data_nef_c19299_2m9u 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 HIS start . . 2 A 2 HIS middle . . 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 SER middle . . 8 A 8 HIS middle . . 9 A 9 MET middle . . 10 A 10 VAL middle . . 11 A 11 GLY middle . false 12 A 12 ASP middle . . 13 A 13 THR middle . . 14 A 14 VAL middle . . 15 A 15 TRP middle . . 16 A 16 VAL middle . . 17 A 17 ARG middle . . 18 A 18 ARG middle . . 19 A 19 HIS middle . . 20 A 20 GLN middle . . 21 A 21 THR middle . . 22 A 22 LYS middle . . 23 A 23 ASN middle . . 24 A 24 LEU middle . . 25 A 25 GLU middle . . 26 A 26 PRO middle . false 27 A 27 ARG middle . . 28 A 28 TRP middle . . 29 A 29 LYS middle . . 30 A 30 GLY middle . false 31 A 31 PRO middle . false 32 A 32 TYR middle . . 33 A 33 THR middle . true 34 A 34 VAL middle . . 35 A 35 LEU middle . . 36 A 36 LEU middle . . 37 A 37 THR middle . . 38 A 38 THR middle . . 39 A 39 PRO middle . false 40 A 40 THR middle . . 41 A 41 ALA middle . . 42 A 42 LEU middle . . 43 A 43 LYS middle . . 44 A 44 VAL middle . . 45 A 45 ASP middle . . 46 A 46 GLY middle . false 47 A 47 ILE middle . . 48 A 48 ALA middle . . 49 A 49 ALA middle . . 50 A 50 TRP middle . . 51 A 51 ILE middle . . 52 A 52 HIS middle . . 53 A 53 ALA middle . . 54 A 54 ALA middle . . 55 A 55 HIS middle . . 56 A 56 VAL middle . . 57 A 57 LYS middle . . 58 A 58 ALA middle . . 59 A 59 ALA middle . . 60 A 60 ASP middle . . 61 A 61 PRO middle . false 62 A 62 GLY middle . false 63 A 63 GLY middle . false 64 A 64 GLY middle . false 65 A 65 PRO middle . false 66 A 66 SER middle . . 67 A 67 SER middle . . 68 A 68 ARG middle . . 69 A 69 LEU middle . . 70 A 70 THR middle . . 71 A 71 TRP middle . . 72 A 72 ARG middle . . 73 A 73 VAL middle . . 74 A 74 GLN middle . . 75 A 75 ARG middle . . 76 A 76 SER middle . . 77 A 77 GLN middle . . 78 A 78 ASN middle . . 79 A 79 PRO middle . false 80 A 80 LEU middle . . 81 A 81 LYS middle . . 82 A 82 ILE middle . . 83 A 83 ARG middle . . 84 A 84 LEU middle . . 85 A 85 THR middle . . 86 A 86 ARG middle . . 87 A 87 GLU middle . . 88 A 88 ALA middle . . 89 A 89 PRO end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 5 HIS HB2 H 1 3.120 0.020 A 5 HIS C C 13 174.545 0.400 A 6 HIS H H 1 7.719 0.020 A 6 HIS HA H 1 4.707 0.020 A 6 HIS HBy H 1 3.214 0.020 A 6 HIS HBx H 1 2.974 0.020 A 6 HIS C C 13 174.859 0.400 A 6 HIS CA C 13 55.565 0.400 A 6 HIS CB C 13 32.551 0.400 A 6 HIS N N 15 118.404 0.400 A 7 SER H H 1 8.432 0.020 A 7 SER HA H 1 4.460 0.020 A 7 SER HBy H 1 3.748 0.020 A 7 SER HBx H 1 3.739 0.020 A 7 SER C C 13 174.262 0.400 A 7 SER CA C 13 57.598 0.400 A 7 SER CB C 13 63.934 0.400 A 7 SER N N 15 116.093 0.400 A 8 HIS H H 1 9.934 0.020 A 8 HIS HA H 1 4.634 0.020 A 8 HIS HBy H 1 3.070 0.020 A 8 HIS HBx H 1 2.720 0.020 A 8 HIS C C 13 175.023 0.400 A 8 HIS CA C 13 56.896 0.400 A 8 HIS CB C 13 30.817 0.400 A 8 HIS N N 15 124.491 0.400 A 9 MET H H 1 8.910 0.020 A 9 MET HA H 1 4.815 0.020 A 9 MET HBx H 1 1.968 0.020 A 9 MET HBy H 1 1.971 0.020 A 9 MET HE% H 1 2.047 0.020 A 9 MET HGy H 1 2.631 0.020 A 9 MET HGx H 1 2.491 0.020 A 9 MET C C 13 176.061 0.400 A 9 MET CA C 13 53.147 0.400 A 9 MET CB C 13 35.249 0.400 A 9 MET CE C 13 17.330 0.400 A 9 MET CG C 13 32.326 0.400 A 9 MET N N 15 122.163 0.400 A 10 VAL H H 1 8.326 0.020 A 10 VAL HA H 1 3.188 0.020 A 10 VAL HB H 1 1.880 0.020 A 10 VAL HGx% H 1 0.945 0.020 A 10 VAL HGy% H 1 1.031 0.020 A 10 VAL C C 13 177.350 0.400 A 10 VAL CA C 13 65.918 0.400 A 10 VAL CB C 13 31.461 0.400 A 10 VAL CG1 C 13 21.117 0.400 A 10 VAL CG2 C 13 22.659 0.400 A 10 VAL N N 15 120.669 0.400 A 11 GLY H H 1 8.998 0.020 A 11 GLY HAy H 1 4.490 0.020 A 11 GLY HAx H 1 3.478 0.020 A 11 GLY C C 13 174.532 0.400 A 11 GLY CA C 13 44.822 0.400 A 11 GLY N N 15 116.617 0.400 A 12 ASP H H 1 8.188 0.020 A 12 ASP HA H 1 4.660 0.020 A 12 ASP HBx H 1 2.832 0.020 A 12 ASP HBy H 1 2.935 0.020 A 12 ASP C C 13 175.154 0.400 A 12 ASP CA C 13 55.101 0.400 A 12 ASP CB C 13 41.230 0.400 A 12 ASP N N 15 122.028 0.400 A 13 THR H H 1 8.525 0.020 A 13 THR HA H 1 5.151 0.020 A 13 THR HB H 1 3.842 0.020 A 13 THR HG2% H 1 0.996 0.020 A 13 THR C C 13 175.010 0.400 A 13 THR CA C 13 61.250 0.400 A 13 THR CB C 13 69.772 0.400 A 13 THR CG2 C 13 22.596 0.400 A 13 THR N N 15 114.450 0.400 A 14 VAL H H 1 9.244 0.020 A 14 VAL HA H 1 5.055 0.020 A 14 VAL HB H 1 2.094 0.020 A 14 VAL HGx% H 1 0.350 0.020 A 14 VAL HGy% H 1 0.412 0.020 A 14 VAL C C 13 174.135 0.400 A 14 VAL CA C 13 58.858 0.400 A 14 VAL CB C 13 36.362 0.400 A 14 VAL CG1 C 13 21.509 0.400 A 14 VAL CG2 C 13 17.979 0.400 A 14 VAL N N 15 117.056 0.400 A 15 TRP H H 1 9.166 0.020 A 15 TRP HA H 1 5.204 0.020 A 15 TRP HBy H 1 3.286 0.020 A 15 TRP HBx H 1 2.726 0.020 A 15 TRP HD1 H 1 6.690 0.020 A 15 TRP HE1 H 1 10.188 0.020 A 15 TRP HE3 H 1 7.233 0.020 A 15 TRP HH2 H 1 7.079 0.020 A 15 TRP HZ2 H 1 7.321 0.020 A 15 TRP HZ3 H 1 6.842 0.020 A 15 TRP C C 13 175.851 0.400 A 15 TRP CA C 13 56.645 0.400 A 15 TRP CB C 13 32.709 0.400 A 15 TRP CD1 C 13 125.771 0.400 A 15 TRP CE3 C 13 120.144 0.400 A 15 TRP CH2 C 13 124.707 0.400 A 15 TRP CZ2 C 13 114.380 0.400 A 15 TRP CZ3 C 13 122.143 0.400 A 15 TRP N N 15 121.326 0.400 A 15 TRP NE1 N 15 128.957 0.400 A 16 VAL H H 1 9.570 0.020 A 16 VAL HA H 1 5.365 0.020 A 16 VAL HB H 1 1.962 0.020 A 16 VAL HGx% H 1 0.895 0.020 A 16 VAL HGy% H 1 0.800 0.020 A 16 VAL C C 13 175.237 0.400 A 16 VAL CA C 13 60.513 0.400 A 16 VAL CB C 13 35.698 0.400 A 16 VAL CG1 C 13 21.556 0.400 A 16 VAL CG2 C 13 21.570 0.400 A 16 VAL N N 15 118.297 0.400 A 17 ARG H H 1 8.805 0.020 A 17 ARG HA H 1 3.903 0.020 A 17 ARG HBy H 1 1.081 0.020 A 17 ARG HBx H 1 0.580 0.020 A 17 ARG HDy H 1 2.498 0.020 A 17 ARG HDx H 1 2.344 0.020 A 17 ARG HGy H 1 0.868 0.020 A 17 ARG HGx H 1 0.584 0.020 A 17 ARG C C 13 175.496 0.400 A 17 ARG CA C 13 55.782 0.400 A 17 ARG CB C 13 30.427 0.400 A 17 ARG CD C 13 43.029 0.400 A 17 ARG CG C 13 26.380 0.400 A 17 ARG N N 15 128.940 0.400 A 19 HIS HA H 1 4.271 0.020 A 19 HIS HBy H 1 3.017 0.020 A 19 HIS HBx H 1 1.765 0.020 A 19 HIS C C 13 173.602 0.400 A 19 HIS CA C 13 53.082 0.400 A 19 HIS CB C 13 28.957 0.400 A 20 GLN H H 1 7.421 0.020 A 20 GLN C C 13 173.859 0.400 A 20 GLN CA C 13 55.970 0.400 A 20 GLN CB C 13 27.849 0.400 A 20 GLN N N 15 118.643 0.400 A 22 LYS HA H 1 4.223 0.020 A 22 LYS C C 13 176.277 0.400 A 22 LYS CA C 13 57.043 0.400 A 22 LYS CB C 13 32.167 0.400 A 23 ASN H H 1 8.267 0.020 A 23 ASN HA H 1 4.522 0.020 A 23 ASN HBy H 1 2.796 0.020 A 23 ASN HBx H 1 2.748 0.020 A 23 ASN C C 13 174.726 0.400 A 23 ASN CA C 13 54.275 0.400 A 23 ASN CB C 13 38.452 0.400 A 23 ASN N N 15 117.134 0.400 A 24 LEU H H 1 7.961 0.020 A 24 LEU HA H 1 4.249 0.020 A 24 LEU HBy H 1 1.637 0.020 A 24 LEU HBx H 1 1.576 0.020 A 24 LEU C C 13 176.612 0.400 A 24 LEU CA C 13 55.254 0.400 A 24 LEU CB C 13 41.989 0.400 A 24 LEU CD1 C 13 24.766 0.400 A 24 LEU CD2 C 13 23.357 0.400 A 24 LEU CG C 13 26.956 0.400 A 24 LEU N N 15 119.909 0.400 A 25 GLU H H 1 8.161 0.020 A 25 GLU C C 13 174.595 0.400 A 25 GLU CA C 13 54.570 0.400 A 25 GLU CB C 13 29.557 0.400 A 25 GLU N N 15 121.784 0.400 A 28 TRP HA H 1 4.976 0.020 A 28 TRP HBx H 1 2.915 0.020 A 28 TRP HBy H 1 3.108 0.020 A 28 TRP HD1 H 1 7.137 0.020 A 28 TRP HE1 H 1 10.079 0.020 A 28 TRP HE3 H 1 7.273 0.020 A 28 TRP HH2 H 1 7.073 0.020 A 28 TRP HZ2 H 1 7.458 0.020 A 28 TRP HZ3 H 1 6.987 0.020 A 28 TRP C C 13 175.753 0.400 A 28 TRP CA C 13 56.813 0.400 A 28 TRP CB C 13 31.384 0.400 A 28 TRP CD1 C 13 127.635 0.400 A 28 TRP CE3 C 13 119.822 0.400 A 28 TRP CH2 C 13 124.138 0.400 A 28 TRP CZ2 C 13 114.636 0.400 A 28 TRP CZ3 C 13 123.197 0.400 A 28 TRP NE1 N 15 128.842 0.400 A 29 LYS H H 1 9.740 0.020 A 29 LYS HA H 1 5.047 0.020 A 29 LYS HBx H 1 1.995 0.020 A 29 LYS HBy H 1 2.082 0.020 A 29 LYS C C 13 174.504 0.400 A 29 LYS CA C 13 54.594 0.400 A 29 LYS CB C 13 36.119 0.400 A 29 LYS N N 15 123.154 0.400 A 30 GLY H H 1 8.048 0.020 A 30 GLY HAy H 1 3.544 0.020 A 30 GLY HAx H 1 2.293 0.020 A 30 GLY CA C 13 43.352 0.400 A 30 GLY N N 15 109.316 0.400 A 31 PRO HA H 1 3.466 0.020 A 31 PRO HBy H 1 1.411 0.020 A 31 PRO HBx H 1 1.127 0.020 A 31 PRO HDy H 1 3.149 0.020 A 31 PRO HDx H 1 3.026 0.020 A 31 PRO HGy H 1 1.450 0.020 A 31 PRO HGx H 1 1.237 0.020 A 31 PRO C C 13 174.912 0.400 A 31 PRO CA C 13 62.064 0.400 A 31 PRO CB C 13 34.550 0.400 A 31 PRO CD C 13 49.723 0.400 A 31 PRO CG C 13 24.209 0.400 A 32 TYR H H 1 9.099 0.020 A 32 TYR HA H 1 4.951 0.020 A 32 TYR HBy H 1 2.992 0.020 A 32 TYR HBx H 1 2.240 0.020 A 32 TYR HD1 H 1 7.128 0.020 A 32 TYR HD2 H 1 7.128 0.020 A 32 TYR HE1 H 1 6.555 0.020 A 32 TYR HE2 H 1 6.555 0.020 A 32 TYR C C 13 174.863 0.400 A 32 TYR CA C 13 56.657 0.400 A 32 TYR CB C 13 43.240 0.400 A 32 TYR CD1 C 13 133.677 0.400 A 32 TYR CD2 C 13 133.677 0.400 A 32 TYR CE1 C 13 118.031 0.400 A 32 TYR CE2 C 13 118.031 0.400 A 32 TYR N N 15 119.021 0.400 A 33 THR H H 1 9.139 0.020 A 33 THR HA H 1 4.859 0.020 A 33 THR HB H 1 3.845 0.020 A 33 THR HG2% H 1 1.094 0.020 A 33 THR C C 13 174.637 0.400 A 33 THR CA C 13 62.479 0.400 A 33 THR CB C 13 69.925 0.400 A 33 THR CG2 C 13 21.596 0.400 A 33 THR N N 15 117.959 0.400 A 34 VAL H H 1 8.991 0.020 A 34 VAL HA H 1 3.717 0.020 A 34 VAL HB H 1 2.296 0.020 A 34 VAL HGx% H 1 0.725 0.020 A 34 VAL HGy% H 1 0.816 0.020 A 34 VAL C C 13 175.991 0.400 A 34 VAL CA C 13 64.501 0.400 A 34 VAL CB C 13 32.102 0.400 A 34 VAL CG1 C 13 23.215 0.400 A 34 VAL CG2 C 13 24.161 0.400 A 34 VAL N N 15 125.911 0.400 A 35 LEU H H 1 9.552 0.020 A 35 LEU HA H 1 4.506 0.020 A 35 LEU HBy H 1 1.370 0.020 A 35 LEU HBx H 1 1.318 0.020 A 35 LEU HDx% H 1 0.709 0.020 A 35 LEU HDy% H 1 0.749 0.020 A 35 LEU HG H 1 1.504 0.020 A 35 LEU C C 13 175.643 0.400 A 35 LEU CA C 13 55.951 0.400 A 35 LEU CB C 13 44.809 0.400 A 35 LEU CD1 C 13 25.383 0.400 A 35 LEU CD2 C 13 22.615 0.400 A 35 LEU CG C 13 26.704 0.400 A 35 LEU N N 15 129.958 0.400 A 36 LEU H H 1 7.562 0.020 A 36 LEU HA H 1 4.746 0.020 A 36 LEU HBy H 1 1.611 0.020 A 36 LEU HBx H 1 1.454 0.020 A 36 LEU HDx% H 1 0.879 0.020 A 36 LEU HDy% H 1 1.009 0.020 A 36 LEU HG H 1 1.519 0.020 A 36 LEU C C 13 175.616 0.400 A 36 LEU CA C 13 54.495 0.400 A 36 LEU CB C 13 47.953 0.400 A 36 LEU CD1 C 13 25.332 0.400 A 36 LEU CD2 C 13 24.612 0.400 A 36 LEU CG C 13 27.214 0.400 A 36 LEU N N 15 116.778 0.400 A 37 THR H H 1 8.676 0.020 A 37 THR HA H 1 5.329 0.020 A 37 THR HB H 1 4.492 0.020 A 37 THR HG2% H 1 1.194 0.020 A 37 THR C C 13 173.156 0.400 A 37 THR CA C 13 60.792 0.400 A 37 THR CB C 13 72.376 0.400 A 37 THR CG2 C 13 22.046 0.400 A 37 THR N N 15 110.432 0.400 A 38 THR H H 1 8.956 0.020 A 38 THR HA H 1 4.880 0.020 A 38 THR HB H 1 4.589 0.020 A 38 THR HG2% H 1 0.889 0.020 A 38 THR C C 13 173.385 0.400 A 38 THR CA C 13 60.081 0.400 A 38 THR CB C 13 68.967 0.400 A 38 THR CG2 C 13 22.175 0.400 A 38 THR N N 15 115.018 0.400 A 39 PRO HA H 1 4.131 0.020 A 39 PRO HB2 H 1 2.258 0.020 A 39 PRO C C 13 176.856 0.400 A 39 PRO CA C 13 66.149 0.400 A 39 PRO CB C 13 32.233 0.400 A 40 THR H H 1 7.491 0.020 A 40 THR HA H 1 4.617 0.020 A 40 THR HB H 1 4.286 0.020 A 40 THR HG2% H 1 1.028 0.020 A 40 THR C C 13 174.315 0.400 A 40 THR CA C 13 61.005 0.400 A 40 THR CB C 13 70.903 0.400 A 40 THR CG2 C 13 21.846 0.400 A 40 THR N N 15 129.925 0.400 A 41 ALA H H 1 7.931 0.020 A 41 ALA HA H 1 5.126 0.020 A 41 ALA HB% H 1 1.256 0.020 A 41 ALA C C 13 174.744 0.400 A 41 ALA CA C 13 51.778 0.400 A 41 ALA CB C 13 23.787 0.400 A 41 ALA N N 15 125.989 0.400 A 42 LEU H H 1 9.335 0.020 A 42 LEU HA H 1 5.244 0.020 A 42 LEU HBy H 1 1.789 0.020 A 42 LEU HBx H 1 1.639 0.020 A 42 LEU HDx% H 1 0.553 0.020 A 42 LEU HDy% H 1 0.542 0.020 A 42 LEU HG H 1 1.530 0.020 A 42 LEU C C 13 173.985 0.400 A 42 LEU CA C 13 54.991 0.400 A 42 LEU CB C 13 45.550 0.400 A 42 LEU CD1 C 13 25.696 0.400 A 42 LEU CD2 C 13 27.189 0.400 A 42 LEU CG C 13 27.192 0.400 A 42 LEU N N 15 116.739 0.400 A 43 LYS H H 1 8.448 0.020 A 43 LYS HA H 1 4.641 0.020 A 43 LYS HBy H 1 1.200 0.020 A 43 LYS HBx H 1 0.272 0.020 A 43 LYS HD2 H 1 0.764 0.020 A 43 LYS HD3 H 1 0.764 0.020 A 43 LYS HE2 H 1 2.108 0.020 A 43 LYS HE3 H 1 2.108 0.020 A 43 LYS HGx H 1 0.346 0.020 A 43 LYS HGy H 1 0.568 0.020 A 43 LYS C C 13 176.581 0.400 A 43 LYS CA C 13 54.389 0.400 A 43 LYS CB C 13 35.302 0.400 A 43 LYS CD C 13 28.904 0.400 A 43 LYS CE C 13 41.393 0.400 A 43 LYS CG C 13 24.682 0.400 A 43 LYS N N 15 120.306 0.400 A 44 VAL H H 1 9.770 0.020 A 44 VAL HA H 1 5.052 0.020 A 44 VAL HB H 1 1.943 0.020 A 44 VAL HGx% H 1 0.396 0.020 A 44 VAL HGy% H 1 0.279 0.020 A 44 VAL C C 13 175.349 0.400 A 44 VAL CA C 13 57.883 0.400 A 44 VAL CB C 13 34.585 0.400 A 44 VAL CG1 C 13 20.850 0.400 A 44 VAL CG2 C 13 19.067 0.400 A 44 VAL N N 15 118.479 0.400 A 45 ASP H H 1 8.512 0.020 A 45 ASP HA H 1 4.305 0.020 A 45 ASP HBx H 1 2.469 0.020 A 45 ASP HBy H 1 2.930 0.020 A 45 ASP C C 13 176.958 0.400 A 45 ASP CA C 13 55.504 0.400 A 45 ASP CB C 13 40.602 0.400 A 45 ASP N N 15 120.819 0.400 A 46 GLY H H 1 8.213 0.020 A 46 GLY HAy H 1 4.275 0.020 A 46 GLY HAx H 1 3.636 0.020 A 46 GLY C C 13 173.626 0.400 A 46 GLY CA C 13 45.122 0.400 A 46 GLY N N 15 111.680 0.400 A 47 ILE H H 1 6.978 0.020 A 47 ILE HB H 1 1.490 0.020 A 47 ILE HD1% H 1 0.248 0.020 A 47 ILE HG1y H 1 0.829 0.020 A 47 ILE HG1x H 1 0.639 0.020 A 47 ILE HG2% H 1 0.818 0.020 A 47 ILE C C 13 175.902 0.400 A 47 ILE CA C 13 60.846 0.400 A 47 ILE CB C 13 40.017 0.400 A 47 ILE CD1 C 13 12.727 0.400 A 47 ILE CG1 C 13 26.999 0.400 A 47 ILE CG2 C 13 16.866 0.400 A 47 ILE N N 15 119.922 0.400 A 48 ALA HA H 1 4.068 0.020 A 48 ALA HB% H 1 1.319 0.020 A 48 ALA C C 13 177.386 0.400 A 48 ALA CA C 13 54.375 0.400 A 48 ALA CB C 13 18.557 0.400 A 49 ALA H H 1 7.247 0.020 A 49 ALA HA H 1 4.323 0.020 A 49 ALA HB% H 1 1.322 0.020 A 49 ALA C C 13 176.929 0.400 A 49 ALA CA C 13 51.713 0.400 A 49 ALA CB C 13 20.417 0.400 A 49 ALA N N 15 119.937 0.400 A 50 TRP H H 1 8.200 0.020 A 50 TRP HA H 1 4.254 0.020 A 50 TRP HBy H 1 2.942 0.020 A 50 TRP HBx H 1 2.868 0.020 A 50 TRP HD1 H 1 7.351 0.020 A 50 TRP HE1 H 1 10.148 0.020 A 50 TRP HE3 H 1 7.165 0.020 A 50 TRP HH2 H 1 6.961 0.020 A 50 TRP HZ2 H 1 7.401 0.020 A 50 TRP HZ3 H 1 6.682 0.020 A 50 TRP C C 13 176.677 0.400 A 50 TRP CA C 13 58.773 0.400 A 50 TRP CB C 13 29.631 0.400 A 50 TRP CD1 C 13 127.292 0.400 A 50 TRP CE3 C 13 120.190 0.400 A 50 TRP CH2 C 13 125.209 0.400 A 50 TRP CZ2 C 13 114.622 0.400 A 50 TRP CZ3 C 13 121.816 0.400 A 50 TRP N N 15 118.746 0.400 A 50 TRP NE1 N 15 129.435 0.400 A 51 ILE H H 1 9.554 0.020 A 51 ILE HA H 1 4.331 0.020 A 51 ILE HB H 1 1.667 0.020 A 51 ILE HD1% H 1 0.646 0.020 A 51 ILE HG1y H 1 1.440 0.020 A 51 ILE HG1x H 1 1.117 0.020 A 51 ILE HG2% H 1 1.001 0.020 A 51 ILE C C 13 175.757 0.400 A 51 ILE CA C 13 59.648 0.400 A 51 ILE CB C 13 40.132 0.400 A 51 ILE CD1 C 13 14.018 0.400 A 51 ILE CG1 C 13 26.675 0.400 A 51 ILE CG2 C 13 18.512 0.400 A 51 ILE N N 15 124.414 0.400 A 52 HIS H H 1 8.971 0.020 A 52 HIS HA H 1 4.370 0.020 A 52 HIS HB2 H 1 2.968 0.020 A 52 HIS HB3 H 1 2.968 0.020 A 52 HIS C C 13 176.935 0.400 A 52 HIS CA C 13 58.564 0.400 A 52 HIS CB C 13 31.006 0.400 A 52 HIS N N 15 127.262 0.400 A 53 ALA H H 1 7.944 0.020 A 53 ALA HA H 1 3.746 0.020 A 53 ALA HB% H 1 1.205 0.020 A 53 ALA C C 13 178.206 0.400 A 53 ALA CA C 13 55.514 0.400 A 53 ALA CB C 13 18.490 0.400 A 53 ALA N N 15 126.045 0.400 A 54 ALA H H 1 9.490 0.020 A 54 ALA HA H 1 4.277 0.020 A 54 ALA HB% H 1 1.233 0.020 A 54 ALA C C 13 178.935 0.400 A 54 ALA CA C 13 54.360 0.400 A 54 ALA CB C 13 18.382 0.400 A 54 ALA N N 15 119.749 0.400 A 55 HIS H H 1 8.305 0.020 A 55 HIS HA H 1 4.910 0.020 A 55 HIS HBx H 1 3.210 0.020 A 55 HIS HBy H 1 3.636 0.020 A 55 HIS C C 13 173.163 0.400 A 55 HIS CA C 13 54.338 0.400 A 55 HIS CB C 13 31.247 0.400 A 55 HIS N N 15 116.716 0.400 A 56 VAL H H 1 7.535 0.020 A 56 VAL HA H 1 5.512 0.020 A 56 VAL HB H 1 1.937 0.020 A 56 VAL HGx% H 1 0.584 0.020 A 56 VAL HGy% H 1 0.732 0.020 A 56 VAL C C 13 174.918 0.400 A 56 VAL CA C 13 60.455 0.400 A 56 VAL CB C 13 34.594 0.400 A 56 VAL CG1 C 13 21.679 0.400 A 56 VAL CG2 C 13 21.173 0.400 A 56 VAL N N 15 115.531 0.400 A 57 LYS H H 1 8.900 0.020 A 57 LYS HA H 1 4.776 0.020 A 57 LYS HBy H 1 1.337 0.020 A 57 LYS HBx H 1 1.304 0.020 A 57 LYS C C 13 174.805 0.400 A 57 LYS CA C 13 54.818 0.400 A 57 LYS CB C 13 36.404 0.400 A 57 LYS N N 15 123.219 0.400 A 58 ALA H H 1 8.886 0.020 A 58 ALA HA H 1 4.444 0.020 A 58 ALA HB% H 1 1.561 0.020 A 58 ALA C C 13 176.563 0.400 A 58 ALA CA C 13 52.957 0.400 A 58 ALA CB C 13 19.734 0.400 A 58 ALA N N 15 124.998 0.400 A 59 ALA H H 1 7.940 0.020 A 59 ALA HA H 1 4.226 0.020 A 59 ALA HB% H 1 0.996 0.020 A 59 ALA C C 13 176.264 0.400 A 59 ALA CA C 13 51.728 0.400 A 59 ALA CB C 13 19.694 0.400 A 59 ALA N N 15 121.855 0.400 A 60 ASP H H 1 8.050 0.020 A 60 ASP C C 13 175.009 0.400 A 60 ASP CA C 13 55.450 0.400 A 60 ASP CB C 13 41.320 0.400 A 60 ASP N N 15 121.270 0.400 A 61 PRO HA H 1 4.298 0.020 A 61 PRO HBx H 1 1.856 0.020 A 61 PRO HBy H 1 2.085 0.020 A 61 PRO C C 13 177.638 0.400 A 61 PRO CA C 13 63.752 0.400 A 61 PRO CB C 13 31.843 0.400 A 61 PRO CD C 13 50.643 0.400 A 61 PRO CG C 13 26.937 0.400 A 62 GLY H H 1 8.469 0.020 A 62 GLY HAx H 1 3.871 0.020 A 62 GLY HAy H 1 3.875 0.020 A 62 GLY C C 13 174.650 0.400 A 62 GLY CA C 13 45.326 0.400 A 62 GLY N N 15 108.579 0.400 A 63 GLY H H 1 8.082 0.020 A 63 GLY HAy H 1 3.940 0.020 A 63 GLY HAx H 1 3.938 0.020 A 63 GLY C C 13 174.471 0.400 A 63 GLY CA C 13 45.212 0.400 A 63 GLY N N 15 108.449 0.400 A 64 GLY H H 1 8.157 0.020 A 64 GLY HA2 H 1 4.036 0.020 A 64 GLY HA3 H 1 4.036 0.020 A 64 GLY C C 13 172.150 0.400 A 64 GLY CA C 13 44.663 0.400 A 64 GLY N N 15 108.899 0.400 A 65 PRO HA H 1 4.302 0.020 A 65 PRO HBy H 1 2.154 0.020 A 65 PRO HBx H 1 1.856 0.020 A 65 PRO HDy H 1 3.671 0.020 A 65 PRO HDx H 1 3.584 0.020 A 65 PRO HG2 H 1 1.942 0.020 A 65 PRO HG3 H 1 1.943 0.020 A 65 PRO C C 13 177.620 0.400 A 65 PRO CA C 13 63.774 0.400 A 65 PRO CB C 13 31.992 0.400 A 65 PRO CD C 13 50.111 0.400 A 65 PRO CG C 13 27.168 0.400 A 66 SER H H 1 8.380 0.020 A 66 SER HA H 1 4.371 0.020 A 66 SER HBy H 1 3.882 0.020 A 66 SER HBx H 1 3.819 0.020 A 66 SER C C 13 174.868 0.400 A 66 SER CA C 13 58.931 0.400 A 66 SER CB C 13 63.474 0.400 A 66 SER N N 15 115.181 0.400 A 67 SER H H 1 8.156 0.020 A 67 SER HA H 1 4.375 0.020 A 67 SER HB2 H 1 4.381 0.020 A 67 SER HB3 H 1 4.381 0.020 A 67 SER C C 13 174.708 0.400 A 67 SER CA C 13 58.865 0.400 A 67 SER CB C 13 63.764 0.400 A 67 SER N N 15 117.573 0.400 A 68 ARG H H 1 8.089 0.020 A 68 ARG HA H 1 4.211 0.020 A 68 ARG HB2 H 1 1.606 0.020 A 68 ARG HB3 H 1 1.606 0.020 A 68 ARG C C 13 176.278 0.400 A 68 ARG CA C 13 56.452 0.400 A 68 ARG CB C 13 30.492 0.400 A 68 ARG N N 15 122.016 0.400 A 69 LEU H H 1 8.055 0.020 A 69 LEU HA H 1 4.275 0.020 A 69 LEU HBy H 1 1.582 0.020 A 69 LEU HBx H 1 1.432 0.020 A 69 LEU HDx% H 1 0.844 0.020 A 69 LEU HDy% H 1 0.792 0.020 A 69 LEU HG H 1 1.544 0.020 A 69 LEU C C 13 177.562 0.400 A 69 LEU CA C 13 55.532 0.400 A 69 LEU CB C 13 42.088 0.400 A 69 LEU CD1 C 13 24.948 0.400 A 69 LEU CD2 C 13 23.285 0.400 A 69 LEU CG C 13 26.871 0.400 A 69 LEU N N 15 121.881 0.400 A 70 THR H H 1 7.881 0.020 A 70 THR HA H 1 4.225 0.020 A 70 THR HB H 1 4.168 0.020 A 70 THR HG2% H 1 1.082 0.020 A 70 THR C C 13 174.358 0.400 A 70 THR CA C 13 62.302 0.400 A 70 THR CB C 13 69.781 0.400 A 70 THR CG2 C 13 21.576 0.400 A 70 THR N N 15 113.392 0.400 A 71 TRP H H 1 7.953 0.020 A 71 TRP HA H 1 4.607 0.020 A 71 TRP HB2 H 1 3.233 0.020 A 71 TRP HB3 H 1 3.233 0.020 A 71 TRP HD1 H 1 7.195 0.020 A 71 TRP HE1 H 1 10.077 0.020 A 71 TRP HE3 H 1 7.504 0.020 A 71 TRP HH2 H 1 7.145 0.020 A 71 TRP HZ2 H 1 7.415 0.020 A 71 TRP HZ3 H 1 7.053 0.020 A 71 TRP C C 13 176.003 0.400 A 71 TRP CA C 13 57.415 0.400 A 71 TRP CB C 13 29.448 0.400 A 71 TRP CD1 C 13 127.063 0.400 A 71 TRP CE3 C 13 120.802 0.400 A 71 TRP CH2 C 13 124.608 0.400 A 71 TRP CZ2 C 13 114.635 0.400 A 71 TRP CZ3 C 13 121.966 0.400 A 71 TRP N N 15 122.803 0.400 A 71 TRP NE1 N 15 129.357 0.400 A 72 ARG H H 1 7.900 0.020 A 72 ARG HA H 1 4.125 0.020 A 72 ARG HBy H 1 1.657 0.020 A 72 ARG HBx H 1 1.559 0.020 A 72 ARG HD2 H 1 3.098 0.020 A 72 ARG HD3 H 1 3.098 0.020 A 72 ARG HG2 H 1 1.561 0.020 A 72 ARG HG3 H 1 1.561 0.020 A 72 ARG C C 13 176.101 0.400 A 72 ARG CA C 13 56.341 0.400 A 72 ARG CB C 13 30.758 0.400 A 72 ARG CD C 13 43.336 0.400 A 72 ARG CG C 13 26.940 0.400 A 72 ARG N N 15 121.933 0.400 A 73 VAL H H 1 7.914 0.020 A 73 VAL HA H 1 3.951 0.020 A 73 VAL HB H 1 1.976 0.020 A 73 VAL HGx% H 1 0.862 0.020 A 73 VAL HGy% H 1 0.891 0.020 A 73 VAL C C 13 176.091 0.400 A 73 VAL CA C 13 62.671 0.400 A 73 VAL CB C 13 32.480 0.400 A 73 VAL CG1 C 13 21.002 0.400 A 73 VAL CG2 C 13 20.977 0.400 A 73 VAL N N 15 120.647 0.400 A 74 GLN H H 1 8.353 0.020 A 74 GLN HA H 1 4.289 0.020 A 74 GLN HBy H 1 2.051 0.020 A 74 GLN HBx H 1 1.934 0.020 A 74 GLN HG2 H 1 2.312 0.020 A 74 GLN HG3 H 1 2.312 0.020 A 74 GLN C C 13 175.934 0.400 A 74 GLN CA C 13 56.102 0.400 A 74 GLN CB C 13 29.577 0.400 A 74 GLN CG C 13 33.809 0.400 A 74 GLN N N 15 123.976 0.400 A 75 ARG H H 1 8.334 0.020 A 75 ARG HA H 1 4.286 0.020 A 75 ARG HBy H 1 1.799 0.020 A 75 ARG HBx H 1 1.723 0.020 A 75 ARG HD2 H 1 3.041 0.020 A 75 ARG HD3 H 1 3.041 0.020 A 75 ARG HG2 H 1 1.327 0.020 A 75 ARG HG3 H 1 1.327 0.020 A 75 ARG C C 13 176.235 0.400 A 75 ARG CA C 13 56.282 0.400 A 75 ARG CB C 13 30.805 0.400 A 75 ARG CD C 13 43.320 0.400 A 75 ARG CG C 13 26.983 0.400 A 75 ARG N N 15 122.512 0.400 A 76 SER H H 1 8.259 0.020 A 76 SER HA H 1 4.360 0.020 A 76 SER HBx H 1 3.824 0.020 A 76 SER HBy H 1 3.827 0.020 A 76 SER C C 13 174.462 0.400 A 76 SER CA C 13 58.669 0.400 A 76 SER CB C 13 63.774 0.400 A 76 SER N N 15 116.623 0.400 A 77 GLN H H 1 8.352 0.020 A 77 GLN HA H 1 4.304 0.020 A 77 GLN HB2 H 1 1.995 0.020 A 77 GLN HB3 H 1 1.995 0.020 A 77 GLN HG2 H 1 2.181 0.020 A 77 GLN HG3 H 1 2.181 0.020 A 77 GLN C C 13 175.260 0.400 A 77 GLN CA C 13 55.846 0.400 A 77 GLN CB C 13 29.814 0.400 A 77 GLN CG C 13 33.813 0.400 A 77 GLN N N 15 121.749 0.400 A 78 ASN H H 1 8.372 0.020 A 78 ASN HA H 1 4.902 0.020 A 78 ASN HBy H 1 2.796 0.020 A 78 ASN HBx H 1 2.658 0.020 A 78 ASN C C 13 173.436 0.400 A 78 ASN CA C 13 51.412 0.400 A 78 ASN CB C 13 38.831 0.400 A 78 ASN N N 15 120.589 0.400 A 79 PRO HA H 1 4.361 0.020 A 79 PRO HBy H 1 2.257 0.020 A 79 PRO HBx H 1 1.894 0.020 A 79 PRO HDy H 1 3.746 0.020 A 79 PRO HDx H 1 3.700 0.020 A 79 PRO HG2 H 1 1.968 0.020 A 79 PRO HG3 H 1 1.968 0.020 A 79 PRO C C 13 176.886 0.400 A 79 PRO CA C 13 63.561 0.400 A 79 PRO CB C 13 32.126 0.400 A 79 PRO CD C 13 50.830 0.400 A 79 PRO CG C 13 27.202 0.400 A 80 LEU H H 1 8.130 0.020 A 80 LEU HA H 1 4.260 0.020 A 80 LEU HBy H 1 1.608 0.020 A 80 LEU HBx H 1 1.566 0.020 A 80 LEU HDx% H 1 0.847 0.020 A 80 LEU HDy% H 1 0.805 0.020 A 80 LEU HG H 1 1.541 0.020 A 80 LEU C C 13 177.331 0.400 A 80 LEU CA C 13 55.590 0.400 A 80 LEU CB C 13 42.051 0.400 A 80 LEU CD1 C 13 25.105 0.400 A 80 LEU CD2 C 13 23.100 0.400 A 80 LEU CG C 13 26.983 0.400 A 80 LEU N N 15 120.718 0.400 A 81 LYS H H 1 8.044 0.020 A 81 LYS HA H 1 4.261 0.020 A 81 LYS HBx H 1 1.703 0.020 A 81 LYS HBy H 1 1.795 0.020 A 81 LYS HDy H 1 1.634 0.020 A 81 LYS HDx H 1 1.632 0.020 A 81 LYS HE2 H 1 2.945 0.020 A 81 LYS HE3 H 1 2.945 0.020 A 81 LYS HG2 H 1 1.382 0.020 A 81 LYS HG3 H 1 1.382 0.020 A 81 LYS C C 13 176.162 0.400 A 81 LYS CA C 13 56.223 0.400 A 81 LYS CB C 13 32.670 0.400 A 81 LYS CD C 13 29.005 0.400 A 81 LYS CE C 13 42.141 0.400 A 81 LYS CG C 13 24.792 0.400 A 81 LYS N N 15 121.561 0.400 A 82 ILE H H 1 7.919 0.020 A 82 ILE HA H 1 4.087 0.020 A 82 ILE HB H 1 1.792 0.020 A 82 ILE HD1% H 1 0.805 0.020 A 82 ILE HG1y H 1 1.409 0.020 A 82 ILE HG1x H 1 1.125 0.020 A 82 ILE HG2% H 1 0.837 0.020 A 82 ILE C C 13 175.962 0.400 A 82 ILE CA C 13 61.237 0.400 A 82 ILE CB C 13 38.767 0.400 A 82 ILE CD1 C 13 12.849 0.400 A 82 ILE CG1 C 13 27.277 0.400 A 82 ILE CG2 C 13 17.430 0.400 A 82 ILE N N 15 121.662 0.400 A 83 ARG H H 1 8.320 0.020 A 83 ARG HA H 1 4.334 0.020 A 83 ARG HBy H 1 1.817 0.020 A 83 ARG HBx H 1 1.727 0.020 A 83 ARG HD2 H 1 3.155 0.020 A 83 ARG HD3 H 1 3.155 0.020 A 83 ARG HG2 H 1 1.563 0.020 A 83 ARG HG3 H 1 1.563 0.020 A 83 ARG C C 13 175.945 0.400 A 83 ARG CA C 13 55.839 0.400 A 83 ARG CB C 13 30.750 0.400 A 83 ARG CD C 13 43.280 0.400 A 83 ARG CG C 13 27.139 0.400 A 83 ARG N N 15 125.134 0.400 A 84 LEU H H 1 8.353 0.020 A 84 LEU HA H 1 4.386 0.020 A 84 LEU HBx H 1 1.561 0.020 A 84 LEU HBy H 1 1.621 0.020 A 84 LEU HDx% H 1 0.889 0.020 A 84 LEU HDy% H 1 0.825 0.020 A 84 LEU HG H 1 1.590 0.020 A 84 LEU C C 13 177.370 0.400 A 84 LEU CA C 13 55.305 0.400 A 84 LEU CB C 13 42.355 0.400 A 84 LEU CD1 C 13 24.892 0.400 A 84 LEU CD2 C 13 23.394 0.400 A 84 LEU CG C 13 26.891 0.400 A 84 LEU N N 15 124.178 0.400 A 85 THR H H 1 8.046 0.020 A 85 THR HA H 1 4.317 0.020 A 85 THR HB H 1 4.176 0.020 A 85 THR HG2% H 1 1.121 0.020 A 85 THR C C 13 174.226 0.400 A 85 THR CA C 13 61.691 0.400 A 85 THR CB C 13 69.848 0.400 A 85 THR CG2 C 13 21.629 0.400 A 85 THR N N 15 114.705 0.400 A 86 ARG H H 1 8.285 0.020 A 86 ARG HA H 1 4.315 0.020 A 86 ARG HBx H 1 1.729 0.020 A 86 ARG HBy H 1 1.803 0.020 A 86 ARG HD2 H 1 3.155 0.020 A 86 ARG HD3 H 1 3.155 0.020 A 86 ARG HGx H 1 1.741 0.020 A 86 ARG HGy H 1 1.784 0.020 A 86 ARG C C 13 175.927 0.400 A 86 ARG CA C 13 55.982 0.400 A 86 ARG CB C 13 30.830 0.400 A 86 ARG CD C 13 43.354 0.400 A 86 ARG CG C 13 27.076 0.400 A 86 ARG N N 15 122.813 0.400 A 87 GLU H H 1 8.409 0.020 A 87 GLU HA H 1 4.222 0.020 A 87 GLU HBy H 1 1.996 0.020 A 87 GLU HBx H 1 1.874 0.020 A 87 GLU HGy H 1 2.219 0.020 A 87 GLU HGx H 1 1.935 0.020 A 87 GLU C C 13 175.571 0.400 A 87 GLU CA C 13 56.610 0.400 A 87 GLU CB C 13 30.346 0.400 A 87 GLU N N 15 122.209 0.400 A 88 ALA H H 1 8.176 0.020 A 88 ALA HA H 1 4.549 0.020 A 88 ALA HB% H 1 1.320 0.020 A 88 ALA C C 13 174.397 0.400 A 88 ALA CA C 13 50.232 0.400 A 88 ALA CB C 13 18.412 0.400 A 88 ALA N N 15 126.473 0.400 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 15 TRP HD1 A 59 ALA HB% 1.0 1.8 4.76 2 2 A 15 TRP HH2 A 28 TRP HZ2 1.0 1.8 5.70 3 3 A 15 TRP HZ2 A 28 TRP HH2 1.0 1.8 4.29 4 4 A 32 TYR HD1 A 33 THR H 1.0 1.8 5.55 5 5 A 41 ALA HB% A 50 TRP HE3 1.0 1.8 5.62 6 6 A 50 TRP HE3 A 50 TRP HBx 1.0 1.8 4.84 7 7 A 16 VAL HB A 32 TYR HE2 1.0 1.8 4.43 8 8 A 16 VAL HGy% A 32 TYR HE1 1.0 1.8 4.90 9 9 A 32 TYR HE2 A 16 VAL HGy% 1.0 1.8 5.20 10 10 A 32 TYR HD1 A 32 TYR HA 1.0 1.8 4.46 11 11 A 16 VAL HB A 32 TYR HD2 1.0 1.8 5.14 12 12 A 32 TYR HD1 A 44 VAL HB 1.0 1.8 5.66 13 13 A 32 TYR HD1 A 16 VAL HGy% 1.0 1.8 4.96 14 14 A 16 VAL HGy% A 32 TYR HD2 1.0 1.8 5.11 15 15 A 32 TYR HD1 A 44 VAL HGy% 1.0 1.8 4.99 16 16 A 29 LYS HA A 30 GLY H 1.0 1.8 3.93 17 17 A 36 LEU HA A 37 THR H 1.0 1.8 3.53 18 18 A 37 THR H A 36 LEU HBy 1.0 1.8 4.84 19 19 A 37 THR H A 37 THR HG2% 1.0 1.8 4.44 20 20 A 37 THR H A 36 LEU HDy% 1.0 1.8 4.76 21 21 A 37 THR H A 36 LEU HDx% 1.0 1.8 4.85 22 22 A 45 ASP HA A 46 GLY H 1.0 1.8 3.71 23 23 A 46 GLY H A 45 ASP HBy 1.0 1.8 4.95 24 24 A 46 GLY H A 35 LEU HDx% 1.0 1.8 5.46 25 25 A 12 ASP HA A 13 THR H 1.0 1.8 3.69 26 26 A 13 THR H A 13 THR HB 1.0 1.8 4.36 27 27 A 13 THR H A 12 ASP HBy 1.0 1.8 5.22 28 28 A 13 THR H A 12 ASP HBx 1.0 1.8 5.22 29 29 A 13 THR H A 13 THR HG2% 1.0 1.8 5.03 30 30 A 13 THR H A 34 VAL HGy% 1.0 1.8 5.92 31 31 A 38 THR H A 41 ALA H 1.0 1.8 4.98 32 32 A 38 THR H A 37 THR HA 1.0 1.8 3.66 33 33 A 38 THR H A 37 THR HB 1.0 1.8 4.26 34 34 A 37 THR HG2% A 38 THR H 1.0 1.8 4.68 35 35 A 38 THR H A 38 THR HG2% 1.0 1.8 4.46 36 36 A 54 ALA HA A 56 VAL H 1.0 1.8 4.83 37 37 A 56 VAL H A 55 HIS HBx 1.0 1.8 5.16 38 38 A 56 VAL H A 56 VAL HB 1.0 1.8 4.19 39 39 A 56 VAL H A 56 VAL HGy% 1.0 1.8 4.29 40 40 A 56 VAL H A 56 VAL HGx% 1.0 1.8 4.61 41 41 A 6 HIS HA A 7 SER H 1.0 1.8 4.07 42 42 A 11 GLY H A 35 LEU HA 1.0 1.8 4.28 43 43 A 11 GLY H A 10 VAL HA 1.0 1.8 3.55 44 44 A 11 GLY H A 34 VAL HB 1.0 1.8 5.21 45 45 A 11 GLY H A 10 VAL HGy% 1.0 1.8 4.73 46 46 A 11 GLY H A 10 VAL HGx% 1.0 1.8 4.67 47 47 A 11 GLY H A 35 LEU HDy% 1.0 1.8 4.57 48 48 A 42 LEU H A 50 TRP HBy 1.0 1.8 5.64 49 49 A 42 LEU H A 51 ILE HB 1.0 1.8 5.64 50 50 A 41 ALA HB% A 42 LEU H 1.0 1.8 4.16 51 51 A 54 ALA H A 55 HIS H 1.0 1.8 4.65 52 52 A 56 VAL H A 55 HIS H 1.0 1.8 4.05 53 53 A 55 HIS H A 53 ALA HA 1.0 1.8 4.72 54 54 A 55 HIS H A 55 HIS HBy 1.0 1.8 4.53 55 55 A 55 HIS HBx A 55 HIS H 1.0 1.8 4.21 56 56 A 55 HIS H A 52 HIS HB3 1.0 1.8 4.93 57 57 A 55 HIS H A 54 ALA HB% 1.0 1.8 4.30 58 58 A 35 LEU H A 36 LEU H 1.0 1.8 3.66 59 59 A 36 LEU H A 34 VAL HA 1.0 1.8 4.67 60 60 A 36 LEU HBy A 36 LEU H 1.0 1.8 4.53 61 61 A 36 LEU H A 35 LEU HG 1.0 1.8 5.15 62 62 A 36 LEU H A 35 LEU HBy 1.0 1.8 4.43 63 63 A 36 LEU H A 35 LEU HBx 1.0 1.8 4.63 64 64 A 36 LEU H A 43 LYS HBy 1.0 1.8 4.90 65 65 A 36 LEU H A 34 VAL HGx% 1.0 1.8 3.94 66 66 A 36 LEU H A 43 LYS HBx 1.0 1.8 4.90 67 67 A 13 THR HA A 14 VAL H 1.0 1.8 3.66 68 68 A 13 THR HB A 14 VAL H 1.0 1.8 5.01 69 69 A 13 THR HG2% A 14 VAL H 1.0 1.8 4.63 70 70 A 59 ALA HB% A 14 VAL H 1.0 1.8 5.09 71 71 A 14 VAL H A 14 VAL HGy% 1.0 1.8 3.85 72 72 A 33 THR H A 32 TYR HA 1.0 1.8 3.73 73 73 A 33 THR H A 33 THR HB 1.0 1.8 4.24 74 74 A 33 THR H A 45 ASP HBy 1.0 1.8 4.76 75 75 A 33 THR H A 44 VAL HB 1.0 1.8 5.91 76 76 A 33 THR H A 44 VAL HGy% 1.0 1.8 5.95 77 77 A 15 TRP HA A 16 VAL H 1.0 1.8 3.93 78 78 A 16 VAL HB A 16 VAL H 1.0 1.8 4.58 79 79 A 16 VAL HGy% A 16 VAL H 1.0 1.8 4.39 80 80 A 43 LYS HA A 44 VAL H 1.0 1.8 4.04 81 81 A 44 VAL H A 47 ILE HG1x 1.0 1.8 4.85 82 82 A 44 VAL HGy% A 44 VAL H 1.0 1.8 4.00 83 83 A 50 TRP HBy A 50 TRP H 1.0 1.8 3.90 84 84 A 50 TRP H A 49 ALA HB% 1.0 1.8 3.90 85 85 A 50 TRP H A 51 ILE HD1% 1.0 1.8 5.00 86 86 A 14 VAL H A 32 TYR H 1.0 1.8 4.27 87 87 A 32 TYR HD2 A 32 TYR H 1.0 1.8 4.72 88 88 A 32 TYR H A 31 PRO HA 1.0 1.8 3.97 89 89 A 14 VAL HGy% A 32 TYR H 1.0 1.8 4.90 90 90 A 54 ALA H A 53 ALA HB% 1.0 1.8 4.40 91 91 A 46 GLY H A 47 ILE H 1.0 1.8 4.07 92 92 A 45 ASP HA A 47 ILE H 1.0 1.8 4.67 93 93 A 47 ILE H A 47 ILE HB 1.0 1.8 4.17 94 94 A 47 ILE H A 47 ILE HG1y 1.0 1.8 4.14 95 95 A 47 ILE HG1x A 47 ILE H 1.0 1.8 4.74 96 96 A 47 ILE H A 47 ILE HD1% 1.0 1.8 4.12 97 97 A 48 ALA HB% A 49 ALA H 1.0 1.8 3.38 98 98 A 49 ALA HB% A 49 ALA H 1.0 1.8 3.82 99 99 A 36 LEU H A 43 LYS H 1.0 1.8 4.19 100 100 A 43 LYS H A 42 LEU HA 1.0 1.8 3.78 101 101 A 43 LYS H A 42 LEU HBy 1.0 1.8 5.04 102 102 A 43 LYS H A 42 LEU HBx 1.0 1.8 4.19 103 103 A 43 LYS H A 36 LEU HBx 1.0 1.8 4.99 104 104 A 43 LYS H A 43 LYS HBy 1.0 1.8 4.49 105 105 A 34 VAL HGx% A 43 LYS H 1.0 1.8 4.85 106 106 A 43 LYS H A 42 LEU HDy% 1.0 1.8 4.78 107 107 A 43 LYS H A 43 LYS HBx 1.0 1.8 4.49 108 108 A 11 GLY H A 10 VAL H 1.0 1.8 5.39 109 109 A 10 VAL H A 9 MET HA 1.0 1.8 3.71 110 110 A 10 VAL H A 10 VAL HB 1.0 1.8 4.20 111 111 A 10 VAL HGy% A 10 VAL H 1.0 1.8 3.62 112 112 A 72 ARG HA A 73 VAL H 1.0 1.8 4.09 113 113 A 73 VAL H A 73 VAL HB 1.0 1.8 4.31 114 114 A 73 VAL H A 73 VAL HGx% 1.0 1.8 5.39 115 115 A 73 VAL H A 73 VAL HGy% 1.0 1.8 5.39 116 116 A 80 LEU H A 80 LEU HBy 1.0 1.8 3.61 117 117 A 44 VAL HA A 45 ASP H 1.0 1.8 3.93 118 118 A 45 ASP HBy A 45 ASP H 1.0 1.8 4.04 119 119 A 45 ASP H A 45 ASP HBx 1.0 1.8 4.07 120 120 A 44 VAL HB A 45 ASP H 1.0 1.8 4.30 121 121 A 35 LEU HG A 45 ASP H 1.0 1.8 4.62 122 122 A 35 LEU HDx% A 45 ASP H 1.0 1.8 5.11 123 123 A 35 LEU HDy% A 45 ASP H 1.0 1.8 5.47 124 124 A 45 ASP H A 44 VAL HGx% 1.0 1.8 4.59 125 125 A 44 VAL HGy% A 45 ASP H 1.0 1.8 4.90 126 126 A 69 LEU H A 70 THR H 1.0 1.8 5.85 127 127 A 81 LYS H A 82 ILE H 1.0 1.8 6.14 128 128 A 59 ALA HA A 60 ASP H 1.0 1.8 3.98 129 129 A 59 ALA HB% A 60 ASP H 1.0 1.8 4.61 130 130 A 15 TRP HD1 A 15 TRP H 1.0 1.8 4.96 131 131 A 15 TRP H A 14 VAL HA 1.0 1.8 3.92 132 132 A 15 TRP H A 14 VAL HB 1.0 1.8 3.98 133 133 A 14 VAL HGy% A 15 TRP H 1.0 1.8 4.60 134 134 A 69 LEU H A 69 LEU HG 1.0 1.8 4.23 135 135 A 14 VAL HA A 59 ALA H 1.0 1.8 4.40 136 136 A 59 ALA H A 58 ALA HA 1.0 1.8 3.78 137 137 A 59 ALA H A 58 ALA HB% 1.0 1.8 4.15 138 138 A 82 ILE H A 82 ILE HG1y 1.0 1.8 4.77 139 139 A 82 ILE H A 82 ILE HG1x 1.0 1.8 4.77 140 140 A 59 ALA HB% A 59 ALA H 1.0 1.8 3.99 141 141 A 11 GLY H A 12 ASP H 1.0 1.8 4.08 142 142 A 10 VAL HA A 12 ASP H 1.0 1.8 4.50 143 143 A 12 ASP H A 12 ASP HBy 1.0 1.8 4.34 144 144 A 12 ASP H A 12 ASP HBx 1.0 1.8 4.34 145 145 A 34 VAL HB A 12 ASP H 1.0 1.8 4.12 146 146 A 34 VAL HGy% A 12 ASP H 1.0 1.8 4.95 147 147 A 8 HIS HA A 9 MET H 1.0 1.8 3.86 148 148 A 9 MET H A 9 MET HGy 1.0 1.8 4.63 149 149 A 9 MET H A 9 MET HGx 1.0 1.8 4.63 150 150 A 16 VAL H A 29 LYS H 1.0 1.8 4.60 151 151 A 29 LYS H A 28 TRP HA 1.0 1.8 4.09 152 152 A 16 VAL HB A 29 LYS H 1.0 1.8 4.53 153 153 A 29 LYS H A 16 VAL HGx% 1.0 1.8 5.18 154 154 A 73 VAL HB A 74 GLN H 1.0 1.8 4.77 155 155 A 84 LEU H A 84 LEU HG 1.0 1.8 4.35 156 156 A 74 GLN H A 73 VAL HGx% 1.0 1.8 6.44 157 157 A 74 GLN H A 73 VAL HGy% 1.0 1.8 6.44 158 158 A 42 LEU H A 51 ILE H 1.0 1.8 4.55 159 159 A 51 ILE H A 50 TRP HA 1.0 1.8 3.63 160 160 A 50 TRP HBx A 51 ILE H 1.0 1.8 4.96 161 161 A 51 ILE HB A 51 ILE H 1.0 1.8 4.07 162 162 A 51 ILE H A 51 ILE HG1y 1.0 1.8 4.81 163 163 A 41 ALA HB% A 51 ILE H 1.0 1.8 4.72 164 164 A 51 ILE H A 51 ILE HG1x 1.0 1.8 5.19 165 165 A 57 LYS HA A 58 ALA H 1.0 1.8 3.75 166 166 A 58 ALA HB% A 58 ALA H 1.0 1.8 3.75 167 167 A 58 ALA H A 57 LYS HBy 1.0 1.8 5.76 168 168 A 58 ALA H A 57 LYS HBx 1.0 1.8 5.76 169 169 A 82 ILE HA A 83 ARG H 1.0 1.8 3.93 170 170 A 83 ARG H A 82 ILE HB 1.0 1.8 4.86 171 171 A 33 THR HA A 34 VAL H 1.0 1.8 3.66 172 172 A 34 VAL HB A 34 VAL H 1.0 1.8 4.06 173 173 A 34 VAL H A 33 THR HG2% 1.0 1.8 4.27 174 174 A 34 VAL HGy% A 34 VAL H 1.0 1.8 3.84 175 175 A 54 ALA H A 53 ALA H 1.0 1.8 4.84 176 176 A 41 ALA H A 42 LEU H 1.0 1.8 5.59 177 177 A 42 LEU H A 53 ALA H 1.0 1.8 6.05 178 178 A 41 ALA H A 40 THR H 1.0 1.8 4.15 179 179 A 53 ALA H A 41 ALA HA 1.0 1.8 4.63 180 180 A 41 ALA H A 38 THR HB 1.0 1.8 5.14 181 181 A 53 ALA H A 52 HIS HB2 1.0 1.8 5.39 182 182 A 52 HIS HB3 A 53 ALA H 1.0 1.8 5.69 183 183 A 53 ALA HB% A 53 ALA H 1.0 1.8 3.68 184 184 A 53 ALA H A 42 LEU HDx% 1.0 1.8 5.93 185 185 A 41 ALA H A 42 LEU HDy% 1.0 1.8 6.31 186 186 A 51 ILE HA A 52 HIS H 1.0 1.8 3.71 187 187 A 52 HIS HB2 A 52 HIS H 1.0 1.8 3.91 188 188 A 52 HIS HB3 A 52 HIS H 1.0 1.8 4.49 189 189 A 41 ALA HB% A 52 HIS H 1.0 1.8 6.10 190 190 A 52 HIS H A 51 ILE HG2% 1.0 1.8 4.40 191 191 A 16 VAL HA A 17 ARG H 1.0 1.8 3.97 192 192 A 17 ARG H A 17 ARG HBy 1.0 1.8 4.66 193 193 A 16 VAL HGx% A 17 ARG H 1.0 1.8 4.59 194 194 A 17 ARG H A 17 ARG HBx 1.0 1.8 4.66 195 195 A 15 TRP HA A 15 TRP HE1 1.0 1.8 5.58 196 196 A 59 ALA HB% A 15 TRP HE1 1.0 1.8 4.43 197 197 A 35 LEU H A 44 VAL HA 1.0 1.8 4.32 198 198 A 35 LEU H A 34 VAL HA 1.0 1.8 3.90 199 199 A 35 LEU H A 35 LEU HG 1.0 1.8 4.75 200 200 A 35 LEU H A 35 LEU HBx 1.0 1.8 4.59 201 201 A 35 LEU H A 34 VAL HGx% 1.0 1.8 4.50 202 202 A 42 LEU H A 50 TRP HA 1.0 1.8 4.98 203 203 A 71 TRP H A 71 TRP HD1 1.0 1.8 5.26 204 204 A 12 ASP H A 34 VAL H 1.0 1.8 5.15 205 205 A 15 TRP H A 57 LYS H 1.0 1.8 5.15 206 206 A 33 THR H A 45 ASP H 1.0 1.8 5.16 207 207 A 50 TRP H A 49 ALA H 1.0 1.8 5.03 208 208 A 37 THR HA A 42 LEU HA 1.0 1.8 4.28 209 209 A 58 ALA HB% A 14 VAL HGx% 1.0 1.8 4.91 210 210 A 55 HIS HBx A 54 ALA HB% 1.0 1.8 5.31 211 211 A 52 HIS HB3 A 54 ALA HB% 1.0 1.8 4.59 212 212 A 44 VAL HGy% A 51 ILE HG1y 1.0 1.8 4.70 213 213 A 44 VAL HGy% A 34 VAL HGy% 1.0 1.8 4.32 214 214 A 44 VAL HGy% A 47 ILE HG1x 1.0 1.8 4.45 215 215 A 34 VAL HGy% A 14 VAL HGy% 1.0 1.8 4.04 216 216 A 51 ILE HG1y A 51 ILE HG2% 1.0 1.8 4.45 217 217 A 56 VAL HGx% A 14 VAL HGx% 1.0 1.8 4.54 218 218 A 34 VAL HA A 44 VAL HGx% 1.0 1.8 4.58 219 219 A 34 VAL HGy% A 44 VAL HGx% 1.0 1.8 4.20 220 220 A 47 ILE HG1x A 44 VAL HGx% 1.0 1.8 4.63 221 221 A 16 VAL HGy% A 16 VAL HA 1.0 1.8 4.45 222 222 A 16 VAL HGy% A 14 VAL HGy% 1.0 1.8 4.53 223 223 A 16 VAL HGy% A 44 VAL HGx% 1.0 1.8 4.81 224 224 A 16 VAL HGy% A 44 VAL HGy% 1.0 1.8 4.37 225 225 A 35 LEU HA A 10 VAL HGx% 1.0 1.8 4.77 226 226 A 10 VAL HA A 10 VAL HGx% 1.0 1.8 4.50 227 227 A 10 VAL HGx% A 35 LEU HBx 1.0 1.8 4.46 228 228 A 10 VAL HA A 10 VAL HGy% 1.0 1.8 4.30 229 229 A 37 THR HG2% A 37 THR HA 1.0 1.8 4.31 230 230 A 74 GLN HBy A 80 LEU HDy% 1.0 1.8 6.35 231 231 A 74 GLN HBx A 80 LEU HDy% 1.0 1.8 6.35 232 232 A 34 VAL HGy% A 44 VAL HA 1.0 1.8 4.99 233 233 A 34 VAL HGy% A 34 VAL HA 1.0 1.8 4.67 234 234 A 34 VAL HGy% A 14 VAL HB 1.0 1.8 4.93 235 235 A 34 VAL HGy% A 42 LEU HDx% 1.0 1.8 4.65 236 236 A 34 VAL HGy% A 56 VAL HGx% 1.0 1.8 5.05 237 237 A 34 VAL HGy% A 14 VAL HGx% 1.0 1.8 3.97 238 238 A 35 LEU HA A 35 LEU HDy% 1.0 1.8 3.78 239 239 A 45 ASP HA A 35 LEU HDy% 1.0 1.8 5.24 240 240 A 45 ASP HBy A 35 LEU HDy% 1.0 1.8 5.22 241 241 A 35 LEU HDy% A 45 ASP HBx 1.0 1.8 4.42 242 242 A 35 LEU HDy% A 10 VAL HB 1.0 1.8 4.95 243 243 A 10 VAL HGy% A 35 LEU HDy% 1.0 1.8 4.23 244 244 A 37 THR HG2% A 42 LEU HDy% 1.0 1.8 4.27 245 245 A 34 VAL HGx% A 42 LEU HDy% 1.0 1.8 3.76 246 246 A 35 LEU HDx% A 35 LEU HA 1.0 1.8 4.91 247 247 A 45 ASP HA A 35 LEU HDx% 1.0 1.8 4.28 248 248 A 45 ASP HBy A 35 LEU HDx% 1.0 1.8 5.31 249 249 A 35 LEU HDx% A 45 ASP HBx 1.0 1.8 4.37 250 250 A 35 LEU HDx% A 10 VAL HGx% 1.0 1.8 5.29 251 251 A 69 LEU HA A 69 LEU HDx% 1.0 1.8 5.68 252 252 A 34 VAL HA A 34 VAL HGx% 1.0 1.8 4.29 253 253 A 37 THR HG2% A 34 VAL HGx% 1.0 1.8 3.98 254 254 A 34 VAL HGx% A 14 VAL HGy% 1.0 1.8 5.54 255 255 A 34 VAL HGx% A 44 VAL HGx% 1.0 1.8 5.42 256 256 A 41 ALA HB% A 52 HIS HA 1.0 1.8 4.63 257 257 A 41 ALA HB% A 50 TRP HBx 1.0 1.8 4.42 258 258 A 10 VAL HA A 34 VAL HB 1.0 1.8 5.67 259 259 A 10 VAL HA A 35 LEU HDy% 1.0 1.8 4.29 260 260 A 43 LYS HA A 44 VAL HA 1.0 1.8 5.27 261 261 A 13 THR HG2% A 13 THR HA 1.0 1.8 3.88 262 262 A 13 THR HA A 14 VAL HGx% 1.0 1.8 5.11 263 263 A 13 THR HA A 14 VAL HGy% 1.0 1.8 5.69 264 264 A 59 ALA HB% A 14 VAL HA 1.0 1.8 4.69 265 265 A 56 VAL HGx% A 14 VAL HA 1.0 1.8 5.44 266 266 A 14 VAL HA A 14 VAL HGx% 1.0 1.8 3.88 267 267 A 15 TRP HA A 30 GLY HAy 1.0 1.8 5.46 268 268 A 15 TRP HA A 31 PRO HA 1.0 1.8 5.74 269 269 A 16 VAL HA A 17 ARG HA 1.0 1.8 5.26 270 270 A 16 VAL HGx% A 16 VAL HA 1.0 1.8 4.73 271 271 A 37 THR HA A 42 LEU HDy% 1.0 1.8 4.99 272 272 A 69 LEU HA A 69 LEU HDy% 1.0 1.8 5.68 273 273 A 32 TYR HA A 44 VAL HGx% 1.0 1.8 4.97 274 274 A 33 THR HA A 33 THR HG2% 1.0 1.8 4.40 275 275 A 38 THR HG2% A 38 THR HA 1.0 1.8 4.57 276 276 A 40 THR HA A 40 THR HG2% 1.0 1.8 4.32 277 277 A 43 LYS HA A 42 LEU HA 1.0 1.8 5.28 278 278 A 37 THR HG2% A 42 LEU HA 1.0 1.8 5.58 279 279 A 34 VAL HA A 44 VAL HA 1.0 1.8 4.05 280 280 A 34 VAL HGx% A 44 VAL HA 1.0 1.8 4.51 281 281 A 44 VAL HA A 44 VAL HGx% 1.0 1.8 3.94 282 282 A 44 VAL HGy% A 44 VAL HA 1.0 1.8 4.61 283 283 A 43 LYS HA A 50 TRP HA 1.0 1.8 4.82 284 284 A 50 TRP HA A 43 LYS HGy 1.0 1.8 4.77 285 285 A 52 HIS HB2 A 51 ILE HA 1.0 1.8 5.21 286 286 A 51 ILE HG1y A 51 ILE HA 1.0 1.8 4.80 287 287 A 51 ILE HA A 51 ILE HG2% 1.0 1.8 3.85 288 288 A 51 ILE HD1% A 51 ILE HA 1.0 1.8 4.78 289 289 A 41 ALA HA A 52 HIS HA 1.0 1.8 4.23 290 290 A 14 VAL HA A 58 ALA HA 1.0 1.8 4.57 291 291 A 58 ALA HA A 14 VAL HGx% 1.0 1.8 4.26 292 292 A 70 THR HA A 70 THR HG2% 1.0 1.8 4.13 293 293 A 80 LEU HBx A 81 LYS HA 1.0 1.8 6.28 294 294 A 74 GLN HA A 80 LEU HG 1.0 1.8 6.62 295 295 A 81 LYS HA A 82 ILE HG2% 1.0 1.8 5.00 296 296 A 85 THR HA A 85 THR HG2% 1.0 1.8 3.76 297 297 A 87 GLU HA A 88 ALA HA 1.0 1.8 5.50 298 298 A 69 LEU HG A 65 PRO HBx 1.0 1.8 4.60 299 299 A 14 VAL HB A 58 ALA HB% 1.0 1.8 5.01 300 300 A 34 VAL HB A 44 VAL HA 1.0 1.8 5.96 301 301 A 34 VAL HB A 14 VAL HGx% 1.0 1.8 4.53 302 302 A 56 VAL HB A 42 LEU HDx% 1.0 1.8 4.52 303 303 A 47 ILE HB A 47 ILE HD1% 1.0 1.8 4.05 304 304 A 51 ILE HB A 47 ILE HG1x 1.0 1.8 5.73 305 305 A 10 VAL HB A 73 VAL HB 1.0 1.8 5.37 306 306 A 35 LEU HBx A 73 VAL HB 1.0 1.8 5.61 307 307 A 34 VAL HGy% A 12 ASP HBx 1.0 1.8 4.62 308 308 A 14 VAL HGx% A 12 ASP HBx 1.0 1.8 4.97 309 309 A 35 LEU HBy A 73 VAL HGx% 1.0 1.8 6.36 310 310 A 35 LEU HBy A 73 VAL HGy% 1.0 1.8 6.36 311 311 A 35 LEU HDx% A 35 LEU HBy 1.0 1.8 4.04 312 312 A 36 LEU HDx% A 36 LEU HBx 1.0 1.8 4.50 313 313 A 34 VAL HGy% A 12 ASP HBy 1.0 1.8 4.62 314 314 A 14 VAL HGx% A 12 ASP HBy 1.0 1.8 4.97 315 315 A 35 LEU HDx% A 35 LEU HBx 1.0 1.8 4.46 316 316 A 35 LEU HDy% A 35 LEU HBx 1.0 1.8 4.83 317 317 A 75 ARG HG2 A 72 ARG HBx 1.0 1.8 5.42 318 318 A 72 ARG HBx A 75 ARG HG3 1.0 1.8 5.42 319 319 A 35 LEU HG A 45 ASP HBx 1.0 1.8 4.84 320 320 A 36 LEU HA A 36 LEU HG 1.0 1.8 4.86 321 321 A 69 LEU HG A 69 LEU HA 1.0 1.8 4.69 322 322 A 69 LEU HG A 65 PRO HBy 1.0 1.8 4.60 323 323 A 56 VAL HGx% A 56 VAL HA 1.0 1.8 4.40 324 324 A 56 VAL HGx% A 14 VAL HB 1.0 1.8 4.29 325 325 A 56 VAL HGx% A 51 ILE HG2% 1.0 1.8 4.90 326 326 A 56 VAL HGx% A 14 VAL HGy% 1.0 1.8 4.13 327 327 A 50 TRP HA A 51 ILE HG1y 1.0 1.8 4.72 328 328 A 44 VAL HB A 51 ILE HG1y 1.0 1.8 4.89 329 329 A 51 ILE HG1y A 47 ILE HG2% 1.0 1.8 4.86 330 330 A 47 ILE HG1x A 51 ILE HG1y 1.0 1.8 4.66 331 331 A 47 ILE HG1x A 51 ILE HG2% 1.0 1.8 4.96 332 332 A 47 ILE HD1% A 47 ILE HG2% 1.0 1.8 3.83 333 333 A 56 VAL HGy% A 56 VAL HA 1.0 1.8 4.35 334 334 A 56 VAL HGy% A 53 ALA HA 1.0 1.8 4.45 335 335 A 56 VAL HGy% A 42 LEU HBx 1.0 1.8 5.45 336 336 A 56 VAL HGy% A 51 ILE HB 1.0 1.8 5.67 337 337 A 56 VAL HGy% A 51 ILE HG1y 1.0 1.8 5.61 338 338 A 56 VAL HGy% A 53 ALA HB% 1.0 1.8 4.98 339 339 A 56 VAL HGy% A 51 ILE HG2% 1.0 1.8 3.73 340 340 A 56 VAL HGy% A 14 VAL HGy% 1.0 1.8 4.47 341 341 A 43 LYS HA A 43 LYS HGy 1.0 1.8 4.67 342 342 A 72 ARG HBy A 75 ARG HG2 1.0 1.8 5.42 343 343 A 72 ARG HBy A 75 ARG HG3 1.0 1.8 5.42 344 344 A 53 ALA HA A 42 LEU HDx% 1.0 1.8 4.96 345 345 A 42 LEU HBx A 42 LEU HDx% 1.0 1.8 4.66 346 346 A 53 ALA HB% A 42 LEU HDx% 1.0 1.8 4.38 347 347 A 42 LEU HDx% A 51 ILE HG2% 1.0 1.8 4.63 348 348 A 56 VAL HGy% A 42 LEU HDx% 1.0 1.8 3.67 349 349 A 42 LEU HDx% A 14 VAL HGx% 1.0 1.8 4.91 350 350 A 14 VAL HGy% A 42 LEU HDx% 1.0 1.8 5.13 351 351 A 44 VAL HB A 51 ILE HD1% 1.0 1.8 5.39 352 352 A 51 ILE HB A 51 ILE HD1% 1.0 1.8 4.34 353 353 A 51 ILE HD1% A 51 ILE HG2% 1.0 1.8 3.58 354 354 A 51 ILE HD1% A 47 ILE HG2% 1.0 1.8 3.40 355 355 A 51 ILE HD1% A 47 ILE HD1% 1.0 1.8 3.74 356 356 A 36 LEU HA A 36 LEU HDy% 1.0 1.8 4.57 357 357 A 36 LEU HBy A 36 LEU HDy% 1.0 1.8 4.44 358 358 A 36 LEU HDy% A 36 LEU HBx 1.0 1.8 4.11 359 359 A 36 LEU HDy% A 43 LYS HD2 1.0 1.8 4.81 360 360 A 36 LEU HDy% A 43 LYS HD3 1.0 1.8 4.81 361 361 A 36 LEU HBx A 43 LYS HE2 1.0 1.8 6.90 362 362 A 36 LEU HBx A 43 LYS HE3 1.0 1.8 6.90 363 363 A 74 GLN HBy A 80 LEU HDx% 1.0 1.8 6.35 364 364 A 15 TRP HA A 30 GLY HAx 1.0 1.8 5.46 365 365 A 42 LEU HDy% A 8 HIS HBy 1.0 1.8 5.19 366 365 A 42 LEU HDy% A 8 HIS HBx 1.0 1.8 5.19 367 366 A 9 MET H A 9 MET HBx 1.0 1.8 3.90 368 366 A 9 MET H A 9 MET HBy 1.0 1.8 3.90 369 367 A 9 MET H A 9 MET HGy 1.0 1.8 4.05 370 367 A 9 MET H A 9 MET HGx 1.0 1.8 4.05 371 368 A 10 VAL H A 9 MET HBx 1.0 1.8 3.93 372 368 A 10 VAL H A 9 MET HBy 1.0 1.8 3.93 373 369 A 10 VAL HGy% A 11 GLY HAy 1.0 1.8 4.47 374 369 A 10 VAL HGy% A 11 GLY HAx 1.0 1.8 4.47 375 370 A 10 VAL HGy% A 73 VAL HGx% 1.0 1.8 4.22 376 370 A 10 VAL HGy% A 73 VAL HGy% 1.0 1.8 4.22 377 371 A 12 ASP H A 12 ASP HBy 1.0 1.8 3.61 378 371 A 12 ASP H A 12 ASP HBx 1.0 1.8 3.61 379 372 A 13 THR H A 12 ASP HBy 1.0 1.8 4.47 380 372 A 13 THR H A 12 ASP HBx 1.0 1.8 4.47 381 373 A 14 VAL HGx% A 12 ASP HBy 1.0 1.8 4.31 382 373 A 14 VAL HGx% A 12 ASP HBx 1.0 1.8 4.31 383 374 A 13 THR HG2% A 31 PRO HBy 1.0 1.8 4.17 384 374 A 13 THR HG2% A 31 PRO HBx 1.0 1.8 4.17 385 375 A 14 VAL HGy% A 32 TYR HBy 1.0 1.8 4.51 386 375 A 14 VAL HGy% A 32 TYR HBx 1.0 1.8 4.51 387 376 A 15 TRP H A 15 TRP HBy 1.0 1.8 4.07 388 376 A 15 TRP H A 15 TRP HBx 1.0 1.8 4.07 389 377 A 15 TRP HA A 30 GLY HAx 1.0 1.8 4.67 390 377 A 15 TRP HA A 30 GLY HAy 1.0 1.8 4.67 391 378 A 16 VAL HGy% A 32 TYR HBy 1.0 1.8 4.91 392 378 A 16 VAL HGy% A 32 TYR HBx 1.0 1.8 4.91 393 379 A 20 GLN H A 19 HIS HBy 1.0 1.8 4.80 394 379 A 19 HIS HBx A 20 GLN H 1.0 1.8 4.80 395 380 A 30 GLY H A 29 LYS HBx 1.0 1.8 4.40 396 380 A 30 GLY H A 29 LYS HBy 1.0 1.8 4.40 397 381 A 30 GLY HAy A 31 PRO HDy 1.0 1.8 4.43 398 381 A 30 GLY HAx A 31 PRO HDy 1.0 1.8 4.43 399 381 A 31 PRO HDx A 30 GLY HAx 1.0 1.8 4.43 400 381 A 30 GLY HAy A 31 PRO HDx 1.0 1.8 4.43 401 382 A 32 TYR HD2 A 30 GLY HAx 1.0 1.8 4.91 402 382 A 32 TYR HD2 A 30 GLY HAy 1.0 1.8 4.91 403 383 A 32 TYR H A 31 PRO HBy 1.0 1.8 4.55 404 383 A 32 TYR H A 31 PRO HBx 1.0 1.8 4.55 405 384 A 32 TYR H A 32 TYR HBy 1.0 1.8 4.14 406 384 A 32 TYR H A 32 TYR HBx 1.0 1.8 4.14 407 385 A 33 THR H A 32 TYR HBy 1.0 1.8 4.52 408 385 A 33 THR H A 32 TYR HBx 1.0 1.8 4.52 409 386 A 44 VAL HGx% A 32 TYR HBy 1.0 1.8 4.72 410 386 A 44 VAL HGx% A 32 TYR HBx 1.0 1.8 4.72 411 387 A 44 VAL HGy% A 32 TYR HBy 1.0 1.8 4.51 412 387 A 44 VAL HGy% A 32 TYR HBx 1.0 1.8 4.51 413 388 A 35 LEU HBy A 73 VAL HGx% 1.0 1.8 5.52 414 388 A 35 LEU HBy A 73 VAL HGy% 1.0 1.8 5.52 415 389 A 35 LEU HBx A 73 VAL HGx% 1.0 1.8 3.74 416 389 A 35 LEU HBx A 73 VAL HGy% 1.0 1.8 3.74 417 390 A 35 LEU HDy% A 73 VAL HGx% 1.0 1.8 3.74 418 390 A 35 LEU HDy% A 73 VAL HGy% 1.0 1.8 3.74 419 391 A 36 LEU H A 43 LYS HBx 1.0 1.8 4.26 420 391 A 36 LEU H A 43 LYS HBy 1.0 1.8 4.26 421 392 A 36 LEU HBx A 43 LYS HBx 1.0 1.8 4.37 422 392 A 36 LEU HBx A 43 LYS HBy 1.0 1.8 4.37 423 393 A 36 LEU HBx A 43 LYS HE3 1.0 1.8 5.92 424 393 A 36 LEU HBx A 43 LYS HE2 1.0 1.8 5.92 425 394 A 36 LEU HDy% A 43 LYS HBx 1.0 1.8 4.34 426 394 A 36 LEU HDy% A 43 LYS HBy 1.0 1.8 4.34 427 395 A 36 LEU HDy% A 43 LYS HD3 1.0 1.8 4.09 428 395 A 36 LEU HDy% A 43 LYS HD2 1.0 1.8 4.09 429 396 A 42 LEU HA A 43 LYS HBx 1.0 1.8 5.90 430 396 A 42 LEU HA A 43 LYS HBy 1.0 1.8 5.90 431 397 A 43 LYS H A 43 LYS HBx 1.0 1.8 3.92 432 397 A 43 LYS H A 43 LYS HBy 1.0 1.8 3.92 433 398 A 43 LYS HBx A 43 LYS HD3 1.0 1.8 3.65 434 398 A 43 LYS HBy A 43 LYS HD3 1.0 1.8 3.65 435 398 A 43 LYS HD2 A 43 LYS HBx 1.0 1.8 3.65 436 398 A 43 LYS HBy A 43 LYS HD2 1.0 1.8 3.65 437 399 A 58 ALA H A 57 LYS HBx 1.0 1.8 5.01 438 399 A 58 ALA H A 57 LYS HBy 1.0 1.8 5.01 439 400 A 64 GLY HA3 A 65 PRO HDy 1.0 1.8 3.67 440 400 A 64 GLY HA2 A 65 PRO HDy 1.0 1.8 3.67 441 400 A 65 PRO HDx A 64 GLY HA2 1.0 1.8 3.67 442 400 A 64 GLY HA3 A 65 PRO HDx 1.0 1.8 3.67 443 401 A 65 PRO HA A 69 LEU HDy% 1.0 1.8 5.15 444 401 A 65 PRO HA A 69 LEU HDx% 1.0 1.8 5.15 445 402 A 65 PRO HBy A 69 LEU HBy 1.0 1.8 4.74 446 402 A 65 PRO HBx A 69 LEU HBy 1.0 1.8 4.74 447 402 A 69 LEU HBx A 65 PRO HBx 1.0 1.8 4.74 448 402 A 65 PRO HBy A 69 LEU HBx 1.0 1.8 4.74 449 403 A 69 LEU HG A 65 PRO HBx 1.0 1.8 3.98 450 403 A 69 LEU HG A 65 PRO HBy 1.0 1.8 3.98 451 404 A 65 PRO HBy A 69 LEU HDy% 1.0 1.8 4.52 452 404 A 65 PRO HBx A 69 LEU HDy% 1.0 1.8 4.52 453 404 A 69 LEU HDx% A 65 PRO HBx 1.0 1.8 4.52 454 404 A 69 LEU HDx% A 65 PRO HBy 1.0 1.8 4.52 455 405 A 65 PRO HG2 A 69 LEU HDy% 1.0 1.8 5.06 456 405 A 65 PRO HG3 A 69 LEU HDy% 1.0 1.8 5.06 457 405 A 69 LEU HDx% A 65 PRO HG2 1.0 1.8 5.06 458 405 A 69 LEU HDx% A 65 PRO HG3 1.0 1.8 5.06 459 406 A 69 LEU HA A 69 LEU HDy% 1.0 1.8 3.94 460 406 A 69 LEU HA A 69 LEU HDx% 1.0 1.8 3.94 461 407 A 70 THR H A 69 LEU HDy% 1.0 1.8 5.27 462 407 A 70 THR H A 69 LEU HDx% 1.0 1.8 5.27 463 408 A 71 TRP H A 71 TRP HB2 1.0 1.8 4.12 464 408 A 71 TRP H A 71 TRP HB3 1.0 1.8 4.12 465 409 A 72 ARG H A 72 ARG HG2 1.0 1.8 5.53 466 409 A 72 ARG H A 72 ARG HG3 1.0 1.8 5.53 467 410 A 72 ARG HBx A 75 ARG HG3 1.0 1.8 3.70 468 410 A 72 ARG HBy A 75 ARG HG3 1.0 1.8 3.70 469 410 A 75 ARG HG2 A 72 ARG HBx 1.0 1.8 3.70 470 410 A 72 ARG HBy A 75 ARG HG2 1.0 1.8 3.70 471 411 A 72 ARG HBy A 75 ARG HD2 1.0 1.8 5.40 472 411 A 72 ARG HBx A 75 ARG HD2 1.0 1.8 5.40 473 411 A 75 ARG HD3 A 72 ARG HBx 1.0 1.8 5.40 474 411 A 72 ARG HBy A 75 ARG HD3 1.0 1.8 5.40 475 412 A 73 VAL H A 73 VAL HGx% 1.0 1.8 4.72 476 412 A 73 VAL H A 73 VAL HGy% 1.0 1.8 4.72 477 413 A 74 GLN H A 73 VAL HGx% 1.0 1.8 5.30 478 413 A 74 GLN H A 73 VAL HGy% 1.0 1.8 5.30 479 414 A 80 LEU H A 74 GLN HBx 1.0 1.8 5.35 480 414 A 80 LEU H A 74 GLN HBy 1.0 1.8 5.35 481 415 A 80 LEU HBy A 74 GLN HBx 1.0 1.8 4.45 482 415 A 80 LEU HBy A 74 GLN HBy 1.0 1.8 4.45 483 416 A 80 LEU HG A 74 GLN HBx 1.0 1.8 3.67 484 416 A 80 LEU HG A 74 GLN HBy 1.0 1.8 3.67 485 417 A 74 GLN HBx A 80 LEU HDy% 1.0 1.8 3.75 486 417 A 74 GLN HBy A 80 LEU HDy% 1.0 1.8 3.75 487 417 A 80 LEU HDx% A 74 GLN HBx 1.0 1.8 3.75 488 417 A 74 GLN HBy A 80 LEU HDx% 1.0 1.8 3.75 489 418 A 80 LEU HDx% A 74 GLN HBx 1.0 1.8 6.35 490 419 A 74 GLN HG3 A 80 LEU HDy% 1.0 1.8 4.90 491 419 A 74 GLN HG2 A 80 LEU HDy% 1.0 1.8 4.90 492 419 A 80 LEU HDx% A 74 GLN HG2 1.0 1.8 4.90 493 419 A 80 LEU HDx% A 74 GLN HG3 1.0 1.8 4.90 494 420 A 78 ASN HA A 79 PRO HDy 1.0 1.8 3.82 495 420 A 78 ASN HA A 79 PRO HDx 1.0 1.8 3.82 496 421 A 80 LEU HG A 79 PRO HBy 1.0 1.8 5.09 497 421 A 80 LEU HG A 79 PRO HBx 1.0 1.8 5.09 498 422 A 80 LEU HA A 80 LEU HDy% 1.0 1.8 4.30 499 422 A 80 LEU HDx% A 80 LEU HA 1.0 1.8 4.30 500 423 A 81 LYS H A 81 LYS HBx 1.0 1.8 4.08 501 423 A 81 LYS H A 81 LYS HBy 1.0 1.8 4.08 502 424 A 81 LYS H A 81 LYS HG2 1.0 1.8 5.62 503 424 A 81 LYS H A 81 LYS HG3 1.0 1.8 5.62 504 425 A 82 ILE H A 81 LYS HBx 1.0 1.8 4.80 505 425 A 82 ILE H A 81 LYS HBy 1.0 1.8 4.80 506 426 A 82 ILE HG2% A 82 ILE HG1x 1.0 1.8 3.55 507 426 A 82 ILE HG2% A 82 ILE HG1y 1.0 1.8 3.55 508 427 A 83 ARG HA A 83 ARG HD2 1.0 1.8 6.24 509 427 A 83 ARG HA A 83 ARG HD3 1.0 1.8 6.24 510 428 A 84 LEU HA A 84 LEU HDx% 1.0 1.8 4.45 511 428 A 84 LEU HA A 84 LEU HDy% 1.0 1.8 4.45 512 429 A 86 ARG HA A 86 ARG HD2 1.0 1.8 6.23 513 429 A 86 ARG HA A 86 ARG HD3 1.0 1.8 6.23 514 430 A 88 ALA H A 87 GLU HBy 1.0 1.8 4.82 515 430 A 87 GLU HBx A 88 ALA H 1.0 1.8 4.82 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 57 LYS H A 15 TRP O 1.0 1.71 2.09 2 2 A 15 TRP O A 57 LYS N 1.0 2.57 3.13 3 3 A 15 TRP H A 57 LYS O 1.0 1.71 2.09 4 4 A 57 LYS O A 15 TRP N 1.0 2.57 3.13 5 5 A 17 ARG H A 55 HIS O 1.0 1.71 2.09 6 6 A 55 HIS O A 17 ARG N 1.0 2.57 3.13 7 7 A 59 ALA H A 13 THR O 1.0 1.71 2.09 8 8 A 13 THR O A 59 ALA N 1.0 2.57 3.13 9 9 A 32 TYR H A 14 VAL O 1.0 1.71 2.09 10 10 A 14 VAL O A 32 TYR N 1.0 2.57 3.13 11 11 A 14 VAL H A 32 TYR O 1.0 1.71 2.09 12 12 A 32 TYR O A 14 VAL N 1.0 2.57 3.13 13 13 A 12 ASP H A 34 VAL O 1.0 1.71 2.09 14 14 A 34 VAL O A 12 ASP N 1.0 2.57 3.13 15 15 A 34 VAL H A 12 ASP O 1.0 1.71 2.09 16 16 A 12 ASP O A 34 VAL N 1.0 2.57 3.13 17 17 A 11 GLY H A 34 VAL O 1.0 1.71 2.09 18 18 A 34 VAL O A 11 GLY N 1.0 2.57 3.13 19 19 A 16 VAL H A 29 LYS O 1.0 1.71 2.09 20 20 A 29 LYS O A 16 VAL N 1.0 2.57 3.13 21 21 A 29 LYS H A 16 VAL O 1.0 1.71 2.09 22 22 A 16 VAL O A 29 LYS N 1.0 2.57 3.13 23 23 A 18 ARG H A 27 ARG O 1.0 1.71 2.09 24 24 A 27 ARG O A 18 ARG N 1.0 2.57 3.13 25 25 A 18 ARG O A 27 ARG H 1.0 1.71 2.09 26 26 A 18 ARG O A 27 ARG N 1.0 2.57 3.13 27 27 A 41 ALA H A 38 THR O 1.0 1.71 2.09 28 28 A 38 THR O A 41 ALA N 1.0 2.57 3.13 29 29 A 38 THR H A 41 ALA O 1.0 1.71 2.09 30 30 A 41 ALA O A 38 THR N 1.0 2.57 3.13 31 31 A 36 LEU H A 43 LYS O 1.0 1.71 2.09 32 32 A 43 LYS O A 36 LEU N 1.0 2.57 3.13 33 33 A 43 LYS H A 36 LEU O 1.0 1.71 2.09 34 34 A 36 LEU O A 43 LYS N 1.0 2.57 3.13 35 35 A 35 LEU H A 43 LYS O 1.0 1.71 2.09 36 36 A 43 LYS O A 35 LEU N 1.0 2.57 3.13 37 37 A 51 ILE H A 42 LEU O 1.0 1.71 2.09 38 38 A 42 LEU O A 51 ILE N 1.0 2.57 3.13 39 39 A 42 LEU H A 51 ILE O 1.0 1.71 2.09 40 40 A 51 ILE O A 42 LEU N 1.0 2.57 3.13 41 41 A 53 ALA H A 40 THR O 1.0 1.71 2.09 42 42 A 40 THR O A 53 ALA N 1.0 2.57 3.13 43 43 A 45 ASP H A 33 THR O 1.0 1.71 2.09 44 44 A 33 THR O A 45 ASP N 1.0 2.57 3.13 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 6 HIS C A 7 SER N A 7 SER CA A 7 SER C 1.0 -169.9 -49.3 PHI 2 2 A 7 SER N A 7 SER CA A 7 SER C A 8 HIS N 1.0 104.0 187.9 PSI 3 3 A 7 SER C A 8 HIS N A 8 HIS CA A 8 HIS C 1.0 -157.3 -17.3 PHI 4 4 A 8 HIS N A 8 HIS CA A 8 HIS C A 9 MET N 1.0 83.1 159.7 PSI 5 5 A 8 HIS C A 9 MET N A 9 MET CA A 9 MET C 1.0 -159.7 -48.8 PHI 6 6 A 9 MET N A 9 MET CA A 9 MET C A 10 VAL N 1.0 134.0 174.0 PSI 7 7 A 9 MET C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -72.8 -32.8 PHI 8 8 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 GLY N 1.0 109.9 149.9 PSI 9 9 A 10 VAL C A 11 GLY N A 11 GLY CA A 11 GLY C 1.0 75.5 115.5 PHI 10 10 A 11 GLY N A 11 GLY CA A 11 GLY C A 12 ASP N 1.0 -34.3 5.7 PSI 11 11 A 11 GLY C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -140.0 0.0 PHI 12 12 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 THR N 1.0 80.1 185.1 PSI 13 13 A 12 ASP C A 13 THR N A 13 THR CA A 13 THR C 1.0 -124.8 -75.4 PHI 14 14 A 13 THR N A 13 THR CA A 13 THR C A 14 VAL N 1.0 108.6 172.2 PSI 15 15 A 13 THR C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -156.6 -116.6 PHI 16 16 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 TRP N 1.0 135.3 188.6 PSI 17 17 A 14 VAL C A 15 TRP N A 15 TRP CA A 15 TRP C 1.0 -159.3 -93.5 PHI 18 18 A 15 TRP N A 15 TRP CA A 15 TRP C A 16 VAL N 1.0 120.0 160.0 PSI 19 19 A 15 TRP C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -151.5 -111.5 PHI 20 20 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 ARG N 1.0 106.0 165.4 PSI 21 21 A 16 VAL C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -160.2 -43.0 PHI 22 22 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 ARG N 1.0 94.2 147.5 PSI 23 23 A 20 GLN C A 21 THR N A 21 THR CA A 21 THR C 1.0 -169.5 -65.2 PHI 24 24 A 21 THR N A 21 THR CA A 21 THR C A 22 LYS N 1.0 89.6 229.6 PSI 25 25 A 21 THR C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -107.8 -35.9 PHI 26 26 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 ASN N 1.0 -49.5 11.3 PSI 27 27 A 23 ASN C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -151.5 -11.5 PHI 28 28 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 GLU N 1.0 78.9 190.5 PSI 29 29 A 24 LEU C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -116.7 -53.8 PHI 30 30 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 PRO N 1.0 114.4 175.2 PSI 31 31 A 27 ARG C A 28 TRP N A 28 TRP CA A 28 TRP C 1.0 -170.9 -52.8 PHI 32 32 A 28 TRP N A 28 TRP CA A 28 TRP C A 29 LYS N 1.0 113.1 171.4 PSI 33 33 A 28 TRP C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -150.9 -101.0 PHI 34 34 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 GLY N 1.0 124.1 180.7 PSI 35 35 A 29 LYS C A 30 GLY N A 30 GLY CA A 30 GLY C 1.0 -193.1 -53.1 PHI 36 36 A 30 GLY N A 30 GLY CA A 30 GLY C A 31 PRO N 1.0 70.5 202.4 PSI 37 37 A 31 PRO C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -204.3 -64.3 PHI 38 38 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 THR N 1.0 114.0 178.5 PSI 39 39 A 32 TYR C A 33 THR N A 33 THR CA A 33 THR C 1.0 -160.7 -58.5 PHI 40 40 A 33 THR N A 33 THR CA A 33 THR C A 34 VAL N 1.0 114.4 154.4 PSI 41 41 A 33 THR C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -98.9 -58.9 PHI 42 42 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 LEU N 1.0 108.7 148.7 PSI 43 43 A 34 VAL C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -112.4 -71.0 PHI 44 44 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 LEU N 1.0 -58.6 -18.6 PSI 45 45 A 35 LEU C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -229.2 -89.2 PHI 46 46 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 THR N 1.0 142.0 189.1 PSI 47 47 A 36 LEU C A 37 THR N A 37 THR CA A 37 THR C 1.0 -167.5 -105.7 PHI 48 48 A 37 THR N A 37 THR CA A 37 THR C A 38 THR N 1.0 129.9 174.4 PSI 49 49 A 37 THR C A 38 THR N A 38 THR CA A 38 THR C 1.0 -157.4 -61.8 PHI 50 50 A 38 THR N A 38 THR CA A 38 THR C A 39 PRO N 1.0 71.6 184.5 PSI 51 51 A 39 PRO N A 39 PRO CA A 39 PRO C A 40 THR N 1.0 109.7 166.0 PSI 52 52 A 40 THR C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -163.0 -109.9 PHI 53 53 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 LEU N 1.0 125.0 184.3 PSI 54 54 A 41 ALA C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -190.1 -86.3 PHI 55 55 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 LYS N 1.0 122.3 175.1 PSI 56 56 A 42 LEU C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -148.2 -88.1 PHI 57 57 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 VAL N 1.0 111.2 168.0 PSI 58 58 A 43 LYS C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -168.2 -87.9 PHI 59 59 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 ASP N 1.0 131.1 184.1 PSI 60 60 A 44 VAL C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -105.8 -16.0 PHI 61 61 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 GLY N 1.0 111.7 151.7 PSI 62 62 A 45 ASP C A 46 GLY N A 46 GLY CA A 46 GLY C 1.0 77.3 117.6 PHI 63 63 A 46 GLY N A 46 GLY CA A 46 GLY C A 47 ILE N 1.0 -37.5 3.1 PSI 64 64 A 46 GLY C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -119.6 -53.9 PHI 65 65 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 ALA N 1.0 71.0 211.0 PSI 66 66 A 47 ILE C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -85.5 -33.2 PHI 67 67 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 ALA N 1.0 -49.8 -3.1 PSI 68 68 A 48 ALA C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -148.7 -64.9 PHI 69 69 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 TRP N 1.0 -51.9 53.3 PSI 70 70 A 49 ALA C A 50 TRP N A 50 TRP CA A 50 TRP C 1.0 -140.3 -30.3 PHI 71 71 A 50 TRP N A 50 TRP CA A 50 TRP C A 51 ILE N 1.0 102.0 156.2 PSI 72 72 A 50 TRP C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -126.4 -62.1 PHI 73 73 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 HIS N 1.0 87.8 173.8 PSI 74 74 A 52 HIS C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -84.2 -44.2 PHI 75 75 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 ALA N 1.0 -59.5 -19.5 PSI 76 76 A 53 ALA C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 -88.1 -48.1 PHI 77 77 A 54 ALA N A 54 ALA CA A 54 ALA C A 55 HIS N 1.0 -38.0 9.5 PSI 78 78 A 55 HIS C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -158.5 -101.2 PHI 79 79 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 LYS N 1.0 125.6 166.7 PSI 80 80 A 56 VAL C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -173.0 -95.9 PHI 81 81 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 ALA N 1.0 112.1 185.2 PSI 82 82 A 57 LYS C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -99.1 -57.7 PHI 83 83 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 ALA N 1.0 107.9 185.1 PSI 84 84 A 58 ALA C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -171.4 -31.4 PHI 85 85 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 ASP N 1.0 101.7 164.2 PSI 86 86 A 59 ALA C A 60 ASP N A 60 ASP CA A 60 ASP C 1.0 -102.3 -45.7 PHI 87 87 A 60 ASP N A 60 ASP CA A 60 ASP C A 61 PRO N 1.0 66.2 175.4 PSI 88 88 A 61 PRO N A 61 PRO CA A 61 PRO C A 62 GLY N 1.0 -46.2 2.3 PSI 89 89 A 12 ASP N A 12 ASP CA A 12 ASP CB A 12 ASP CG 1.0 170.0 190.0 CHI1 90 90 A 12 ASP CA A 12 ASP CB A 12 ASP CG A 12 ASP OD1 1.0 -10.0 0.0 CHI2 91 91 A 45 ASP N A 45 ASP CA A 45 ASP CB A 45 ASP CG 1.0 170.0 190.0 CHI1 92 92 A 60 ASP N A 60 ASP CA A 60 ASP CB A 60 ASP CG 1.0 170.0 190.0 CHI1 93 93 A 60 ASP CA A 60 ASP CB A 60 ASP CG A 60 ASP OD1 1.0 -10.0 0.0 CHI2 94 94 A 22 LYS N A 22 LYS CA A 22 LYS CB A 22 LYS CG 1.0 -70.0 -50.0 CHI1 95 95 A 22 LYS CA A 22 LYS CB A 22 LYS CG A 22 LYS CD 1.0 170.0 190.0 CHI2 96 96 A 29 LYS N A 29 LYS CA A 29 LYS CB A 29 LYS CG 1.0 -70.0 -50.0 CHI1 97 97 A 29 LYS CA A 29 LYS CB A 29 LYS CG A 29 LYS CD 1.0 170.0 190.0 CHI2 98 98 A 32 TYR N A 32 TYR CA A 32 TYR CB A 32 TYR CG 1.0 -70.0 -50.0 CHI1 99 99 A 32 TYR CA A 32 TYR CB A 32 TYR CG A 32 TYR CD1 1.0 -120.0 -80.0 CHI2 100 100 A 43 LYS N A 43 LYS CA A 43 LYS CB A 43 LYS CG 1.0 170.0 190.0 CHI1 101 101 A 43 LYS CA A 43 LYS CB A 43 LYS CG A 43 LYS CD 1.0 170.0 190.0 CHI2 102 102 A 17 ARG N A 17 ARG CA A 17 ARG CB A 17 ARG CG 1.0 170.0 190.0 CHI1 103 103 A 17 ARG CA A 17 ARG CB A 17 ARG CG A 17 ARG CD 1.0 170.0 190.0 CHI2 104 104 A 18 ARG N A 18 ARG CA A 18 ARG CB A 18 ARG CG 1.0 170.0 190.0 CHI1 105 105 A 18 ARG CA A 18 ARG CB A 18 ARG CG A 18 ARG CD 1.0 170.0 190.0 CHI2 106 106 A 86 ARG CA A 86 ARG CB A 86 ARG CG A 86 ARG CD 1.0 170.0 190.0 CHI2 107 107 A 72 ARG CA A 72 ARG CB A 72 ARG CG A 72 ARG CD 1.0 170.0 190.0 CHI2 108 108 A 57 LYS CA A 57 LYS CB A 57 LYS CG A 57 LYS CD 1.0 170.0 190.0 CHI2 109 109 A 83 ARG CA A 83 ARG CB A 83 ARG CG A 83 ARG CD 1.0 170.0 190.0 CHI2 110 110 A 50 TRP N A 50 TRP CA A 50 TRP CB A 50 TRP CG 1.0 -70.0 -50.0 CHI1 111 111 A 50 TRP CA A 50 TRP CB A 50 TRP CG A 50 TRP CD1 1.0 -120.0 -80.0 CHI2 112 112 A 24 LEU N A 24 LEU CA A 24 LEU CB A 24 LEU CG 1.0 -70.0 -50.0 CHI1 113 113 A 24 LEU CA A 24 LEU CB A 24 LEU CG A 24 LEU CD1 1.0 170.0 190.0 CHI2 114 114 A 9 MET N A 9 MET CA A 9 MET CB A 9 MET CG 1.0 50.0 70.0 CHI1 115 115 A 9 MET CA A 9 MET CB A 9 MET CG A 9 MET SD 1.0 170.0 190.0 CHI2 116 116 A 15 TRP N A 15 TRP CA A 15 TRP CB A 15 TRP CG 1.0 -70.0 -50.0 CHI1 117 117 A 15 TRP CA A 15 TRP CB A 15 TRP CG A 15 TRP CD1 1.0 -30.0 0.0 CHI2 118 118 A 28 TRP N A 28 TRP CA A 28 TRP CB A 28 TRP CG 1.0 50.0 70.0 CHI1 119 119 A 28 TRP CA A 28 TRP CB A 28 TRP CG A 28 TRP CD1 1.0 -100.0 -80.0 CHI2 120 120 A 82 ILE CA A 82 ILE CB A 82 ILE CG1 A 82 ILE CD1 1.0 160.0 180.0 CHI2 121 121 A 82 ILE N A 82 ILE CA A 82 ILE CB A 82 ILE CG1 1.0 50.0 70.0 CHI1 122 122 A 47 ILE CA A 47 ILE CB A 47 ILE CG1 A 47 ILE CD1 1.0 -70.0 -50.0 CHI2 123 123 A 47 ILE N A 47 ILE CA A 47 ILE CB A 47 ILE CG1 1.0 -70.0 -50.0 CHI1 124 124 A 51 ILE CA A 51 ILE CB A 51 ILE CG1 A 51 ILE CD1 1.0 -70.0 -50.0 CHI2 125 125 A 51 ILE N A 51 ILE CA A 51 ILE CB A 51 ILE CG1 1.0 -70.0 -50.0 CHI1 126 126 A 69 LEU N A 69 LEU CA A 69 LEU CB A 69 LEU CG 1.0 -70.0 -50.0 CHI1 127 127 A 69 LEU CA A 69 LEU CB A 69 LEU CG A 69 LEU CD1 1.0 170.0 190.0 CHI2 128 128 A 42 LEU N A 42 LEU CA A 42 LEU CB A 42 LEU CG 1.0 -70.0 -50.0 CHI1 129 129 A 42 LEU CA A 42 LEU CB A 42 LEU CG A 42 LEU CD1 1.0 170.0 190.0 CHI2 130 130 A 80 LEU CA A 80 LEU CB A 80 LEU CG A 80 LEU CD1 1.0 170.0 190.0 CHI2 131 131 A 80 LEU N A 80 LEU CA A 80 LEU CB A 80 LEU CG 1.0 -70.0 -50.0 CHI1 132 132 A 35 LEU CA A 35 LEU CB A 35 LEU CG A 35 LEU CD1 1.0 170.0 190.0 CHI2 133 133 A 35 LEU N A 35 LEU CA A 35 LEU CB A 35 LEU CG 1.0 -70.0 -50.0 CHI1 134 134 A 36 LEU N A 36 LEU CA A 36 LEU CB A 36 LEU CG 1.0 170.0 190.0 CHI1 135 135 A 36 LEU CA A 36 LEU CB A 36 LEU CG A 36 LEU CD1 1.0 50.0 70.0 CHI2 136 136 A 84 LEU N A 84 LEU CA A 84 LEU CB A 84 LEU CG 1.0 -70.0 -50.0 CHI1 137 137 A 84 LEU CA A 84 LEU CB A 84 LEU CG A 84 LEU CD1 1.0 170.0 190.0 CHI2 138 138 A 25 GLU N A 25 GLU CA A 25 GLU CB A 25 GLU CG 1.0 -70.0 -50.0 CHI1 139 139 A 25 GLU CA A 25 GLU CB A 25 GLU CG A 25 GLU CD 1.0 170.0 190.0 CHI2 140 140 A 27 ARG N A 27 ARG CA A 27 ARG CB A 27 ARG CG 1.0 170.0 190.0 CHI1 141 141 A 27 ARG CA A 27 ARG CB A 27 ARG CG A 27 ARG CD 1.0 170.0 190.0 CHI2 142 142 A 52 HIS N A 52 HIS CA A 52 HIS CB A 52 HIS CG 1.0 170.0 190.0 CHI1 143 143 A 52 HIS CA A 52 HIS CB A 52 HIS CG A 52 HIS ND1 1.0 -80.0 -50.0 CHI2 144 144 A 55 HIS N A 55 HIS CA A 55 HIS CB A 55 HIS CG 1.0 -80.0 -50.0 CHI1 145 145 A 55 HIS CA A 55 HIS CB A 55 HIS CG A 55 HIS ND1 1.0 -80.0 -50.0 CHI2 146 146 A 20 GLN N A 20 GLN CA A 20 GLN CB A 20 GLN CG 1.0 -80.0 -50.0 CHI1 147 147 A 20 GLN CA A 20 GLN CB A 20 GLN CG A 20 GLN CD 1.0 -80.0 -50.0 CHI2 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.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 3 . 13C 70 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.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 3 . 13C 35 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.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 3 . 15N 30 stop_ save_