data_nef_c17729_2lev 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 -9 SER start . . 2 A -8 HIS middle . . 3 A -7 HIS middle . . 4 A -6 HIS middle . . 5 A -5 HIS middle . . 6 A -4 HIS middle . . 7 A -3 HIS middle . . 8 A -2 SER middle . . 9 A -1 MET middle . . 10 A 0 GLY middle . false 11 A 1 ASN middle . . 12 A 2 SER middle . . 13 A 3 SER middle . . 14 A 4 LYS middle . . 15 A 5 GLY middle . false 16 A 6 VAL middle . . 17 A 7 TYR middle . . 18 A 8 TYR middle . . 19 A 9 ARG middle . . 20 A 10 ASN middle . . 21 A 11 GLU middle . . 22 A 12 GLU middle . . 23 A 13 GLY middle . false 24 A 14 GLN middle . . 25 A 15 THR middle . . 26 A 16 TRP middle . . 27 A 17 SER middle . . 28 A 18 GLY middle . false 29 A 19 VAL middle . . 30 A 20 GLY middle . false 31 A 21 ARG middle . . 32 A 22 GLN middle . . 33 A 23 PRO middle . false 34 A 24 ARG middle . . 35 A 25 TRP middle . . 36 A 26 LEU middle . . 37 A 27 LYS middle . . 38 A 28 GLU middle . . 39 A 29 ALA middle . . 40 A 30 LEU middle . . 41 A 31 LEU middle . . 42 A 32 ASN middle . . 43 A 33 GLY middle . false 44 A 34 MET middle . . 45 A 35 LYS middle . . 46 A 36 LYS middle . . 47 A 37 GLU middle . . 48 A 38 ASP middle . . 49 A 39 PHE middle . . 50 A 40 LEU middle . . 51 A 41 VAL middle . . 52 A 42 LYS middle . . 53 A 43 ASP middle . . 54 A 44 THR middle . . 55 A 45 GLU middle . . 56 A 46 GLU middle . . 57 A 47 GLU end . . 58 B 1 DG start . . 59 B 2 DC middle . . 60 B 3 DG middle . . 61 B 4 DA middle . . 62 B 5 DT middle . . 63 B 6 DA middle . . 64 B 7 DA middle . . 65 B 8 DT middle . . 66 B 9 DT middle . . 67 B 10 DG middle . . 68 B 11 DA middle . . 69 B 12 DT middle . . 70 B 13 DA middle . . 71 B 14 DG middle . . 72 B 15 DG end . . 73 C 16 DC start . . 74 C 17 DC middle . . 75 C 18 DT middle . . 76 C 19 DA middle . . 77 C 20 DT middle . . 78 C 21 DC middle . . 79 C 22 DA middle . . 80 C 23 DA middle . . 81 C 24 DT middle . . 82 C 25 DT middle . . 83 C 26 DA middle . . 84 C 27 DT middle . . 85 C 28 DC middle . . 86 C 29 DG middle . . 87 C 30 DC end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A -9 SER HA H 1 3.944 0.020 A -9 SER HB2 H 1 3.762 0.020 A -9 SER HB3 H 1 3.762 0.020 A -9 SER CA C 13 57.174 0.3 A -9 SER CB C 13 63.083 0.3 A -3 HIS H H 1 8.599 0.020 A -3 HIS HA H 1 4.532 0.020 A -3 HIS HB2 H 1 3.076 0.020 A -3 HIS HB3 H 1 3.076 0.020 A -3 HIS CA C 13 55.523 0.3 A -3 HIS CB C 13 29.612 0.3 A -3 HIS N N 15 120.845 0.3 A -2 SER H H 1 8.407 0.020 A -2 SER HA H 1 4.295 0.020 A -2 SER HB2 H 1 3.718 0.020 A -2 SER HB3 H 1 3.718 0.020 A -2 SER CA C 13 58.301 0.3 A -2 SER CB C 13 63.759 0.3 A -2 SER N N 15 117.754 0.3 A -1 MET H H 1 8.467 0.020 A -1 MET HA H 1 4.371 0.020 A -1 MET HBx H 1 1.852 0.020 A -1 MET HBy H 1 1.965 0.020 A -1 MET HE% H 1 1.916 0.020 A -1 MET HGx H 1 2.375 0.020 A -1 MET HGy H 1 2.454 0.020 A -1 MET CA C 13 55.513 0.3 A -1 MET CB C 13 32.610 0.3 A -1 MET CE C 13 16.792 0.3 A -1 MET CG C 13 31.933 0.3 A -1 MET N N 15 122.201 0.3 A 0 GLY H H 1 8.303 0.020 A 0 GLY HA2 H 1 3.809 0.020 A 0 GLY HA3 H 1 3.809 0.020 A 0 GLY CA C 13 45.367 0.3 A 0 GLY N N 15 109.518 0.3 A 1 ASN H H 1 8.275 0.020 A 1 ASN HA H 1 4.606 0.020 A 1 ASN HBx H 1 2.618 0.020 A 1 ASN HBy H 1 2.692 0.020 A 1 ASN HD21 H 1 7.481 0.020 A 1 ASN HD22 H 1 6.808 0.020 A 1 ASN CA C 13 53.256 0.3 A 1 ASN CB C 13 38.894 0.3 A 1 ASN N N 15 118.803 0.3 A 1 ASN ND2 N 15 112.703 0.3 A 2 SER H H 1 8.224 0.020 A 2 SER HA H 1 4.310 0.020 A 2 SER HB2 H 1 3.708 0.020 A 2 SER HB3 H 1 3.708 0.020 A 2 SER CA C 13 58.559 0.3 A 2 SER CB C 13 63.659 0.3 A 2 SER N N 15 115.840 0.3 A 3 SER H H 1 8.228 0.020 A 3 SER HA H 1 4.304 0.020 A 3 SER HB2 H 1 3.759 0.020 A 3 SER HB3 H 1 3.759 0.020 A 3 SER CA C 13 58.541 0.3 A 3 SER CB C 13 63.661 0.3 A 3 SER N N 15 117.557 0.3 A 4 LYS H H 1 8.192 0.020 A 4 LYS HA H 1 4.181 0.020 A 4 LYS HBx H 1 1.635 0.020 A 4 LYS HBy H 1 1.740 0.020 A 4 LYS HD2 H 1 1.502 0.020 A 4 LYS HD3 H 1 1.502 0.020 A 4 LYS HE2 H 1 2.803 0.020 A 4 LYS HE3 H 1 2.803 0.020 A 4 LYS HGx H 1 1.256 0.020 A 4 LYS HGy H 1 1.321 0.020 A 4 LYS CA C 13 56.483 0.3 A 4 LYS CB C 13 32.782 0.3 A 4 LYS CD C 13 28.893 0.3 A 4 LYS CE C 13 42.036 0.3 A 4 LYS CG C 13 24.729 0.3 A 4 LYS N N 15 122.301 0.3 A 5 GLY H H 1 8.275 0.020 A 5 GLY HA2 H 1 3.811 0.020 A 5 GLY HA3 H 1 3.811 0.020 A 5 GLY CA C 13 45.543 0.3 A 5 GLY N N 15 109.122 0.3 A 6 VAL H H 1 7.522 0.020 A 6 VAL HA H 1 4.415 0.020 A 6 VAL HB H 1 1.732 0.020 A 6 VAL HG1% H 1 0.630 0.020 A 6 VAL HG2% H 1 0.605 0.020 A 6 VAL CA C 13 60.773 0.3 A 6 VAL CB C 13 33.830 0.3 A 6 VAL CG1 C 13 21.523 0.3 A 6 VAL CG2 C 13 19.681 0.3 A 6 VAL N N 15 117.135 0.3 A 7 TYR H H 1 7.929 0.020 A 7 TYR HA H 1 4.381 0.020 A 7 TYR HBx H 1 2.890 0.020 A 7 TYR HBy H 1 2.934 0.020 A 7 TYR HD1 H 1 6.802 0.020 A 7 TYR HD2 H 1 6.802 0.020 A 7 TYR HE1 H 1 6.494 0.020 A 7 TYR HE2 H 1 6.494 0.020 A 7 TYR CA C 13 56.492 0.3 A 7 TYR CB C 13 39.131 0.3 A 7 TYR N N 15 120.317 0.3 A 8 TYR H H 1 8.646 0.020 A 8 TYR HA H 1 5.326 0.020 A 8 TYR HBx H 1 3.039 0.020 A 8 TYR HBy H 1 3.249 0.020 A 8 TYR HD1 H 1 6.881 0.020 A 8 TYR HD2 H 1 6.881 0.020 A 8 TYR HE1 H 1 6.405 0.020 A 8 TYR HE2 H 1 6.405 0.020 A 8 TYR CA C 13 56.891 0.3 A 8 TYR CB C 13 41.298 0.3 A 8 TYR N N 15 117.105 0.3 A 9 ARG H H 1 9.373 0.020 A 9 ARG HA H 1 5.549 0.020 A 9 ARG HBx H 1 1.493 0.020 A 9 ARG HBy H 1 1.628 0.020 A 9 ARG HDx H 1 2.981 0.020 A 9 ARG HDy H 1 3.051 0.020 A 9 ARG HE H 1 7.004 0.020 A 9 ARG HGx H 1 1.300 0.020 A 9 ARG HGy H 1 1.836 0.020 A 9 ARG CA C 13 54.797 0.3 A 9 ARG CB C 13 35.578 0.3 A 9 ARG CD C 13 44.048 0.3 A 9 ARG N N 15 122.698 0.3 A 9 ARG NE N 15 84.245 0.3 A 10 ASN H H 1 7.651 0.020 A 10 ASN HA H 1 4.952 0.020 A 10 ASN HBx H 1 1.382 0.020 A 10 ASN HBy H 1 2.976 0.020 A 10 ASN HD21 H 1 7.414 0.020 A 10 ASN HD22 H 1 6.672 0.020 A 10 ASN CA C 13 49.964 0.3 A 10 ASN CB C 13 38.555 0.3 A 10 ASN N N 15 122.244 0.3 A 10 ASN ND2 N 15 111.932 0.3 A 11 GLU H H 1 8.889 0.020 A 11 GLU HA H 1 3.922 0.020 A 11 GLU HBx H 1 1.897 0.020 A 11 GLU HBy H 1 1.944 0.020 A 11 GLU HGx H 1 2.182 0.020 A 11 GLU HGy H 1 2.227 0.020 A 11 GLU CA C 13 58.786 0.3 A 11 GLU CB C 13 28.995 0.3 A 11 GLU CG C 13 36.175 0.3 A 11 GLU N N 15 118.795 0.3 A 12 GLU H H 1 7.280 0.020 A 12 GLU HA H 1 4.122 0.020 A 12 GLU HBx H 1 1.684 0.020 A 12 GLU HBy H 1 1.981 0.020 A 12 GLU HG2 H 1 2.046 0.020 A 12 GLU HG3 H 1 2.046 0.020 A 12 GLU CA C 13 56.230 0.3 A 12 GLU CB C 13 29.389 0.3 A 12 GLU CG C 13 36.323 0.3 A 12 GLU N N 15 116.576 0.3 A 13 GLY H H 1 7.732 0.020 A 13 GLY HAx H 1 3.264 0.020 A 13 GLY HAy H 1 4.063 0.020 A 13 GLY CA C 13 45.135 0.3 A 13 GLY N N 15 106.901 0.3 A 14 GLN H H 1 7.737 0.020 A 14 GLN HA H 1 4.126 0.020 A 14 GLN HBx H 1 0.769 0.020 A 14 GLN HBy H 1 1.513 0.020 A 14 GLN HE21 H 1 6.849 0.020 A 14 GLN HE22 H 1 5.737 0.020 A 14 GLN HGx H 1 1.852 0.020 A 14 GLN HGy H 1 2.043 0.020 A 14 GLN CA C 13 56.109 0.3 A 14 GLN CB C 13 28.095 0.3 A 14 GLN CG C 13 34.657 0.3 A 14 GLN N N 15 121.137 0.3 A 14 GLN NE2 N 15 110.315 0.3 A 15 THR H H 1 8.351 0.020 A 15 THR HA H 1 5.829 0.020 A 15 THR HB H 1 4.245 0.020 A 15 THR HG2% H 1 1.117 0.020 A 15 THR CA C 13 60.280 0.3 A 15 THR CB C 13 73.126 0.3 A 15 THR CG2 C 13 21.649 0.3 A 15 THR N N 15 109.710 0.3 A 16 TRP H H 1 9.480 0.020 A 16 TRP HA H 1 5.275 0.020 A 16 TRP HBx H 1 3.071 0.020 A 16 TRP HBy H 1 3.260 0.020 A 16 TRP HD1 H 1 7.985 0.020 A 16 TRP HE1 H 1 9.324 0.020 A 16 TRP HE3 H 1 6.646 0.020 A 16 TRP HH2 H 1 7.077 0.020 A 16 TRP HZ2 H 1 7.296 0.020 A 16 TRP HZ3 H 1 6.012 0.020 A 16 TRP CA C 13 56.638 0.3 A 16 TRP CB C 13 32.266 0.3 A 16 TRP N N 15 122.132 0.3 A 16 TRP NE1 N 15 134.402 0.3 A 17 SER H H 1 8.802 0.020 A 17 SER HA H 1 4.231 0.020 A 17 SER HB2 H 1 3.793 0.020 A 17 SER HB3 H 1 3.793 0.020 A 17 SER CA C 13 59.522 0.3 A 17 SER CB C 13 64.161 0.3 A 17 SER N N 15 124.023 0.3 A 18 GLY HAx H 1 0.844 0.020 A 18 GLY HAy H 1 3.452 0.020 A 18 GLY CA C 13 44.228 0.3 A 19 VAL H H 1 6.540 0.020 A 19 VAL HA H 1 3.799 0.020 A 19 VAL HB H 1 1.638 0.020 A 19 VAL HG1% H 1 0.793 0.020 A 19 VAL HG2% H 1 0.563 0.020 A 19 VAL CA C 13 60.724 0.3 A 19 VAL CB C 13 34.256 0.3 A 19 VAL CG1 C 13 21.966 0.3 A 19 VAL CG2 C 13 20.702 0.3 A 19 VAL N N 15 117.282 0.3 A 20 GLY H H 1 8.348 0.020 A 20 GLY HAx H 1 3.742 0.020 A 20 GLY HAy H 1 4.091 0.020 A 20 GLY CA C 13 44.618 0.3 A 20 GLY N N 15 111.415 0.3 A 21 ARG H H 1 6.840 0.020 A 21 ARG HA H 1 3.598 0.020 A 21 ARG HDx H 1 2.957 0.020 A 21 ARG HDy H 1 3.285 0.020 A 21 ARG HE H 1 7.311 0.020 A 21 ARG CA C 13 57.420 0.3 A 21 ARG CD C 13 44.634 0.3 A 21 ARG N N 15 118.607 0.3 A 21 ARG NE N 15 85.220 0.3 A 22 GLN H H 1 6.214 0.020 A 22 GLN HA H 1 2.702 0.020 A 22 GLN HBx H 1 0.710 0.020 A 22 GLN HBy H 1 1.271 0.020 A 22 GLN HE21 H 1 6.844 0.020 A 22 GLN HE22 H 1 5.971 0.020 A 22 GLN HGx H 1 1.075 0.020 A 22 GLN HGy H 1 1.900 0.020 A 22 GLN CA C 13 52.780 0.3 A 22 GLN CB C 13 27.170 0.3 A 22 GLN CG C 13 34.048 0.3 A 22 GLN N N 15 119.299 0.3 A 22 GLN NE2 N 15 105.358 0.3 A 23 PRO HA H 1 4.387 0.020 A 23 PRO HBx H 1 1.180 0.020 A 23 PRO HBy H 1 1.963 0.020 A 23 PRO HDx H 1 1.393 0.020 A 23 PRO HDy H 1 1.670 0.020 A 23 PRO HGx H 1 0.276 0.020 A 23 PRO HGy H 1 1.393 0.020 A 23 PRO CA C 13 60.514 0.3 A 23 PRO CB C 13 32.182 0.3 A 23 PRO CD C 13 47.744 0.3 A 23 PRO CG C 13 27.439 0.3 A 24 ARG H H 1 9.154 0.020 A 24 ARG HA H 1 3.482 0.020 A 24 ARG HBx H 1 1.705 0.020 A 24 ARG HBy H 1 1.759 0.020 A 24 ARG HD2 H 1 3.062 0.020 A 24 ARG HD3 H 1 3.062 0.020 A 24 ARG HE H 1 7.284 0.020 A 24 ARG HGx H 1 1.434 0.020 A 24 ARG HGy H 1 1.531 0.020 A 24 ARG CA C 13 59.864 0.3 A 24 ARG CB C 13 29.478 0.3 A 24 ARG CD C 13 43.287 0.3 A 24 ARG CG C 13 27.146 0.3 A 24 ARG N N 15 123.469 0.3 A 24 ARG NE N 15 84.466 0.3 A 25 TRP H H 1 7.813 0.020 A 25 TRP HA H 1 4.094 0.020 A 25 TRP HBx H 1 2.971 0.020 A 25 TRP HBy H 1 3.088 0.020 A 25 TRP HD1 H 1 7.346 0.020 A 25 TRP HE1 H 1 10.041 0.020 A 25 TRP HE3 H 1 6.630 0.020 A 25 TRP HH2 H 1 6.466 0.020 A 25 TRP HZ2 H 1 6.838 0.020 A 25 TRP HZ3 H 1 5.409 0.020 A 25 TRP CA C 13 58.573 0.3 A 25 TRP CB C 13 27.025 0.3 A 25 TRP N N 15 113.687 0.3 A 25 TRP NE1 N 15 130.775 0.3 A 26 LEU H H 1 5.622 0.020 A 26 LEU HA H 1 3.284 0.020 A 26 LEU HBx H 1 -1.166 0.020 A 26 LEU HBy H 1 0.301 0.020 A 26 LEU HD1% H 1 -0.171 0.020 A 26 LEU HD2% H 1 0.190 0.020 A 26 LEU HG H 1 0.698 0.020 A 26 LEU CA C 13 56.386 0.3 A 26 LEU CB C 13 40.308 0.3 A 26 LEU CD1 C 13 27.546 0.3 A 26 LEU CD2 C 13 23.642 0.3 A 26 LEU CG C 13 26.194 0.3 A 26 LEU N N 15 125.176 0.3 A 27 LYS H H 1 7.264 0.020 A 27 LYS HA H 1 3.466 0.020 A 27 LYS HB2 H 1 1.467 0.020 A 27 LYS HB3 H 1 1.467 0.020 A 27 LYS HDx H 1 1.349 0.020 A 27 LYS HDy H 1 1.479 0.020 A 27 LYS HE2 H 1 2.708 0.020 A 27 LYS HE3 H 1 2.708 0.020 A 27 LYS HGx H 1 1.054 0.020 A 27 LYS HGy H 1 1.128 0.020 A 27 LYS CA C 13 59.677 0.3 A 27 LYS CB C 13 31.577 0.3 A 27 LYS CD C 13 28.516 0.3 A 27 LYS CE C 13 41.498 0.3 A 27 LYS CG C 13 24.089 0.3 A 27 LYS N N 15 119.347 0.3 A 28 GLU H H 1 8.355 0.020 A 28 GLU HA H 1 3.738 0.020 A 28 GLU HB2 H 1 1.832 0.020 A 28 GLU HB3 H 1 1.832 0.020 A 28 GLU HGx H 1 2.064 0.020 A 28 GLU HGy H 1 2.234 0.020 A 28 GLU CA C 13 59.145 0.3 A 28 GLU CB C 13 29.180 0.3 A 28 GLU CG C 13 36.658 0.3 A 28 GLU N N 15 116.166 0.3 A 29 ALA H H 1 7.220 0.020 A 29 ALA HA H 1 4.187 0.020 A 29 ALA HB% H 1 1.640 0.020 A 29 ALA CA C 13 55.364 0.3 A 29 ALA CB C 13 18.505 0.3 A 29 ALA N N 15 122.540 0.3 A 30 LEU H H 1 8.143 0.020 A 30 LEU HA H 1 4.217 0.020 A 30 LEU HBx H 1 1.429 0.020 A 30 LEU HBy H 1 1.615 0.020 A 30 LEU HD1% H 1 0.603 0.020 A 30 LEU HD2% H 1 0.547 0.020 A 30 LEU HG H 1 1.755 0.020 A 30 LEU CA C 13 57.252 0.3 A 30 LEU CB C 13 40.193 0.3 A 30 LEU CD1 C 13 23.143 0.3 A 30 LEU CD2 C 13 24.633 0.3 A 30 LEU CG C 13 27.231 0.3 A 30 LEU N N 15 119.110 0.3 A 31 LEU H H 1 7.754 0.020 A 31 LEU HA H 1 4.042 0.020 A 31 LEU HBx H 1 1.482 0.020 A 31 LEU HBy H 1 1.724 0.020 A 31 LEU HD1% H 1 0.736 0.020 A 31 LEU HD2% H 1 0.724 0.020 A 31 LEU HG H 1 1.610 0.020 A 31 LEU CA C 13 57.247 0.3 A 31 LEU CB C 13 41.660 0.3 A 31 LEU CD1 C 13 23.252 0.3 A 31 LEU CD2 C 13 24.921 0.3 A 31 LEU CG C 13 26.599 0.3 A 31 LEU N N 15 121.655 0.3 A 32 ASN H H 1 7.475 0.020 A 32 ASN HA H 1 4.746 0.020 A 32 ASN HBx H 1 2.694 0.020 A 32 ASN HBy H 1 2.969 0.020 A 32 ASN HD21 H 1 7.444 0.020 A 32 ASN HD22 H 1 6.833 0.020 A 32 ASN CA C 13 53.052 0.3 A 32 ASN CB C 13 39.237 0.3 A 32 ASN N N 15 116.379 0.3 A 32 ASN ND2 N 15 113.237 0.3 A 33 GLY H H 1 7.674 0.020 A 33 GLY HAx H 1 3.662 0.020 A 33 GLY HAy H 1 4.210 0.020 A 33 GLY CA C 13 45.811 0.3 A 33 GLY N N 15 106.130 0.3 A 34 MET H H 1 7.731 0.020 A 34 MET HA H 1 4.527 0.020 A 34 MET HBx H 1 1.626 0.020 A 34 MET HBy H 1 2.362 0.020 A 34 MET HE% H 1 1.919 0.020 A 34 MET HGx H 1 2.463 0.020 A 34 MET HGy H 1 2.637 0.020 A 34 MET CA C 13 55.077 0.3 A 34 MET CB C 13 32.646 0.3 A 34 MET CE C 13 17.348 0.3 A 34 MET CG C 13 33.092 0.3 A 34 MET N N 15 118.621 0.3 A 35 LYS H H 1 8.594 0.020 A 35 LYS HA H 1 4.673 0.020 A 35 LYS HBx H 1 1.568 0.020 A 35 LYS HBy H 1 1.904 0.020 A 35 LYS HD2 H 1 1.575 0.020 A 35 LYS HD3 H 1 1.575 0.020 A 35 LYS HEx H 1 2.850 0.020 A 35 LYS HEy H 1 2.899 0.020 A 35 LYS HGx H 1 1.306 0.020 A 35 LYS HGy H 1 1.364 0.020 A 35 LYS CA C 13 54.117 0.3 A 35 LYS CB C 13 34.837 0.3 A 35 LYS CD C 13 28.781 0.3 A 35 LYS CE C 13 42.115 0.3 A 35 LYS CG C 13 24.476 0.3 A 35 LYS N N 15 117.415 0.3 A 36 LYS H H 1 9.050 0.020 A 36 LYS HA H 1 3.816 0.020 A 36 LYS HBx H 1 1.719 0.020 A 36 LYS HBy H 1 1.750 0.020 A 36 LYS HDx H 1 1.492 0.020 A 36 LYS HDy H 1 1.532 0.020 A 36 LYS HEx H 1 2.680 0.020 A 36 LYS HEy H 1 2.775 0.020 A 36 LYS HGx H 1 1.200 0.020 A 36 LYS HGy H 1 1.348 0.020 A 36 LYS CA C 13 61.319 0.3 A 36 LYS CB C 13 32.233 0.3 A 36 LYS CD C 13 30.035 0.3 A 36 LYS CE C 13 41.428 0.3 A 36 LYS CG C 13 26.369 0.3 A 36 LYS N N 15 122.938 0.3 A 37 GLU H H 1 9.129 0.020 A 37 GLU HA H 1 4.049 0.020 A 37 GLU HBx H 1 1.945 0.020 A 37 GLU HBy H 1 1.999 0.020 A 37 GLU HGx H 1 2.215 0.020 A 37 GLU HGy H 1 2.338 0.020 A 37 GLU CA C 13 59.738 0.3 A 37 GLU CB C 13 28.530 0.3 A 37 GLU CG C 13 36.910 0.3 A 37 GLU N N 15 114.163 0.3 A 38 ASP H H 1 7.829 0.020 A 38 ASP HA H 1 4.202 0.020 A 38 ASP HBx H 1 2.067 0.020 A 38 ASP HBy H 1 2.412 0.020 A 38 ASP CA C 13 56.900 0.3 A 38 ASP CB C 13 40.180 0.3 A 38 ASP N N 15 119.868 0.3 A 39 PHE H H 1 7.909 0.020 A 39 PHE HA H 1 4.745 0.020 A 39 PHE HBx H 1 3.079 0.020 A 39 PHE HBy H 1 3.954 0.020 A 39 PHE HDx H 1 7.424 0.020 A 39 PHE HDy H 1 7.442 0.020 A 39 PHE HE1 H 1 7.200 0.020 A 39 PHE HE2 H 1 7.200 0.020 A 39 PHE HZ H 1 7.066 0.020 A 39 PHE CA C 13 57.464 0.3 A 39 PHE CB C 13 40.396 0.3 A 39 PHE N N 15 116.115 0.3 A 40 LEU H H 1 6.974 0.020 A 40 LEU HA H 1 3.896 0.020 A 40 LEU HBx H 1 1.404 0.020 A 40 LEU HBy H 1 1.515 0.020 A 40 LEU HD1% H 1 0.520 0.020 A 40 LEU HD2% H 1 0.544 0.020 A 40 LEU HG H 1 1.198 0.020 A 40 LEU CA C 13 56.197 0.3 A 40 LEU CB C 13 43.590 0.3 A 40 LEU CD1 C 13 25.045 0.3 A 40 LEU CD2 C 13 24.544 0.3 A 40 LEU CG C 13 26.979 0.3 A 40 LEU N N 15 122.224 0.3 A 41 VAL H H 1 8.648 0.020 A 41 VAL HA H 1 3.862 0.020 A 41 VAL HB H 1 1.136 0.020 A 41 VAL HG1% H 1 0.577 0.020 A 41 VAL HG2% H 1 0.416 0.020 A 41 VAL CA C 13 61.739 0.3 A 41 VAL CB C 13 33.333 0.3 A 41 VAL CG1 C 13 21.500 0.3 A 41 VAL CG2 C 13 21.313 0.3 A 41 VAL N N 15 127.077 0.3 A 42 LYS H H 1 8.077 0.020 A 42 LYS HA H 1 4.387 0.020 A 42 LYS HBx H 1 1.489 0.020 A 42 LYS HBy H 1 1.633 0.020 A 42 LYS HD2 H 1 1.482 0.020 A 42 LYS HD3 H 1 1.482 0.020 A 42 LYS HE2 H 1 2.798 0.020 A 42 LYS HE3 H 1 2.798 0.020 A 42 LYS HG2 H 1 1.200 0.020 A 42 LYS HG3 H 1 1.200 0.020 A 42 LYS CA C 13 55.341 0.3 A 42 LYS CB C 13 33.813 0.3 A 42 LYS CD C 13 29.161 0.3 A 42 LYS CE C 13 42.007 0.3 A 42 LYS CG C 13 24.654 0.3 A 42 LYS N N 15 123.896 0.3 A 43 ASP H H 1 8.332 0.020 A 43 ASP HA H 1 4.534 0.020 A 43 ASP HBx H 1 2.446 0.020 A 43 ASP HBy H 1 2.588 0.020 A 43 ASP CA C 13 54.327 0.3 A 43 ASP CB C 13 41.138 0.3 A 43 ASP N N 15 122.944 0.3 A 44 THR H H 1 7.950 0.020 A 44 THR HA H 1 4.184 0.020 A 44 THR HB H 1 4.092 0.020 A 44 THR HG2% H 1 1.034 0.020 A 44 THR CA C 13 61.564 0.3 A 44 THR CB C 13 69.719 0.3 A 44 THR CG2 C 13 21.570 0.3 A 44 THR N N 15 113.734 0.3 A 45 GLU H H 1 8.289 0.020 A 45 GLU HA H 1 4.163 0.020 A 45 GLU HBx H 1 1.787 0.020 A 45 GLU HBy H 1 1.927 0.020 A 45 GLU HGx H 1 2.094 0.020 A 45 GLU HGy H 1 2.127 0.020 A 45 GLU CA C 13 56.427 0.3 A 45 GLU CB C 13 30.177 0.3 A 45 GLU CG C 13 36.097 0.3 A 45 GLU N N 15 122.650 0.3 A 46 GLU H H 1 8.192 0.020 A 46 GLU HA H 1 4.145 0.020 A 46 GLU HBx H 1 1.753 0.020 A 46 GLU HBy H 1 1.921 0.020 A 46 GLU HG2 H 1 2.119 0.020 A 46 GLU HG3 H 1 2.119 0.020 A 46 GLU CA C 13 56.355 0.3 A 46 GLU CB C 13 30.442 0.3 A 46 GLU CG C 13 36.070 0.3 A 46 GLU N N 15 121.892 0.3 A 47 GLU H H 1 7.892 0.020 A 47 GLU HA H 1 3.942 0.020 A 47 GLU HBx H 1 1.726 0.020 A 47 GLU HBy H 1 1.873 0.020 A 47 GLU HG2 H 1 2.056 0.020 A 47 GLU HG3 H 1 2.056 0.020 A 47 GLU CA C 13 57.980 0.3 A 47 GLU CB C 13 30.998 0.3 A 47 GLU CG C 13 36.363 0.3 A 47 GLU N N 15 126.940 0.3 B 1 DG H1' H 1 5.809 0.020 B 1 DG H2' H 1 2.430 0.020 B 1 DG H2'' H 1 2.609 0.020 B 1 DG H3' H 1 4.688 0.020 B 1 DG H4' H 1 4.073 0.020 B 1 DG H5' H 1 3.555 0.020 B 1 DG H5'' H 1 3.555 0.020 B 1 DG H8 H 1 7.798 0.020 B 2 DC H1' H 1 5.498 0.020 B 2 DC H2' H 1 1.856 0.020 B 2 DC H2'' H 1 2.224 0.020 B 2 DC H3' H 1 4.696 0.020 B 2 DC H4y H 1 8.297 0.020 B 2 DC H4x H 1 6.334 0.020 B 2 DC H5 H 1 5.208 0.020 B 2 DC H5' H 1 4.009 0.020 B 2 DC H5'' H 1 3.957 0.020 B 2 DC H6 H 1 7.210 0.020 B 3 DG H1 H 1 12.626 0.020 B 3 DG H1' H 1 5.452 0.020 B 3 DG H2' H 1 2.542 0.020 B 3 DG H2'' H 1 2.643 0.020 B 3 DG H3' H 1 4.857 0.020 B 3 DG H4' H 1 4.194 0.020 B 3 DG H5' H 1 3.957 0.020 B 3 DG H5'' H 1 3.872 0.020 B 3 DG H8 H 1 7.729 0.020 B 4 DA H1' H 1 6.046 0.020 B 4 DA H2 H 1 7.542 0.020 B 4 DA H2' H 1 2.436 0.020 B 4 DA H2'' H 1 2.752 0.020 B 4 DA H3' H 1 4.856 0.020 B 4 DA H4' H 1 4.292 0.020 B 4 DA H5' H 1 4.039 0.020 B 4 DA H5'' H 1 4.065 0.020 B 4 DA H8 H 1 8.008 0.020 B 5 DT H1' H 1 5.433 0.020 B 5 DT H2' H 1 1.848 0.020 B 5 DT H2'' H 1 2.282 0.020 B 5 DT H3 H 1 13.001 0.020 B 5 DT H3' H 1 4.692 0.020 B 5 DT H4' H 1 4.069 0.020 B 5 DT H5' H 1 4.022 0.020 B 5 DT H5'' H 1 3.978 0.020 B 5 DT H6 H 1 6.928 0.020 B 5 DT H7% H 1 1.237 0.020 B 6 DA H1' H 1 5.804 0.020 B 6 DA H2 H 1 6.348 0.020 B 6 DA H2' H 1 2.521 0.020 B 6 DA H2'' H 1 2.771 0.020 B 6 DA H3' H 1 4.874 0.020 B 6 DA H5' H 1 3.973 0.020 B 6 DA H5'' H 1 4.035 0.020 B 6 DA H8 H 1 7.986 0.020 B 7 DA H1' H 1 5.915 0.020 B 7 DA H2 H 1 7.357 0.020 B 7 DA H2' H 1 2.446 0.020 B 7 DA H2'' H 1 2.511 0.020 B 7 DA H3' H 1 4.814 0.020 B 7 DA H4' H 1 4.276 0.020 B 7 DA H5' H 1 3.975 0.020 B 7 DA H5'' H 1 4.038 0.020 B 7 DA H8 H 1 7.916 0.020 B 8 DT H1' H 1 5.604 0.020 B 8 DT H2' H 1 1.726 0.020 B 8 DT H2'' H 1 2.190 0.020 B 8 DT H3 H 1 13.410 0.020 B 8 DT H3' H 1 4.516 0.020 B 8 DT H6 H 1 6.900 0.020 B 8 DT H7% H 1 1.060 0.020 B 9 DT H1' H 1 5.562 0.020 B 9 DT H2' H 1 2.250 0.020 B 9 DT H3 H 1 13.414 0.020 B 9 DT H5' H 1 3.947 0.020 B 9 DT H5'' H 1 3.897 0.020 B 9 DT H6 H 1 7.107 0.020 B 9 DT H7% H 1 1.372 0.020 B 10 DG H1 H 1 12.154 0.020 B 10 DG H1' H 1 5.456 0.020 B 10 DG H2' H 1 2.548 0.020 B 10 DG H2'' H 1 2.641 0.020 B 10 DG H3' H 1 4.841 0.020 B 10 DG H4' H 1 4.228 0.020 B 10 DG H5' H 1 3.931 0.020 B 10 DG H5'' H 1 3.931 0.020 B 10 DG H8 H 1 7.709 0.020 B 11 DA H1' H 1 5.991 0.020 B 11 DA H2 H 1 7.496 0.020 B 11 DA H2' H 1 2.441 0.020 B 11 DA H2'' H 1 2.695 0.020 B 11 DA H3' H 1 4.821 0.020 B 11 DA H4' H 1 4.225 0.020 B 11 DA H5' H 1 3.989 0.020 B 11 DA H5'' H 1 4.031 0.020 B 11 DA H8 H 1 7.995 0.020 B 12 DT H1' H 1 5.363 0.020 B 12 DT H2' H 1 1.757 0.020 B 12 DT H2'' H 1 2.113 0.020 B 12 DT H3 H 1 13.179 0.020 B 12 DT H5' H 1 3.913 0.020 B 12 DT H5'' H 1 3.913 0.020 B 12 DT H6 H 1 6.957 0.020 B 12 DT H7% H 1 1.223 0.020 B 13 DA H1' H 1 5.737 0.020 B 13 DA H2 H 1 7.236 0.020 B 13 DA H2' H 1 2.466 0.020 B 13 DA H2'' H 1 2.642 0.020 B 13 DA H3' H 1 4.835 0.020 B 13 DA H4' H 1 4.151 0.020 B 13 DA H5' H 1 3.944 0.020 B 13 DA H5'' H 1 4.036 0.020 B 13 DA H8 H 1 7.954 0.020 B 14 DG H1 H 1 12.699 0.020 B 14 DG H1' H 1 5.411 0.020 B 14 DG H2' H 1 2.327 0.020 B 14 DG H2'' H 1 2.462 0.020 B 14 DG H3' H 1 4.780 0.020 B 14 DG H4' H 1 4.160 0.020 B 14 DG H5' H 1 3.968 0.020 B 14 DG H5'' H 1 4.039 0.020 B 14 DG H8 H 1 7.470 0.020 B 15 DG H1' H 1 5.954 0.020 B 15 DG H2' H 1 2.263 0.020 B 15 DG H2'' H 1 2.180 0.020 B 15 DG H3' H 1 4.442 0.020 B 15 DG H5' H 1 4.040 0.020 B 15 DG H5'' H 1 3.946 0.020 B 15 DG H8 H 1 7.528 0.020 C 16 DC H1' H 1 5.834 0.020 C 16 DC H2' H 1 2.095 0.020 C 16 DC H2'' H 1 2.407 0.020 C 16 DC H3' H 1 4.530 0.020 C 16 DC H4' H 1 3.977 0.020 C 16 DC H5 H 1 5.798 0.020 C 16 DC H5' H 1 3.658 0.020 C 16 DC H5'' H 1 3.612 0.020 C 16 DC H6 H 1 7.646 0.020 C 17 DC H1' H 1 5.844 0.020 C 17 DC H2' H 1 2.009 0.020 C 17 DC H2'' H 1 2.352 0.020 C 17 DC H3' H 1 4.668 0.020 C 17 DC H4' H 1 4.044 0.020 C 17 DC H4y H 1 8.237 0.020 C 17 DC H4x H 1 6.814 0.020 C 17 DC H5 H 1 5.518 0.020 C 17 DC H5' H 1 3.959 0.020 C 17 DC H5'' H 1 3.932 0.020 C 17 DC H6 H 1 7.510 0.020 C 18 DT H1' H 1 5.536 0.020 C 18 DT H2' H 1 2.092 0.020 C 18 DT H2'' H 1 2.380 0.020 C 18 DT H3 H 1 13.445 0.020 C 18 DT H3' H 1 4.744 0.020 C 18 DT H5' H 1 4.041 0.020 C 18 DT H5'' H 1 3.944 0.020 C 18 DT H6 H 1 7.289 0.020 C 18 DT H7% H 1 1.546 0.020 C 19 DA H1' H 1 6.109 0.020 C 19 DA H2 H 1 7.167 0.020 C 19 DA H2' H 1 2.530 0.020 C 19 DA H2'' H 1 2.779 0.020 C 19 DA H3' H 1 4.858 0.020 C 19 DA H4' H 1 4.277 0.020 C 19 DA H5' H 1 3.952 0.020 C 19 DA H5'' H 1 3.993 0.020 C 19 DA H8 H 1 8.201 0.020 C 20 DT H1' H 1 5.640 0.020 C 20 DT H2' H 1 2.173 0.020 C 20 DT H2'' H 1 1.811 0.020 C 20 DT H3 H 1 13.233 0.020 C 20 DT H3' H 1 4.640 0.020 C 20 DT H4' H 1 4.074 0.020 C 20 DT H5' H 1 4.014 0.020 C 20 DT H5'' H 1 3.945 0.020 C 20 DT H6 H 1 6.958 0.020 C 20 DT H7% H 1 1.213 0.020 C 21 DC H1' H 1 5.193 0.020 C 21 DC H2' H 1 1.665 0.020 C 21 DC H2'' H 1 2.081 0.020 C 21 DC H3' H 1 4.562 0.020 C 21 DC H4x H 1 6.351 0.020 C 21 DC H4y H 1 8.173 0.020 C 21 DC H5 H 1 5.402 0.020 C 21 DC H5' H 1 3.857 0.020 C 21 DC H5'' H 1 3.808 0.020 C 21 DC H6 H 1 7.236 0.020 C 22 DA H1' H 1 5.654 0.020 C 22 DA H2 H 1 6.956 0.020 C 22 DA H2' H 1 2.561 0.020 C 22 DA H2'' H 1 2.701 0.020 C 22 DA H3' H 1 4.851 0.020 C 22 DA H4' H 1 4.179 0.020 C 22 DA H5' H 1 3.915 0.020 C 22 DA H5'' H 1 3.963 0.020 C 22 DA H8 H 1 8.016 0.020 C 23 DA H1' H 1 5.935 0.020 C 23 DA H2 H 1 7.414 0.020 C 23 DA H2' H 1 2.440 0.020 C 23 DA H2'' H 1 2.639 0.020 C 23 DA H3' H 1 4.825 0.020 C 23 DA H4' H 1 4.198 0.020 C 23 DA H5' H 1 3.972 0.020 C 23 DA H5'' H 1 4.016 0.020 C 23 DA H8 H 1 8.000 0.020 C 24 DT H1' H 1 5.635 0.020 C 24 DT H2' H 1 1.796 0.020 C 24 DT H2'' H 1 2.252 0.020 C 24 DT H3 H 1 13.415 0.020 C 24 DT H3' H 1 4.529 0.020 C 24 DT H5' H 1 4.017 0.020 C 24 DT H5'' H 1 3.977 0.020 C 24 DT H6 H 1 6.912 0.020 C 24 DT H7% H 1 1.169 0.020 C 25 DT H1' H 1 5.715 0.020 C 25 DT H2' H 1 2.485 0.020 C 25 DT H3 H 1 13.213 0.020 C 25 DT H6 H 1 7.284 0.020 C 25 DT H7% H 1 1.448 0.020 C 26 DA H1' H 1 6.036 0.020 C 26 DA H2 H 1 6.940 0.020 C 26 DA H2' H 1 2.553 0.020 C 26 DA H2'' H 1 2.811 0.020 C 26 DA H3' H 1 4.871 0.020 C 26 DA H5' H 1 4.008 0.020 C 26 DA H5'' H 1 4.008 0.020 C 26 DA H8 H 1 8.169 0.020 C 27 DT H1' H 1 5.722 0.020 C 27 DT H2' H 1 1.882 0.020 C 27 DT H2'' H 1 2.275 0.020 C 27 DT H3 H 1 13.294 0.020 C 27 DT H3' H 1 4.670 0.020 C 27 DT H5' H 1 3.998 0.020 C 27 DT H5'' H 1 3.946 0.020 C 27 DT H6 H 1 6.979 0.020 C 27 DT H7% H 1 1.136 0.020 C 28 DC H1' H 1 5.490 0.020 C 28 DC H2' H 1 1.810 0.020 C 28 DC H2'' H 1 2.224 0.020 C 28 DC H4y H 1 8.215 0.020 C 28 DC H4x H 1 6.592 0.020 C 28 DC H5 H 1 5.415 0.020 C 28 DC H5' H 1 3.948 0.020 C 28 DC H5'' H 1 3.948 0.020 C 28 DC H6 H 1 7.256 0.020 C 29 DG H1 H 1 12.880 0.020 C 29 DG H1' H 1 5.796 0.020 C 29 DG H2' H 1 2.470 0.020 C 29 DG H2'' H 1 2.580 0.020 C 29 DG H3' H 1 4.822 0.020 C 29 DG H4' H 1 4.217 0.020 C 29 DG H5' H 1 3.953 0.020 C 29 DG H5'' H 1 3.884 0.020 C 29 DG H8 H 1 7.753 0.020 C 30 DC H1' H 1 6.023 0.020 C 30 DC H2' H 1 2.017 0.020 C 30 DC H2'' H 1 2.034 0.020 C 30 DC H3' H 1 4.343 0.020 C 30 DC H4' H 1 3.880 0.020 C 30 DC H4y H 1 8.068 0.020 C 30 DC H4x H 1 6.572 0.020 C 30 DC H5 H 1 5.330 0.020 C 30 DC H5' H 1 4.067 0.020 C 30 DC H5'' H 1 3.876 0.020 C 30 DC H6 H 1 7.291 0.020 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A -2 SER HA A -1 MET HA 1.0 1.8 5.79 2 2 A -2 SER HA A -1 MET HBx 1.0 1.8 5.82 3 3 A -2 SER HA A -1 MET HGx 1.0 1.8 5.60 4 4 A -2 SER HA A -1 MET HGy 1.0 1.8 5.90 5 5 A -1 MET HA A -2 SER HB2 1.0 1.8 5.90 6 5 A -1 MET HA A -2 SER HB3 1.0 1.8 5.90 7 6 A -1 MET HGx A -2 SER HB2 1.0 1.8 5.52 8 6 A -1 MET HGx A -2 SER HB3 1.0 1.8 5.52 9 7 A -1 MET HGy A -2 SER HB2 1.0 1.8 5.67 10 7 A -1 MET HGy A -2 SER HB3 1.0 1.8 5.67 11 8 A -1 MET H A -2 SER HB2 1.0 1.8 4.36 12 8 A -2 SER HB3 A -1 MET H 1.0 1.8 4.36 13 9 A -1 MET HA A -1 MET HBy 1.0 1.8 3.23 14 10 A -1 MET HA A -1 MET HGx 1.0 1.8 4.49 15 11 A -1 MET HA A 0 GLY HA2 1.0 1.8 4.76 16 11 A -1 MET HA A 0 GLY HA3 1.0 1.8 4.76 17 12 A -1 MET HBx A -1 MET HE% 1.0 1.8 4.43 18 13 A -1 MET HBx A 0 GLY H 1.0 1.8 4.84 19 14 A -1 MET HBx A 42 LYS HE2 1.0 1.8 5.90 20 14 A -1 MET HBx A 42 LYS HE3 1.0 1.8 5.90 21 15 A -1 MET HBx A 45 GLU HA 1.0 1.8 5.90 22 16 A -1 MET HBy A 0 GLY H 1.0 1.8 4.68 23 17 A -1 MET HBy A 42 LYS HBx 1.0 1.8 5.90 24 18 A -1 MET HBy A 42 LYS HE2 1.0 1.8 5.32 25 18 A -1 MET HBy A 42 LYS HE3 1.0 1.8 5.32 26 19 A -1 MET HBy A 42 LYS HG2 1.0 1.8 5.33 27 19 A -1 MET HBy A 42 LYS HG3 1.0 1.8 5.33 28 20 A -1 MET HE% A 1 ASN HA 1.0 1.8 5.90 29 21 A -1 MET HE% A 1 ASN HBx 1.0 1.8 5.90 30 22 A -1 MET HE% A 1 ASN HD21 1.0 1.8 5.90 31 23 A -1 MET HE% A 1 ASN HD22 1.0 1.8 5.90 32 24 A -1 MET HE% A 1 ASN H 1.0 1.8 5.90 33 25 A -1 MET HE% A 42 LYS HBx 1.0 1.8 5.84 34 26 A -1 MET HE% A 42 LYS HBy 1.0 1.8 5.31 35 27 A -1 MET HE% A 44 THR HA 1.0 1.8 5.24 36 28 A -1 MET HE% A 44 THR H 1.0 1.8 5.90 37 29 A -1 MET HE% A 4 LYS HBy 1.0 1.8 5.07 38 30 A -1 MET HE% A 4 LYS HD2 1.0 1.8 5.90 39 30 A -1 MET HE% A 4 LYS HD3 1.0 1.8 5.90 40 31 A -1 MET HE% A 4 LYS HGx 1.0 1.8 5.90 41 32 A -1 MET HGx A -1 MET HE% 1.0 1.8 3.85 42 33 A -1 MET HGx A 1 ASN HBx 1.0 1.8 4.88 43 34 A -1 MET HGx A 42 LYS HE2 1.0 1.8 5.90 44 34 A -1 MET HGx A 42 LYS HE3 1.0 1.8 5.90 45 35 A -1 MET HGx A 42 LYS HG2 1.0 1.8 5.90 46 35 A -1 MET HGx A 42 LYS HG3 1.0 1.8 5.90 47 36 A -1 MET HGy A -1 MET HE% 1.0 1.8 3.74 48 37 A -1 MET HGy A 0 GLY HA2 1.0 1.8 5.62 49 37 A -1 MET HGy A 0 GLY HA3 1.0 1.8 5.62 50 38 A -1 MET HGy A 0 GLY H 1.0 1.8 5.87 51 39 A -1 MET HGy A 1 ASN HBx 1.0 1.8 5.02 52 40 A -1 MET HGy A 42 LYS HBx 1.0 1.8 5.90 53 41 A -1 MET HGy A 42 LYS HBy 1.0 1.8 5.80 54 42 A -1 MET HGy A 42 LYS HE2 1.0 1.8 5.18 55 42 A -1 MET HGy A 42 LYS HE3 1.0 1.8 5.18 56 43 A -1 MET HGy A 42 LYS HG2 1.0 1.8 5.90 57 43 A -1 MET HGy A 42 LYS HG3 1.0 1.8 5.90 58 44 A -1 MET HBx A -1 MET H 1.0 1.8 4.16 59 45 A -1 MET HGx A -1 MET H 1.0 1.8 5.03 60 46 A -1 MET H A 0 GLY HA2 1.0 1.8 5.21 61 46 A -1 MET H A 0 GLY HA3 1.0 1.8 5.21 62 47 A 1 ASN HA A 0 GLY HA2 1.0 1.8 4.40 63 47 A 0 GLY HA3 A 1 ASN HA 1.0 1.8 4.40 64 48 A 1 ASN HBx A 0 GLY HA2 1.0 1.8 5.00 65 48 A 0 GLY HA3 A 1 ASN HBx 1.0 1.8 5.00 66 49 A 1 ASN HBy A 0 GLY HA2 1.0 1.8 4.88 67 49 A 0 GLY HA3 A 1 ASN HBy 1.0 1.8 4.88 68 50 A 1 ASN H A 0 GLY HA2 1.0 1.8 3.58 69 50 A 0 GLY HA3 A 1 ASN H 1.0 1.8 3.58 70 51 A 0 GLY HA2 A 42 LYS HE2 1.0 1.8 4.51 71 51 A 0 GLY HA3 A 42 LYS HE2 1.0 1.8 4.51 72 51 A 42 LYS HE3 A 0 GLY HA2 1.0 1.8 4.51 73 51 A 0 GLY HA3 A 42 LYS HE3 1.0 1.8 4.51 74 52 A 0 GLY H A 0 GLY HA2 1.0 1.8 3.18 75 52 A 0 GLY HA3 A 0 GLY H 1.0 1.8 3.18 76 53 A 0 GLY H A 42 LYS HE2 1.0 1.8 5.29 77 53 A 0 GLY H A 42 LYS HE3 1.0 1.8 5.29 78 54 A 1 ASN HA A 1 ASN HBx 1.0 1.8 3.39 79 55 A 1 ASN HA A 1 ASN HBy 1.0 1.8 3.00 80 56 A 1 ASN HA A 1 ASN HD21 1.0 1.8 3.98 81 57 A 1 ASN HA A 1 ASN HD22 1.0 1.8 4.46 82 58 A 1 ASN HA A 2 SER HA 1.0 1.8 4.96 83 59 A 1 ASN HA A 2 SER HB2 1.0 1.8 5.28 84 59 A 1 ASN HA A 2 SER HB3 1.0 1.8 5.28 85 60 A 1 ASN HA A 2 SER H 1.0 1.8 2.80 86 61 A 1 ASN HA A 6 VAL HG2% 1.0 1.8 5.88 87 62 A 1 ASN HBx A 1 ASN HD21 1.0 1.8 4.30 88 63 A 1 ASN HBx A 2 SER HA 1.0 1.8 5.49 89 64 A 1 ASN HBx A 42 LYS HD2 1.0 1.8 5.24 90 64 A 1 ASN HBx A 42 LYS HD3 1.0 1.8 5.24 91 65 A 1 ASN HBx A 4 LYS HBx 1.0 1.8 5.90 92 66 A 1 ASN HBx A 4 LYS HE2 1.0 1.8 5.15 93 66 A 1 ASN HBx A 4 LYS HE3 1.0 1.8 5.15 94 67 A 1 ASN HBx A 6 VAL HG2% 1.0 1.8 5.55 95 68 A 1 ASN HBy A 4 LYS HGy 1.0 1.8 5.90 96 69 A 1 ASN HBy A 6 VAL HG2% 1.0 1.8 5.90 97 70 A 1 ASN HD21 A 4 LYS HBy 1.0 1.8 5.50 98 71 A 1 ASN HD22 A 2 SER HA 1.0 1.8 5.53 99 72 A 1 ASN HD22 A 2 SER HB2 1.0 1.8 5.83 100 72 A 1 ASN HD22 A 2 SER HB3 1.0 1.8 5.83 101 73 A 1 ASN HD22 A 3 SER HA 1.0 1.8 5.90 102 74 A 1 ASN HD22 A 3 SER HB2 1.0 1.8 5.90 103 74 A 1 ASN HD22 A 3 SER HB3 1.0 1.8 5.90 104 75 A 1 ASN HD22 A 4 LYS HBx 1.0 1.8 5.90 105 76 A 1 ASN HD22 A 4 LYS HBy 1.0 1.8 5.90 106 77 A 1 ASN HD22 A 4 LYS HE2 1.0 1.8 4.54 107 77 A 1 ASN HD22 A 4 LYS HE3 1.0 1.8 4.54 108 78 A 1 ASN HD22 A 6 VAL HG2% 1.0 1.8 5.74 109 79 A 1 ASN HA A 1 ASN H 1.0 1.8 3.33 110 80 A 1 ASN HBx A 1 ASN H 1.0 1.8 4.16 111 81 A 1 ASN H A 1 ASN HBy 1.0 1.8 4.17 112 82 A 2 SER HA A 42 LYS HG2 1.0 1.8 5.90 113 82 A 42 LYS HG3 A 2 SER HA 1.0 1.8 5.90 114 83 A 2 SER HA A 6 VAL HB 1.0 1.8 4.86 115 84 A 2 SER HA A 6 VAL HG2% 1.0 1.8 4.22 116 85 A 2 SER HA A 6 VAL H 1.0 1.8 5.78 117 86 A 6 VAL HG2% A 2 SER HB2 1.0 1.8 4.34 118 86 A 2 SER HB3 A 6 VAL HG2% 1.0 1.8 4.34 119 87 A 2 SER H A 2 SER HB2 1.0 1.8 3.60 120 87 A 2 SER HB3 A 2 SER H 1.0 1.8 3.60 121 88 A 2 SER H A 3 SER HB2 1.0 1.8 4.07 122 88 A 2 SER H A 3 SER HB3 1.0 1.8 4.07 123 89 A 4 LYS HGy A 3 SER HA 1.0 1.8 5.56 124 90 A 3 SER HA A 4 LYS H 1.0 1.8 3.52 125 91 A 4 LYS H A 3 SER HB2 1.0 1.8 4.22 126 91 A 3 SER HB3 A 4 LYS H 1.0 1.8 4.22 127 92 A 3 SER H A 3 SER HB2 1.0 1.8 3.79 128 92 A 3 SER HB3 A 3 SER H 1.0 1.8 3.79 129 93 A 4 LYS HGy A 3 SER H 1.0 1.8 5.71 130 94 A 4 LYS HBy A 4 LYS HA 1.0 1.8 3.39 131 95 A 4 LYS HA A 4 LYS HD2 1.0 1.8 4.21 132 95 A 4 LYS HD3 A 4 LYS HA 1.0 1.8 4.21 133 96 A 4 LYS HA A 4 LYS HE2 1.0 1.8 4.93 134 96 A 4 LYS HE3 A 4 LYS HA 1.0 1.8 4.93 135 97 A 4 LYS HGx A 4 LYS HA 1.0 1.8 4.55 136 98 A 4 LYS HGy A 4 LYS HA 1.0 1.8 3.43 137 99 A 4 LYS HA A 5 GLY HA2 1.0 1.8 4.41 138 99 A 4 LYS HA A 5 GLY HA3 1.0 1.8 4.41 139 100 A 4 LYS HA A 5 GLY H 1.0 1.8 3.62 140 101 A 6 VAL HG2% A 4 LYS HA 1.0 1.8 5.21 141 102 A 6 VAL H A 4 LYS HA 1.0 1.8 5.02 142 103 A 4 LYS HBx A 43 ASP HBx 1.0 1.8 5.37 143 104 A 4 LYS HBx A 43 ASP HBy 1.0 1.8 5.58 144 105 A 4 LYS HBx A 4 LYS HD2 1.0 1.8 4.00 145 105 A 4 LYS HD3 A 4 LYS HBx 1.0 1.8 4.00 146 106 A 4 LYS HBx A 4 LYS HE2 1.0 1.8 4.16 147 106 A 4 LYS HBx A 4 LYS HE3 1.0 1.8 4.16 148 107 A 4 LYS HBx A 5 GLY HA2 1.0 1.8 5.34 149 107 A 4 LYS HBx A 5 GLY HA3 1.0 1.8 5.34 150 108 A 6 VAL HG2% A 4 LYS HBx 1.0 1.8 4.84 151 109 A 4 LYS HBx A 6 VAL H 1.0 1.8 5.45 152 110 A 4 LYS HBy A 4 LYS HD2 1.0 1.8 4.16 153 110 A 4 LYS HBy A 4 LYS HD3 1.0 1.8 4.16 154 111 A 4 LYS HBy A 4 LYS HE2 1.0 1.8 5.10 155 111 A 4 LYS HBy A 4 LYS HE3 1.0 1.8 5.10 156 112 A 4 LYS HBy A 5 GLY HA2 1.0 1.8 4.88 157 112 A 4 LYS HBy A 5 GLY HA3 1.0 1.8 4.88 158 113 A 4 LYS HBy A 6 VAL HG2% 1.0 1.8 5.07 159 114 A 4 LYS HBy A 6 VAL H 1.0 1.8 5.58 160 115 A 43 ASP HBy A 4 LYS HD2 1.0 1.8 5.74 161 115 A 4 LYS HD3 A 43 ASP HBy 1.0 1.8 5.74 162 116 A 4 LYS HD3 A 5 GLY HA2 1.0 1.8 5.90 163 116 A 4 LYS HD2 A 5 GLY HA2 1.0 1.8 5.90 164 116 A 5 GLY HA3 A 4 LYS HD2 1.0 1.8 5.90 165 116 A 4 LYS HD3 A 5 GLY HA3 1.0 1.8 5.90 166 117 A 6 VAL HG2% A 4 LYS HE2 1.0 1.8 5.70 167 117 A 6 VAL HG2% A 4 LYS HE3 1.0 1.8 5.70 168 118 A 4 LYS HGy A 4 LYS HD2 1.0 1.8 3.16 169 118 A 4 LYS HD3 A 4 LYS HGy 1.0 1.8 3.16 170 119 A 4 LYS HGy A 4 LYS HE2 1.0 1.8 4.08 171 119 A 4 LYS HE3 A 4 LYS HGy 1.0 1.8 4.08 172 120 A 4 LYS HGy A 5 GLY H 1.0 1.8 5.52 173 121 A 4 LYS HBx A 4 LYS H 1.0 1.8 4.01 174 122 A 4 LYS HGy A 4 LYS H 1.0 1.8 4.25 175 123 A 6 VAL HG2% A 4 LYS H 1.0 1.8 5.90 176 124 A 43 ASP HA A 5 GLY HA2 1.0 1.8 5.90 177 124 A 5 GLY HA3 A 43 ASP HA 1.0 1.8 5.90 178 125 A 43 ASP HBx A 5 GLY HA2 1.0 1.8 4.77 179 125 A 5 GLY HA3 A 43 ASP HBx 1.0 1.8 4.77 180 126 A 43 ASP HBy A 5 GLY HA2 1.0 1.8 4.81 181 126 A 5 GLY HA3 A 43 ASP HBy 1.0 1.8 4.81 182 127 A 43 ASP H A 5 GLY HA2 1.0 1.8 5.47 183 127 A 5 GLY HA3 A 43 ASP H 1.0 1.8 5.47 184 128 A 6 VAL HA A 5 GLY HA2 1.0 1.8 5.90 185 128 A 5 GLY HA3 A 6 VAL HA 1.0 1.8 5.90 186 129 A 6 VAL HB A 5 GLY HA2 1.0 1.8 5.69 187 129 A 6 VAL HB A 5 GLY HA3 1.0 1.8 5.69 188 130 A 6 VAL HG2% A 5 GLY HA2 1.0 1.8 4.27 189 130 A 6 VAL HG2% A 5 GLY HA3 1.0 1.8 4.27 190 131 A 6 VAL H A 5 GLY HA2 1.0 1.8 3.46 191 131 A 6 VAL H A 5 GLY HA3 1.0 1.8 3.46 192 132 A 7 TYR HD% A 5 GLY HA2 1.0 1.8 5.73 193 132 A 5 GLY HA3 A 7 TYR HD% 1.0 1.8 5.73 194 133 A 7 TYR HE% A 5 GLY HA2 1.0 1.8 5.90 195 133 A 5 GLY HA3 A 7 TYR HE% 1.0 1.8 5.90 196 134 A 5 GLY H A 43 ASP HBx 1.0 1.8 5.61 197 135 A 5 GLY H A 43 ASP HBy 1.0 1.8 5.90 198 136 A 5 GLY H A 5 GLY HA2 1.0 1.8 3.29 199 136 A 5 GLY HA3 A 5 GLY H 1.0 1.8 3.29 200 137 A 6 VAL HG2% A 5 GLY H 1.0 1.8 5.13 201 138 A 6 VAL H A 5 GLY H 1.0 1.8 3.93 202 139 A 6 VAL HA A 40 LEU HD2% 1.0 1.8 4.91 203 140 A 42 LYS HBy A 6 VAL HA 1.0 1.8 5.90 204 141 A 6 VAL HA A 42 LYS HD2 1.0 1.8 5.07 205 141 A 42 LYS HD3 A 6 VAL HA 1.0 1.8 5.07 206 142 A 6 VAL HA A 42 LYS HG2 1.0 1.8 4.72 207 142 A 42 LYS HG3 A 6 VAL HA 1.0 1.8 4.72 208 143 A 43 ASP HA A 6 VAL HA 1.0 1.8 5.72 209 144 A 43 ASP HBx A 6 VAL HA 1.0 1.8 5.90 210 145 A 43 ASP HBy A 6 VAL HA 1.0 1.8 5.90 211 146 A 43 ASP H A 6 VAL HA 1.0 1.8 5.29 212 147 A 6 VAL HG2% A 6 VAL HA 1.0 1.8 3.53 213 148 A 6 VAL HA A 6 VAL HG1% 1.0 1.8 3.29 214 149 A 6 VAL HA A 7 TYR HA 1.0 1.8 5.60 215 150 A 6 VAL HA A 7 TYR HBx 1.0 1.8 5.90 216 151 A 6 VAL HA A 7 TYR HD% 1.0 1.8 5.27 217 152 A 6 VAL HA A 7 TYR HE% 1.0 1.8 5.90 218 153 A 6 VAL HA A 7 TYR H 1.0 1.8 3.57 219 154 A 6 VAL HB A 42 LYS HD2 1.0 1.8 4.81 220 154 A 42 LYS HD3 A 6 VAL HB 1.0 1.8 4.81 221 155 A 6 VAL HB A 42 LYS HG2 1.0 1.8 4.81 222 155 A 42 LYS HG3 A 6 VAL HB 1.0 1.8 4.81 223 156 A 6 VAL HB A 7 TYR HD% 1.0 1.8 5.78 224 157 A 6 VAL HB A 7 TYR H 1.0 1.8 4.22 225 158 A 6 VAL HG2% A 17 SER HA 1.0 1.8 5.90 226 159 A 6 VAL HG2% A 42 LYS HA 1.0 1.8 5.12 227 160 A 6 VAL HG2% A 42 LYS HD2 1.0 1.8 4.40 228 160 A 6 VAL HG2% A 42 LYS HD3 1.0 1.8 4.40 229 161 A 6 VAL HG2% A 42 LYS HG2 1.0 1.8 4.10 230 161 A 42 LYS HG3 A 6 VAL HG2% 1.0 1.8 4.10 231 162 A 6 VAL HG2% A 43 ASP HBx 1.0 1.8 5.90 232 163 A 6 VAL HG2% A 43 ASP HBy 1.0 1.8 5.90 233 164 A 6 VAL HG2% A 43 ASP H 1.0 1.8 5.48 234 165 A 6 VAL HG2% A 7 TYR HA 1.0 1.8 5.90 235 166 A 6 VAL HG1% A 41 VAL HA 1.0 1.8 5.52 236 167 A 6 VAL HG1% A 41 VAL H 1.0 1.8 5.32 237 168 A 6 VAL HG1% A 42 LYS HA 1.0 1.8 3.68 238 169 A 42 LYS HBx A 6 VAL HG1% 1.0 1.8 4.63 239 170 A 6 VAL HG1% A 42 LYS HD2 1.0 1.8 4.04 240 170 A 42 LYS HD3 A 6 VAL HG1% 1.0 1.8 4.04 241 171 A 6 VAL HG1% A 42 LYS HE2 1.0 1.8 5.15 242 171 A 42 LYS HE3 A 6 VAL HG1% 1.0 1.8 5.15 243 172 A 6 VAL HG1% A 42 LYS HG2 1.0 1.8 3.81 244 172 A 42 LYS HG3 A 6 VAL HG1% 1.0 1.8 3.81 245 173 A 43 ASP HBx A 6 VAL HG1% 1.0 1.8 5.90 246 174 A 43 ASP H A 6 VAL HG1% 1.0 1.8 5.46 247 175 A 6 VAL HG1% A 7 TYR HA 1.0 1.8 4.79 248 176 A 6 VAL HG1% A 7 TYR HBy 1.0 1.8 5.90 249 176 A 6 VAL HG1% A 7 TYR HBx 1.0 1.8 5.90 250 177 A 7 TYR HD% A 6 VAL HG1% 1.0 1.8 5.63 251 178 A 6 VAL HG1% A 7 TYR H 1.0 1.8 4.26 252 179 A 6 VAL HG1% A 8 TYR HA 1.0 1.8 5.90 253 180 A 6 VAL HG1% A 8 TYR HD% 1.0 1.8 5.69 254 181 A 6 VAL HG1% A 8 TYR HE% 1.0 1.8 5.90 255 182 A 6 VAL H A 42 LYS HA 1.0 1.8 5.90 256 183 A 6 VAL H A 42 LYS HG2 1.0 1.8 5.74 257 183 A 42 LYS HG3 A 6 VAL H 1.0 1.8 5.74 258 184 A 6 VAL HB A 6 VAL H 1.0 1.8 3.90 259 185 A 6 VAL HG2% A 6 VAL H 1.0 1.8 3.68 260 186 A 6 VAL H A 6 VAL HG1% 1.0 1.8 4.39 261 187 A 6 VAL H A 7 TYR H 1.0 1.8 5.72 262 188 A 7 TYR HA A 16 TRP H 1.0 1.8 5.66 263 189 A 7 TYR HA A 17 SER HA 1.0 1.8 4.71 264 190 A 7 TYR HD% A 7 TYR HA 1.0 1.8 4.51 265 191 A 7 TYR HA A 8 TYR HA 1.0 1.8 5.66 266 192 A 17 SER HA A 7 TYR HBx 1.0 1.8 4.59 267 193 A 7 TYR HBx A 17 SER HB3 1.0 1.8 5.66 268 193 A 7 TYR HBx A 17 SER HB2 1.0 1.8 5.66 269 194 A 15 THR HG2% A 7 TYR HBy 1.0 1.8 5.90 270 195 A 16 TRP H A 7 TYR HBy 1.0 1.8 5.90 271 196 A 41 VAL HG2% A 7 TYR HBy 1.0 1.8 5.90 272 197 A 8 TYR H A 7 TYR HBy 1.0 1.8 4.65 273 198 A 17 SER HA A 7 TYR HBy 1.0 1.8 4.27 274 198 A 17 SER HA A 7 TYR HBx 1.0 1.8 4.27 275 199 A 7 TYR HD% A 9 ARG HA 1.0 1.8 5.71 276 200 A 7 TYR HD% A 9 ARG HBx 1.0 1.8 5.71 277 201 A 7 TYR HD% A 9 ARG HBy 1.0 1.8 5.76 278 202 A 7 TYR HD% A 9 ARG HDx 1.0 1.8 5.38 279 203 A 7 TYR HD% A 9 ARG HDy 1.0 1.8 5.33 280 204 A 7 TYR HD% A 15 THR HA 1.0 1.8 5.03 281 205 A 7 TYR HD% A 15 THR HB 1.0 1.8 4.58 282 206 A 7 TYR HD% A 15 THR HG2% 1.0 1.8 4.09 283 207 A 7 TYR HD% A 17 SER HA 1.0 1.8 4.98 284 208 A 7 TYR HD% A 17 SER HB2 1.0 1.8 5.90 285 208 A 7 TYR HD% A 17 SER HB3 1.0 1.8 5.90 286 209 A 7 TYR HD% A 41 VAL HB 1.0 1.8 5.48 287 210 A 7 TYR HD% A 41 VAL HG2% 1.0 1.8 4.74 288 211 A 7 TYR HD% A 41 VAL HG1% 1.0 1.8 5.05 289 212 A 7 TYR HD% A 42 LYS HA 1.0 1.8 5.69 290 213 A 43 ASP HA A 7 TYR HD% 1.0 1.8 5.90 291 214 A 43 ASP HBx A 7 TYR HD% 1.0 1.8 5.60 292 215 A 7 TYR HE% A 9 ARG HBx 1.0 1.8 5.51 293 216 A 7 TYR HE% A 9 ARG HBy 1.0 1.8 5.83 294 217 A 7 TYR HE% A 9 ARG HDx 1.0 1.8 4.94 295 218 A 7 TYR HE% A 9 ARG HDy 1.0 1.8 4.91 296 219 A 7 TYR HE% A 15 THR HA 1.0 1.8 5.84 297 220 A 7 TYR HE% A 15 THR HB 1.0 1.8 5.21 298 221 A 7 TYR HE% A 15 THR HG2% 1.0 1.8 4.01 299 222 A 7 TYR HE% A 41 VAL HB 1.0 1.8 5.19 300 223 A 7 TYR HE% A 41 VAL HG2% 1.0 1.8 4.32 301 224 A 7 TYR HE% A 41 VAL HG1% 1.0 1.8 4.38 302 225 A 7 TYR HE% A 42 LYS HA 1.0 1.8 5.90 303 226 A 43 ASP HA A 7 TYR HE% 1.0 1.8 4.45 304 227 A 43 ASP HBx A 7 TYR HE% 1.0 1.8 5.07 305 228 A 43 ASP HBy A 7 TYR HE% 1.0 1.8 5.51 306 229 A 43 ASP H A 7 TYR HE% 1.0 1.8 5.77 307 230 A 7 TYR H A 40 LEU HD2% 1.0 1.8 4.80 308 231 A 7 TYR H A 40 LEU HG 1.0 1.8 5.37 309 232 A 7 TYR H A 41 VAL HG2% 1.0 1.8 5.30 310 233 A 7 TYR H A 41 VAL H 1.0 1.8 4.68 311 234 A 7 TYR H A 42 LYS HA 1.0 1.8 4.78 312 235 A 7 TYR H A 42 LYS HD2 1.0 1.8 5.61 313 235 A 42 LYS HD3 A 7 TYR H 1.0 1.8 5.61 314 236 A 7 TYR H A 42 LYS HG2 1.0 1.8 5.46 315 236 A 42 LYS HG3 A 7 TYR H 1.0 1.8 5.46 316 237 A 7 TYR HD% A 7 TYR H 1.0 1.8 4.97 317 238 A 7 TYR H A 8 TYR H 1.0 1.8 5.36 318 239 A 8 TYR HA A 9 ARG HA 1.0 1.8 5.90 319 240 A 8 TYR HA A 9 ARG HBy 1.0 1.8 5.90 320 241 A 8 TYR HA A 15 THR HA 1.0 1.8 5.90 321 242 A 8 TYR HA A 15 THR HB 1.0 1.8 5.90 322 243 A 8 TYR HA A 39 PHE HDx 1.0 1.8 5.90 323 243 A 8 TYR HA A 39 PHE HDy 1.0 1.8 5.90 324 244 A 8 TYR HA A 40 LEU HA 1.0 1.8 4.35 325 245 A 8 TYR HA A 40 LEU HBx 1.0 1.8 5.90 326 246 A 8 TYR HA A 40 LEU HBy 1.0 1.8 5.90 327 247 A 8 TYR HA A 40 LEU HD2% 1.0 1.8 5.05 328 248 A 8 TYR HA A 40 LEU HG 1.0 1.8 5.90 329 249 A 8 TYR HA A 41 VAL HB 1.0 1.8 5.70 330 250 A 8 TYR HA A 41 VAL HG2% 1.0 1.8 4.58 331 251 A 8 TYR HA A 41 VAL HG1% 1.0 1.8 5.90 332 252 A 41 VAL H A 8 TYR HA 1.0 1.8 4.99 333 253 A 8 TYR HA A 8 TYR HD% 1.0 1.8 4.83 334 254 A 8 TYR HA A 8 TYR HE% 1.0 1.8 5.31 335 255 A 9 ARG HA A 8 TYR HBx 1.0 1.8 5.14 336 256 A 8 TYR HBx A 9 ARG H 1.0 1.8 4.97 337 257 A 15 THR HA A 8 TYR HBx 1.0 1.8 5.58 338 258 A 8 TYR HBx A 16 TRP HBx 1.0 1.8 4.59 339 259 A 8 TYR HBx A 16 TRP HZ3 1.0 1.8 5.90 340 260 A 8 TYR HBx A 26 LEU HD2% 1.0 1.8 5.90 341 261 A 40 LEU HA A 8 TYR HBx 1.0 1.8 5.90 342 262 A 40 LEU HG A 8 TYR HBx 1.0 1.8 5.90 343 263 A 9 ARG H A 8 TYR HBy 1.0 1.8 5.52 344 264 A 40 LEU HA A 8 TYR HBy 1.0 1.8 5.52 345 265 A 8 TYR HBy A 40 LEU HD2% 1.0 1.8 5.73 346 266 A 41 VAL HG2% A 8 TYR HBy 1.0 1.8 5.74 347 267 A 8 TYR HD% A 9 ARG H 1.0 1.8 5.90 348 268 A 8 TYR HD% A 18 GLY HAx 1.0 1.8 5.90 349 269 A 8 TYR HD% A 18 GLY HAy 1.0 1.8 5.87 350 270 A 8 TYR HD% A 36 LYS HBy 1.0 1.8 5.81 351 270 A 8 TYR HD% A 36 LYS HBx 1.0 1.8 5.81 352 271 A 8 TYR HD% A 36 LYS HDx 1.0 1.8 5.74 353 271 A 8 TYR HD% A 36 LYS HDy 1.0 1.8 5.74 354 272 A 8 TYR HD% A 36 LYS HGy 1.0 1.8 5.90 355 273 A 8 TYR HD% A 39 PHE HBy 1.0 1.8 5.87 356 274 A 8 TYR HD% A 40 LEU HA 1.0 1.8 5.75 357 275 A 8 TYR HE% A 18 GLY HAx 1.0 1.8 5.62 358 276 A 8 TYR HE% A 18 GLY HAy 1.0 1.8 5.12 359 277 A 8 TYR HE% A 36 LYS HA 1.0 1.8 5.90 360 278 A 8 TYR HE% A 36 LYS HBy 1.0 1.8 5.12 361 278 A 8 TYR HE% A 36 LYS HBx 1.0 1.8 5.12 362 279 A 8 TYR HE% A 36 LYS HDx 1.0 1.8 5.39 363 279 A 8 TYR HE% A 36 LYS HDy 1.0 1.8 5.39 364 280 A 8 TYR HE% A 36 LYS HEy 1.0 1.8 5.83 365 281 A 8 TYR HE% A 36 LYS HGx 1.0 1.8 5.13 366 282 A 8 TYR HE% A 36 LYS HGy 1.0 1.8 5.46 367 283 A 8 TYR HE% A 37 GLU HA 1.0 1.8 4.83 368 284 A 8 TYR HE% A 37 GLU HBx 1.0 1.8 5.90 369 285 A 8 TYR HE% A 37 GLU HBy 1.0 1.8 5.90 370 286 A 8 TYR HE% A 37 GLU HGx 1.0 1.8 5.45 371 287 A 8 TYR HE% A 37 GLU HGy 1.0 1.8 5.90 372 288 A 8 TYR HE% A 40 LEU HA 1.0 1.8 5.90 373 289 A 8 TYR HE% A 40 LEU HBx 1.0 1.8 5.25 374 290 A 8 TYR HE% A 40 LEU HBy 1.0 1.8 5.34 375 291 A 8 TYR HE% A 40 LEU HD1% 1.0 1.8 4.37 376 292 A 8 TYR HE% A 40 LEU HD2% 1.0 1.8 4.85 377 293 A 8 TYR HE% A 40 LEU HD2% 1.0 1.8 5.90 378 293 A 8 TYR HE% A 40 LEU HD1% 1.0 1.8 5.90 379 294 A 8 TYR HE% A 40 LEU HG 1.0 1.8 5.06 380 295 A 8 TYR HE% A 40 LEU H 1.0 1.8 5.90 381 296 A 8 TYR H A 15 THR HA 1.0 1.8 5.90 382 297 A 8 TYR H A 15 THR HB 1.0 1.8 5.50 383 298 A 15 THR HG2% A 8 TYR H 1.0 1.8 5.90 384 299 A 8 TYR H A 16 TRP HBy 1.0 1.8 5.49 385 300 A 16 TRP H A 8 TYR H 1.0 1.8 5.80 386 301 A 17 SER HA A 8 TYR H 1.0 1.8 5.64 387 302 A 9 ARG HA A 9 ARG HDx 1.0 1.8 5.06 388 303 A 9 ARG HA A 9 ARG HDy 1.0 1.8 5.43 389 304 A 9 ARG HA A 14 GLN H 1.0 1.8 5.82 390 305 A 9 ARG HA A 15 THR HA 1.0 1.8 4.32 391 306 A 9 ARG HA A 15 THR HB 1.0 1.8 5.51 392 307 A 15 THR HG2% A 9 ARG HA 1.0 1.8 4.14 393 308 A 9 ARG HA A 15 THR H 1.0 1.8 5.90 394 309 A 16 TRP H A 9 ARG HA 1.0 1.8 5.62 395 310 A 41 VAL HG2% A 9 ARG HA 1.0 1.8 4.73 396 311 A 9 ARG HBx A 9 ARG HDx 1.0 1.8 4.60 397 312 A 9 ARG HBx A 9 ARG HDy 1.0 1.8 4.51 398 313 A 9 ARG HBx A 9 ARG HE 1.0 1.8 5.18 399 314 A 9 ARG HBx A 10 ASN H 1.0 1.8 5.46 400 315 A 9 ARG HBx A 15 THR HA 1.0 1.8 5.90 401 316 A 9 ARG HBx A 15 THR HB 1.0 1.8 5.90 402 317 A 15 THR HG2% A 9 ARG HBx 1.0 1.8 4.49 403 318 A 9 ARG HBx A 41 VAL HB 1.0 1.8 5.15 404 319 A 41 VAL HG2% A 9 ARG HBx 1.0 1.8 4.21 405 320 A 9 ARG HBx A 41 VAL HG1% 1.0 1.8 5.54 406 321 A 9 ARG HBy A 9 ARG HE 1.0 1.8 5.11 407 322 A 9 ARG HBy A 10 ASN H 1.0 1.8 5.77 408 323 A 9 ARG HBy A 15 THR HA 1.0 1.8 5.90 409 324 A 15 THR HG2% A 9 ARG HBy 1.0 1.8 4.84 410 325 A 9 ARG HBy A 41 VAL HB 1.0 1.8 5.84 411 326 A 41 VAL HG2% A 9 ARG HBy 1.0 1.8 4.28 412 327 A 9 ARG HBy A 41 VAL HG1% 1.0 1.8 5.34 413 328 A 9 ARG HDx A 13 GLY HAy 1.0 1.8 5.46 414 329 A 9 ARG HDx A 15 THR HA 1.0 1.8 5.90 415 330 A 15 THR HG2% A 9 ARG HDx 1.0 1.8 4.77 416 331 A 9 ARG HDx A 41 VAL HB 1.0 1.8 5.90 417 332 A 41 VAL HG2% A 9 ARG HDx 1.0 1.8 3.98 418 333 A 9 ARG HDx A 41 VAL HG1% 1.0 1.8 4.94 419 334 A 9 ARG HDy A 13 GLY HAx 1.0 1.8 5.71 420 335 A 9 ARG HDy A 13 GLY HAy 1.0 1.8 5.23 421 336 A 9 ARG HDy A 14 GLN HA 1.0 1.8 5.79 422 337 A 9 ARG HDy A 15 THR HA 1.0 1.8 5.90 423 338 A 9 ARG HDy A 15 THR HB 1.0 1.8 5.90 424 339 A 15 THR HG2% A 9 ARG HDy 1.0 1.8 4.08 425 340 A 41 VAL HG2% A 9 ARG HDy 1.0 1.8 4.87 426 341 A 9 ARG HE A 13 GLY HAy 1.0 1.8 5.90 427 342 A 15 THR HG2% A 9 ARG HE 1.0 1.8 5.81 428 343 A 41 VAL HB A 9 ARG HE 1.0 1.8 5.90 429 344 A 41 VAL HG2% A 9 ARG HE 1.0 1.8 5.16 430 345 A 41 VAL HG1% A 9 ARG HE 1.0 1.8 5.65 431 346 A 10 ASN H A 9 ARG HGx 1.0 1.8 5.26 432 347 A 13 GLY HAx A 9 ARG HGx 1.0 1.8 5.90 433 348 A 13 GLY HAy A 9 ARG HGx 1.0 1.8 5.79 434 349 A 9 ARG HGx A 14 GLN HGy 1.0 1.8 5.90 435 350 A 15 THR HA A 9 ARG HGx 1.0 1.8 5.90 436 351 A 15 THR HB A 9 ARG HGx 1.0 1.8 5.90 437 352 A 41 VAL HG2% A 9 ARG HGx 1.0 1.8 4.91 438 353 A 10 ASN H A 9 ARG HGy 1.0 1.8 5.27 439 354 A 13 GLY HAx A 9 ARG HGy 1.0 1.8 5.66 440 355 A 13 GLY HAy A 9 ARG HGy 1.0 1.8 5.55 441 356 A 15 THR HA A 9 ARG HGy 1.0 1.8 5.90 442 357 A 15 THR HG2% A 9 ARG HGy 1.0 1.8 4.97 443 358 A 41 VAL HG2% A 9 ARG HGy 1.0 1.8 5.02 444 359 A 9 ARG HDx A 9 ARG H 1.0 1.8 5.90 445 360 A 9 ARG H A 39 PHE HBy 1.0 1.8 4.93 446 361 A 40 LEU HA A 9 ARG H 1.0 1.8 5.70 447 362 A 41 VAL HB A 9 ARG H 1.0 1.8 5.90 448 363 A 41 VAL HG2% A 9 ARG H 1.0 1.8 4.93 449 364 A 41 VAL HG1% A 9 ARG H 1.0 1.8 5.90 450 365 A 41 VAL H A 9 ARG H 1.0 1.8 5.45 451 366 A 10 ASN HA A 11 GLU HA 1.0 1.8 5.24 452 367 A 10 ASN HA A 11 GLU HBy 1.0 1.8 5.22 453 367 A 10 ASN HA A 11 GLU HBx 1.0 1.8 5.22 454 368 A 10 ASN HA A 11 GLU HGy 1.0 1.8 5.64 455 369 A 10 ASN HA A 12 GLU H 1.0 1.8 5.42 456 370 A 10 ASN HA A 39 PHE HDx 1.0 1.8 4.56 457 370 A 10 ASN HA A 39 PHE HDy 1.0 1.8 4.56 458 371 A 10 ASN HA A 39 PHE HE% 1.0 1.8 5.55 459 372 A 10 ASN HBx A 11 GLU H 1.0 1.8 4.83 460 373 A 10 ASN HBx A 14 GLN HE22 1.0 1.8 5.90 461 374 A 10 ASN HBx A 25 TRP HZ2 1.0 1.8 5.90 462 375 A 39 PHE HBy A 10 ASN HBx 1.0 1.8 5.90 463 376 A 39 PHE HE% A 10 ASN HBx 1.0 1.8 5.90 464 377 A 11 GLU HA A 10 ASN HBy 1.0 1.8 5.28 465 378 A 10 ASN HBy A 11 GLU HBy 1.0 1.8 5.06 466 378 A 11 GLU HBx A 10 ASN HBy 1.0 1.8 5.06 467 379 A 11 GLU HGy A 10 ASN HBy 1.0 1.8 5.90 468 380 A 11 GLU H A 10 ASN HBy 1.0 1.8 4.46 469 381 A 14 GLN HE22 A 10 ASN HBy 1.0 1.8 5.90 470 382 A 39 PHE HE% A 10 ASN HBy 1.0 1.8 5.90 471 383 A 11 GLU HGy A 10 ASN HD21 1.0 1.8 5.76 472 384 A 14 GLN HA A 10 ASN HD21 1.0 1.8 5.79 473 385 A 10 ASN HD21 A 14 GLN HBy 1.0 1.8 5.90 474 386 A 10 ASN HD21 A 14 GLN HGx 1.0 1.8 5.07 475 387 A 14 GLN HGy A 10 ASN HD21 1.0 1.8 4.52 476 388 A 10 ASN HD22 A 12 GLU HBy 1.0 1.8 5.90 477 389 A 10 ASN HD22 A 12 GLU HG2 1.0 1.8 5.90 478 389 A 10 ASN HD22 A 12 GLU HG3 1.0 1.8 5.90 479 390 A 14 GLN HA A 10 ASN HD22 1.0 1.8 5.90 480 391 A 10 ASN HD22 A 14 GLN HBx 1.0 1.8 5.90 481 392 A 14 GLN HGx A 10 ASN HD22 1.0 1.8 5.29 482 393 A 14 GLN HGy A 10 ASN HD22 1.0 1.8 5.08 483 394 A 15 THR HA A 10 ASN HD22 1.0 1.8 5.90 484 395 A 15 THR HA A 10 ASN H 1.0 1.8 5.23 485 396 A 15 THR HG2% A 10 ASN H 1.0 1.8 5.11 486 397 A 41 VAL HG2% A 10 ASN H 1.0 1.8 5.90 487 398 A 11 GLU HA A 11 GLU HBx 1.0 1.8 3.42 488 399 A 11 GLU HA A 11 GLU HBy 1.0 1.8 3.17 489 400 A 11 GLU HA A 11 GLU HBy 1.0 1.8 3.42 490 400 A 11 GLU HA A 11 GLU HBx 1.0 1.8 3.42 491 401 A 11 GLU HA A 11 GLU HGx 1.0 1.8 4.47 492 402 A 11 GLU HA A 11 GLU HGy 1.0 1.8 4.03 493 403 A 11 GLU HA A 13 GLY H 1.0 1.8 4.91 494 404 A 11 GLU HBx A 11 GLU HGy 1.0 1.8 3.40 495 405 A 11 GLU HGx A 11 GLU HBy 1.0 1.8 3.05 496 406 A 12 GLU HA A 11 GLU HBy 1.0 1.8 4.73 497 406 A 11 GLU HBx A 12 GLU HA 1.0 1.8 4.73 498 407 A 12 GLU H A 11 GLU HBy 1.0 1.8 4.44 499 407 A 11 GLU HBx A 12 GLU H 1.0 1.8 4.44 500 408 A 13 GLY H A 11 GLU HBy 1.0 1.8 5.30 501 408 A 11 GLU HBx A 13 GLY H 1.0 1.8 5.30 502 409 A 11 GLU HGx A 12 GLU HA 1.0 1.8 5.36 503 410 A 12 GLU H A 11 GLU HGx 1.0 1.8 5.00 504 411 A 11 GLU HGx A 13 GLY H 1.0 1.8 5.90 505 412 A 11 GLU HGy A 12 GLU HA 1.0 1.8 5.11 506 413 A 11 GLU HGy A 12 GLU H 1.0 1.8 4.95 507 414 A 11 GLU HGy A 13 GLY H 1.0 1.8 5.90 508 415 A 11 GLU HBx A 11 GLU H 1.0 1.8 3.96 509 416 A 11 GLU H A 11 GLU HBy 1.0 1.8 3.99 510 416 A 11 GLU HBx A 11 GLU H 1.0 1.8 3.99 511 417 A 11 GLU H A 11 GLU HGx 1.0 1.8 4.43 512 418 A 11 GLU HGy A 11 GLU H 1.0 1.8 4.42 513 419 A 11 GLU H A 12 GLU HA 1.0 1.8 5.52 514 420 A 11 GLU H A 12 GLU HG2 1.0 1.8 5.39 515 420 A 11 GLU H A 12 GLU HG3 1.0 1.8 5.39 516 421 A 12 GLU H A 11 GLU H 1.0 1.8 4.49 517 422 A 11 GLU H A 13 GLY H 1.0 1.8 5.88 518 423 A 12 GLU HA A 12 GLU HG2 1.0 1.8 3.25 519 423 A 12 GLU HG3 A 12 GLU HA 1.0 1.8 3.25 520 424 A 12 GLU HBx A 12 GLU HG2 1.0 1.8 3.31 521 424 A 12 GLU HG3 A 12 GLU HBx 1.0 1.8 3.31 522 425 A 13 GLY H A 12 GLU HBx 1.0 1.8 5.31 523 426 A 14 GLN HBx A 12 GLU HBx 1.0 1.8 5.90 524 427 A 12 GLU HBx A 14 GLN HE21 1.0 1.8 5.81 525 428 A 14 GLN HE22 A 12 GLU HBx 1.0 1.8 5.90 526 429 A 14 GLN HGy A 12 GLU HBx 1.0 1.8 5.31 527 430 A 14 GLN H A 12 GLU HBx 1.0 1.8 4.80 528 431 A 13 GLY HAx A 12 GLU HBy 1.0 1.8 5.90 529 432 A 12 GLU HBy A 14 GLN HBx 1.0 1.8 5.90 530 433 A 12 GLU HBy A 14 GLN HE21 1.0 1.8 5.90 531 434 A 14 GLN HE22 A 12 GLU HBy 1.0 1.8 5.90 532 435 A 14 GLN H A 12 GLU HBy 1.0 1.8 4.90 533 436 A 13 GLY H A 12 GLU HG2 1.0 1.8 5.02 534 436 A 12 GLU HG3 A 13 GLY H 1.0 1.8 5.02 535 437 A 14 GLN HE21 A 12 GLU HG2 1.0 1.8 5.25 536 437 A 12 GLU HG3 A 14 GLN HE21 1.0 1.8 5.25 537 438 A 14 GLN HE22 A 12 GLU HG2 1.0 1.8 5.62 538 438 A 14 GLN HE22 A 12 GLU HG3 1.0 1.8 5.62 539 439 A 12 GLU H A 12 GLU HBx 1.0 1.8 4.30 540 440 A 12 GLU H A 12 GLU HBy 1.0 1.8 4.50 541 441 A 12 GLU H A 12 GLU HG2 1.0 1.8 3.96 542 441 A 12 GLU H A 12 GLU HG3 1.0 1.8 3.96 543 442 A 13 GLY HAx A 12 GLU H 1.0 1.8 5.54 544 443 A 13 GLY HAy A 12 GLU H 1.0 1.8 5.88 545 444 A 12 GLU H A 13 GLY H 1.0 1.8 4.27 546 445 A 12 GLU H A 14 GLN HE21 1.0 1.8 5.90 547 446 A 12 GLU H A 14 GLN HE22 1.0 1.8 5.78 548 447 A 14 GLN H A 12 GLU H 1.0 1.8 5.61 549 448 A 13 GLY HAx A 14 GLN HA 1.0 1.8 5.22 550 449 A 13 GLY HAx A 14 GLN HGy 1.0 1.8 5.90 551 450 A 15 THR HG2% A 13 GLY HAx 1.0 1.8 5.66 552 451 A 15 THR HG2% A 13 GLY HAy 1.0 1.8 5.90 553 452 A 14 GLN HA A 14 GLN HGx 1.0 1.8 4.59 554 453 A 14 GLN HA A 14 GLN HGy 1.0 1.8 4.08 555 454 A 15 THR HA A 14 GLN HA 1.0 1.8 5.64 556 455 A 15 THR HG2% A 14 GLN HA 1.0 1.8 5.30 557 456 A 15 THR H A 14 GLN HA 1.0 1.8 3.77 558 457 A 14 GLN HBx A 14 GLN HE21 1.0 1.8 5.80 559 458 A 14 GLN HE22 A 14 GLN HBx 1.0 1.8 5.90 560 459 A 15 THR HG2% A 14 GLN HBx 1.0 1.8 5.90 561 460 A 15 THR H A 14 GLN HBx 1.0 1.8 5.59 562 461 A 14 GLN HBx A 25 TRP HE1 1.0 1.8 5.90 563 462 A 14 GLN HBy A 14 GLN HE21 1.0 1.8 5.90 564 463 A 14 GLN HE22 A 14 GLN HBy 1.0 1.8 5.90 565 464 A 15 THR H A 14 GLN HBy 1.0 1.8 5.16 566 465 A 14 GLN HBy A 25 TRP HD1 1.0 1.8 5.90 567 466 A 14 GLN HBy A 25 TRP HE1 1.0 1.8 5.90 568 467 A 15 THR HG2% A 14 GLN HGx 1.0 1.8 5.90 569 468 A 15 THR H A 14 GLN HGx 1.0 1.8 5.13 570 469 A 14 GLN HGx A 25 TRP HE1 1.0 1.8 5.90 571 470 A 15 THR HG2% A 14 GLN HGy 1.0 1.8 5.90 572 471 A 15 THR H A 14 GLN HGy 1.0 1.8 5.02 573 472 A 14 GLN HGy A 25 TRP HE1 1.0 1.8 5.90 574 473 A 14 GLN H A 14 GLN HE21 1.0 1.8 5.33 575 474 A 14 GLN H A 14 GLN HE22 1.0 1.8 5.90 576 475 A 14 GLN H A 14 GLN HGx 1.0 1.8 4.38 577 476 A 14 GLN H A 14 GLN HGy 1.0 1.8 4.38 578 477 A 14 GLN H A 15 THR H 1.0 1.8 4.96 579 478 A 15 THR HG2% A 15 THR HA 1.0 1.8 4.02 580 479 A 15 THR HA A 16 TRP HA 1.0 1.8 5.90 581 480 A 15 THR HA A 16 TRP HBy 1.0 1.8 5.90 582 481 A 41 VAL HG2% A 15 THR HA 1.0 1.8 5.90 583 482 A 16 TRP H A 15 THR HB 1.0 1.8 4.63 584 483 A 15 THR HG2% A 16 TRP HA 1.0 1.8 5.90 585 484 A 16 TRP H A 15 THR HG2% 1.0 1.8 4.72 586 485 A 15 THR HG2% A 41 VAL HG2% 1.0 1.8 5.48 587 486 A 15 THR HG2% A 41 VAL HG1% 1.0 1.8 5.07 588 487 A 15 THR HG2% A 15 THR H 1.0 1.8 4.62 589 488 A 16 TRP HA A 16 TRP HD1 1.0 1.8 4.68 590 489 A 16 TRP HA A 16 TRP HE3 1.0 1.8 5.90 591 490 A 17 SER HA A 16 TRP HA 1.0 1.8 5.61 592 491 A 16 TRP HA A 17 SER HB2 1.0 1.8 5.50 593 491 A 17 SER HB3 A 16 TRP HA 1.0 1.8 5.50 594 492 A 16 TRP HA A 23 PRO HGy 1.0 1.8 5.90 595 493 A 25 TRP HE1 A 16 TRP HA 1.0 1.8 5.90 596 494 A 16 TRP HBx A 17 SER H 1.0 1.8 5.79 597 495 A 16 TRP HBx A 23 PRO HGx 1.0 1.8 5.90 598 496 A 16 TRP HBx A 23 PRO HGy 1.0 1.8 5.90 599 497 A 16 TRP HBx A 25 TRP HZ2 1.0 1.8 5.90 600 498 A 16 TRP HBy A 17 SER H 1.0 1.8 5.84 601 499 A 16 TRP HBy A 23 PRO HDx 1.0 1.8 5.90 602 500 A 16 TRP HBy A 23 PRO HGx 1.0 1.8 5.90 603 501 A 16 TRP HBy A 23 PRO HGy 1.0 1.8 5.51 604 502 A 16 TRP HBy A 25 TRP HZ2 1.0 1.8 5.90 605 503 A 17 SER HA A 16 TRP HD1 1.0 1.8 5.90 606 504 A 16 TRP HD1 A 17 SER HB2 1.0 1.8 5.90 607 504 A 17 SER HB3 A 16 TRP HD1 1.0 1.8 5.90 608 505 A 16 TRP HD1 A 17 SER H 1.0 1.8 5.33 609 506 A 16 TRP HE1 A 19 VAL HG2% 1.0 1.8 5.90 610 507 A 16 TRP HE1 A 19 VAL HG1% 1.0 1.8 5.90 611 508 A 16 TRP HE1 A 19 VAL H 1.0 1.8 5.56 612 509 A 16 TRP HE3 A 23 PRO HGx 1.0 1.8 5.90 613 510 A 16 TRP HE3 A 23 PRO HGy 1.0 1.8 5.90 614 511 A 16 TRP HE3 A 26 LEU HD1% 1.0 1.8 4.92 615 512 A 26 LEU HD2% A 16 TRP HE3 1.0 1.8 5.12 616 513 A 16 TRP HE3 A 36 LYS HDx 1.0 1.8 5.90 617 513 A 36 LYS HDy A 16 TRP HE3 1.0 1.8 5.90 618 514 A 36 LYS HEy A 16 TRP HE3 1.0 1.8 5.90 619 515 A 16 TRP HH2 A 22 GLN HGx 1.0 1.8 5.90 620 516 A 16 TRP HH2 A 22 GLN HGy 1.0 1.8 5.90 621 517 A 16 TRP HH2 A 36 LYS HDx 1.0 1.8 5.90 622 517 A 36 LYS HDy A 16 TRP HH2 1.0 1.8 5.90 623 518 A 36 LYS HEy A 16 TRP HH2 1.0 1.8 5.90 624 519 A 17 SER HA A 16 TRP H 1.0 1.8 5.90 625 520 A 16 TRP H A 17 SER H 1.0 1.8 5.83 626 521 A 16 TRP H A 25 TRP HZ2 1.0 1.8 5.28 627 522 A 16 TRP HZ2 A 19 VAL HA 1.0 1.8 5.90 628 523 A 16 TRP HZ2 A 19 VAL HB 1.0 1.8 5.90 629 524 A 19 VAL HG2% A 16 TRP HZ2 1.0 1.8 5.90 630 525 A 19 VAL HG1% A 16 TRP HZ2 1.0 1.8 5.90 631 526 A 16 TRP HZ3 A 26 LEU HD1% 1.0 1.8 4.79 632 527 A 16 TRP HZ3 A 26 LEU HD2% 1.0 1.8 5.90 633 528 A 16 TRP HZ3 A 36 LYS HDx 1.0 1.8 5.14 634 528 A 16 TRP HZ3 A 36 LYS HDy 1.0 1.8 5.14 635 529 A 16 TRP HZ3 A 36 LYS HEy 1.0 1.8 5.01 636 530 A 16 TRP HZ3 A 36 LYS HGx 1.0 1.8 5.90 637 531 A 17 SER HA A 18 GLY HAx 1.0 1.8 5.90 638 532 A 17 SER HA A 18 GLY HAy 1.0 1.8 5.90 639 533 A 18 GLY HAx A 17 SER HB2 1.0 1.8 5.90 640 533 A 17 SER HB3 A 18 GLY HAx 1.0 1.8 5.90 641 534 A 18 GLY HAy A 17 SER HB2 1.0 1.8 5.11 642 534 A 17 SER HB3 A 18 GLY HAy 1.0 1.8 5.11 643 535 A 19 VAL HB A 17 SER HB2 1.0 1.8 5.90 644 535 A 17 SER HB3 A 19 VAL HB 1.0 1.8 5.90 645 536 A 19 VAL HG2% A 17 SER HB2 1.0 1.8 5.17 646 536 A 17 SER HB3 A 19 VAL HG2% 1.0 1.8 5.17 647 537 A 19 VAL HG1% A 17 SER HB2 1.0 1.8 5.90 648 537 A 17 SER HB3 A 19 VAL HG1% 1.0 1.8 5.90 649 538 A 19 VAL H A 17 SER HB2 1.0 1.8 5.90 650 538 A 17 SER HB3 A 19 VAL H 1.0 1.8 5.90 651 539 A 17 SER H A 19 VAL H 1.0 1.8 5.68 652 540 A 18 GLY HAx A 19 VAL HB 1.0 1.8 5.90 653 541 A 18 GLY HAx A 19 VAL HG2% 1.0 1.8 5.90 654 542 A 18 GLY HAy A 19 VAL HB 1.0 1.8 5.90 655 543 A 19 VAL HG2% A 19 VAL HA 1.0 1.8 3.65 656 544 A 19 VAL HG1% A 19 VAL HA 1.0 1.8 4.09 657 545 A 19 VAL HA A 20 GLY HAy 1.0 1.8 4.88 658 546 A 19 VAL HB A 20 GLY HAx 1.0 1.8 5.90 659 547 A 19 VAL HG2% A 20 GLY H 1.0 1.8 5.05 660 548 A 19 VAL HG1% A 20 GLY HAx 1.0 1.8 5.90 661 549 A 19 VAL HG1% A 20 GLY HAy 1.0 1.8 5.90 662 550 A 19 VAL HG1% A 20 GLY H 1.0 1.8 4.91 663 551 A 19 VAL HG2% A 19 VAL H 1.0 1.8 4.32 664 552 A 19 VAL HG1% A 19 VAL H 1.0 1.8 5.26 665 553 A 20 GLY HAy A 21 ARG HA 1.0 1.8 5.46 666 554 A 21 ARG HA A 21 ARG HE 1.0 1.8 5.90 667 555 A 21 ARG HDx A 23 PRO HA 1.0 1.8 5.90 668 556 A 23 PRO HDx A 21 ARG HDx 1.0 1.8 5.90 669 557 A 21 ARG H A 21 ARG HDy 1.0 1.8 5.90 670 558 A 22 GLN HA A 23 PRO HBy 1.0 1.8 5.90 671 559 A 23 PRO HGx A 22 GLN HA 1.0 1.8 5.86 672 560 A 22 GLN HA A 26 LEU HBx 1.0 1.8 5.90 673 561 A 26 LEU HD1% A 22 GLN HA 1.0 1.8 5.72 674 562 A 22 GLN HBx A 22 GLN HE22 1.0 1.8 5.90 675 563 A 23 PRO HDx A 22 GLN HBx 1.0 1.8 5.90 676 564 A 22 GLN HBx A 23 PRO HDy 1.0 1.8 5.90 677 565 A 26 LEU HBx A 22 GLN HBx 1.0 1.8 5.69 678 566 A 26 LEU HD1% A 22 GLN HBx 1.0 1.8 5.90 679 567 A 26 LEU HD1% A 22 GLN HE21 1.0 1.8 5.28 680 568 A 22 GLN HE22 A 30 LEU HD1% 1.0 1.8 5.90 681 569 A 22 GLN HE22 A 30 LEU HD2% 1.0 1.8 5.10 682 570 A 26 LEU HD1% A 22 GLN HGx 1.0 1.8 5.90 683 571 A 22 GLN HGx A 27 LYS HA 1.0 1.8 4.54 684 572 A 26 LEU HD1% A 22 GLN HGy 1.0 1.8 5.90 685 573 A 23 PRO HA A 24 ARG HA 1.0 1.8 5.67 686 574 A 23 PRO HA A 24 ARG HBx 1.0 1.8 5.90 687 575 A 23 PRO HA A 24 ARG HBy 1.0 1.8 5.90 688 575 A 23 PRO HA A 24 ARG HBx 1.0 1.8 5.90 689 576 A 23 PRO HA A 25 TRP H 1.0 1.8 5.90 690 577 A 23 PRO HBx A 24 ARG HBy 1.0 1.8 5.90 691 577 A 24 ARG HBx A 23 PRO HBx 1.0 1.8 5.90 692 578 A 25 TRP HD1 A 23 PRO HBx 1.0 1.8 5.63 693 579 A 25 TRP HE1 A 23 PRO HBx 1.0 1.8 5.89 694 580 A 25 TRP H A 23 PRO HBx 1.0 1.8 5.53 695 581 A 26 LEU HBx A 23 PRO HBx 1.0 1.8 5.90 696 582 A 23 PRO HBx A 26 LEU H 1.0 1.8 5.90 697 583 A 25 TRP HD1 A 23 PRO HBy 1.0 1.8 5.61 698 584 A 25 TRP HE1 A 23 PRO HBy 1.0 1.8 5.90 699 585 A 23 PRO HBy A 25 TRP H 1.0 1.8 5.90 700 586 A 23 PRO HBy A 26 LEU HBx 1.0 1.8 5.90 701 587 A 23 PRO HBy A 26 LEU H 1.0 1.8 5.90 702 588 A 25 TRP HZ2 A 23 PRO HDx 1.0 1.8 5.90 703 589 A 23 PRO HDx A 26 LEU HBx 1.0 1.8 5.90 704 590 A 23 PRO HDx A 26 LEU HD1% 1.0 1.8 5.90 705 591 A 26 LEU HBx A 23 PRO HDy 1.0 1.8 5.90 706 592 A 23 PRO HDy A 26 LEU HBy 1.0 1.8 5.90 707 593 A 26 LEU HD1% A 23 PRO HDy 1.0 1.8 5.47 708 594 A 23 PRO HGx A 24 ARG H 1.0 1.8 5.90 709 595 A 25 TRP HE1 A 23 PRO HGx 1.0 1.8 5.90 710 596 A 25 TRP HZ2 A 23 PRO HGx 1.0 1.8 5.90 711 597 A 23 PRO HGx A 26 LEU HBx 1.0 1.8 5.90 712 598 A 23 PRO HGx A 26 LEU HD1% 1.0 1.8 5.90 713 599 A 23 PRO HGx A 26 LEU HG 1.0 1.8 5.90 714 600 A 23 PRO HGx A 26 LEU H 1.0 1.8 5.90 715 601 A 25 TRP HE1 A 23 PRO HGy 1.0 1.8 5.90 716 602 A 25 TRP HZ2 A 23 PRO HGy 1.0 1.8 5.90 717 603 A 23 PRO HGy A 26 LEU HBx 1.0 1.8 5.90 718 604 A 23 PRO HGy A 26 LEU HBy 1.0 1.8 5.90 719 605 A 23 PRO HGy A 26 LEU HD1% 1.0 1.8 5.90 720 606 A 23 PRO HGy A 26 LEU H 1.0 1.8 5.90 721 607 A 24 ARG HA A 24 ARG HD2 1.0 1.8 3.86 722 607 A 24 ARG HA A 24 ARG HD3 1.0 1.8 3.86 723 608 A 24 ARG HA A 24 ARG HGx 1.0 1.8 4.46 724 609 A 24 ARG HA A 25 TRP HA 1.0 1.8 5.77 725 610 A 24 ARG HA A 26 LEU H 1.0 1.8 5.76 726 611 A 24 ARG HA A 27 LYS HDx 1.0 1.8 4.81 727 612 A 24 ARG HA A 27 LYS HDy 1.0 1.8 4.56 728 613 A 24 ARG HA A 27 LYS HE2 1.0 1.8 3.92 729 613 A 24 ARG HA A 27 LYS HE3 1.0 1.8 3.92 730 614 A 24 ARG HA A 28 GLU HGx 1.0 1.8 5.45 731 615 A 24 ARG HA A 28 GLU HGy 1.0 1.8 5.40 732 616 A 24 ARG HD3 A 24 ARG HBy 1.0 1.8 3.23 733 616 A 24 ARG HBy A 24 ARG HD2 1.0 1.8 3.23 734 617 A 24 ARG HE A 24 ARG HBy 1.0 1.8 5.52 735 618 A 25 TRP H A 24 ARG HBy 1.0 1.8 4.56 736 619 A 27 LYS HE3 A 24 ARG HBy 1.0 1.8 4.05 737 619 A 24 ARG HBy A 27 LYS HE2 1.0 1.8 4.05 738 620 A 24 ARG HBx A 24 ARG HD2 1.0 1.8 3.46 739 620 A 24 ARG HBy A 24 ARG HD2 1.0 1.8 3.46 740 620 A 24 ARG HD3 A 24 ARG HBy 1.0 1.8 3.46 741 620 A 24 ARG HBx A 24 ARG HD3 1.0 1.8 3.46 742 621 A 25 TRP H A 24 ARG HBy 1.0 1.8 5.12 743 621 A 24 ARG HBx A 25 TRP H 1.0 1.8 5.12 744 622 A 24 ARG HBy A 27 LYS HE2 1.0 1.8 5.90 745 622 A 24 ARG HBx A 27 LYS HE2 1.0 1.8 5.90 746 622 A 27 LYS HE3 A 24 ARG HBy 1.0 1.8 5.90 747 622 A 24 ARG HBx A 27 LYS HE3 1.0 1.8 5.90 748 623 A 25 TRP HA A 24 ARG HD2 1.0 1.8 4.11 749 623 A 24 ARG HD3 A 25 TRP HA 1.0 1.8 4.11 750 624 A 25 TRP H A 24 ARG HD2 1.0 1.8 5.09 751 624 A 25 TRP H A 24 ARG HD3 1.0 1.8 5.09 752 625 A 24 ARG HD2 A 27 LYS HB2 1.0 1.8 5.90 753 625 A 24 ARG HD3 A 27 LYS HB2 1.0 1.8 5.90 754 625 A 27 LYS HB3 A 24 ARG HD2 1.0 1.8 5.90 755 625 A 24 ARG HD3 A 27 LYS HB3 1.0 1.8 5.90 756 626 A 24 ARG HD2 A 27 LYS HDx 1.0 1.8 5.90 757 626 A 24 ARG HD3 A 27 LYS HDx 1.0 1.8 5.90 758 627 A 24 ARG HD3 A 27 LYS HDy 1.0 1.8 5.90 759 627 A 27 LYS HDy A 24 ARG HD2 1.0 1.8 5.90 760 628 A 24 ARG HD3 A 27 LYS HE2 1.0 1.8 4.92 761 628 A 24 ARG HD2 A 27 LYS HE2 1.0 1.8 4.92 762 628 A 27 LYS HE3 A 24 ARG HD2 1.0 1.8 4.92 763 628 A 24 ARG HD3 A 27 LYS HE3 1.0 1.8 4.92 764 629 A 27 LYS HGy A 24 ARG HD2 1.0 1.8 5.90 765 629 A 24 ARG HD3 A 27 LYS HGy 1.0 1.8 5.90 766 630 A 28 GLU HA A 24 ARG HD2 1.0 1.8 5.90 767 630 A 24 ARG HD3 A 28 GLU HA 1.0 1.8 5.90 768 631 A 24 ARG HD2 A 28 GLU HB2 1.0 1.8 5.90 769 631 A 24 ARG HD3 A 28 GLU HB2 1.0 1.8 5.90 770 631 A 28 GLU HB3 A 24 ARG HD2 1.0 1.8 5.90 771 631 A 24 ARG HD3 A 28 GLU HB3 1.0 1.8 5.90 772 632 A 28 GLU HGx A 24 ARG HD2 1.0 1.8 4.54 773 632 A 24 ARG HD3 A 28 GLU HGx 1.0 1.8 4.54 774 633 A 28 GLU HGy A 24 ARG HD2 1.0 1.8 4.63 775 633 A 24 ARG HD3 A 28 GLU HGy 1.0 1.8 4.63 776 634 A 28 GLU H A 24 ARG HD2 1.0 1.8 5.48 777 634 A 24 ARG HD3 A 28 GLU H 1.0 1.8 5.48 778 635 A 24 ARG HD3 A 31 LEU HD2% 1.0 1.8 5.90 779 635 A 24 ARG HD2 A 31 LEU HD2% 1.0 1.8 5.90 780 636 A 25 TRP HA A 24 ARG HE 1.0 1.8 5.90 781 637 A 24 ARG HGx A 24 ARG HD2 1.0 1.8 3.36 782 637 A 24 ARG HD3 A 24 ARG HGx 1.0 1.8 3.36 783 638 A 24 ARG HGx A 25 TRP HA 1.0 1.8 5.71 784 639 A 25 TRP H A 24 ARG HGx 1.0 1.8 5.54 785 640 A 24 ARG HGx A 27 LYS HE2 1.0 1.8 5.90 786 640 A 24 ARG HGx A 27 LYS HE3 1.0 1.8 5.90 787 641 A 24 ARG HGx A 28 GLU HGy 1.0 1.8 4.86 788 642 A 24 ARG HGx A 28 GLU H 1.0 1.8 5.90 789 643 A 25 TRP H A 24 ARG HGy 1.0 1.8 5.60 790 644 A 24 ARG H A 24 ARG HBy 1.0 1.8 4.30 791 645 A 24 ARG H A 24 ARG HBy 1.0 1.8 4.50 792 645 A 24 ARG HBx A 24 ARG H 1.0 1.8 4.50 793 646 A 24 ARG H A 24 ARG HGx 1.0 1.8 5.03 794 647 A 24 ARG H A 24 ARG HGy 1.0 1.8 5.01 795 648 A 25 TRP H A 24 ARG H 1.0 1.8 4.88 796 649 A 25 TRP HD1 A 25 TRP HA 1.0 1.8 5.62 797 650 A 25 TRP HA A 25 TRP HE3 1.0 1.8 5.29 798 651 A 25 TRP HA A 26 LEU HA 1.0 1.8 5.70 799 652 A 25 TRP HA A 28 GLU HB2 1.0 1.8 4.51 800 652 A 25 TRP HA A 28 GLU HB3 1.0 1.8 4.51 801 653 A 25 TRP HA A 28 GLU HGx 1.0 1.8 5.90 802 654 A 25 TRP HA A 28 GLU HGy 1.0 1.8 5.90 803 655 A 25 TRP HA A 28 GLU H 1.0 1.8 5.67 804 656 A 26 LEU HA A 25 TRP HBy 1.0 1.8 5.90 805 657 A 25 TRP HE3 A 26 LEU HA 1.0 1.8 5.09 806 658 A 26 LEU HBx A 25 TRP HE3 1.0 1.8 5.90 807 659 A 26 LEU HBy A 25 TRP HE3 1.0 1.8 5.90 808 660 A 25 TRP HE3 A 29 ALA HB% 1.0 1.8 5.62 809 661 A 25 TRP HD1 A 25 TRP H 1.0 1.8 4.74 810 662 A 25 TRP H A 25 TRP HE3 1.0 1.8 5.79 811 663 A 25 TRP H A 26 LEU H 1.0 1.8 4.88 812 664 A 25 TRP H A 27 LYS H 1.0 1.8 5.65 813 665 A 25 TRP HZ2 A 26 LEU HA 1.0 1.8 5.90 814 666 A 26 LEU HD2% A 25 TRP HZ2 1.0 1.8 5.73 815 667 A 26 LEU HA A 25 TRP HZ3 1.0 1.8 5.76 816 668 A 26 LEU HD1% A 25 TRP HZ3 1.0 1.8 5.90 817 669 A 26 LEU HD2% A 25 TRP HZ3 1.0 1.8 4.58 818 670 A 29 ALA HB% A 25 TRP HZ3 1.0 1.8 5.90 819 671 A 26 LEU HD1% A 26 LEU HA 1.0 1.8 4.78 820 672 A 26 LEU HD2% A 26 LEU HA 1.0 1.8 3.95 821 673 A 27 LYS HA A 26 LEU HA 1.0 1.8 5.90 822 674 A 26 LEU HA A 27 LYS HB2 1.0 1.8 5.90 823 674 A 27 LYS HB3 A 26 LEU HA 1.0 1.8 5.90 824 675 A 26 LEU HA A 28 GLU HB2 1.0 1.8 5.86 825 675 A 28 GLU HB3 A 26 LEU HA 1.0 1.8 5.86 826 676 A 28 GLU H A 26 LEU HA 1.0 1.8 5.90 827 677 A 26 LEU HA A 29 ALA HB% 1.0 1.8 4.59 828 678 A 26 LEU HA A 29 ALA H 1.0 1.8 4.92 829 679 A 26 LEU HA A 30 LEU HBx 1.0 1.8 5.90 830 680 A 26 LEU HA A 30 LEU H 1.0 1.8 5.90 831 681 A 26 LEU HA A 39 PHE HDx 1.0 1.8 5.90 832 681 A 26 LEU HA A 39 PHE HDy 1.0 1.8 5.90 833 682 A 26 LEU HD1% A 26 LEU HBx 1.0 1.8 4.50 834 683 A 26 LEU HBx A 27 LYS HA 1.0 1.8 5.90 835 684 A 26 LEU HBx A 27 LYS H 1.0 1.8 5.17 836 685 A 26 LEU HBx A 29 ALA HB% 1.0 1.8 5.90 837 686 A 26 LEU HBy A 27 LYS H 1.0 1.8 5.82 838 687 A 26 LEU HD1% A 27 LYS HA 1.0 1.8 5.90 839 688 A 26 LEU HD1% A 27 LYS HB2 1.0 1.8 5.90 840 688 A 26 LEU HD1% A 27 LYS HB3 1.0 1.8 5.90 841 689 A 26 LEU HD1% A 27 LYS HGx 1.0 1.8 5.90 842 690 A 26 LEU HD1% A 27 LYS HGy 1.0 1.8 5.90 843 691 A 26 LEU HD1% A 27 LYS H 1.0 1.8 5.90 844 692 A 26 LEU HD1% A 28 GLU H 1.0 1.8 5.90 845 693 A 26 LEU HD1% A 29 ALA HB% 1.0 1.8 5.90 846 694 A 26 LEU HD1% A 30 LEU HD1% 1.0 1.8 5.31 847 695 A 26 LEU HD1% A 30 LEU HD2% 1.0 1.8 5.02 848 696 A 26 LEU HD1% A 30 LEU HG 1.0 1.8 5.90 849 697 A 36 LYS HA A 26 LEU HD1% 1.0 1.8 5.90 850 698 A 26 LEU HD1% A 36 LYS HBy 1.0 1.8 4.90 851 698 A 36 LYS HBx A 26 LEU HD1% 1.0 1.8 4.90 852 699 A 26 LEU HD1% A 36 LYS HDx 1.0 1.8 5.45 853 699 A 36 LYS HDy A 26 LEU HD1% 1.0 1.8 5.45 854 700 A 26 LEU HD1% A 36 LYS HEx 1.0 1.8 5.08 855 701 A 36 LYS HEy A 26 LEU HD1% 1.0 1.8 5.50 856 702 A 36 LYS HGx A 26 LEU HD1% 1.0 1.8 5.90 857 703 A 36 LYS HGy A 26 LEU HD1% 1.0 1.8 5.90 858 704 A 26 LEU HD2% A 27 LYS HA 1.0 1.8 5.80 859 705 A 26 LEU HD2% A 28 GLU H 1.0 1.8 5.90 860 706 A 26 LEU HD2% A 29 ALA HA 1.0 1.8 5.90 861 707 A 26 LEU HD2% A 29 ALA HB% 1.0 1.8 4.54 862 708 A 26 LEU HD2% A 29 ALA H 1.0 1.8 5.90 863 709 A 26 LEU HD2% A 30 LEU HA 1.0 1.8 5.90 864 710 A 26 LEU HD2% A 30 LEU HBx 1.0 1.8 5.90 865 711 A 26 LEU HD2% A 30 LEU HG 1.0 1.8 5.46 866 712 A 26 LEU HD2% A 30 LEU H 1.0 1.8 5.90 867 713 A 26 LEU HD2% A 36 LYS HA 1.0 1.8 4.80 868 714 A 26 LEU HD2% A 36 LYS HBy 1.0 1.8 5.44 869 714 A 26 LEU HD2% A 36 LYS HBx 1.0 1.8 5.44 870 715 A 26 LEU HD2% A 36 LYS HDx 1.0 1.8 5.90 871 715 A 26 LEU HD2% A 36 LYS HDy 1.0 1.8 5.90 872 716 A 26 LEU HD2% A 36 LYS HEx 1.0 1.8 5.90 873 717 A 26 LEU HD2% A 36 LYS HEy 1.0 1.8 5.90 874 718 A 26 LEU HD2% A 36 LYS HGx 1.0 1.8 5.80 875 719 A 26 LEU HD2% A 36 LYS HGy 1.0 1.8 5.90 876 720 A 26 LEU HD2% A 36 LYS H 1.0 1.8 5.56 877 721 A 26 LEU HD2% A 39 PHE HDx 1.0 1.8 4.42 878 721 A 26 LEU HD2% A 39 PHE HDy 1.0 1.8 4.42 879 722 A 26 LEU HD2% A 39 PHE HE% 1.0 1.8 4.67 880 723 A 26 LEU HG A 27 LYS H 1.0 1.8 5.46 881 724 A 36 LYS HA A 26 LEU HG 1.0 1.8 5.90 882 725 A 26 LEU HG A 36 LYS HBy 1.0 1.8 5.76 883 725 A 36 LYS HBx A 26 LEU HG 1.0 1.8 5.76 884 726 A 26 LEU HG A 36 LYS HEx 1.0 1.8 5.90 885 727 A 36 LYS HEy A 26 LEU HG 1.0 1.8 5.90 886 728 A 26 LEU HD1% A 26 LEU H 1.0 1.8 5.32 887 729 A 26 LEU HD2% A 26 LEU H 1.0 1.8 5.12 888 730 A 26 LEU H A 26 LEU HG 1.0 1.8 5.90 889 731 A 26 LEU H A 27 LYS HB2 1.0 1.8 5.46 890 731 A 26 LEU H A 27 LYS HB3 1.0 1.8 5.46 891 732 A 26 LEU H A 27 LYS HE2 1.0 1.8 5.90 892 732 A 26 LEU H A 27 LYS HE3 1.0 1.8 5.90 893 733 A 26 LEU H A 27 LYS H 1.0 1.8 4.36 894 734 A 26 LEU H A 28 GLU HB2 1.0 1.8 5.90 895 734 A 26 LEU H A 28 GLU HB3 1.0 1.8 5.90 896 735 A 26 LEU H A 28 GLU HGy 1.0 1.8 5.90 897 736 A 26 LEU H A 28 GLU H 1.0 1.8 5.78 898 737 A 26 LEU H A 29 ALA HB% 1.0 1.8 5.90 899 738 A 27 LYS HA A 27 LYS HGx 1.0 1.8 4.10 900 739 A 27 LYS HA A 27 LYS HGy 1.0 1.8 4.36 901 740 A 27 LYS HA A 29 ALA HB% 1.0 1.8 5.90 902 741 A 27 LYS HA A 30 LEU HA 1.0 1.8 5.90 903 742 A 27 LYS HA A 30 LEU HBx 1.0 1.8 5.79 904 743 A 27 LYS HA A 30 LEU HBy 1.0 1.8 5.63 905 744 A 30 LEU HD2% A 27 LYS HA 1.0 1.8 4.68 906 745 A 27 LYS HA A 30 LEU HG 1.0 1.8 5.70 907 746 A 27 LYS HA A 30 LEU H 1.0 1.8 5.35 908 747 A 27 LYS HA A 31 LEU HD2% 1.0 1.8 5.90 909 748 A 27 LYS HB3 A 27 LYS HE2 1.0 1.8 4.53 910 748 A 27 LYS HB2 A 27 LYS HE2 1.0 1.8 4.53 911 748 A 27 LYS HE3 A 27 LYS HB2 1.0 1.8 4.53 912 748 A 27 LYS HE3 A 27 LYS HB3 1.0 1.8 4.53 913 749 A 28 GLU HGx A 27 LYS HB2 1.0 1.8 5.57 914 749 A 28 GLU HGx A 27 LYS HB3 1.0 1.8 5.57 915 750 A 28 GLU HGy A 27 LYS HB2 1.0 1.8 5.51 916 750 A 28 GLU HGy A 27 LYS HB3 1.0 1.8 5.51 917 751 A 28 GLU H A 27 LYS HB2 1.0 1.8 4.13 918 751 A 27 LYS HB3 A 28 GLU H 1.0 1.8 4.13 919 752 A 30 LEU HD2% A 27 LYS HB2 1.0 1.8 5.88 920 752 A 30 LEU HD2% A 27 LYS HB3 1.0 1.8 5.88 921 753 A 30 LEU H A 27 LYS HB2 1.0 1.8 5.90 922 753 A 27 LYS HB3 A 30 LEU H 1.0 1.8 5.90 923 754 A 28 GLU HGx A 27 LYS HDx 1.0 1.8 5.90 924 755 A 28 GLU HGy A 27 LYS HDx 1.0 1.8 5.90 925 756 A 28 GLU H A 27 LYS HDx 1.0 1.8 5.90 926 757 A 30 LEU HD2% A 27 LYS HDx 1.0 1.8 5.90 927 758 A 27 LYS HDx A 31 LEU HD2% 1.0 1.8 5.55 928 759 A 27 LYS HE3 A 27 LYS HDy 1.0 1.8 3.12 929 759 A 27 LYS HDy A 27 LYS HE2 1.0 1.8 3.12 930 760 A 28 GLU HGy A 27 LYS HDy 1.0 1.8 5.90 931 761 A 28 GLU H A 27 LYS HDy 1.0 1.8 5.90 932 762 A 31 LEU HD1% A 27 LYS HDy 1.0 1.8 5.90 933 762 A 27 LYS HDy A 31 LEU HD2% 1.0 1.8 5.90 934 763 A 28 GLU HA A 27 LYS HE2 1.0 1.8 5.41 935 763 A 27 LYS HE3 A 28 GLU HA 1.0 1.8 5.41 936 764 A 27 LYS HE3 A 28 GLU HB2 1.0 1.8 5.90 937 764 A 28 GLU HB3 A 27 LYS HE2 1.0 1.8 5.90 938 764 A 27 LYS HE3 A 28 GLU HB3 1.0 1.8 5.90 939 764 A 27 LYS HE2 A 28 GLU HB2 1.0 1.8 5.90 940 765 A 28 GLU HGx A 27 LYS HE2 1.0 1.8 5.90 941 765 A 27 LYS HE3 A 28 GLU HGx 1.0 1.8 5.90 942 766 A 28 GLU HGy A 27 LYS HE2 1.0 1.8 4.69 943 766 A 27 LYS HE3 A 28 GLU HGy 1.0 1.8 4.69 944 767 A 28 GLU H A 27 LYS HE2 1.0 1.8 5.47 945 767 A 27 LYS HE3 A 28 GLU H 1.0 1.8 5.47 946 768 A 30 LEU HD2% A 27 LYS HE2 1.0 1.8 5.90 947 768 A 30 LEU HD2% A 27 LYS HE3 1.0 1.8 5.90 948 769 A 27 LYS HE3 A 31 LEU HD2% 1.0 1.8 4.02 949 769 A 27 LYS HE2 A 31 LEU HD2% 1.0 1.8 4.02 950 770 A 27 LYS HE3 A 31 LEU HD2% 1.0 1.8 5.90 951 770 A 27 LYS HE2 A 31 LEU HD2% 1.0 1.8 5.90 952 770 A 31 LEU HD1% A 27 LYS HE2 1.0 1.8 5.90 953 770 A 27 LYS HE3 A 31 LEU HD1% 1.0 1.8 5.90 954 771 A 31 LEU HG A 27 LYS HE2 1.0 1.8 5.90 955 771 A 27 LYS HE3 A 31 LEU HG 1.0 1.8 5.90 956 772 A 31 LEU H A 27 LYS HE2 1.0 1.8 5.90 957 772 A 27 LYS HE3 A 31 LEU H 1.0 1.8 5.90 958 773 A 27 LYS HGx A 27 LYS HE2 1.0 1.8 3.89 959 773 A 27 LYS HE3 A 27 LYS HGx 1.0 1.8 3.89 960 774 A 28 GLU HA A 27 LYS HGx 1.0 1.8 5.90 961 775 A 28 GLU HGx A 27 LYS HGx 1.0 1.8 5.90 962 776 A 28 GLU H A 27 LYS HGx 1.0 1.8 5.19 963 777 A 30 LEU HD2% A 27 LYS HGx 1.0 1.8 5.76 964 778 A 27 LYS HGx A 31 LEU HBx 1.0 1.8 5.36 965 779 A 27 LYS HGx A 31 LEU HBy 1.0 1.8 5.90 966 780 A 27 LYS HGx A 31 LEU HD2% 1.0 1.8 4.91 967 781 A 27 LYS HGx A 31 LEU HG 1.0 1.8 5.90 968 782 A 27 LYS HGx A 31 LEU H 1.0 1.8 5.90 969 783 A 27 LYS HGy A 27 LYS HE2 1.0 1.8 3.49 970 783 A 27 LYS HE3 A 27 LYS HGy 1.0 1.8 3.49 971 784 A 27 LYS HGy A 28 GLU H 1.0 1.8 5.39 972 785 A 30 LEU HD2% A 27 LYS HGy 1.0 1.8 5.90 973 786 A 27 LYS HGy A 31 LEU HD1% 1.0 1.8 4.90 974 787 A 27 LYS HGy A 31 LEU HD2% 1.0 1.8 4.51 975 788 A 27 LYS H A 27 LYS HB2 1.0 1.8 4.04 976 788 A 27 LYS HB3 A 27 LYS H 1.0 1.8 4.04 977 789 A 27 LYS H A 27 LYS HDy 1.0 1.8 5.40 978 790 A 27 LYS H A 27 LYS HE2 1.0 1.8 4.93 979 790 A 27 LYS HE3 A 27 LYS H 1.0 1.8 4.93 980 791 A 27 LYS HGy A 27 LYS H 1.0 1.8 4.71 981 792 A 28 GLU H A 27 LYS H 1.0 1.8 4.65 982 793 A 28 GLU HGx A 28 GLU HA 1.0 1.8 3.74 983 794 A 28 GLU HGy A 28 GLU HA 1.0 1.8 4.17 984 795 A 28 GLU HA A 29 ALA HB% 1.0 1.8 5.90 985 796 A 30 LEU HD2% A 28 GLU HA 1.0 1.8 5.90 986 797 A 28 GLU HA A 31 LEU HBx 1.0 1.8 4.63 987 798 A 28 GLU HA A 31 LEU HD1% 1.0 1.8 4.85 988 799 A 28 GLU HA A 31 LEU HD2% 1.0 1.8 3.77 989 800 A 28 GLU HA A 31 LEU HD2% 1.0 1.8 5.90 990 800 A 28 GLU HA A 31 LEU HD1% 1.0 1.8 5.90 991 801 A 28 GLU HA A 31 LEU HG 1.0 1.8 4.96 992 802 A 28 GLU HA A 31 LEU H 1.0 1.8 4.80 993 803 A 28 GLU HA A 32 ASN HD21 1.0 1.8 5.46 994 804 A 28 GLU HA A 32 ASN HD22 1.0 1.8 5.90 995 805 A 28 GLU HA A 32 ASN H 1.0 1.8 4.88 996 806 A 28 GLU HGy A 28 GLU HB2 1.0 1.8 3.33 997 806 A 28 GLU HGy A 28 GLU HB3 1.0 1.8 3.33 998 807 A 29 ALA HA A 28 GLU HB2 1.0 1.8 4.88 999 807 A 28 GLU HB3 A 29 ALA HA 1.0 1.8 4.88 1000 808 A 29 ALA HB% A 28 GLU HB2 1.0 1.8 4.71 1001 808 A 28 GLU HB3 A 29 ALA HB% 1.0 1.8 4.71 1002 809 A 29 ALA H A 28 GLU HB2 1.0 1.8 4.11 1003 809 A 28 GLU HB3 A 29 ALA H 1.0 1.8 4.11 1004 810 A 30 LEU H A 28 GLU HB2 1.0 1.8 5.54 1005 810 A 28 GLU HB3 A 30 LEU H 1.0 1.8 5.54 1006 811 A 28 GLU HB3 A 31 LEU HD2% 1.0 1.8 5.21 1007 811 A 28 GLU HB2 A 31 LEU HD2% 1.0 1.8 5.21 1008 812 A 32 ASN HD21 A 28 GLU HB2 1.0 1.8 5.66 1009 812 A 28 GLU HB3 A 32 ASN HD21 1.0 1.8 5.66 1010 813 A 32 ASN HD22 A 28 GLU HB2 1.0 1.8 5.90 1011 813 A 28 GLU HB3 A 32 ASN HD22 1.0 1.8 5.90 1012 814 A 28 GLU HGx A 31 LEU HD1% 1.0 1.8 5.82 1013 815 A 28 GLU HGx A 31 LEU HD2% 1.0 1.8 4.83 1014 816 A 28 GLU HGy A 31 LEU HD1% 1.0 1.8 5.90 1015 817 A 28 GLU HGy A 31 LEU HD2% 1.0 1.8 5.13 1016 818 A 28 GLU H A 28 GLU HB2 1.0 1.8 3.88 1017 818 A 28 GLU HB3 A 28 GLU H 1.0 1.8 3.88 1018 819 A 28 GLU HGx A 28 GLU H 1.0 1.8 4.26 1019 820 A 28 GLU HGy A 28 GLU H 1.0 1.8 4.16 1020 821 A 28 GLU H A 29 ALA HB% 1.0 1.8 5.05 1021 822 A 28 GLU H A 29 ALA H 1.0 1.8 4.07 1022 823 A 28 GLU H A 31 LEU HD2% 1.0 1.8 5.90 1023 824 A 28 GLU H A 31 LEU HG 1.0 1.8 5.90 1024 825 A 29 ALA HA A 31 LEU HD1% 1.0 1.8 5.90 1025 826 A 29 ALA HA A 31 LEU H 1.0 1.8 4.93 1026 827 A 29 ALA HA A 32 ASN HA 1.0 1.8 5.76 1027 828 A 29 ALA HA A 32 ASN HBx 1.0 1.8 4.46 1028 829 A 29 ALA HA A 32 ASN HBy 1.0 1.8 4.38 1029 830 A 29 ALA HA A 32 ASN HD21 1.0 1.8 4.46 1030 831 A 29 ALA HA A 32 ASN HD22 1.0 1.8 5.55 1031 832 A 29 ALA HA A 32 ASN H 1.0 1.8 4.44 1032 833 A 29 ALA HA A 34 MET HE% 1.0 1.8 4.12 1033 834 A 29 ALA HA A 34 MET HGx 1.0 1.8 5.79 1034 835 A 39 PHE HE% A 29 ALA HA 1.0 1.8 5.49 1035 836 A 29 ALA HB% A 30 LEU HA 1.0 1.8 4.99 1036 837 A 29 ALA HB% A 30 LEU HBx 1.0 1.8 4.85 1037 838 A 29 ALA HB% A 30 LEU H 1.0 1.8 4.50 1038 839 A 29 ALA HB% A 32 ASN HBy 1.0 1.8 5.31 1039 840 A 29 ALA HB% A 32 ASN H 1.0 1.8 4.95 1040 841 A 29 ALA HB% A 34 MET HGy 1.0 1.8 5.16 1041 842 A 39 PHE HE% A 29 ALA HB% 1.0 1.8 4.01 1042 843 A 29 ALA HB% A 29 ALA H 1.0 1.8 3.67 1043 844 A 29 ALA H A 30 LEU HBx 1.0 1.8 5.90 1044 845 A 30 LEU HD2% A 29 ALA H 1.0 1.8 5.68 1045 846 A 29 ALA H A 30 LEU H 1.0 1.8 4.24 1046 847 A 29 ALA H A 31 LEU HD1% 1.0 1.8 5.90 1047 848 A 29 ALA H A 31 LEU HD2% 1.0 1.8 5.90 1048 849 A 29 ALA H A 31 LEU HG 1.0 1.8 5.90 1049 850 A 29 ALA H A 31 LEU H 1.0 1.8 5.57 1050 851 A 30 LEU HD1% A 30 LEU HA 1.0 1.8 3.50 1051 852 A 30 LEU HD2% A 30 LEU HA 1.0 1.8 4.43 1052 853 A 30 LEU HA A 32 ASN H 1.0 1.8 5.19 1053 854 A 30 LEU HA A 34 MET HA 1.0 1.8 5.90 1054 855 A 30 LEU HA A 34 MET HBy 1.0 1.8 5.90 1055 856 A 30 LEU HA A 34 MET HE% 1.0 1.8 5.90 1056 857 A 30 LEU HA A 34 MET HGx 1.0 1.8 4.87 1057 858 A 30 LEU HA A 34 MET HGy 1.0 1.8 4.78 1058 859 A 30 LEU HA A 35 LYS HA 1.0 1.8 5.59 1059 860 A 30 LEU HA A 35 LYS HBx 1.0 1.8 5.90 1060 861 A 30 LEU HA A 35 LYS H 1.0 1.8 5.66 1061 862 A 30 LEU HD2% A 30 LEU HBx 1.0 1.8 3.77 1062 863 A 30 LEU HBx A 31 LEU HD2% 1.0 1.8 5.90 1063 864 A 30 LEU HBx A 31 LEU H 1.0 1.8 5.38 1064 865 A 30 LEU HBx A 32 ASN H 1.0 1.8 5.90 1065 866 A 36 LYS HEy A 30 LEU HBx 1.0 1.8 5.90 1066 867 A 30 LEU HBy A 31 LEU HA 1.0 1.8 5.90 1067 868 A 30 LEU HBy A 31 LEU H 1.0 1.8 5.47 1068 869 A 30 LEU HBy A 32 ASN H 1.0 1.8 5.90 1069 870 A 36 LYS HA A 30 LEU HBy 1.0 1.8 5.90 1070 871 A 30 LEU HBy A 36 LYS HBy 1.0 1.8 4.86 1071 871 A 36 LYS HBx A 30 LEU HBy 1.0 1.8 4.86 1072 872 A 30 LEU HD1% A 31 LEU HD2% 1.0 1.8 5.90 1073 872 A 30 LEU HD1% A 31 LEU HD1% 1.0 1.8 5.90 1074 873 A 30 LEU HD1% A 31 LEU H 1.0 1.8 5.30 1075 874 A 30 LEU HD1% A 34 MET HBy 1.0 1.8 5.90 1076 875 A 30 LEU HD1% A 34 MET HGx 1.0 1.8 5.90 1077 876 A 30 LEU HD1% A 34 MET HGy 1.0 1.8 5.90 1078 877 A 30 LEU HD1% A 34 MET H 1.0 1.8 5.61 1079 878 A 30 LEU HD1% A 35 LYS HA 1.0 1.8 3.58 1080 879 A 30 LEU HD1% A 35 LYS HBx 1.0 1.8 5.60 1081 880 A 30 LEU HD1% A 35 LYS HBy 1.0 1.8 5.50 1082 881 A 30 LEU HD1% A 35 LYS HD2 1.0 1.8 5.29 1083 881 A 30 LEU HD1% A 35 LYS HD3 1.0 1.8 5.29 1084 882 A 30 LEU HD1% A 35 LYS H 1.0 1.8 5.90 1085 883 A 36 LYS HBx A 30 LEU HD1% 1.0 1.8 5.90 1086 884 A 30 LEU HD1% A 36 LYS HDx 1.0 1.8 5.90 1087 884 A 36 LYS HDy A 30 LEU HD1% 1.0 1.8 5.90 1088 885 A 36 LYS HEy A 30 LEU HD1% 1.0 1.8 5.39 1089 886 A 36 LYS HGy A 30 LEU HD1% 1.0 1.8 5.13 1090 887 A 30 LEU HD1% A 36 LYS H 1.0 1.8 4.51 1091 888 A 30 LEU HD2% A 31 LEU HA 1.0 1.8 4.58 1092 889 A 30 LEU HD2% A 31 LEU HBx 1.0 1.8 5.69 1093 890 A 30 LEU HD2% A 31 LEU HBy 1.0 1.8 5.77 1094 891 A 30 LEU HD2% A 31 LEU HD2% 1.0 1.8 4.50 1095 892 A 30 LEU HD2% A 31 LEU HD2% 1.0 1.8 5.90 1096 892 A 30 LEU HD2% A 31 LEU HD1% 1.0 1.8 5.90 1097 893 A 30 LEU HD2% A 31 LEU HG 1.0 1.8 5.51 1098 894 A 30 LEU HD2% A 31 LEU H 1.0 1.8 4.80 1099 895 A 30 LEU HD2% A 32 ASN H 1.0 1.8 5.82 1100 896 A 36 LYS HEy A 30 LEU HD2% 1.0 1.8 5.90 1101 897 A 30 LEU HG A 31 LEU H 1.0 1.8 5.28 1102 898 A 30 LEU HG A 36 LYS H 1.0 1.8 5.90 1103 899 A 30 LEU HBx A 30 LEU H 1.0 1.8 4.41 1104 900 A 30 LEU H A 30 LEU HBy 1.0 1.8 3.92 1105 901 A 30 LEU HD1% A 30 LEU H 1.0 1.8 4.61 1106 902 A 30 LEU HD2% A 30 LEU H 1.0 1.8 4.14 1107 903 A 30 LEU H A 31 LEU HA 1.0 1.8 5.90 1108 904 A 30 LEU H A 31 LEU HBx 1.0 1.8 5.89 1109 905 A 30 LEU H A 31 LEU HG 1.0 1.8 5.90 1110 906 A 30 LEU H A 31 LEU H 1.0 1.8 4.61 1111 907 A 30 LEU H A 32 ASN HD21 1.0 1.8 5.90 1112 908 A 30 LEU H A 32 ASN H 1.0 1.8 5.84 1113 909 A 31 LEU HD1% A 31 LEU HA 1.0 1.8 3.99 1114 910 A 31 LEU HA A 31 LEU HD2% 1.0 1.8 4.52 1115 911 A 31 LEU HA A 31 LEU HD2% 1.0 1.8 5.90 1116 911 A 31 LEU HD1% A 31 LEU HA 1.0 1.8 5.90 1117 912 A 31 LEU HG A 31 LEU HA 1.0 1.8 4.21 1118 913 A 32 ASN HBy A 31 LEU HA 1.0 1.8 5.90 1119 914 A 31 LEU HA A 33 GLY H 1.0 1.8 4.82 1120 915 A 31 LEU HD1% A 31 LEU HBx 1.0 1.8 3.75 1121 916 A 31 LEU HBx A 31 LEU HD2% 1.0 1.8 3.69 1122 917 A 31 LEU HBx A 32 ASN H 1.0 1.8 4.65 1123 918 A 31 LEU HD1% A 31 LEU HBy 1.0 1.8 3.74 1124 919 A 31 LEU HBy A 32 ASN HA 1.0 1.8 5.90 1125 920 A 31 LEU HBy A 32 ASN H 1.0 1.8 4.76 1126 921 A 31 LEU HD1% A 32 ASN HA 1.0 1.8 5.54 1127 922 A 31 LEU HD1% A 32 ASN HBx 1.0 1.8 5.44 1128 923 A 31 LEU HD1% A 32 ASN HBy 1.0 1.8 5.90 1129 924 A 31 LEU HD1% A 32 ASN HD21 1.0 1.8 5.26 1130 925 A 31 LEU HD1% A 32 ASN HD22 1.0 1.8 5.90 1131 926 A 31 LEU HD1% A 32 ASN H 1.0 1.8 5.23 1132 927 A 31 LEU HD1% A 33 GLY H 1.0 1.8 5.90 1133 928 A 31 LEU HD1% A 34 MET HE% 1.0 1.8 5.90 1134 929 A 32 ASN HA A 31 LEU HD2% 1.0 1.8 5.71 1135 930 A 32 ASN HD22 A 31 LEU HD2% 1.0 1.8 5.90 1136 931 A 32 ASN H A 31 LEU HD2% 1.0 1.8 5.44 1137 932 A 31 LEU HG A 32 ASN HA 1.0 1.8 5.90 1138 933 A 31 LEU HG A 32 ASN HD22 1.0 1.8 5.90 1139 934 A 31 LEU HG A 32 ASN H 1.0 1.8 5.19 1140 935 A 31 LEU H A 31 LEU HBx 1.0 1.8 4.17 1141 936 A 31 LEU H A 31 LEU HBy 1.0 1.8 4.22 1142 937 A 31 LEU HD1% A 31 LEU H 1.0 1.8 4.39 1143 938 A 31 LEU H A 31 LEU HD2% 1.0 1.8 4.39 1144 939 A 31 LEU HG A 31 LEU H 1.0 1.8 4.08 1145 940 A 31 LEU H A 32 ASN HA 1.0 1.8 5.90 1146 941 A 31 LEU H A 32 ASN H 1.0 1.8 4.80 1147 942 A 32 ASN HA A 33 GLY HAx 1.0 1.8 5.18 1148 943 A 32 ASN HA A 33 GLY HAy 1.0 1.8 5.36 1149 944 A 32 ASN HA A 34 MET HE% 1.0 1.8 5.20 1150 945 A 32 ASN HBx A 33 GLY H 1.0 1.8 5.11 1151 946 A 32 ASN HBx A 34 MET H 1.0 1.8 4.74 1152 947 A 32 ASN HBy A 33 GLY HAx 1.0 1.8 5.90 1153 948 A 32 ASN HBy A 33 GLY H 1.0 1.8 4.63 1154 949 A 32 ASN HBy A 34 MET HE% 1.0 1.8 4.97 1155 950 A 32 ASN HBy A 34 MET HGx 1.0 1.8 5.72 1156 951 A 32 ASN HBy A 34 MET HGy 1.0 1.8 5.76 1157 952 A 32 ASN HBy A 34 MET H 1.0 1.8 5.72 1158 953 A 32 ASN HD22 A 34 MET HE% 1.0 1.8 5.90 1159 954 A 32 ASN H A 32 ASN HBx 1.0 1.8 3.83 1160 955 A 32 ASN H A 32 ASN HBy 1.0 1.8 3.84 1161 956 A 32 ASN HD22 A 32 ASN H 1.0 1.8 5.61 1162 957 A 32 ASN H A 33 GLY HAx 1.0 1.8 5.59 1163 958 A 32 ASN H A 33 GLY HAy 1.0 1.8 5.51 1164 959 A 32 ASN H A 33 GLY H 1.0 1.8 4.11 1165 960 A 32 ASN H A 34 MET H 1.0 1.8 4.23 1166 961 A 34 MET HA A 33 GLY HAx 1.0 1.8 5.65 1167 962 A 33 GLY HAx A 34 MET HBx 1.0 1.8 5.90 1168 963 A 34 MET HE% A 33 GLY HAx 1.0 1.8 4.55 1169 964 A 34 MET HGy A 33 GLY HAx 1.0 1.8 5.90 1170 965 A 34 MET HA A 33 GLY HAy 1.0 1.8 5.77 1171 966 A 33 GLY HAy A 34 MET HBx 1.0 1.8 5.83 1172 967 A 34 MET HA A 33 GLY H 1.0 1.8 5.45 1173 968 A 33 GLY H A 34 MET HBx 1.0 1.8 5.30 1174 969 A 34 MET HE% A 34 MET HA 1.0 1.8 5.55 1175 970 A 34 MET HGx A 34 MET HA 1.0 1.8 4.24 1176 971 A 34 MET HGy A 34 MET HA 1.0 1.8 4.28 1177 972 A 34 MET HA A 35 LYS HBx 1.0 1.8 5.71 1178 973 A 34 MET HA A 35 LYS HGx 1.0 1.8 5.43 1179 974 A 34 MET HA A 35 LYS HGy 1.0 1.8 5.90 1180 975 A 34 MET HA A 38 ASP HBx 1.0 1.8 5.90 1181 976 A 34 MET HA A 38 ASP HBy 1.0 1.8 5.00 1182 977 A 34 MET HE% A 34 MET HBx 1.0 1.8 3.64 1183 978 A 35 LYS H A 34 MET HBx 1.0 1.8 5.59 1184 979 A 34 MET HBx A 38 ASP HBx 1.0 1.8 5.56 1185 980 A 34 MET HBx A 38 ASP HBy 1.0 1.8 4.92 1186 981 A 39 PHE HE% A 34 MET HBx 1.0 1.8 5.90 1187 982 A 34 MET HE% A 34 MET HBy 1.0 1.8 4.85 1188 983 A 34 MET HBy A 35 LYS HA 1.0 1.8 5.90 1189 984 A 34 MET HBy A 35 LYS HBx 1.0 1.8 5.42 1190 985 A 34 MET HBy A 35 LYS HGx 1.0 1.8 5.21 1191 986 A 34 MET HBy A 35 LYS HGy 1.0 1.8 5.32 1192 987 A 34 MET HBy A 35 LYS H 1.0 1.8 5.51 1193 988 A 34 MET HBy A 39 PHE HDx 1.0 1.8 5.90 1194 988 A 34 MET HBy A 39 PHE HDy 1.0 1.8 5.90 1195 989 A 39 PHE HE% A 34 MET HBy 1.0 1.8 5.90 1196 990 A 39 PHE HE% A 34 MET HE% 1.0 1.8 4.10 1197 991 A 34 MET HE% A 34 MET HGx 1.0 1.8 4.64 1198 992 A 34 MET HGx A 35 LYS HGx 1.0 1.8 5.90 1199 993 A 34 MET HGx A 35 LYS H 1.0 1.8 4.77 1200 994 A 36 LYS H A 34 MET HGx 1.0 1.8 5.90 1201 995 A 34 MET HGx A 38 ASP HBx 1.0 1.8 5.90 1202 996 A 34 MET HGx A 39 PHE HDx 1.0 1.8 5.19 1203 996 A 34 MET HGx A 39 PHE HDy 1.0 1.8 5.19 1204 997 A 39 PHE HE% A 34 MET HGx 1.0 1.8 5.29 1205 998 A 34 MET HGx A 39 PHE H 1.0 1.8 5.90 1206 999 A 34 MET HE% A 34 MET HGy 1.0 1.8 4.06 1207 1000 A 34 MET HGy A 35 LYS H 1.0 1.8 4.78 1208 1001 A 34 MET HGy A 38 ASP HBx 1.0 1.8 5.90 1209 1002 A 34 MET HGy A 38 ASP HBy 1.0 1.8 5.84 1210 1003 A 34 MET HGy A 39 PHE HDx 1.0 1.8 5.61 1211 1003 A 34 MET HGy A 39 PHE HDy 1.0 1.8 5.61 1212 1004 A 39 PHE HE% A 34 MET HGy 1.0 1.8 5.12 1213 1005 A 34 MET H A 34 MET HBx 1.0 1.8 4.21 1214 1006 A 34 MET HGx A 34 MET H 1.0 1.8 4.37 1215 1007 A 34 MET HGy A 34 MET H 1.0 1.8 4.32 1216 1008 A 35 LYS H A 34 MET H 1.0 1.8 5.05 1217 1009 A 35 LYS HA A 35 LYS HGx 1.0 1.8 4.58 1218 1010 A 35 LYS HA A 35 LYS HGy 1.0 1.8 3.94 1219 1010 A 35 LYS HA A 35 LYS HGx 1.0 1.8 3.94 1220 1011 A 36 LYS HEx A 35 LYS HA 1.0 1.8 5.90 1221 1012 A 36 LYS H A 35 LYS HA 1.0 1.8 3.93 1222 1013 A 35 LYS HA A 37 GLU H 1.0 1.8 5.81 1223 1014 A 35 LYS HBx A 35 LYS HEy 1.0 1.8 5.90 1224 1014 A 35 LYS HBx A 35 LYS HEx 1.0 1.8 5.90 1225 1015 A 36 LYS H A 35 LYS HBx 1.0 1.8 4.26 1226 1016 A 35 LYS HBx A 38 ASP H 1.0 1.8 5.38 1227 1017 A 35 LYS HBy A 35 LYS HD2 1.0 1.8 3.65 1228 1017 A 35 LYS HBy A 35 LYS HD3 1.0 1.8 3.65 1229 1018 A 35 LYS HBy A 35 LYS HEy 1.0 1.8 4.22 1230 1019 A 35 LYS HBy A 35 LYS HEy 1.0 1.8 4.55 1231 1019 A 35 LYS HBy A 35 LYS HEx 1.0 1.8 4.55 1232 1020 A 36 LYS HA A 35 LYS HBy 1.0 1.8 5.90 1233 1021 A 35 LYS HBy A 36 LYS HDx 1.0 1.8 5.90 1234 1021 A 36 LYS HDy A 35 LYS HBy 1.0 1.8 5.90 1235 1022 A 36 LYS HGy A 35 LYS HBy 1.0 1.8 4.13 1236 1023 A 36 LYS H A 35 LYS HBy 1.0 1.8 4.45 1237 1024 A 37 GLU HA A 35 LYS HBy 1.0 1.8 5.90 1238 1025 A 37 GLU HGy A 35 LYS HBy 1.0 1.8 5.34 1239 1026 A 35 LYS HD3 A 35 LYS HEx 1.0 1.8 3.17 1240 1026 A 35 LYS HEx A 35 LYS HD2 1.0 1.8 3.17 1241 1027 A 35 LYS HD2 A 35 LYS HEy 1.0 1.8 3.18 1242 1027 A 35 LYS HD3 A 35 LYS HEy 1.0 1.8 3.18 1243 1028 A 36 LYS H A 35 LYS HD2 1.0 1.8 4.64 1244 1028 A 36 LYS H A 35 LYS HD3 1.0 1.8 4.64 1245 1029 A 37 GLU HA A 35 LYS HD2 1.0 1.8 5.90 1246 1029 A 37 GLU HA A 35 LYS HD3 1.0 1.8 5.90 1247 1030 A 35 LYS HD2 A 37 GLU HBy 1.0 1.8 5.14 1248 1030 A 35 LYS HD3 A 37 GLU HBy 1.0 1.8 5.14 1249 1031 A 37 GLU HGx A 35 LYS HD2 1.0 1.8 5.31 1250 1031 A 37 GLU HGx A 35 LYS HD3 1.0 1.8 5.31 1251 1032 A 37 GLU HGy A 35 LYS HD2 1.0 1.8 4.63 1252 1032 A 37 GLU HGy A 35 LYS HD3 1.0 1.8 4.63 1253 1033 A 37 GLU H A 35 LYS HD2 1.0 1.8 4.71 1254 1033 A 35 LYS HD3 A 37 GLU H 1.0 1.8 4.71 1255 1034 A 38 ASP HA A 35 LYS HD2 1.0 1.8 5.72 1256 1034 A 35 LYS HD3 A 38 ASP HA 1.0 1.8 5.72 1257 1035 A 38 ASP HBy A 35 LYS HD2 1.0 1.8 5.90 1258 1035 A 35 LYS HD3 A 38 ASP HBy 1.0 1.8 5.90 1259 1036 A 38 ASP H A 35 LYS HD2 1.0 1.8 5.36 1260 1036 A 35 LYS HD3 A 38 ASP H 1.0 1.8 5.36 1261 1037 A 37 GLU HGy A 35 LYS HEy 1.0 1.8 5.19 1262 1038 A 35 LYS HEx A 37 GLU HBx 1.0 1.8 5.90 1263 1038 A 37 GLU HBx A 35 LYS HEy 1.0 1.8 5.90 1264 1039 A 35 LYS HEy A 37 GLU HBy 1.0 1.8 5.90 1265 1039 A 35 LYS HEx A 37 GLU HBy 1.0 1.8 5.90 1266 1040 A 37 GLU HGx A 35 LYS HEy 1.0 1.8 5.62 1267 1040 A 37 GLU HGx A 35 LYS HEx 1.0 1.8 5.62 1268 1041 A 37 GLU HGy A 35 LYS HEy 1.0 1.8 5.58 1269 1041 A 37 GLU HGy A 35 LYS HEx 1.0 1.8 5.58 1270 1042 A 37 GLU H A 35 LYS HEy 1.0 1.8 5.45 1271 1042 A 37 GLU H A 35 LYS HEx 1.0 1.8 5.45 1272 1043 A 38 ASP H A 35 LYS HEy 1.0 1.8 5.90 1273 1043 A 35 LYS HEx A 38 ASP H 1.0 1.8 5.90 1274 1044 A 36 LYS H A 35 LYS HGx 1.0 1.8 5.08 1275 1045 A 37 GLU HA A 35 LYS HGx 1.0 1.8 5.90 1276 1046 A 37 GLU HGx A 35 LYS HGx 1.0 1.8 5.90 1277 1047 A 38 ASP HBx A 35 LYS HGx 1.0 1.8 5.65 1278 1048 A 35 LYS HGx A 38 ASP H 1.0 1.8 5.58 1279 1049 A 35 LYS HGy A 37 GLU HBy 1.0 1.8 5.48 1280 1050 A 38 ASP HBx A 35 LYS HGy 1.0 1.8 5.89 1281 1051 A 38 ASP H A 35 LYS HGy 1.0 1.8 5.69 1282 1052 A 35 LYS HD2 A 35 LYS HGy 1.0 1.8 3.26 1283 1052 A 35 LYS HD3 A 35 LYS HGy 1.0 1.8 3.26 1284 1052 A 35 LYS HGx A 35 LYS HD2 1.0 1.8 3.26 1285 1052 A 35 LYS HD3 A 35 LYS HGx 1.0 1.8 3.26 1286 1053 A 35 LYS HGx A 35 LYS HEx 1.0 1.8 4.54 1287 1053 A 35 LYS HEx A 35 LYS HGy 1.0 1.8 4.54 1288 1054 A 35 LYS HGx A 35 LYS HEy 1.0 1.8 3.62 1289 1054 A 35 LYS HEy A 35 LYS HGy 1.0 1.8 3.62 1290 1055 A 38 ASP HBy A 35 LYS HGy 1.0 1.8 5.67 1291 1055 A 38 ASP HBy A 35 LYS HGx 1.0 1.8 5.67 1292 1056 A 39 PHE HE% A 35 LYS HGy 1.0 1.8 5.85 1293 1056 A 39 PHE HE% A 35 LYS HGx 1.0 1.8 5.85 1294 1057 A 35 LYS HBx A 35 LYS H 1.0 1.8 4.25 1295 1058 A 35 LYS H A 35 LYS HD2 1.0 1.8 4.81 1296 1058 A 35 LYS H A 35 LYS HD3 1.0 1.8 4.81 1297 1059 A 35 LYS H A 35 LYS HEy 1.0 1.8 5.72 1298 1059 A 35 LYS H A 35 LYS HEx 1.0 1.8 5.72 1299 1060 A 35 LYS H A 35 LYS HGx 1.0 1.8 4.77 1300 1061 A 35 LYS H A 35 LYS HGy 1.0 1.8 4.93 1301 1062 A 36 LYS H A 35 LYS H 1.0 1.8 5.84 1302 1063 A 35 LYS H A 37 GLU H 1.0 1.8 5.50 1303 1064 A 35 LYS H A 38 ASP HBx 1.0 1.8 5.77 1304 1065 A 35 LYS H A 38 ASP HBy 1.0 1.8 4.39 1305 1066 A 35 LYS H A 38 ASP H 1.0 1.8 5.42 1306 1067 A 36 LYS HA A 38 ASP HBx 1.0 1.8 5.90 1307 1068 A 36 LYS HA A 39 PHE HDx 1.0 1.8 4.90 1308 1068 A 36 LYS HA A 39 PHE HDy 1.0 1.8 4.90 1309 1069 A 37 GLU H A 36 LYS HBy 1.0 1.8 4.29 1310 1070 A 36 LYS HBx A 36 LYS HDx 1.0 1.8 3.94 1311 1070 A 36 LYS HBy A 36 LYS HDx 1.0 1.8 3.94 1312 1070 A 36 LYS HDy A 36 LYS HBy 1.0 1.8 3.94 1313 1070 A 36 LYS HBx A 36 LYS HDy 1.0 1.8 3.94 1314 1071 A 36 LYS HEx A 36 LYS HBy 1.0 1.8 4.69 1315 1071 A 36 LYS HBx A 36 LYS HEx 1.0 1.8 4.69 1316 1072 A 36 LYS HEy A 36 LYS HBy 1.0 1.8 4.38 1317 1072 A 36 LYS HBx A 36 LYS HEy 1.0 1.8 4.38 1318 1073 A 37 GLU HA A 36 LYS HBy 1.0 1.8 5.19 1319 1073 A 36 LYS HBx A 37 GLU HA 1.0 1.8 5.19 1320 1074 A 37 GLU HGy A 36 LYS HBy 1.0 1.8 5.09 1321 1074 A 36 LYS HBx A 37 GLU HGy 1.0 1.8 5.09 1322 1075 A 38 ASP H A 36 LYS HBy 1.0 1.8 5.90 1323 1075 A 36 LYS HBx A 38 ASP H 1.0 1.8 5.90 1324 1076 A 36 LYS HBy A 39 PHE HDx 1.0 1.8 5.63 1325 1076 A 39 PHE HDy A 36 LYS HBy 1.0 1.8 5.63 1326 1076 A 36 LYS HBx A 39 PHE HDx 1.0 1.8 5.63 1327 1076 A 36 LYS HBx A 39 PHE HDy 1.0 1.8 5.63 1328 1077 A 40 LEU HA A 36 LYS HBy 1.0 1.8 5.90 1329 1077 A 40 LEU HA A 36 LYS HBx 1.0 1.8 5.90 1330 1078 A 40 LEU HBx A 36 LYS HBy 1.0 1.8 5.90 1331 1078 A 40 LEU HBx A 36 LYS HBx 1.0 1.8 5.90 1332 1079 A 36 LYS HGx A 36 LYS HEx 1.0 1.8 4.53 1333 1080 A 36 LYS HEy A 36 LYS HGx 1.0 1.8 4.64 1334 1081 A 36 LYS HGx A 37 GLU HA 1.0 1.8 4.85 1335 1082 A 36 LYS HGx A 37 GLU HBx 1.0 1.8 5.81 1336 1083 A 36 LYS HGx A 37 GLU HBy 1.0 1.8 5.90 1337 1084 A 36 LYS HGx A 37 GLU HGx 1.0 1.8 5.25 1338 1085 A 36 LYS HGx A 37 GLU HGy 1.0 1.8 5.71 1339 1086 A 36 LYS HGy A 36 LYS HEx 1.0 1.8 4.61 1340 1087 A 36 LYS HGy A 36 LYS HEy 1.0 1.8 4.51 1341 1088 A 36 LYS HGy A 37 GLU HGy 1.0 1.8 5.12 1342 1089 A 36 LYS HGy A 37 GLU H 1.0 1.8 5.25 1343 1090 A 36 LYS HBx A 36 LYS H 1.0 1.8 4.01 1344 1091 A 36 LYS H A 36 LYS HBy 1.0 1.8 4.12 1345 1091 A 36 LYS HBx A 36 LYS H 1.0 1.8 4.12 1346 1092 A 36 LYS H A 36 LYS HDx 1.0 1.8 5.00 1347 1092 A 36 LYS HDy A 36 LYS H 1.0 1.8 5.00 1348 1093 A 36 LYS HEy A 36 LYS H 1.0 1.8 5.53 1349 1094 A 36 LYS HGx A 36 LYS H 1.0 1.8 5.28 1350 1095 A 36 LYS HGy A 36 LYS H 1.0 1.8 4.65 1351 1096 A 37 GLU HA A 37 GLU HGx 1.0 1.8 3.91 1352 1097 A 37 GLU HA A 37 GLU HGy 1.0 1.8 4.02 1353 1098 A 37 GLU HA A 38 ASP HA 1.0 1.8 5.17 1354 1099 A 40 LEU HA A 37 GLU HA 1.0 1.8 5.13 1355 1100 A 40 LEU HBx A 37 GLU HA 1.0 1.8 4.51 1356 1101 A 40 LEU HBy A 37 GLU HA 1.0 1.8 4.83 1357 1102 A 37 GLU HA A 40 LEU HD1% 1.0 1.8 4.19 1358 1103 A 40 LEU HG A 37 GLU HA 1.0 1.8 4.83 1359 1104 A 37 GLU HA A 40 LEU H 1.0 1.8 4.74 1360 1105 A 38 ASP HA A 37 GLU HBx 1.0 1.8 5.67 1361 1106 A 38 ASP H A 37 GLU HBx 1.0 1.8 5.37 1362 1107 A 40 LEU HBy A 37 GLU HBx 1.0 1.8 5.57 1363 1108 A 40 LEU HD1% A 37 GLU HBx 1.0 1.8 5.21 1364 1109 A 40 LEU H A 37 GLU HBx 1.0 1.8 5.90 1365 1110 A 38 ASP HA A 37 GLU HBy 1.0 1.8 5.56 1366 1111 A 38 ASP H A 37 GLU HBy 1.0 1.8 5.39 1367 1112 A 40 LEU HBx A 37 GLU HBy 1.0 1.8 5.90 1368 1113 A 40 LEU HD1% A 37 GLU HBy 1.0 1.8 5.24 1369 1114 A 40 LEU H A 37 GLU HBy 1.0 1.8 5.90 1370 1115 A 37 GLU HGx A 37 GLU HBy 1.0 1.8 3.34 1371 1115 A 37 GLU HGx A 37 GLU HBx 1.0 1.8 3.34 1372 1116 A 37 GLU HGy A 37 GLU HBy 1.0 1.8 3.34 1373 1116 A 37 GLU HGy A 37 GLU HBx 1.0 1.8 3.34 1374 1117 A 40 LEU HBy A 37 GLU HBy 1.0 1.8 5.90 1375 1117 A 40 LEU HBy A 37 GLU HBx 1.0 1.8 5.90 1376 1118 A 40 LEU HD1% A 37 GLU HBy 1.0 1.8 4.97 1377 1118 A 40 LEU HD1% A 37 GLU HBx 1.0 1.8 4.97 1378 1119 A 37 GLU HGx A 38 ASP H 1.0 1.8 5.65 1379 1120 A 40 LEU HBy A 37 GLU HGx 1.0 1.8 5.90 1380 1121 A 37 GLU HGx A 40 LEU HD1% 1.0 1.8 4.28 1381 1122 A 37 GLU HGx A 40 LEU HD2% 1.0 1.8 5.90 1382 1122 A 37 GLU HGx A 40 LEU HD1% 1.0 1.8 5.90 1383 1123 A 37 GLU HGy A 38 ASP H 1.0 1.8 5.24 1384 1124 A 37 GLU HGy A 40 LEU HD1% 1.0 1.8 4.78 1385 1125 A 37 GLU HGy A 40 LEU HD2% 1.0 1.8 5.90 1386 1125 A 37 GLU HGy A 40 LEU HD1% 1.0 1.8 5.90 1387 1126 A 37 GLU H A 37 GLU HBx 1.0 1.8 4.49 1388 1127 A 37 GLU H A 37 GLU HBy 1.0 1.8 4.44 1389 1128 A 37 GLU HGx A 37 GLU H 1.0 1.8 4.41 1390 1129 A 37 GLU HGy A 37 GLU H 1.0 1.8 4.40 1391 1130 A 37 GLU H A 38 ASP HA 1.0 1.8 5.70 1392 1131 A 38 ASP HBx A 37 GLU H 1.0 1.8 5.90 1393 1132 A 38 ASP HBy A 37 GLU H 1.0 1.8 5.90 1394 1133 A 37 GLU H A 38 ASP H 1.0 1.8 4.48 1395 1134 A 38 ASP HA A 39 PHE HA 1.0 1.8 5.53 1396 1135 A 38 ASP HA A 39 PHE HBx 1.0 1.8 5.90 1397 1136 A 38 ASP HA A 39 PHE HDx 1.0 1.8 5.74 1398 1136 A 38 ASP HA A 39 PHE HDy 1.0 1.8 5.74 1399 1137 A 40 LEU H A 38 ASP HA 1.0 1.8 5.49 1400 1138 A 38 ASP HBx A 39 PHE HDx 1.0 1.8 5.90 1401 1138 A 38 ASP HBx A 39 PHE HDy 1.0 1.8 5.90 1402 1139 A 39 PHE HE% A 38 ASP HBx 1.0 1.8 5.90 1403 1140 A 38 ASP HBx A 39 PHE H 1.0 1.8 5.82 1404 1141 A 38 ASP HBy A 39 PHE HDx 1.0 1.8 5.90 1405 1141 A 38 ASP HBy A 39 PHE HDy 1.0 1.8 5.90 1406 1142 A 38 ASP HBy A 39 PHE H 1.0 1.8 5.48 1407 1143 A 38 ASP HBy A 38 ASP H 1.0 1.8 4.32 1408 1144 A 40 LEU H A 38 ASP H 1.0 1.8 5.34 1409 1145 A 39 PHE HA A 39 PHE HDx 1.0 1.8 4.38 1410 1145 A 39 PHE HA A 39 PHE HDy 1.0 1.8 4.38 1411 1146 A 39 PHE HE% A 39 PHE HA 1.0 1.8 5.90 1412 1147 A 40 LEU H A 39 PHE HBx 1.0 1.8 5.41 1413 1148 A 39 PHE H A 39 PHE HDy 1.0 1.8 4.86 1414 1149 A 40 LEU HA A 39 PHE H 1.0 1.8 5.63 1415 1150 A 40 LEU HBx A 39 PHE H 1.0 1.8 5.44 1416 1151 A 40 LEU HBy A 39 PHE H 1.0 1.8 5.22 1417 1152 A 40 LEU H A 39 PHE H 1.0 1.8 4.19 1418 1153 A 40 LEU HA A 40 LEU HD2% 1.0 1.8 3.88 1419 1154 A 40 LEU HG A 40 LEU HA 1.0 1.8 4.29 1420 1155 A 40 LEU HBx A 40 LEU HD1% 1.0 1.8 4.13 1421 1156 A 41 VAL H A 40 LEU HBx 1.0 1.8 5.28 1422 1157 A 40 LEU HBy A 40 LEU HD1% 1.0 1.8 4.00 1423 1158 A 41 VAL H A 40 LEU HBy 1.0 1.8 5.11 1424 1159 A 42 LYS HD3 A 40 LEU HD1% 1.0 1.8 3.45 1425 1159 A 40 LEU HD1% A 42 LYS HD2 1.0 1.8 3.45 1426 1160 A 42 LYS HE3 A 40 LEU HD1% 1.0 1.8 4.36 1427 1160 A 40 LEU HD1% A 42 LYS HE2 1.0 1.8 4.36 1428 1161 A 41 VAL HA A 40 LEU HD2% 1.0 1.8 4.31 1429 1162 A 41 VAL H A 40 LEU HD2% 1.0 1.8 4.42 1430 1163 A 42 LYS HA A 40 LEU HD2% 1.0 1.8 4.80 1431 1164 A 42 LYS HD3 A 40 LEU HD2% 1.0 1.8 3.41 1432 1164 A 40 LEU HD2% A 42 LYS HD2 1.0 1.8 3.41 1433 1165 A 42 LYS HE3 A 40 LEU HD2% 1.0 1.8 4.16 1434 1165 A 40 LEU HD2% A 42 LYS HE2 1.0 1.8 4.16 1435 1166 A 42 LYS HG3 A 40 LEU HD2% 1.0 1.8 4.25 1436 1166 A 40 LEU HD2% A 42 LYS HG2 1.0 1.8 4.25 1437 1167 A 43 ASP H A 40 LEU HD2% 1.0 1.8 5.90 1438 1168 A 42 LYS HA A 40 LEU HD2% 1.0 1.8 5.90 1439 1168 A 42 LYS HA A 40 LEU HD1% 1.0 1.8 5.90 1440 1169 A 40 LEU HD1% A 42 LYS HE2 1.0 1.8 5.90 1441 1169 A 40 LEU HD2% A 42 LYS HE2 1.0 1.8 5.90 1442 1169 A 42 LYS HE3 A 40 LEU HD2% 1.0 1.8 5.90 1443 1169 A 42 LYS HE3 A 40 LEU HD1% 1.0 1.8 5.90 1444 1170 A 41 VAL HG2% A 40 LEU HG 1.0 1.8 5.90 1445 1171 A 41 VAL H A 40 LEU HG 1.0 1.8 4.45 1446 1172 A 40 LEU HG A 42 LYS HD2 1.0 1.8 5.78 1447 1172 A 42 LYS HD3 A 40 LEU HG 1.0 1.8 5.78 1448 1173 A 40 LEU HG A 42 LYS HE2 1.0 1.8 5.90 1449 1173 A 42 LYS HE3 A 40 LEU HG 1.0 1.8 5.90 1450 1174 A 40 LEU HBx A 40 LEU H 1.0 1.8 4.18 1451 1175 A 40 LEU HBy A 40 LEU H 1.0 1.8 4.09 1452 1176 A 40 LEU H A 40 LEU HD2% 1.0 1.8 4.65 1453 1177 A 40 LEU HG A 40 LEU H 1.0 1.8 5.00 1454 1178 A 41 VAL H A 40 LEU H 1.0 1.8 5.19 1455 1179 A 41 VAL HA A 41 VAL HG2% 1.0 1.8 3.73 1456 1180 A 41 VAL HA A 41 VAL HG1% 1.0 1.8 3.39 1457 1181 A 42 LYS HBx A 41 VAL HA 1.0 1.8 5.70 1458 1182 A 41 VAL HA A 42 LYS HD2 1.0 1.8 5.86 1459 1182 A 42 LYS HD3 A 41 VAL HA 1.0 1.8 5.86 1460 1183 A 41 VAL HA A 42 LYS HG2 1.0 1.8 5.89 1461 1183 A 42 LYS HG3 A 41 VAL HA 1.0 1.8 5.89 1462 1184 A 41 VAL HA A 42 LYS H 1.0 1.8 3.39 1463 1185 A 41 VAL HB A 42 LYS H 1.0 1.8 4.69 1464 1186 A 41 VAL HB A 47 GLU HBx 1.0 1.8 5.90 1465 1187 A 42 LYS HA A 41 VAL HG2% 1.0 1.8 5.90 1466 1188 A 41 VAL HG2% A 42 LYS H 1.0 1.8 4.76 1467 1189 A 42 LYS HA A 41 VAL HG1% 1.0 1.8 4.85 1468 1190 A 42 LYS HBx A 41 VAL HG1% 1.0 1.8 5.23 1469 1191 A 41 VAL HG1% A 42 LYS H 1.0 1.8 4.14 1470 1192 A 43 ASP HA A 41 VAL HG1% 1.0 1.8 4.79 1471 1193 A 44 THR H A 41 VAL HG1% 1.0 1.8 5.85 1472 1194 A 41 VAL HG1% A 45 GLU HBx 1.0 1.8 5.90 1473 1195 A 41 VAL HG1% A 45 GLU HGy 1.0 1.8 5.90 1474 1196 A 41 VAL HG1% A 46 GLU HA 1.0 1.8 5.90 1475 1197 A 41 VAL HG1% A 47 GLU HBx 1.0 1.8 5.27 1476 1198 A 41 VAL HG1% A 47 GLU H 1.0 1.8 5.04 1477 1199 A 41 VAL H A 41 VAL HB 1.0 1.8 4.53 1478 1200 A 41 VAL H A 41 VAL HG2% 1.0 1.8 4.20 1479 1201 A 41 VAL H A 41 VAL HG1% 1.0 1.8 4.97 1480 1202 A 42 LYS HA A 41 VAL H 1.0 1.8 5.77 1481 1203 A 41 VAL H A 42 LYS HD2 1.0 1.8 5.90 1482 1203 A 42 LYS HD3 A 41 VAL H 1.0 1.8 5.90 1483 1204 A 41 VAL H A 42 LYS HE2 1.0 1.8 5.90 1484 1204 A 42 LYS HE3 A 41 VAL H 1.0 1.8 5.90 1485 1205 A 41 VAL H A 42 LYS H 1.0 1.8 5.18 1486 1206 A 42 LYS HA A 42 LYS HD2 1.0 1.8 3.63 1487 1206 A 42 LYS HD3 A 42 LYS HA 1.0 1.8 3.63 1488 1207 A 42 LYS HA A 42 LYS HE2 1.0 1.8 4.80 1489 1207 A 42 LYS HE3 A 42 LYS HA 1.0 1.8 4.80 1490 1208 A 42 LYS HA A 42 LYS HG2 1.0 1.8 3.60 1491 1208 A 42 LYS HG3 A 42 LYS HA 1.0 1.8 3.60 1492 1209 A 43 ASP H A 42 LYS HA 1.0 1.8 3.19 1493 1210 A 42 LYS HA A 44 THR HG2% 1.0 1.8 5.66 1494 1211 A 44 THR H A 42 LYS HA 1.0 1.8 5.00 1495 1212 A 42 LYS HA A 45 GLU HGy 1.0 1.8 5.24 1496 1213 A 42 LYS HBx A 42 LYS HE2 1.0 1.8 4.91 1497 1213 A 42 LYS HE3 A 42 LYS HBx 1.0 1.8 4.91 1498 1214 A 42 LYS HBx A 43 ASP H 1.0 1.8 4.57 1499 1215 A 42 LYS HBx A 44 THR HG2% 1.0 1.8 5.71 1500 1216 A 42 LYS HBx A 44 THR H 1.0 1.8 4.90 1501 1217 A 42 LYS HBx A 45 GLU HBx 1.0 1.8 5.53 1502 1218 A 42 LYS HBx A 45 GLU HGy 1.0 1.8 5.57 1503 1219 A 42 LYS HBx A 45 GLU H 1.0 1.8 5.71 1504 1220 A 42 LYS HBy A 42 LYS HE2 1.0 1.8 4.90 1505 1220 A 42 LYS HE3 A 42 LYS HBy 1.0 1.8 4.90 1506 1221 A 42 LYS HBy A 43 ASP HBy 1.0 1.8 6.50 1507 1222 A 42 LYS HBy A 43 ASP H 1.0 1.8 4.25 1508 1223 A 42 LYS HBy A 44 THR HB 1.0 1.8 5.90 1509 1224 A 42 LYS HBy A 44 THR HG2% 1.0 1.8 5.30 1510 1225 A 42 LYS HBy A 44 THR H 1.0 1.8 4.88 1511 1226 A 42 LYS HBy A 45 GLU HGx 1.0 1.8 5.90 1512 1227 A 42 LYS HBy A 45 GLU H 1.0 1.8 5.55 1513 1228 A 42 LYS HD2 A 42 LYS HE2 1.0 1.8 3.11 1514 1228 A 42 LYS HD3 A 42 LYS HE2 1.0 1.8 3.11 1515 1228 A 42 LYS HE3 A 42 LYS HD2 1.0 1.8 3.11 1516 1228 A 42 LYS HE3 A 42 LYS HD3 1.0 1.8 3.11 1517 1229 A 43 ASP H A 42 LYS HD2 1.0 1.8 5.03 1518 1229 A 42 LYS HD3 A 43 ASP H 1.0 1.8 5.03 1519 1230 A 45 GLU HGy A 42 LYS HD2 1.0 1.8 5.69 1520 1230 A 42 LYS HD3 A 45 GLU HGy 1.0 1.8 5.69 1521 1231 A 44 THR HG2% A 42 LYS HE2 1.0 1.8 5.11 1522 1231 A 42 LYS HE3 A 44 THR HG2% 1.0 1.8 5.11 1523 1232 A 45 GLU HGy A 42 LYS HE2 1.0 1.8 5.82 1524 1232 A 42 LYS HE3 A 45 GLU HGy 1.0 1.8 5.82 1525 1233 A 42 LYS HD2 A 42 LYS HG2 1.0 1.8 3.15 1526 1233 A 42 LYS HD3 A 42 LYS HG2 1.0 1.8 3.15 1527 1233 A 42 LYS HG3 A 42 LYS HD2 1.0 1.8 3.15 1528 1233 A 42 LYS HG3 A 42 LYS HD3 1.0 1.8 3.15 1529 1234 A 42 LYS HE3 A 42 LYS HG2 1.0 1.8 3.11 1530 1234 A 42 LYS HG3 A 42 LYS HE2 1.0 1.8 3.11 1531 1234 A 42 LYS HE3 A 42 LYS HG3 1.0 1.8 3.11 1532 1234 A 42 LYS HE2 A 42 LYS HG2 1.0 1.8 3.11 1533 1235 A 43 ASP HBx A 42 LYS HG2 1.0 1.8 5.81 1534 1235 A 42 LYS HG3 A 43 ASP HBx 1.0 1.8 5.81 1535 1236 A 43 ASP HBy A 42 LYS HG2 1.0 1.8 5.90 1536 1236 A 42 LYS HG3 A 43 ASP HBy 1.0 1.8 5.90 1537 1237 A 43 ASP H A 42 LYS HG2 1.0 1.8 4.51 1538 1237 A 42 LYS HG3 A 43 ASP H 1.0 1.8 4.51 1539 1238 A 44 THR HG2% A 42 LYS HG2 1.0 1.8 5.09 1540 1238 A 42 LYS HG3 A 44 THR HG2% 1.0 1.8 5.09 1541 1239 A 44 THR H A 42 LYS HG2 1.0 1.8 5.55 1542 1239 A 42 LYS HG3 A 44 THR H 1.0 1.8 5.55 1543 1240 A 45 GLU HGy A 42 LYS HG2 1.0 1.8 5.90 1544 1240 A 42 LYS HG3 A 45 GLU HGy 1.0 1.8 5.90 1545 1241 A 42 LYS HBx A 42 LYS H 1.0 1.8 3.85 1546 1242 A 42 LYS HBy A 42 LYS H 1.0 1.8 4.10 1547 1243 A 42 LYS H A 42 LYS HD2 1.0 1.8 4.75 1548 1243 A 42 LYS HD3 A 42 LYS H 1.0 1.8 4.75 1549 1244 A 42 LYS H A 42 LYS HE2 1.0 1.8 5.18 1550 1244 A 42 LYS HE3 A 42 LYS H 1.0 1.8 5.18 1551 1245 A 42 LYS H A 42 LYS HG2 1.0 1.8 4.37 1552 1245 A 42 LYS HG3 A 42 LYS H 1.0 1.8 4.37 1553 1246 A 43 ASP HA A 42 LYS H 1.0 1.8 5.90 1554 1247 A 43 ASP H A 42 LYS H 1.0 1.8 5.05 1555 1248 A 43 ASP HBx A 43 ASP HA 1.0 1.8 3.37 1556 1249 A 43 ASP HBy A 43 ASP HA 1.0 1.8 3.36 1557 1250 A 44 THR HA A 43 ASP HA 1.0 1.8 5.07 1558 1251 A 43 ASP HA A 44 THR HG2% 1.0 1.8 5.60 1559 1252 A 44 THR H A 43 ASP HA 1.0 1.8 3.19 1560 1253 A 43 ASP HA A 45 GLU HGx 1.0 1.8 5.90 1561 1254 A 43 ASP HBx A 44 THR HG2% 1.0 1.8 5.90 1562 1255 A 44 THR H A 43 ASP HBx 1.0 1.8 5.10 1563 1256 A 44 THR HA A 43 ASP HBy 1.0 1.8 6.10 1564 1257 A 43 ASP HBy A 44 THR HB 1.0 1.8 5.90 1565 1258 A 43 ASP HBy A 44 THR HG2% 1.0 1.8 5.74 1566 1259 A 44 THR H A 43 ASP HBy 1.0 1.8 4.68 1567 1260 A 43 ASP HBx A 43 ASP H 1.0 1.8 3.69 1568 1261 A 43 ASP HBy A 43 ASP H 1.0 1.8 3.80 1569 1262 A 43 ASP H A 44 THR HG2% 1.0 1.8 5.90 1570 1263 A 44 THR H A 43 ASP H 1.0 1.8 4.32 1571 1264 A 44 THR HA A 44 THR HG2% 1.0 1.8 3.64 1572 1265 A 44 THR HA A 46 GLU H 1.0 1.8 4.46 1573 1266 A 45 GLU HA A 44 THR HG2% 1.0 1.8 5.90 1574 1267 A 45 GLU HBx A 44 THR HG2% 1.0 1.8 5.90 1575 1268 A 44 THR HG2% A 45 GLU HGx 1.0 1.8 5.90 1576 1269 A 45 GLU HGy A 44 THR HG2% 1.0 1.8 5.90 1577 1270 A 44 THR HG2% A 45 GLU H 1.0 1.8 4.69 1578 1271 A 44 THR HG2% A 46 GLU H 1.0 1.8 4.91 1579 1272 A 44 THR H A 44 THR HB 1.0 1.8 3.98 1580 1273 A 44 THR H A 44 THR HG2% 1.0 1.8 4.27 1581 1274 A 44 THR H A 45 GLU HBx 1.0 1.8 5.90 1582 1275 A 44 THR H A 45 GLU H 1.0 1.8 3.69 1583 1276 A 45 GLU HA A 45 GLU HBy 1.0 1.8 3.14 1584 1277 A 45 GLU HA A 45 GLU HGx 1.0 1.8 4.10 1585 1278 A 45 GLU HGx A 45 GLU HBy 1.0 1.8 3.20 1586 1279 A 46 GLU H A 45 GLU HBy 1.0 1.8 4.33 1587 1280 A 45 GLU HGx A 46 GLU H 1.0 1.8 4.39 1588 1281 A 47 GLU H A 45 GLU HGx 1.0 1.8 5.80 1589 1282 A 45 GLU HA A 45 GLU H 1.0 1.8 3.32 1590 1283 A 45 GLU HBx A 45 GLU H 1.0 1.8 3.62 1591 1284 A 45 GLU H A 45 GLU HBy 1.0 1.8 4.10 1592 1285 A 45 GLU HGy A 45 GLU H 1.0 1.8 4.30 1593 1286 A 45 GLU H A 46 GLU H 1.0 1.8 3.64 1594 1287 A 46 GLU HA A 46 GLU HG2 1.0 1.8 3.79 1595 1287 A 46 GLU HA A 46 GLU HG3 1.0 1.8 3.79 1596 1288 A 47 GLU HBx A 46 GLU HA 1.0 1.8 5.90 1597 1289 A 46 GLU HA A 47 GLU HBy 1.0 1.8 5.90 1598 1290 A 46 GLU HA A 47 GLU H 1.0 1.8 3.40 1599 1291 A 47 GLU H A 46 GLU HBx 1.0 1.8 5.29 1600 1292 A 46 GLU HBy A 46 GLU HG2 1.0 1.8 3.15 1601 1292 A 46 GLU HG3 A 46 GLU HBy 1.0 1.8 3.15 1602 1293 A 47 GLU H A 46 GLU HBy 1.0 1.8 4.56 1603 1294 A 47 GLU H A 46 GLU HG2 1.0 1.8 5.90 1604 1294 A 47 GLU H A 46 GLU HG3 1.0 1.8 5.90 1605 1295 A 46 GLU HA A 46 GLU H 1.0 1.8 3.13 1606 1296 A 46 GLU H A 46 GLU HBx 1.0 1.8 3.57 1607 1297 A 46 GLU H A 46 GLU HBy 1.0 1.8 4.27 1608 1298 A 47 GLU H A 46 GLU H 1.0 1.8 4.31 1609 1299 A 47 GLU HA A 47 GLU HG2 1.0 1.8 4.64 1610 1299 A 47 GLU HA A 47 GLU HG3 1.0 1.8 4.64 1611 1300 A 47 GLU HBy A 47 GLU HG2 1.0 1.8 2.91 1612 1300 A 47 GLU HBy A 47 GLU HG3 1.0 1.8 2.91 1613 1301 A 47 GLU HBx A 47 GLU H 1.0 1.8 4.19 1614 1302 A 47 GLU H A 47 GLU HG2 1.0 1.8 5.06 1615 1302 A 47 GLU H A 47 GLU HG3 1.0 1.8 5.06 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 B 1 DG H1' B 1 DG H8 1.0 1.8 5.02 2 2 B 1 DG H1' B 2 DC H6 1.0 1.8 4.36 3 3 B 1 DG H8 B 1 DG H2' 1.0 1.8 3.59 4 4 B 1 DG H8 B 1 DG H2'' 1.0 1.8 5.02 5 5 B 2 DC H6 B 1 DG H2'' 1.0 1.8 3.22 6 6 B 2 DC H6 B 1 DG H2' 1.0 1.8 4.94 7 7 B 1 DG H8 B 1 DG H3' 1.0 1.8 5.77 8 8 B 1 DG H1' B 1 DG H4' 1.0 1.8 4.58 9 9 B 1 DG H2' B 1 DG H4' 1.0 1.8 4.93 10 10 B 1 DG H2'' B 1 DG H4' 1.0 1.8 5.21 11 11 B 1 DG H8 B 1 DG H4' 1.0 1.8 6.07 12 12 B 1 DG H1' B 1 DG H5' 1.0 1.8 6.06 13 12 B 1 DG H1' B 1 DG H5'' 1.0 1.8 6.06 14 13 B 1 DG H3' B 1 DG H5' 1.0 1.8 3.74 15 13 B 1 DG H3' B 1 DG H5'' 1.0 1.8 3.74 16 14 B 1 DG H8 B 1 DG H5' 1.0 1.8 5.22 17 14 B 1 DG H8 B 1 DG H5'' 1.0 1.8 5.22 18 15 B 1 DG H8 B 2 DC H6 1.0 1.8 6.53 19 16 B 2 DC H6 B 2 DC H1' 1.0 1.8 4.86 20 17 B 2 DC H1' B 3 DG H8 1.0 1.8 4.43 21 18 B 2 DC H6 B 2 DC H2' 1.0 1.8 3.14 22 19 B 2 DC H6 B 2 DC H2'' 1.0 1.8 4.72 23 20 B 3 DG H8 B 2 DC H2'' 1.0 1.8 3.18 24 21 B 3 DG H8 B 2 DC H2' 1.0 1.8 4.60 25 22 B 3 DG H8 B 2 DC H3' 1.0 1.8 5.90 26 23 B 2 DC H1' B 2 DC H5' 1.0 1.8 5.02 27 23 B 2 DC H1' B 2 DC H5'' 1.0 1.8 5.02 28 24 B 2 DC H6 B 3 DG H8 1.0 1.8 6.17 29 25 B 3 DG H8 B 3 DG H1' 1.0 1.8 4.92 30 26 B 3 DG H1' B 4 DA H8 1.0 1.8 4.50 31 27 B 3 DG H8 B 3 DG H2' 1.0 1.8 3.40 32 28 B 3 DG H8 B 3 DG H2'' 1.0 1.8 4.90 33 29 B 3 DG H8 B 3 DG H3' 1.0 1.8 5.81 34 30 B 3 DG H8 B 3 DG H4' 1.0 1.8 6.43 35 31 B 3 DG H8 B 4 DA H8 1.0 1.8 6.22 36 32 B 4 DA H1' B 4 DA H2'' 1.0 1.8 3.91 37 33 B 4 DA H1' B 4 DA H2' 1.0 1.8 4.56 38 34 B 4 DA H1' B 4 DA H2 1.0 1.8 5.50 39 35 B 4 DA H8 B 4 DA H1' 1.0 1.8 4.97 40 36 B 4 DA H1' B 5 DT H6 1.0 1.8 4.69 41 37 B 4 DA H1' B 5 DT H7% 1.0 1.8 5.65 42 38 B 4 DA H8 B 4 DA H2'' 1.0 1.8 4.90 43 39 B 4 DA H2'' B 5 DT H6 1.0 1.8 3.20 44 40 B 4 DA H2' B 5 DT H6 1.0 1.8 4.76 45 41 B 4 DA H8 B 4 DA H3' 1.0 1.8 5.72 46 42 B 5 DT H6 B 4 DA H3' 1.0 1.8 6.01 47 43 B 4 DA H1' B 4 DA H4' 1.0 1.8 4.42 48 44 B 4 DA H2' B 4 DA H4' 1.0 1.8 4.90 49 45 B 4 DA H2'' B 4 DA H4' 1.0 1.8 5.29 50 46 B 4 DA H8 B 5 DT H6 1.0 1.8 6.36 51 47 B 4 DA H8 B 5 DT H7% 1.0 1.8 4.94 52 48 B 5 DT H1' B 6 DA H8 1.0 1.8 4.44 53 49 B 5 DT H6 B 5 DT H2'' 1.0 1.8 4.68 54 50 B 6 DA H8 B 5 DT H2'' 1.0 1.8 3.50 55 51 B 6 DA H8 B 5 DT H2' 1.0 1.8 4.50 56 52 B 5 DT H6 B 5 DT H3' 1.0 1.8 5.03 57 53 B 5 DT H6 B 6 DA H8 1.0 1.8 6.08 58 54 B 6 DA H1' B 7 DA H8 1.0 1.8 4.67 59 55 B 6 DA H8 B 6 DA H2' 1.0 1.8 3.38 60 56 B 6 DA H8 B 6 DA H2'' 1.0 1.8 4.88 61 57 B 6 DA H8 B 6 DA H3' 1.0 1.8 5.70 62 58 B 7 DA H8 B 6 DA H3' 1.0 1.8 6.07 63 59 B 7 DA H1' B 7 DA H2 1.0 1.8 5.54 64 60 B 7 DA H1' B 8 DT H6 1.0 1.8 4.43 65 61 B 7 DA H1' B 8 DT H7% 1.0 1.8 6.13 66 62 B 7 DA H2 C 25 DT H1' 1.0 1.8 6.08 67 63 B 7 DA H8 B 7 DA H2' 1.0 1.8 3.40 68 64 B 7 DA H8 B 7 DA H2'' 1.0 1.8 4.86 69 65 B 7 DA H8 B 7 DA H3' 1.0 1.8 5.80 70 66 B 8 DT H7% B 7 DA H3' 1.0 1.8 6.53 71 67 B 7 DA H1' B 7 DA H4' 1.0 1.8 4.94 72 68 B 7 DA H8 B 8 DT H6 1.0 1.8 6.17 73 69 B 7 DA H8 B 8 DT H7% 1.0 1.8 4.48 74 70 B 8 DT H1' B 9 DT H6 1.0 1.8 4.85 75 71 B 8 DT H6 B 8 DT H3' 1.0 1.8 5.41 76 72 B 8 DT H6 B 9 DT H6 1.0 1.8 6.14 77 73 B 8 DT H6 B 9 DT H7% 1.0 1.8 5.22 78 74 B 9 DT H1' B 10 DG H8 1.0 1.8 4.57 79 75 B 9 DT H6 B 9 DT H2' 1.0 1.8 4.37 80 76 B 9 DT H6 B 9 DT H2'' 1.0 1.8 5.39 81 77 B 9 DT H6 B 10 DG H8 1.0 1.8 6.23 82 78 B 10 DG H8 B 10 DG H1' 1.0 1.8 4.76 83 79 B 10 DG H1' B 11 DA H8 1.0 1.8 5.04 84 80 B 10 DG H8 B 10 DG H2' 1.0 1.8 3.53 85 81 B 10 DG H8 B 10 DG H2'' 1.0 1.8 4.93 86 82 B 10 DG H8 B 10 DG H3' 1.0 1.8 5.68 87 83 B 11 DA H8 B 10 DG H3' 1.0 1.8 6.04 88 84 B 10 DG H8 B 10 DG H4' 1.0 1.8 6.19 89 85 B 10 DG H8 B 10 DG H5' 1.0 1.8 5.64 90 86 B 10 DG H8 B 10 DG H5'' 1.0 1.8 6.22 91 87 B 10 DG H8 B 11 DA H8 1.0 1.8 6.28 92 88 B 11 DA H1' B 11 DA H2'' 1.0 1.8 3.94 93 89 B 11 DA H1' B 11 DA H2' 1.0 1.8 4.36 94 90 B 11 DA H1' B 11 DA H2 1.0 1.8 5.52 95 91 B 11 DA H8 B 11 DA H1' 1.0 1.8 4.96 96 92 B 11 DA H1' B 12 DT H6 1.0 1.8 4.60 97 93 B 11 DA H1' B 12 DT H7% 1.0 1.8 5.72 98 94 B 11 DA H8 B 11 DA H2' 1.0 1.8 3.32 99 95 B 11 DA H8 B 11 DA H2'' 1.0 1.8 4.92 100 96 B 11 DA H2'' B 12 DT H6 1.0 1.8 3.95 101 97 B 11 DA H2' B 12 DT H6 1.0 1.8 4.78 102 98 B 11 DA H8 B 11 DA H3' 1.0 1.8 5.52 103 99 B 12 DT H6 B 11 DA H3' 1.0 1.8 5.87 104 100 B 12 DT H7% B 11 DA H3' 1.0 1.8 6.31 105 101 B 11 DA H1' B 11 DA H4' 1.0 1.8 4.45 106 102 B 11 DA H2' B 11 DA H4' 1.0 1.8 4.88 107 103 B 11 DA H2'' B 11 DA H4' 1.0 1.8 5.22 108 104 B 11 DA H8 B 11 DA H4' 1.0 1.8 6.82 109 105 B 11 DA H8 B 12 DT H6 1.0 1.8 6.40 110 106 B 11 DA H8 B 12 DT H7% 1.0 1.8 5.21 111 107 B 12 DT H1' B 13 DA H8 1.0 1.8 4.50 112 108 B 12 DT H6 B 12 DT H2' 1.0 1.8 3.36 113 109 B 12 DT H6 B 12 DT H2'' 1.0 1.8 4.68 114 110 B 13 DA H8 B 12 DT H2'' 1.0 1.8 3.38 115 111 B 13 DA H8 B 12 DT H2' 1.0 1.8 4.37 116 112 B 12 DT H6 B 13 DA H8 1.0 1.8 5.84 117 113 B 13 DA H1' B 13 DA H2'' 1.0 1.8 3.91 118 114 B 13 DA H1' B 13 DA H2' 1.0 1.8 4.46 119 115 B 13 DA H8 B 13 DA H1' 1.0 1.8 4.88 120 116 B 13 DA H1' B 14 DG H8 1.0 1.8 4.69 121 117 B 13 DA H8 B 13 DA H2' 1.0 1.8 3.42 122 118 B 13 DA H8 B 13 DA H2'' 1.0 1.8 4.92 123 119 B 13 DA H2'' B 14 DG H8 1.0 1.8 3.20 124 120 B 13 DA H2' B 14 DG H8 1.0 1.8 4.68 125 121 B 13 DA H8 B 13 DA H3' 1.0 1.8 5.72 126 122 B 14 DG H8 B 13 DA H3' 1.0 1.8 5.87 127 123 B 13 DA H1' B 13 DA H4' 1.0 1.8 4.42 128 124 B 13 DA H8 B 14 DG H8 1.0 1.8 6.40 129 125 B 14 DG H8 B 14 DG H1' 1.0 1.8 4.99 130 126 B 14 DG H1' B 15 DG H8 1.0 1.8 4.67 131 127 B 14 DG H8 B 14 DG H2'' 1.0 1.8 4.49 132 128 B 14 DG H8 B 14 DG H2' 1.0 1.8 4.60 133 129 B 15 DG H8 B 14 DG H2'' 1.0 1.8 3.37 134 130 B 15 DG H8 B 14 DG H2' 1.0 1.8 4.64 135 131 B 14 DG H8 B 14 DG H3' 1.0 1.8 5.75 136 132 B 15 DG H8 B 14 DG H3' 1.0 1.8 6.14 137 133 B 14 DG H1' B 14 DG H4' 1.0 1.8 4.40 138 134 B 14 DG H2' B 14 DG H4' 1.0 1.8 4.97 139 135 B 14 DG H2'' B 14 DG H4' 1.0 1.8 5.11 140 136 B 15 DG H1' B 15 DG H2'' 1.0 1.8 3.71 141 137 B 15 DG H1' B 15 DG H2' 1.0 1.8 4.31 142 138 B 15 DG H8 B 15 DG H1' 1.0 1.8 5.00 143 139 B 15 DG H8 B 15 DG H2'' 1.0 1.8 3.17 144 140 B 15 DG H8 B 15 DG H2' 1.0 1.8 4.97 145 141 B 15 DG H8 B 15 DG H3' 1.0 1.8 5.50 146 142 B 15 DG H1' B 15 DG H5' 1.0 1.8 6.28 147 142 B 15 DG H1' B 15 DG H5'' 1.0 1.8 6.28 148 143 C 16 DC H1' C 16 DC H6 1.0 1.8 4.81 149 144 C 16 DC H1' C 17 DC H6 1.0 1.8 4.30 150 145 C 16 DC H6 C 16 DC H2' 1.0 1.8 3.44 151 146 C 16 DC H6 C 16 DC H2'' 1.0 1.8 5.05 152 147 C 17 DC H6 C 16 DC H2'' 1.0 1.8 3.67 153 148 C 17 DC H6 C 16 DC H2' 1.0 1.8 4.72 154 149 C 16 DC H6 C 16 DC H3' 1.0 1.8 5.60 155 150 C 16 DC H3' C 17 DC H5 1.0 1.8 6.82 156 151 C 17 DC H6 C 16 DC H3' 1.0 1.8 5.80 157 152 C 16 DC H1' C 16 DC H4' 1.0 1.8 4.57 158 153 C 16 DC H6 C 16 DC H4' 1.0 1.8 5.60 159 154 C 16 DC H3' C 16 DC H5' 1.0 1.8 3.96 160 155 C 16 DC H3' C 16 DC H5'' 1.0 1.8 4.07 161 156 C 16 DC H6 C 16 DC H5'' 1.0 1.8 3.78 162 157 C 16 DC H6 C 16 DC H5' 1.0 1.8 5.42 163 158 C 17 DC H5 C 16 DC H5 1.0 1.8 6.32 164 159 C 16 DC H6 C 17 DC H5 1.0 1.8 5.99 165 160 C 16 DC H6 C 17 DC H6 1.0 1.8 6.62 166 161 C 17 DC H1' C 17 DC H2' 1.0 1.8 4.37 167 162 C 17 DC H6 C 17 DC H1' 1.0 1.8 4.79 168 163 C 17 DC H1' C 18 DT H6 1.0 1.8 4.69 169 164 C 17 DC H1' C 18 DT H7% 1.0 1.8 5.65 170 165 C 17 DC H6 C 17 DC H2' 1.0 1.8 3.20 171 166 C 17 DC H6 C 17 DC H2'' 1.0 1.8 4.80 172 167 C 17 DC H6 C 17 DC H3' 1.0 1.8 5.30 173 168 C 17 DC H1' C 17 DC H4' 1.0 1.8 4.38 174 169 C 17 DC H5 C 18 DT H7% 1.0 1.8 5.54 175 170 C 17 DC H6 C 18 DT H7% 1.0 1.8 5.10 176 171 C 18 DT H6 C 18 DT H1' 1.0 1.8 4.84 177 172 C 18 DT H1' C 19 DA H8 1.0 1.8 4.38 178 173 C 18 DT H6 C 18 DT H2' 1.0 1.8 3.22 179 174 C 18 DT H6 C 18 DT H2'' 1.0 1.8 4.69 180 175 C 19 DA H8 C 18 DT H2'' 1.0 1.8 3.42 181 176 C 19 DA H8 C 18 DT H2' 1.0 1.8 4.37 182 177 C 18 DT H6 C 18 DT H3' 1.0 1.8 5.27 183 178 C 19 DA H8 C 18 DT H3' 1.0 1.8 6.01 184 179 C 18 DT H6 C 19 DA H8 1.0 1.8 5.84 185 180 C 19 DA H1' C 19 DA H2'' 1.0 1.8 3.83 186 181 C 19 DA H1' C 19 DA H2' 1.0 1.8 4.57 187 182 C 19 DA H1' C 19 DA H2 1.0 1.8 6.19 188 183 C 19 DA H8 C 19 DA H1' 1.0 1.8 4.99 189 184 C 19 DA H1' C 20 DT H6 1.0 1.8 4.61 190 185 C 19 DA H1' C 20 DT H7% 1.0 1.8 5.72 191 186 C 19 DA H8 C 19 DA H2' 1.0 1.8 3.59 192 187 C 19 DA H8 C 19 DA H2'' 1.0 1.8 5.04 193 188 C 19 DA H2'' C 20 DT H6 1.0 1.8 3.18 194 189 C 19 DA H2' C 20 DT H6 1.0 1.8 4.68 195 190 C 19 DA H8 C 19 DA H3' 1.0 1.8 5.71 196 191 C 20 DT H6 C 19 DA H3' 1.0 1.8 6.06 197 192 C 19 DA H1' C 19 DA H4' 1.0 1.8 4.27 198 193 C 19 DA H8 C 19 DA H4' 1.0 1.8 6.19 199 194 C 19 DA H8 C 20 DT H6 1.0 1.8 6.38 200 195 C 19 DA H8 C 20 DT H7% 1.0 1.8 5.27 201 196 C 20 DT H1' C 20 DT H2'' 1.0 1.8 3.59 202 197 C 20 DT H1' C 20 DT H2' 1.0 1.8 4.45 203 198 C 20 DT H1' C 21 DC H6 1.0 1.8 4.50 204 199 C 20 DT H6 C 20 DT H2' 1.0 1.8 3.18 205 200 C 20 DT H6 C 20 DT H2'' 1.0 1.8 4.75 206 201 C 20 DT H6 C 20 DT H3' 1.0 1.8 5.35 207 202 C 20 DT H6 C 21 DC H5 1.0 1.8 4.73 208 203 C 20 DT H7% C 21 DC H5 1.0 1.8 5.89 209 204 C 21 DC H1' C 21 DC H2'' 1.0 1.8 4.01 210 205 C 21 DC H1' C 21 DC H2' 1.0 1.8 4.90 211 206 C 21 DC H6 C 21 DC H1' 1.0 1.8 4.76 212 207 C 21 DC H1' C 22 DA H8 1.0 1.8 4.44 213 208 C 21 DC H6 C 21 DC H2' 1.0 1.8 3.23 214 209 C 21 DC H6 C 21 DC H2'' 1.0 1.8 4.66 215 210 C 21 DC H6 C 22 DA H8 1.0 1.8 6.06 216 211 C 22 DA H8 C 22 DA H1' 1.0 1.8 5.02 217 212 C 22 DA H1' C 23 DA H8 1.0 1.8 4.44 218 213 C 22 DA H1' C 22 DA H4' 1.0 1.8 4.37 219 214 C 23 DA H1' C 23 DA H2'' 1.0 1.8 4.00 220 215 C 23 DA H1' C 23 DA H2 1.0 1.8 5.53 221 216 C 23 DA H8 C 23 DA H1' 1.0 1.8 4.98 222 217 C 23 DA H1' C 24 DT H6 1.0 1.8 4.52 223 218 C 23 DA H1' C 24 DT H7% 1.0 1.8 5.71 224 219 C 23 DA H2'' C 24 DT H6 1.0 1.8 3.72 225 220 C 24 DT H6 C 23 DA H2' 1.0 1.8 4.80 226 221 B 9 DT H1' C 23 DA H2 1.0 1.8 6.06 227 222 C 24 DT H6 C 23 DA H3' 1.0 1.8 6.06 228 223 C 24 DT H7% C 23 DA H3' 1.0 1.8 6.55 229 224 C 23 DA H1' C 23 DA H4' 1.0 1.8 4.34 230 225 C 23 DA H8 C 24 DT H7% 1.0 1.8 5.34 231 226 C 24 DT H6 C 24 DT H2' 1.0 1.8 3.26 232 227 C 24 DT H6 C 24 DT H2'' 1.0 1.8 4.74 233 228 C 24 DT H2'' C 25 DT H6 1.0 1.8 3.54 234 229 C 24 DT H2' C 25 DT H6 1.0 1.8 4.56 235 230 C 24 DT H6 C 24 DT H3' 1.0 1.8 5.16 236 231 C 25 DT H6 C 24 DT H3' 1.0 1.8 6.00 237 232 C 24 DT H6 C 25 DT H7% 1.0 1.8 5.95 238 233 C 25 DT H1' C 26 DA H8 1.0 1.8 4.56 239 234 C 26 DA H8 C 25 DT H2' 1.0 1.8 4.26 240 235 C 26 DA H8 C 25 DT H2'' 1.0 1.8 4.69 241 236 C 25 DT H6 C 25 DT H3' 1.0 1.8 4.99 242 237 C 26 DA H8 C 25 DT H3' 1.0 1.8 5.99 243 238 C 25 DT H6 C 26 DA H8 1.0 1.8 5.75 244 239 C 26 DA H1' C 27 DT H6 1.0 1.8 4.55 245 240 C 26 DA H1' C 27 DT H7% 1.0 1.8 6.20 246 241 C 26 DA H8 C 26 DA H2'' 1.0 1.8 5.21 247 242 C 27 DT H6 C 26 DA H2'' 1.0 1.8 3.24 248 243 C 27 DT H6 C 26 DA H2' 1.0 1.8 4.84 249 244 C 26 DA H8 C 26 DA H3' 1.0 1.8 5.66 250 245 C 27 DT H6 C 26 DA H3' 1.0 1.8 6.06 251 246 C 27 DT H7% C 26 DA H3' 1.0 1.8 6.40 252 247 C 26 DA H8 C 27 DT H7% 1.0 1.8 5.06 253 248 C 27 DT H1' C 27 DT H2'' 1.0 1.8 3.64 254 249 C 27 DT H1' C 27 DT H2' 1.0 1.8 4.26 255 250 C 27 DT H1' C 28 DC H6 1.0 1.8 4.52 256 251 C 27 DT H6 C 27 DT H2' 1.0 1.8 3.24 257 252 C 27 DT H6 C 27 DT H2'' 1.0 1.8 4.72 258 253 C 27 DT H2'' C 28 DC H6 1.0 1.8 3.14 259 254 C 27 DT H2' C 28 DC H6 1.0 1.8 4.63 260 255 C 27 DT H6 C 27 DT H3' 1.0 1.8 5.27 261 256 C 27 DT H6 C 28 DC H5 1.0 1.8 4.72 262 257 C 27 DT H6 C 28 DC H6 1.0 1.8 6.18 263 258 C 28 DC H6 C 28 DC H1' 1.0 1.8 4.74 264 259 C 28 DC H1' C 29 DG H8 1.0 1.8 4.78 265 260 C 28 DC H6 C 28 DC H2' 1.0 1.8 3.47 266 261 C 28 DC H6 C 28 DC H2'' 1.0 1.8 4.54 267 262 C 29 DG H8 C 28 DC H2'' 1.0 1.8 3.94 268 263 C 29 DG H8 C 28 DC H2' 1.0 1.8 5.03 269 264 C 28 DC H6 C 29 DG H8 1.0 1.8 6.16 270 265 C 29 DG H8 C 29 DG H1' 1.0 1.8 4.87 271 266 C 29 DG H1' C 30 DC H6 1.0 1.8 4.79 272 267 C 29 DG H8 C 29 DG H2' 1.0 1.8 3.79 273 268 C 29 DG H8 C 29 DG H2'' 1.0 1.8 4.87 274 269 C 30 DC H6 C 29 DG H2'' 1.0 1.8 3.48 275 270 C 30 DC H6 C 29 DG H2' 1.0 1.8 4.70 276 271 C 29 DG H8 C 29 DG H3' 1.0 1.8 5.75 277 272 C 30 DC H6 C 29 DG H3' 1.0 1.8 6.06 278 273 C 29 DG H1' C 29 DG H4' 1.0 1.8 4.54 279 274 C 29 DG H8 C 29 DG H4' 1.0 1.8 6.18 280 275 C 29 DG H8 C 30 DC H5 1.0 1.8 4.82 281 276 C 29 DG H8 C 30 DC H6 1.0 1.8 6.19 282 277 C 30 DC H1' C 30 DC H2'' 1.0 1.8 3.73 283 278 C 30 DC H1' C 30 DC H2' 1.0 1.8 4.37 284 279 C 30 DC H6 C 30 DC H1' 1.0 1.8 4.73 285 280 C 30 DC H6 C 30 DC H2' 1.0 1.8 3.22 286 281 C 30 DC H6 C 30 DC H2'' 1.0 1.8 4.69 287 282 C 30 DC H6 C 30 DC H3' 1.0 1.8 5.24 stop_ save_ save_CNS/XPLOR_distance_constraints_9 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_9 _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 21 ARG HE B 5 DT H1' 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_10 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_10 _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 22 GLN HGx B 9 DT H5' 1.0 1.8 4.8 2 1 A 22 GLN HGx B 10 DG H5'' 1.0 1.8 4.8 3 1 A 22 GLN HGx B 10 DG H5' 1.0 1.8 4.8 4 2 A 22 GLN HGy B 9 DT H5' 1.0 1.8 4.8 5 2 A 22 GLN HGy B 10 DG H5'' 1.0 1.8 4.8 6 2 A 22 GLN HGy B 10 DG H5' 1.0 1.8 4.8 7 3 B 10 DG H5' A 24 ARG HD2 1.0 1.8 5.5 8 3 A 24 ARG HD3 B 10 DG H5' 1.0 1.8 5.5 9 3 A 24 ARG HD2 B 10 DG H5'' 1.0 1.8 5.5 10 3 A 24 ARG HD3 B 9 DT H5' 1.0 1.8 5.5 11 3 B 9 DT H5' A 24 ARG HD2 1.0 1.8 5.5 12 3 A 24 ARG HD3 B 10 DG H5'' 1.0 1.8 5.5 13 4 A 24 ARG HA B 9 DT H5' 1.0 1.8 5.5 14 4 A 24 ARG HA B 10 DG H5'' 1.0 1.8 5.5 15 4 A 24 ARG HA B 10 DG H5' 1.0 1.8 5.5 16 5 A 27 LYS HDx B 10 DG H5'' 1.0 1.8 5.5 17 5 B 9 DT H5' A 27 LYS HDx 1.0 1.8 5.5 18 5 B 10 DG H5' A 27 LYS HDy 1.0 1.8 5.5 19 5 B 9 DT H5' A 27 LYS HDy 1.0 1.8 5.5 20 5 B 10 DG H5' A 27 LYS HDx 1.0 1.8 5.5 21 5 A 27 LYS HDy B 10 DG H5'' 1.0 1.8 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.restraint_origin undefined _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 B 1 DG C1' C 30 DC C1' 1.0 10.60 10.90 2 2 B 2 DC C1' C 29 DG C1' 1.0 10.60 10.90 3 3 B 3 DG C1' C 28 DC C1' 1.0 10.60 10.90 4 4 B 4 DA C1' C 27 DT C1' 1.0 10.35 10.65 5 5 B 5 DT C1' C 26 DA C1' 1.0 10.35 10.65 6 6 B 6 DA C1' C 25 DT C1' 1.0 10.35 10.65 7 7 B 7 DA C1' C 24 DT C1' 1.0 10.35 10.65 8 8 B 8 DT C1' C 23 DA C1' 1.0 10.35 10.65 9 9 B 9 DT C1' C 22 DA C1' 1.0 10.35 10.65 10 10 B 10 DG C1' C 21 DC C1' 1.0 10.60 10.90 11 11 B 11 DA C1' C 20 DT C1' 1.0 10.35 10.65 12 12 B 12 DT C1' C 19 DA C1' 1.0 10.35 10.65 13 13 B 13 DA C1' C 18 DT C1' 1.0 10.35 10.65 14 14 B 14 DG C1' C 17 DC C1' 1.0 10.60 10.90 15 15 B 15 DG C1' C 16 DC C1' 1.0 10.60 10.90 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 41 VAL H A 7 TYR O 1.0 1.8 2.2 2 2 A 7 TYR O A 41 VAL N 1.0 2.7 3.3 3 3 A 7 TYR H A 41 VAL O 1.0 1.8 2.2 4 4 A 41 VAL O A 7 TYR N 1.0 2.7 3.3 5 5 A 16 TRP H A 8 TYR O 1.0 1.8 2.2 6 6 A 8 TYR O A 16 TRP N 1.0 2.7 3.3 7 7 A 8 TYR H A 16 TRP O 1.0 1.8 2.2 8 8 A 16 TRP O A 8 TYR N 1.0 2.7 3.3 9 9 A 30 LEU H A 26 LEU O 1.0 1.8 2.2 10 10 A 26 LEU O A 30 LEU N 1.0 2.7 3.3 11 11 A 31 LEU H A 27 LYS O 1.0 1.8 2.2 12 12 A 27 LYS O A 31 LEU N 1.0 2.7 3.3 13 13 A 38 ASP H A 35 LYS O 1.0 1.6 2.5 14 14 A 35 LYS O A 38 ASP N 1.0 2.6 3.5 15 15 A 39 PHE H A 36 LYS O 1.0 1.6 2.5 16 16 A 36 LYS O A 39 PHE N 1.0 2.6 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _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 B 1 DG H2y C 30 DC O2 1.0 1.8 2.2 2 2 C 30 DC O2 B 1 DG N2 1.0 2.7 3.3 3 3 B 1 DG H1 C 30 DC N3 1.0 1.8 2.2 4 4 C 30 DC N3 B 1 DG N1 1.0 2.7 3.3 5 5 B 1 DG O6 C 30 DC H4x 1.0 1.8 2.2 6 6 B 1 DG O6 C 30 DC N4 1.0 2.7 3.3 7 7 B 2 DC O2 C 29 DG H2y 1.0 1.8 2.2 8 8 B 2 DC O2 C 29 DG N2 1.0 2.7 3.3 9 9 B 2 DC N3 C 29 DG H1 1.0 1.8 2.2 10 10 B 2 DC N3 C 29 DG N1 1.0 2.7 3.3 11 11 B 2 DC H4x C 29 DG O6 1.0 1.8 2.2 12 12 C 29 DG O6 B 2 DC N4 1.0 2.7 3.3 13 13 B 3 DG H2y C 28 DC O2 1.0 1.8 2.2 14 14 C 28 DC O2 B 3 DG N2 1.0 2.7 3.3 15 15 B 3 DG H1 C 28 DC N3 1.0 1.8 2.2 16 16 C 28 DC N3 B 3 DG N1 1.0 2.7 3.3 17 17 B 3 DG O6 C 28 DC H4x 1.0 1.8 2.2 18 18 B 3 DG O6 C 28 DC N4 1.0 2.7 3.3 19 19 B 4 DA N1 C 27 DT H3 1.0 1.8 2.2 20 20 B 4 DA N1 C 27 DT N3 1.0 2.7 3.3 21 21 B 4 DA H6y C 27 DT O4 1.0 1.8 2.2 22 22 C 27 DT O4 B 4 DA N6 1.0 2.7 3.3 23 23 B 5 DT H3 C 26 DA N1 1.0 1.8 2.2 24 24 C 26 DA N1 B 5 DT N3 1.0 2.7 3.3 25 25 B 5 DT O4 C 26 DA H6y 1.0 1.8 2.2 26 26 B 5 DT O4 C 26 DA N6 1.0 2.7 3.3 27 27 B 6 DA N1 C 25 DT H3 1.0 1.8 2.2 28 28 B 6 DA N1 C 25 DT N3 1.0 2.7 3.3 29 29 B 6 DA H6y C 25 DT O4 1.0 1.9 2.2 30 30 C 25 DT O4 B 6 DA N6 1.0 2.8 3.3 31 31 B 7 DA N1 C 24 DT H3 1.0 1.8 2.2 32 32 B 7 DA N1 C 24 DT N3 1.0 2.7 3.3 33 33 B 7 DA H6y C 24 DT O4 1.0 1.8 2.2 34 34 C 24 DT O4 B 7 DA N6 1.0 2.7 3.3 35 35 B 8 DT H3 C 23 DA N1 1.0 1.8 2.2 36 36 C 23 DA N1 B 8 DT N3 1.0 2.7 3.3 37 37 B 8 DT O4 C 23 DA H6y 1.0 1.8 2.2 38 38 B 8 DT O4 C 23 DA N6 1.0 2.7 3.3 39 39 B 9 DT H3 C 22 DA N1 1.0 1.8 2.2 40 40 C 22 DA N1 B 9 DT N3 1.0 2.7 3.3 41 41 B 9 DT O4 C 22 DA H6y 1.0 1.8 2.2 42 42 B 9 DT O4 C 22 DA N6 1.0 2.7 3.3 43 43 B 10 DG H2y C 21 DC O2 1.0 1.8 2.2 44 44 C 21 DC O2 B 10 DG N2 1.0 2.7 3.3 45 45 B 10 DG H1 C 21 DC N3 1.0 1.8 2.2 46 46 C 21 DC N3 B 10 DG N1 1.0 2.7 3.3 47 47 B 10 DG O6 C 21 DC H4y 1.0 1.8 2.2 48 48 B 10 DG O6 C 21 DC N4 1.0 2.7 3.3 49 49 B 11 DA N1 C 20 DT H3 1.0 1.8 2.2 50 50 B 11 DA N1 C 20 DT N3 1.0 2.7 3.3 51 51 B 11 DA H6y C 20 DT O4 1.0 1.9 2.2 52 52 C 20 DT O4 B 11 DA N6 1.0 2.8 3.3 53 53 B 12 DT H3 C 19 DA N1 1.0 1.8 2.2 54 54 C 19 DA N1 B 12 DT N3 1.0 2.7 3.3 55 55 B 12 DT O4 C 19 DA H6y 1.0 1.8 2.2 56 56 B 12 DT O4 C 19 DA N6 1.0 2.7 3.3 57 57 B 13 DA N1 C 18 DT H3 1.0 1.8 2.2 58 58 B 13 DA N1 C 18 DT N3 1.0 2.7 3.3 59 59 B 13 DA H6y C 18 DT O4 1.0 1.8 2.2 60 60 C 18 DT O4 B 13 DA N6 1.0 2.7 3.3 61 61 B 14 DG H2y C 17 DC O2 1.0 1.8 2.2 62 62 C 17 DC O2 B 14 DG N2 1.0 2.7 3.3 63 63 B 14 DG H1 C 17 DC N3 1.0 1.8 2.2 64 64 C 17 DC N3 B 14 DG N1 1.0 2.7 3.3 65 65 B 14 DG O6 C 17 DC H4x 1.0 1.8 2.2 66 66 B 14 DG O6 C 17 DC N4 1.0 2.7 3.3 67 67 B 15 DG H2y C 16 DC O2 1.0 1.8 2.2 68 68 C 16 DC O2 B 15 DG N2 1.0 2.7 3.3 69 69 B 15 DG H1 C 16 DC N3 1.0 1.8 2.2 70 70 C 16 DC N3 B 15 DG N1 1.0 2.7 3.3 71 71 B 15 DG O6 C 16 DC H4y 1.0 1.8 2.2 72 72 B 15 DG O6 C 16 DC N4 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A -9 SER N A -9 SER CA A -9 SER C A -8 HIS N 1.0 -85.0 205.0 PSI 2 2 A -9 SER C A -8 HIS N A -8 HIS CA A -8 HIS C 1.0 45.0 315.0 PHI 3 3 A -9 SER C A -8 HIS N A -8 HIS CA A -8 HIS C 1.0 -185.0 75.0 PHI 4 4 A -8 HIS N A -8 HIS CA A -8 HIS CB A -8 HIS CG 1.0 25.0 335.0 CHI1 5 5 A -8 HIS N A -8 HIS CA A -8 HIS CB A -8 HIS CG 1.0 -205.0 95.0 CHI1 6 6 A -8 HIS N A -8 HIS CA A -8 HIS C A -7 HIS N 1.0 -85.0 195.0 PSI 7 7 A -8 HIS C A -7 HIS N A -7 HIS CA A -7 HIS C 1.0 45.0 315.0 PHI 8 8 A -8 HIS C A -7 HIS N A -7 HIS CA A -7 HIS C 1.0 -185.0 75.0 PHI 9 9 A -7 HIS N A -7 HIS CA A -7 HIS CB A -7 HIS CG 1.0 25.0 335.0 CHI1 10 10 A -7 HIS N A -7 HIS CA A -7 HIS CB A -7 HIS CG 1.0 -205.0 95.0 CHI1 11 11 A -7 HIS N A -7 HIS CA A -7 HIS C A -6 HIS N 1.0 -85.0 195.0 PSI 12 12 A -7 HIS C A -6 HIS N A -6 HIS CA A -6 HIS C 1.0 45.0 315.0 PHI 13 13 A -7 HIS C A -6 HIS N A -6 HIS CA A -6 HIS C 1.0 -185.0 75.0 PHI 14 14 A -6 HIS N A -6 HIS CA A -6 HIS CB A -6 HIS CG 1.0 25.0 335.0 CHI1 15 15 A -6 HIS N A -6 HIS CA A -6 HIS CB A -6 HIS CG 1.0 -205.0 95.0 CHI1 16 16 A -6 HIS N A -6 HIS CA A -6 HIS C A -5 HIS N 1.0 -85.0 195.0 PSI 17 17 A -6 HIS C A -5 HIS N A -5 HIS CA A -5 HIS C 1.0 45.0 315.0 PHI 18 18 A -6 HIS C A -5 HIS N A -5 HIS CA A -5 HIS C 1.0 -185.0 75.0 PHI 19 19 A -5 HIS N A -5 HIS CA A -5 HIS CB A -5 HIS CG 1.0 25.0 335.0 CHI1 20 20 A -5 HIS N A -5 HIS CA A -5 HIS CB A -5 HIS CG 1.0 -205.0 95.0 CHI1 21 21 A -5 HIS N A -5 HIS CA A -5 HIS C A -4 HIS N 1.0 -85.0 195.0 PSI 22 22 A -5 HIS C A -4 HIS N A -4 HIS CA A -4 HIS C 1.0 45.0 315.0 PHI 23 23 A -5 HIS C A -4 HIS N A -4 HIS CA A -4 HIS C 1.0 -185.0 75.0 PHI 24 24 A -4 HIS N A -4 HIS CA A -4 HIS CB A -4 HIS CG 1.0 25.0 335.0 CHI1 25 25 A -4 HIS N A -4 HIS CA A -4 HIS CB A -4 HIS CG 1.0 -205.0 95.0 CHI1 26 26 A -4 HIS N A -4 HIS CA A -4 HIS C A -3 HIS N 1.0 -85.0 195.0 PSI 27 27 A -4 HIS C A -3 HIS N A -3 HIS CA A -3 HIS C 1.0 45.0 315.0 PHI 28 28 A -4 HIS C A -3 HIS N A -3 HIS CA A -3 HIS C 1.0 -185.0 75.0 PHI 29 29 A -3 HIS N A -3 HIS CA A -3 HIS CB A -3 HIS CG 1.0 25.0 335.0 CHI1 30 30 A -3 HIS N A -3 HIS CA A -3 HIS CB A -3 HIS CG 1.0 -205.0 95.0 CHI1 31 31 A -3 HIS N A -3 HIS CA A -3 HIS C A -2 SER N 1.0 -85.0 195.0 PSI 32 32 A -3 HIS C A -2 SER N A -2 SER CA A -2 SER C 1.0 45.0 315.0 PHI 33 33 A -3 HIS C A -2 SER N A -2 SER CA A -2 SER C 1.0 -185.0 75.0 PHI 34 34 A -3 HIS C A -2 SER N A -2 SER CA A -2 SER C 1.0 -100.2 -45.6 PHI 35 35 A -2 SER N A -2 SER CA A -2 SER C A -1 MET N 1.0 -85.0 205.0 PSI 36 36 A -2 SER N A -2 SER CA A -2 SER C A -1 MET N 1.0 -58.9 -10.5 PSI 37 37 A -1 MET C A 0 GLY N A 0 GLY CA A 0 GLY C 1.0 45.0 315.0 PHI 38 38 A 4 LYS C A 5 GLY N A 5 GLY CA A 5 GLY C 1.0 45.0 315.0 PHI 39 39 A 5 GLY N A 5 GLY CA A 5 GLY C A 6 VAL N 1.0 -125.0 125.0 PSI 40 40 A 10 ASN C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 45.0 315.0 PHI 41 41 A 10 ASN C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -185.0 75.0 PHI 42 42 A 10 ASN C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -120.0 -20.0 PHI 43 43 A 10 ASN C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -72.1 -48.1 PHI 44 44 A 11 GLU N A 11 GLU CA A 11 GLU CB A 11 GLU CG 1.0 25.0 335.0 CHI1 45 45 A 11 GLU N A 11 GLU CA A 11 GLU CB A 11 GLU CG 1.0 -205.0 95.0 CHI1 46 46 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 GLU N 1.0 -85.0 165.0 PSI 47 47 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 GLU N 1.0 -100.0 0.0 PSI 48 48 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 GLU N 1.0 -39.4 -11.2 PSI 49 49 A 15 THR C A 16 TRP N A 16 TRP CA A 16 TRP C 1.0 45.0 315.0 PHI 50 50 A 15 THR C A 16 TRP N A 16 TRP CA A 16 TRP C 1.0 -185.0 75.0 PHI 51 51 A 15 THR C A 16 TRP N A 16 TRP CA A 16 TRP C 1.0 -157.9 -109.7 PHI 52 52 A 16 TRP N A 16 TRP CA A 16 TRP CB A 16 TRP CG 1.0 25.0 335.0 CHI1 53 53 A 16 TRP N A 16 TRP CA A 16 TRP CB A 16 TRP CG 1.0 -205.0 95.0 CHI1 54 54 A 16 TRP N A 16 TRP CA A 16 TRP C A 17 SER N 1.0 -85.0 195.0 PSI 55 55 A 16 TRP N A 16 TRP CA A 16 TRP C A 17 SER N 1.0 105.7 161.7 PSI 56 56 A 16 TRP C A 17 SER N A 17 SER CA A 17 SER C 1.0 45.0 315.0 PHI 57 57 A 16 TRP C A 17 SER N A 17 SER CA A 17 SER C 1.0 -185.0 75.0 PHI 58 58 A 17 SER N A 17 SER CA A 17 SER C A 18 GLY N 1.0 -85.0 205.0 PSI 59 59 A 17 SER C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 45.0 315.0 PHI 60 60 A 19 VAL C A 20 GLY N A 20 GLY CA A 20 GLY C 1.0 45.0 315.0 PHI 61 61 A 20 GLY C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 45.0 315.0 PHI 62 62 A 20 GLY C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -185.0 75.0 PHI 63 63 A 21 ARG N A 21 ARG CA A 21 ARG CB A 21 ARG CG 1.0 25.0 335.0 CHI1 64 64 A 21 ARG N A 21 ARG CA A 21 ARG CB A 21 ARG CG 1.0 -205.0 95.0 CHI1 65 65 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 GLN N 1.0 -85.0 195.0 PSI 66 66 A 21 ARG C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 45.0 315.0 PHI 67 67 A 21 ARG C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -185.0 75.0 PHI 68 68 A 21 ARG C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -157.6 -37.4 PHI 69 69 A 22 GLN N A 22 GLN CA A 22 GLN CB A 22 GLN CG 1.0 25.0 335.0 CHI1 70 70 A 22 GLN N A 22 GLN CA A 22 GLN CB A 22 GLN CG 1.0 -195.0 85.0 CHI1 71 71 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 PRO N 1.0 55.0 165.0 PSI 72 72 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 PRO N 1.0 -215.0 85.0 PSI 73 73 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 PRO N 1.0 68.6 189.0 PSI 74 74 A 23 PRO N A 23 PRO CA A 23 PRO C A 24 ARG N 1.0 -295.0 5.0 PSI 75 75 A 23 PRO N A 23 PRO CA A 23 PRO C A 24 ARG N 1.0 -55.0 195.0 PSI 76 76 A 23 PRO C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 45.0 315.0 PHI 77 77 A 23 PRO C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -185.0 75.0 PHI 78 78 A 23 PRO C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -120.0 -20.0 PHI 79 79 A 23 PRO C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -69.9 -41.1 PHI 80 80 A 24 ARG N A 24 ARG CA A 24 ARG CB A 24 ARG CG 1.0 25.0 335.0 CHI1 81 81 A 24 ARG N A 24 ARG CA A 24 ARG CB A 24 ARG CG 1.0 -205.0 95.0 CHI1 82 82 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 TRP N 1.0 -85.0 195.0 PSI 83 83 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 TRP N 1.0 -100.0 0.0 PSI 84 84 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 TRP N 1.0 -52.5 -23.9 PSI 85 85 A 24 ARG C A 25 TRP N A 25 TRP CA A 25 TRP C 1.0 45.0 315.0 PHI 86 86 A 24 ARG C A 25 TRP N A 25 TRP CA A 25 TRP C 1.0 -185.0 75.0 PHI 87 87 A 24 ARG C A 25 TRP N A 25 TRP CA A 25 TRP C 1.0 -113.5 -32.1 PHI 88 88 A 25 TRP N A 25 TRP CA A 25 TRP CB A 25 TRP CG 1.0 35.0 325.0 CHI1 89 89 A 25 TRP N A 25 TRP CA A 25 TRP CB A 25 TRP CG 1.0 -205.0 85.0 CHI1 90 90 A 25 TRP N A 25 TRP CA A 25 TRP C A 26 LEU N 1.0 -85.0 195.0 PSI 91 91 A 25 TRP N A 25 TRP CA A 25 TRP C A 26 LEU N 1.0 -62.4 17.2 PSI 92 92 A 27 LYS C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 45.0 315.0 PHI 93 93 A 27 LYS C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -185.0 75.0 PHI 94 94 A 27 LYS C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -120.0 -20.0 PHI 95 95 A 27 LYS C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -69.7 -49.7 PHI 96 96 A 28 GLU N A 28 GLU CA A 28 GLU CB A 28 GLU CG 1.0 25.0 335.0 CHI1 97 97 A 28 GLU N A 28 GLU CA A 28 GLU CB A 28 GLU CG 1.0 -205.0 95.0 CHI1 98 98 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 ALA N 1.0 -85.0 125.0 PSI 99 99 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 ALA N 1.0 -100.0 0.0 PSI 100 100 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 ALA N 1.0 -51.6 -31.6 PSI 101 101 A 35 LYS C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 45.0 315.0 PHI 102 102 A 35 LYS C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -185.0 75.0 PHI 103 103 A 35 LYS C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -68.3 -46.1 PHI 104 104 A 36 LYS N A 36 LYS CA A 36 LYS CB A 36 LYS CG 1.0 25.0 335.0 CHI1 105 105 A 36 LYS N A 36 LYS CA A 36 LYS CB A 36 LYS CG 1.0 -205.0 95.0 CHI1 106 106 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 GLU N 1.0 -275.0 35.0 PSI 107 107 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 GLU N 1.0 -85.0 205.0 PSI 108 108 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 GLU N 1.0 -60.0 -28.8 PSI 109 109 A 36 LYS C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 45.0 315.0 PHI 110 110 A 36 LYS C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -185.0 75.0 PHI 111 111 A 36 LYS C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -120.0 -20.0 PHI 112 112 A 36 LYS C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -76.9 -47.5 PHI 113 113 A 37 GLU N A 37 GLU CA A 37 GLU CB A 37 GLU CG 1.0 25.0 335.0 CHI1 114 114 A 37 GLU N A 37 GLU CA A 37 GLU CB A 37 GLU CG 1.0 -205.0 95.0 CHI1 115 115 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 ASP N 1.0 -85.0 155.0 PSI 116 116 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 ASP N 1.0 -100.0 0.0 PSI 117 117 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 ASP N 1.0 -54.7 -29.3 PSI 118 118 A 46 GLU C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -120.0 80.0 PHI 119 119 A 29 ALA C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -120.0 -20.0 PHI 120 120 A 29 ALA C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -79.0 -54.6 PHI 121 121 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 LEU N 1.0 -100.0 0.0 PSI 122 122 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 LEU N 1.0 -49.1 -22.1 PSI 123 123 A 6 VAL C A 7 TYR N A 7 TYR CA A 7 TYR C 1.0 -200.0 -80.0 PHI 124 124 A 7 TYR N A 7 TYR CA A 7 TYR C A 8 TYR N 1.0 40.0 220.0 PSI 125 125 A 37 GLU C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -120.0 -20.0 PHI 126 126 A 37 GLU C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -76.8 -56.4 PHI 127 127 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 PHE N 1.0 -100.0 0.0 PSI 128 128 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 PHE N 1.0 -50.0 -16.8 PSI 129 129 A 26 LEU C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -120.0 -20.0 PHI 130 130 A 26 LEU C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -70.9 -50.9 PHI 131 131 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 GLU N 1.0 -100.0 0.0 PSI 132 132 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 GLU N 1.0 -59.0 -20.6 PSI 133 133 A 14 GLN C A 15 THR N A 15 THR CA A 15 THR C 1.0 -200.0 -80.0 PHI 134 134 A 14 GLN C A 15 THR N A 15 THR CA A 15 THR C 1.0 -182.3 -107.9 PHI 135 135 A 15 THR N A 15 THR CA A 15 THR C A 16 TRP N 1.0 40.0 220.0 PSI 136 136 A 15 THR N A 15 THR CA A 15 THR C A 16 TRP N 1.0 134.6 176.6 PSI 137 137 A 9 ARG C A 10 ASN N A 10 ASN CA A 10 ASN C 1.0 -200.0 -80.0 PHI 138 138 A 9 ARG C A 10 ASN N A 10 ASN CA A 10 ASN C 1.0 -147.6 -50.6 PHI 139 139 A 10 ASN N A 10 ASN CA A 10 ASN C A 11 GLU N 1.0 40.0 220.0 PSI 140 140 A 10 ASN N A 10 ASN CA A 10 ASN C A 11 GLU N 1.0 142.6 206.8 PSI 141 141 A 28 GLU C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -120.0 -20.0 PHI 142 142 A 28 GLU C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -75.4 -52.6 PHI 143 143 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 LEU N 1.0 -100.0 0.0 PSI 144 144 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 LEU N 1.0 -56.2 -27.8 PSI 145 145 A 5 GLY C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -200.0 -80.0 PHI 146 146 A 5 GLY C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -135.8 -78.6 PHI 147 147 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 TYR N 1.0 40.0 220.0 PSI 148 148 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 TYR N 1.0 129.2 179.8 PSI 149 149 A 18 GLY C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -200.0 -80.0 PHI 150 150 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 GLY N 1.0 40.0 220.0 PSI 151 151 A 30 LEU C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -120.0 -20.0 PHI 152 152 A 30 LEU C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -79.0 -57.2 PHI 153 153 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ASN N 1.0 -100.0 0.0 PSI 154 154 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ASN N 1.0 -50.6 -7.6 PSI 155 155 A 1 ASN C A 2 SER N A 2 SER CA A 2 SER C 1.0 -156.0 -36.0 PHI 156 156 A 2 SER N A 2 SER CA A 2 SER C A 3 SER N 1.0 -100.0 20.0 PSI 157 157 A 2 SER C A 3 SER N A 3 SER CA A 3 SER C 1.0 -131.0 -11.0 PHI 158 158 A 3 SER N A 3 SER CA A 3 SER C A 4 LYS N 1.0 14.0 134.0 PSI 159 159 A 3 SER C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -179.0 -59.0 PHI 160 160 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 GLY N 1.0 80.9 180.9 PSI 161 161 A 7 TYR C A 8 TYR N A 8 TYR CA A 8 TYR C 1.0 -158.1 -88.7 PHI 162 162 A 8 TYR N A 8 TYR CA A 8 TYR C A 9 ARG N 1.0 112.8 172.0 PSI 163 163 A 8 TYR C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -154.8 -110.4 PHI 164 164 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 ASN N 1.0 124.6 159.8 PSI 165 165 A 11 GLU C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -100.6 -71.2 PHI 166 166 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 GLY N 1.0 -20.7 15.7 PSI 167 167 A 12 GLU C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 64.3 127.3 PHI 168 168 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 GLN N 1.0 -18.9 26.9 PSI 169 169 A 13 GLY C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -142.1 -36.9 PHI 170 170 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 THR N 1.0 118.2 182.8 PSI 171 171 A 25 TRP C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -86.3 -52.5 PHI 172 172 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 LYS N 1.0 -55.4 -16.2 PSI 173 173 A 31 LEU C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -109.6 -64.0 PHI 174 174 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 GLY N 1.0 -21.9 20.5 PSI 175 175 A 32 ASN C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 68.1 112.5 PHI 176 176 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 MET N 1.0 0.2 20.2 PSI 177 177 A 38 ASP C A 39 PHE N A 39 PHE CA A 39 PHE C 1.0 -131.9 -81.1 PHI 178 178 A 39 PHE N A 39 PHE CA A 39 PHE C A 40 LEU N 1.0 -44.4 44.8 PSI 179 179 A 39 PHE C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -96.8 -50.2 PHI 180 180 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 VAL N 1.0 76.0 168.0 PSI 181 181 A 40 LEU C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -155.9 -63.7 PHI 182 182 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 LYS N 1.0 93.7 159.9 PSI 183 183 A 41 VAL C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -173.4 -43.6 PHI 184 184 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 ASP N 1.0 112.8 171.6 PSI 185 185 A 44 THR N A 44 THR CA A 44 THR C A 45 GLU N 1.0 117.0 157.0 PSI 186 186 A 43 ASP C A 44 THR N A 44 THR CA A 44 THR C 1.0 -147.6 -97.6 PHI 187 187 A 44 THR C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 35.0 85.0 PHI 188 188 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 GLU N 1.0 -15.0 85.0 PSI 189 189 A 45 GLU C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -147.9 -85.5 PHI 190 190 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 GLU N 1.0 106.9 150.9 PSI stop_ save_ save_CNS/XPLOR_dihedral_8 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_8 _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 B 1 DG C3' B 1 DG O3' B 2 DC P B 2 DC O5' 1.0 -108.0 -99.0 ZETA 2 2 B 2 DC C3' B 2 DC O3' B 3 DG P B 3 DG O5' 1.0 -108.0 -99.0 ZETA 3 3 B 3 DG C3' B 3 DG O3' B 4 DA P B 4 DA O5' 1.0 -108.0 -99.0 ZETA 4 4 B 4 DA C3' B 4 DA O3' B 5 DT P B 5 DT O5' 1.0 -108.0 -99.0 ZETA 5 5 B 5 DT C3' B 5 DT O3' B 6 DA P B 6 DA O5' 1.0 -108.0 -99.0 ZETA 6 6 B 6 DA C3' B 6 DA O3' B 7 DA P B 7 DA O5' 1.0 -108.0 -99.0 ZETA 7 7 B 7 DA C3' B 7 DA O3' B 8 DT P B 8 DT O5' 1.0 -108.0 -99.0 ZETA 8 8 B 8 DT C3' B 8 DT O3' B 9 DT P B 9 DT O5' 1.0 -108.0 -99.0 ZETA 9 9 B 9 DT C3' B 9 DT O3' B 10 DG P B 10 DG O5' 1.0 -108.0 -99.0 ZETA 10 10 B 10 DG C3' B 10 DG O3' B 11 DA P B 11 DA O5' 1.0 -108.0 -99.0 ZETA 11 11 B 11 DA C3' B 11 DA O3' B 12 DT P B 12 DT O5' 1.0 -108.0 -99.0 ZETA 12 12 B 12 DT C3' B 12 DT O3' B 13 DA P B 13 DA O5' 1.0 -108.0 -99.0 ZETA 13 13 B 13 DA C3' B 13 DA O3' B 14 DG P B 14 DG O5' 1.0 -108.0 -99.0 ZETA 14 14 B 14 DG C3' B 14 DG O3' B 15 DG P B 15 DG O5' 1.0 -108.0 -99.0 ZETA 15 15 C 16 DC C3' C 16 DC O3' C 17 DC P C 17 DC O5' 1.0 -112.5 -94.5 ZETA 16 16 C 17 DC C3' C 17 DC O3' C 18 DT P C 18 DT O5' 1.0 -108.0 -99.0 ZETA 17 17 C 18 DT C3' C 18 DT O3' C 19 DA P C 19 DA O5' 1.0 -108.0 -99.0 ZETA 18 18 C 19 DA C3' C 19 DA O3' C 20 DT P C 20 DT O5' 1.0 -108.0 -99.0 ZETA 19 19 C 20 DT C3' C 20 DT O3' C 21 DC P C 21 DC O5' 1.0 -108.0 -99.0 ZETA 20 20 C 21 DC C3' C 21 DC O3' C 22 DA P C 22 DA O5' 1.0 -108.0 -99.0 ZETA 21 21 C 22 DA C3' C 22 DA O3' C 23 DA P C 23 DA O5' 1.0 -108.0 -99.0 ZETA 22 22 C 23 DA C3' C 23 DA O3' C 24 DT P C 24 DT O5' 1.0 -108.0 -99.0 ZETA 23 23 C 24 DT C3' C 24 DT O3' C 25 DT P C 25 DT O5' 1.0 -108.0 -99.0 ZETA 24 24 C 25 DT C3' C 25 DT O3' C 26 DA P C 26 DA O5' 1.0 -108.0 -99.0 ZETA 25 25 C 26 DA C3' C 26 DA O3' C 27 DT P C 27 DT O5' 1.0 -108.0 -99.0 ZETA 26 26 C 27 DT C3' C 27 DT O3' C 28 DC P C 28 DC O5' 1.0 -108.0 -99.0 ZETA 27 27 C 28 DC C3' C 28 DC O3' C 29 DG P C 29 DG O5' 1.0 -108.0 -99.0 ZETA 28 28 C 29 DG C3' C 29 DG O3' C 30 DC P C 30 DC O5' 1.0 -108.0 -99.0 ZETA 29 29 B 1 DG O4' B 1 DG C1' B 1 DG N9 B 1 DG C4 1.0 90.0 270.0 CHI 30 30 B 2 DC O4' B 2 DC C1' B 2 DC N1 B 2 DC C2 1.0 90.0 270.0 CHI 31 31 B 3 DG O4' B 3 DG C1' B 3 DG N9 B 3 DG C4 1.0 90.0 270.0 CHI 32 32 B 4 DA O4' B 4 DA C1' B 4 DA N9 B 4 DA C4 1.0 90.0 270.0 CHI 33 33 B 5 DT O4' B 5 DT C1' B 5 DT N1 B 5 DT C2 1.0 90.0 270.0 CHI 34 34 B 6 DA O4' B 6 DA C1' B 6 DA N9 B 6 DA C4 1.0 90.0 270.0 CHI 35 35 B 7 DA O4' B 7 DA C1' B 7 DA N9 B 7 DA C4 1.0 90.0 270.0 CHI 36 36 B 8 DT O4' B 8 DT C1' B 8 DT N1 B 8 DT C2 1.0 90.0 270.0 CHI 37 37 B 9 DT O4' B 9 DT C1' B 9 DT N1 B 9 DT C2 1.0 90.0 270.0 CHI 38 38 B 10 DG O4' B 10 DG C1' B 10 DG N9 B 10 DG C4 1.0 90.0 270.0 CHI 39 39 B 11 DA O4' B 11 DA C1' B 11 DA N9 B 11 DA C4 1.0 90.0 270.0 CHI 40 40 B 12 DT O4' B 12 DT C1' B 12 DT N1 B 12 DT C2 1.0 90.0 270.0 CHI 41 41 B 13 DA O4' B 13 DA C1' B 13 DA N9 B 13 DA C4 1.0 90.0 270.0 CHI 42 42 B 14 DG O4' B 14 DG C1' B 14 DG N9 B 14 DG C4 1.0 90.0 270.0 CHI 43 43 B 15 DG O4' B 15 DG C1' B 15 DG N9 B 15 DG C4 1.0 90.0 270.0 CHI 44 44 C 16 DC O4' C 16 DC C1' C 16 DC N1 C 16 DC C2 1.0 90.0 270.0 CHI 45 45 C 17 DC O4' C 17 DC C1' C 17 DC N1 C 17 DC C2 1.0 90.0 270.0 CHI 46 46 C 18 DT O4' C 18 DT C1' C 18 DT N1 C 18 DT C2 1.0 90.0 270.0 CHI 47 47 C 19 DA O4' C 19 DA C1' C 19 DA N9 C 19 DA C4 1.0 90.0 270.0 CHI 48 48 C 20 DT O4' C 20 DT C1' C 20 DT N1 C 20 DT C2 1.0 90.0 270.0 CHI 49 49 C 21 DC O4' C 21 DC C1' C 21 DC N1 C 21 DC C2 1.0 -170.0 -70.0 CHI 50 50 C 22 DA O4' C 22 DA C1' C 22 DA N9 C 22 DA C4 1.0 90.0 270.0 CHI 51 51 C 23 DA O4' C 23 DA C1' C 23 DA N9 C 23 DA C4 1.0 90.0 270.0 CHI 52 52 C 24 DT O4' C 24 DT C1' C 24 DT N1 C 24 DT C2 1.0 90.0 270.0 CHI 53 53 C 25 DT O4' C 25 DT C1' C 25 DT N1 C 25 DT C2 1.0 -170.0 -70.0 CHI 54 54 C 26 DA O4' C 26 DA C1' C 26 DA N9 C 26 DA C4 1.0 90.0 270.0 CHI 55 55 C 27 DT O4' C 27 DT C1' C 27 DT N1 C 27 DT C2 1.0 90.0 270.0 CHI 56 56 C 28 DC O4' C 28 DC C1' C 28 DC N1 C 28 DC C2 1.0 90.0 270.0 CHI 57 57 C 29 DG O4' C 29 DG C1' C 29 DG N9 C 29 DG C4 1.0 90.0 270.0 CHI 58 58 C 30 DC O4' C 30 DC C1' C 30 DC N1 C 30 DC C2 1.0 90.0 270.0 CHI 59 59 B 1 DG O3' B 2 DC P B 2 DC O5' B 2 DC C5' 1.0 -70.0 -57.0 ALPHA 60 60 B 2 DC O3' B 3 DG P B 3 DG O5' B 3 DG C5' 1.0 -70.0 -57.0 ALPHA 61 61 B 3 DG O3' B 4 DA P B 4 DA O5' B 4 DA C5' 1.0 -70.0 -57.0 ALPHA 62 62 B 4 DA O3' B 5 DT P B 5 DT O5' B 5 DT C5' 1.0 -70.0 -57.0 ALPHA 63 63 B 5 DT O3' B 6 DA P B 6 DA O5' B 6 DA C5' 1.0 -70.0 -57.0 ALPHA 64 64 B 6 DA O3' B 7 DA P B 7 DA O5' B 7 DA C5' 1.0 -70.0 -57.0 ALPHA 65 65 B 7 DA O3' B 8 DT P B 8 DT O5' B 8 DT C5' 1.0 -70.0 -57.0 ALPHA 66 66 B 8 DT O3' B 9 DT P B 9 DT O5' B 9 DT C5' 1.0 -70.0 -57.0 ALPHA 67 67 B 9 DT O3' B 10 DG P B 10 DG O5' B 10 DG C5' 1.0 -70.0 -57.0 ALPHA 68 68 B 10 DG O3' B 11 DA P B 11 DA O5' B 11 DA C5' 1.0 -70.0 -57.0 ALPHA 69 69 B 11 DA O3' B 12 DT P B 12 DT O5' B 12 DT C5' 1.0 -70.0 -57.0 ALPHA 70 70 B 12 DT O3' B 13 DA P B 13 DA O5' B 13 DA C5' 1.0 -70.0 -57.0 ALPHA 71 71 B 13 DA O3' B 14 DG P B 14 DG O5' B 14 DG C5' 1.0 -70.0 -57.0 ALPHA 72 72 B 14 DG O3' B 15 DG P B 15 DG O5' B 15 DG C5' 1.0 -70.0 -57.0 ALPHA 73 73 C 16 DC O3' C 17 DC P C 17 DC O5' C 17 DC C5' 1.0 -70.0 -57.0 ALPHA 74 74 C 17 DC O3' C 18 DT P C 18 DT O5' C 18 DT C5' 1.0 -70.0 -57.0 ALPHA 75 75 C 18 DT O3' C 19 DA P C 19 DA O5' C 19 DA C5' 1.0 -70.0 -57.0 ALPHA 76 76 C 19 DA O3' C 20 DT P C 20 DT O5' C 20 DT C5' 1.0 -70.0 -57.0 ALPHA 77 77 C 20 DT O3' C 21 DC P C 21 DC O5' C 21 DC C5' 1.0 -70.0 -57.0 ALPHA 78 78 C 21 DC O3' C 22 DA P C 22 DA O5' C 22 DA C5' 1.0 -70.0 -57.0 ALPHA 79 79 C 22 DA O3' C 23 DA P C 23 DA O5' C 23 DA C5' 1.0 -70.0 -57.0 ALPHA 80 80 C 23 DA O3' C 24 DT P C 24 DT O5' C 24 DT C5' 1.0 -70.0 -57.0 ALPHA 81 81 C 24 DT O3' C 25 DT P C 25 DT O5' C 25 DT C5' 1.0 -70.0 -57.0 ALPHA 82 82 C 25 DT O3' C 26 DA P C 26 DA O5' C 26 DA C5' 1.0 -70.0 -57.0 ALPHA 83 83 C 26 DA O3' C 27 DT P C 27 DT O5' C 27 DT C5' 1.0 -70.0 -57.0 ALPHA 84 84 C 27 DT O3' C 28 DC P C 28 DC O5' C 28 DC C5' 1.0 -70.0 -57.0 ALPHA 85 85 C 28 DC O3' C 29 DG P C 29 DG O5' C 29 DG C5' 1.0 -70.0 -57.0 ALPHA 86 86 C 29 DG O3' C 30 DC P C 30 DC O5' C 30 DC C5' 1.0 -70.0 -57.0 ALPHA 87 87 B 1 DG P B 1 DG O5' B 1 DG C5' B 1 DG C4' 1.0 169.0 183.0 BETA 88 88 B 2 DC P B 2 DC O5' B 2 DC C5' B 2 DC C4' 1.0 169.0 183.0 BETA 89 89 B 3 DG P B 3 DG O5' B 3 DG C5' B 3 DG C4' 1.0 169.0 183.0 BETA 90 90 B 4 DA P B 4 DA O5' B 4 DA C5' B 4 DA C4' 1.0 169.0 183.0 BETA 91 91 B 5 DT P B 5 DT O5' B 5 DT C5' B 5 DT C4' 1.0 169.0 183.0 BETA 92 92 B 6 DA P B 6 DA O5' B 6 DA C5' B 6 DA C4' 1.0 169.0 183.0 BETA 93 93 B 7 DA P B 7 DA O5' B 7 DA C5' B 7 DA C4' 1.0 169.0 183.0 BETA 94 94 B 8 DT P B 8 DT O5' B 8 DT C5' B 8 DT C4' 1.0 169.0 183.0 BETA 95 95 B 9 DT P B 9 DT O5' B 9 DT C5' B 9 DT C4' 1.0 169.0 183.0 BETA 96 96 B 10 DG P B 10 DG O5' B 10 DG C5' B 10 DG C4' 1.0 169.0 183.0 BETA 97 97 B 11 DA P B 11 DA O5' B 11 DA C5' B 11 DA C4' 1.0 169.0 183.0 BETA 98 98 B 12 DT P B 12 DT O5' B 12 DT C5' B 12 DT C4' 1.0 169.0 183.0 BETA 99 99 B 13 DA P B 13 DA O5' B 13 DA C5' B 13 DA C4' 1.0 169.0 183.0 BETA 100 100 B 14 DG P B 14 DG O5' B 14 DG C5' B 14 DG C4' 1.0 169.0 183.0 BETA 101 101 B 15 DG P B 15 DG O5' B 15 DG C5' B 15 DG C4' 1.0 169.0 183.0 BETA 102 102 C 16 DC P C 16 DC O5' C 16 DC C5' C 16 DC C4' 1.0 169.0 183.0 BETA 103 103 C 17 DC P C 17 DC O5' C 17 DC C5' C 17 DC C4' 1.0 169.0 183.0 BETA 104 104 C 18 DT P C 18 DT O5' C 18 DT C5' C 18 DT C4' 1.0 169.0 183.0 BETA 105 105 C 19 DA P C 19 DA O5' C 19 DA C5' C 19 DA C4' 1.0 169.0 183.0 BETA 106 106 C 20 DT P C 20 DT O5' C 20 DT C5' C 20 DT C4' 1.0 169.0 183.0 BETA 107 107 C 21 DC P C 21 DC O5' C 21 DC C5' C 21 DC C4' 1.0 169.0 183.0 BETA 108 108 C 22 DA P C 22 DA O5' C 22 DA C5' C 22 DA C4' 1.0 169.0 183.0 BETA 109 109 C 23 DA P C 23 DA O5' C 23 DA C5' C 23 DA C4' 1.0 169.0 183.0 BETA 110 110 C 24 DT P C 24 DT O5' C 24 DT C5' C 24 DT C4' 1.0 169.0 183.0 BETA 111 111 C 25 DT P C 25 DT O5' C 25 DT C5' C 25 DT C4' 1.0 169.0 183.0 BETA 112 112 C 26 DA P C 26 DA O5' C 26 DA C5' C 26 DA C4' 1.0 169.0 183.0 BETA 113 113 C 27 DT P C 27 DT O5' C 27 DT C5' C 27 DT C4' 1.0 169.0 183.0 BETA 114 114 C 28 DC P C 28 DC O5' C 28 DC C5' C 28 DC C4' 1.0 169.0 183.0 BETA 115 115 C 29 DG P C 29 DG O5' C 29 DG C5' C 29 DG C4' 1.0 169.0 183.0 BETA 116 116 C 30 DC P C 30 DC O5' C 30 DC C5' C 30 DC C4' 1.0 169.0 183.0 BETA 117 117 B 1 DG C4' B 1 DG C3' B 1 DG O3' B 2 DC P 1.0 -175.0 -168.0 EPSILON 118 118 B 2 DC C4' B 2 DC C3' B 2 DC O3' B 3 DG P 1.0 -175.0 -168.0 EPSILON 119 119 B 3 DG C4' B 3 DG C3' B 3 DG O3' B 4 DA P 1.0 -175.0 -168.0 EPSILON 120 120 B 4 DA C4' B 4 DA C3' B 4 DA O3' B 5 DT P 1.0 -175.0 -168.0 EPSILON 121 121 B 5 DT C4' B 5 DT C3' B 5 DT O3' B 6 DA P 1.0 -175.0 -168.0 EPSILON 122 122 B 6 DA C4' B 6 DA C3' B 6 DA O3' B 7 DA P 1.0 -175.0 -168.0 EPSILON 123 123 B 7 DA C4' B 7 DA C3' B 7 DA O3' B 8 DT P 1.0 -175.0 -168.0 EPSILON 124 124 B 8 DT C4' B 8 DT C3' B 8 DT O3' B 9 DT P 1.0 -175.0 -168.0 EPSILON 125 125 B 9 DT C4' B 9 DT C3' B 9 DT O3' B 10 DG P 1.0 -175.0 -168.0 EPSILON 126 126 B 10 DG C4' B 10 DG C3' B 10 DG O3' B 11 DA P 1.0 -175.0 -168.0 EPSILON 127 127 B 11 DA C4' B 11 DA C3' B 11 DA O3' B 12 DT P 1.0 -175.0 -168.0 EPSILON 128 128 B 12 DT C4' B 12 DT C3' B 12 DT O3' B 13 DA P 1.0 -175.0 -168.0 EPSILON 129 129 B 13 DA C4' B 13 DA C3' B 13 DA O3' B 14 DG P 1.0 -175.0 -168.0 EPSILON 130 130 B 14 DG C4' B 14 DG C3' B 14 DG O3' B 15 DG P 1.0 -175.0 -168.0 EPSILON 131 131 C 16 DC C4' C 16 DC C3' C 16 DC O3' C 17 DC P 1.0 -175.0 -168.0 EPSILON 132 132 C 17 DC C4' C 17 DC C3' C 17 DC O3' C 18 DT P 1.0 -175.0 -168.0 EPSILON 133 133 C 18 DT C4' C 18 DT C3' C 18 DT O3' C 19 DA P 1.0 -175.0 -168.0 EPSILON 134 134 C 19 DA C4' C 19 DA C3' C 19 DA O3' C 20 DT P 1.0 -175.0 -168.0 EPSILON 135 135 C 20 DT C4' C 20 DT C3' C 20 DT O3' C 21 DC P 1.0 -175.0 -168.0 EPSILON 136 136 C 21 DC C4' C 21 DC C3' C 21 DC O3' C 22 DA P 1.0 -175.0 -168.0 EPSILON 137 137 C 22 DA C4' C 22 DA C3' C 22 DA O3' C 23 DA P 1.0 -175.0 -168.0 EPSILON 138 138 C 23 DA C4' C 23 DA C3' C 23 DA O3' C 24 DT P 1.0 -175.0 -168.0 EPSILON 139 139 C 24 DT C4' C 24 DT C3' C 24 DT O3' C 25 DT P 1.0 -175.0 -168.0 EPSILON 140 140 C 25 DT C4' C 25 DT C3' C 25 DT O3' C 26 DA P 1.0 -175.0 -168.0 EPSILON 141 141 C 26 DA C4' C 26 DA C3' C 26 DA O3' C 27 DT P 1.0 -175.0 -168.0 EPSILON 142 142 C 27 DT C4' C 27 DT C3' C 27 DT O3' C 28 DC P 1.0 -175.0 -168.0 EPSILON 143 143 C 28 DC C4' C 28 DC C3' C 28 DC O3' C 29 DG P 1.0 -175.0 -168.0 EPSILON 144 144 C 29 DG C4' C 29 DG C3' C 29 DG O3' C 30 DC P 1.0 -175.0 -168.0 EPSILON 145 145 B 1 DG O5' B 1 DG C5' B 1 DG C4' B 1 DG C3' 1.0 44.0 58.0 GAMMA 146 146 B 2 DC O5' B 2 DC C5' B 2 DC C4' B 2 DC C3' 1.0 44.0 58.0 GAMMA 147 147 B 3 DG O5' B 3 DG C5' B 3 DG C4' B 3 DG C3' 1.0 44.0 58.0 GAMMA 148 148 B 4 DA O5' B 4 DA C5' B 4 DA C4' B 4 DA C3' 1.0 44.0 58.0 GAMMA 149 149 B 5 DT O5' B 5 DT C5' B 5 DT C4' B 5 DT C3' 1.0 44.0 58.0 GAMMA 150 150 B 6 DA O5' B 6 DA C5' B 6 DA C4' B 6 DA C3' 1.0 44.0 58.0 GAMMA 151 151 B 7 DA O5' B 7 DA C5' B 7 DA C4' B 7 DA C3' 1.0 44.0 58.0 GAMMA 152 152 B 8 DT O5' B 8 DT C5' B 8 DT C4' B 8 DT C3' 1.0 44.0 58.0 GAMMA 153 153 B 9 DT O5' B 9 DT C5' B 9 DT C4' B 9 DT C3' 1.0 44.0 58.0 GAMMA 154 154 B 10 DG O5' B 10 DG C5' B 10 DG C4' B 10 DG C3' 1.0 44.0 58.0 GAMMA 155 155 B 11 DA O5' B 11 DA C5' B 11 DA C4' B 11 DA C3' 1.0 44.0 58.0 GAMMA 156 156 B 12 DT O5' B 12 DT C5' B 12 DT C4' B 12 DT C3' 1.0 44.0 58.0 GAMMA 157 157 B 13 DA O5' B 13 DA C5' B 13 DA C4' B 13 DA C3' 1.0 44.0 58.0 GAMMA 158 158 B 14 DG O5' B 14 DG C5' B 14 DG C4' B 14 DG C3' 1.0 44.0 58.0 GAMMA 159 159 B 15 DG O5' B 15 DG C5' B 15 DG C4' B 15 DG C3' 1.0 44.0 58.0 GAMMA 160 160 C 16 DC O5' C 16 DC C5' C 16 DC C4' C 16 DC C3' 1.0 44.0 58.0 GAMMA 161 161 C 17 DC O5' C 17 DC C5' C 17 DC C4' C 17 DC C3' 1.0 44.0 58.0 GAMMA 162 162 C 18 DT O5' C 18 DT C5' C 18 DT C4' C 18 DT C3' 1.0 44.0 58.0 GAMMA 163 163 C 19 DA O5' C 19 DA C5' C 19 DA C4' C 19 DA C3' 1.0 44.0 58.0 GAMMA 164 164 C 20 DT O5' C 20 DT C5' C 20 DT C4' C 20 DT C3' 1.0 44.0 58.0 GAMMA 165 165 C 21 DC O5' C 21 DC C5' C 21 DC C4' C 21 DC C3' 1.0 44.0 58.0 GAMMA 166 166 C 22 DA O5' C 22 DA C5' C 22 DA C4' C 22 DA C3' 1.0 44.0 58.0 GAMMA 167 167 C 23 DA O5' C 23 DA C5' C 23 DA C4' C 23 DA C3' 1.0 44.0 58.0 GAMMA 168 168 C 24 DT O5' C 24 DT C5' C 24 DT C4' C 24 DT C3' 1.0 44.0 58.0 GAMMA 169 169 C 25 DT O5' C 25 DT C5' C 25 DT C4' C 25 DT C3' 1.0 44.0 58.0 GAMMA 170 170 C 26 DA O5' C 26 DA C5' C 26 DA C4' C 26 DA C3' 1.0 44.0 58.0 GAMMA 171 171 C 27 DT O5' C 27 DT C5' C 27 DT C4' C 27 DT C3' 1.0 44.0 58.0 GAMMA 172 172 C 28 DC O5' C 28 DC C5' C 28 DC C4' C 28 DC C3' 1.0 44.0 58.0 GAMMA 173 173 C 29 DG O5' C 29 DG C5' C 29 DG C4' C 29 DG C3' 1.0 44.0 58.0 GAMMA 174 174 C 30 DC O5' C 30 DC C5' C 30 DC C4' C 30 DC C3' 1.0 44.0 58.0 GAMMA 175 175 B 1 DG C5' B 1 DG C4' B 1 DG C3' B 1 DG O3' 1.0 115.0 141.0 DELTA 176 176 B 2 DC C5' B 2 DC C4' B 2 DC C3' B 2 DC O3' 1.0 115.0 141.0 DELTA 177 177 B 3 DG C5' B 3 DG C4' B 3 DG C3' B 3 DG O3' 1.0 115.0 141.0 DELTA 178 178 B 4 DA C5' B 4 DA C4' B 4 DA C3' B 4 DA O3' 1.0 115.0 141.0 DELTA 179 179 B 5 DT C5' B 5 DT C4' B 5 DT C3' B 5 DT O3' 1.0 115.0 141.0 DELTA 180 180 B 6 DA C5' B 6 DA C4' B 6 DA C3' B 6 DA O3' 1.0 115.0 141.0 DELTA 181 181 B 7 DA C5' B 7 DA C4' B 7 DA C3' B 7 DA O3' 1.0 115.0 141.0 DELTA 182 182 B 8 DT C5' B 8 DT C4' B 8 DT C3' B 8 DT O3' 1.0 115.0 141.0 DELTA 183 183 B 9 DT C5' B 9 DT C4' B 9 DT C3' B 9 DT O3' 1.0 115.0 141.0 DELTA 184 184 B 10 DG C5' B 10 DG C4' B 10 DG C3' B 10 DG O3' 1.0 115.0 141.0 DELTA 185 185 B 11 DA C5' B 11 DA C4' B 11 DA C3' B 11 DA O3' 1.0 115.0 141.0 DELTA 186 186 B 12 DT C5' B 12 DT C4' B 12 DT C3' B 12 DT O3' 1.0 115.0 141.0 DELTA 187 187 B 13 DA C5' B 13 DA C4' B 13 DA C3' B 13 DA O3' 1.0 115.0 141.0 DELTA 188 188 B 14 DG C5' B 14 DG C4' B 14 DG C3' B 14 DG O3' 1.0 115.0 141.0 DELTA 189 189 B 15 DG C5' B 15 DG C4' B 15 DG C3' B 15 DG O3' 1.0 115.0 141.0 DELTA 190 190 C 16 DC C5' C 16 DC C4' C 16 DC C3' C 16 DC O3' 1.0 115.0 141.0 DELTA 191 191 C 17 DC C5' C 17 DC C4' C 17 DC C3' C 17 DC O3' 1.0 115.0 141.0 DELTA 192 192 C 18 DT C5' C 18 DT C4' C 18 DT C3' C 18 DT O3' 1.0 115.0 141.0 DELTA 193 193 C 19 DA C5' C 19 DA C4' C 19 DA C3' C 19 DA O3' 1.0 115.0 141.0 DELTA 194 194 C 20 DT C5' C 20 DT C4' C 20 DT C3' C 20 DT O3' 1.0 115.0 141.0 DELTA 195 195 C 21 DC C5' C 21 DC C4' C 21 DC C3' C 21 DC O3' 1.0 115.0 141.0 DELTA 196 196 C 22 DA C5' C 22 DA C4' C 22 DA C3' C 22 DA O3' 1.0 115.0 141.0 DELTA 197 197 C 23 DA C5' C 23 DA C4' C 23 DA C3' C 23 DA O3' 1.0 115.0 141.0 DELTA 198 198 C 24 DT C5' C 24 DT C4' C 24 DT C3' C 24 DT O3' 1.0 115.0 141.0 DELTA 199 199 C 25 DT C5' C 25 DT C4' C 25 DT C3' C 25 DT O3' 1.0 115.0 141.0 DELTA 200 200 C 26 DA C5' C 26 DA C4' C 26 DA C3' C 26 DA O3' 1.0 115.0 141.0 DELTA 201 201 C 27 DT C5' C 27 DT C4' C 27 DT C3' C 27 DT O3' 1.0 115.0 141.0 DELTA 202 202 C 28 DC C5' C 28 DC C4' C 28 DC C3' C 28 DC O3' 1.0 115.0 141.0 DELTA 203 203 C 29 DG C5' C 29 DG C4' C 29 DG C3' C 29 DG O3' 1.0 115.0 141.0 DELTA 204 204 C 30 DC C5' C 30 DC C4' C 30 DC C3' C 30 DC O3' 1.0 115.0 141.0 DELTA 205 205 B 1 DG C3' B 1 DG C2' B 1 DG C1' B 1 DG O4' 1.0 15.0 55.0 . 206 206 B 2 DC C3' B 2 DC C2' B 2 DC C1' B 2 DC O4' 1.0 15.0 55.0 . 207 207 B 3 DG C3' B 3 DG C2' B 3 DG C1' B 3 DG O4' 1.0 15.0 55.0 . 208 208 B 4 DA C3' B 4 DA C2' B 4 DA C1' B 4 DA O4' 1.0 15.0 55.0 . 209 209 B 5 DT C3' B 5 DT C2' B 5 DT C1' B 5 DT O4' 1.0 15.0 55.0 . 210 210 B 6 DA C3' B 6 DA C2' B 6 DA C1' B 6 DA O4' 1.0 15.0 55.0 . 211 211 B 7 DA C3' B 7 DA C2' B 7 DA C1' B 7 DA O4' 1.0 -30.0 50.0 . 212 212 B 8 DT C3' B 8 DT C2' B 8 DT C1' B 8 DT O4' 1.0 -30.0 50.0 . 213 213 B 9 DT C3' B 9 DT C2' B 9 DT C1' B 9 DT O4' 1.0 -30.0 50.0 . 214 214 B 10 DG C3' B 10 DG C2' B 10 DG C1' B 10 DG O4' 1.0 15.0 55.0 . 215 215 B 11 DA C3' B 11 DA C2' B 11 DA C1' B 11 DA O4' 1.0 15.0 55.0 . 216 216 B 12 DT C3' B 12 DT C2' B 12 DT C1' B 12 DT O4' 1.0 15.0 55.0 . 217 217 B 13 DA C3' B 13 DA C2' B 13 DA C1' B 13 DA O4' 1.0 -30.0 50.0 . 218 218 B 14 DG C3' B 14 DG C2' B 14 DG C1' B 14 DG O4' 1.0 -30.0 50.0 . 219 219 B 15 DG C3' B 15 DG C2' B 15 DG C1' B 15 DG O4' 1.0 -30.0 50.0 . 220 220 C 16 DC C3' C 16 DC C2' C 16 DC C1' C 16 DC O4' 1.0 -30.0 50.0 . 221 221 C 17 DC C3' C 17 DC C2' C 17 DC C1' C 17 DC O4' 1.0 -30.0 50.0 . 222 222 C 18 DT C3' C 18 DT C2' C 18 DT C1' C 18 DT O4' 1.0 -30.0 50.0 . 223 223 C 19 DA C3' C 19 DA C2' C 19 DA C1' C 19 DA O4' 1.0 15.0 55.0 . 224 224 C 20 DT C3' C 20 DT C2' C 20 DT C1' C 20 DT O4' 1.0 15.0 55.0 . 225 225 C 21 DC C3' C 21 DC C2' C 21 DC C1' C 21 DC O4' 1.0 -30.0 50.0 . 226 226 C 22 DA C3' C 22 DA C2' C 22 DA C1' C 22 DA O4' 1.0 -30.0 55.0 . 227 227 C 23 DA C3' C 23 DA C2' C 23 DA C1' C 23 DA O4' 1.0 15.0 55.0 . 228 228 C 24 DT C3' C 24 DT C2' C 24 DT C1' C 24 DT O4' 1.0 -30.0 50.0 . 229 229 C 25 DT C3' C 25 DT C2' C 25 DT C1' C 25 DT O4' 1.0 -30.0 50.0 . 230 230 C 26 DA C3' C 26 DA C2' C 26 DA C1' C 26 DA O4' 1.0 15.0 55.0 . 231 231 C 27 DT C3' C 27 DT C2' C 27 DT C1' C 27 DT O4' 1.0 -30.0 50.0 . 232 232 C 28 DC C3' C 28 DC C2' C 28 DC C1' C 28 DC O4' 1.0 15.0 55.0 . 233 233 C 29 DG C3' C 29 DG C2' C 29 DG C1' C 29 DG O4' 1.0 15.0 55.0 . 234 234 C 30 DC C3' C 30 DC C2' C 30 DC C1' C 30 DC O4' 1.0 15.0 55.0 . 235 235 B 1 DG C4' B 1 DG C3' B 1 DG C2' B 1 DG C1' 1.0 -55.0 -15.0 . 236 236 B 2 DC C4' B 2 DC C3' B 2 DC C2' B 2 DC C1' 1.0 -55.0 -15.0 . 237 237 B 3 DG C4' B 3 DG C3' B 3 DG C2' B 3 DG C1' 1.0 -55.0 -15.0 . 238 238 B 4 DA C4' B 4 DA C3' B 4 DA C2' B 4 DA C1' 1.0 -55.0 -15.0 . 239 239 B 5 DT C4' B 5 DT C3' B 5 DT C2' B 5 DT C1' 1.0 -55.0 -15.0 . 240 240 B 6 DA C4' B 6 DA C3' B 6 DA C2' B 6 DA C1' 1.0 -55.0 -15.0 . 241 241 B 7 DA C4' B 7 DA C3' B 7 DA C2' B 7 DA C1' 1.0 -55.0 55.0 . 242 242 B 8 DT C4' B 8 DT C3' B 8 DT C2' B 8 DT C1' 1.0 -55.0 55.0 . 243 243 B 9 DT C4' B 9 DT C3' B 9 DT C2' B 9 DT C1' 1.0 -55.0 55.0 . 244 244 B 10 DG C4' B 10 DG C3' B 10 DG C2' B 10 DG C1' 1.0 -55.0 -15.0 . 245 245 B 11 DA C4' B 11 DA C3' B 11 DA C2' B 11 DA C1' 1.0 -55.0 -15.0 . 246 246 B 12 DT C4' B 12 DT C3' B 12 DT C2' B 12 DT C1' 1.0 -55.0 -15.0 . 247 247 B 13 DA C4' B 13 DA C3' B 13 DA C2' B 13 DA C1' 1.0 -55.0 55.0 . 248 248 B 14 DG C4' B 14 DG C3' B 14 DG C2' B 14 DG C1' 1.0 -55.0 55.0 . 249 249 B 15 DG C4' B 15 DG C3' B 15 DG C2' B 15 DG C1' 1.0 -55.0 55.0 . 250 250 C 16 DC C4' C 16 DC C3' C 16 DC C2' C 16 DC C1' 1.0 -55.0 55.0 . 251 251 C 17 DC C4' C 17 DC C3' C 17 DC C2' C 17 DC C1' 1.0 -55.0 55.0 . 252 252 C 18 DT C4' C 18 DT C3' C 18 DT C2' C 18 DT C1' 1.0 -55.0 55.0 . 253 253 C 19 DA C4' C 19 DA C3' C 19 DA C2' C 19 DA C1' 1.0 -55.0 -15.0 . 254 254 C 20 DT C4' C 20 DT C3' C 20 DT C2' C 20 DT C1' 1.0 -55.0 -15.0 . 255 255 C 21 DC C4' C 21 DC C3' C 21 DC C2' C 21 DC C1' 1.0 -55.0 55.0 . 256 256 C 22 DA C4' C 22 DA C3' C 22 DA C2' C 22 DA C1' 1.0 -55.0 55.0 . 257 257 C 23 DA C4' C 23 DA C3' C 23 DA C2' C 23 DA C1' 1.0 -55.0 -15.0 . 258 258 C 24 DT C4' C 24 DT C3' C 24 DT C2' C 24 DT C1' 1.0 -55.0 55.0 . 259 259 C 25 DT C4' C 25 DT C3' C 25 DT C2' C 25 DT C1' 1.0 -55.0 55.0 . 260 260 C 26 DA C4' C 26 DA C3' C 26 DA C2' C 26 DA C1' 1.0 -55.0 -15.0 . 261 261 C 27 DT C4' C 27 DT C3' C 27 DT C2' C 27 DT C1' 1.0 -55.0 55.0 . 262 262 C 28 DC C4' C 28 DC C3' C 28 DC C2' C 28 DC C1' 1.0 -55.0 -15.0 . 263 263 C 29 DG C4' C 29 DG C3' C 29 DG C2' C 29 DG C1' 1.0 -55.0 -15.0 . 264 264 C 30 DC C4' C 30 DC C3' C 30 DC C2' C 30 DC C1' 1.0 -55.0 -15.0 . stop_ save_