A 31 TRP HE3 A 23 VAL HG1% 1.0 . 4.91 41 40 A 3 ALA HA A 53 VAL HG2% 1.0 . 4.18 42 41 A 3 ALA HA A 53 VAL HG1% 1.0 . 4.00 43 42 A 53 VAL HA A 53 VAL HG2% 1.0 . 3.65 44 43 A 53 VAL HA A 53 VAL HG1% 1.0 . 3.97 45 44 A 55 CYS HA A 53 VAL HG1% 1.0 . 4.32 46 45 A 55 CYS HA A 53 VAL HG2% 1.0 . 4.77 47 46 A 2 ASN HA A 53 VAL HG1% 1.0 . 4.33 48 47 A 2 ASN HA A 53 VAL HG2% 1.0 . 4.70 49 48 A 14 VAL HA A 14 VAL HG1% 1.0 . 3.44 50 49 A 15 SER HA A 14 VAL HG1% 1.0 . 4.21 51 50 A 14 VAL HG1% A 18 ALA HB% 1.0 . 4.08 52 51 A 62 VAL HA A 62 VAL HG1% 1.0 . 3.84 53 52 A 37 VAL HG2% A 57 GLU HGx 1.0 . 4.62 54 53 A 39 ALA HA A 37 VAL HG2% 1.0 . 4.61 55 54 A 7 ALA HB% A 11 LEU HD2% 1.0 . 3.83 56 55 A 11 LEU HA A 11 LEU HD2% 1.0 . 3.29 57 56 A 17 LEU HA A 11 LEU HD2% 1.0 . 4.87 58 57 A 11 LEU HD2% A 48 TYR HE% 1.0 . 4.08 59 58 A 11 LEU HD2% A 48 TYR HD% 1.0 . 4.18 60 59 A 11 LEU HA A 11 LEU HD1% 1.0 . 4.35 61 60 A 48 TYR HE% A 11 LEU HD1% 1.0 . 4.56 62 61 A 48 TYR HD% A 11 LEU HD1% 1.0 . 4.74 63 62 A 45 ILE HG2% A 49 THR HG2% 1.0 . 3.27 64 63 A 7 ALA HB% A 49 THR HG2% 1.0 . 3.55 65 64 A 6 ILE HB A 49 THR HG2% 1.0 . 3.72 66 65 A 6 ILE HG2% A 49 THR HG2% 1.0 . 3.59 67 66 A 3 ALA HA A 49 THR HG2% 1.0 . 4.09 68 67 A 17 LEU HG A 14 VAL HG2% 1.0 . 4.74 69 68 A 28 ILE HG2% A 14 VAL HG2% 1.0 . 3.00 70 69 A 14 VAL HA A 14 VAL HG2% 1.0 . 3.49 71 70 A 21 LEU HD2% A 44 ASP HBx 1.0 . 3.53 72 70 A 21 LEU HD2% A 44 ASP HBy 1.0 . 3.53 73 71 A 45 ILE HA A 21 LEU HD2% 1.0 . 4.80 74 72 A 21 LEU HA A 21 LEU HD2% 1.0 . 3.44 75 73 A 31 TRP HH2 A 21 LEU HD2% 1.0 . 4.47 76 74 A 48 TYR HD% A 21 LEU HD2% 1.0 . 4.69 77 75 A 28 ILE HD1% A 21 LEU HD1% 1.0 . 3.95 78 76 A 45 ILE HG2% A 21 LEU HD1% 1.0 . 3.86 79 77 A 17 LEU HG A 21 LEU HD1% 1.0 . 3.73 80 78 A 21 LEU HD1% A 21 LEU HBx 1.0 . 3.72 81 79 A 21 LEU HD1% A 44 ASP HBx 1.0 . 4.60 82 79 A 44 ASP HBy A 21 LEU HD1% 1.0 . 4.60 83 80 A 21 LEU HA A 21 LEU HD1% 1.0 . 4.65 84 81 A 31 TRP HH2 A 21 LEU HD1% 1.0 . 4.36 85 82 A 28 ILE HD1% A 17 LEU HD2% 1.0 . 3.96 86 83 A 17 LEU HD2% A 17 LEU HBx 1.0 . 3.63 87 84 A 8 ILE HA A 17 LEU HD2% 1.0 . 4.46 88 85 A 17 LEU HA A 17 LEU HD2% 1.0 . 4.97 89 86 A 58 LEU HA A 58 LEU HD2% 1.0 . 3.36 90 87 A 58 LEU HD2% A 36 ARG HGx 1.0 . 3.30 91 87 A 58 LEU HD2% A 36 ARG HGy 1.0 . 3.30 92 88 A 45 ILE HD1% A 37 VAL HG1% 1.0 . 3.23 93 89 A 37 VAL HA A 37 VAL HG1% 1.0 . 3.61 94 90 A 36 ARG HA A 37 VAL HG1% 1.0 . 4.80 95 91 A 31 TRP HE3 A 37 VAL HG1% 1.0 . 3.94 96 92 A 48 TYR HD% A 17 LEU HD1% 1.0 . 4.30 97 93 A 48 TYR HE% A 17 LEU HD1% 1.0 . 4.83 98 94 A 17 LEU HA A 17 LEU HD1% 1.0 . 3.44 99 95 A 21 LEU HG A 17 LEU HD1% 1.0 . 4.22 100 96 A 11 LEU HD1% A 17 LEU HD1% 1.0 . 3.63 101 97 A 58 LEU HD1% A 36 ARG HGx 1.0 . 3.32 102 97 A 36 ARG HGy A 58 LEU HD1% 1.0 . 3.32 103 98 A 58 LEU HA A 58 LEU HD1% 1.0 . 4.55 104 99 A 23 VAL HG2% A 27 ALA HB% 1.0 . 3.87 105 100 A 23 VAL HB A 27 ALA HB% 1.0 . 3.74 106 101 A 59 ARG HA A 39 ALA HB% 1.0 . 4.94 107 102 A 18 ALA HB% A 17 LEU HD2% 1.0 . 4.32 108 103 A 23 VAL HG2% A 18 ALA HB% 1.0 . 4.04 109 104 A 28 ILE HD1% A 18 ALA HB% 1.0 . 4.41 110 105 A 18 ALA HB% A 25 GLN HGx 1.0 . 4.57 111 106 A 19 ALA HA A 18 ALA HB% 1.0 . 4.75 112 107 A 55 CYS HA A 3 ALA HB% 1.0 . 3.53 113 108 A 33 ALA HB% A 30 GLN HBx 1.0 . 4.85 114 108 A 30 GLN HBy A 33 ALA HB% 1.0 . 4.85 115 109 A 7 ALA HB% A 17 LEU HD2% 1.0 . 3.26 116 110 A 7 ALA HB% A 17 LEU HD1% 1.0 . 3.78 117 111 A 7 ALA HB% A 48 TYR HBx 1.0 . 4.27 118 112 A 7 ALA HB% A 48 TYR HD% 1.0 . 4.19 119 113 A 39 ALA HB% A 57 GLU HBx 1.0 . 4.42 120 113 A 39 ALA HB% A 57 GLU HBy 1.0 . 4.42 121 114 A 36 ARG HDx A 58 LEU HD2% 1.0 . 4.28 122 115 A 37 VAL HG1% A 31 TRP HBx 1.0 . 4.09 123 116 A 31 TRP HZ3 A 37 VAL HG1% 1.0 . 5.33 124 117 A 31 TRP HE3 A 21 LEU HD1% 1.0 . 5.14 125 118 A 48 TYR HD% A 21 LEU HD1% 1.0 . 5.23 126 119 A 31 TRP HZ3 A 21 LEU HD2% 1.0 . 3.69 127 120 A 48 TYR HE% A 21 LEU HD2% 1.0 . 3.78 128 121 A 31 TRP HZ3 A 21 LEU HD1% 1.0 . 3.62 129 122 A 48 TYR HE% A 21 LEU HD1% 1.0 . 3.63 130 123 A 4 ILE HD1% A 36 ARG HA 1.0 . 5.09 131 124 A 31 TRP HE3 A 4 ILE HD1% 1.0 . 5.09 132 125 A 45 ILE HG2% A 48 TYR HD% 1.0 . 5.30 133 126 A 31 TRP HZ3 A 23 VAL HG2% 1.0 . 5.18 134 127 A 4 ILE HG2% A 31 TRP HBx 1.0 . 4.61 135 128 A 7 ALA HA A 49 THR HG2% 1.0 . 4.58 136 129 A 1 MET HA A 1 MET HGx 1.0 . 3.98 137 129 A 1 MET HA A 1 MET HGy 1.0 . 3.98 138 130 A 4 ILE HD1% A 2 ASN HA 1.0 . 4.20 139 131 A 3 ALA HA A 6 ILE HB 1.0 . 3.80 140 132 A 3 ALA HB% A 56 ARG HDx 1.0 . 4.87 141 132 A 3 ALA HB% A 56 ARG HDy 1.0 . 4.87 142 133 A 4 ILE HA A 7 ALA HB% 1.0 . 4.09 143 134 A 45 ILE HD1% A 4 ILE HA 1.0 . 3.90 144 135 A 4 ILE HB A 32 ARG HA 1.0 . 3.65 145 136 A 45 ILE HD1% A 4 ILE HB 1.0 . 3.79 146 137 A 5 ASP HA A 8 ILE HB 1.0 . 4.29 147 138 A 8 ILE HD1% A 5 ASP HA 1.0 . 4.04 148 139 A 6 ILE HA A 9 ASN HBx 1.0 . 4.24 149 139 A 6 ILE HA A 9 ASN HBy 1.0 . 4.24 150 140 A 6 ILE HD1% A 6 ILE HA 1.0 . 4.20 151 141 A 6 ILE HD1% A 6 ILE HB 1.0 . 3.74 152 142 A 8 ILE HD1% A 8 ILE HA 1.0 . 4.42 153 143 A 15 SER HA A 25 GLN HBx 1.0 . 4.63 154 143 A 15 SER HA A 25 GLN HBy 1.0 . 4.63 155 144 A 15 SER HA A 18 ALA HB% 1.0 . 3.60 156 145 A 15 SER HBy A 25 GLN HBx 1.0 . 4.50 157 145 A 15 SER HBx A 25 GLN HBx 1.0 . 4.50 158 145 A 25 GLN HBy A 15 SER HBy 1.0 . 4.50 159 145 A 25 GLN HBy A 15 SER HBx 1.0 . 4.50 160 146 A 18 ALA HB% A 15 SER HBy 1.0 . 4.72 161 146 A 18 ALA HB% A 15 SER HBx 1.0 . 4.72 162 147 A 14 VAL HG1% A 15 SER HBy 1.0 . 4.79 163 147 A 14 VAL HG1% A 15 SER HBx 1.0 . 4.79 164 148 A 17 LEU HA A 11 LEU HD1% 1.0 . 3.47 165 149 A 18 ALA HA A 23 VAL HG2% 1.0 . 3.57 166 150 A 21 LEU HD2% A 21 LEU HBx 1.0 . 3.79 167 151 A 23 VAL HG2% A 21 LEU HBx 1.0 . 3.98 168 152 A 23 VAL HA A 23 VAL HG1% 1.0 . 3.41 169 153 A 24 ASN HA A 18 ALA HB% 1.0 . 4.34 170 154 A 25 GLN HA A 14 VAL HG1% 1.0 . 4.30 171 155 A 25 GLN HA A 18 ALA HB% 1.0 . 3.74 172 156 A 27 ALA HA A 30 GLN HBx 1.0 . 3.90 173 156 A 27 ALA HA A 30 GLN HBy 1.0 . 3.90 174 157 A 28 ILE HA A 31 TRP HE3 1.0 . 5.23 175 158 A 28 ILE HA A 31 TRP HBx 1.0 . 5.01 176 159 A 30 GLN HA A 33 ALA HB% 1.0 . 4.03 177 160 A 31 TRP HD1 A 30 GLN HBx 1.0 . 3.77 178 160 A 31 TRP HD1 A 30 GLN HBy 1.0 . 3.77 179 161 A 10 LYS HA A 10 LYS HDx 1.0 . 5.21 180 162 A 34 ARG HA A 34 ARG HDx 1.0 . 4.02 181 163 A 58 LEU HD1% A 36 ARG HBx 1.0 . 5.02 182 164 A 58 LEU HD2% A 36 ARG HBx 1.0 . 4.89 183 165 A 38 PRO HA A 58 LEU HD1% 1.0 . 4.42 184 166 A 37 VAL HB A 38 PRO HDx 1.0 . 4.42 185 167 A 37 VAL HG1% A 38 PRO HDx 1.0 . 5.34 186 168 A 39 ALA HA A 57 GLU HBx 1.0 . 3.65 187 168 A 39 ALA HA A 57 GLU HBy 1.0 . 3.65 188 169 A 39 ALA HA A 57 GLU HGx 1.0 . 5.30 189 170 A 39 ALA HA A 58 LEU HA 1.0 . 4.85 190 171 A 41 ARG HA A 41 ARG HDx 1.0 . 4.17 191 172 A 41 ARG HA A 43 ILE HG2% 1.0 . 5.32 192 173 A 42 CYS HA A 45 ILE HB 1.0 . 3.69 193 174 A 42 CYS HA A 37 VAL HG2% 1.0 . 4.49 194 175 A 43 ILE HA A 46 GLU HBx 1.0 . 4.13 195 175 A 43 ILE HA A 46 GLU HBy 1.0 . 4.13 196 176 A 45 ILE HA A 48 TYR HD% 1.0 . 4.09 197 177 A 45 ILE HA A 48 TYR HE% 1.0 . 5.13 198 178 A 46 GLU HA A 49 THR HG2% 1.0 . 4.20 199 179 A 47 LEU HA A 48 TYR HD% 1.0 . 5.33 200 180 A 49 THR HB A 6 ILE HG2% 1.0 . 3.62 201 181 A 57 GLU HA A 37 VAL HG2% 1.0 . 4.08 202 182 A 58 LEU HD2% A 58 LEU HBx 1.0 . 4.03 203 183 A 60 PRO HA A 63 PHE HD% 1.0 . 5.40 204 184 A 60 PRO HA A 39 ALA HB% 1.0 . 4.28 205 185 A 46 GLU HA A 49 THR H 1.0 . 3.90 206 186 A 49 THR HG2% A 49 THR H 1.0 . 3.76 207 187 A 51 GLY H A 52 ARG H 1.0 . 3.94 208 188 A 51 GLY H A 53 VAL H 1.0 . 5.12 209 189 A 35 GLY H A 36 ARG H 1.0 . 3.58 210 190 A 32 ARG HA A 35 GLY H 1.0 . 4.70 211 191 A 4 ILE HD1% A 35 GLY H 1.0 . 4.72 212 192 A 11 LEU H A 12 GLY H 1.0 . 3.48 213 193 A 9 ASN HA A 12 GLY H 1.0 . 3.96 214 194 A 8 ILE HA A 12 GLY H 1.0 . 5.15 215 195 A 12 GLY H A 11 LEU HBx 1.0 . 4.70 216 196 A 8 ILE HG2% A 13 SER H 1.0 . 4.59 217 197 A 13 SER H A 16 ALA HB% 1.0 . 3.97 218 198 A 8 ILE HA A 13 SER H 1.0 . 5.18 219 199 A 13 SER H A 14 VAL H 1.0 . 5.08 220 200 A 20 ALA HA A 22 GLY H 1.0 . 4.05 221 201 A 22 GLY H A 19 ALA HB% 1.0 . 4.97 222 202 A 21 LEU HD1% A 22 GLY H 1.0 . 5.06 223 203 A 23 VAL HG2% A 22 GLY H 1.0 . 5.30 224 204 A 63 PHE HBx A 64 GLY H 1.0 . 5.33 225 205 A 39 ALA HA A 40 GLY H 1.0 . 2.92 226 206 A 40 GLY H A 57 GLU HBx 1.0 . 4.41 227 206 A 57 GLU HBy A 40 GLY H 1.0 . 4.41 228 207 A 39 ALA HB% A 40 GLY H 1.0 . 3.71 229 208 A 18 ALA HA A 23 VAL H 1.0 . 4.70 230 209 A 23 VAL HG2% A 23 VAL H 1.0 . 3.61 231 210 A 23 VAL HG1% A 23 VAL H 1.0 . 4.15 232 211 A 18 ALA HB% A 23 VAL H 1.0 . 5.13 233 212 A 27 ALA H A 28 ILE H 1.0 . 3.58 234 213 A 28 ILE H A 29 SER H 1.0 . 3.72 235 214 A 25 GLN HA A 28 ILE H 1.0 . 4.23 236 215 A 28 ILE HB A 28 ILE H 1.0 . 3.29 237 216 A 28 ILE HG2% A 28 ILE H 1.0 . 4.26 238 217 A 23 VAL HG2% A 28 ILE H 1.0 . 4.68 239 218 A 28 ILE HD1% A 28 ILE H 1.0 . 4.43 240 219 A 28 ILE HB A 29 SER H 1.0 . 3.59 241 220 A 25 GLN HA A 29 SER H 1.0 . 5.37 242 221 A 57 GLU HA A 37 VAL H 1.0 . 3.42 243 222 A 36 ARG HA A 37 VAL H 1.0 . 3.22 244 223 A 52 ARG H A 53 VAL H 1.0 . 3.79 245 224 A 14 VAL HB A 15 SER H 1.0 . 3.64 246 225 A 14 VAL HG2% A 15 SER H 1.0 . 4.78 247 226 A 14 VAL HG1% A 15 SER H 1.0 . 4.32 248 227 A 24 ASN HD2y A 26 SER H 1.0 . 3.61 249 228 A 26 SER H A 26 SER HBy 1.0 . 2.88 250 228 A 26 SER H A 26 SER HBx 1.0 . 2.88 251 229 A 26 SER H A 25 GLN HBx 1.0 . 3.31 252 229 A 25 GLN HBy A 26 SER H 1.0 . 3.31 253 230 A 40 GLY H A 41 ARG H 1.0 . 3.71 254 231 A 41 ARG H A 42 CYS H 1.0 . 3.27 255 232 A 37 VAL HG2% A 41 ARG H 1.0 . 4.49 256 233 A 3 ALA H A 4 ILE H 1.0 . 3.93 257 234 A 4 ILE H A 5 ASP H 1.0 . 3.35 258 235 A 4 ILE HB A 4 ILE H 1.0 . 3.50 259 236 A 3 ALA HB% A 4 ILE H 1.0 . 3.47 260 237 A 49 THR H A 48 TYR H 1.0 . 3.49 261 238 A 48 TYR H A 47 LEU H 1.0 . 3.45 262 239 A 45 ILE HA A 48 TYR H 1.0 . 4.35 263 240 A 35 GLY H A 34 ARG H 1.0 . 3.49 264 241 A 34 ARG H A 33 ALA H 1.0 . 3.72 265 242 A 33 ALA HB% A 34 ARG H 1.0 . 3.73 266 243 A 21 LEU H A 22 GLY HAx 1.0 . 4.63 267 243 A 21 LEU H A 22 GLY HAy 1.0 . 4.63 268 244 A 18 ALA HA A 21 LEU H 1.0 . 4.77 269 245 A 21 LEU HG A 21 LEU H 1.0 . 3.82 270 246 A 21 LEU H A 20 ALA HB% 1.0 . 3.61 271 247 A 23 VAL HG2% A 21 LEU H 1.0 . 5.18 272 248 A 17 LEU HD1% A 21 LEU H 1.0 . 5.37 273 249 A 44 ASP H A 46 GLU H 1.0 . 5.02 274 250 A 24 ASN H A 24 ASN HBx 1.0 . 3.96 275 251 A 23 VAL HB A 24 ASN H 1.0 . 3.21 276 252 A 27 ALA HB% A 24 ASN H 1.0 . 4.12 277 253 A 23 VAL HG1% A 24 ASN H 1.0 . 4.33 278 254 A 23 VAL HG2% A 24 ASN H 1.0 . 4.19 279 255 A 8 ILE HA A 11 LEU H 1.0 . 4.98 280 256 A 11 LEU H A 10 LYS HBx 1.0 . 4.07 281 257 A 11 LEU HG A 11 LEU H 1.0 . 3.55 282 258 A 11 LEU HD2% A 11 LEU H 1.0 . 4.37 283 259 A 11 LEU HD1% A 11 LEU H 1.0 . 5.01 284 260 A 9 ASN H A 10 LYS H 1.0 . 3.78 285 261 A 6 ILE HA A 9 ASN H 1.0 . 4.43 286 262 A 9 ASN H A 9 ASN HBx 1.0 . 3.30 287 262 A 9 ASN HBy A 9 ASN H 1.0 . 3.30 288 263 A 5 ASP HA A 9 ASN H 1.0 . 4.75 289 264 A 33 ALA H A 32 ARG H 1.0 . 3.70 290 265 A 33 ALA HA A 32 ARG H 1.0 . 5.05 291 266 A 32 ARG H A 31 TRP HBx 1.0 . 3.97 292 267 A 32 ARG H A 32 ARG HBx 1.0 . 3.08 293 267 A 32 ARG H A 32 ARG HBy 1.0 . 3.08 294 268 A 4 ILE HG2% A 32 ARG H 1.0 . 4.20 295 269 A 28 ILE HG2% A 32 ARG H 1.0 . 4.73 296 270 A 4 ILE HA A 8 ILE H 1.0 . 4.94 297 271 A 7 ALA HB% A 8 ILE H 1.0 . 3.77 298 272 A 42 CYS H A 43 ILE H 1.0 . 4.05 299 273 A 44 ASP H A 43 ILE H 1.0 . 3.84 300 274 A 43 ILE H A 42 CYS HBx 1.0 . 4.61 301 275 A 43 ILE HB A 43 ILE H 1.0 . 3.45 302 276 A 43 ILE HG2% A 43 ILE H 1.0 . 3.89 303 277 A 46 GLU H A 45 ILE H 1.0 . 3.56 304 278 A 44 ASP H A 45 ILE H 1.0 . 3.45 305 279 A 42 CYS HA A 45 ILE H 1.0 . 3.77 306 280 A 45 ILE H A 44 ASP HBx 1.0 . 3.63 307 280 A 44 ASP HBy A 45 ILE H 1.0 . 3.63 308 281 A 45 ILE HB A 45 ILE H 1.0 . 3.34 309 282 A 17 LEU H A 19 ALA H 1.0 . 5.34 310 283 A 15 SER HA A 19 ALA H 1.0 . 4.99 311 284 A 18 ALA HB% A 19 ALA H 1.0 . 3.63 312 285 A 19 ALA HB% A 19 ALA H 1.0 . 3.29 313 286 A 6 ILE H A 5 ASP HBx 1.0 . 4.08 314 287 A 6 ILE HB A 6 ILE H 1.0 . 3.31 315 288 A 6 ILE HG2% A 6 ILE H 1.0 . 4.44 316 289 A 6 ILE HD1% A 6 ILE H 1.0 . 4.63 317 290 A 47 LEU H A 46 GLU H 1.0 . 3.91 318 291 A 44 ASP HA A 47 LEU H 1.0 . 5.03 319 292 A 47 LEU H A 46 GLU HBx 1.0 . 4.30 320 292 A 46 GLU HBy A 47 LEU H 1.0 . 4.30 321 293 A 47 LEU HG A 47 LEU H 1.0 . 3.60 322 294 A 47 LEU H A 47 LEU HBx 1.0 . 3.78 323 295 A 2 ASN HA A 3 ALA H 1.0 . 3.35 324 296 A 3 ALA H A 2 ASN HBx 1.0 . 3.62 325 297 A 3 ALA HB% A 3 ALA H 1.0 . 3.26 326 298 A 48 TYR H A 50 ASP H 1.0 . 4.77 327 299 A 49 THR H A 50 ASP H 1.0 . 3.64 328 300 A 49 THR HG2% A 50 ASP H 1.0 . 4.93 329 301 A 6 ILE HG2% A 50 ASP H 1.0 . 4.90 330 302 A 44 ASP H A 44 ASP HBx 1.0 . 3.35 331 302 A 44 ASP HBy A 44 ASP H 1.0 . 3.35 332 303 A 43 ILE HB A 44 ASP H 1.0 . 4.26 333 304 A 56 ARG HA A 57 GLU H 1.0 . 3.08 334 305 A 57 GLU H A 57 GLU HGx 1.0 . 4.54 335 306 A 57 GLU H A 57 GLU HBx 1.0 . 3.32 336 306 A 57 GLU HBy A 57 GLU H 1.0 . 3.32 337 307 A 33 ALA H A 32 ARG HBx 1.0 . 3.60 338 307 A 33 ALA H A 32 ARG HBy 1.0 . 3.60 339 308 A 33 ALA HB% A 33 ALA H 1.0 . 3.28 340 309 A 17 LEU H A 16 ALA H 1.0 . 3.75 341 310 A 14 VAL HA A 17 LEU H 1.0 . 4.56 342 311 A 17 LEU HD2% A 17 LEU H 1.0 . 4.60 343 312 A 17 LEU HD1% A 17 LEU H 1.0 . 4.70 344 313 A 16 ALA HB% A 17 LEU H 1.0 . 3.61 345 314 A 17 LEU H A 17 LEU HBx 1.0 . 3.58 346 315 A 61 ASP H A 62 VAL H 1.0 . 4.54 347 316 A 60 PRO HA A 61 ASP H 1.0 . 3.43 348 317 A 61 ASP H A 61 ASP HBx 1.0 . 3.79 349 317 A 61 ASP H A 61 ASP HBy 1.0 . 3.79 350 318 A 11 LEU H A 10 LYS H 1.0 . 3.73 351 319 A 6 ILE HA A 10 LYS H 1.0 . 5.44 352 320 A 10 LYS H A 9 ASN HBx 1.0 . 3.89 353 320 A 9 ASN HBy A 10 LYS H 1.0 . 3.89 354 321 A 17 LEU HA A 20 ALA H 1.0 . 4.65 355 322 A 18 ALA HA A 20 ALA H 1.0 . 5.94 356 323 A 20 ALA HB% A 20 ALA H 1.0 . 3.12 357 324 A 11 LEU HD1% A 20 ALA H 1.0 . 5.68 358 325 A 17 LEU HD1% A 20 ALA H 1.0 . 5.83 359 326 A 21 LEU HD1% A 20 ALA H 1.0 . 6.00 360 327 A 18 ALA HB% A 20 ALA H 1.0 . 5.23 361 328 A 24 ASN HA A 25 GLN H 1.0 . 2.75 362 329 A 25 GLN H A 24 ASN HBx 1.0 . 3.59 363 330 A 25 GLN H A 25 GLN HBx 1.0 . 3.01 364 330 A 25 GLN HBy A 25 GLN H 1.0 . 3.01 365 331 A 18 ALA HB% A 25 GLN H 1.0 . 3.97 366 332 A 30 GLN H A 31 TRP H 1.0 . 3.64 367 333 A 31 TRP HD1 A 31 TRP H 1.0 . 3.61 368 334 A 31 TRP H A 31 TRP HBx 1.0 . 3.86 369 335 A 31 TRP H A 30 GLN HBx 1.0 . 3.53 370 335 A 30 GLN HBy A 31 TRP H 1.0 . 3.53 371 336 A 28 ILE HA A 31 TRP H 1.0 . 4.45 372 337 A 19 ALA H A 18 ALA H 1.0 . 3.89 373 338 A 17 LEU H A 18 ALA H 1.0 . 3.56 374 339 A 20 ALA H A 18 ALA H 1.0 . 5.46 375 340 A 15 SER HA A 18 ALA H 1.0 . 4.39 376 341 A 18 ALA HB% A 18 ALA H 1.0 . 3.28 377 342 A 28 ILE HG2% A 18 ALA H 1.0 . 4.87 378 343 A 23 VAL HG2% A 18 ALA H 1.0 . 5.61 379 344 A 28 ILE HD1% A 18 ALA H 1.0 . 4.87 380 345 A 14 VAL H A 15 SER H 1.0 . 3.66 381 346 A 13 SER HA A 14 VAL H 1.0 . 2.98 382 347 A 15 SER HA A 14 VAL H 1.0 . 4.92 383 348 A 14 VAL HB A 14 VAL H 1.0 . 3.17 384 349 A 14 VAL HG2% A 14 VAL H 1.0 . 3.29 385 350 A 14 VAL HG1% A 14 VAL H 1.0 . 4.06 386 351 A 8 ILE HG2% A 14 VAL H 1.0 . 4.09 387 352 A 38 PRO HA A 39 ALA H 1.0 . 3.14 388 353 A 39 ALA HB% A 39 ALA H 1.0 . 3.25 389 354 A 58 LEU HD1% A 39 ALA H 1.0 . 5.05 390 355 A 40 GLY H A 39 ALA H 1.0 . 4.97 391 356 A 58 LEU HA A 59 ARG H 1.0 . 3.13 392 357 A 58 LEU HD2% A 59 ARG H 1.0 . 4.24 393 358 A 58 LEU H A 57 GLU HBx 1.0 . 4.26 394 358 A 57 GLU HBy A 58 LEU H 1.0 . 4.26 395 359 A 39 ALA HB% A 58 LEU H 1.0 . 4.20 396 360 A 63 PHE HD% A 63 PHE H 1.0 . 5.29 397 361 A 62 VAL HB A 63 PHE H 1.0 . 5.07 398 362 A 29 SER HA A 30 GLN H 1.0 . 3.57 399 363 A 30 GLN H A 30 GLN HBx 1.0 . 3.21 400 363 A 30 GLN HBy A 30 GLN H 1.0 . 3.21 401 364 A 30 GLN H A 32 ARG HBx 1.0 . 5.23 402 364 A 32 ARG HBy A 30 GLN H 1.0 . 5.23 403 365 A 27 ALA HB% A 30 GLN H 1.0 . 5.65 404 366 A 65 ALA H A 65 ALA HB% 1.0 . 3.99 405 367 A 6 ILE HB A 7 ALA H 1.0 . 3.74 406 368 A 7 ALA HB% A 7 ALA H 1.0 . 3.34 407 369 A 6 ILE HG2% A 7 ALA H 1.0 . 4.39 408 370 A 14 VAL H A 16 ALA H 1.0 . 5.80 409 371 A 13 SER H A 16 ALA H 1.0 . 5.39 410 372 A 13 SER HA A 16 ALA H 1.0 . 5.76 411 373 A 14 VAL HA A 16 ALA H 1.0 . 5.85 412 374 A 16 ALA HB% A 16 ALA H 1.0 . 3.33 413 375 A 27 ALA H A 26 SER H 1.0 . 3.20 414 376 A 25 GLN HA A 27 ALA H 1.0 . 5.37 415 377 A 27 ALA HB% A 27 ALA H 1.0 . 3.32 416 378 A 53 VAL H A 54 GLU H 1.0 . 5.38 417 379 A 53 VAL HA A 54 GLU H 1.0 . 3.08 418 380 A 54 GLU H A 54 GLU HGx 1.0 . 4.54 419 380 A 54 GLU H A 54 GLU HGy 1.0 . 4.54 420 381 A 54 GLU H A 54 GLU HBx 1.0 . 3.24 421 381 A 54 GLU H A 54 GLU HBy 1.0 . 3.24 422 382 A 53 VAL HG2% A 54 GLU H 1.0 . 3.90 423 383 A 54 GLU HA A 55 CYS H 1.0 . 3.02 424 384 A 55 CYS H A 55 CYS HBx 1.0 . 3.79 425 385 A 55 CYS H A 54 GLU HGx 1.0 . 4.60 426 385 A 54 GLU HGy A 55 CYS H 1.0 . 4.60 427 386 A 55 CYS H A 54 GLU HBx 1.0 . 4.04 428 386 A 54 GLU HBy A 55 CYS H 1.0 . 4.04 429 387 A 3 ALA HB% A 55 CYS H 1.0 . 4.93 430 388 A 27 ALA HA A 31 TRP HE1 1.0 . 5.07 431 389 A 31 TRP HE1 A 38 PRO HGx 1.0 . 4.47 432 390 A 31 TRP HE1 A 27 ALA HB% 1.0 . 4.13 433 391 A 55 CYS HA A 56 ARG H 1.0 . 3.00 434 392 A 3 ALA HB% A 56 ARG H 1.0 . 4.38 435 393 A 56 ARG H A 56 ARG HDx 1.0 . 4.57 436 393 A 56 ARG HDy A 56 ARG H 1.0 . 4.57 437 394 A 6 ILE H A 7 ALA H 1.0 . 3.55 438 395 A 13 SER HA A 15 SER H 1.0 . 4.65 439 396 A 15 SER H A 16 ALA H 1.0 . 3.84 440 397 A 21 LEU H A 20 ALA H 1.0 . 3.61 441 398 A 29 SER H A 30 GLN H 1.0 . 3.65 442 399 A 54 GLU H A 55 CYS H 1.0 . 4.93 443 400 A 37 VAL H A 58 LEU H 1.0 . 4.83 444 401 A 4 ILE HD1% A 4 ILE H 1.0 . 3.38 445 402 A 62 VAL H A 63 PHE H 1.0 . 4.54 446 403 A 41 ARG HA A 41 ARG HE 1.0 . 3.53 447 404 A 41 ARG HE A 44 ASP H 1.0 . 3.54 448 405 A 32 ARG HE A 32 ARG HBx 1.0 . 3.73 449 405 A 32 ARG HE A 32 ARG HBy 1.0 . 3.73 450 406 A 32 ARG HE A 32 ARG HGx 1.0 . 3.74 451 407 A 8 ILE HD1% A 32 ARG HE 1.0 . 4.20 452 408 A 25 GLN HE2y A 25 GLN HBx 1.0 . 5.63 453 408 A 25 GLN HE2y A 25 GLN HBy 1.0 . 5.63 454 409 A 15 SER HA A 25 GLN HE2y 1.0 . 4.54 455 410 A 15 SER HA A 25 GLN HE2x 1.0 . 4.83 456 411 A 27 ALA HA A 31 TRP H 1.0 . 4.54 457 412 A 31 TRP H A 32 ARG HBx 1.0 . 4.90 458 412 A 32 ARG HBy A 31 TRP H 1.0 . 4.90 459 413 A 32 ARG H A 31 TRP H 1.0 . 3.69 460 414 A 12 GLY H A 13 SER H 1.0 . 3.71 461 415 A 2 ASN HD2y A 35 GLY HAx 1.0 . 4.09 462 416 A 33 ALA HA A 2 ASN HD2x 1.0 . 4.23 463 417 A 32 ARG HA A 2 ASN HD2x 1.0 . 4.05 464 418 A 6 ILE HA A 9 ASN HD2y 1.0 . 5.00 465 419 A 16 ALA H A 18 ALA H 1.0 . 5.38 466 420 A 40 GLY H A 42 CYS H 1.0 . 4.91 467 421 A 29 SER H A 29 SER HBy 1.0 . 3.61 468 421 A 29 SER H A 29 SER HBx 1.0 . 3.61 469 422 A 29 SER H A 30 GLN HBx 1.0 . 5.53 470 422 A 30 GLN HBy A 29 SER H 1.0 . 5.53 471 423 A 37 VAL HG2% A 37 VAL H 1.0 . 3.30 472 424 A 64 GLY H A 65 ALA H 1.0 . 4.39 473 425 A 59 ARG H A 59 ARG HDx 1.0 . 5.75 474 425 A 59 ARG H A 59 ARG HDy 1.0 . 5.75 475 426 A 5 ASP H A 5 ASP HBx 1.0 . 4.02 476 427 A 62 VAL H A 62 VAL HG2% 1.0 . 4.13 477 428 A 10 LYS HA A 12 GLY H 1.0 . 5.43 478 429 A 22 GLY H A 21 LEU HBx 1.0 . 4.55 479 430 A 22 GLY H A 21 LEU H 1.0 . 3.46 480 431 A 22 GLY H A 20 ALA H 1.0 . 4.90 481 432 A 36 ARG H A 34 ARG H 1.0 . 4.70 482 433 A 51 GLY H A 50 ASP HBx 1.0 . 5.64 483 434 A 27 ALA H A 24 ASN HBx 1.0 . 5.05 484 435 A 58 LEU H A 57 GLU HGx 1.0 . 6.00 485 436 A 42 CYS H A 42 CYS HBx 1.0 . 3.58 486 437 A 17 LEU HG A 17 LEU H 1.0 . 4.59 487 438 A 15 SER HA A 17 LEU H 1.0 . 5.22 488 439 A 13 SER H A 17 LEU H 1.0 . 5.23 489 440 A 19 ALA H A 20 ALA H 1.0 . 3.39 490 441 A 8 ILE H A 7 ALA H 1.0 . 3.63 491 442 A 9 ASN H A 8 ILE H 1.0 . 3.56 492 443 A 8 ILE H A 6 ILE H 1.0 . 4.98 493 444 A 28 ILE HG2% A 29 SER H 1.0 . 4.40 494 445 A 14 VAL HG1% A 29 SER H 1.0 . 4.46 495 446 A 49 THR HG2% A 48 TYR H 1.0 . 4.60 496 447 A 48 TYR H A 47 LEU HBx 1.0 . 4.72 497 448 A 8 ILE HB A 8 ILE H 1.0 . 3.18 498 449 A 10 LYS H A 8 ILE H 1.0 . 4.61 499 450 A 45 ILE HG2% A 45 ILE H 1.0 . 3.89 500 451 A 30 GLN H A 29 SER HBy 1.0 . 4.15 501 451 A 30 GLN H A 29 SER HBx 1.0 . 4.15 502 452 A 32 ARG H A 30 GLN H 1.0 . 5.33 503 453 A 28 ILE H A 30 GLN H 1.0 . 5.77 504 454 A 31 TRP HD1 A 30 GLN H 1.0 . 5.87 505 455 A 27 ALA H A 30 GLN H 1.0 . 5.81 506 456 A 10 LYS H A 10 LYS HBx 1.0 . 3.51 507 457 A 23 VAL H A 21 LEU HBx 1.0 . 5.08 508 458 A 34 ARG H A 34 ARG HBx 1.0 . 3.47 509 459 A 35 GLY H A 34 ARG HGx 1.0 . 4.55 510 460 A 35 GLY H A 34 ARG HBx 1.0 . 4.11 511 461 A 36 ARG H A 34 ARG HGx 1.0 . 4.00 512 462 A 36 ARG H A 34 ARG HBx 1.0 . 4.16 513 463 A 21 LEU HD2% A 21 LEU H 1.0 . 4.11 514 464 A 21 LEU HD1% A 21 LEU H 1.0 . 4.11 515 465 A 2 ASN HD2y A 2 ASN HBx 1.0 . 3.54 516 466 A 2 ASN HD2x A 2 ASN HBx 1.0 . 3.87 517 467 A 4 ILE H A 2 ASN HBx 1.0 . 4.73 518 468 A 4 ILE HG2% A 4 ILE H 1.0 . 4.08 519 469 A 6 ILE HG2% A 10 LYS H 1.0 . 5.78 520 470 A 23 VAL H A 24 ASN H 1.0 . 4.92 521 471 A 35 GLY H A 33 ALA H 1.0 . 5.23 522 472 A 37 VAL HG2% A 58 LEU H 1.0 . 5.90 523 473 A 61 ASP H A 60 PRO HGx 1.0 . 5.25 524 474 A 55 CYS HA A 3 ALA H 1.0 . 5.26 525 475 A 3 ALA H A 5 ASP H 1.0 . 5.65 526 476 A 6 ILE HB A 3 ALA H 1.0 . 5.08 527 477 A 53 VAL HB A 3 ALA H 1.0 . 5.24 528 478 A 2 ASN HA A 4 ILE H 1.0 . 5.56 529 479 A 32 ARG HA A 4 ILE H 1.0 . 5.40 530 480 A 5 ASP HA A 4 ILE H 1.0 . 5.97 531 481 A 49 THR HB A 7 ALA H 1.0 . 6.00 532 482 A 49 THR HA A 7 ALA H 1.0 . 6.00 533 483 A 4 ILE HA A 7 ALA H 1.0 . 4.35 534 484 A 26 SER H A 25 GLN H 1.0 . 3.86 535 485 A 24 ASN H A 25 GLN H 1.0 . 4.76 536 486 A 25 GLN HE2x A 24 ASN H 1.0 . 6.00 537 487 A 11 LEU H A 13 SER H 1.0 . 5.18 538 488 A 27 ALA H A 24 ASN H 1.0 . 5.58 539 489 A 27 ALA H A 29 SER H 1.0 . 5.38 540 490 A 31 TRP HE1 A 31 TRP H 1.0 . 5.89 541 491 A 31 TRP HE3 A 32 ARG H 1.0 . 5.67 542 492 A 31 TRP HD1 A 32 ARG H 1.0 . 5.68 543 493 A 34 ARG H A 32 ARG H 1.0 . 5.18 544 494 A 35 GLY H A 32 ARG H 1.0 . 5.75 545 495 A 2 ASN HD2x A 35 GLY H 1.0 . 4.96 546 496 A 37 VAL H A 56 ARG H 1.0 . 5.58 547 497 A 47 LEU H A 45 ILE H 1.0 . 5.51 548 498 A 57 GLU H A 56 ARG H 1.0 . 5.33 549 499 A 57 GLU H A 58 LEU H 1.0 . 4.95 550 500 A 63 PHE HA A 63 PHE HD% 1.0 . 4.42 551 501 A 48 TYR HA A 48 TYR HD% 1.0 . 3.61 552 502 A 48 TYR HE% A 47 LEU HD2% 1.0 . 4.16 553 503 A 48 TYR HA A 48 TYR HE% 1.0 . 4.74 554 504 A 31 TRP HD1 A 31 TRP HA 1.0 . 3.51 555 505 A 31 TRP HZ2 A 27 ALA HB% 1.0 . 4.17 556 506 A 1 MET HA A 2 ASN HBy 1.0 . 4.83 557 506 A 1 MET HA A 2 ASN HBx 1.0 . 4.83 558 507 A 2 ASN HD2y A 2 ASN HBy 1.0 . 3.00 559 507 A 2 ASN HD2y A 2 ASN HBx 1.0 . 3.00 560 508 A 2 ASN HD2x A 2 ASN HBy 1.0 . 3.33 561 508 A 2 ASN HD2x A 2 ASN HBx 1.0 . 3.33 562 509 A 3 ALA H A 2 ASN HBy 1.0 . 3.06 563 509 A 3 ALA H A 2 ASN HBx 1.0 . 3.06 564 510 A 2 ASN HD2y A 35 GLY HAx 1.0 . 3.57 565 510 A 2 ASN HD2y A 35 GLY HAy 1.0 . 3.57 566 511 A 2 ASN HD2x A 35 GLY HAx 1.0 . 3.99 567 511 A 2 ASN HD2x A 35 GLY HAy 1.0 . 3.99 568 512 A 3 ALA HB% A 55 CYS HBx 1.0 . 4.26 569 512 A 3 ALA HB% A 55 CYS HBy 1.0 . 4.26 570 513 A 4 ILE HG2% A 45 ILE HG1x 1.0 . 4.03 571 513 A 4 ILE HG2% A 45 ILE HG1y 1.0 . 4.03 572 514 A 37 VAL HG1% A 4 ILE HG1x 1.0 . 3.45 573 514 A 37 VAL HG1% A 4 ILE HG1y 1.0 . 3.45 574 515 A 4 ILE HD1% A 31 TRP HBy 1.0 . 4.47 575 515 A 4 ILE HD1% A 31 TRP HBx 1.0 . 4.47 576 516 A 4 ILE HD1% A 35 GLY HAy 1.0 . 4.99 577 516 A 4 ILE HD1% A 35 GLY HAx 1.0 . 4.99 578 517 A 5 ASP H A 5 ASP HBx 1.0 . 3.49 579 517 A 5 ASP H A 5 ASP HBy 1.0 . 3.49 580 518 A 6 ILE H A 5 ASP HBx 1.0 . 3.45 581 518 A 6 ILE H A 5 ASP HBy 1.0 . 3.45 582 519 A 6 ILE H A 6 ILE HG1x 1.0 . 3.30 583 519 A 6 ILE H A 6 ILE HG1y 1.0 . 3.30 584 520 A 7 ALA HA A 48 TYR HBx 1.0 . 4.88 585 520 A 7 ALA HA A 48 TYR HBy 1.0 . 4.88 586 521 A 7 ALA HB% A 48 TYR HBx 1.0 . 3.68 587 521 A 7 ALA HB% A 48 TYR HBy 1.0 . 3.68 588 522 A 8 ILE H A 8 ILE HG1x 1.0 . 3.31 589 522 A 8 ILE H A 8 ILE HG1y 1.0 . 3.31 590 523 A 14 VAL HA A 8 ILE HG1x 1.0 . 4.68 591 523 A 14 VAL HA A 8 ILE HG1y 1.0 . 4.68 592 524 A 17 LEU HD2% A 8 ILE HG1x 1.0 . 3.44 593 524 A 17 LEU HD2% A 8 ILE HG1y 1.0 . 3.44 594 525 A 8 ILE HD1% A 32 ARG HGy 1.0 . 4.52 595 525 A 8 ILE HD1% A 32 ARG HGx 1.0 . 4.52 596 526 A 8 ILE HD1% A 32 ARG HDy 1.0 . 3.79 597 526 A 8 ILE HD1% A 32 ARG HDx 1.0 . 3.79 598 527 A 10 LYS H A 10 LYS HBx 1.0 . 3.06 599 527 A 10 LYS H A 10 LYS HBy 1.0 . 3.06 600 528 A 10 LYS HA A 10 LYS HDx 1.0 . 4.46 601 528 A 10 LYS HA A 10 LYS HDy 1.0 . 4.46 602 529 A 11 LEU H A 10 LYS HBx 1.0 . 3.49 603 529 A 11 LEU H A 10 LYS HBy 1.0 . 3.49 604 530 A 10 LYS HBy A 48 TYR HBx 1.0 . 2.06 605 530 A 10 LYS HBx A 48 TYR HBx 1.0 . 2.06 606 530 A 48 TYR HBy A 10 LYS HBx 1.0 . 2.06 607 530 A 48 TYR HBy A 10 LYS HBy 1.0 . 2.06 608 531 A 11 LEU H A 10 LYS HDx 1.0 . 4.86 609 531 A 11 LEU H A 10 LYS HDy 1.0 . 4.86 610 532 A 11 LEU HD2% A 10 LYS HDx 1.0 . 4.53 611 532 A 11 LEU HD2% A 10 LYS HDy 1.0 . 4.53 612 533 A 48 TYR HA A 10 LYS HDx 1.0 . 5.22 613 533 A 48 TYR HA A 10 LYS HDy 1.0 . 5.22 614 534 A 10 LYS HDy A 48 TYR HBx 1.0 . 2.07 615 534 A 10 LYS HDx A 48 TYR HBx 1.0 . 2.07 616 534 A 48 TYR HBy A 10 LYS HDx 1.0 . 2.07 617 534 A 48 TYR HBy A 10 LYS HDy 1.0 . 2.07 618 535 A 48 TYR HD% A 10 LYS HDx 1.0 . 4.69 619 535 A 48 TYR HD% A 10 LYS HDy 1.0 . 4.69 620 536 A 11 LEU H A 11 LEU HBy 1.0 . 3.27 621 536 A 11 LEU H A 11 LEU HBx 1.0 . 3.27 622 537 A 12 GLY H A 11 LEU HBy 1.0 . 4.00 623 537 A 12 GLY H A 11 LEU HBx 1.0 . 4.00 624 538 A 13 SER H A 11 LEU HBy 1.0 . 4.81 625 538 A 13 SER H A 11 LEU HBx 1.0 . 4.81 626 539 A 11 LEU HD1% A 17 LEU HBy 1.0 . 4.26 627 539 A 11 LEU HD1% A 17 LEU HBx 1.0 . 4.26 628 540 A 14 VAL H A 13 SER HBx 1.0 . 3.15 629 540 A 14 VAL H A 13 SER HBy 1.0 . 3.15 630 541 A 15 SER H A 13 SER HBx 1.0 . 3.61 631 541 A 15 SER H A 13 SER HBy 1.0 . 3.61 632 542 A 14 VAL HG2% A 17 LEU HBy 1.0 . 3.34 633 542 A 14 VAL HG2% A 17 LEU HBx 1.0 . 3.34 634 543 A 15 SER HA A 25 GLN HGy 1.0 . 4.45 635 543 A 15 SER HA A 25 GLN HGx 1.0 . 4.45 636 544 A 15 SER HBy A 25 GLN HGy 1.0 . 4.55 637 544 A 15 SER HBx A 25 GLN HGy 1.0 . 4.55 638 544 A 25 GLN HGx A 15 SER HBy 1.0 . 4.55 639 544 A 15 SER HBx A 25 GLN HGx 1.0 . 4.55 640 545 A 16 ALA H A 17 LEU HBy 1.0 . 5.81 641 545 A 16 ALA H A 17 LEU HBx 1.0 . 5.81 642 546 A 18 ALA H A 17 LEU HBy 1.0 . 3.88 643 546 A 18 ALA H A 17 LEU HBx 1.0 . 3.88 644 547 A 21 LEU HD1% A 17 LEU HBy 1.0 . 3.56 645 547 A 21 LEU HD1% A 17 LEU HBx 1.0 . 3.56 646 548 A 17 LEU HD1% A 45 ILE HG1x 1.0 . 3.26 647 548 A 17 LEU HD1% A 45 ILE HG1y 1.0 . 3.26 648 549 A 17 LEU HD2% A 45 ILE HG1x 1.0 . 3.35 649 549 A 17 LEU HD2% A 45 ILE HG1y 1.0 . 3.35 650 550 A 17 LEU HD2% A 48 TYR HBx 1.0 . 4.83 651 550 A 17 LEU HD2% A 48 TYR HBy 1.0 . 4.83 652 551 A 18 ALA H A 28 ILE HG1x 1.0 . 4.14 653 551 A 18 ALA H A 28 ILE HG1y 1.0 . 4.14 654 552 A 18 ALA HB% A 25 GLN HGy 1.0 . 3.93 655 552 A 18 ALA HB% A 25 GLN HGx 1.0 . 3.93 656 553 A 20 ALA H A 21 LEU HBy 1.0 . 5.54 657 553 A 20 ALA H A 21 LEU HBx 1.0 . 5.54 658 554 A 21 LEU H A 21 LEU HBy 1.0 . 3.25 659 554 A 21 LEU H A 21 LEU HBx 1.0 . 3.25 660 555 A 23 VAL H A 21 LEU HBy 1.0 . 4.43 661 555 A 23 VAL H A 21 LEU HBx 1.0 . 4.43 662 556 A 21 LEU HD1% A 41 ARG HGy 1.0 . 4.15 663 556 A 21 LEU HD1% A 41 ARG HGx 1.0 . 4.15 664 557 A 21 LEU HD2% A 45 ILE HG1x 1.0 . 4.02 665 557 A 21 LEU HD2% A 45 ILE HG1y 1.0 . 4.02 666 558 A 23 VAL HG2% A 41 ARG HGy 1.0 . 4.22 667 558 A 23 VAL HG2% A 41 ARG HGx 1.0 . 4.22 668 559 A 24 ASN H A 24 ASN HBy 1.0 . 3.45 669 559 A 24 ASN H A 24 ASN HBx 1.0 . 3.45 670 560 A 25 GLN H A 24 ASN HBy 1.0 . 3.08 671 560 A 25 GLN H A 24 ASN HBx 1.0 . 3.08 672 561 A 26 SER H A 24 ASN HBy 1.0 . 3.62 673 561 A 26 SER H A 24 ASN HBx 1.0 . 3.62 674 562 A 27 ALA H A 24 ASN HBy 1.0 . 4.38 675 562 A 27 ALA H A 24 ASN HBx 1.0 . 4.38 676 563 A 25 GLN H A 25 GLN HGy 1.0 . 3.33 677 563 A 25 GLN H A 25 GLN HGx 1.0 . 3.33 678 564 A 28 ILE H A 28 ILE HG1x 1.0 . 3.73 679 564 A 28 ILE H A 28 ILE HG1y 1.0 . 3.73 680 565 A 28 ILE HA A 31 TRP HBx 1.0 . 4.29 681 565 A 28 ILE HA A 31 TRP HBy 1.0 . 4.29 682 566 A 30 GLN H A 30 GLN HGy 1.0 . 4.12 683 566 A 30 GLN H A 30 GLN HGx 1.0 . 4.12 684 567 A 31 TRP H A 31 TRP HBx 1.0 . 3.37 685 567 A 31 TRP H A 31 TRP HBy 1.0 . 3.37 686 568 A 32 ARG H A 31 TRP HBx 1.0 . 3.38 687 568 A 32 ARG H A 31 TRP HBy 1.0 . 3.38 688 569 A 37 VAL HG1% A 31 TRP HBx 1.0 . 3.54 689 569 A 37 VAL HG1% A 31 TRP HBy 1.0 . 3.54 690 570 A 31 TRP HE1 A 38 PRO HBy 1.0 . 4.38 691 570 A 31 TRP HE1 A 38 PRO HBx 1.0 . 4.38 692 571 A 31 TRP HZ2 A 38 PRO HGx 1.0 . 4.04 693 571 A 31 TRP HZ2 A 38 PRO HGy 1.0 . 4.04 694 572 A 32 ARG H A 32 ARG HGx 1.0 . 4.35 695 572 A 32 ARG H A 32 ARG HGy 1.0 . 4.35 696 573 A 33 ALA H A 32 ARG HGx 1.0 . 4.86 697 573 A 33 ALA H A 32 ARG HGy 1.0 . 4.86 698 574 A 35 GLY H A 32 ARG HGx 1.0 . 5.02 699 574 A 35 GLY H A 32 ARG HGy 1.0 . 5.02 700 575 A 33 ALA H A 32 ARG HDx 1.0 . 5.81 701 575 A 33 ALA H A 32 ARG HDy 1.0 . 5.81 702 576 A 33 ALA H A 34 ARG HBx 1.0 . 5.34 703 576 A 33 ALA H A 34 ARG HBy 1.0 . 5.34 704 577 A 34 ARG H A 34 ARG HGx 1.0 . 3.81 705 577 A 34 ARG H A 34 ARG HGy 1.0 . 3.81 706 578 A 34 ARG H A 34 ARG HDx 1.0 . 4.91 707 578 A 34 ARG H A 34 ARG HDy 1.0 . 4.91 708 579 A 34 ARG H A 35 GLY HAx 1.0 . 5.44 709 579 A 34 ARG H A 35 GLY HAy 1.0 . 5.44 710 580 A 34 ARG HA A 34 ARG HGx 1.0 . 3.67 711 580 A 34 ARG HA A 34 ARG HGy 1.0 . 3.67 712 581 A 34 ARG HE A 34 ARG HGx 1.0 . 2.69 713 581 A 34 ARG HE A 34 ARG HGy 1.0 . 2.69 714 582 A 58 LEU HD1% A 34 ARG HGx 1.0 . 4.33 715 582 A 58 LEU HD1% A 34 ARG HGy 1.0 . 4.33 716 583 A 37 VAL H A 36 ARG HBx 1.0 . 3.66 717 583 A 37 VAL H A 36 ARG HBy 1.0 . 3.66 718 584 A 58 LEU HD2% A 36 ARG HBx 1.0 . 4.30 719 584 A 58 LEU HD2% A 36 ARG HBy 1.0 . 4.30 720 585 A 37 VAL HB A 38 PRO HDy 1.0 . 3.83 721 585 A 37 VAL HB A 38 PRO HDx 1.0 . 3.83 722 586 A 37 VAL HG1% A 38 PRO HDy 1.0 . 4.62 723 586 A 37 VAL HG1% A 38 PRO HDx 1.0 . 4.62 724 587 A 37 VAL HG1% A 41 ARG HBy 1.0 . 4.13 725 587 A 37 VAL HG1% A 41 ARG HBx 1.0 . 4.13 726 588 A 37 VAL HG2% A 41 ARG HGy 1.0 . 4.35 727 588 A 37 VAL HG2% A 41 ARG HGx 1.0 . 4.35 728 589 A 37 VAL HG2% A 57 GLU HGy 1.0 . 3.76 729 589 A 37 VAL HG2% A 57 GLU HGx 1.0 . 3.76 730 590 A 38 PRO HA A 58 LEU HBy 1.0 . 4.68 731 590 A 38 PRO HA A 58 LEU HBx 1.0 . 4.68 732 591 A 39 ALA H A 38 PRO HBy 1.0 . 3.87 733 591 A 39 ALA H A 38 PRO HBx 1.0 . 3.87 734 592 A 39 ALA H A 38 PRO HGx 1.0 . 5.06 735 592 A 39 ALA H A 38 PRO HGy 1.0 . 5.06 736 593 A 39 ALA HA A 57 GLU HGy 1.0 . 4.46 737 593 A 39 ALA HA A 57 GLU HGx 1.0 . 4.46 738 594 A 39 ALA HB% A 60 PRO HGx 1.0 . 4.51 739 594 A 39 ALA HB% A 60 PRO HGy 1.0 . 4.51 740 595 A 39 ALA HB% A 60 PRO HDy 1.0 . 4.86 741 595 A 39 ALA HB% A 60 PRO HDx 1.0 . 4.86 742 596 A 41 ARG H A 41 ARG HDx 1.0 . 5.07 743 596 A 41 ARG H A 41 ARG HDy 1.0 . 5.07 744 597 A 41 ARG HA A 41 ARG HDx 1.0 . 3.61 745 597 A 41 ARG HA A 41 ARG HDy 1.0 . 3.61 746 598 A 41 ARG HE A 41 ARG HBy 1.0 . 3.85 747 598 A 41 ARG HE A 41 ARG HBx 1.0 . 3.85 748 599 A 41 ARG HE A 41 ARG HGy 1.0 . 3.32 749 599 A 41 ARG HE A 41 ARG HGx 1.0 . 3.32 750 600 A 42 CYS H A 42 CYS HBx 1.0 . 3.10 751 600 A 42 CYS H A 42 CYS HBy 1.0 . 3.10 752 601 A 43 ILE H A 42 CYS HBx 1.0 . 4.03 753 601 A 43 ILE H A 42 CYS HBy 1.0 . 4.03 754 602 A 43 ILE H A 43 ILE HG1x 1.0 . 3.89 755 602 A 43 ILE H A 43 ILE HG1y 1.0 . 3.89 756 603 A 43 ILE HG2% A 43 ILE HG1x 1.0 . 3.23 757 603 A 43 ILE HG2% A 43 ILE HG1y 1.0 . 3.23 758 604 A 45 ILE H A 45 ILE HG1x 1.0 . 3.33 759 604 A 45 ILE H A 45 ILE HG1y 1.0 . 3.33 760 605 A 45 ILE HG2% A 55 CYS HBx 1.0 . 4.62 761 605 A 45 ILE HG2% A 55 CYS HBy 1.0 . 4.62 762 606 A 46 GLU HA A 46 GLU HGy 1.0 . 3.66 763 606 A 46 GLU HA A 46 GLU HGx 1.0 . 3.66 764 607 A 49 THR HG2% A 46 GLU HGy 1.0 . 5.01 765 607 A 49 THR HG2% A 46 GLU HGx 1.0 . 5.01 766 608 A 47 LEU H A 47 LEU HBy 1.0 . 3.22 767 608 A 47 LEU H A 47 LEU HBx 1.0 . 3.22 768 609 A 48 TYR H A 47 LEU HBy 1.0 . 4.05 769 609 A 48 TYR H A 47 LEU HBx 1.0 . 4.05 770 610 A 48 TYR HE% A 47 LEU HBy 1.0 . 4.65 771 610 A 48 TYR HE% A 47 LEU HBx 1.0 . 4.65 772 611 A 48 TYR H A 48 TYR HBx 1.0 . 3.55 773 611 A 48 TYR H A 48 TYR HBy 1.0 . 3.55 774 612 A 52 ARG H A 50 ASP HBx 1.0 . 5.28 775 612 A 52 ARG H A 50 ASP HBy 1.0 . 5.28 776 613 A 55 CYS H A 55 CYS HBx 1.0 . 3.28 777 613 A 55 CYS H A 55 CYS HBy 1.0 . 3.28 778 614 A 56 ARG H A 56 ARG HBy 1.0 . 3.49 779 614 A 56 ARG H A 56 ARG HBx 1.0 . 3.49 780 615 A 56 ARG H A 56 ARG HGy 1.0 . 4.07 781 615 A 56 ARG H A 56 ARG HGx 1.0 . 4.07 782 616 A 57 GLU H A 57 GLU HGy 1.0 . 3.78 783 616 A 57 GLU H A 57 GLU HGx 1.0 . 3.78 784 617 A 58 LEU H A 57 GLU HGy 1.0 . 5.23 785 617 A 58 LEU H A 57 GLU HGx 1.0 . 5.23 786 618 A 58 LEU H A 58 LEU HBy 1.0 . 3.67 787 618 A 58 LEU H A 58 LEU HBx 1.0 . 3.67 788 619 A 59 ARG H A 58 LEU HBy 1.0 . 3.96 789 619 A 59 ARG H A 58 LEU HBx 1.0 . 3.96 790 620 A 59 ARG H A 59 ARG HBy 1.0 . 3.31 791 620 A 59 ARG H A 59 ARG HBx 1.0 . 3.31 792 621 A 59 ARG H A 60 PRO HDy 1.0 . 5.69 793 621 A 59 ARG H A 60 PRO HDx 1.0 . 5.69 794 622 A 59 ARG HBy A 60 PRO HDy 1.0 . 1.56 795 622 A 59 ARG HBx A 60 PRO HDy 1.0 . 1.56 796 622 A 60 PRO HDx A 59 ARG HBy 1.0 . 1.56 797 622 A 60 PRO HDx A 59 ARG HBx 1.0 . 1.56 798 623 A 61 ASP H A 59 ARG HBy 1.0 . 5.60 799 623 A 61 ASP H A 59 ARG HBx 1.0 . 5.60 800 624 A 61 ASP H A 60 PRO HBy 1.0 . 4.08 801 624 A 61 ASP H A 60 PRO HBx 1.0 . 4.08 802 625 A 61 ASP H A 60 PRO HGx 1.0 . 4.59 803 625 A 61 ASP H A 60 PRO HGy 1.0 . 4.59 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 6 ILE H A 2 ASN O 1.0 0.0 2.5 2 2 A 2 ASN O A 6 ILE N 1.0 0.0 3.5 3 3 A 7 ALA H A 3 ALA O 1.0 0.0 2.5 4 4 A 3 ALA O A 7 ALA N 1.0 0.0 3.5 5 5 A 8 ILE H A 4 ILE O 1.0 0.0 2.5 6 6 A 4 ILE O A 8 ILE N 1.0 0.0 3.5 7 7 A 9 ASN H A 5 ASP O 1.0 0.0 2.5 8 8 A 5 ASP O A 9 ASN N 1.0 0.0 3.5 9 9 A 10 LYS H A 6 ILE O 1.0 0.0 2.5 10 10 A 6 ILE O A 10 LYS N 1.0 0.0 3.5 11 11 A 11 LEU H A 7 ALA O 1.0 0.0 2.5 12 12 A 7 ALA O A 11 LEU N 1.0 0.0 3.5 13 13 A 18 ALA H A 14 VAL O 1.0 0.0 2.5 14 14 A 14 VAL O A 18 ALA N 1.0 0.0 3.5 15 15 A 19 ALA H A 15 SER O 1.0 0.0 2.5 16 16 A 15 SER O A 19 ALA N 1.0 0.0 3.5 17 17 A 20 ALA H A 16 ALA O 1.0 0.0 2.5 18 18 A 16 ALA O A 20 ALA N 1.0 0.0 3.5 19 19 A 21 LEU H A 17 LEU O 1.0 0.0 2.5 20 20 A 17 LEU O A 21 LEU N 1.0 0.0 3.5 21 21 A 29 SER H A 25 GLN O 1.0 0.0 2.5 22 22 A 25 GLN O A 29 SER N 1.0 0.0 3.5 23 23 A 30 GLN H A 26 SER O 1.0 0.0 2.5 24 24 A 26 SER O A 30 GLN N 1.0 0.0 3.5 25 25 A 31 TRP H A 27 ALA O 1.0 0.0 2.5 26 26 A 27 ALA O A 31 TRP N 1.0 0.0 3.5 27 27 A 32 ARG H A 28 ILE O 1.0 0.0 2.5 28 28 A 28 ILE O A 32 ARG N 1.0 0.0 3.5 29 29 A 33 ALA H A 29 SER O 1.0 0.0 2.5 30 30 A 29 SER O A 33 ALA N 1.0 0.0 3.5 31 31 A 34 ARG H A 30 GLN O 1.0 0.0 2.5 32 32 A 30 GLN O A 34 ARG N 1.0 0.0 3.5 33 33 A 45 ILE H A 41 ARG O 1.0 0.0 2.5 34 34 A 41 ARG O A 45 ILE N 1.0 0.0 3.5 35 35 A 46 GLU H A 42 CYS O 1.0 0.0 2.5 36 36 A 42 CYS O A 46 GLU N 1.0 0.0 3.5 37 37 A 47 LEU H A 43 ILE O 1.0 0.0 2.5 38 38 A 43 ILE O A 47 LEU N 1.0 0.0 3.5 39 39 A 48 TYR H A 44 ASP O 1.0 0.0 2.5 40 40 A 44 ASP O A 48 TYR N 1.0 0.0 3.5 41 41 A 49 THR H A 45 ILE O 1.0 0.0 2.5 42 42 A 45 ILE O A 49 THR N 1.0 0.0 3.5 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 6 ILE H A 2 ASN O 1.0 . 2.5 2 2 A 2 ASN O A 6 ILE N 1.0 . 3.5 3 3 A 7 ALA H A 3 ALA O 1.0 . 2.5 4 4 A 3 ALA O A 7 ALA N 1.0 . 3.5 5 5 A 8 ILE H A 4 ILE O 1.0 . 2.5 6 6 A 4 ILE O A 8 ILE N 1.0 . 3.5 7 7 A 9 ASN H A 5 ASP O 1.0 . 2.5 8 8 A 5 ASP O A 9 ASN N 1.0 . 3.5 9 9 A 10 LYS H A 6 ILE O 1.0 . 2.5 10 10 A 6 ILE O A 10 LYS N 1.0 . 3.5 11 11 A 11 LEU H A 7 ALA O 1.0 . 2.5 12 12 A 7 ALA O A 11 LEU N 1.0 . 3.5 13 13 A 18 ALA H A 14 VAL O 1.0 . 2.5 14 14 A 14 VAL O A 18 ALA N 1.0 . 3.5 15 15 A 19 ALA H A 15 SER O 1.0 . 2.5 16 16 A 15 SER O A 19 ALA N 1.0 . 3.5 17 17 A 20 ALA H A 16 ALA O 1.0 . 2.5 18 18 A 16 ALA O A 20 ALA N 1.0 . 3.5 19 19 A 21 LEU H A 17 LEU O 1.0 . 2.5 20 20 A 17 LEU O A 21 LEU N 1.0 . 3.5 21 21 A 29 SER H A 25 GLN O 1.0 . 2.5 22 22 A 25 GLN O A 29 SER N 1.0 . 3.5 23 23 A 30 GLN H A 26 SER O 1.0 . 2.5 24 24 A 26 SER O A 30 GLN N 1.0 . 3.5 25 25 A 31 TRP H A 27 ALA O 1.0 . 2.5 26 26 A 27 ALA O A 31 TRP N 1.0 . 3.5 27 27 A 32 ARG H A 28 ILE O 1.0 . 2.5 28 28 A 28 ILE O A 32 ARG N 1.0 . 3.5 29 29 A 33 ALA H A 29 SER O 1.0 . 2.5 30 30 A 29 SER O A 33 ALA N 1.0 . 3.5 31 31 A 34 ARG H A 30 GLN O 1.0 . 2.5 32 32 A 30 GLN O A 34 ARG N 1.0 . 3.5 33 33 A 45 ILE H A 41 ARG O 1.0 . 2.5 34 34 A 41 ARG O A 45 ILE N 1.0 . 3.5 35 35 A 46 GLU H A 42 CYS O 1.0 . 2.5 36 36 A 42 CYS O A 46 GLU N 1.0 . 3.5 37 37 A 47 LEU H A 43 ILE O 1.0 . 2.5 38 38 A 43 ILE O A 47 LEU N 1.0 . 3.5 39 39 A 48 TYR H A 44 ASP O 1.0 . 2.5 40 40 A 44 ASP O A 48 TYR N 1.0 . 3.5 41 41 A 49 THR H A 45 ILE O 1.0 . 2.5 42 42 A 45 ILE O A 49 THR N 1.0 . 3.5 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 MET C A 2 ASN N A 2 ASN CA A 2 ASN C 1.0 -161.2 -59.6 PHI 2 2 A 2 ASN N A 2 ASN CA A 2 ASN C A 3 ALA N 1.0 142.9 182.9 PSI 3 3 A 2 ASN C A 3 ALA N A 3 ALA CA A 3 ALA C 1.0 -79.7 -39.7 PHI 4 4 A 3 ALA N A 3 ALA CA A 3 ALA C A 4 ILE N 1.0 -56.2 -16.2 PSI 5 5 A 3 ALA C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -84.2 -44.2 PHI 6 6 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 ASP N 1.0 -63.7 -23.7 PSI 7 7 A 4 ILE C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -82.6 -42.6 PHI 8 8 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 ILE N 1.0 -62.2 -22.2 PSI 9 9 A 5 ASP C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -86.7 -46.7 PHI 10 10 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 ALA N 1.0 -59.6 -19.6 PSI 11 11 A 6 ILE C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -85.1 -45.1 PHI 12 12 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 ILE N 1.0 -61.9 -21.9 PSI 13 13 A 7 ALA C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -82.8 -42.8 PHI 14 14 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 ASN N 1.0 -63.1 -23.1 PSI 15 15 A 8 ILE C A 9 ASN N A 9 ASN CA A 9 ASN C 1.0 -85.4 -45.4 PHI 16 16 A 9 ASN N A 9 ASN CA A 9 ASN C A 10 LYS N 1.0 -60.7 -20.7 PSI 17 17 A 9 ASN C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -87.9 -47.9 PHI 18 18 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 LEU N 1.0 -49.4 -9.4 PSI 19 19 A 10 LYS C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -101.6 -61.6 PHI 20 20 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 GLY N 1.0 -36.8 7.4 PSI 21 21 A 11 LEU C A 12 GLY N A 12 GLY CA A 12 GLY C 1.0 60.1 112.9 PHI 22 22 A 12 GLY N A 12 GLY CA A 12 GLY C A 13 SER N 1.0 -37.9 40.9 PSI 23 23 A 12 GLY C A 13 SER N A 13 SER CA A 13 SER C 1.0 -208.4 -86.8 PHI 24 24 A 13 SER N A 13 SER CA A 13 SER C A 14 VAL N 1.0 135.1 177.1 PSI 25 25 A 13 SER C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -82.4 -42.4 PHI 26 26 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 SER N 1.0 -59.8 -19.8 PSI 27 27 A 14 VAL C A 15 SER N A 15 SER CA A 15 SER C 1.0 -79.9 -39.9 PHI 28 28 A 15 SER N A 15 SER CA A 15 SER C A 16 ALA N 1.0 -61.0 -21.0 PSI 29 29 A 15 SER C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -86.8 -46.8 PHI 30 30 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 LEU N 1.0 -56.8 -16.8 PSI 31 31 A 16 ALA C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -85.1 -45.1 PHI 32 32 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ALA N 1.0 -63.9 -23.9 PSI 33 33 A 17 LEU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -81.1 -41.1 PHI 34 34 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 ALA N 1.0 -62.5 -22.5 PSI 35 35 A 18 ALA C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -85.3 -45.3 PHI 36 36 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ALA N 1.0 -59.1 -19.1 PSI 37 37 A 19 ALA C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -84.1 -44.1 PHI 38 38 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 LEU N 1.0 -54.8 -14.8 PSI 39 39 A 20 ALA C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -108.6 -68.6 PHI 40 40 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 GLY N 1.0 -32.6 7.4 PSI 41 41 A 21 LEU C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 51.1 91.1 PHI 42 42 A 22 GLY N A 22 GLY CA A 22 GLY C A 23 VAL N 1.0 16.7 56.7 PSI 43 43 A 22 GLY C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -146.1 -106.1 PHI 44 44 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 ASN N 1.0 144.9 184.9 PSI 45 45 A 23 VAL C A 24 ASN N A 24 ASN CA A 24 ASN C 1.0 -93.3 -53.3 PHI 46 46 A 24 ASN N A 24 ASN CA A 24 ASN C A 25 GLN N 1.0 134.4 174.4 PSI 47 47 A 24 ASN C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -79.2 -39.2 PHI 48 48 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 SER N 1.0 -57.5 -17.5 PSI 49 49 A 25 GLN C A 26 SER N A 26 SER CA A 26 SER C 1.0 -84.2 -44.2 PHI 50 50 A 26 SER N A 26 SER CA A 26 SER C A 27 ALA N 1.0 -54.2 -14.2 PSI 51 51 A 26 SER C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -88.4 -48.4 PHI 52 52 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 ILE N 1.0 -60.5 -20.5 PSI 53 53 A 27 ALA C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -85.5 -45.5 PHI 54 54 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 SER N 1.0 -58.9 -18.9 PSI 55 55 A 28 ILE C A 29 SER N A 29 SER CA A 29 SER C 1.0 -84.5 -44.5 PHI 56 56 A 29 SER N A 29 SER CA A 29 SER C A 30 GLN N 1.0 -60.2 -20.2 PSI 57 57 A 29 SER C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -84.9 -44.9 PHI 58 58 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 TRP N 1.0 -61.5 -21.5 PSI 59 59 A 30 GLN C A 31 TRP N A 31 TRP CA A 31 TRP C 1.0 -81.1 -41.1 PHI 60 60 A 31 TRP N A 31 TRP CA A 31 TRP C A 32 ARG N 1.0 -60.9 -20.9 PSI 61 61 A 31 TRP C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -84.1 -44.1 PHI 62 62 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 ALA N 1.0 -60.7 -20.7 PSI 63 63 A 32 ARG C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -88.8 -48.8 PHI 64 64 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 ARG N 1.0 -50.7 -10.7 PSI 65 65 A 33 ALA C A 34 ARG N A 34 ARG CA A 34 ARG C 1.0 -112.9 -72.1 PHI 66 66 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 GLY N 1.0 -28.8 22.4 PSI 67 67 A 34 ARG C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 53.0 94.6 PHI 68 68 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 ARG N 1.0 -6.3 52.9 PSI 69 69 A 35 GLY C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -165.7 -99.7 PHI 70 70 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 VAL N 1.0 136.8 176.8 PSI 71 71 A 36 ARG C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -122.6 -50.2 PHI 72 72 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 PRO N 1.0 91.3 159.5 PSI 73 73 A 38 PRO N A 38 PRO CA A 38 PRO C A 39 ALA N 1.0 128.0 168.0 PSI 74 74 A 38 PRO C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -79.3 -39.3 PHI 75 75 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 GLY N 1.0 118.2 158.2 PSI 76 76 A 41 ARG C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -80.8 -40.8 PHI 77 77 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 ILE N 1.0 -58.4 -18.4 PSI 78 78 A 42 CYS C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -86.3 -46.3 PHI 79 79 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 ASP N 1.0 -57.1 -17.1 PSI 80 80 A 43 ILE C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -87.7 -47.7 PHI 81 81 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 ILE N 1.0 -57.1 -17.1 PSI 82 82 A 44 ASP C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -88.6 -48.6 PHI 83 83 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 GLU N 1.0 -56.3 -16.3 PSI 84 84 A 45 ILE C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -84.3 -44.3 PHI 85 85 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 LEU N 1.0 -49.9 -9.9 PSI 86 86 A 46 GLU C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -90.0 -50.0 PHI 87 87 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 TYR N 1.0 -45.7 -5.7 PSI 88 88 A 47 LEU C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -126.6 -86.6 PHI 89 89 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 THR N 1.0 -25.9 27.9 PSI 90 90 A 49 THR C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -141.2 -31.2 PHI 91 91 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 GLY N 1.0 -69.7 42.1 PSI 92 92 A 51 GLY C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -90.3 -50.3 PHI 93 93 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 VAL N 1.0 -51.3 -11.3 PSI 94 94 A 52 ARG C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -151.2 -108.2 PHI 95 95 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 GLU N 1.0 112.9 171.7 PSI 96 96 A 53 VAL C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -102.9 -62.9 PHI 97 97 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 CYS N 1.0 92.2 150.4 PSI 98 98 A 54 GLU C A 55 CYS N A 55 CYS CA A 55 CYS C 1.0 -96.4 -52.2 PHI 99 99 A 55 CYS N A 55 CYS CA A 55 CYS C A 56 ARG N 1.0 105.9 145.9 PSI 100 100 A 55 CYS C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -146.6 -93.2 PHI 101 101 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 GLU N 1.0 115.4 173.2 PSI 102 102 A 56 ARG C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -141.2 -91.2 PHI 103 103 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 LEU N 1.0 116.5 162.1 PSI 104 104 A 57 GLU C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -97.9 -54.9 PHI 105 105 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 ARG N 1.0 113.7 159.9 PSI 106 106 A 58 LEU C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -87.5 -47.5 PHI 107 107 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 PRO N 1.0 117.6 164.2 PSI 108 108 A 4 ILE N A 4 ILE CA A 4 ILE CB A 4 ILE CG1 1.0 -100.0 -20.0 CHI1 109 109 A 6 ILE N A 6 ILE CA A 6 ILE CB A 6 ILE CG1 1.0 -100.0 -20.0 CHI1 110 110 A 8 ILE N A 8 ILE CA A 8 ILE CB A 8 ILE CG1 1.0 -100.0 -20.0 CHI1 111 111 A 11 LEU N A 11 LEU CA A 11 LEU CB A 11 LEU CG 1.0 -100.0 -20.0 CHI1 112 112 A 13 SER N A 13 SER CA A 13 SER CB A 13 SER OG 1.0 20.0 100.0 CHI1 113 113 A 14 VAL N A 14 VAL CA A 14 VAL CB A 14 VAL CG1 1.0 140.0 220.0 CHI1 114 114 A 21 LEU N A 21 LEU CA A 21 LEU CB A 21 LEU CG 1.0 -100.0 -20.0 CHI1 115 115 A 23 VAL N A 23 VAL CA A 23 VAL CB A 23 VAL CG1 1.0 -100.0 -20.0 CHI1 116 116 A 28 ILE N A 28 ILE CA A 28 ILE CB A 28 ILE CG1 1.0 -100.0 -20.0 CHI1 117 117 A 43 ILE N A 43 ILE CA A 43 ILE CB A 43 ILE CG1 1.0 -100.0 -20.0 CHI1 118 118 A 45 ILE N A 45 ILE CA A 45 ILE CB A 45 ILE CG1 1.0 -100.0 -20.0 CHI1 119 119 A 48 TYR N A 48 TYR CA A 48 TYR CB A 48 TYR CG 1.0 -100.0 -20.0 CHI1 120 120 A 49 THR N A 49 THR CA A 49 THR CB A 49 THR OG1 1.0 20.0 100.0 CHI1 stop_ save_ save_DYANA/DIANA_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_6 _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 MET C A 2 ASN N A 2 ASN CA A 2 ASN C 1.0 -161.1 -59.6 PHI 2 2 A 2 ASN N A 2 ASN CA A 2 ASN C A 3 ALA N 1.0 142.9 182.9 PSI 3 3 A 2 ASN C A 3 ALA N A 3 ALA CA A 3 ALA C 1.0 -79.7 -39.7 PHI 4 4 A 3 ALA N A 3 ALA CA A 3 ALA C A 4 ILE N 1.0 -56.2 -16.2 PSI 5 5 A 3 ALA C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -84.2 -44.2 PHI 6 6 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 ASP N 1.0 -63.7 -23.7 PSI 7 7 A 4 ILE C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -82.6 -42.6 PHI 8 8 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 ILE N 1.0 -62.2 -22.2 PSI 9 9 A 5 ASP C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -86.7 -46.7 PHI 10 10 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 ALA N 1.0 -59.6 -19.6 PSI 11 11 A 6 ILE C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -85.1 -45.1 PHI 12 12 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 ILE N 1.0 -61.9 -21.9 PSI 13 13 A 7 ALA C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -82.8 -42.8 PHI 14 14 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 ASN N 1.0 -63.1 -23.1 PSI 15 15 A 8 ILE C A 9 ASN N A 9 ASN CA A 9 ASN C 1.0 -85.4 -45.4 PHI 16 16 A 9 ASN N A 9 ASN CA A 9 ASN C A 10 LYS N 1.0 -60.7 -20.7 PSI 17 17 A 9 ASN C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -87.9 -47.9 PHI 18 18 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 LEU N 1.0 -49.4 -9.4 PSI 19 19 A 10 LYS C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -101.6 -61.6 PHI 20 20 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 GLY N 1.0 -36.9 7.4 PSI 21 21 A 11 LEU C A 12 GLY N A 12 GLY CA A 12 GLY C 1.0 60.1 112.9 PHI 22 22 A 12 GLY N A 12 GLY CA A 12 GLY C A 13 SER N 1.0 -38.0 40.9 PSI 23 23 A 12 GLY C A 13 SER N A 13 SER CA A 13 SER C 1.0 -208.4 -86.8 PHI 24 24 A 13 SER N A 13 SER CA A 13 SER C A 14 VAL N 1.0 135.1 177.1 PSI 25 25 A 13 SER C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -82.4 -42.4 PHI 26 26 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 SER N 1.0 -59.8 -19.8 PSI 27 27 A 14 VAL C A 15 SER N A 15 SER CA A 15 SER C 1.0 -79.9 -39.9 PHI 28 28 A 15 SER N A 15 SER CA A 15 SER C A 16 ALA N 1.0 -61.0 -21.0 PSI 29 29 A 15 SER C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -86.8 -46.8 PHI 30 30 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 LEU N 1.0 -56.8 -16.8 PSI 31 31 A 16 ALA C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -85.1 -45.1 PHI 32 32 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 ALA N 1.0 -63.9 -23.9 PSI 33 33 A 17 LEU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -81.1 -41.1 PHI 34 34 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 ALA N 1.0 -62.5 -22.5 PSI 35 35 A 18 ALA C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -85.3 -45.3 PHI 36 36 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ALA N 1.0 -59.1 -19.1 PSI 37 37 A 19 ALA C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -84.1 -44.1 PHI 38 38 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 LEU N 1.0 -54.8 -14.8 PSI 39 39 A 20 ALA C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -108.6 -68.6 PHI 40 40 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 GLY N 1.0 -32.6 7.4 PSI 41 41 A 21 LEU C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 51.1 91.1 PHI 42 42 A 22 GLY N A 22 GLY CA A 22 GLY C A 23 VAL N 1.0 16.7 56.7 PSI 43 43 A 22 GLY C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -146.1 -106.1 PHI 44 44 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 ASN N 1.0 144.9 184.9 PSI 45 45 A 23 VAL C A 24 ASN N A 24 ASN CA A 24 ASN C 1.0 -93.3 -53.3 PHI 46 46 A 24 ASN N A 24 ASN CA A 24 ASN C A 25 GLN N 1.0 134.4 174.4 PSI 47 47 A 24 ASN C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -79.2 -39.2 PHI 48 48 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 SER N 1.0 -57.5 -17.5 PSI 49 49 A 25 GLN C A 26 SER N A 26 SER CA A 26 SER C 1.0 -84.2 -44.2 PHI 50 50 A 26 SER N A 26 SER CA A 26 SER C A 27 ALA N 1.0 -54.2 -14.2 PSI 51 51 A 26 SER C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -88.4 -48.4 PHI 52 52 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 ILE N 1.0 -60.5 -20.5 PSI 53 53 A 27 ALA C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -85.5 -45.5 PHI 54 54 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 SER N 1.0 -58.9 -18.9 PSI 55 55 A 28 ILE C A 29 SER N A 29 SER CA A 29 SER C 1.0 -84.5 -44.5 PHI 56 56 A 29 SER N A 29 SER CA A 29 SER C A 30 GLN N 1.0 -60.2 -20.2 PSI 57 57 A 29 SER C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -84.9 -44.9 PHI 58 58 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 TRP N 1.0 -61.5 -21.5 PSI 59 59 A 30 GLN C A 31 TRP N A 31 TRP CA A 31 TRP C 1.0 -81.1 -41.1 PHI 60 60 A 31 TRP N A 31 TRP CA A 31 TRP C A 32 ARG N 1.0 -60.9 -20.9 PSI 61 61 A 31 TRP C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -84.1 -44.1 PHI 62 62 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 ALA N 1.0 -60.7 -20.7 PSI 63 63 A 32 ARG C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -88.8 -48.8 PHI 64 64 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 ARG N 1.0 -50.7 -10.7 PSI 65 65 A 33 ALA C A 34 ARG N A 34 ARG CA A 34 ARG C 1.0 -112.8 -72.1 PHI 66 66 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 GLY N 1.0 -28.9 22.4 PSI 67 67 A 34 ARG C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 53.0 94.6 PHI 68 68 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 ARG N 1.0 -6.3 52.9 PSI 69 69 A 35 GLY C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -165.7 -99.6 PHI 70 70 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 VAL N 1.0 136.8 176.8 PSI 71 71 A 36 ARG C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -122.6 -50.2 PHI 72 72 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 PRO N 1.0 91.3 159.5 PSI 73 73 A 38 PRO N A 38 PRO CA A 38 PRO C A 39 ALA N 1.0 128.0 168.0 PSI 74 74 A 38 PRO C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -79.3 -39.3 PHI 75 75 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 GLY N 1.0 118.2 158.2 PSI 76 76 A 41 ARG C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -80.8 -40.8 PHI 77 77 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 ILE N 1.0 -58.4 -18.4 PSI 78 78 A 42 CYS C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -86.3 -46.3 PHI 79 79 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 ASP N 1.0 -57.1 -17.1 PSI 80 80 A 43 ILE C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -87.7 -47.7 PHI 81 81 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 ILE N 1.0 -57.1 -17.1 PSI 82 82 A 44 ASP C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -88.6 -48.6 PHI 83 83 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 GLU N 1.0 -56.3 -16.3 PSI 84 84 A 45 ILE C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -84.3 -44.3 PHI 85 85 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 LEU N 1.0 -49.9 -9.9 PSI 86 86 A 46 GLU C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -90.0 -50.0 PHI 87 87 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 TYR N 1.0 -45.7 -5.7 PSI 88 88 A 47 LEU C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -126.6 -86.6 PHI 89 89 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 THR N 1.0 -25.8 27.9 PSI 90 90 A 49 THR C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -141.2 -31.3 PHI 91 91 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 GLY N 1.0 -69.8 42.1 PSI 92 92 A 51 GLY C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -90.3 -50.3 PHI 93 93 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 VAL N 1.0 -51.3 -11.3 PSI 94 94 A 52 ARG C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -151.2 -108.2 PHI 95 95 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 GLU N 1.0 112.9 171.8 PSI 96 96 A 53 VAL C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -102.9 -62.9 PHI 97 97 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 CYS N 1.0 92.2 150.4 PSI 98 98 A 54 GLU C A 55 CYS N A 55 CYS CA A 55 CYS C 1.0 -96.3 -52.2 PHI 99 99 A 55 CYS N A 55 CYS CA A 55 CYS C A 56 ARG N 1.0 105.9 145.9 PSI 100 100 A 55 CYS C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -146.6 -93.2 PHI 101 101 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 GLU N 1.0 115.4 173.2 PSI 102 102 A 56 ARG C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -141.2 -91.2 PHI 103 103 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 LEU N 1.0 116.5 162.2 PSI 104 104 A 57 GLU C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -97.9 -54.9 PHI 105 105 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 ARG N 1.0 113.7 160.0 PSI 106 106 A 58 LEU C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -87.5 -47.5 PHI 107 107 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 PRO N 1.0 117.6 164.2 PSI 108 108 A 4 ILE N A 4 ILE CA A 4 ILE CB A 4 ILE CG1 1.0 -100.0 -20.0 CHI1 109 109 A 6 ILE N A 6 ILE CA A 6 ILE CB A 6 ILE CG1 1.0 -100.0 -20.0 CHI1 110 110 A 8 ILE N A 8 ILE CA A 8 ILE CB A 8 ILE CG1 1.0 -100.0 -20.0 CHI1 111 111 A 11 LEU N A 11 LEU CA A 11 LEU CB A 11 LEU CG 1.0 -100.0 -20.0 CHI1 112 112 A 13 SER N A 13 SER CA A 13 SER CB A 13 SER OG 1.0 20.0 100.0 CHI1 113 113 A 14 VAL N A 14 VAL CA A 14 VAL CB A 14 VAL CG1 1.0 -220.0 -140.0 CHI1 114 114 A 21 LEU N A 21 LEU CA A 21 LEU CB A 21 LEU CG 1.0 -100.0 -20.0 CHI1 115 115 A 23 VAL N A 23 VAL CA A 23 VAL CB A 23 VAL CG1 1.0 -100.0 -20.0 CHI1 116 116 A 28 ILE N A 28 ILE CA A 28 ILE CB A 28 ILE CG1 1.0 -100.0 -20.0 CHI1 117 117 A 43 ILE N A 43 ILE CA A 43 ILE CB A 43 ILE CG1 1.0 -100.0 -20.0 CHI1 118 118 A 45 ILE N A 45 ILE CA A 45 ILE CB A 45 ILE CG1 1.0 -100.0 -20.0 CHI1 119 119 A 48 TYR N A 48 TYR CA A 48 TYR CB A 48 TYR CG 1.0 -100.0 -20.0 CHI1 120 120 A 49 THR N A 49 THR CA A 49 THR CB A 49 THR OG1 1.0 20.0 100.0 CHI1 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 30 . aliased . . 2 ppm . . 12 . aliased . . 3 ppm . . 4 . . . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 64 . aliased . . 2 ppm . . 12 . aliased . . 3 ppm . . 12 . . . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 28 . aliased . . 2 ppm . . 12 . aliased . . 3 ppm . . 12 . . . . stop_ save_