data_nef_c18778_2lzu 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_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 59 HIS ND1 2 2 ZN ZN 1 29 HIS ND1 2 1 ZN ZN 1 8 CYS SG 2 1 ZN ZN 1 11 CYS SG 2 1 ZN ZN 1 32 CYS SG 2 1 ZN ZN 1 38 CYS SG 2 2 ZN ZN 1 35 CYS SG 2 2 ZN ZN 1 56 CYS SG 2 2 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 36 ARG start . . 2 A 37 ALA middle . . 3 A 38 GLN middle . . 4 A 39 VAL middle . . 5 A 40 LYS middle . . 6 A 41 GLU middle . . 7 A 42 THR middle . . 8 A 43 CYS middle -HG . 9 A 44 ALA middle . . 10 A 45 ALA middle . . 11 A 46 CYS middle -HG . 12 A 47 GLN middle . . 13 A 48 LYS middle . . 14 A 49 THR middle . . 15 A 50 VAL middle . . 16 A 51 TYR middle . . 17 A 52 PRO middle . false 18 A 53 MET middle . . 19 A 54 GLU middle . . 20 A 55 ARG middle . . 21 A 56 LEU middle . . 22 A 57 VAL middle . . 23 A 58 ALA middle . . 24 A 59 ASP middle . . 25 A 60 LYS middle . . 26 A 61 LEU middle . . 27 A 62 ILE middle . . 28 A 63 PHE middle . . 29 A 64 HIS middle -HD1 . 30 A 65 ASN middle . . 31 A 66 SER middle . . 32 A 67 CYS middle -HG . 33 A 68 PHE middle . . 34 A 69 CYS middle . . 35 A 70 CYS middle -HG . 36 A 71 LYS middle . . 37 A 72 HIS middle . . 38 A 73 CYS middle -HG . 39 A 74 HIS middle . . 40 A 75 THR middle . . 41 A 76 LYS middle . . 42 A 77 LEU middle . . 43 A 78 SER middle . . 44 A 79 LEU middle . . 45 A 80 GLY middle . false 46 A 81 SER middle . . 47 A 82 TYR middle . . 48 A 83 ALA middle . . 49 A 84 ALA middle . . 50 A 85 LEU middle . . 51 A 86 HIS middle . . 52 A 87 GLY middle . false 53 A 88 GLU middle . . 54 A 89 PHE middle . . 55 A 90 TYR middle . . 56 A 91 CYS middle -HG . 57 A 92 LYS middle . . 58 A 93 PRO middle . false 59 A 94 HIS middle -HD1 . 60 A 95 PHE middle . . 61 A 96 GLN middle . . 62 A 97 GLN middle . . 63 A 98 LEU middle . . 64 A 99 PHE middle . . 65 A 100 LYS middle . . 66 A 101 SER middle . . 67 A 102 LYS middle . . 68 A 103 GLY middle . false 69 A 104 ASN middle . . 70 A 105 TYR middle . . 71 A 106 ASP middle . . 72 A 107 GLU end . . 73 B 1 ZN . . . 74 B 2 ZN . . . 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 36 ARG CA C 13 56.229 0.000 A 36 ARG CB C 13 30.637 0.000 A 36 ARG CD C 13 43.264 0.000 A 36 ARG CG C 13 27.090 0.000 A 37 ALA H H 1 8.190 0.001 A 37 ALA N N 15 125.801 0.000 A 38 GLN CA C 13 55.637 0.000 A 38 GLN CG C 13 33.720 0.000 A 39 VAL H H 1 8.134 0.002 A 39 VAL CA C 13 62.310 0.000 A 39 VAL CB C 13 32.791 0.000 A 39 VAL CG1 C 13 20.671 0.000 A 39 VAL N N 15 123.340 0.000 A 40 LYS H H 1 8.364 0.003 A 40 LYS CA C 13 56.017 0.000 A 40 LYS CB C 13 33.171 0.000 A 40 LYS CD C 13 29.075 0.000 A 40 LYS CE C 13 41.955 0.000 A 40 LYS CG C 13 24.683 0.000 A 40 LYS N N 15 126.589 0.000 A 41 GLU H H 1 8.452 0.001 A 41 GLU HA H 1 4.311 0.000 A 41 GLU HG2 H 1 2.238 0.000 A 41 GLU CA C 13 55.806 0.000 A 41 GLU CG C 13 36.507 0.000 A 41 GLU N N 15 124.630 0.000 A 42 THR H H 1 8.081 0.002 A 42 THR HA H 1 4.288 0.001 A 42 THR HB H 1 3.540 0.000 A 42 THR HG2% H 1 0.843 0.000 A 42 THR CA C 13 60.072 0.000 A 42 THR CB C 13 71.178 0.000 A 42 THR CG2 C 13 21.516 0.000 A 42 THR N N 15 115.502 0.000 A 43 CYS H H 1 7.945 0.001 A 43 CYS HA H 1 4.027 0.001 A 43 CYS HB2 H 1 3.332 0.000 A 43 CYS HB3 H 1 2.198 0.000 A 43 CYS CB C 13 31.661 0.000 A 43 CYS N N 15 125.576 0.000 A 44 ALA H H 1 9.118 0.000 A 44 ALA HA H 1 3.950 0.000 A 44 ALA HB% H 1 0.848 0.000 A 44 ALA CA C 13 54.296 0.000 A 44 ALA CB C 13 18.401 0.000 A 44 ALA N N 15 132.6 0.070 A 45 ALA H H 1 8.866 0.003 A 45 ALA HA H 1 4.902 0.000 A 45 ALA HB% H 1 1.851 0.000 A 45 ALA CB C 13 20.893 0.000 A 45 ALA N N 15 121.634 0.000 A 46 CYS H H 1 8.273 0.000 A 46 CYS HA H 1 5.000 0.000 A 46 CYS HB2 H 1 3.348 0.000 A 46 CYS HB3 H 1 3.002 0.000 A 46 CYS CB C 13 31.577 0.000 A 46 CYS N N 15 117.587 0.000 A 47 GLN H H 1 8.100 0.000 A 47 GLN HA H 1 4.023 0.001 A 47 GLN HB2 H 1 2.409 0.000 A 47 GLN HB3 H 1 2.341 0.000 A 47 GLN HG2 H 1 2.255 0.000 A 47 GLN HG3 H 1 2.205 0.000 A 47 GLN CA C 13 57.970 0.000 A 47 GLN CB C 13 25.749 0.000 A 47 GLN CG C 13 34.195 0.000 A 47 GLN N N 15 116.202 0.000 A 48 LYS H H 1 8.192 0.000 A 48 LYS CA C 13 55.268 0.000 A 48 LYS CB C 13 34.279 0.000 A 48 LYS CD C 13 28.747 0.000 A 48 LYS CE C 13 42.261 0.000 A 48 LYS CG C 13 25.496 0.000 A 48 LYS N N 15 120.195 0.000 A 49 THR H H 1 8.445 0.001 A 49 THR HA H 1 4.059 0.000 A 49 THR HB H 1 3.765 0.000 A 49 THR HG2% H 1 0.706 0.000 A 49 THR CA C 13 64.391 0.000 A 49 THR CB C 13 69.416 0.000 A 49 THR CG2 C 13 22.203 0.000 A 49 THR N N 15 118.501 0.000 A 50 VAL H H 1 8.226 0.001 A 50 VAL HA H 1 3.863 0.000 A 50 VAL HB H 1 1.250 0.000 A 50 VAL HG1% H 1 0.504 0.000 A 50 VAL HG2% H 1 -0.078 0.000 A 50 VAL CA C 13 60.632 0.000 A 50 VAL CB C 13 33.099 0.000 A 50 VAL CG1 C 13 20.556 0.000 A 50 VAL N N 15 129.304 0.000 A 51 TYR H H 1 9.396 0.001 A 51 TYR HB2 H 1 3.346 0.000 A 51 TYR HB3 H 1 2.789 0.000 A 51 TYR HD1 H 1 7.284 0.002 A 51 TYR HD2 H 1 7.284 0.002 A 51 TYR HE1 H 1 6.834 0.002 A 51 TYR HE2 H 1 6.834 0.002 A 51 TYR N N 15 131.92 0.030 A 52 PRO HA H 1 4.066 0.002 A 52 PRO HB2 H 1 2.371 0.000 A 52 PRO HB3 H 1 1.952 0.000 A 52 PRO HG2 H 1 2.208 0.000 A 52 PRO HG3 H 1 2.091 0.000 A 52 PRO CA C 13 66.713 0.000 A 52 PRO CB C 13 32.254 0.000 A 52 PRO CD C 13 50.328 0.000 A 52 PRO CG C 13 27.820 0.000 A 53 MET H H 1 8.645 0.001 A 53 MET HA H 1 4.386 0.000 A 53 MET HB2 H 1 2.183 0.000 A 53 MET HB3 H 1 2.183 0.000 A 53 MET HG2 H 1 2.712 0.000 A 53 MET HG3 H 1 2.609 0.000 A 53 MET CA C 13 57.761 0.042 A 53 MET CG C 13 32.507 0.000 A 53 MET N N 15 114.735 0.000 A 54 GLU H H 1 7.902 0.001 A 54 GLU HA H 1 4.653 0.002 A 54 GLU HB2 H 1 2.483 0.000 A 54 GLU HB3 H 1 2.383 0.000 A 54 GLU HG2 H 1 2.491 0.000 A 54 GLU HG3 H 1 2.334 0.000 A 54 GLU CA C 13 55.438 0.000 A 54 GLU CG C 13 36.857 0.000 A 54 GLU N N 15 118.093 0.000 A 55 ARG H H 1 6.904 0.002 A 55 ARG HA H 1 3.950 0.001 A 55 ARG HB2 H 1 1.668 0.000 A 55 ARG HB3 H 1 1.603 0.000 A 55 ARG HG2 H 1 1.321 0.000 A 55 ARG HG3 H 1 1.174 0.000 A 55 ARG CB C 13 32.465 0.000 A 55 ARG CD C 13 43.656 0.000 A 55 ARG CG C 13 27.482 0.000 A 55 ARG N N 15 121.445 0.000 A 56 LEU H H 1 8.895 0.001 A 56 LEU HA H 1 4.403 0.000 A 56 LEU HB2 H 1 1.415 0.001 A 56 LEU HB3 H 1 1.250 0.000 A 56 LEU HD1% H 1 0.624 0.003 A 56 LEU HD2% H 1 0.021 0.001 A 56 LEU HG H 1 1.250 0.000 A 56 LEU CA C 13 54.862 0.000 A 56 LEU CB C 13 44.558 0.000 A 56 LEU CD1 C 13 26.062 0.000 A 56 LEU CD2 C 13 24.668 0.000 A 56 LEU CG C 13 27.624 0.000 A 56 LEU N N 15 131.74 0.080 A 57 VAL H H 1 8.198 0.002 A 57 VAL HA H 1 4.710 0.000 A 57 VAL HB H 1 1.788 0.000 A 57 VAL HG1% H 1 0.750 0.003 A 57 VAL HG2% H 1 0.706 0.003 A 57 VAL CA C 13 60.808 0.000 A 57 VAL CB C 13 32.641 0.000 A 57 VAL CG1 C 13 20.734 0.000 A 57 VAL N N 15 126.394 0.000 A 58 ALA H H 1 8.744 0.001 A 58 ALA HA H 1 4.383 0.000 A 58 ALA HB% H 1 0.481 0.000 A 58 ALA CB C 13 20.859 0.000 A 58 ALA N N 15 132.2 0.060 A 59 ASP H H 1 8.831 0.000 A 59 ASP HA H 1 4.143 0.001 A 59 ASP HB2 H 1 3.036 0.000 A 59 ASP HB3 H 1 2.823 0.000 A 59 ASP CA C 13 56.247 0.000 A 59 ASP CB C 13 39.397 0.000 A 59 ASP N N 15 123.799 0.000 A 60 LYS H H 1 8.162 0.001 A 60 LYS HA H 1 3.770 0.004 A 60 LYS HB2 H 1 2.071 0.000 A 60 LYS HB3 H 1 1.960 0.000 A 60 LYS HG2 H 1 1.392 0.000 A 60 LYS HG3 H 1 1.332 0.000 A 60 LYS CA C 13 57.936 0.000 A 60 LYS CB C 13 31.036 0.000 A 60 LYS CD C 13 29.009 0.000 A 60 LYS CE C 13 42.058 0.000 A 60 LYS CG C 13 25.377 0.000 A 60 LYS N N 15 112.795 0.000 A 61 LEU H H 1 8.150 0.001 A 61 LEU HA H 1 4.379 0.002 A 61 LEU HB2 H 1 2.101 0.002 A 61 LEU HB3 H 1 0.897 0.010 A 61 LEU HD1% H 1 1.138 0.000 A 61 LEU HD2% H 1 0.869 0.000 A 61 LEU HG H 1 1.771 0.001 A 61 LEU CA C 13 54.093 0.000 A 61 LEU CB C 13 44.212 0.000 A 61 LEU CD1 C 13 26.095 0.000 A 61 LEU CD2 C 13 22.759 0.000 A 61 LEU N N 15 124.167 0.000 A 62 ILE H H 1 7.811 0.000 A 62 ILE HA H 1 4.459 0.001 A 62 ILE HB H 1 1.597 0.000 A 62 ILE HD1% H 1 0.627 0.002 A 62 ILE HG12 H 1 1.225 0.000 A 62 ILE HG13 H 1 1.088 0.003 A 62 ILE HG2% H 1 0.531 0.002 A 62 ILE CA C 13 59.330 0.000 A 62 ILE CB C 13 38.004 0.000 A 62 ILE CD1 C 13 12.582 0.000 A 62 ILE CG1 C 13 27.911 0.000 A 62 ILE CG2 C 13 18.409 0.000 A 62 ILE N N 15 121.164 0.000 A 63 PHE H H 1 9.064 0.000 A 63 PHE HA H 1 5.604 0.001 A 63 PHE HB2 H 1 3.272 0.001 A 63 PHE HB3 H 1 2.203 0.002 A 63 PHE HD1 H 1 6.723 0.002 A 63 PHE HD2 H 1 6.723 0.002 A 63 PHE HE1 H 1 6.793 0.003 A 63 PHE HE2 H 1 6.793 0.003 A 63 PHE HZ H 1 6.604 0.001 A 63 PHE CA C 13 56.096 0.000 A 63 PHE CB C 13 43.512 0.000 A 63 PHE N N 15 123.178 0.000 A 64 HIS H H 1 8.387 0.000 A 64 HIS HB2 H 1 3.694 0.000 A 64 HIS HB3 H 1 3.534 0.000 A 64 HIS HD2 H 1 7.528 0.001 A 64 HIS HE1 H 1 7.192 0.000 A 64 HIS CB C 13 30.716 0.000 A 64 HIS N N 15 118.003 0.000 A 65 ASN H H 1 9.420 0.000 A 65 ASN HA H 1 4.191 0.000 A 65 ASN HB2 H 1 2.855 0.000 A 65 ASN HB3 H 1 2.798 0.000 A 65 ASN CA C 13 57.786 0.000 A 65 ASN CB C 13 37.980 0.000 A 65 ASN N N 15 126.211 0.000 A 66 SER H H 1 8.623 0.001 A 66 SER HA H 1 4.152 0.000 A 66 SER HB2 H 1 4.008 0.000 A 66 SER HB3 H 1 3.893 0.000 A 66 SER CA C 13 60.277 0.000 A 66 SER CB C 13 63.022 0.000 A 66 SER N N 15 111.576 0.000 A 67 CYS H H 1 7.819 0.001 A 67 CYS HA H 1 4.409 0.001 A 67 CYS HB2 H 1 3.456 0.000 A 67 CYS HB3 H 1 3.258 0.000 A 67 CYS CB C 13 31.609 0.000 A 67 CYS N N 15 119.147 0.000 A 68 PHE H H 1 7.298 0.000 A 68 PHE HA H 1 4.103 0.001 A 68 PHE HB2 H 1 2.955 0.002 A 68 PHE HB3 H 1 2.006 0.000 A 68 PHE HD1 H 1 5.653 0.002 A 68 PHE HD2 H 1 5.653 0.002 A 68 PHE HE1 H 1 5.616 0.000 A 68 PHE HE2 H 1 5.616 0.000 A 68 PHE HZ H 1 5.460 0.001 A 68 PHE CA C 13 56.018 0.000 A 68 PHE CB C 13 37.141 0.000 A 68 PHE N N 15 125.267 0.000 A 69 CYS H H 1 7.264 0.000 A 69 CYS HA H 1 4.995 0.003 A 69 CYS HB2 H 1 2.354 0.000 A 69 CYS HB3 H 1 2.277 0.000 A 69 CYS CB C 13 32.242 0.000 A 69 CYS N N 15 120.880 0.000 A 70 CYS H H 1 8.390 0.000 A 70 CYS HA H 1 4.187 0.002 A 70 CYS HB2 H 1 3.533 0.000 A 70 CYS HB3 H 1 2.936 0.000 A 70 CYS CB C 13 32.284 0.000 A 70 CYS N N 15 123.138 0.000 A 71 LYS H H 1 9.464 0.000 A 71 LYS HA H 1 3.994 0.001 A 71 LYS HB2 H 1 1.922 0.000 A 71 LYS HB3 H 1 1.288 0.000 A 71 LYS HD2 H 1 1.789 0.000 A 71 LYS HD3 H 1 1.672 0.000 A 71 LYS HE2 H 1 3.050 0.001 A 71 LYS HE3 H 1 3.050 0.001 A 71 LYS HG2 H 1 1.451 0.000 A 71 LYS HG3 H 1 1.416 0.000 A 71 LYS CA C 13 58.678 0.000 A 71 LYS CB C 13 32.327 0.000 A 71 LYS CD C 13 28.948 0.000 A 71 LYS CE C 13 42.504 0.000 A 71 LYS CG C 13 24.768 0.000 A 71 LYS N N 15 134.14 0.030 A 72 HIS H H 1 8.785 0.002 A 72 HIS HA H 1 4.524 0.000 A 72 HIS HB2 H 1 2.970 0.001 A 72 HIS HB3 H 1 2.970 0.001 A 72 HIS HD2 H 1 5.281 0.000 A 72 HIS HE1 H 1 7.591 0.000 A 72 HIS CB C 13 32.833 0.000 A 72 HIS N N 15 118.692 0.000 A 73 CYS H H 1 8.300 0.000 A 73 CYS HA H 1 4.687 0.001 A 73 CYS HB2 H 1 3.502 0.000 A 73 CYS HB3 H 1 2.643 0.000 A 73 CYS N N 15 116.896 0.000 A 74 HIS HA H 1 4.360 0.000 A 74 HIS HB2 H 1 3.458 0.001 A 74 HIS HB3 H 1 3.458 0.001 A 74 HIS HD2 H 1 7.033 0.000 A 74 HIS CB C 13 27.307 0.000 A 75 THR H H 1 8.325 0.000 A 75 THR HA H 1 4.326 0.000 A 75 THR HB H 1 4.340 0.000 A 75 THR HG2% H 1 1.159 0.000 A 75 THR CA C 13 63.444 0.000 A 75 THR CB C 13 69.307 0.000 A 75 THR CG2 C 13 21.044 0.000 A 75 THR N N 15 119.003 0.000 A 76 LYS H H 1 8.417 0.000 A 76 LYS CA C 13 57.795 0.000 A 76 LYS CB C 13 32.162 0.000 A 76 LYS CD C 13 29.037 0.000 A 76 LYS CE C 13 41.959 0.000 A 76 LYS CG C 13 24.687 0.000 A 76 LYS N N 15 128.128 0.000 A 77 LEU H H 1 8.090 0.002 A 77 LEU HA H 1 4.318 0.005 A 77 LEU HB2 H 1 0.484 0.000 A 77 LEU HB3 H 1 0.130 0.000 A 77 LEU HD1% H 1 -0.260 0.001 A 77 LEU HD2% H 1 0.605 0.002 A 77 LEU HG H 1 0.962 0.001 A 77 LEU CA C 13 53.276 0.000 A 77 LEU CB C 13 42.128 0.000 A 77 LEU CD1 C 13 25.034 0.000 A 77 LEU CD2 C 13 21.900 0.000 A 77 LEU N N 15 126.747 0.000 A 78 SER H H 1 7.923 0.002 A 78 SER HA H 1 4.816 0.000 A 78 SER HB2 H 1 3.925 0.000 A 78 SER HB3 H 1 3.872 0.000 A 78 SER CA C 13 56.359 0.000 A 78 SER CB C 13 65.819 0.000 A 78 SER N N 15 113.597 0.000 A 79 LEU H H 1 8.924 0.002 A 79 LEU HA H 1 4.325 0.001 A 79 LEU HB2 H 1 1.816 0.000 A 79 LEU HB3 H 1 1.696 0.000 A 79 LEU HD1% H 1 1.028 0.000 A 79 LEU HD2% H 1 0.909 0.000 A 79 LEU HG H 1 1.810 0.000 A 79 LEU N N 15 124.199 0.000 A 80 GLY CA C 13 45.591 0.000 A 81 SER H H 1 7.969 0.000 A 81 SER HA H 1 4.766 0.001 A 81 SER HB2 H 1 3.939 0.000 A 81 SER HB3 H 1 3.874 0.000 A 81 SER CA C 13 57.260 0.000 A 81 SER CB C 13 64.228 0.000 A 81 SER N N 15 114.960 0.000 A 82 TYR H H 1 7.745 0.000 A 82 TYR HA H 1 5.364 0.001 A 82 TYR HB2 H 1 3.021 0.000 A 82 TYR HB3 H 1 2.820 0.001 A 82 TYR HD1 H 1 7.198 0.001 A 82 TYR HD2 H 1 7.198 0.001 A 82 TYR HE1 H 1 7.010 0.000 A 82 TYR HE2 H 1 7.010 0.000 A 82 TYR CA C 13 55.866 0.000 A 82 TYR CB C 13 42.986 0.000 A 82 TYR N N 15 121.102 0.000 A 83 ALA H H 1 9.204 0.001 A 83 ALA HA H 1 4.209 0.000 A 83 ALA HB% H 1 0.443 0.000 A 83 ALA CB C 13 21.995 0.000 A 83 ALA N N 15 124.926 0.000 A 84 ALA H H 1 8.260 0.000 A 84 ALA HA H 1 5.359 0.000 A 84 ALA HB% H 1 1.078 0.000 A 84 ALA CB C 13 22.713 0.000 A 84 ALA N N 15 124.697 0.000 A 85 LEU H H 1 8.897 0.000 A 85 LEU HA H 1 4.365 0.001 A 85 LEU HB2 H 1 1.595 0.000 A 85 LEU HB3 H 1 1.346 0.000 A 85 LEU HD1% H 1 0.608 0.001 A 85 LEU HD2% H 1 0.282 0.000 A 85 LEU HG H 1 0.850 0.001 A 85 LEU N N 15 123.000 0.000 A 86 HIS HA H 1 4.372 0.000 A 86 HIS HB2 H 1 3.260 0.003 A 86 HIS HB3 H 1 3.260 0.003 A 86 HIS HD2 H 1 6.979 0.001 A 86 HIS HE1 H 1 7.953 0.002 A 86 HIS CB C 13 28.245 0.000 A 87 GLY H H 1 8.710 0.000 A 87 GLY HA2 H 1 4.099 0.000 A 87 GLY HA3 H 1 3.522 0.000 A 87 GLY CA C 13 45.559 0.000 A 87 GLY N N 15 106.0 0.050 A 88 GLU H H 1 7.547 0.000 A 88 GLU HA H 1 4.638 0.001 A 88 GLU HB2 H 1 2.158 0.000 A 88 GLU HB3 H 1 1.799 0.000 A 88 GLU HG2 H 1 2.403 0.000 A 88 GLU HG3 H 1 2.207 0.000 A 88 GLU CA C 13 54.005 0.000 A 88 GLU CB C 13 32.425 0.000 A 88 GLU CG C 13 36.226 0.000 A 88 GLU N N 15 119.539 0.000 A 89 PHE H H 1 8.649 0.001 A 89 PHE HA H 1 4.957 0.001 A 89 PHE HB2 H 1 2.611 0.001 A 89 PHE HB3 H 1 2.386 0.001 A 89 PHE HD1 H 1 7.196 0.002 A 89 PHE HD2 H 1 7.196 0.002 A 89 PHE HE1 H 1 7.289 0.000 A 89 PHE HE2 H 1 7.289 0.000 A 89 PHE HZ H 1 7.249 0.000 A 89 PHE CA C 13 58.101 0.000 A 89 PHE CB C 13 41.674 0.000 A 89 PHE N N 15 120.550 0.000 A 90 TYR H H 1 8.948 0.001 A 90 TYR HA H 1 5.746 0.000 A 90 TYR HB2 H 1 3.639 0.001 A 90 TYR HB3 H 1 2.723 0.000 A 90 TYR HD1 H 1 7.167 0.000 A 90 TYR HD2 H 1 7.167 0.000 A 90 TYR HE1 H 1 6.768 0.000 A 90 TYR HE2 H 1 6.768 0.000 A 90 TYR CA C 13 56.881 0.000 A 90 TYR CB C 13 44.677 0.000 A 90 TYR N N 15 117.710 0.000 A 91 CYS H H 1 9.496 0.000 A 91 CYS HA H 1 4.921 0.000 A 91 CYS HB2 H 1 3.336 0.000 A 91 CYS HB3 H 1 2.904 0.000 A 91 CYS CB C 13 29.770 0.000 A 91 CYS N N 15 120.369 0.000 A 92 LYS H H 1 8.732 0.000 A 92 LYS HA H 1 4.043 0.002 A 92 LYS HB2 H 1 1.864 0.000 A 92 LYS HB3 H 1 1.864 0.000 A 92 LYS HG2 H 1 1.333 0.000 A 92 LYS HG3 H 1 1.149 0.005 A 92 LYS N N 15 122.315 0.000 A 93 PRO HA H 1 4.250 0.001 A 93 PRO HB2 H 1 2.163 0.000 A 93 PRO HB3 H 1 1.294 0.000 A 93 PRO HD3 H 1 3.702 0.000 A 93 PRO HG3 H 1 1.850 0.000 A 93 PRO CA C 13 66.214 0.000 A 93 PRO CB C 13 31.459 0.000 A 93 PRO CD C 13 50.378 0.000 A 93 PRO CG C 13 28.503 0.000 A 94 HIS H H 1 8.006 0.002 A 94 HIS HA H 1 4.447 0.006 A 94 HIS HB2 H 1 3.652 0.002 A 94 HIS HB3 H 1 2.979 0.001 A 94 HIS HD2 H 1 7.095 0.001 A 94 HIS HE1 H 1 8.053 0.000 A 94 HIS CB C 13 29.558 0.000 A 94 HIS N N 15 117.656 0.000 A 95 PHE H H 1 9.069 0.000 A 95 PHE HA H 1 3.822 0.001 A 95 PHE HB2 H 1 3.219 0.001 A 95 PHE HB3 H 1 3.036 0.000 A 95 PHE HD1 H 1 6.885 0.000 A 95 PHE HD2 H 1 6.885 0.000 A 95 PHE HE1 H 1 7.044 0.000 A 95 PHE HE2 H 1 7.044 0.000 A 95 PHE CA C 13 61.653 0.000 A 95 PHE CB C 13 39.651 0.000 A 95 PHE N N 15 124.143 0.000 A 96 GLN H H 1 8.211 0.001 A 96 GLN HA H 1 3.768 0.002 A 96 GLN HB2 H 1 2.161 0.000 A 96 GLN HG3 H 1 2.420 0.000 A 96 GLN CA C 13 58.570 0.000 A 96 GLN CG C 13 33.950 0.000 A 96 GLN N N 15 117.097 0.000 A 97 GLN H H 1 7.595 0.002 A 97 GLN HA H 1 3.913 0.001 A 97 GLN HB2 H 1 2.072 0.000 A 97 GLN HB3 H 1 1.971 0.000 A 97 GLN HG2 H 1 2.434 0.000 A 97 GLN HG3 H 1 2.202 0.000 A 97 GLN CA C 13 58.203 0.000 A 97 GLN CG C 13 33.498 0.000 A 97 GLN N N 15 117.687 0.000 A 98 LEU H H 1 7.715 0.002 A 98 LEU HA H 1 3.782 0.000 A 98 LEU HB2 H 1 0.920 0.001 A 98 LEU HB3 H 1 0.411 0.000 A 98 LEU HD1% H 1 0.225 0.000 A 98 LEU HD2% H 1 0.410 0.000 A 98 LEU HG H 1 1.260 0.001 A 98 LEU CA C 13 56.556 0.000 A 98 LEU CB C 13 41.649 0.000 A 98 LEU CD1 C 13 24.672 0.000 A 98 LEU CD2 C 13 22.265 0.000 A 98 LEU CG C 13 27.079 0.000 A 98 LEU N N 15 118.588 0.000 A 99 PHE H H 1 7.534 0.001 A 99 PHE HA H 1 4.367 0.000 A 99 PHE HB2 H 1 2.713 0.001 A 99 PHE HB3 H 1 2.084 0.000 A 99 PHE HD1 H 1 6.731 0.000 A 99 PHE HD2 H 1 6.731 0.000 A 99 PHE HE1 H 1 6.712 0.000 A 99 PHE HE2 H 1 6.712 0.000 A 99 PHE HZ H 1 6.805 0.000 A 99 PHE CA C 13 58.245 0.000 A 99 PHE CB C 13 39.073 0.000 A 99 PHE N N 15 117.499 0.000 A 100 LYS H H 1 7.552 0.003 A 100 LYS CA C 13 56.514 0.000 A 100 LYS CB C 13 32.443 0.000 A 100 LYS CD C 13 28.895 0.000 A 100 LYS CE C 13 42.029 0.000 A 100 LYS CG C 13 24.461 0.000 A 100 LYS N N 15 120.606 0.000 A 101 SER H H 1 8.036 0.001 A 101 SER N N 15 116.402 0.000 A 102 LYS CA C 13 56.471 0.000 A 102 LYS CB C 13 32.654 0.000 A 102 LYS CD C 13 28.938 0.000 A 102 LYS CE C 13 42.324 0.000 A 102 LYS CG C 13 24.672 0.000 A 103 GLY H H 1 8.238 0.001 A 103 GLY CA C 13 45.154 0.000 A 103 GLY N N 15 109.982 0.000 A 104 ASN H H 1 8.167 0.000 A 104 ASN CA C 13 53.051 0.000 A 104 ASN CB C 13 38.862 0.000 A 104 ASN N N 15 119.450 0.000 A 105 TYR H H 1 8.167 0.000 A 105 TYR CA C 13 58.110 0.000 A 105 TYR CB C 13 38.684 0.000 A 105 TYR N N 15 121.896 0.000 A 106 ASP H H 1 8.213 0.001 A 106 ASP CA C 13 54.267 0.000 A 106 ASP CB C 13 41.345 0.000 A 106 ASP N N 15 123.139 0.000 A 107 GLU H H 1 8.351 0.001 A 107 GLU CA C 13 57.223 0.000 A 107 GLU CG C 13 36.319 0.000 A 107 GLU N N 15 122.849 0.000 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 41 GLU HG2 A 41 GLU HA 1.0 1.870 3.814 2 2 A 41 GLU HG2 A 55 ARG HB3 1.0 1.791 3.623 3 3 A 42 THR HA A 42 THR HB 1.0 1.679 3.115 4 4 A 42 THR HA A 43 CYS H 1.0 1.507 2.521 5 5 A 42 THR HB A 43 CYS H 1.0 1.725 3.311 6 6 A 44 ALA H A 43 CYS HA 1.0 1.486 2.460 7 7 A 43 CYS HA A 43 CYS HB3 1.0 1.586 2.774 8 8 A 43 CYS H A 43 CYS HB3 1.0 1.668 3.072 9 9 A 43 CYS HB3 A 43 CYS HB2 1.0 1.484 2.452 10 10 A 62 ILE H A 61 LEU HB2 1.0 1.742 3.384 11 11 A 45 ALA H A 45 ALA HA 1.0 1.743 3.391 12 12 A 45 ALA H A 45 ALA HB% 1.0 1.633 2.941 13 13 A 45 ALA HB% A 46 CYS H 1.0 1.766 3.564 14 14 A 46 CYS HA A 46 CYS HB3 1.0 1.499 2.499 15 15 A 46 CYS HA A 46 CYS HB2 1.0 1.529 2.587 16 16 A 46 CYS HB3 A 46 CYS HB2 1.0 1.388 2.188 17 17 A 46 CYS H A 46 CYS HB2 1.0 1.767 3.501 18 18 A 42 THR HG2% A 47 GLN HA 1.0 1.763 3.485 19 19 A 48 LYS HDy A 48 LYS HA 1.0 1.809 3.717 20 20 A 48 LYS HDy A 48 LYS HEy 1.0 1.655 3.021 21 21 A 48 LYS HA A 48 LYS HGx 1.0 1.821 3.789 22 22 A 48 LYS HA A 48 LYS HGy 1.0 1.854 3.980 23 23 A 48 LYS HGx A 48 LYS HBy 1.0 1.761 3.473 24 24 A 48 LYS HGx A 48 LYS HBx 1.0 1.786 3.602 25 25 A 48 LYS HGy A 48 LYS HBx 1.0 1.774 3.538 26 26 A 48 LYS HGy A 48 LYS HBy 1.0 1.780 3.568 27 27 A 48 LYS HGy A 48 LYS HEx 1.0 1.815 3.751 28 27 A 48 LYS HEy A 48 LYS HGy 1.0 1.815 3.751 29 28 A 49 THR HA A 50 VAL HG2% 1.0 1.821 3.791 30 29 A 50 VAL H A 49 THR HG2% 1.0 1.564 2.700 31 30 A 49 THR HG2% A 49 THR H 1.0 1.807 3.705 32 31 A 50 VAL H A 50 VAL HA 1.0 1.802 3.680 33 32 A 50 VAL HA A 51 TYR H 1.0 1.521 2.565 34 33 A 55 ARG HB3 A 50 VAL HB 1.0 1.386 2.180 35 34 A 50 VAL H A 50 VAL HB 1.0 1.751 3.425 36 35 A 50 VAL HB A 50 VAL HG1% 1.0 1.440 2.326 37 36 A 50 VAL HG1% A 54 GLU HB2 1.0 1.692 3.166 38 37 A 50 VAL HG1% A 64 HIS HA 1.0 1.620 2.894 39 38 A 50 VAL H A 50 VAL HG1% 1.0 1.948 3.812 40 39 A 51 TYR H A 50 VAL HG1% 1.0 1.670 3.084 41 40 A 50 VAL HG2% A 50 VAL HB 1.0 1.494 2.484 42 41 A 50 VAL HG2% A 50 VAL HG1% 1.0 1.404 2.230 43 42 A 50 VAL HG2% A 41 GLU HBx 1.0 1.779 3.565 44 43 A 43 CYS HB2 A 50 VAL HG2% 1.0 1.516 2.548 45 44 A 43 CYS HB3 A 50 VAL HG2% 1.0 1.648 2.998 46 45 A 43 CYS HA A 50 VAL HG2% 1.0 1.552 2.664 47 46 A 43 CYS H A 50 VAL HG2% 1.0 1.636 2.950 48 47 A 50 VAL HG2% A 50 VAL H 1.0 1.588 2.778 49 48 A 50 VAL HG2% A 63 PHE H 1.0 1.815 3.751 50 49 A 51 TYR HB2 A 51 TYR HB3 1.0 1.431 2.303 51 50 A 51 TYR HB2 A 52 PRO HDx 1.0 1.709 3.239 52 50 A 51 TYR HB2 A 52 PRO HDy 1.0 1.709 3.239 53 51 A 51 TYR HB3 A 51 TYR HA 1.0 1.716 3.272 54 52 A 51 TYR HB2 A 51 TYR HA 1.0 1.792 3.624 55 53 A 51 TYR HB2 A 51 TYR HD2 1.0 1.824 3.804 56 53 A 51 TYR HB2 A 51 TYR HD1 1.0 1.824 3.804 57 54 A 51 TYR HB3 A 51 TYR HD2 1.0 1.785 3.593 58 54 A 51 TYR HB3 A 51 TYR HD1 1.0 1.785 3.593 59 55 A 51 TYR H A 51 TYR HB3 1.0 1.734 3.352 60 56 A 52 PRO HA A 52 PRO HG2 1.0 1.683 3.131 61 57 A 52 PRO HA A 55 ARG HDx 1.0 1.760 3.468 62 58 A 52 PRO HA A 55 ARG H 1.0 1.823 3.797 63 59 A 52 PRO HB3 A 52 PRO HB2 1.0 1.537 2.613 64 60 A 52 PRO HA A 52 PRO HB2 1.0 1.659 3.039 65 61 A 71 LYS H A 71 LYS HB3 1.0 1.758 3.458 66 62 A 52 PRO HDy A 52 PRO HG3 1.0 1.620 2.894 67 63 A 52 PRO HDy A 52 PRO HG2 1.0 1.651 3.009 68 64 A 96 GLN H A 96 GLN HB2 1.0 1.793 3.631 69 65 A 53 MET HA A 53 MET HG3 1.0 1.640 2.966 70 66 A 53 MET HA A 53 MET H 1.0 1.772 3.524 71 67 A 53 MET HA A 54 GLU H 1.0 1.800 3.668 72 68 A 54 GLU HB2 A 54 GLU HA 1.0 1.572 2.728 73 69 A 55 ARG H A 54 GLU HA 1.0 1.826 3.816 74 70 A 55 ARG HB3 A 55 ARG HA 1.0 1.621 2.897 75 71 A 55 ARG HA A 55 ARG HG2 1.0 1.721 3.289 76 72 A 55 ARG HA A 55 ARG HG3 1.0 1.730 3.332 77 73 A 55 ARG HA A 55 ARG HB2 1.0 1.629 2.925 78 74 A 55 ARG H A 55 ARG HA 1.0 1.730 3.330 79 75 A 55 ARG HA A 56 LEU H 1.0 1.477 2.431 80 76 A 50 VAL HG1% A 55 ARG HB2 1.0 1.813 3.737 81 77 A 50 VAL HB A 55 ARG HB2 1.0 1.986 3.802 82 78 A 55 ARG HDx A 55 ARG HG3 1.0 1.738 3.368 83 79 A 55 ARG HDx A 55 ARG HG2 1.0 1.736 3.356 84 80 A 55 ARG HG2 A 55 ARG HDy 1.0 1.759 3.463 85 81 A 55 ARG HG3 A 55 ARG HDy 1.0 1.774 3.538 86 82 A 55 ARG HB2 A 55 ARG HDy 1.0 1.656 3.026 87 83 A 55 ARG HB3 A 55 ARG HDy 1.0 1.733 3.341 88 84 A 55 ARG HB3 A 55 ARG HDx 1.0 1.728 3.320 89 85 A 56 LEU HB3 A 56 LEU HD2% 1.0 1.681 3.123 90 86 A 56 LEU HD2% A 56 LEU HG 1.0 1.473 2.419 91 87 A 98 LEU H A 98 LEU HG 1.0 1.774 3.536 92 88 A 57 VAL H A 56 LEU HA 1.0 1.478 2.434 93 89 A 57 VAL H A 57 VAL HG1% 1.0 1.579 2.751 94 90 A 60 LYS HA A 57 VAL HG2% 1.0 1.671 3.083 95 91 A 57 VAL HG1% A 57 VAL HB 1.0 1.444 2.338 96 92 A 57 VAL HG2% A 57 VAL HB 1.0 1.453 2.361 97 93 A 58 ALA HA A 79 LEU HD2% 1.0 1.957 3.853 98 94 A 50 VAL HG1% A 63 PHE HA 1.0 1.653 3.015 99 95 A 59 ASP H A 59 ASP HA 1.0 1.529 2.587 100 96 A 60 LYS HA A 60 LYS H 1.0 1.559 2.683 101 97 A 100 LYS H A 96 GLN HA 1.0 1.750 3.422 102 98 A 96 GLN HA A 96 GLN HGx 1.0 1.703 3.217 103 99 A 60 LYS HB2 A 60 LYS HG2 1.0 1.754 3.436 104 100 A 60 LYS HG2 A 60 LYS HB3 1.0 1.758 3.458 105 101 A 60 LYS H A 60 LYS HB3 1.0 1.824 3.800 106 102 A 61 LEU HA A 61 LEU HG 1.0 1.750 3.420 107 103 A 61 LEU HB2 A 61 LEU HA 1.0 1.468 2.408 108 104 A 62 ILE H A 61 LEU HA 1.0 1.517 2.551 109 105 A 61 LEU HA A 61 LEU H 1.0 1.676 3.106 110 106 A 61 LEU HG A 61 LEU HB3 1.0 1.751 3.427 111 107 A 61 LEU HB2 A 61 LEU HB3 1.0 1.505 2.515 112 108 A 61 LEU HB2 A 61 LEU H 1.0 1.805 3.701 113 109 A 61 LEU H A 61 LEU HD2% 1.0 1.786 3.594 114 110 A 61 LEU HA A 61 LEU HD2% 1.0 1.399 2.215 115 111 A 61 LEU HG A 61 LEU HD2% 1.0 1.462 2.390 116 112 A 62 ILE HA A 62 ILE HG13 1.0 1.780 3.566 117 113 A 62 ILE H A 62 ILE HA 1.0 1.785 3.589 118 114 A 63 PHE H A 62 ILE HA 1.0 1.543 2.633 119 115 A 62 ILE H A 62 ILE HB 1.0 1.667 3.069 120 116 A 50 VAL HG2% A 62 ILE HG2% 1.0 1.661 3.045 121 117 A 55 ARG HG2 A 62 ILE HG2% 1.0 1.497 2.491 122 118 A 62 ILE HB A 62 ILE HG2% 1.0 1.416 2.260 123 119 A 62 ILE HA A 62 ILE HG2% 1.0 1.532 2.596 124 120 A 62 ILE H A 62 ILE HG2% 1.0 1.813 3.737 125 121 A 63 PHE H A 62 ILE HG2% 1.0 1.673 3.231 126 122 A 62 ILE HB A 62 ILE HD1% 1.0 1.763 3.351 127 123 A 63 PHE HA A 63 PHE HB3 1.0 1.678 3.112 128 124 A 63 PHE HA A 63 PHE HD2 1.0 1.802 3.680 129 124 A 63 PHE HA A 63 PHE HD1 1.0 1.802 3.680 130 125 A 63 PHE H A 63 PHE HA 1.0 1.706 3.226 131 126 A 63 PHE HB3 A 63 PHE HB2 1.0 1.493 2.479 132 127 A 63 PHE H A 63 PHE HB2 1.0 1.790 3.616 133 128 A 65 ASN HA A 65 ASN HB3 1.0 1.532 2.596 134 129 A 65 ASN HA A 65 ASN H 1.0 1.602 2.830 135 130 A 65 ASN H A 65 ASN HB2 1.0 1.711 3.251 136 131 A 67 CYS H A 66 SER HA 1.0 1.816 3.760 137 132 A 67 CYS HA A 67 CYS HB3 1.0 1.621 2.897 138 133 A 67 CYS HB3 A 67 CYS HB2 1.0 1.485 2.457 139 134 A 67 CYS H A 67 CYS HB2 1.0 1.787 3.605 140 135 A 69 CYS H A 68 PHE HA 1.0 1.540 2.622 141 136 A 68 PHE HB2 A 68 PHE HD1 1.0 1.728 3.324 142 137 A 69 CYS HA A 69 CYS HB2 1.0 1.640 2.966 143 138 A 69 CYS HA A 69 CYS HB3 1.0 1.658 3.032 144 139 A 69 CYS H A 69 CYS HA 1.0 1.768 3.506 145 140 A 69 CYS HA A 77 LEU H 1.0 1.673 3.093 146 141 A 69 CYS HA A 70 CYS H 1.0 1.558 2.680 147 142 A 69 CYS HB3 A 74 HIS HA 1.0 1.681 3.125 148 143 A 69 CYS H A 69 CYS HB2 1.0 1.788 3.608 149 144 A 70 CYS HA A 70 CYS HB3 1.0 1.712 3.250 150 145 A 70 CYS HA A 77 LEU HD2% 1.0 1.737 3.365 151 146 A 70 CYS HA A 77 LEU HD1% 1.0 1.961 3.871 152 147 A 71 LYS H A 70 CYS HA 1.0 1.545 2.637 153 148 A 70 CYS HB3 A 70 CYS HB2 1.0 1.524 2.574 154 149 A 70 CYS HB2 A 75 THR H 1.0 1.573 2.731 155 150 A 71 LYS H A 70 CYS HB3 1.0 1.805 3.695 156 151 A 71 LYS HA A 71 LYS HG2 1.0 1.618 2.884 157 152 A 71 LYS HB3 A 71 LYS HA 1.0 1.589 2.785 158 153 A 71 LYS HA A 71 LYS HE3 1.0 1.615 2.875 159 154 A 71 LYS H A 71 LYS HA 1.0 1.689 3.155 160 155 A 71 LYS HA A 71 LYS HB2 1.0 1.618 2.884 161 156 A 71 LYS HB3 A 71 LYS HB2 1.0 1.511 2.533 162 157 A 72 HIS HA A 72 HIS HB3 1.0 1.499 2.499 163 158 A 72 HIS HA A 73 CYS H 1.0 1.795 3.641 164 159 A 72 HIS HA A 72 HIS H 1.0 1.699 3.195 165 160 A 90 TYR HE1 A 72 HIS HB2 1.0 1.766 3.494 166 160 A 90 TYR HE2 A 72 HIS HB2 1.0 1.766 3.494 167 160 A 72 HIS HB3 A 90 TYR HE2 1.0 1.766 3.494 168 160 A 72 HIS HB3 A 90 TYR HE1 1.0 1.766 3.494 169 161 A 72 HIS H A 72 HIS HB2 1.0 1.651 3.009 170 161 A 72 HIS HB3 A 72 HIS H 1.0 1.651 3.009 171 162 A 73 CYS HA A 73 CYS HB2 1.0 1.588 2.782 172 163 A 73 CYS HA A 73 CYS HB3 1.0 1.555 2.669 173 164 A 73 CYS H A 73 CYS HA 1.0 1.668 3.072 174 165 A 73 CYS HB2 A 73 CYS HB3 1.0 1.447 2.345 175 166 A 73 CYS H A 73 CYS HB2 1.0 1.751 3.429 176 167 A 74 HIS HA A 74 HIS HB3 1.0 1.564 2.700 177 168 A 74 HIS HA A 75 THR H 1.0 1.480 2.442 178 169 A 75 THR H A 74 HIS HB2 1.0 1.828 3.828 179 169 A 75 THR H A 74 HIS HB3 1.0 1.828 3.828 180 170 A 75 THR H A 75 THR HB 1.0 1.567 2.709 181 171 A 76 LYS HA A 76 LYS HBy 1.0 1.526 2.578 182 172 A 65 ASN HA A 56 LEU HB2 1.0 1.717 3.275 183 173 A 65 ASN HA A 56 LEU HD1% 1.0 1.622 2.902 184 174 A 76 LYS HA A 76 LYS HDy 1.0 1.609 3.255 185 175 A 77 LEU H A 76 LYS HA 1.0 1.504 2.510 186 176 A 77 LEU HA A 77 LEU HB3 1.0 1.619 2.889 187 177 A 77 LEU HA A 77 LEU HB2 1.0 1.764 3.486 188 178 A 77 LEU HB3 A 77 LEU HB2 1.0 1.611 2.863 189 179 A 77 LEU HD1% A 77 LEU HG 1.0 1.641 2.971 190 180 A 77 LEU HD1% A 77 LEU HB3 1.0 1.621 2.897 191 181 A 77 LEU HD1% A 89 PHE HB2 1.0 1.687 3.151 192 182 A 77 LEU HD1% A 91 CYS HA 1.0 1.816 3.754 193 183 A 77 LEU HD2% A 77 LEU HD1% 1.0 1.469 2.411 194 184 A 77 LEU HD2% A 77 LEU HG 1.0 1.592 2.796 195 185 A 77 LEU HD2% A 91 CYS HB2 1.0 1.467 2.401 196 186 A 77 LEU HD2% A 91 CYS HB3 1.0 1.670 3.078 197 187 A 70 CYS H A 77 LEU HD2% 1.0 1.720 3.288 198 188 A 77 LEU HD2% A 92 LYS H 1.0 1.824 3.800 199 189 A 77 LEU HD2% A 91 CYS H 1.0 1.713 3.259 200 190 A 79 LEU HA A 79 LEU HB3 1.0 1.611 2.863 201 191 A 79 LEU HA A 79 LEU HB2 1.0 1.604 2.838 202 192 A 79 LEU HB3 A 79 LEU HD1% 1.0 1.755 3.521 203 193 A 79 LEU HD2% A 79 LEU HG 1.0 1.504 2.510 204 194 A 79 LEU HD2% A 79 LEU HA 1.0 1.449 2.353 205 195 A 82 TYR HA A 82 TYR HB2 1.0 1.579 2.751 206 196 A 82 TYR HA A 82 TYR HB3 1.0 1.565 2.703 207 197 A 82 TYR HA A 82 TYR H 1.0 1.756 3.450 208 198 A 92 LYS H A 82 TYR HA 1.0 1.805 3.701 209 199 A 82 TYR HA A 83 ALA H 1.0 1.543 2.633 210 200 A 84 ALA H A 83 ALA HA 1.0 1.470 2.412 211 201 A 83 ALA H A 83 ALA HA 1.0 1.702 3.208 212 202 A 84 ALA H A 84 ALA HA 1.0 1.727 3.317 213 203 A 84 ALA HA A 85 LEU H 1.0 1.471 2.417 214 204 A 84 ALA HA A 84 ALA HB% 1.0 1.467 2.403 215 205 A 84 ALA H A 84 ALA HB% 1.0 1.517 2.551 216 206 A 85 LEU HA A 85 LEU HB2 1.0 1.645 2.987 217 207 A 99 PHE HD2 A 85 LEU HD1% 1.0 1.785 3.593 218 207 A 99 PHE HD1 A 85 LEU HD1% 1.0 1.785 3.593 219 208 A 86 HIS HA A 86 HIS HB3 1.0 1.540 2.622 220 209 A 88 GLU H A 87 GLY HA2 1.0 1.807 3.703 221 210 A 87 GLY HA2 A 87 GLY H 1.0 1.637 2.955 222 211 A 88 GLU HA A 88 GLU HG2 1.0 1.651 3.009 223 212 A 88 GLU HA A 88 GLU HB2 1.0 1.638 2.960 224 213 A 88 GLU H A 88 GLU HA 1.0 1.829 3.833 225 214 A 88 GLU HA A 89 PHE H 1.0 1.595 2.807 226 215 A 88 GLU HA A 88 GLU HG3 1.0 1.774 3.534 227 216 A 88 GLU HB2 A 88 GLU HG3 1.0 1.677 3.109 228 217 A 89 PHE HA A 89 PHE HD1 1.0 1.911 3.851 229 218 A 89 PHE HA A 90 TYR H 1.0 1.546 2.640 230 219 A 89 PHE HB2 A 89 PHE HB3 1.0 1.526 2.578 231 220 A 89 PHE HB2 A 89 PHE H 1.0 1.776 3.546 232 221 A 89 PHE HB2 A 90 TYR H 1.0 1.838 3.880 233 222 A 90 TYR HA A 90 TYR HB3 1.0 1.637 2.955 234 223 A 90 TYR HA A 90 TYR HB2 1.0 1.731 3.333 235 224 A 90 TYR H A 90 TYR HB2 1.0 1.757 3.457 236 225 A 91 CYS HA A 91 CYS HB2 1.0 1.585 2.771 237 226 A 91 CYS HA A 91 CYS HB3 1.0 1.621 2.897 238 227 A 91 CYS HA A 92 LYS H 1.0 1.573 2.731 239 228 A 91 CYS HA A 91 CYS H 1.0 1.821 3.789 240 229 A 91 CYS HB2 A 93 PRO HD3 1.0 1.778 3.556 241 230 A 91 CYS HB3 A 92 LYS H 1.0 1.760 3.470 242 231 A 91 CYS HB3 A 91 CYS H 1.0 1.863 4.039 243 232 A 92 LYS HA A 92 LYS HG3 1.0 1.783 3.581 244 233 A 92 LYS H A 92 LYS HA 1.0 1.697 3.191 245 234 A 92 LYS HA A 95 PHE H 1.0 1.805 3.693 246 235 A 92 LYS H A 92 LYS HB2 1.0 1.671 3.085 247 235 A 92 LYS H A 92 LYS HB3 1.0 1.671 3.085 248 236 A 93 PRO HA A 93 PRO HGx 1.0 1.693 3.173 249 237 A 94 HIS H A 93 PRO HB2 1.0 1.840 3.896 250 238 A 93 PRO HB2 A 93 PRO HB3 1.0 1.489 2.469 251 239 A 93 PRO HA A 93 PRO HB3 1.0 1.704 3.220 252 240 A 93 PRO HGx A 93 PRO HDx 1.0 1.521 2.565 253 241 A 93 PRO HD3 A 93 PRO HGx 1.0 1.615 2.875 254 242 A 93 PRO HDx A 93 PRO HG3 1.0 1.685 3.139 255 243 A 93 PRO HD3 A 93 PRO HG3 1.0 1.693 3.173 256 244 A 92 LYS H A 93 PRO HDx 1.0 1.723 3.299 257 245 A 94 HIS HA A 94 HIS HB3 1.0 1.723 3.303 258 246 A 94 HIS HA A 97 GLN H 1.0 1.782 3.578 259 247 A 94 HIS H A 94 HIS HA 1.0 1.809 3.715 260 248 A 94 HIS HB3 A 94 HIS HB2 1.0 1.526 2.578 261 249 A 94 HIS H A 94 HIS HB2 1.0 1.809 3.719 262 250 A 95 PHE HB2 A 95 PHE HA 1.0 1.644 2.982 263 251 A 95 PHE HA A 95 PHE HB3 1.0 1.719 3.281 264 252 A 95 PHE HA A 99 PHE HB3 1.0 1.808 3.712 265 253 A 95 PHE H A 95 PHE HA 1.0 1.732 3.342 266 254 A 98 LEU H A 95 PHE HA 1.0 2.049 4.351 267 255 A 96 GLN HA A 96 GLN HG3 1.0 1.697 3.189 268 256 A 96 GLN HB2 A 96 GLN HA 1.0 1.727 3.319 269 257 A 96 GLN HB2 A 97 GLN H 1.0 1.807 3.705 270 258 A 96 GLN HB2 A 96 GLN HG3 1.0 1.575 2.737 271 259 A 96 GLN HG3 A 96 GLN HBy 1.0 1.681 3.125 272 260 A 96 GLN H A 96 GLN HGx 1.0 1.768 3.508 273 261 A 96 GLN H A 96 GLN HG3 1.0 1.782 3.578 274 262 A 97 GLN HA A 97 GLN HB2 1.0 1.586 2.774 275 263 A 97 GLN H A 97 GLN HA 1.0 1.619 2.889 276 264 A 97 GLN H A 97 GLN HB2 1.0 1.740 3.372 277 265 A 96 GLN HGx A 103 GLY H 1.0 1.832 3.850 278 266 A 98 LEU HG A 98 LEU HA 1.0 1.683 3.133 279 267 A 98 LEU HA A 98 LEU HD2% 1.0 1.423 2.281 280 268 A 98 LEU H A 98 LEU HA 1.0 1.686 3.142 281 269 A 98 LEU HA A 99 PHE H 1.0 1.809 3.721 282 270 A 98 LEU HA A 98 LEU HB2 1.0 1.683 3.133 283 271 A 98 LEU HG A 98 LEU HB2 1.0 1.798 3.660 284 272 A 98 LEU H A 98 LEU HB2 1.0 1.771 3.521 285 273 A 98 LEU H A 98 LEU HB3 1.0 1.746 3.404 286 274 A 98 LEU HG A 98 LEU HD2% 1.0 1.484 2.452 287 275 A 99 PHE HB3 A 85 LEU HD2% 1.0 2.031 4.243 288 276 A 99 PHE HD1 A 99 PHE HB2 1.0 1.976 3.804 289 277 A 99 PHE HB3 A 99 PHE H 1.0 1.688 3.154 290 278 A 99 PHE HB2 A 99 PHE HA 1.0 1.604 2.834 291 279 A 99 PHE H A 99 PHE HA 1.0 1.667 3.071 292 280 A 67 CYS H A 67 CYS HA 1.0 1.721 3.293 293 281 A 40 LYS H A 39 VAL HA 1.0 1.775 3.541 294 282 A 40 LYS H A 40 LYS HA 1.0 1.951 4.799 295 283 A 40 LYS H A 39 VAL HG11 1.0 1.997 5.669 296 284 A 40 LYS H A 40 LYS HBy 1.0 1.939 4.655 297 285 A 41 GLU HG2 A 40 LYS H 1.0 2.000 5.940 298 286 A 40 LYS HA A 41 GLU H 1.0 1.569 2.715 299 287 A 41 GLU HBx A 41 GLU H 1.0 1.827 3.821 300 288 A 41 GLU H A 41 GLU HBy 1.0 1.835 3.867 301 289 A 41 GLU HG2 A 41 GLU H 1.0 1.920 4.484 302 290 A 41 GLU H A 41 GLU HGy 1.0 1.903 4.339 303 291 A 50 VAL HB A 41 GLU H 1.0 1.987 5.347 304 292 A 49 THR HG2% A 41 GLU H 1.0 1.994 5.562 305 293 A 41 GLU H A 42 THR H 1.0 1.965 4.979 306 294 A 41 GLU HA A 42 THR H 1.0 1.552 2.660 307 295 A 42 THR HB A 42 THR H 1.0 1.822 3.796 308 296 A 42 THR HG2% A 42 THR H 1.0 1.904 4.342 309 297 A 41 GLU HBx A 42 THR H 1.0 1.864 4.050 310 298 A 41 GLU HBy A 42 THR H 1.0 1.925 4.521 311 299 A 41 GLU HG2 A 42 THR H 1.0 2.058 5.172 312 300 A 41 GLU HGy A 42 THR H 1.0 1.987 5.365 313 301 A 43 CYS H A 48 LYS H 1.0 1.811 3.731 314 302 A 43 CYS H A 64 HIS HE1 1.0 1.995 5.585 315 303 A 43 CYS H A 63 PHE HA 1.0 2.000 6.136 316 304 A 43 CYS H A 43 CYS HA 1.0 1.735 3.353 317 305 A 43 CYS H A 43 CYS HB2 1.0 1.787 3.605 318 306 A 43 CYS H A 50 VAL HB 1.0 1.997 5.681 319 307 A 43 CYS H A 42 THR HG2% 1.0 1.885 4.193 320 308 A 43 CYS H A 62 ILE HG2% 1.0 1.999 5.831 321 309 A 44 ALA H A 64 HIS H 1.0 1.993 5.551 322 310 A 44 ALA H A 48 LYS H 1.0 1.999 5.817 323 311 A 44 ALA H A 62 ILE H 1.0 1.985 5.325 324 312 A 44 ALA H A 63 PHE HD2 1.0 1.995 5.609 325 312 A 44 ALA H A 63 PHE HD1 1.0 1.995 5.609 326 313 A 44 ALA H A 63 PHE HA 1.0 1.840 3.896 327 314 A 44 ALA H A 44 ALA HA 1.0 1.657 3.031 328 315 A 44 ALA H A 43 CYS HB2 1.0 1.961 4.923 329 316 A 44 ALA H A 45 ALA HB% 1.0 2.000 6.078 330 317 A 44 ALA H A 62 ILE HB 1.0 1.994 6.436 331 318 A 44 ALA H A 44 ALA HB% 1.0 1.687 3.149 332 319 A 44 ALA H A 43 CYS HB3 1.0 1.985 5.325 333 320 A 44 ALA H A 50 VAL HG2% 1.0 1.965 4.979 334 321 A 44 ALA H A 45 ALA H 1.0 1.796 3.648 335 322 A 45 ALA H A 63 PHE HE2 1.0 1.913 4.419 336 322 A 45 ALA H A 63 PHE HE1 1.0 1.913 4.419 337 323 A 45 ALA H A 63 PHE HA 1.0 1.974 5.128 338 324 A 45 ALA H A 67 CYS HB3 1.0 1.989 5.431 339 325 A 43 CYS HB3 A 45 ALA H 1.0 1.935 4.621 340 326 A 45 ALA H A 63 PHE HB2 1.0 1.978 5.186 341 327 A 45 ALA H A 44 ALA HB% 1.0 1.846 3.932 342 328 A 46 CYS H A 46 CYS HA 1.0 1.805 3.699 343 329 A 46 CYS H A 47 GLN HA 1.0 1.856 3.996 344 330 A 46 CYS H A 47 GLN HG2 1.0 1.918 4.462 345 331 A 46 CYS H A 44 ALA HB% 1.0 1.993 5.551 346 332 A 45 ALA H A 46 CYS H 1.0 1.662 3.048 347 333 A 44 ALA H A 46 CYS H 1.0 1.950 4.794 348 334 A 44 ALA H A 47 GLN H 1.0 1.996 5.656 349 335 A 45 ALA H A 47 GLN H 1.0 1.925 4.523 350 336 A 64 HIS HE1 A 47 GLN H 1.0 1.989 5.431 351 337 A 47 GLN HA A 47 GLN H 1.0 1.549 2.653 352 338 A 46 CYS HB2 A 47 GLN H 1.0 1.999 6.107 353 339 A 47 GLN H A 47 GLN HB3 1.0 1.892 4.244 354 340 A 47 GLN H A 47 GLN HB2 1.0 2.024 4.202 355 341 A 47 GLN HG2 A 47 GLN H 1.0 1.787 3.605 356 342 A 47 GLN H A 47 GLN HG3 1.0 1.780 3.570 357 343 A 44 ALA HB% A 47 GLN H 1.0 1.928 4.560 358 344 A 49 THR H A 48 LYS H 1.0 1.979 5.201 359 345 A 48 LYS H A 64 HIS HE1 1.0 1.900 4.314 360 346 A 48 LYS HA A 48 LYS H 1.0 1.801 3.673 361 347 A 47 GLN HA A 48 LYS H 1.0 1.791 3.623 362 348 A 42 THR HB A 48 LYS H 1.0 2.188 5.798 363 349 A 43 CYS HB3 A 48 LYS H 1.0 1.821 3.783 364 350 A 48 LYS HEy A 48 LYS H 1.0 2.000 5.956 365 351 A 48 LYS H A 47 GLN HB3 1.0 1.975 5.131 366 352 A 48 LYS H A 47 GLN HB2 1.0 1.946 4.738 367 353 A 48 LYS HBy A 48 LYS H 1.0 1.703 3.215 368 354 A 48 LYS HGx A 48 LYS H 1.0 1.864 4.048 369 355 A 48 LYS HGy A 48 LYS H 1.0 1.810 3.726 370 356 A 48 LYS HDy A 48 LYS H 1.0 1.839 3.889 371 357 A 42 THR HG2% A 48 LYS H 1.0 1.987 5.379 372 358 A 50 VAL HG2% A 48 LYS H 1.0 2.000 6.098 373 359 A 50 VAL H A 49 THR H 1.0 1.946 4.734 374 360 A 49 THR H A 64 HIS HE1 1.0 1.997 6.339 375 361 A 48 LYS HA A 49 THR H 1.0 1.619 2.889 376 362 A 49 THR HA A 49 THR H 1.0 1.805 3.693 377 363 A 49 THR H A 49 THR HB 1.0 1.654 3.018 378 364 A 48 LYS HBx A 49 THR H 1.0 1.765 3.493 379 365 A 49 THR HA A 50 VAL H 1.0 1.547 2.645 380 366 A 50 VAL H A 49 THR HB 1.0 1.835 3.867 381 367 A 48 LYS HBx A 50 VAL H 1.0 2.000 5.956 382 368 A 42 THR HA A 50 VAL H 1.0 1.742 3.386 383 369 A 48 LYS HA A 50 VAL H 1.0 2.000 5.982 384 370 A 50 VAL H A 51 TYR H 1.0 1.987 5.379 385 371 A 51 TYR H A 51 TYR HD1 1.0 1.887 4.215 386 372 A 51 TYR H A 51 TYR HA 1.0 1.863 4.047 387 373 A 51 TYR H A 54 GLU HB2 1.0 1.902 4.326 388 374 A 51 TYR H A 50 VAL HB 1.0 1.997 5.689 389 375 A 49 THR HG2% A 51 TYR H 1.0 1.998 5.782 390 376 A 50 VAL HG2% A 51 TYR H 1.0 1.939 4.665 391 377 A 52 PRO HA A 53 MET H 1.0 1.971 5.057 392 378 A 51 TYR HB3 A 53 MET H 1.0 2.000 5.908 393 379 A 53 MET H A 53 MET HG2 1.0 1.963 4.953 394 380 A 53 MET HG3 A 53 MET H 1.0 1.960 4.910 395 381 A 53 MET H A 53 MET HB3 1.0 1.779 3.561 396 382 A 53 MET H A 54 GLU HG2 1.0 1.922 4.492 397 383 A 52 PRO HB2 A 53 MET H 1.0 1.939 4.663 398 384 A 51 TYR H A 54 GLU H 1.0 1.978 5.186 399 385 A 54 GLU H A 56 LEU H 1.0 1.999 5.831 400 386 A 53 MET H A 54 GLU H 1.0 1.785 3.591 401 387 A 55 ARG H A 54 GLU H 1.0 1.589 2.785 402 388 A 54 GLU H A 54 GLU HA 1.0 1.828 3.828 403 389 A 52 PRO HA A 54 GLU H 1.0 1.983 5.277 404 390 A 54 GLU H A 55 ARG HA 1.0 1.955 4.847 405 391 A 51 TYR HB3 A 54 GLU H 1.0 2.000 6.024 406 392 A 54 GLU H A 54 GLU HG3 1.0 1.782 3.574 407 393 A 54 GLU H A 54 GLU HG2 1.0 1.761 3.471 408 394 A 54 GLU H A 53 MET HB2 1.0 1.888 4.222 409 394 A 54 GLU H A 53 MET HB3 1.0 1.888 4.222 410 395 A 50 VAL HG1% A 54 GLU H 1.0 1.986 5.334 411 396 A 51 TYR H A 55 ARG H 1.0 2.000 5.940 412 397 A 55 ARG H A 56 LEU H 1.0 1.930 4.578 413 398 A 55 ARG H A 53 MET HA 1.0 1.954 4.836 414 399 A 55 ARG HDx A 55 ARG H 1.0 1.998 5.754 415 400 A 55 ARG H A 55 ARG HDy 1.0 1.999 5.847 416 401 A 55 ARG H A 54 GLU HB3 1.0 1.948 4.754 417 402 A 55 ARG H A 54 GLU HG2 1.0 1.941 4.687 418 403 A 54 GLU HB2 A 55 ARG H 1.0 1.934 4.608 419 404 A 55 ARG H A 55 ARG HB2 1.0 1.708 3.236 420 405 A 55 ARG HB3 A 55 ARG H 1.0 1.719 3.283 421 406 A 55 ARG H A 55 ARG HG3 1.0 1.942 4.688 422 407 A 55 ARG H A 55 ARG HG2 1.0 1.954 4.834 423 408 A 50 VAL HG1% A 55 ARG H 1.0 1.927 4.545 424 409 A 56 LEU H A 63 PHE HA 1.0 1.998 5.760 425 410 A 56 LEU H A 57 VAL HA 1.0 1.975 5.131 426 411 A 56 LEU H A 56 LEU HA 1.0 1.830 3.834 427 412 A 56 LEU H A 65 ASN HB3 1.0 1.993 6.463 428 413 A 55 ARG HB3 A 56 LEU H 1.0 1.901 4.317 429 414 A 55 ARG HB2 A 56 LEU H 1.0 1.907 4.373 430 415 A 55 ARG HG3 A 56 LEU H 1.0 1.784 3.588 431 416 A 56 LEU H A 56 LEU HB2 1.0 1.718 3.278 432 417 A 56 LEU H A 56 LEU HB3 1.0 1.834 3.860 433 418 A 56 LEU H A 56 LEU HD2% 1.0 1.994 5.546 434 419 A 56 LEU H A 56 LEU HD1% 1.0 1.903 4.333 435 420 A 50 VAL HG1% A 56 LEU H 1.0 1.818 3.772 436 421 A 56 LEU H A 57 VAL H 1.0 1.999 5.847 437 422 A 57 VAL H A 57 VAL HA 1.0 1.891 4.241 438 423 A 57 VAL H A 57 VAL HB 1.0 1.735 3.353 439 424 A 56 LEU HG A 57 VAL H 1.0 1.785 3.591 440 425 A 56 LEU HD2% A 57 VAL H 1.0 1.916 4.440 441 426 A 63 PHE HD2 A 58 ALA H 1.0 1.964 4.964 442 426 A 63 PHE HD1 A 58 ALA H 1.0 1.964 4.964 443 427 A 57 VAL HA A 58 ALA H 1.0 1.639 2.963 444 428 A 58 ALA HA A 58 ALA H 1.0 1.818 3.772 445 429 A 62 ILE HA A 58 ALA H 1.0 1.814 3.748 446 430 A 61 LEU HB3 A 58 ALA H 1.0 1.995 5.585 447 431 A 57 VAL HB A 58 ALA H 1.0 1.972 5.090 448 432 A 58 ALA H A 61 LEU HD1% 1.0 1.994 6.424 449 433 A 58 ALA H A 58 ALA HB% 1.0 1.792 3.628 450 434 A 57 VAL HG2% A 58 ALA H 1.0 1.786 3.596 451 435 A 56 LEU HD2% A 58 ALA H 1.0 2.000 6.098 452 436 A 59 ASP H A 60 LYS H 1.0 1.780 3.570 453 437 A 58 ALA HA A 59 ASP H 1.0 1.571 2.725 454 438 A 60 LYS HA A 59 ASP H 1.0 2.000 6.126 455 439 A 59 ASP H A 59 ASP HB2 1.0 1.904 4.346 456 440 A 59 ASP H A 59 ASP HB3 1.0 1.914 4.426 457 441 A 79 LEU HD2% A 59 ASP H 1.0 1.977 5.171 458 442 A 57 VAL HG2% A 59 ASP H 1.0 1.923 4.499 459 443 A 59 ASP H A 58 ALA HB% 1.0 1.864 4.050 460 444 A 59 ASP HA A 60 LYS H 1.0 1.753 3.439 461 445 A 60 LYS H A 60 LYS HB2 1.0 1.852 3.972 462 446 A 60 LYS H A 60 LYS HDx 1.0 1.995 5.585 463 447 A 57 VAL HG2% A 60 LYS H 1.0 1.914 4.426 464 448 A 60 LYS H A 60 LYS HG2 1.0 2.195 4.769 465 449 A 61 LEU H A 58 ALA H 1.0 1.860 4.026 466 450 A 61 LEU H A 63 PHE HE2 1.0 1.999 5.795 467 450 A 61 LEU H A 63 PHE HE1 1.0 1.999 5.795 468 451 A 59 ASP HA A 61 LEU H 1.0 1.961 4.923 469 452 A 60 LYS HA A 61 LEU H 1.0 1.831 3.841 470 453 A 61 LEU H A 59 ASP HB2 1.0 1.988 5.412 471 454 A 61 LEU H A 59 ASP HB3 1.0 1.985 5.329 472 455 A 61 LEU H A 61 LEU HB3 1.0 1.733 3.347 473 456 A 61 LEU HG A 61 LEU H 1.0 1.792 3.628 474 457 A 61 LEU H A 58 ALA HB% 1.0 1.990 5.436 475 458 A 57 VAL HG2% A 61 LEU H 1.0 1.939 4.665 476 459 A 61 LEU H A 61 LEU HD1% 1.0 1.910 4.394 477 460 A 62 ILE H A 63 PHE H 1.0 1.950 4.782 478 461 A 62 ILE H A 61 LEU H 1.0 1.999 5.847 479 462 A 62 ILE H A 61 LEU HB3 1.0 1.891 4.237 480 463 A 62 ILE H A 62 ILE HG12 1.0 1.854 3.980 481 464 A 62 ILE H A 62 ILE HG13 1.0 1.902 4.332 482 465 A 62 ILE H A 62 ILE HD1% 1.0 1.925 4.523 483 466 A 63 PHE H A 57 VAL HA 1.0 1.939 4.663 484 467 A 63 PHE H A 63 PHE HB3 1.0 1.908 4.378 485 468 A 63 PHE H A 62 ILE HB 1.0 1.975 5.139 486 469 A 63 PHE H A 62 ILE HD1% 1.0 1.865 4.059 487 470 A 63 PHE H A 64 HIS H 1.0 1.969 5.031 488 471 A 67 CYS H A 64 HIS H 1.0 1.962 4.930 489 472 A 64 HIS H A 64 HIS HD2 1.0 1.997 6.327 490 473 A 63 PHE HA A 64 HIS H 1.0 1.700 3.200 491 474 A 64 HIS HA A 64 HIS H 1.0 1.907 4.367 492 475 A 43 CYS HA A 64 HIS H 1.0 1.961 4.927 493 476 A 64 HIS H A 64 HIS HB3 1.0 1.865 4.057 494 477 A 64 HIS H A 64 HIS HB2 1.0 1.861 4.031 495 478 A 63 PHE HB3 A 64 HIS H 1.0 1.759 3.467 496 479 A 45 ALA HB% A 64 HIS H 1.0 1.992 6.502 497 480 A 50 VAL HG1% A 64 HIS H 1.0 1.984 5.294 498 481 A 50 VAL HG2% A 64 HIS H 1.0 1.927 4.549 499 482 A 65 ASN H A 66 SER H 1.0 1.947 4.745 500 483 A 65 ASN H A 64 HIS H 1.0 1.994 5.574 501 484 A 65 ASN H A 64 HIS HD2 1.0 1.993 6.475 502 485 A 64 HIS HA A 65 ASN H 1.0 1.666 3.064 503 486 A 55 ARG HA A 65 ASN H 1.0 1.956 4.864 504 487 A 65 ASN H A 64 HIS HB3 1.0 1.977 5.161 505 488 A 65 ASN H A 64 HIS HB2 1.0 1.920 4.486 506 489 A 65 ASN HB3 A 65 ASN H 1.0 1.945 3.799 507 490 A 54 GLU HB2 A 65 ASN H 1.0 1.914 4.424 508 491 A 56 LEU HB3 A 65 ASN H 1.0 1.981 5.249 509 492 A 50 VAL HG2% A 65 ASN H 1.0 1.998 6.282 510 493 A 66 SER HA A 66 SER H 1.0 1.879 4.155 511 494 A 66 SER H A 66 SER HB2 1.0 1.908 4.376 512 495 A 64 HIS HB2 A 66 SER H 1.0 1.984 5.298 513 496 A 65 ASN HB2 A 66 SER H 1.0 1.961 4.927 514 497 A 65 ASN H A 67 CYS H 1.0 1.985 5.321 515 498 A 67 CYS H A 66 SER H 1.0 1.889 4.225 516 499 A 67 CYS H A 68 PHE HE2 1.0 1.997 6.305 517 499 A 67 CYS H A 68 PHE HE1 1.0 1.997 6.305 518 500 A 67 CYS H A 67 CYS HB3 1.0 1.801 3.673 519 501 A 65 ASN H A 68 PHE H 1.0 1.999 6.165 520 502 A 66 SER H A 68 PHE H 1.0 2.000 5.932 521 503 A 67 CYS HA A 68 PHE H 1.0 1.914 4.424 522 504 A 68 PHE HA A 68 PHE H 1.0 1.808 3.714 523 505 A 68 PHE H A 68 PHE HB3 1.0 1.786 3.596 524 506 A 68 PHE HB2 A 68 PHE H 1.0 1.803 3.683 525 507 A 67 CYS HB2 A 68 PHE H 1.0 1.925 4.523 526 508 A 56 LEU HD2% A 68 PHE H 1.0 1.998 6.282 527 509 A 69 CYS H A 68 PHE HD2 1.0 1.950 4.784 528 509 A 69 CYS H A 68 PHE HD1 1.0 1.950 4.784 529 510 A 69 CYS H A 68 PHE HB3 1.0 1.992 5.482 530 511 A 69 CYS H A 69 CYS HB3 1.0 1.868 4.082 531 512 A 69 CYS H A 77 LEU HG 1.0 1.999 5.825 532 513 A 69 CYS H A 77 LEU HD1% 1.0 1.956 4.864 533 514 A 71 LYS H A 70 CYS H 1.0 1.934 4.616 534 515 A 70 CYS H A 90 TYR HA 1.0 1.996 5.626 535 516 A 70 CYS H A 74 HIS HA 1.0 1.876 4.138 536 517 A 70 CYS H A 70 CYS HA 1.0 1.818 3.766 537 518 A 70 CYS H A 70 CYS HB3 1.0 1.762 3.478 538 519 A 70 CYS H A 70 CYS HB2 1.0 1.776 3.548 539 520 A 69 CYS HB2 A 70 CYS H 1.0 1.859 4.013 540 521 A 69 CYS HB3 A 70 CYS H 1.0 1.848 3.948 541 522 A 70 CYS H A 75 THR HG2% 1.0 1.946 4.736 542 523 A 70 CYS H A 77 LEU HG 1.0 1.890 4.230 543 524 A 70 CYS H A 77 LEU HD1% 1.0 1.978 5.190 544 525 A 71 LYS H A 72 HIS H 1.0 1.828 3.828 545 526 A 71 LYS H A 90 TYR HA 1.0 1.811 3.731 546 527 A 71 LYS H A 72 HIS HB2 1.0 1.957 4.867 547 527 A 71 LYS H A 72 HIS HB3 1.0 1.957 4.867 548 528 A 71 LYS H A 70 CYS HB2 1.0 1.959 4.891 549 529 A 71 LYS H A 69 CYS HB3 1.0 1.992 6.530 550 530 A 71 LYS H A 71 LYS HD3 1.0 1.937 4.637 551 531 A 71 LYS H A 71 LYS HB2 1.0 1.784 3.588 552 532 A 71 LYS H A 71 LYS HG3 1.0 1.944 4.718 553 533 A 71 LYS H A 77 LEU HD1% 1.0 1.997 5.675 554 534 A 73 CYS H A 72 HIS H 1.0 1.669 3.079 555 535 A 72 HIS H A 90 TYR HE2 1.0 1.952 4.808 556 535 A 72 HIS H A 90 TYR HE1 1.0 1.952 4.808 557 536 A 72 HIS H A 90 TYR HA 1.0 1.980 5.222 558 537 A 70 CYS HA A 72 HIS H 1.0 1.977 5.153 559 538 A 71 LYS HA A 72 HIS H 1.0 1.917 4.453 560 539 A 70 CYS HB3 A 72 HIS H 1.0 1.965 4.985 561 540 A 72 HIS HB3 A 72 HIS H 1.0 1.635 2.945 562 541 A 71 LYS HB3 A 72 HIS H 1.0 1.962 4.936 563 542 A 71 LYS HG2 A 72 HIS H 1.0 1.939 4.655 564 543 A 72 HIS H A 98 LEU HD1% 1.0 2.000 6.034 565 544 A 73 CYS H A 75 THR HG2% 1.0 1.992 6.516 566 545 A 73 CYS H A 72 HIS HB2 1.0 1.711 3.245 567 545 A 72 HIS HB3 A 73 CYS H 1.0 1.711 3.245 568 546 A 73 CYS H A 73 CYS HB3 1.0 1.816 3.754 569 547 A 73 CYS H A 72 HIS HD2 1.0 2.000 5.948 570 548 A 73 CYS H A 90 TYR HD2 1.0 1.999 6.175 571 548 A 73 CYS H A 90 TYR HD1 1.0 1.999 6.175 572 549 A 75 THR H A 74 HIS HD2 1.0 1.997 6.339 573 550 A 69 CYS HA A 75 THR H 1.0 1.999 5.869 574 551 A 75 THR H A 73 CYS HA 1.0 1.982 5.258 575 552 A 75 THR H A 73 CYS HB2 1.0 2.000 5.884 576 553 A 75 THR H A 75 THR HG2% 1.0 1.782 3.574 577 554 A 75 THR HG2% A 76 LYS H 1.0 1.863 4.045 578 555 A 76 LYS H A 76 LYS HBx 1.0 1.706 3.344 579 556 A 76 LYS HBy A 76 LYS H 1.0 1.869 3.479 580 557 A 76 LYS H A 75 THR HA 1.0 1.477 2.431 581 558 A 69 CYS HA A 76 LYS H 1.0 2.000 6.006 582 559 A 78 SER H A 79 LEU H 1.0 1.996 5.656 583 560 A 68 PHE HD2 A 78 SER H 1.0 1.988 5.388 584 560 A 68 PHE HD1 A 78 SER H 1.0 1.988 5.388 585 561 A 78 SER H A 78 SER HA 1.0 1.793 3.633 586 562 A 77 LEU H A 77 LEU HA 1.0 1.896 4.274 587 563 A 77 LEU H A 82 TYR HB2 1.0 1.999 6.227 588 564 A 69 CYS HB3 A 77 LEU H 1.0 2.000 5.908 589 565 A 69 CYS HB2 A 77 LEU H 1.0 1.999 6.155 590 566 A 77 LEU H A 76 LYS HBx 1.0 1.901 4.323 591 567 A 77 LEU H A 76 LYS HGy 1.0 1.930 5.180 592 568 A 77 LEU H A 77 LEU HG 1.0 1.818 3.766 593 569 A 77 LEU H A 77 LEU HD2% 1.0 1.904 4.336 594 570 A 77 LEU H A 77 LEU HB3 1.0 1.901 4.317 595 571 A 77 LEU H A 77 LEU HB2 1.0 1.862 4.034 596 572 A 77 LEU H A 77 LEU HD1% 1.0 1.956 4.856 597 573 A 69 CYS H A 77 LEU H 1.0 1.995 5.615 598 574 A 77 LEU H A 70 CYS H 1.0 1.897 4.287 599 575 A 78 SER H A 78 SER HB2 1.0 1.745 3.399 600 576 A 82 TYR HB3 A 78 SER H 1.0 1.997 5.669 601 577 A 82 TYR HB2 A 78 SER H 1.0 1.984 5.290 602 578 A 77 LEU HG A 78 SER H 1.0 1.999 5.803 603 579 A 77 LEU HB2 A 78 SER H 1.0 1.887 4.207 604 580 A 77 LEU HD1% A 78 SER H 1.0 1.992 5.502 605 581 A 79 LEU HA A 79 LEU H 1.0 1.940 4.680 606 582 A 79 LEU H A 78 SER HB3 1.0 1.879 4.155 607 583 A 79 LEU H A 78 SER HA 1.0 1.779 3.557 608 584 A 79 LEU HB2 A 79 LEU H 1.0 1.867 4.071 609 585 A 79 LEU HB3 A 79 LEU H 1.0 1.803 3.683 610 586 A 79 LEU HD2% A 79 LEU H 1.0 1.989 5.427 611 587 A 79 LEU HD1% A 79 LEU H 1.0 2.000 5.900 612 588 A 79 LEU H A 81 SER H 1.0 1.994 5.574 613 589 A 81 SER H A 82 TYR HD2 1.0 1.930 4.578 614 589 A 81 SER H A 82 TYR HD1 1.0 1.930 4.578 615 590 A 82 TYR HA A 81 SER H 1.0 1.994 6.436 616 591 A 81 SER H A 81 SER HA 1.0 1.744 3.392 617 592 A 81 SER H A 81 SER HB2 1.0 1.746 3.402 618 593 A 82 TYR HB2 A 81 SER H 1.0 1.999 5.839 619 594 A 82 TYR H A 82 TYR HD1 1.0 1.942 3.786 620 595 A 82 TYR H A 68 PHE HE2 1.0 2.000 6.006 621 595 A 82 TYR H A 68 PHE HE1 1.0 2.000 6.006 622 596 A 82 TYR H A 81 SER HA 1.0 1.720 3.288 623 597 A 82 TYR H A 81 SER HB3 1.0 1.883 4.179 624 598 A 82 TYR HB2 A 82 TYR H 1.0 1.810 3.720 625 599 A 82 TYR HB3 A 82 TYR H 1.0 1.923 4.505 626 600 A 82 TYR H A 92 LYS HDx 1.0 1.962 4.938 627 600 A 82 TYR H A 92 LYS HDy 1.0 1.962 4.938 628 601 A 82 TYR H A 92 LYS HG3 1.0 1.990 5.456 629 602 A 82 TYR H A 92 LYS HG2 1.0 1.997 5.701 630 603 A 77 LEU HD2% A 82 TYR H 1.0 2.000 5.854 631 604 A 77 LEU HB3 A 82 TYR H 1.0 1.991 5.461 632 605 A 82 TYR H A 83 ALA H 1.0 1.981 5.249 633 606 A 83 ALA H A 82 TYR HE2 1.0 1.990 5.456 634 606 A 83 ALA H A 82 TYR HE1 1.0 1.990 5.456 635 607 A 91 CYS HA A 83 ALA H 1.0 1.965 4.979 636 608 A 82 TYR HB3 A 83 ALA H 1.0 1.744 3.396 637 609 A 82 TYR HB2 A 83 ALA H 1.0 1.806 3.704 638 610 A 89 PHE HB2 A 83 ALA H 1.0 1.997 6.327 639 611 A 83 ALA H A 92 LYS HG2 1.0 1.997 6.293 640 612 A 83 ALA H A 84 ALA HB% 1.0 1.999 6.217 641 613 A 83 ALA H A 83 ALA HB% 1.0 1.773 3.533 642 614 A 77 LEU HD1% A 83 ALA H 1.0 1.974 5.118 643 615 A 84 ALA H A 83 ALA HB% 1.0 1.734 3.350 644 616 A 84 ALA H A 82 TYR HE2 1.0 1.942 4.696 645 616 A 84 ALA H A 82 TYR HE1 1.0 1.942 4.696 646 617 A 84 ALA H A 82 TYR HD2 1.0 1.919 4.471 647 617 A 84 ALA H A 82 TYR HD1 1.0 1.919 4.471 648 618 A 84 ALA H A 85 LEU H 1.0 1.927 4.547 649 619 A 85 LEU H A 88 GLU H 1.0 1.769 3.513 650 620 A 85 LEU H A 89 PHE HA 1.0 1.932 4.598 651 621 A 85 LEU H A 85 LEU HA 1.0 1.802 3.678 652 622 A 85 LEU H A 88 GLU HB3 1.0 1.988 5.388 653 623 A 85 LEU H A 85 LEU HB3 1.0 1.816 3.760 654 624 A 85 LEU H A 85 LEU HB2 1.0 1.837 3.881 655 625 A 85 LEU H A 84 ALA HB% 1.0 1.813 3.737 656 626 A 85 LEU H A 85 LEU HD1% 1.0 1.986 5.334 657 627 A 85 LEU H A 85 LEU HD2% 1.0 1.993 5.529 658 628 A 84 ALA HB% A 87 GLY H 1.0 2.000 6.016 659 629 A 86 HIS HA A 87 GLY H 1.0 1.802 3.678 660 630 A 88 GLU H A 87 GLY H 1.0 1.831 3.841 661 631 A 84 ALA HA A 88 GLU H 1.0 2.178 5.568 662 632 A 88 GLU H A 86 HIS HB2 1.0 1.982 5.266 663 632 A 86 HIS HB3 A 88 GLU H 1.0 1.982 5.266 664 633 A 88 GLU H A 88 GLU HB2 1.0 1.897 4.285 665 634 A 88 GLU H A 88 GLU HB3 1.0 1.769 3.513 666 635 A 88 GLU H A 88 GLU HG2 1.0 1.779 3.557 667 636 A 88 GLU H A 88 GLU HG3 1.0 1.865 4.057 668 637 A 88 GLU H A 85 LEU HB3 1.0 2.000 5.916 669 638 A 84 ALA HB% A 88 GLU H 1.0 1.992 5.502 670 639 A 71 LYS H A 89 PHE H 1.0 1.989 5.421 671 640 A 85 LEU H A 89 PHE H 1.0 1.987 5.379 672 641 A 88 GLU H A 89 PHE H 1.0 1.988 5.388 673 642 A 90 TYR HE2 A 89 PHE H 1.0 1.999 6.155 674 642 A 90 TYR HE1 A 89 PHE H 1.0 1.999 6.155 675 643 A 84 ALA HA A 89 PHE H 1.0 1.999 6.175 676 644 A 89 PHE H A 89 PHE HA 1.0 1.913 4.421 677 645 A 89 PHE H A 89 PHE HB3 1.0 1.779 3.561 678 646 A 89 PHE H A 88 GLU HB3 1.0 1.854 3.988 679 647 A 71 LYS H A 90 TYR H 1.0 1.974 5.128 680 648 A 83 ALA H A 90 TYR H 1.0 1.870 4.092 681 649 A 90 TYR H A 90 TYR HD1 1.0 2.116 5.460 682 650 A 90 TYR H A 90 TYR HA 1.0 1.907 4.367 683 651 A 84 ALA HA A 90 TYR H 1.0 1.890 4.232 684 652 A 70 CYS HA A 90 TYR H 1.0 1.989 5.417 685 653 A 90 TYR H A 90 TYR HB3 1.0 1.900 4.312 686 654 A 84 ALA HB% A 90 TYR H 1.0 2.000 6.126 687 655 A 90 TYR H A 83 ALA HB% 1.0 1.976 5.150 688 656 A 92 LYS H A 91 CYS H 1.0 1.989 5.427 689 657 A 91 CYS H A 90 TYR HA 1.0 1.673 3.095 690 658 A 70 CYS HA A 91 CYS H 1.0 1.868 4.076 691 659 A 91 CYS H A 94 HIS HB3 1.0 1.780 3.566 692 660 A 91 CYS HB2 A 91 CYS H 1.0 1.749 3.419 693 661 A 91 CYS H A 75 THR HG2% 1.0 1.996 5.632 694 662 A 92 LYS H A 92 LYS HG3 1.0 1.859 4.023 695 663 A 92 LYS H A 92 LYS HG2 1.0 1.944 4.720 696 664 A 92 LYS H A 92 LYS HDy 1.0 1.994 5.546 697 665 A 92 LYS H A 92 LYS HB3 1.0 1.717 3.273 698 666 A 94 HIS H A 95 PHE HB3 1.0 1.982 5.262 699 667 A 94 HIS H A 94 HIS HB3 1.0 1.775 3.541 700 668 A 93 PRO HA A 94 HIS H 1.0 1.936 4.634 701 669 A 94 HIS H A 94 HIS HD2 1.0 1.983 5.273 702 670 A 95 PHE H A 94 HIS H 1.0 1.718 3.278 703 671 A 91 CYS H A 94 HIS H 1.0 1.973 5.107 704 672 A 91 CYS H A 95 PHE H 1.0 1.994 5.568 705 673 A 96 GLN H A 95 PHE H 1.0 1.697 3.189 706 674 A 95 PHE H A 95 PHE HD1 1.0 1.962 4.932 707 675 A 90 TYR HA A 95 PHE H 1.0 1.996 6.362 708 676 A 95 PHE H A 94 HIS HA 1.0 1.925 4.525 709 677 A 95 PHE H A 93 PRO HA 1.0 1.969 5.025 710 678 A 95 PHE H A 94 HIS HB3 1.0 1.826 3.814 711 679 A 95 PHE H A 95 PHE HB2 1.0 1.732 3.338 712 680 A 95 PHE H A 95 PHE HB3 1.0 1.748 3.412 713 681 A 95 PHE H A 83 ALA HB% 1.0 1.952 4.808 714 682 A 96 GLN H A 94 HIS HD2 1.0 1.998 6.260 715 683 A 96 GLN H A 92 LYS HA 1.0 1.877 4.139 716 684 A 96 GLN H A 96 GLN HA 1.0 1.722 3.294 717 685 A 96 GLN H A 95 PHE HB3 1.0 1.801 3.673 718 686 A 96 GLN H A 95 PHE HB2 1.0 1.878 4.148 719 687 A 96 GLN H A 96 GLN HBy 1.0 1.689 3.155 720 688 A 96 GLN H A 97 GLN H 1.0 1.757 3.457 721 689 A 97 GLN H A 97 GLN HG3 1.0 1.862 4.034 722 690 A 97 GLN H A 97 GLN HB3 1.0 1.651 3.009 723 691 A 97 GLN H A 97 GLN HG2 1.0 1.783 3.583 724 692 A 93 PRO HB2 A 97 GLN H 1.0 1.997 5.727 725 693 A 97 GLN H A 98 LEU HB3 1.0 2.000 6.136 726 694 A 98 LEU H A 99 PHE H 1.0 1.680 3.120 727 695 A 98 LEU H A 90 TYR HE2 1.0 1.993 5.541 728 695 A 98 LEU H A 90 TYR HE1 1.0 1.993 5.541 729 696 A 98 LEU H A 97 GLN HA 1.0 1.931 4.583 730 697 A 98 LEU H A 94 HIS HB2 1.0 1.995 6.411 731 698 A 98 LEU H A 99 PHE HB3 1.0 1.992 6.502 732 699 A 98 LEU H A 97 GLN HG3 1.0 1.998 6.248 733 700 A 98 LEU H A 97 GLN HB2 1.0 1.835 3.867 734 701 A 98 LEU H A 97 GLN HB3 1.0 1.841 3.903 735 702 A 98 LEU H A 98 LEU HD1% 1.0 1.929 4.569 736 703 A 96 GLN H A 99 PHE H 1.0 2.000 5.982 737 704 A 90 TYR HE2 A 99 PHE H 1.0 1.844 3.918 738 704 A 90 TYR HE1 A 99 PHE H 1.0 1.844 3.918 739 705 A 99 PHE H A 99 PHE HB2 1.0 1.782 3.574 740 706 A 98 LEU HG A 99 PHE H 1.0 1.985 5.303 741 707 A 99 PHE H A 98 LEU HB3 1.0 1.868 4.074 742 708 A 99 PHE H A 98 LEU HB2 1.0 1.902 4.324 743 709 A 99 PHE H A 98 LEU HD1% 1.0 1.996 5.620 744 710 A 100 LYS H A 90 TYR HE2 1.0 2.000 6.070 745 710 A 100 LYS H A 90 TYR HE1 1.0 2.000 6.070 746 711 A 100 LYS H A 100 LYS HA 1.0 1.824 3.802 747 712 A 100 LYS H A 99 PHE HB3 1.0 1.960 4.908 748 713 A 100 LYS H A 100 LYS HBx 1.0 1.845 3.925 749 714 A 100 LYS H A 100 LYS HBy 1.0 1.846 3.932 750 715 A 100 LYS H A 100 LYS HGx 1.0 1.951 4.799 751 716 A 100 LYS H A 100 LYS HGy 1.0 1.949 4.775 752 717 A 103 GLY H A 103 GLY HAy 1.0 1.960 4.910 753 718 A 92 LYS H A 103 GLY H 1.0 2.000 6.070 754 719 A 105 TYR H A 106 ASP HA 1.0 1.987 5.365 755 720 A 105 TYR H A 105 TYR HBx 1.0 1.978 5.186 756 721 A 105 TYR H A 105 TYR HBy 1.0 1.986 5.334 757 722 A 106 ASP HA A 106 ASP H 1.0 1.782 3.578 758 723 A 106 ASP H A 106 ASP HBx 1.0 1.882 4.172 759 724 A 106 ASP H A 106 ASP HBy 1.0 1.885 4.199 760 725 A 105 TYR HBx A 106 ASP H 1.0 1.987 5.347 761 726 A 105 TYR HBy A 106 ASP H 1.0 1.981 5.237 762 727 A 107 GLU H A 107 GLU HA 1.0 1.859 4.019 763 728 A 106 ASP HA A 107 GLU H 1.0 1.747 3.405 764 729 A 106 ASP HBx A 107 GLU H 1.0 1.969 5.037 765 730 A 106 ASP HBy A 107 GLU H 1.0 1.969 5.037 766 731 A 107 GLU H A 107 GLU HGy 1.0 1.954 4.836 767 732 A 107 GLU H A 107 GLU HBx 1.0 1.903 4.337 768 733 A 107 GLU H A 107 GLU HBy 1.0 1.938 4.654 769 734 A 43 CYS H A 47 GLN HB2 1.0 1.974 5.118 770 735 A 96 GLN H A 95 PHE HD2 1.0 1.935 4.617 771 735 A 96 GLN H A 95 PHE HD1 1.0 1.935 4.617 772 736 A 68 PHE HD1 A 68 PHE H 1.0 1.947 4.749 773 737 A 72 HIS H A 72 HIS HD2 1.0 1.990 6.558 774 738 A 41 GLU HA A 41 GLU HGy 1.0 1.735 3.351 775 739 A 42 THR HA A 42 THR HG2% 1.0 1.432 2.306 776 740 A 43 CYS HA A 43 CYS HB2 1.0 1.582 3.162 777 741 A 44 ALA HA A 44 ALA HB% 1.0 1.307 1.985 778 742 A 45 ALA HA A 45 ALA HB% 1.0 1.354 2.100 779 743 A 47 GLN HA A 47 GLN HB2 1.0 1.628 2.922 780 744 A 47 GLN HA A 47 GLN HG3 1.0 1.644 2.978 781 745 A 47 GLN HA A 47 GLN HG2 1.0 1.566 2.708 782 746 A 49 THR HA A 49 THR HG2% 1.0 1.430 2.298 783 747 A 49 THR HG2% A 49 THR HB 1.0 1.377 2.159 784 748 A 50 VAL HA A 50 VAL HB 1.0 1.712 3.252 785 749 A 50 VAL HA A 50 VAL HG1% 1.0 1.564 2.702 786 750 A 50 VAL HG2% A 50 VAL HA 1.0 1.541 2.627 787 751 A 51 TYR HB2 A 51 TYR HD1 1.0 1.759 3.463 788 752 A 51 TYR HB3 A 51 TYR HD1 1.0 1.779 3.561 789 753 A 53 MET HA A 53 MET HG2 1.0 1.711 3.249 790 754 A 53 MET HA A 53 MET HB3 1.0 1.456 2.374 791 755 A 54 GLU HA A 54 GLU HB3 1.0 1.663 3.051 792 756 A 54 GLU HA A 54 GLU HG3 1.0 1.674 3.098 793 757 A 56 LEU HB3 A 56 LEU HA 1.0 1.588 2.782 794 758 A 57 VAL HG1% A 57 VAL HA 1.0 1.758 3.460 795 759 A 59 ASP HA A 59 ASP HB2 1.0 1.609 2.851 796 760 A 61 LEU HA A 61 LEU HB3 1.0 1.617 2.881 797 761 A 61 LEU HB3 A 61 LEU HD1% 1.0 1.614 2.870 798 762 A 62 ILE HA A 62 ILE HB 1.0 1.737 3.363 799 763 A 62 ILE HA A 62 ILE HD1% 1.0 1.605 2.841 800 764 A 62 ILE HG13 A 62 ILE HD1% 1.0 1.554 2.668 801 765 A 62 ILE HG13 A 62 ILE HG2% 1.0 1.658 3.034 802 766 A 63 PHE HB3 A 63 PHE HD1 1.0 1.700 3.324 803 767 A 63 PHE HD1 A 63 PHE HB2 1.0 2.033 3.941 804 768 A 63 PHE HE1 A 63 PHE HZ 1.0 1.459 2.379 805 769 A 64 HIS HD2 A 64 HIS HB3 1.0 1.810 3.722 806 770 A 64 HIS HD2 A 64 HIS HB2 1.0 1.728 3.320 807 771 A 65 ASN HA A 65 ASN HB2 1.0 1.533 2.603 808 772 A 66 SER HA A 66 SER HB3 1.0 1.465 2.397 809 773 A 66 SER HA A 66 SER HB2 1.0 1.456 2.374 810 774 A 67 CYS HA A 67 CYS HB2 1.0 1.711 3.245 811 775 A 68 PHE HA A 68 PHE HB2 1.0 1.679 3.119 812 776 A 68 PHE HD1 A 68 PHE HB3 1.0 2.025 3.909 813 777 A 68 PHE HE1 A 68 PHE HZ 1.0 1.466 2.400 814 778 A 71 LYS HE3 A 71 LYS HD3 1.0 1.666 3.062 815 779 A 71 LYS HE3 A 71 LYS HD2 1.0 1.653 3.015 816 780 A 71 LYS HE3 A 71 LYS HG3 1.0 1.723 3.303 817 781 A 71 LYS HG2 A 71 LYS HE3 1.0 1.721 3.293 818 782 A 74 HIS HB3 A 74 HIS HD2 1.0 1.711 3.251 819 783 A 77 LEU HD1% A 77 LEU HA 1.0 1.792 3.630 820 784 A 78 SER HA A 78 SER HB3 1.0 1.584 2.768 821 785 A 78 SER HA A 78 SER HB2 1.0 1.447 2.347 822 786 A 79 LEU HA A 79 LEU HD1% 1.0 1.690 3.160 823 787 A 81 SER HA A 81 SER HB2 1.0 1.510 2.530 824 788 A 81 SER HA A 81 SER HB3 1.0 1.574 2.736 825 789 A 82 TYR HB3 A 82 TYR HD1 1.0 1.970 3.922 826 790 A 83 ALA HA A 83 ALA HB% 1.0 1.360 2.114 827 791 A 85 LEU HA A 85 LEU HD1% 1.0 1.414 2.254 828 792 A 85 LEU HD2% A 85 LEU HG 1.0 1.545 2.641 829 793 A 86 HIS HB3 A 86 HIS HD2 1.0 1.688 3.156 830 794 A 85 LEU HD1% A 86 HIS HE1 1.0 1.834 3.860 831 795 A 85 LEU HD2% A 86 HIS HE1 1.0 1.873 4.115 832 796 A 89 PHE HA A 89 PHE HB3 1.0 1.748 3.410 833 797 A 89 PHE HB2 A 89 PHE HA 1.0 1.709 3.237 834 798 A 89 PHE HB2 A 89 PHE HD1 1.0 1.923 3.803 835 799 A 90 TYR HB3 A 90 TYR HD1 1.0 1.881 3.857 836 800 A 92 LYS HA A 92 LYS HB3 1.0 1.699 3.119 837 801 A 92 LYS HG3 A 92 LYS HG2 1.0 1.497 2.493 838 802 A 93 PRO HA A 93 PRO HB2 1.0 1.631 2.933 839 803 A 95 PHE HB2 A 95 PHE HD1 1.0 2.026 3.916 840 804 A 95 PHE HB3 A 95 PHE HD1 1.0 1.816 3.478 841 805 A 97 GLN HA A 97 GLN HB3 1.0 1.685 3.271 842 806 A 97 GLN HA A 97 GLN HG2 1.0 1.653 3.015 843 807 A 98 LEU HD2% A 98 LEU HD1% 1.0 1.361 2.117 844 808 A 99 PHE HB3 A 99 PHE HA 1.0 1.626 2.916 845 809 A 99 PHE HD1 A 99 PHE HB3 1.0 1.970 3.920 846 810 A 99 PHE HZ A 99 PHE HE1 1.0 1.452 2.360 847 811 A 84 ALA HB% A 89 PHE HD2 1.0 1.549 2.655 848 811 A 84 ALA HB% A 89 PHE HD1 1.0 1.549 2.655 849 812 A 84 ALA HB% A 89 PHE HE1 1.0 1.691 3.289 850 812 A 84 ALA HB% A 89 PHE HE2 1.0 1.691 3.289 851 813 A 50 VAL HG2% A 64 HIS HE1 1.0 1.634 2.942 852 814 A 44 ALA HB% A 89 PHE HZ 1.0 1.676 3.102 853 815 A 63 PHE HE2 A 63 PHE HZ 1.0 1.461 2.385 854 815 A 63 PHE HE1 A 63 PHE HZ 1.0 1.461 2.385 855 816 A 99 PHE HD2 A 95 PHE HE2 1.0 1.371 2.199 856 816 A 99 PHE HD2 A 95 PHE HE1 1.0 1.371 2.199 857 816 A 99 PHE HD1 A 95 PHE HE2 1.0 1.371 2.199 858 816 A 99 PHE HD1 A 95 PHE HE1 1.0 1.371 2.199 859 817 A 90 TYR HE2 A 90 TYR HD2 1.0 1.363 2.121 860 817 A 90 TYR HE2 A 90 TYR HD1 1.0 1.363 2.121 861 817 A 90 TYR HE1 A 90 TYR HD2 1.0 1.363 2.121 862 817 A 90 TYR HE1 A 90 TYR HD1 1.0 1.363 2.121 863 818 A 89 PHE HD2 A 89 PHE HE1 1.0 1.509 2.525 864 818 A 89 PHE HD2 A 89 PHE HE2 1.0 1.509 2.525 865 818 A 89 PHE HD1 A 89 PHE HE2 1.0 1.509 2.525 866 818 A 89 PHE HD1 A 89 PHE HE1 1.0 1.509 2.525 867 819 A 82 TYR HD2 A 82 TYR HE1 1.0 1.407 2.485 868 819 A 82 TYR HD2 A 82 TYR HE2 1.0 1.407 2.485 869 819 A 82 TYR HD1 A 82 TYR HE2 1.0 1.407 2.485 870 819 A 82 TYR HD1 A 82 TYR HE1 1.0 1.407 2.485 871 820 A 95 PHE HD2 A 95 PHE HE2 1.0 1.371 2.141 872 820 A 95 PHE HD1 A 95 PHE HE2 1.0 1.371 2.141 873 820 A 95 PHE HD2 A 95 PHE HE1 1.0 1.371 2.141 874 820 A 95 PHE HD1 A 95 PHE HE1 1.0 1.371 2.141 875 821 A 99 PHE HD2 A 95 PHE HD2 1.0 1.596 2.808 876 821 A 99 PHE HD2 A 95 PHE HD1 1.0 1.596 2.808 877 821 A 99 PHE HD1 A 95 PHE HD2 1.0 1.596 2.808 878 821 A 99 PHE HD1 A 95 PHE HD1 1.0 1.596 2.808 879 822 A 63 PHE HZ A 89 PHE HE2 1.0 1.719 3.283 880 822 A 63 PHE HZ A 89 PHE HE1 1.0 1.719 3.283 881 823 A 63 PHE HZ A 89 PHE HD2 1.0 1.780 3.564 882 823 A 89 PHE HD1 A 63 PHE HZ 1.0 1.780 3.564 883 824 A 90 TYR HD2 A 95 PHE HD2 1.0 1.693 3.299 884 824 A 90 TYR HD1 A 95 PHE HD2 1.0 1.693 3.299 885 824 A 90 TYR HD2 A 95 PHE HD1 1.0 1.693 3.299 886 824 A 90 TYR HD1 A 95 PHE HD1 1.0 1.693 3.299 887 825 A 90 TYR HA A 90 TYR HD2 1.0 1.650 3.004 888 825 A 90 TYR HA A 90 TYR HD1 1.0 1.650 3.004 889 826 A 68 PHE HE2 A 82 TYR HD2 1.0 1.668 3.072 890 826 A 68 PHE HE2 A 82 TYR HD1 1.0 1.668 3.072 891 826 A 68 PHE HE1 A 82 TYR HD1 1.0 1.668 3.072 892 826 A 68 PHE HE1 A 82 TYR HD2 1.0 1.668 3.072 893 827 A 63 PHE HE2 A 68 PHE HE2 1.0 1.753 3.435 894 827 A 63 PHE HE2 A 68 PHE HE1 1.0 1.753 3.435 895 827 A 63 PHE HE1 A 68 PHE HE2 1.0 1.753 3.435 896 827 A 63 PHE HE1 A 68 PHE HE1 1.0 1.753 3.435 897 828 A 63 PHE HD2 A 68 PHE HD1 1.0 1.760 3.466 898 828 A 63 PHE HD2 A 68 PHE HD2 1.0 1.760 3.466 899 828 A 63 PHE HD1 A 68 PHE HD2 1.0 1.760 3.466 900 828 A 63 PHE HD1 A 68 PHE HD1 1.0 1.760 3.466 901 829 A 63 PHE HE2 A 68 PHE HD2 1.0 1.798 3.660 902 829 A 68 PHE HD1 A 63 PHE HE2 1.0 1.798 3.660 903 829 A 63 PHE HE1 A 68 PHE HD2 1.0 1.798 3.660 904 829 A 68 PHE HD1 A 63 PHE HE1 1.0 1.798 3.660 905 830 A 79 LEU HA A 82 TYR HE2 1.0 1.540 2.624 906 830 A 79 LEU HA A 82 TYR HE1 1.0 1.540 2.624 907 831 A 83 ALA HA A 82 TYR HD2 1.0 1.652 3.010 908 831 A 83 ALA HA A 82 TYR HD1 1.0 1.652 3.010 909 832 A 99 PHE HD2 A 99 PHE HA 1.0 1.520 2.560 910 832 A 99 PHE HD1 A 99 PHE HA 1.0 1.520 2.560 911 833 A 94 HIS HA A 94 HIS HD2 1.0 1.378 2.160 912 834 A 49 THR HB A 51 TYR HE2 1.0 1.739 3.371 913 834 A 49 THR HB A 51 TYR HE1 1.0 1.739 3.371 914 835 A 43 CYS HB3 A 64 HIS HE1 1.0 1.658 3.036 915 836 A 82 TYR HB3 A 82 TYR HD2 1.0 1.979 3.949 916 836 A 82 TYR HB3 A 82 TYR HD1 1.0 1.979 3.949 917 837 A 90 TYR HB2 A 90 TYR HD2 1.0 1.641 2.969 918 837 A 90 TYR HB2 A 90 TYR HD1 1.0 1.641 2.969 919 838 A 61 LEU HB3 A 63 PHE HE2 1.0 1.690 3.164 920 838 A 61 LEU HB3 A 63 PHE HE1 1.0 1.690 3.164 921 839 A 90 TYR HD2 A 88 GLU HB3 1.0 1.591 2.793 922 839 A 90 TYR HD1 A 88 GLU HB3 1.0 1.591 2.793 923 840 A 43 CYS HB2 A 64 HIS HE1 1.0 1.584 2.768 924 841 A 94 HIS HD2 A 97 GLN HB3 1.0 1.774 3.398 925 842 A 71 LYS HB3 A 90 TYR HE2 1.0 1.748 3.410 926 842 A 71 LYS HB3 A 90 TYR HE1 1.0 1.748 3.410 927 843 A 45 ALA HB% A 63 PHE HD1 1.0 1.590 2.786 928 843 A 45 ALA HB% A 63 PHE HD2 1.0 1.590 2.786 929 844 A 45 ALA HB% A 63 PHE HE2 1.0 1.618 2.884 930 844 A 45 ALA HB% A 63 PHE HE1 1.0 1.618 2.884 931 845 A 45 ALA HB% A 89 PHE HD2 1.0 1.756 3.450 932 845 A 45 ALA HB% A 89 PHE HD1 1.0 1.756 3.450 933 846 A 99 PHE HD2 A 85 LEU HB3 1.0 1.703 3.215 934 846 A 99 PHE HD1 A 85 LEU HB3 1.0 1.703 3.215 935 847 A 85 LEU HB3 A 95 PHE HE2 1.0 1.746 3.402 936 847 A 85 LEU HB3 A 95 PHE HE1 1.0 1.746 3.402 937 848 A 85 LEU HB2 A 95 PHE HE2 1.0 1.693 3.171 938 848 A 85 LEU HB2 A 95 PHE HE1 1.0 1.693 3.171 939 849 A 85 LEU HB2 A 99 PHE HD2 1.0 1.950 3.822 940 849 A 85 LEU HB2 A 99 PHE HD1 1.0 1.950 3.822 941 850 A 71 LYS HB2 A 90 TYR HE2 1.0 1.723 3.299 942 850 A 71 LYS HB2 A 90 TYR HE1 1.0 1.723 3.299 943 851 A 63 PHE HE1 A 61 LEU HD1% 1.0 1.653 3.015 944 851 A 63 PHE HE2 A 61 LEU HD1% 1.0 1.653 3.015 945 852 A 84 ALA HB% A 82 TYR HE2 1.0 1.634 3.346 946 852 A 84 ALA HB% A 82 TYR HE1 1.0 1.634 3.346 947 853 A 79 LEU HD1% A 82 TYR HE1 1.0 1.736 3.358 948 853 A 79 LEU HD1% A 82 TYR HE2 1.0 1.736 3.358 949 854 A 61 LEU HD1% A 89 PHE HE2 1.0 1.599 2.819 950 854 A 61 LEU HD1% A 89 PHE HE1 1.0 1.599 2.819 951 855 A 79 LEU HD2% A 82 TYR HE2 1.0 1.533 2.603 952 855 A 79 LEU HD2% A 82 TYR HE1 1.0 1.533 2.603 953 856 A 85 LEU HG A 86 HIS HD2 1.0 1.703 3.217 954 857 A 44 ALA HB% A 63 PHE HE2 1.0 1.614 2.874 955 857 A 44 ALA HB% A 63 PHE HE1 1.0 1.614 2.874 956 858 A 61 LEU HB2 A 63 PHE HD2 1.0 1.728 3.322 957 858 A 61 LEU HB2 A 63 PHE HD1 1.0 1.728 3.322 958 859 A 63 PHE HD1 A 44 ALA HB% 1.0 1.712 3.252 959 859 A 63 PHE HD2 A 44 ALA HB% 1.0 1.712 3.252 960 860 A 49 THR HG2% A 51 TYR HE2 1.0 1.696 3.182 961 860 A 49 THR HG2% A 51 TYR HE1 1.0 1.696 3.182 962 861 A 49 THR HG2% A 51 TYR HD1 1.0 1.758 3.458 963 861 A 49 THR HG2% A 51 TYR HD2 1.0 1.758 3.458 964 862 A 85 LEU HD1% A 95 PHE HE1 1.0 1.747 3.393 965 862 A 85 LEU HD1% A 95 PHE HE2 1.0 1.747 3.393 966 863 A 85 LEU HD1% A 86 HIS HD2 1.0 1.781 3.625 967 864 A 63 PHE HE1 A 58 ALA HB% 1.0 1.615 2.875 968 864 A 63 PHE HE2 A 58 ALA HB% 1.0 1.615 2.875 969 865 A 83 ALA HB% A 95 PHE HD1 1.0 1.578 2.748 970 865 A 83 ALA HB% A 95 PHE HD2 1.0 1.578 2.748 971 866 A 58 ALA HB% A 82 TYR HE1 1.0 1.698 3.192 972 866 A 58 ALA HB% A 82 TYR HE2 1.0 1.698 3.192 973 867 A 83 ALA HB% A 95 PHE HE2 1.0 1.744 3.392 974 867 A 83 ALA HB% A 95 PHE HE1 1.0 1.744 3.392 975 868 A 58 ALA HB% A 89 PHE HE1 1.0 1.779 3.561 976 868 A 58 ALA HB% A 89 PHE HE2 1.0 1.779 3.561 977 869 A 90 TYR HE2 A 98 LEU HB2 1.0 1.719 3.283 978 869 A 90 TYR HE1 A 98 LEU HB2 1.0 1.719 3.283 979 870 A 56 LEU HD2% A 63 PHE HD2 1.0 1.645 2.985 980 870 A 56 LEU HD2% A 63 PHE HD1 1.0 1.645 2.985 981 871 A 90 TYR HE2 A 98 LEU HD1% 1.0 1.575 2.737 982 871 A 90 TYR HE1 A 98 LEU HD1% 1.0 1.575 2.737 983 872 A 99 PHE HD2 A 85 LEU HD2% 1.0 1.723 3.299 984 872 A 99 PHE HD1 A 85 LEU HD2% 1.0 1.723 3.299 985 873 A 85 LEU HD2% A 95 PHE HE1 1.0 1.700 3.202 986 873 A 85 LEU HD2% A 95 PHE HE2 1.0 1.700 3.202 987 874 A 85 LEU HD2% A 86 HIS HD2 1.0 1.720 3.288 988 875 A 72 HIS HD2 A 94 HIS HE1 1.0 1.646 2.986 989 876 A 73 CYS HA A 94 HIS HE1 1.0 2.084 3.888 990 877 A 54 GLU HB3 A 64 HIS HD2 1.0 1.612 2.864 991 878 A 54 GLU HB2 A 64 HIS HD2 1.0 1.694 3.176 992 879 A 50 VAL HG1% A 64 HIS HD2 1.0 1.608 2.850 993 880 A 98 LEU HD2% A 72 HIS HE1 1.0 1.604 2.838 994 881 A 98 LEU HD1% A 72 HIS HE1 1.0 1.742 3.384 995 882 A 61 LEU HD1% A 63 PHE HZ 1.0 1.678 3.112 996 883 A 82 TYR HE2 A 68 PHE HZ 1.0 1.754 3.438 997 883 A 82 TYR HE1 A 68 PHE HZ 1.0 1.754 3.438 998 884 A 68 PHE HE2 A 68 PHE HZ 1.0 1.472 2.416 999 884 A 68 PHE HE1 A 68 PHE HZ 1.0 1.472 2.416 1000 885 A 91 CYS HA A 82 TYR HA 1.0 1.760 3.540 1001 886 A 68 PHE HB2 A 68 PHE HD2 1.0 2.037 3.953 1002 886 A 68 PHE HB2 A 68 PHE HD1 1.0 2.037 3.953 1003 887 A 79 LEU HD2% A 68 PHE HZ 1.0 1.754 3.444 1004 888 A 79 LEU HD2% A 68 PHE HE2 1.0 1.740 3.378 1005 888 A 79 LEU HD2% A 68 PHE HE1 1.0 1.740 3.378 1006 889 A 77 LEU HD2% A 82 TYR HA 1.0 1.697 3.187 1007 890 A 56 LEU HD1% A 68 PHE HE2 1.0 1.562 2.696 1008 890 A 56 LEU HD1% A 68 PHE HE1 1.0 1.562 2.696 1009 891 A 58 ALA HB% A 68 PHE HE1 1.0 1.591 2.791 1010 891 A 58 ALA HB% A 68 PHE HE2 1.0 1.591 2.791 1011 892 A 58 ALA HB% A 68 PHE HZ 1.0 1.623 2.903 1012 893 A 56 LEU HD2% A 68 PHE HE2 1.0 1.609 2.851 1013 893 A 56 LEU HD2% A 68 PHE HE1 1.0 1.609 2.851 1014 894 A 77 LEU HD1% A 82 TYR HA 1.0 1.700 3.202 1015 895 A 50 VAL HG2% A 63 PHE HA 1.0 1.772 3.528 1016 896 A 45 ALA HA A 89 PHE HE2 1.0 1.798 3.660 1017 896 A 45 ALA HA A 89 PHE HE1 1.0 1.798 3.660 1018 897 A 89 PHE HA A 89 PHE HD2 1.0 1.959 3.741 1019 897 A 89 PHE HA A 89 PHE HD1 1.0 1.959 3.741 1020 898 A 68 PHE HE2 A 78 SER HA 1.0 1.691 3.165 1021 898 A 68 PHE HE1 A 78 SER HA 1.0 1.691 3.165 1022 899 A 68 PHE HD2 A 78 SER HA 1.0 1.760 3.472 1023 899 A 68 PHE HD1 A 78 SER HA 1.0 1.760 3.472 1024 900 A 84 ALA HA A 89 PHE HA 1.0 1.560 2.688 1025 901 A 62 ILE HA A 57 VAL HA 1.0 1.650 3.002 1026 902 A 57 VAL HB A 57 VAL HA 1.0 1.762 3.480 1027 903 A 84 ALA HB% A 89 PHE HA 1.0 1.705 3.223 1028 904 A 69 CYS HA A 77 LEU HG 1.0 1.599 2.819 1029 905 A 57 VAL HG2% A 57 VAL HA 1.0 1.541 2.627 1030 906 A 62 ILE HD1% A 57 VAL HA 1.0 1.732 3.338 1031 907 A 77 LEU HD2% A 91 CYS HA 1.0 1.509 2.525 1032 908 A 69 CYS HA A 77 LEU HD1% 1.0 1.721 3.291 1033 909 A 79 LEU HA A 82 TYR HD2 1.0 1.659 3.185 1034 909 A 79 LEU HA A 82 TYR HD1 1.0 1.659 3.185 1035 910 A 43 CYS HA A 63 PHE HA 1.0 1.613 2.867 1036 911 A 70 CYS HA A 90 TYR HA 1.0 1.552 2.662 1037 912 A 42 THR HA A 49 THR HA 1.0 1.376 2.156 1038 913 A 66 SER HB2 A 66 SER HB3 1.0 1.416 2.260 1039 914 A 47 GLN HA A 47 GLN HB3 1.0 1.657 3.027 1040 915 A 52 PRO HA A 52 PRO HB3 1.0 1.602 2.832 1041 916 A 69 CYS HB2 A 74 HIS HA 1.0 1.637 2.957 1042 917 A 54 GLU HA A 54 GLU HG2 1.0 1.726 3.314 1043 918 A 88 GLU HA A 88 GLU HB3 1.0 1.689 3.159 1044 919 A 92 LYS HA A 92 LYS HB2 1.0 1.568 2.716 1045 919 A 92 LYS HA A 92 LYS HB3 1.0 1.568 2.716 1046 920 A 71 LYS HA A 71 LYS HD3 1.0 1.731 3.333 1047 921 A 92 LYS HA A 92 LYS HG2 1.0 1.676 3.104 1048 922 A 42 THR HA A 49 THR HG2% 1.0 1.634 2.944 1049 923 A 92 LYS HA A 83 ALA HB% 1.0 1.716 3.270 1050 924 A 56 LEU HD2% A 65 ASN HA 1.0 1.644 2.980 1051 925 A 42 THR HA A 50 VAL HG2% 1.0 1.634 2.946 1052 926 A 73 CYS HB3 A 94 HIS HE1 1.0 1.663 3.053 1053 927 A 50 VAL HA A 64 HIS HD2 1.0 1.771 3.383 1054 928 A 90 TYR HB3 A 90 TYR HD2 1.0 1.985 3.973 1055 928 A 90 TYR HB3 A 90 TYR HD1 1.0 1.985 3.973 1056 929 A 95 PHE HA A 95 PHE HD2 1.0 1.583 2.763 1057 929 A 95 PHE HA A 95 PHE HD1 1.0 1.583 2.763 1058 930 A 99 PHE HD2 A 95 PHE HA 1.0 1.733 3.439 1059 930 A 99 PHE HD1 A 95 PHE HA 1.0 1.733 3.439 1060 931 A 74 HIS HA A 74 HIS HB2 1.0 1.585 2.771 1061 931 A 74 HIS HA A 74 HIS HB3 1.0 1.585 2.771 1062 932 A 49 THR HA A 49 THR HB 1.0 1.602 2.830 1063 933 A 64 HIS HB3 A 64 HIS HB2 1.0 1.675 3.101 1064 934 A 97 GLN HA A 97 GLN HG3 1.0 1.662 3.050 1065 935 A 96 GLN HA A 96 GLN HBy 1.0 1.646 2.988 1066 936 A 92 LYS HB2 A 93 PRO HDx 1.0 1.637 2.955 1067 936 A 92 LYS HB3 A 93 PRO HDx 1.0 1.637 2.955 1068 937 A 60 LYS HA A 60 LYS HB2 1.0 1.620 2.894 1069 938 A 60 LYS HA A 60 LYS HB3 1.0 1.518 2.556 1070 939 A 45 ALA HB% A 67 CYS HB3 1.0 1.615 3.273 1071 940 A 60 LYS HA A 60 LYS HG3 1.0 1.726 3.316 1072 941 A 60 LYS HA A 60 LYS HG2 1.0 1.652 3.012 1073 942 A 70 CYS HB3 A 75 THR HG2% 1.0 1.701 3.203 1074 943 A 42 THR HB A 42 THR HG2% 1.0 1.406 2.236 1075 944 A 50 VAL HG1% A 55 ARG HA 1.0 1.505 2.517 1076 945 A 89 PHE HB3 A 89 PHE HD2 1.0 1.652 3.012 1077 945 A 89 PHE HD1 A 89 PHE HB3 1.0 1.652 3.012 1078 946 A 82 TYR HB2 A 82 TYR HD2 1.0 1.633 2.939 1079 946 A 82 TYR HB2 A 82 TYR HD1 1.0 1.633 2.939 1080 947 A 94 HIS HB2 A 90 TYR HD2 1.0 1.596 2.808 1081 947 A 94 HIS HB2 A 90 TYR HD1 1.0 1.596 2.808 1082 948 A 94 HIS HB2 A 94 HIS HD2 1.0 1.713 3.255 1083 949 A 86 HIS HB2 A 86 HIS HD2 1.0 1.760 3.466 1084 949 A 86 HIS HB3 A 86 HIS HD2 1.0 1.760 3.466 1085 950 A 95 PHE HB3 A 95 PHE HD2 1.0 1.801 3.425 1086 950 A 95 PHE HB3 A 95 PHE HD1 1.0 1.801 3.425 1087 951 A 95 PHE HB2 A 95 PHE HD2 1.0 2.037 3.957 1088 951 A 95 PHE HB2 A 95 PHE HD1 1.0 2.037 3.957 1089 952 A 99 PHE HD2 A 99 PHE HB3 1.0 2.022 3.900 1090 952 A 99 PHE HD1 A 99 PHE HB3 1.0 2.022 3.900 1091 953 A 90 TYR HE2 A 94 HIS HB2 1.0 1.654 3.016 1092 953 A 90 TYR HE1 A 94 HIS HB2 1.0 1.654 3.016 1093 954 A 63 PHE HB3 A 63 PHE HD2 1.0 1.599 2.817 1094 954 A 63 PHE HB3 A 63 PHE HD1 1.0 1.599 2.817 1095 955 A 68 PHE HB3 A 68 PHE HD2 1.0 2.021 3.897 1096 955 A 68 PHE HD1 A 68 PHE HB3 1.0 2.021 3.897 1097 956 A 73 CYS HB2 A 72 HIS HD2 1.0 1.797 3.657 1098 957 A 72 HIS HB2 A 72 HIS HD2 1.0 1.681 3.123 1099 957 A 72 HIS HB3 A 72 HIS HD2 1.0 1.681 3.123 1100 958 A 86 HIS HA A 86 HIS HB2 1.0 1.581 2.757 1101 958 A 86 HIS HA A 86 HIS HB3 1.0 1.581 2.757 1102 959 A 72 HIS HA A 72 HIS HB2 1.0 1.601 2.827 1103 959 A 72 HIS HA A 72 HIS HB3 1.0 1.601 2.827 1104 960 A 94 HIS HA A 94 HIS HB2 1.0 1.538 2.618 1105 961 A 70 CYS HA A 70 CYS HB2 1.0 1.642 2.976 1106 962 A 59 ASP HA A 59 ASP HB3 1.0 1.671 3.025 1107 963 A 68 PHE HA A 68 PHE HB3 1.0 1.711 3.249 1108 964 A 92 LYS HA A 95 PHE HB3 1.0 1.701 3.205 1109 965 A 90 TYR HB3 A 90 TYR HB2 1.0 1.613 2.865 1110 966 A 92 LYS HA A 95 PHE HB2 1.0 1.772 3.528 1111 967 A 91 CYS HB2 A 91 CYS HB3 1.0 1.625 2.913 1112 968 A 95 PHE HB2 A 95 PHE HB3 1.0 1.589 2.783 1113 969 A 68 PHE HB2 A 68 PHE HB3 1.0 1.589 2.783 1114 970 A 71 LYS HG2 A 71 LYS HE2 1.0 1.726 3.314 1115 970 A 71 LYS HG2 A 71 LYS HE3 1.0 1.726 3.314 1116 971 A 71 LYS HG3 A 71 LYS HE2 1.0 1.716 3.272 1117 971 A 71 LYS HE3 A 71 LYS HG3 1.0 1.716 3.272 1118 972 A 71 LYS HD3 A 71 LYS HE2 1.0 1.693 3.171 1119 972 A 71 LYS HE3 A 71 LYS HD3 1.0 1.693 3.171 1120 973 A 71 LYS HD2 A 71 LYS HE2 1.0 1.662 3.050 1121 973 A 71 LYS HE3 A 71 LYS HD2 1.0 1.662 3.050 1122 974 A 95 PHE HB2 A 83 ALA HB% 1.0 1.697 3.191 1123 975 A 95 PHE HB3 A 83 ALA HB% 1.0 1.744 3.394 1124 976 A 77 LEU HD1% A 82 TYR HB3 1.0 1.743 3.387 1125 977 A 77 LEU HD1% A 89 PHE HB3 1.0 1.753 3.433 1126 978 A 89 PHE HB2 A 89 PHE HD2 1.0 1.646 3.586 1127 978 A 89 PHE HB2 A 89 PHE HD1 1.0 1.646 3.586 1128 979 A 99 PHE HD2 A 99 PHE HB2 1.0 1.880 3.856 1129 979 A 99 PHE HD1 A 99 PHE HB2 1.0 1.880 3.856 1130 980 A 90 TYR HE2 A 88 GLU HB3 1.0 1.703 3.215 1131 980 A 90 TYR HE1 A 88 GLU HB3 1.0 1.703 3.215 1132 981 A 63 PHE HD2 A 63 PHE HB2 1.0 1.941 3.871 1133 981 A 63 PHE HD1 A 63 PHE HB2 1.0 1.941 3.871 1134 982 A 63 PHE HA A 63 PHE HB2 1.0 1.718 3.278 1135 983 A 53 MET HA A 53 MET HB2 1.0 1.503 2.509 1136 983 A 53 MET HA A 53 MET HB3 1.0 1.503 2.509 1137 984 A 99 PHE HB3 A 99 PHE HB2 1.0 1.492 2.478 1138 985 A 53 MET HG3 A 53 MET HB2 1.0 1.603 2.835 1139 985 A 53 MET HG3 A 53 MET HB3 1.0 1.603 2.835 1140 986 A 53 MET HG2 A 53 MET HB2 1.0 1.634 2.944 1141 986 A 53 MET HG2 A 53 MET HB3 1.0 1.634 2.944 1142 987 A 90 TYR HE2 A 88 GLU HB2 1.0 1.680 3.120 1143 987 A 90 TYR HE1 A 88 GLU HB2 1.0 1.680 3.120 1144 988 A 85 LEU HA A 85 LEU HB3 1.0 1.664 3.054 1145 989 A 45 ALA HB% A 63 PHE HB3 1.0 1.728 3.322 1146 990 A 45 ALA HB% A 68 PHE HB2 1.0 1.497 2.489 1147 991 A 88 GLU HB2 A 88 GLU HB3 1.0 1.523 2.569 1148 992 A 79 LEU HB3 A 79 LEU HB2 1.0 1.217 1.777 1149 993 A 62 ILE HG13 A 62 ILE HB 1.0 1.542 2.628 1150 994 A 85 LEU HB2 A 85 LEU HB3 1.0 1.381 2.169 1151 995 A 56 LEU HB3 A 56 LEU HB2 1.0 1.454 2.368 1152 996 A 79 LEU HB2 A 79 LEU HD1% 1.0 1.558 2.680 1153 997 A 79 LEU HD2% A 79 LEU HB2 1.0 1.753 3.317 1154 998 A 85 LEU HB3 A 85 LEU HG 1.0 1.618 2.886 1155 999 A 85 LEU HB2 A 85 LEU HD2% 1.0 1.647 2.991 1156 1000 A 85 LEU HD2% A 85 LEU HB3 1.0 1.603 2.833 1157 1001 A 61 LEU HD1% A 89 PHE HZ 1.0 1.688 3.156 1158 1002 A 79 LEU HD2% A 82 TYR HD1 1.0 1.738 3.368 1159 1002 A 79 LEU HD2% A 82 TYR HD2 1.0 1.738 3.368 1160 1003 A 69 CYS HA A 77 LEU HD2% 1.0 1.764 3.492 1161 1004 A 57 VAL HG2% A 62 ILE HA 1.0 1.800 3.672 1162 1005 A 75 THR HB A 75 THR HG2% 1.0 1.406 2.236 1163 1006 A 42 THR HG2% A 49 THR HA 1.0 1.568 2.714 1164 1007 A 98 LEU HA A 98 LEU HB3 1.0 1.652 3.010 1165 1008 A 77 LEU HD2% A 70 CYS HB2 1.0 1.670 3.080 1166 1009 A 91 CYS HB2 A 75 THR HG2% 1.0 1.743 3.387 1167 1010 A 70 CYS HB2 A 75 THR HG2% 1.0 1.671 3.081 1168 1011 A 92 LYS HB2 A 92 LYS HG2 1.0 1.711 3.245 1169 1011 A 92 LYS HB3 A 92 LYS HG2 1.0 1.711 3.245 1170 1012 A 61 LEU HG A 61 LEU HD1% 1.0 1.529 2.589 1171 1013 A 79 LEU HD1% A 79 LEU HG 1.0 1.427 2.289 1172 1014 A 85 LEU HD1% A 85 LEU HB3 1.0 1.617 2.883 1173 1015 A 56 LEU HB3 A 56 LEU HD1% 1.0 1.609 2.857 1174 1016 A 55 ARG HG2 A 55 ARG HB2 1.0 1.650 3.006 1175 1017 A 62 ILE HB A 62 ILE HG12 1.0 1.729 3.325 1176 1018 A 62 ILE HG2% A 62 ILE HG12 1.0 1.683 3.133 1177 1019 A 56 LEU HG A 56 LEU HD1% 1.0 1.479 2.439 1178 1020 A 62 ILE HG13 A 62 ILE HG12 1.0 1.497 2.493 1179 1021 A 85 LEU HB2 A 85 LEU HG 1.0 1.711 3.249 1180 1022 A 62 ILE HD1% A 62 ILE HG12 1.0 1.624 2.908 1181 1023 A 56 LEU HD1% A 79 LEU HD1% 1.0 1.721 3.293 1182 1024 A 85 LEU HD1% A 85 LEU HG 1.0 1.501 2.501 1183 1025 A 79 LEU HD2% A 56 LEU HD1% 1.0 1.650 3.006 1184 1026 A 57 VAL HG1% A 62 ILE HD1% 1.0 1.621 3.265 1185 1027 A 61 LEU HD2% A 61 LEU HD1% 1.0 1.364 2.124 1186 1028 A 79 LEU HD2% A 79 LEU HD1% 1.0 1.362 2.120 1187 1029 A 42 THR HG2% A 49 THR HG2% 1.0 1.600 2.824 1188 1030 A 62 ILE HG2% A 62 ILE HD1% 1.0 1.431 2.303 1189 1031 A 57 VAL HG2% A 62 ILE HD1% 1.0 1.459 2.379 1190 1032 A 85 LEU HD1% A 85 LEU HD2% 1.0 1.423 2.281 1191 1033 A 77 LEU HD2% A 77 LEU HB2 1.0 1.782 3.574 1192 1034 A 98 LEU HD1% A 90 TYR HD2 1.0 2.036 3.854 1193 1034 A 98 LEU HD1% A 90 TYR HD1 1.0 2.036 3.854 1194 1035 A 58 ALA HA A 58 ALA HB% 1.0 1.399 2.217 1195 1036 A 98 LEU HG A 98 LEU HD1% 1.0 1.554 2.668 1196 1037 A 56 LEU HD2% A 79 LEU HD2% 1.0 1.670 3.078 1197 1038 A 98 LEU HB3 A 98 LEU HD1% 1.0 1.644 2.980 1198 1039 A 98 LEU HB2 A 98 LEU HB3 1.0 1.533 2.603 1199 1040 A 79 LEU HD2% A 58 ALA HB% 1.0 1.571 2.725 1200 1041 A 56 LEU HD2% A 56 LEU HD1% 1.0 1.446 2.344 1201 1042 A 56 LEU HD2% A 58 ALA HB% 1.0 1.563 2.699 1202 1043 A 77 LEU HD1% A 68 PHE HD2 1.0 1.709 3.243 1203 1043 A 68 PHE HD1 A 77 LEU HD1% 1.0 1.709 3.243 1204 1044 A 77 LEU HD1% A 68 PHE HE2 1.0 1.770 3.516 1205 1044 A 77 LEU HD1% A 68 PHE HE1 1.0 1.770 3.516 1206 1045 A 77 LEU HD1% A 82 TYR HB2 1.0 1.774 3.534 1207 1046 A 77 LEU HD1% A 77 LEU HB2 1.0 1.713 3.257 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 A 47 GLN HA A 47 GLN HG2 1.0 1.688 3.152 2 1 A 43 CYS HB2 A 47 GLN HA 1.0 1.688 3.152 3 2 A 57 VAL HG2% A 60 LYS H 1.0 1.591 2.789 4 2 A 57 VAL HG2% A 61 LEU H 1.0 1.591 2.789 5 3 A 57 VAL HG2% A 58 ALA HA 1.0 1.694 3.176 6 3 A 57 VAL HG2% A 61 LEU HA 1.0 1.694 3.176 7 3 A 56 LEU HA A 57 VAL HG1% 1.0 1.694 3.176 8 4 A 60 LYS HB2 A 61 LEU H 1.0 1.833 3.857 9 4 A 60 LYS H A 60 LYS HB2 1.0 1.833 3.857 10 5 A 68 PHE HB3 A 89 PHE HE2 1.0 1.860 3.766 11 5 A 68 PHE HB3 A 89 PHE HE1 1.0 1.860 3.766 12 5 A 69 CYS H A 68 PHE HB3 1.0 1.860 3.766 13 6 A 73 CYS H A 72 HIS HB2 1.0 1.679 3.115 14 6 A 72 HIS HB3 A 73 CYS H 1.0 1.679 3.115 15 6 A 70 CYS HB2 A 75 THR H 1.0 1.679 3.115 16 7 A 76 LYS H A 76 LYS HBx 1.0 1.693 3.171 17 7 A 76 LYS HBy A 76 LYS H 1.0 1.693 3.171 18 8 A 78 SER H A 78 SER HB2 1.0 1.823 3.793 19 8 A 78 SER H A 78 SER HB3 1.0 1.823 3.793 20 9 A 84 ALA HA A 89 PHE HD1 1.0 1.718 3.280 21 9 A 84 ALA HA A 89 PHE HD2 1.0 1.718 3.280 22 9 A 84 ALA HA A 82 TYR HD2 1.0 1.718 3.280 23 9 A 84 ALA HA A 82 TYR HD1 1.0 1.718 3.280 24 10 A 71 LYS H A 90 TYR HA 1.0 1.530 2.594 25 10 A 91 CYS H A 90 TYR HA 1.0 1.530 2.594 26 11 A 61 LEU H A 59 ASP HB3 1.0 1.674 3.096 27 11 A 60 LYS H A 59 ASP HB3 1.0 1.674 3.096 28 12 A 97 GLN H A 97 GLN HG3 1.0 1.796 3.650 29 12 A 96 GLN HGx A 97 GLN H 1.0 1.796 3.650 30 13 A 94 HIS HB2 A 98 LEU HD1% 1.0 1.666 3.064 31 13 A 72 HIS HB2 A 98 LEU HD1% 1.0 1.666 3.064 32 13 A 72 HIS HB3 A 98 LEU HD1% 1.0 1.666 3.064 33 14 A 95 PHE HA A 98 LEU HD1% 1.0 1.763 3.483 34 14 A 98 LEU HA A 98 LEU HD1% 1.0 1.763 3.483 35 15 A 99 PHE HD2 A 98 LEU HD2% 1.0 1.796 3.650 36 15 A 99 PHE HD1 A 98 LEU HD2% 1.0 1.796 3.650 37 15 A 90 TYR HE1 A 98 LEU HD2% 1.0 1.796 3.650 38 15 A 90 TYR HE2 A 98 LEU HD2% 1.0 1.796 3.650 39 16 A 44 ALA H A 50 VAL HG1% 1.0 1.998 5.760 40 16 A 44 ALA H A 58 ALA HB% 1.0 1.998 5.760 41 17 A 46 CYS H A 64 HIS HE1 1.0 1.998 5.774 42 17 A 46 CYS H A 89 PHE HD2 1.0 1.998 5.774 43 17 A 46 CYS H A 89 PHE HD1 1.0 1.998 5.774 44 18 A 61 LEU H A 58 ALA H 1.0 1.837 3.881 45 18 A 60 LYS H A 58 ALA H 1.0 1.837 3.881 46 19 A 60 LYS H A 61 LEU HA 1.0 1.960 4.910 47 19 A 58 ALA HA A 60 LYS H 1.0 1.960 4.910 48 20 A 62 ILE H A 61 LEU HB2 1.0 1.722 3.296 49 20 A 62 ILE H A 61 LEU HD2% 1.0 1.722 3.296 50 21 A 63 PHE H A 62 ILE HG13 1.0 1.899 4.301 51 21 A 63 PHE H A 56 LEU HB2 1.0 1.899 4.301 52 22 A 63 PHE HB2 A 64 HIS H 1.0 1.875 4.121 53 22 A 43 CYS HB2 A 64 HIS H 1.0 1.875 4.121 54 23 A 56 LEU HB2 A 64 HIS H 1.0 1.992 6.530 55 23 A 50 VAL HB A 64 HIS H 1.0 1.992 6.530 56 24 A 65 ASN H A 54 GLU HB3 1.0 1.916 4.440 57 24 A 65 ASN H A 54 GLU HG3 1.0 1.916 4.440 58 25 A 67 CYS H A 78 SER HB3 1.0 1.972 5.084 59 25 A 67 CYS H A 66 SER HB2 1.0 1.972 5.084 60 26 A 70 CYS H A 68 PHE H 1.0 1.994 6.424 61 26 A 64 HIS H A 68 PHE H 1.0 1.994 6.424 62 27 A 56 LEU HD1% A 68 PHE H 1.0 1.998 5.782 63 27 A 77 LEU HD2% A 68 PHE H 1.0 1.998 5.782 64 28 A 72 HIS H A 94 HIS HB3 1.0 1.995 5.597 65 28 A 72 HIS H A 90 TYR HB3 1.0 1.995 5.597 66 29 A 71 LYS H A 75 THR H 1.0 1.992 5.482 67 29 A 75 THR H A 91 CYS H 1.0 1.992 5.482 68 30 A 75 THR H A 75 THR HB 1.0 1.442 2.334 69 30 A 74 HIS HA A 75 THR H 1.0 1.442 2.334 70 31 A 77 LEU H A 68 PHE HE1 1.0 2.389 5.827 71 31 A 77 LEU H A 68 PHE HE2 1.0 2.389 5.827 72 31 A 77 LEU H A 68 PHE HD2 1.0 2.389 5.827 73 31 A 68 PHE HD1 A 77 LEU H 1.0 2.389 5.827 74 32 A 77 LEU HA A 81 SER H 1.0 1.919 4.473 75 32 A 79 LEU HA A 81 SER H 1.0 1.919 4.473 76 33 A 79 LEU HB3 A 81 SER H 1.0 1.999 6.207 77 33 A 76 LYS HBx A 81 SER H 1.0 1.999 6.207 78 34 A 99 PHE HD1 A 88 GLU H 1.0 1.999 5.877 79 34 A 99 PHE HD2 A 88 GLU H 1.0 1.999 5.877 80 34 A 90 TYR HE2 A 88 GLU H 1.0 1.999 5.877 81 34 A 90 TYR HE1 A 88 GLU H 1.0 1.999 5.877 82 35 A 86 HIS HA A 88 GLU H 1.0 1.955 4.839 83 35 A 85 LEU HA A 88 GLU H 1.0 1.955 4.839 84 36 A 89 PHE H A 71 LYS HD3 1.0 1.792 3.628 85 36 A 88 GLU HB2 A 89 PHE H 1.0 1.792 3.628 86 37 A 93 PRO HGx A 94 HIS H 1.0 1.974 5.114 87 37 A 92 LYS HB2 A 94 HIS H 1.0 1.974 5.114 88 37 A 92 LYS HB3 A 94 HIS H 1.0 1.974 5.114 89 38 A 95 PHE H A 96 GLN HBy 1.0 1.979 5.205 90 38 A 95 PHE H A 93 PRO HB3 1.0 1.979 5.205 91 39 A 96 GLN HB2 A 95 PHE H 1.0 1.964 4.970 92 39 A 95 PHE H A 97 GLN HB3 1.0 1.964 4.970 93 40 A 96 GLN H A 83 ALA HB% 1.0 1.995 5.585 94 40 A 96 GLN H A 98 LEU HB2 1.0 1.995 5.585 95 41 A 98 LEU HA A 99 PHE H 1.0 1.831 3.847 96 41 A 96 GLN HA A 99 PHE H 1.0 1.831 3.847 97 42 A 100 LYS H A 99 PHE HB2 1.0 1.957 4.875 98 42 A 96 GLN HB2 A 100 LYS H 1.0 1.957 4.875 99 43 A 67 CYS H A 79 LEU HG 1.0 2.192 6.702 100 43 A 67 CYS H A 79 LEU HB3 1.0 2.192 6.702 101 44 A 63 PHE HB2 A 67 CYS H 1.0 1.978 6.856 102 44 A 43 CYS HB2 A 67 CYS H 1.0 1.978 6.856 103 45 A 61 LEU HD1% A 89 PHE HZ 1.0 1.658 3.034 104 45 A 61 LEU HD1% A 89 PHE HE2 1.0 1.658 3.034 105 45 A 61 LEU HD1% A 89 PHE HE1 1.0 1.658 3.034 106 46 A 77 LEU HD1% A 82 TYR HD1 1.0 1.867 3.467 107 46 A 77 LEU HD1% A 89 PHE HD1 1.0 1.867 3.467 108 46 A 77 LEU HD1% A 89 PHE HD2 1.0 1.867 3.467 109 46 A 77 LEU HD1% A 82 TYR HD2 1.0 1.867 3.467 110 47 A 63 PHE HD1 A 63 PHE HE1 1.0 1.342 2.068 111 47 A 99 PHE HZ A 99 PHE HE1 1.0 1.342 2.068 112 47 A 99 PHE HZ A 99 PHE HE2 1.0 1.342 2.068 113 47 A 63 PHE HD2 A 63 PHE HE1 1.0 1.342 2.068 114 47 A 63 PHE HD2 A 63 PHE HE2 1.0 1.342 2.068 115 47 A 63 PHE HD1 A 63 PHE HE2 1.0 1.342 2.068 116 48 A 90 TYR HD2 A 99 PHE HE2 1.0 1.752 3.428 117 48 A 90 TYR HD2 A 99 PHE HE1 1.0 1.752 3.428 118 48 A 99 PHE HD1 A 90 TYR HD2 1.0 1.752 3.428 119 48 A 90 TYR HD1 A 99 PHE HE2 1.0 1.752 3.428 120 48 A 99 PHE HD2 A 90 TYR HD2 1.0 1.752 3.428 121 48 A 99 PHE HD1 A 90 TYR HD1 1.0 1.752 3.428 122 48 A 90 TYR HD1 A 99 PHE HE1 1.0 1.752 3.428 123 48 A 99 PHE HD2 A 90 TYR HD1 1.0 1.752 3.428 124 49 A 63 PHE HA A 63 PHE HD1 1.0 1.628 2.920 125 49 A 63 PHE HD2 A 68 PHE HE2 1.0 1.628 2.920 126 49 A 63 PHE HD2 A 68 PHE HE1 1.0 1.628 2.920 127 49 A 63 PHE HA A 63 PHE HD2 1.0 1.628 2.920 128 49 A 63 PHE HD1 A 68 PHE HE1 1.0 1.628 2.920 129 49 A 63 PHE HD1 A 68 PHE HE2 1.0 1.628 2.920 130 50 A 84 ALA HA A 89 PHE HD1 1.0 1.711 3.249 131 50 A 84 ALA HA A 89 PHE HD2 1.0 1.711 3.249 132 50 A 82 TYR HA A 82 TYR HD2 1.0 1.711 3.249 133 50 A 82 TYR HA A 82 TYR HD1 1.0 1.711 3.249 134 51 A 99 PHE HD2 A 95 PHE HA 1.0 1.698 3.316 135 51 A 90 TYR HE2 A 95 PHE HA 1.0 1.698 3.316 136 51 A 90 TYR HE1 A 95 PHE HA 1.0 1.698 3.316 137 51 A 99 PHE HD1 A 95 PHE HA 1.0 1.698 3.316 138 52 A 94 HIS HB2 A 90 TYR HD2 1.0 1.605 2.839 139 52 A 94 HIS HB2 A 90 TYR HD1 1.0 1.605 2.839 140 52 A 68 PHE HB3 A 89 PHE HD2 1.0 1.605 2.839 141 52 A 89 PHE HD1 A 68 PHE HB3 1.0 1.605 2.839 142 53 A 99 PHE HB3 A 95 PHE HD2 1.0 1.750 3.422 143 53 A 99 PHE HB3 A 95 PHE HD1 1.0 1.750 3.422 144 53 A 90 TYR HB2 A 95 PHE HD2 1.0 1.750 3.422 145 53 A 90 TYR HB2 A 95 PHE HD1 1.0 1.750 3.422 146 54 A 88 GLU HB3 A 99 PHE HZ 1.0 1.789 3.457 147 54 A 90 TYR HE2 A 88 GLU HB3 1.0 1.789 3.457 148 54 A 90 TYR HE1 A 88 GLU HB3 1.0 1.789 3.457 149 55 A 90 TYR HE2 A 88 GLU HB2 1.0 1.675 3.099 150 55 A 90 TYR HE1 A 88 GLU HB2 1.0 1.675 3.099 151 55 A 90 TYR HE2 A 71 LYS HD3 1.0 1.675 3.099 152 55 A 90 TYR HE1 A 71 LYS HD3 1.0 1.675 3.099 153 56 A 56 LEU HG A 63 PHE HD2 1.0 1.773 3.531 154 56 A 56 LEU HG A 63 PHE HD1 1.0 1.773 3.531 155 56 A 63 PHE HD2 A 56 LEU HB2 1.0 1.773 3.531 156 56 A 63 PHE HD1 A 56 LEU HB2 1.0 1.773 3.531 157 57 A 98 LEU HB3 A 90 TYR HD1 1.0 1.674 3.094 158 57 A 79 LEU HD2% A 82 TYR HD1 1.0 1.674 3.094 159 57 A 98 LEU HB3 A 90 TYR HD2 1.0 1.674 3.094 160 57 A 79 LEU HD2% A 82 TYR HD2 1.0 1.674 3.094 161 58 A 61 LEU HB2 A 63 PHE HE1 1.0 1.723 3.301 162 58 A 61 LEU HB2 A 63 PHE HE2 1.0 1.723 3.301 163 58 A 79 LEU HD2% A 63 PHE HE2 1.0 1.723 3.301 164 58 A 79 LEU HD2% A 63 PHE HE1 1.0 1.723 3.301 165 59 A 44 ALA HB% A 89 PHE HZ 1.0 1.689 3.159 166 59 A 44 ALA HB% A 89 PHE HE2 1.0 1.689 3.159 167 59 A 44 ALA HB% A 89 PHE HE1 1.0 1.689 3.159 168 60 A 63 PHE HD1 A 56 LEU HD1% 1.0 1.711 3.249 169 60 A 99 PHE HD2 A 85 LEU HD1% 1.0 1.711 3.249 170 60 A 85 LEU HD1% A 99 PHE HE2 1.0 1.711 3.249 171 60 A 85 LEU HD1% A 99 PHE HE1 1.0 1.711 3.249 172 60 A 99 PHE HD1 A 85 LEU HD1% 1.0 1.711 3.249 173 60 A 63 PHE HD2 A 56 LEU HD1% 1.0 1.711 3.249 174 61 A 85 LEU HD2% A 99 PHE HE1 1.0 1.650 3.002 175 61 A 85 LEU HD2% A 99 PHE HE2 1.0 1.650 3.002 176 61 A 99 PHE HD2 A 85 LEU HD2% 1.0 1.650 3.002 177 61 A 99 PHE HD1 A 85 LEU HD2% 1.0 1.650 3.002 178 62 A 85 LEU HA A 95 PHE HE2 1.0 1.973 3.791 179 62 A 85 LEU HA A 95 PHE HE1 1.0 1.973 3.791 180 62 A 74 HIS HA A 74 HIS HD2 1.0 1.973 3.791 181 63 A 68 PHE HD1 A 89 PHE HD2 1.0 1.663 3.051 182 63 A 68 PHE HE1 A 82 TYR HD1 1.0 1.663 3.051 183 63 A 68 PHE HE1 A 82 TYR HD2 1.0 1.663 3.051 184 63 A 68 PHE HD2 A 89 PHE HD2 1.0 1.663 3.051 185 63 A 89 PHE HD1 A 68 PHE HD2 1.0 1.663 3.051 186 63 A 68 PHE HE2 A 82 TYR HD2 1.0 1.663 3.051 187 63 A 68 PHE HD1 A 89 PHE HD1 1.0 1.663 3.051 188 63 A 68 PHE HE2 A 82 TYR HD1 1.0 1.663 3.051 189 64 A 63 PHE HD2 A 68 PHE HE2 1.0 1.747 3.405 190 64 A 63 PHE HD1 A 68 PHE HD2 1.0 1.747 3.405 191 64 A 63 PHE HD2 A 68 PHE HE1 1.0 1.747 3.405 192 64 A 63 PHE HD1 A 68 PHE HD1 1.0 1.747 3.405 193 64 A 63 PHE HD1 A 68 PHE HE2 1.0 1.747 3.405 194 64 A 63 PHE HD2 A 68 PHE HD2 1.0 1.747 3.405 195 64 A 63 PHE HD1 A 68 PHE HE1 1.0 1.747 3.405 196 64 A 63 PHE HD2 A 68 PHE HD1 1.0 1.747 3.405 197 65 A 68 PHE HD1 A 63 PHE HE1 1.0 1.774 3.534 198 65 A 63 PHE HE2 A 68 PHE HE2 1.0 1.774 3.534 199 65 A 63 PHE HE1 A 68 PHE HE2 1.0 1.774 3.534 200 65 A 63 PHE HE1 A 68 PHE HD2 1.0 1.774 3.534 201 65 A 68 PHE HD1 A 63 PHE HE2 1.0 1.774 3.534 202 65 A 63 PHE HE2 A 68 PHE HD2 1.0 1.774 3.534 203 65 A 63 PHE HE2 A 68 PHE HE1 1.0 1.774 3.534 204 65 A 63 PHE HE1 A 68 PHE HE1 1.0 1.774 3.534 205 66 A 82 TYR HA A 83 ALA HB% 1.0 1.774 3.534 206 66 A 84 ALA HA A 83 ALA HB% 1.0 1.774 3.534 207 67 A 69 CYS HA A 77 LEU HD2% 1.0 1.736 3.356 208 67 A 77 LEU HD2% A 89 PHE HA 1.0 1.736 3.356 209 68 A 77 LEU HD1% A 91 CYS HA 1.0 1.774 3.534 210 68 A 77 LEU HD1% A 89 PHE HA 1.0 1.774 3.534 211 69 A 54 GLU HA A 54 GLU HG3 1.0 1.582 2.762 212 69 A 54 GLU HA A 54 GLU HB3 1.0 1.582 2.762 213 70 A 88 GLU HA A 88 GLU HG3 1.0 1.651 3.009 214 70 A 54 GLU HB2 A 54 GLU HA 1.0 1.651 3.009 215 71 A 69 CYS HB3 A 74 HIS HA 1.0 1.679 3.117 216 71 A 52 PRO HB3 A 53 MET HA 1.0 1.679 3.117 217 72 A 93 PRO HA A 96 GLN HBy 1.0 1.553 2.665 218 72 A 93 PRO HA A 93 PRO HB3 1.0 1.553 2.665 219 73 A 42 THR HG2% A 47 GLN HA 1.0 1.497 2.493 220 73 A 42 THR HG2% A 49 THR HA 1.0 1.497 2.493 221 74 A 49 THR HA A 50 VAL HG2% 1.0 1.602 2.828 222 74 A 43 CYS HA A 50 VAL HG2% 1.0 1.602 2.828 223 75 A 56 LEU HD2% A 56 LEU HA 1.0 1.665 3.061 224 75 A 56 LEU HD2% A 58 ALA HA 1.0 1.665 3.061 225 76 A 97 GLN HA A 97 GLN HG2 1.0 1.620 2.890 226 76 A 44 ALA HA A 47 GLN HG2 1.0 1.620 2.890 227 77 A 55 ARG HA A 55 ARG HG2 1.0 1.768 3.504 228 77 A 81 SER HB3 A 92 LYS HG2 1.0 1.768 3.504 229 78 A 53 MET HA A 53 MET HG3 1.0 1.644 2.980 230 78 A 99 PHE HB3 A 99 PHE HA 1.0 1.644 2.980 231 79 A 70 CYS HB3 A 91 CYS HB2 1.0 1.563 2.697 232 79 A 70 CYS HB3 A 70 CYS HB2 1.0 1.563 2.697 233 80 A 59 ASP HB2 A 59 ASP HB3 1.0 1.414 2.254 234 80 A 82 TYR HB2 A 82 TYR HB3 1.0 1.414 2.254 235 81 A 45 ALA HB% A 67 CYS HB2 1.0 1.694 3.176 236 81 A 45 ALA HB% A 63 PHE HB3 1.0 1.694 3.176 237 82 A 70 CYS HB2 A 75 THR HG2% 1.0 1.642 2.972 238 82 A 91 CYS HB2 A 75 THR HG2% 1.0 1.642 2.972 239 83 A 99 PHE HB2 A 99 PHE HA 1.0 1.610 2.856 240 83 A 61 LEU HA A 61 LEU HB3 1.0 1.610 2.856 241 84 A 56 LEU HG A 56 LEU HA 1.0 1.526 2.578 242 84 A 56 LEU HA A 56 LEU HB2 1.0 1.526 2.578 243 85 A 92 LYS HG3 A 92 LYS HG2 1.0 1.537 2.613 244 85 A 55 ARG HG2 A 55 ARG HG3 1.0 1.537 2.613 245 86 A 56 LEU HG A 79 LEU HD2% 1.0 1.701 3.207 246 86 A 98 LEU HG A 98 LEU HB3 1.0 1.701 3.207 247 87 A 61 LEU HD2% A 89 PHE HE2 1.0 1.746 3.402 248 87 A 44 ALA HB% A 89 PHE HE1 1.0 1.746 3.402 249 87 A 61 LEU HD2% A 89 PHE HE1 1.0 1.746 3.402 250 87 A 44 ALA HB% A 89 PHE HE2 1.0 1.746 3.402 251 88 A 61 LEU HB2 A 63 PHE HE1 1.0 1.658 3.036 252 88 A 44 ALA HB% A 63 PHE HE2 1.0 1.658 3.036 253 88 A 61 LEU HB2 A 63 PHE HE2 1.0 1.658 3.036 254 88 A 44 ALA HB% A 63 PHE HE1 1.0 1.658 3.036 255 89 A 50 VAL HG1% A 64 HIS HE1 1.0 1.749 3.415 256 89 A 82 TYR HD1 A 83 ALA HB% 1.0 1.749 3.415 257 89 A 89 PHE HD1 A 58 ALA HB% 1.0 1.749 3.415 258 89 A 58 ALA HB% A 89 PHE HD2 1.0 1.749 3.415 259 89 A 58 ALA HB% A 82 TYR HD1 1.0 1.749 3.415 260 89 A 82 TYR HD2 A 83 ALA HB% 1.0 1.749 3.415 261 89 A 58 ALA HB% A 82 TYR HD2 1.0 1.749 3.415 262 90 A 65 ASN HA A 56 LEU HD1% 1.0 1.552 2.664 263 90 A 70 CYS HA A 77 LEU HD2% 1.0 1.552 2.664 264 91 A 57 VAL HG2% A 58 ALA HA 1.0 1.725 3.309 265 91 A 57 VAL HG2% A 61 LEU HA 1.0 1.725 3.309 266 92 A 61 LEU HB2 A 61 LEU HA 1.0 1.429 2.297 267 92 A 61 LEU HA A 61 LEU HD2% 1.0 1.429 2.297 268 93 A 74 HIS HA A 75 THR HG2% 1.0 1.818 3.778 269 93 A 61 LEU HA A 61 LEU HD1% 1.0 1.818 3.778 270 94 A 49 THR HG2% A 49 THR HB 1.0 1.355 2.103 271 94 A 60 LYS HA A 57 VAL HG2% 1.0 1.355 2.103 272 95 A 79 LEU HD2% A 79 LEU HG 1.0 1.507 2.521 273 95 A 79 LEU HD2% A 79 LEU HB3 1.0 1.507 2.521 274 96 A 57 VAL HG2% A 57 VAL HB 1.0 1.515 2.547 275 96 A 57 VAL HG1% A 57 VAL HB 1.0 1.515 2.547 276 97 A 55 ARG HB3 A 50 VAL HG1% 1.0 1.709 3.239 277 97 A 55 ARG HB3 A 62 ILE HG2% 1.0 1.709 3.239 278 98 A 77 LEU HD2% A 75 THR HG2% 1.0 1.622 2.900 279 98 A 55 ARG HG2 A 62 ILE HD1% 1.0 1.622 2.900 280 99 A 85 LEU HB2 A 85 LEU HD1% 1.0 1.656 3.028 281 99 A 55 ARG HG3 A 62 ILE HD1% 1.0 1.656 3.028 282 100 A 61 LEU HB2 A 61 LEU HD1% 1.0 1.352 2.096 283 100 A 61 LEU HD2% A 61 LEU HD1% 1.0 1.352 2.096 284 101 A 57 VAL HG2% A 60 LYS HG2 1.0 1.723 3.299 285 101 A 55 ARG HG3 A 57 VAL HG1% 1.0 1.723 3.299 286 102 A 57 VAL HG1% A 62 ILE HG2% 1.0 1.754 3.442 287 102 A 57 VAL HG2% A 62 ILE HG2% 1.0 1.754 3.442 288 103 A 57 VAL HG2% A 62 ILE HD1% 1.0 1.523 2.569 289 103 A 57 VAL HG1% A 62 ILE HD1% 1.0 1.523 2.569 290 104 A 63 PHE HD2 A 58 ALA HB% 1.0 1.793 3.669 291 104 A 50 VAL HG1% A 63 PHE HD1 1.0 1.793 3.669 292 104 A 63 PHE HD1 A 58 ALA HB% 1.0 1.793 3.669 293 104 A 50 VAL HG1% A 63 PHE HD2 1.0 1.793 3.669 294 105 A 58 ALA HB% A 68 PHE HE2 1.0 1.633 2.941 295 105 A 50 VAL HG1% A 63 PHE HA 1.0 1.633 2.941 296 105 A 58 ALA HB% A 68 PHE HE1 1.0 1.633 2.941 297 106 A 98 LEU HA A 98 LEU HB2 1.0 1.420 2.274 298 106 A 98 LEU HA A 98 LEU HD2% 1.0 1.420 2.274 299 107 A 56 LEU HD2% A 56 LEU HB2 1.0 1.533 2.603 300 107 A 56 LEU HD2% A 56 LEU HG 1.0 1.533 2.603 301 108 A 98 LEU HB2 A 98 LEU HD1% 1.0 1.359 2.113 302 108 A 98 LEU HD2% A 98 LEU HD1% 1.0 1.359 2.113 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin 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 50 VAL H A 41 GLU O 1.0 1.8 2.3 2 2 A 41 GLU O A 50 VAL N 1.0 2.8 3.3 3 3 A 43 CYS H A 48 LYS O 1.0 1.8 2.3 4 4 A 48 LYS O A 43 CYS N 1.0 2.8 3.3 5 5 A 61 LEU H A 58 ALA O 1.0 1.8 2.3 6 6 A 58 ALA O A 61 LEU N 1.0 2.8 3.3 7 7 A 58 ALA H A 61 LEU O 1.0 1.8 2.3 8 8 A 61 LEU O A 58 ALA N 1.0 2.8 3.3 9 9 A 56 LEU H A 63 PHE O 1.0 1.8 2.3 10 10 A 63 PHE O A 56 LEU N 1.0 2.8 3.3 11 11 A 63 PHE H A 56 LEU O 1.0 1.8 2.3 12 12 A 56 LEU O A 63 PHE N 1.0 2.8 3.3 13 13 A 88 GLU H A 85 LEU O 1.0 1.8 2.3 14 14 A 85 LEU O A 88 GLU N 1.0 2.8 3.3 15 15 A 85 LEU H A 88 GLU O 1.0 1.8 2.3 16 16 A 88 GLU O A 85 LEU N 1.0 2.8 3.3 17 17 A 90 TYR H A 83 ALA O 1.0 1.8 2.3 18 18 A 83 ALA O A 90 TYR N 1.0 2.8 3.3 19 19 A 96 GLN H A 92 LYS O 1.0 1.8 2.3 20 20 A 92 LYS O A 96 GLN N 1.0 2.8 3.3 21 21 A 98 LEU H A 94 HIS O 1.0 1.8 2.3 22 22 A 94 HIS O A 98 LEU N 1.0 2.8 3.3 23 23 A 99 PHE H A 95 PHE O 1.0 1.8 2.3 24 24 A 95 PHE O A 99 PHE N 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 save_