data_nef_c19201_2m7q save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2I5O stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 60 HIS NE2 2 2 ZN ZN 1 56 HIS NE2 2 2 ZN ZN 1 29 HIS NE2 2 1 ZN ZN 1 33 HIS NE2 2 1 ZN ZN 1 40 CYS SG 2 2 ZN ZN 1 10 CYS SG 2 1 ZN ZN 1 13 CYS SG 2 1 ZN ZN 1 37 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 1 GLY start . false 2 A 2 PRO middle . false 3 A 3 HIS middle . . 4 A 4 MET middle . . 5 A 5 ASP middle . . 6 A 6 VAL middle . . 7 A 7 HIS middle . . 8 A 8 LYS middle . . 9 A 9 LYS middle . . 10 A 10 CYS middle -HG . 11 A 11 PRO middle . false 12 A 12 LEU middle . . 13 A 13 CYS middle -HG . 14 A 14 GLU middle . . 15 A 15 LEU middle . . 16 A 16 MET middle . . 17 A 17 PHE middle . . 18 A 18 PRO middle . false 19 A 19 PRO middle . false 20 A 20 ASN middle . . 21 A 21 TYR middle . . 22 A 22 ASP middle . . 23 A 23 GLN middle . . 24 A 24 SER middle . . 25 A 25 LYS middle . . 26 A 26 PHE middle . . 27 A 27 GLU middle . . 28 A 28 GLU middle . . 29 A 29 HIS middle -HE2 . 30 A 30 VAL middle . . 31 A 31 GLU middle . . 32 A 32 SER middle . . 33 A 33 HIS middle -HE2 . 34 A 34 TRP middle . . 35 A 35 LYS middle . . 36 A 36 VAL middle . . 37 A 37 CYS middle -HG . 38 A 38 PRO middle . false 39 A 39 MET middle . . 40 A 40 CYS middle -HG . 41 A 41 SER middle . . 42 A 42 GLU middle . . 43 A 43 GLN middle . . 44 A 44 PHE middle . . 45 A 45 PRO middle . false 46 A 46 PRO middle . false 47 A 47 ASP middle . . 48 A 48 TYR middle . . 49 A 49 ASP middle . . 50 A 50 GLN middle . . 51 A 51 GLN middle . . 52 A 52 VAL middle . . 53 A 53 PHE middle . . 54 A 54 GLU middle . . 55 A 55 ARG middle . . 56 A 56 HIS middle -HE2 . 57 A 57 VAL middle . . 58 A 58 GLN middle . . 59 A 59 THR middle . . 60 A 60 HIS middle -HE2 . 61 A 61 PHE middle . . 62 A 62 ASP middle . . 63 A 63 GLN middle . . 64 A 64 ASN middle . . 65 A 65 VAL middle . . 66 A 66 LEU middle . . 67 A 67 ASN middle . . 68 A 68 PHE middle . . 69 A 69 ASP end . . 70 B 1 ZN . . . 71 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 1 GLY HAx H 1 3.95262 0.00344 A 1 GLY HAy H 1 3.95262 0.00344 A 1 GLY CA C 13 43.26604 1.26159E-6 A 2 PRO HA H 1 4.43106 0.00366 A 2 PRO HBx H 1 1.83464 0.00297 A 2 PRO HBy H 1 2.24445 0.00182 A 2 PRO HDx H 1 3.5361 0.00297 A 2 PRO HDy H 1 3.5361 0.00297 A 2 PRO HGx H 1 1.93833 0.01012 A 2 PRO HGy H 1 1.95842 0.00996 A 2 PRO C C 13 176.54184 0.000 A 2 PRO CA C 13 62.96824 0.03736 A 2 PRO CB C 13 32.29896 0.03172 A 2 PRO CD C 13 49.65717 0.03945 A 2 PRO CG C 13 27.14257 0.03833 A 3 HIS H H 1 8.65142 0.00181 A 3 HIS HA H 1 4.64317 0.0031 A 3 HIS HBx H 1 3.15924 0.00744 A 3 HIS HBy H 1 3.15924 0.00744 A 3 HIS HD2 H 1 7.19447 0.00153 A 3 HIS C C 13 174.59783 0.000 A 3 HIS CA C 13 55.72551 0.03118 A 3 HIS CB C 13 29.49474 0.02431 A 3 HIS CD2 C 13 120.12844 1.3487E-6 A 3 HIS N N 15 119.52841 0.01116 A 4 MET H H 1 8.40256 0.0023 A 4 MET HA H 1 4.47437 0.00199 A 4 MET HBx H 1 1.91437 0.00124 A 4 MET HBy H 1 2.01589 0.00113 A 4 MET HE% H 1 2.02445 0.00537 A 4 MET HGx H 1 2.45787 1.79691E-5 A 4 MET HGy H 1 2.53035 0.00211 A 4 MET C C 13 175.41895 0.000 A 4 MET CA C 13 55.20738 0.03639 A 4 MET CB C 13 33.1579 0.02858 A 4 MET CE C 13 16.88806 4.12953E-7 A 4 MET CG C 13 31.9051 3.99854E-4 A 4 MET N N 15 122.54147 0.00464 A 5 ASP H H 1 8.51287 0.00251 A 5 ASP HA H 1 4.62495 0.00302 A 5 ASP HBx H 1 2.56166 0.00199 A 5 ASP HBy H 1 2.6303 0.00208 A 5 ASP C C 13 175.73375 0.000 A 5 ASP CA C 13 54.25858 0.03333 A 5 ASP CB C 13 41.32346 0.0175 A 5 ASP N N 15 122.33279 0.00733 A 6 VAL H H 1 8.01069 0.00184 A 6 VAL HA H 1 4.14537 0.00154 A 6 VAL HB H 1 2.06044 0.00289 A 6 VAL HGx% H 1 0.84155 0.00602 A 6 VAL HGy% H 1 0.84873 0.00395 A 6 VAL C C 13 175.68612 0.000 A 6 VAL CA C 13 61.85521 0.03637 A 6 VAL CB C 13 32.99714 0.109 A 6 VAL CGx C 13 19.93253 0.02198 A 6 VAL CGy C 13 21.16445 0.01853 A 6 VAL N N 15 118.76157 0.02002 A 7 HIS H H 1 8.32344 0.00322 A 7 HIS HA H 1 4.49927 0.00638 A 7 HIS HBx H 1 2.98968 0.0023 A 7 HIS HBy H 1 3.12946 0.00484 A 7 HIS HD2 H 1 6.99469 0.00139 A 7 HIS C C 13 174.4559 0.000 A 7 HIS CA C 13 56.09692 0.04134 A 7 HIS CB C 13 30.6242 0.03075 A 7 HIS CD2 C 13 120.27575 1.3487E-6 A 7 HIS N N 15 121.43039 0.01981 A 8 LYS H H 1 8.51498 0.00261 A 8 LYS HA H 1 4.3205 0.00318 A 8 LYS HBx H 1 1.30045 0.00556 A 8 LYS HBy H 1 1.42244 0.00391 A 8 LYS HDx H 1 1.13943 0.00653 A 8 LYS HDy H 1 1.26886 0.00285 A 8 LYS HEx H 1 2.52177 1.03238E-7 A 8 LYS HEy H 1 2.62408 7.30005E-8 A 8 LYS HGx H 1 0.98182 0.00776 A 8 LYS HGy H 1 1.14683 0.00719 A 8 LYS C C 13 174.44286 0.000 A 8 LYS CA C 13 55.89558 0.03808 A 8 LYS CB C 13 33.98412 0.04044 A 8 LYS CD C 13 29.25956 0.02072 A 8 LYS CE C 13 41.97003 0.01179 A 8 LYS CG C 13 24.77864 0.05301 A 8 LYS N N 15 122.59074 0.03259 A 9 LYS H H 1 8.38263 0.00384 A 9 LYS HA H 1 5.17834 0.00393 A 9 LYS HBx H 1 1.59359 0.00475 A 9 LYS HBy H 1 1.71132 0.00781 A 9 LYS HDx H 1 1.55297 0.00239 A 9 LYS HDy H 1 1.71046 0.00697 A 9 LYS HEx H 1 2.94952 0.00446 A 9 LYS HEy H 1 2.94952 0.00446 A 9 LYS HGx H 1 1.28443 0.00364 A 9 LYS HGy H 1 1.59298 0.00494 A 9 LYS C C 13 176.37367 0.000 A 9 LYS CA C 13 54.57024 0.02591 A 9 LYS CB C 13 35.48726 0.04986 A 9 LYS CD C 13 29.28771 0.03014 A 9 LYS CE C 13 41.98791 0.02446 A 9 LYS CG C 13 23.83098 0.08345 A 9 LYS N N 15 124.78686 0.02391 A 10 CYS H H 1 8.99905 0.00452 A 10 CYS HA H 1 4.81575 0.00234 A 10 CYS HBx H 1 2.97725 0.00561 A 10 CYS HBy H 1 3.44066 0.00507 A 10 CYS CA C 13 57.95957 0.02038 A 10 CYS CB C 13 30.73087 0.07391 A 10 CYS N N 15 129.69777 0.02314 A 11 PRO HA H 1 4.58235 0.00233 A 11 PRO HBx H 1 2.05419 0.00327 A 11 PRO HBy H 1 2.47079 0.00113 A 11 PRO HDx H 1 4.12684 0.00675 A 11 PRO HDy H 1 4.4559 0.00299 A 11 PRO HGx H 1 2.04914 0.00323 A 11 PRO HGy H 1 2.27902 0.00176 A 11 PRO C C 13 177.21894 0.000 A 11 PRO CA C 13 64.20061 0.03243 A 11 PRO CB C 13 32.321 0.04263 A 11 PRO CD C 13 51.42651 0.03759 A 11 PRO CG C 13 27.24263 0.06342 A 12 LEU H H 1 9.34742 0.00245 A 12 LEU HA H 1 4.4063 0.00157 A 12 LEU HBx H 1 0.92884 0.00435 A 12 LEU HBy H 1 0.92884 0.00435 A 12 LEU HDx% H 1 0.74915 0.00643 A 12 LEU HDy% H 1 0.78683 0.00841 A 12 LEU HG H 1 1.39635 0.00149 A 12 LEU C C 13 176.49192 0.000 A 12 LEU CA C 13 55.14396 0.01945 A 12 LEU CB C 13 43.24188 0.05374 A 12 LEU CDx C 13 23.04902 0.0434 A 12 LEU CDy C 13 26.04453 0.07549 A 12 LEU CG C 13 27.55378 0.00873 A 12 LEU N N 15 121.84568 0.01951 A 13 CYS H H 1 7.87867 0.00585 A 13 CYS HA H 1 4.9413 0.00176 A 13 CYS HBx H 1 2.83743 0.00373 A 13 CYS HBy H 1 3.34143 0.00719 A 13 CYS C C 13 173.79244 0.000 A 13 CYS CA C 13 58.54145 0.02297 A 13 CYS CB C 13 30.88905 0.0639 A 13 CYS N N 15 119.50893 0.01685 A 14 GLU H H 1 8.11201 0.00389 A 14 GLU HA H 1 4.16393 0.00652 A 14 GLU HBx H 1 2.10831 0.00501 A 14 GLU HBy H 1 2.22446 8.06619E-4 A 14 GLU HGx H 1 2.12753 0.0101 A 14 GLU HGy H 1 2.2263 0.00195 A 14 GLU C C 13 175.83085 0.000 A 14 GLU CA C 13 57.39883 0.03503 A 14 GLU CB C 13 28.73681 0.05751 A 14 GLU CG C 13 36.3118 0.08385 A 14 GLU N N 15 114.44298 0.01962 A 15 LEU H H 1 8.40331 0.00629 A 15 LEU HA H 1 3.86797 0.00368 A 15 LEU HBx H 1 0.99559 0.00623 A 15 LEU HBy H 1 1.41234 0.00527 A 15 LEU HDx% H 1 0.25698 0.00208 A 15 LEU HDy% H 1 0.59527 0.00297 A 15 LEU HG H 1 1.0078 0.00878 A 15 LEU C C 13 174.89975 0.000 A 15 LEU CA C 13 57.10464 0.02342 A 15 LEU CB C 13 43.17028 0.05539 A 15 LEU CDy C 13 24.47389 0.12179 A 15 LEU CDx C 13 23.69598 0.02901 A 15 LEU CG C 13 26.31917 0.02528 A 15 LEU N N 15 124.33784 0.03976 A 16 MET H H 1 7.73833 0.00438 A 16 MET HA H 1 4.96434 0.00593 A 16 MET HBx H 1 1.76767 0.00864 A 16 MET HBy H 1 1.76767 0.00864 A 16 MET HE% H 1 1.88932 0.00123 A 16 MET HGx H 1 2.37068 0.00389 A 16 MET HGy H 1 2.47883 0.00102 A 16 MET C C 13 175.45746 0.000 A 16 MET CA C 13 53.69905 0.03592 A 16 MET CB C 13 34.77865 0.05764 A 16 MET CE C 13 16.87597 0.000 A 16 MET CG C 13 31.93809 0.05535 A 16 MET N N 15 121.13785 0.02272 A 17 PHE H H 1 8.86791 0.00412 A 17 PHE HA H 1 4.53377 0.00641 A 17 PHE HBx H 1 2.46528 0.00263 A 17 PHE HBy H 1 2.54725 8.9374E-4 A 17 PHE HDx H 1 6.60038 0.00359 A 17 PHE HEx H 1 6.83548 0.00279 A 17 PHE HZ H 1 6.47613 0.00307 A 17 PHE CA C 13 55.5699 0.01755 A 17 PHE CB C 13 39.80101 0.02689 A 17 PHE CDx C 13 131.93704 7.62939E-6 A 17 PHE CEx C 13 130.32358 6.60725E-6 A 17 PHE CZ C 13 129.10295 1.90735E-6 A 17 PHE N N 15 122.41662 0.01763 A 18 PRO HA H 1 4.55719 0.00791 A 18 PRO HBx H 1 2.03977 0.00432 A 18 PRO HBy H 1 2.41028 0.00462 A 18 PRO HDx H 1 3.51961 0.01204 A 18 PRO HDy H 1 3.75586 0.0051 A 18 PRO HGx H 1 2.14082 0.00488 A 18 PRO HGy H 1 2.14082 0.00488 A 18 PRO CA C 13 61.59596 0.02465 A 18 PRO CB C 13 31.06528 0.10735 A 18 PRO CD C 13 50.47422 0.05099 A 18 PRO CG C 13 27.53533 0.03922 A 19 PRO HA H 1 4.22124 0.00396 A 19 PRO HBx H 1 1.81991 0.003 A 19 PRO HBy H 1 2.15403 0.00231 A 19 PRO HDx H 1 3.3243 0.003 A 19 PRO HDy H 1 3.57672 0.00856 A 19 PRO HGx H 1 1.7407 0.00302 A 19 PRO HGy H 1 1.97244 0.00312 A 19 PRO C C 13 176.89947 0.000 A 19 PRO CA C 13 64.17264 0.0276 A 19 PRO CB C 13 31.83011 0.03348 A 19 PRO CD C 13 50.0527 0.035 A 19 PRO CG C 13 27.66427 0.05539 A 20 ASN H H 1 8.32954 0.00357 A 20 ASN HA H 1 4.5615 0.00189 A 20 ASN HBx H 1 2.82485 0.00425 A 20 ASN HBy H 1 2.95298 0.00269 A 20 ASN HD2x H 1 6.87961 0.00335 A 20 ASN HD2y H 1 7.59507 0.00252 A 20 ASN C C 13 174.73742 0.000 A 20 ASN CA C 13 52.88413 0.04187 A 20 ASN CB C 13 37.27063 0.04441 A 20 ASN N N 15 113.73064 0.01014 A 20 ASN ND2 N 15 112.85559 0.04036 A 21 TYR H H 1 7.66573 0.00277 A 21 TYR HA H 1 4.20384 0.00164 A 21 TYR HBx H 1 2.73614 0.00498 A 21 TYR HBy H 1 3.28531 0.00536 A 21 TYR HDx H 1 6.9974 0.0048 A 21 TYR HEx H 1 6.55679 0.00214 A 21 TYR C C 13 174.91583 0.000 A 21 TYR CA C 13 58.94115 0.0504 A 21 TYR CB C 13 39.45416 0.01733 A 21 TYR CDx C 13 133.58597 0.04181 A 21 TYR CEx C 13 118.56842 0.12707 A 21 TYR N N 15 121.54831 0.01164 A 22 ASP H H 1 7.83185 0.00224 A 22 ASP HA H 1 4.26384 0.00392 A 22 ASP HBx H 1 2.31855 0.00347 A 22 ASP HBy H 1 2.45878 0.00467 A 22 ASP C C 13 176.53596 0.000 A 22 ASP CA C 13 54.92697 0.04452 A 22 ASP CB C 13 42.32697 0.05228 A 22 ASP N N 15 126.19089 0.01502 A 23 GLN H H 1 8.89066 0.00318 A 23 GLN HA H 1 3.99021 0.00285 A 23 GLN HBx H 1 1.99494 4.8503E-4 A 23 GLN HBy H 1 2.22 1.35113E-4 A 23 GLN HE2x H 1 6.78401 0.00111 A 23 GLN HE2y H 1 8.0322 0.00122 A 23 GLN HGx H 1 2.45957 0.00558 A 23 GLN HGy H 1 2.45957 0.00558 A 23 GLN C C 13 178.01088 0.000 A 23 GLN CA C 13 58.95463 0.01981 A 23 GLN CB C 13 27.982 0.04295 A 23 GLN CG C 13 32.63429 0.06212 A 23 GLN N N 15 127.7937 0.01227 A 23 GLN NE2 N 15 112.2364 0.0044 A 24 SER H H 1 8.47884 0.00461 A 24 SER HA H 1 4.29788 0.00216 A 24 SER HBx H 1 3.94648 0.00341 A 24 SER HBy H 1 3.94648 0.00341 A 24 SER C C 13 177.41877 0.000 A 24 SER CA C 13 61.97493 0.02906 A 24 SER CB C 13 61.97502 0.07651 A 24 SER N N 15 115.54237 0.01484 A 25 LYS H H 1 7.73391 0.00315 A 25 LYS HA H 1 4.17928 0.00611 A 25 LYS HBx H 1 1.77679 0.00752 A 25 LYS HBy H 1 1.9 0.00559 A 25 LYS HDx H 1 1.5279 0.00187 A 25 LYS HDy H 1 1.62285 0.0079 A 25 LYS HEx H 1 2.93784 0.01189 A 25 LYS HEy H 1 2.95148 0.01185 A 25 LYS HGx H 1 1.40799 0.00556 A 25 LYS HGy H 1 1.47334 0.00545 A 25 LYS C C 13 180.06449 0.000 A 25 LYS CA C 13 58.30532 0.03138 A 25 LYS CB C 13 31.67122 0.04735 A 25 LYS CD C 13 28.40562 0.03388 A 25 LYS CE C 13 42.08272 0.00655 A 25 LYS CG C 13 25.13344 0.04012 A 25 LYS N N 15 123.09935 0.01968 A 26 PHE H H 1 8.41367 0.00199 A 26 PHE HA H 1 3.85024 0.00277 A 26 PHE HBx H 1 2.77169 0.0048 A 26 PHE HBy H 1 3.2513 0.01019 A 26 PHE HDy H 1 6.4955 0.00282 A 26 PHE HEy H 1 7.12062 0.00447 A 26 PHE HZ H 1 7.26168 0.00224 A 26 PHE C C 13 176.46888 0.000 A 26 PHE CA C 13 61.75863 0.02263 A 26 PHE CB C 13 39.16274 0.0726 A 26 PHE CDy C 13 131.44226 5.3948E-6 A 26 PHE CEy C 13 131.28799 3.30362E-6 A 26 PHE CZ C 13 129.67578 2.6974E-6 A 26 PHE N N 15 123.74609 0.02331 A 27 GLU H H 1 8.49691 0.00316 A 27 GLU HA H 1 3.74099 0.0027 A 27 GLU HBx H 1 2.05062 0.00701 A 27 GLU HBy H 1 2.15894 0.00257 A 27 GLU HGx H 1 2.4169 0.00378 A 27 GLU HGy H 1 2.66137 0.0036 A 27 GLU C C 13 178.777 0.000 A 27 GLU CA C 13 59.61652 0.02628 A 27 GLU CB C 13 28.68187 0.04032 A 27 GLU CG C 13 36.44871 0.03968 A 27 GLU N N 15 118.95722 0.0183 A 28 GLU H H 1 7.96748 0.00185 A 28 GLU HA H 1 3.9215 0.00276 A 28 GLU HBx H 1 2.07835 0.00542 A 28 GLU HBy H 1 2.16279 0.00319 A 28 GLU HGx H 1 2.16498 0.00395 A 28 GLU HGy H 1 2.41207 0.00425 A 28 GLU C C 13 179.24069 0.000 A 28 GLU CA C 13 59.24456 0.04781 A 28 GLU CB C 13 29.75904 0.04035 A 28 GLU CG C 13 36.32032 0.09008 A 28 GLU N N 15 118.81203 0.01368 A 29 HIS H H 1 7.79052 0.00462 A 29 HIS HA H 1 4.143 0.0032 A 29 HIS HBx H 1 3.34427 0.00421 A 29 HIS HBy H 1 3.4756 0.00563 A 29 HIS HD2 H 1 7.10283 0.00217 A 29 HIS HE1 H 1 7.81221 0.00339 A 29 HIS C C 13 178.48417 0.000 A 29 HIS CA C 13 60.35477 0.02365 A 29 HIS CB C 13 27.06109 0.06448 A 29 HIS CD2 C 13 128.34473 5.72205E-6 A 29 HIS CE1 C 13 140.2592 0.03434 A 29 HIS N N 15 118.11705 0.01149 A 30 VAL H H 1 8.20199 0.00367 A 30 VAL HA H 1 3.40829 0.00334 A 30 VAL HB H 1 1.98159 0.00393 A 30 VAL HGx% H 1 0.81236 0.00213 A 30 VAL HGy% H 1 0.99039 0.00579 A 30 VAL C C 13 178.30281 0.000 A 30 VAL CA C 13 67.87486 0.04318 A 30 VAL CB C 13 31.76682 0.04537 A 30 VAL CGy C 13 22.42421 0.01439 A 30 VAL CGx C 13 21.74307 0.05548 A 30 VAL N N 15 122.41596 0.01098 A 31 GLU H H 1 7.96921 0.00429 A 31 GLU HA H 1 3.72531 0.00407 A 31 GLU HBx H 1 1.89342 0.00374 A 31 GLU HBy H 1 1.89342 0.00374 A 31 GLU HGx H 1 2.01252 0.00417 A 31 GLU HGy H 1 2.30088 0.0047 A 31 GLU C C 13 178.07123 0.000 A 31 GLU CA C 13 58.02705 0.0478 A 31 GLU CB C 13 28.77069 0.03394 A 31 GLU CG C 13 35.66475 0.07894 A 31 GLU N N 15 115.74633 0.01968 A 32 SER H H 1 7.584 0.00286 A 32 SER HA H 1 4.22282 0.00297 A 32 SER HBx H 1 3.85569 0.00403 A 32 SER HBy H 1 3.8557 0.00403 A 32 SER C C 13 174.85524 0.000 A 32 SER CA C 13 60.64481 0.02654 A 32 SER CB C 13 62.81534 0.0483 A 32 SER N N 15 115.84527 0.01904 A 33 HIS H H 1 7.28613 0.00437 A 33 HIS HA H 1 4.44891 0.00221 A 33 HIS HBx H 1 3.00688 0.00743 A 33 HIS HBy H 1 3.09486 0.00498 A 33 HIS HD2 H 1 6.77659 0.00715 A 33 HIS HE1 H 1 7.90751 0.00233 A 33 HIS C C 13 175.5242 0.000 A 33 HIS CA C 13 57.02554 0.05105 A 33 HIS CB C 13 29.30339 0.04342 A 33 HIS CE1 C 13 139.93689 0.03863 A 33 HIS N N 15 118.63491 0.0263 A 34 TRP H H 1 7.94878 0.0042 A 34 TRP HA H 1 4.33566 0.00325 A 34 TRP HBx H 1 3.15297 0.00253 A 34 TRP HBy H 1 3.15297 0.00253 A 34 TRP HD1 H 1 7.23348 0.00599 A 34 TRP HE1 H 1 10.03719 0.00491 A 34 TRP HE3 H 1 7.35653 0.00279 A 34 TRP HH2 H 1 7.15714 0.00308 A 34 TRP HZ2 H 1 7.43282 0.00144 A 34 TRP HZ3 H 1 6.92792 0.00727 A 34 TRP C C 13 175.64398 0.000 A 34 TRP CA C 13 58.32397 0.03369 A 34 TRP CB C 13 29.26231 0.07669 A 34 TRP CD1 C 13 126.69646 0.26817 A 34 TRP CE3 C 13 121.33689 0.19567 A 34 TRP CH2 C 13 124.79462 0.03333 A 34 TRP CZ2 C 13 114.55635 0.06681 A 34 TRP CZ3 C 13 121.32062 0.0103 A 34 TRP N N 15 121.21854 0.02168 A 34 TRP NE1 N 15 128.65632 0.02094 A 35 LYS H H 1 8.58085 0.00355 A 35 LYS HA H 1 4.34035 0.00785 A 35 LYS HBx H 1 0.86379 0.00547 A 35 LYS HBy H 1 1.29529 0.00261 A 35 LYS HDx H 1 1.11321 0.00284 A 35 LYS HDy H 1 1.11321 0.00284 A 35 LYS HGx H 1 0.92634 0.00475 A 35 LYS HGy H 1 1.11475 0.00784 A 35 LYS C C 13 175.28638 0.000 A 35 LYS CA C 13 55.60557 0.02406 A 35 LYS CB C 13 33.38526 0.05437 A 35 LYS CD C 13 29.25541 0.000 A 35 LYS CG C 13 24.85066 0.07254 A 35 LYS N N 15 122.87153 0.02854 A 36 VAL H H 1 8.313 0.00229 A 36 VAL HA H 1 4.93114 0.00477 A 36 VAL HB H 1 1.93017 0.00309 A 36 VAL HGx% H 1 0.86061 0.0077 A 36 VAL HGy% H 1 0.87561 0.00927 A 36 VAL C C 13 176.31976 0.000 A 36 VAL CA C 13 60.35489 0.03803 A 36 VAL CB C 13 34.60686 0.05526 A 36 VAL CGx C 13 21.01248 4.76837E-7 A 36 VAL CGy C 13 21.01248 4.76837E-7 A 36 VAL N N 15 122.38595 0.02729 A 37 CYS H H 1 9.16489 0.00294 A 37 CYS HA H 1 4.90352 0.00142 A 37 CYS HBx H 1 3.05074 0.0044 A 37 CYS HBy H 1 3.49222 0.00355 A 37 CYS CA C 13 57.45979 0.01697 A 37 CYS CB C 13 30.63815 0.05489 A 37 CYS N N 15 130.37817 0.02241 A 38 PRO HA H 1 4.58276 0.00131 A 38 PRO HBx H 1 2.09979 0.00204 A 38 PRO HBy H 1 2.47015 2.09409E-4 A 38 PRO HDx H 1 4.25442 0.00304 A 38 PRO HDy H 1 4.39881 0.00481 A 38 PRO HGx H 1 2.0374 0.00637 A 38 PRO HGy H 1 2.29586 0.00989 A 38 PRO C C 13 176.93274 0.000 A 38 PRO CA C 13 64.21981 0.06833 A 38 PRO CB C 13 32.31528 0.03436 A 38 PRO CD C 13 51.51284 0.014 A 38 PRO CG C 13 27.22038 0.04691 A 39 MET H H 1 9.05403 0.00358 A 39 MET HA H 1 4.53412 0.00169 A 39 MET HBx H 1 1.06806 0.00521 A 39 MET HBy H 1 1.38387 0.00358 A 39 MET HE% H 1 1.87779 0.00135 A 39 MET HGx H 1 2.21597 0.00537 A 39 MET HGy H 1 2.28419 0.00515 A 39 MET C C 13 176.45353 0.000 A 39 MET CA C 13 55.97079 0.04072 A 39 MET CB C 13 32.53895 0.12818 A 39 MET CE C 13 17.60149 5.3312E-7 A 39 MET CG C 13 32.70068 0.0888 A 39 MET N N 15 119.18046 0.01461 A 40 CYS H H 1 8.0958 0.00303 A 40 CYS HA H 1 5.02295 0.00339 A 40 CYS HBx H 1 2.67948 0.00291 A 40 CYS HBy H 1 3.4371 0.00543 A 40 CYS C C 13 175.28798 0.000 A 40 CYS CA C 13 58.57031 0.05369 A 40 CYS CB C 13 31.70077 0.03589 A 40 CYS N N 15 118.41351 0.01881 A 41 SER H H 1 7.91616 0.00224 A 41 SER HA H 1 4.29142 0.00152 A 41 SER HBx H 1 3.9876 8.0086E-4 A 41 SER HBy H 1 4.13597 0.00694 A 41 SER C C 13 173.19281 0.000 A 41 SER CA C 13 60.40106 0.0546 A 41 SER CB C 13 62.17673 0.02131 A 41 SER N N 15 113.63779 0.01461 A 42 GLU H H 1 8.48255 0.00424 A 42 GLU HA H 1 3.91936 0.00703 A 42 GLU HBx H 1 1.36434 0.00321 A 42 GLU HBy H 1 2.01286 0.00313 A 42 GLU HGx H 1 1.55991 0.00206 A 42 GLU HGy H 1 1.87818 0.00527 A 42 GLU C C 13 174.37334 0.000 A 42 GLU CA C 13 58.35034 0.02354 A 42 GLU CB C 13 29.6524 0.06894 A 42 GLU CG C 13 35.77433 0.07168 A 42 GLU N N 15 124.84864 0.0188 A 43 GLN H H 1 8.04729 0.00401 A 43 GLN HA H 1 5.04206 0.00409 A 43 GLN HBx H 1 1.7915 0.0029 A 43 GLN HBy H 1 1.90796 0.00954 A 43 GLN HE2x H 1 6.42897 0.00507 A 43 GLN HE2y H 1 7.09821 9.60461E-4 A 43 GLN HGx H 1 2.13441 0.00551 A 43 GLN HGy H 1 2.32799 0.00579 A 43 GLN C C 13 175.25118 0.000 A 43 GLN CA C 13 54.3941 0.05889 A 43 GLN CB C 13 31.22243 0.06503 A 43 GLN CG C 13 34.07323 0.08659 A 43 GLN N N 15 122.06141 0.01387 A 43 GLN NE2 N 15 110.93114 0.02281 A 44 PHE H H 1 9.31157 0.00298 A 44 PHE HA H 1 4.67807 0.00368 A 44 PHE HBx H 1 2.3819 0.00717 A 44 PHE HBy H 1 2.45519 0.00239 A 44 PHE HDy H 1 6.6898 0.00425 A 44 PHE HEy H 1 6.79544 0.00201 A 44 PHE HZ H 1 6.15298 0.00267 A 44 PHE CA C 13 54.99434 0.03595 A 44 PHE CB C 13 39.90839 0.04865 A 44 PHE CDy C 13 132.09672 0.11453 A 44 PHE CEy C 13 130.17949 1.90735E-6 A 44 PHE CZ C 13 128.56583 0.000 A 44 PHE N N 15 122.82653 0.02037 A 45 PRO HA H 1 3.53097 0.00732 A 45 PRO HBx H 1 1.81223 0.0042 A 45 PRO HBy H 1 1.89117 0.00613 A 45 PRO HDx H 1 3.4579 0.00215 A 45 PRO HDy H 1 3.65626 0.0048 A 45 PRO HGx H 1 1.92064 0.01151 A 45 PRO HGy H 1 1.92064 0.01151 A 45 PRO CA C 13 61.21086 0.03213 A 45 PRO CB C 13 30.88881 0.04355 A 45 PRO CD C 13 50.39062 0.03437 A 45 PRO CG C 13 27.43347 1.11828E-6 A 46 PRO HA H 1 4.16418 0.00352 A 46 PRO HBx H 1 1.74971 0.00766 A 46 PRO HBy H 1 2.12741 0.00413 A 46 PRO HDx H 1 2.43347 0.00425 A 46 PRO HDy H 1 3.15911 0.00436 A 46 PRO HGx H 1 1.45553 0.00392 A 46 PRO HGy H 1 1.74786 0.01003 A 46 PRO C C 13 176.6206 0.000 A 46 PRO CA C 13 64.45053 0.02731 A 46 PRO CB C 13 31.89022 0.05099 A 46 PRO CD C 13 49.44841 0.02459 A 46 PRO CG C 13 27.54116 0.04338 A 47 ASP H H 1 8.02821 0.00326 A 47 ASP HA H 1 4.47598 0.00275 A 47 ASP HBx H 1 2.5251 0.00304 A 47 ASP HBy H 1 2.77202 0.00173 A 47 ASP C C 13 175.83124 0.000 A 47 ASP CA C 13 52.88335 0.06822 A 47 ASP CB C 13 39.55086 0.02552 A 47 ASP N N 15 113.41067 0.01278 A 48 TYR H H 1 7.81194 0.00297 A 48 TYR HA H 1 4.20258 0.003 A 48 TYR HBx H 1 2.75205 0.01044 A 48 TYR HBy H 1 3.15481 0.00429 A 48 TYR HDy H 1 7.02108 0.00285 A 48 TYR HEy H 1 6.58927 0.00311 A 48 TYR C C 13 175.18863 0.000 A 48 TYR CA C 13 58.80867 0.0844 A 48 TYR CB C 13 39.30716 0.06091 A 48 TYR CDy C 13 133.2412 0.04504 A 48 TYR CEy C 13 118.44448 1.3487E-6 A 48 TYR N N 15 122.52685 0.01597 A 49 ASP H H 1 8.0122 0.00301 A 49 ASP HA H 1 4.30864 0.00385 A 49 ASP HBx H 1 2.48911 0.00428 A 49 ASP HBy H 1 2.53909 5.60583E-4 A 49 ASP C C 13 176.99557 0.000 A 49 ASP CA C 13 54.87748 0.06099 A 49 ASP CB C 13 42.30468 0.02394 A 49 ASP N N 15 125.42633 0.01954 A 50 GLN H H 1 8.87258 0.0028 A 50 GLN HA H 1 3.98881 0.00364 A 50 GLN HBx H 1 1.99519 1.08963E-4 A 50 GLN HBy H 1 2.23792 0.00319 A 50 GLN HE2x H 1 6.82717 0.00176 A 50 GLN HE2y H 1 8.07282 7.66537E-4 A 50 GLN HGx H 1 2.48835 0.00349 A 50 GLN HGy H 1 2.48835 0.00349 A 50 GLN C C 13 177.77919 0.000 A 50 GLN CA C 13 58.91818 0.04769 A 50 GLN CB C 13 28.25839 0.03483 A 50 GLN CG C 13 32.61042 0.0544 A 50 GLN N N 15 126.95814 0.01437 A 50 GLN NE2 N 15 112.10661 0.00798 A 51 GLN H H 1 8.42488 0.00264 A 51 GLN HA H 1 4.15258 0.00328 A 51 GLN HBx H 1 2.09755 0.00588 A 51 GLN HBy H 1 2.21244 0.00163 A 51 GLN HE2x H 1 6.86204 0.00149 A 51 GLN HE2y H 1 7.68331 7.32173E-4 A 51 GLN HGx H 1 2.36355 0.00299 A 51 GLN HGy H 1 2.45433 0.0059 A 51 GLN C C 13 179.00256 0.000 A 51 GLN CA C 13 59.1299 0.0334 A 51 GLN CB C 13 28.37007 0.07195 A 51 GLN CG C 13 35.00247 0.06131 A 51 GLN N N 15 117.76746 0.0077 A 51 GLN NE2 N 15 112.81404 0.00308 A 52 VAL H H 1 7.86433 0.00261 A 52 VAL HA H 1 3.56321 0.00287 A 52 VAL HB H 1 2.05681 0.00446 A 52 VAL HGx% H 1 0.9732 0.00631 A 52 VAL HGy% H 1 1.02671 0.00706 A 52 VAL C C 13 179.25193 0.000 A 52 VAL CA C 13 66.53016 0.04492 A 52 VAL CB C 13 31.61547 0.10288 A 52 VAL CGy C 13 22.54993 0.06093 A 52 VAL CGx C 13 22.49934 0.10927 A 52 VAL N N 15 122.14395 0.01544 A 53 PHE H H 1 8.29124 0.00332 A 53 PHE HA H 1 3.7758 0.00461 A 53 PHE HBx H 1 2.79014 0.00337 A 53 PHE HBy H 1 3.13884 0.00385 A 53 PHE HDx H 1 6.58477 0.00627 A 53 PHE HEx H 1 7.13803 0.00408 A 53 PHE HZ H 1 7.26152 0.00198 A 53 PHE C C 13 176.49681 0.000 A 53 PHE CA C 13 61.51698 0.05172 A 53 PHE CB C 13 39.10329 0.05592 A 53 PHE CDx C 13 131.4958 2.6974E-6 A 53 PHE CEx C 13 130.57228 8.52992E-6 A 53 PHE CZ C 13 129.67578 3.8147E-6 A 53 PHE N N 15 122.10437 0.02882 A 54 GLU H H 1 8.61332 0.00437 A 54 GLU HA H 1 3.69031 0.0041 A 54 GLU HBx H 1 2.04088 0.00594 A 54 GLU HBy H 1 2.13804 0.00501 A 54 GLU HGx H 1 2.38535 0.00356 A 54 GLU HGy H 1 2.69535 0.00358 A 54 GLU C C 13 179.45045 0.000 A 54 GLU CA C 13 59.84582 0.0259 A 54 GLU CB C 13 28.96059 0.0534 A 54 GLU CG C 13 36.84591 0.05456 A 54 GLU N N 15 118.75533 0.01484 A 55 ARG H H 1 8.00588 0.00296 A 55 ARG HA H 1 4.00728 0.00453 A 55 ARG HBx H 1 1.88647 3.18735E-4 A 55 ARG HBy H 1 1.95806 0.00262 A 55 ARG HDx H 1 3.14513 0.00169 A 55 ARG HDy H 1 3.20159 0.00184 A 55 ARG HE H 1 7.22364 0.00226 A 55 ARG HGx H 1 1.62733 0.00346 A 55 ARG HGy H 1 1.78354 0.00482 A 55 ARG C C 13 178.90834 0.000 A 55 ARG CA C 13 59.15023 0.04959 A 55 ARG CB C 13 29.84645 0.01367 A 55 ARG CD C 13 43.5813 0.02132 A 55 ARG CG C 13 27.76553 0.07863 A 55 ARG N N 15 119.0235 0.02772 A 55 ARG NE N 15 84.55975 0.01867 A 56 HIS H H 1 7.9214 0.00355 A 56 HIS HA H 1 4.11194 0.00591 A 56 HIS HBx H 1 3.23452 0.00402 A 56 HIS HBy H 1 3.52987 0.00569 A 56 HIS HD2 H 1 6.91659 0.00704 A 56 HIS HE1 H 1 7.94055 0.00438 A 56 HIS C C 13 178.07751 0.000 A 56 HIS CA C 13 60.35683 0.01766 A 56 HIS CB C 13 26.81747 0.08602 A 56 HIS CD2 C 13 127.75251 3.8147E-6 A 56 HIS CE1 C 13 140.13688 0.04162 A 56 HIS N N 15 119.51653 0.00994 A 57 VAL H H 1 8.1308 0.00323 A 57 VAL HA H 1 3.4444 0.00392 A 57 VAL HB H 1 1.99864 0.00241 A 57 VAL HGx% H 1 0.80743 0.00253 A 57 VAL HGy% H 1 1.02345 0.00292 A 57 VAL C C 13 177.84493 0.000 A 57 VAL CA C 13 67.38817 0.05151 A 57 VAL CB C 13 31.74857 0.02876 A 57 VAL CGy C 13 22.24847 0.07039 A 57 VAL CGx C 13 21.81885 0.08836 A 57 VAL N N 15 121.28015 0.01775 A 58 GLN H H 1 7.74464 0.00327 A 58 GLN HA H 1 3.99795 0.00449 A 58 GLN HBx H 1 2.1261 0.00201 A 58 GLN HBy H 1 2.1261 0.00201 A 58 GLN HE2x H 1 6.75171 0.00129 A 58 GLN HE2y H 1 7.58724 0.0052 A 58 GLN HGx H 1 2.47153 0.01108 A 58 GLN HGy H 1 2.49614 0.01081 A 58 GLN C C 13 178.68988 0.000 A 58 GLN CA C 13 57.95103 0.05037 A 58 GLN CB C 13 28.26028 0.02205 A 58 GLN CG C 13 33.66814 0.05779 A 58 GLN N N 15 115.27443 0.01364 A 58 GLN NE2 N 15 112.46942 0.00189 A 59 THR H H 1 7.65791 0.00252 A 59 THR HA H 1 4.07774 0.00314 A 59 THR HB H 1 4.00197 0.00447 A 59 THR HG1 H 1 1.26989 0.00337 A 59 THR C C 13 176.28038 0.000 A 59 THR CA C 13 65.18507 0.06476 A 59 THR CB C 13 69.18625 0.05678 A 59 THR CG2 C 13 21.42485 0.03739 A 59 THR N N 15 112.27113 0.01134 A 60 HIS H H 1 7.22607 0.00242 A 60 HIS HA H 1 4.36231 0.00215 A 60 HIS HBx H 1 2.8459 0.00312 A 60 HIS HBy H 1 2.91705 0.00317 A 60 HIS HD2 H 1 6.77552 0.00525 A 60 HIS HE1 H 1 7.91244 0.00329 A 60 HIS C C 13 175.30742 0.000 A 60 HIS CA C 13 57.05515 0.0094 A 60 HIS CB C 13 28.1858 0.06664 A 60 HIS CE1 C 13 140.27162 0.01788 A 60 HIS N N 15 117.38713 0.00899 A 61 PHE H H 1 7.60145 0.00533 A 61 PHE HA H 1 4.6475 0.00261 A 61 PHE HBx H 1 2.95893 0.003 A 61 PHE HBy H 1 3.30802 0.0044 A 61 PHE HDx H 1 7.28831 0.00246 A 61 PHE HEx H 1 7.22827 0.00153 A 61 PHE HZ H 1 6.77407 0.00221 A 61 PHE C C 13 175.79839 0.000 A 61 PHE CA C 13 57.75091 0.03772 A 61 PHE CB C 13 39.56871 0.0437 A 61 PHE CZ C 13 128.5171 6.87704E-6 A 61 PHE N N 15 118.10504 0.01146 A 62 ASP H H 1 8.02072 0.00354 A 62 ASP HA H 1 4.57731 0.00199 A 62 ASP HBx H 1 2.64012 0.00321 A 62 ASP HBy H 1 2.73596 0.00479 A 62 ASP C C 13 176.53087 0.000 A 62 ASP CA C 13 54.88789 0.01891 A 62 ASP CB C 13 41.20987 0.06891 A 62 ASP N N 15 120.97857 0.00966 A 63 GLN H H 1 8.27383 0.00283 A 63 GLN HA H 1 4.27122 0.00168 A 63 GLN HBx H 1 1.99493 0.00492 A 63 GLN HBy H 1 2.14189 0.00289 A 63 GLN HE2x H 1 6.82114 0.00122 A 63 GLN HE2y H 1 7.48643 0.00185 A 63 GLN HGx H 1 2.3744 0.00381 A 63 GLN HGy H 1 2.3744 0.00381 A 63 GLN C C 13 175.95492 0.000 A 63 GLN CA C 13 56.14722 0.05714 A 63 GLN CB C 13 29.18442 0.02653 A 63 GLN CG C 13 33.84739 0.02169 A 63 GLN N N 15 120.04274 0.01459 A 63 GLN NE2 N 15 112.55676 0.00299 A 64 ASN H H 1 8.40569 0.00227 A 64 ASN HA H 1 4.66762 0.0037 A 64 ASN HBx H 1 2.75537 9.29775E-4 A 64 ASN HBy H 1 2.81803 0.00215 A 64 ASN HD2x H 1 6.88103 0.00142 A 64 ASN HD2y H 1 7.6458 0.00231 A 64 ASN C C 13 175.15899 0.000 A 64 ASN CA C 13 53.64494 0.03634 A 64 ASN CB C 13 38.85467 0.04315 A 64 ASN N N 15 119.1495 0.01464 A 64 ASN ND2 N 15 113.08559 0.00233 A 65 VAL H H 1 7.90431 0.00277 A 65 VAL HA H 1 4.03895 0.00182 A 65 VAL HB H 1 2.0647 0.00185 A 65 VAL HGx% H 1 0.85711 0.00843 A 65 VAL HGy% H 1 0.884 0.00719 A 65 VAL C C 13 175.83463 0.000 A 65 VAL CA C 13 62.52299 0.01605 A 65 VAL CB C 13 32.58395 0.07757 A 65 VAL CGy C 13 21.14591 0.000 A 65 VAL CGx C 13 20.43507 8.92081E-7 A 65 VAL N N 15 119.68407 0.00961 A 66 LEU H H 1 8.11475 0.00521 A 66 LEU HA H 1 4.26743 0.00299 A 66 LEU HBx H 1 1.3814 0.00456 A 66 LEU HBy H 1 1.54489 0.00338 A 66 LEU HDx% H 1 0.80901 0.00495 A 66 LEU HDy% H 1 0.87727 1.49012E-8 A 66 LEU HG H 1 1.54195 0.00392 A 66 LEU C C 13 176.31587 0.000 A 66 LEU CA C 13 54.89876 0.03503 A 66 LEU CB C 13 42.40442 0.0981 A 66 LEU CDx C 13 23.41313 0.00356 A 66 LEU CDy C 13 25.05238 3.37175E-7 A 66 LEU CG C 13 27.04214 0.09675 A 66 LEU N N 15 124.81855 0.01223 A 67 ASN H H 1 8.05651 0.00169 A 67 ASN HA H 1 4.63536 0.00186 A 67 ASN HBx H 1 2.59885 0.00376 A 67 ASN HBy H 1 2.69164 0.00267 A 67 ASN HD2x H 1 6.81515 0.00105 A 67 ASN HD2y H 1 7.51475 8.6145E-4 A 67 ASN C C 13 174.31606 0.000 A 67 ASN CA C 13 52.96448 0.05644 A 67 ASN CB C 13 39.57611 0.06424 A 67 ASN N N 15 119.01186 0.00664 A 67 ASN ND2 N 15 113.07689 0.00497 A 68 PHE H H 1 8.20825 0.00167 A 68 PHE HA H 1 4.65383 5.09738E-4 A 68 PHE HBx H 1 2.90819 0.00227 A 68 PHE HBy H 1 3.22705 6.62312E-4 A 68 PHE HDx H 1 7.23832 8.42937E-8 A 68 PHE C C 13 174.60965 0.000 A 68 PHE CA C 13 57.39657 0.0041 A 68 PHE CB C 13 39.7239 0.01887 A 68 PHE N N 15 121.18706 0.01101 A 69 ASP H H 1 7.9694 0.00178 A 69 ASP HA H 1 4.37476 0.0026 A 69 ASP HBx H 1 2.56352 9.88431E-8 A 69 ASP HBy H 1 2.65793 0.000 A 69 ASP CA C 13 55.82695 0.00215 A 69 ASP CB C 13 42.12595 0.00199 A 69 ASP N N 15 126.61022 0.02059 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 33 HIS HE1 A 13 CYS HBy 1.0 1.8 4.01 2 2 A 33 HIS HE1 A 13 CYS HBx 1.0 1.8 4.01 3 3 A 40 CYS HBy A 60 HIS HE1 1.0 1.8 3.95 4 4 A 60 HIS HE1 A 39 MET HE% 1.0 1.8 5.50 5 5 A 34 TRP HD1 A 46 PRO HDy 1.0 1.8 4.18 6 6 A 60 HIS HE1 A 40 CYS HA 1.0 1.8 3.96 7 7 A 37 CYS H A 43 GLN HA 1.0 1.8 3.98 8 8 A 43 GLN HA A 44 PHE HD% 1.0 1.8 4.18 9 9 A 43 GLN HA A 36 VAL HA 1.0 1.8 3.54 10 10 A 43 GLN HA A 43 GLN HGy 1.0 1.8 4.24 11 11 A 43 GLN HA A 43 GLN HGx 1.0 1.8 4.24 12 12 A 43 GLN HA A 36 VAL HGy% 1.0 1.8 4.01 13 13 A 43 GLN HA A 36 VAL HGx% 1.0 1.8 4.30 14 14 A 9 LYS HA A 10 CYS HBx 1.0 1.8 4.37 15 15 A 9 LYS HA A 16 MET HA 1.0 1.8 3.68 16 16 A 9 LYS HA A 17 PHE HD% 1.0 1.8 4.33 17 17 A 9 LYS HA A 17 PHE H 1.0 1.8 4.42 18 18 A 44 PHE HD% A 44 PHE HA 1.0 1.8 3.94 19 19 A 44 PHE HA A 45 PRO HDx 1.0 1.8 3.43 20 20 A 44 PHE HA A 45 PRO HDy 1.0 1.8 3.24 21 21 A 44 PHE HA A 43 GLN HBy 1.0 1.8 5.17 22 22 A 44 PHE HA A 45 PRO HGx 1.0 1.8 5.50 23 23 A 44 PHE HA A 45 PRO HGy 1.0 1.8 5.50 24 24 A 61 PHE HA A 61 PHE HD% 1.0 1.8 3.56 25 25 A 61 PHE HA A 62 ASP H 1.0 1.8 3.45 26 26 A 5 ASP HA A 6 VAL H 1.0 1.8 3.14 27 27 A 36 VAL HGy% A 38 PRO HA 1.0 1.8 4.16 28 28 A 36 VAL HGx% A 38 PRO HA 1.0 1.8 4.65 29 29 A 18 PRO HA A 19 PRO HDx 1.0 1.8 3.32 30 30 A 18 PRO HA A 19 PRO HDy 1.0 1.8 3.41 31 31 A 62 ASP HA A 63 GLN H 1.0 1.8 3.20 32 32 A 19 PRO HA A 20 ASN HA 1.0 1.8 4.25 33 33 A 39 MET HA A 39 MET HGx 1.0 1.8 3.77 34 34 A 39 MET HA A 39 MET HGy 1.0 1.8 3.77 35 35 A 17 PHE HA A 18 PRO HDx 1.0 1.8 3.49 36 36 A 17 PHE HA A 18 PRO HDy 1.0 1.8 3.33 37 37 A 17 PHE HD% A 17 PHE HA 1.0 1.8 3.83 38 38 A 4 MET HA A 4 MET HE% 1.0 1.8 3.88 39 39 A 4 MET HA A 4 MET HGx 1.0 1.8 3.89 40 40 A 4 MET HA A 4 MET HGy 1.0 1.8 3.89 41 41 A 12 LEU HA A 12 LEU HG 1.0 1.8 4.13 42 42 A 60 HIS HA A 60 HIS HD2 1.0 1.8 4.28 43 43 A 35 LYS HA A 36 VAL HB 1.0 1.8 4.15 44 44 A 35 LYS HA A 35 LYS HDx 1.0 1.8 4.60 45 45 A 35 LYS HA A 35 LYS HDy 1.0 1.8 4.60 46 46 A 8 LYS HA A 8 LYS HGy 1.0 1.8 4.00 47 47 A 8 LYS HA A 8 LYS HGx 1.0 1.8 4.00 48 48 A 8 LYS HA A 9 LYS H 1.0 1.8 3.01 49 49 A 49 ASP HA A 51 GLN H 1.0 1.8 4.07 50 50 A 22 ASP HA A 23 GLN HBx 1.0 1.8 4.06 51 51 A 66 LEU HA A 66 LEU HDx% 1.0 1.8 3.95 52 52 A 62 ASP HBy A 63 GLN HA 1.0 1.8 4.36 53 53 A 63 GLN HA A 64 ASN H 1.0 1.8 3.52 54 54 A 40 CYS H A 41 SER HA 1.0 1.8 4.24 55 55 A 36 VAL HGy% A 41 SER HA 1.0 1.8 3.53 56 56 A 23 GLN HBy A 24 SER HA 1.0 1.8 4.02 57 57 A 9 LYS HBy A 14 GLU HA 1.0 1.8 4.23 58 58 A 10 CYS HBx A 14 GLU HA 1.0 1.8 5.44 59 59 A 25 LYS HA A 25 LYS HDx 1.0 1.8 4.45 60 60 A 25 LYS HA A 28 GLU HGy 1.0 1.8 3.64 61 61 A 48 TYR HA A 48 TYR HE% 1.0 1.8 4.40 62 62 A 48 TYR HA A 48 TYR HD% 1.0 1.8 3.23 63 63 A 21 TYR HA A 22 ASP H 1.0 1.8 3.01 64 64 A 48 TYR HA A 49 ASP H 1.0 1.8 2.93 65 65 A 51 GLN HA A 54 GLU HBx 1.0 1.8 3.67 66 66 A 51 GLN HA A 51 GLN HGy 1.0 1.8 3.96 67 67 A 51 GLN HA A 51 GLN HGx 1.0 1.8 3.96 68 68 A 56 HIS HA A 59 THR HG21 1.0 1.8 3.38 69 69 A 29 HIS HA A 32 SER HBy 1.0 1.8 4.60 70 70 A 29 HIS HA A 32 SER HBx 1.0 1.8 4.60 71 71 A 56 HIS HA A 59 THR H 1.0 1.8 4.18 72 72 A 6 VAL HA A 6 VAL HGy% 1.0 1.8 3.73 73 73 A 6 VAL HA A 6 VAL HGx% 1.0 1.8 3.73 74 74 A 59 THR HG21 A 59 THR HA 1.0 1.8 3.21 75 75 A 59 THR HA A 62 ASP HBx 1.0 1.8 4.11 76 76 A 65 VAL HA A 65 VAL HGy% 1.0 1.8 4.08 77 77 A 65 VAL HA A 65 VAL HGx% 1.0 1.8 4.08 78 78 A 26 PHE HA A 29 HIS HBx 1.0 1.8 4.09 79 79 A 26 PHE HA A 21 TYR HD% 1.0 1.8 4.05 80 80 A 26 PHE HA A 26 PHE HD% 1.0 1.8 3.60 81 81 A 48 TYR HD% A 53 PHE HA 1.0 1.8 4.10 82 82 A 53 PHE HA A 53 PHE HD% 1.0 1.8 3.41 83 83 A 53 PHE HA A 56 HIS HBy 1.0 1.8 4.01 84 84 A 53 PHE HA A 56 HIS HBx 1.0 1.8 4.01 85 85 A 45 PRO HA A 46 PRO HDx 1.0 1.8 3.29 86 86 A 46 PRO HDy A 45 PRO HA 1.0 1.8 3.37 87 87 A 52 VAL HA A 55 ARG HBx 1.0 1.8 3.82 88 88 A 57 VAL HA A 57 VAL HGy% 1.0 1.8 3.23 89 89 A 57 VAL HA A 57 VAL HGx% 1.0 1.8 3.39 90 90 A 57 VAL HA A 56 HIS HD2 1.0 1.8 3.57 91 91 A 34 TRP HD1 A 30 VAL HA 1.0 1.8 4.34 92 92 A 30 VAL HA A 29 HIS HD2 1.0 1.8 4.20 93 93 A 30 VAL HA A 33 HIS HD2 1.0 1.8 3.42 94 94 A 30 VAL HA A 30 VAL HGx% 1.0 1.8 3.47 95 95 A 57 VAL HGy% A 54 GLU HA 1.0 1.8 3.70 96 96 A 57 VAL HGx% A 54 GLU HA 1.0 1.8 4.20 97 97 A 27 GLU HA A 30 VAL HB 1.0 1.8 3.65 98 98 A 54 GLU HA A 54 GLU HGy 1.0 1.8 3.71 99 99 A 54 GLU HA A 54 GLU HGx 1.0 1.8 3.71 100 100 A 27 GLU HA A 31 GLU H 1.0 1.8 4.26 101 101 A 27 GLU HA A 27 GLU HGx 1.0 1.8 3.83 102 102 A 27 GLU HA A 27 GLU HGy 1.0 1.8 3.83 103 103 A 30 VAL HGx% A 27 GLU HA 1.0 1.8 4.17 104 104 A 27 GLU HA A 30 VAL HGy% 1.0 1.8 3.76 105 105 A 31 GLU HA A 31 GLU HGx 1.0 1.8 4.07 106 106 A 31 GLU HA A 31 GLU HGy 1.0 1.8 4.07 107 107 A 34 TRP HD1 A 31 GLU HA 1.0 1.8 3.95 108 108 A 15 LEU HA A 16 MET H 1.0 1.8 3.04 109 109 A 15 LEU HA A 15 LEU HG 1.0 1.8 3.71 110 110 A 42 GLU HA A 42 GLU HGy 1.0 1.8 4.08 111 111 A 42 GLU HA A 42 GLU HGx 1.0 1.8 3.47 112 112 A 42 GLU HA A 43 GLN HGy 1.0 1.8 4.42 113 113 A 42 GLU HA A 43 GLN HGx 1.0 1.8 4.42 114 114 A 43 GLN HA A 42 GLU HA 1.0 1.8 4.32 115 115 A 42 GLU HA A 43 GLN H 1.0 1.8 2.83 116 116 A 29 HIS HA A 28 GLU HA 1.0 1.8 3.98 117 117 A 28 GLU HA A 28 GLU HGx 1.0 1.8 3.83 118 118 A 57 VAL HGx% A 58 GLN HA 1.0 1.8 4.03 119 119 A 58 GLN HA A 58 GLN HGx 1.0 1.8 3.78 120 120 A 58 GLN HA A 61 PHE HBy 1.0 1.8 4.45 121 121 A 58 GLN HA A 61 PHE HE% 1.0 1.8 5.02 122 122 A 61 PHE HD% A 58 GLN HA 1.0 1.8 3.61 123 123 A 55 ARG HA A 55 ARG HGx 1.0 1.8 3.91 124 124 A 55 ARG HA A 58 GLN HBx 1.0 1.8 3.35 125 125 A 55 ARG HA A 55 ARG HGy 1.0 1.8 3.91 126 126 A 23 GLN HA A 26 PHE HBy 1.0 1.8 3.70 127 127 A 23 GLN HA A 26 PHE HBx 1.0 1.8 3.70 128 128 A 50 GLN HA A 53 PHE HBy 1.0 1.8 3.57 129 129 A 53 PHE HD% A 50 GLN HA 1.0 1.8 3.76 130 130 A 50 GLN HA A 54 GLU H 1.0 1.8 4.16 131 131 A 50 GLN HA A 53 PHE H 1.0 1.8 3.98 132 132 A 26 PHE HD% A 23 GLN HA 1.0 1.8 4.30 133 133 A 10 CYS HA A 11 PRO HDy 1.0 1.8 3.96 134 134 A 30 VAL HGy% A 11 PRO HDy 1.0 1.8 4.10 135 135 A 30 VAL HGx% A 11 PRO HDx 1.0 1.8 4.22 136 136 A 38 PRO HDy A 53 PHE HZ 1.0 1.8 4.51 137 137 A 37 CYS HA A 38 PRO HDx 1.0 1.8 3.78 138 138 A 38 PRO HDy A 37 CYS HA 1.0 1.8 3.89 139 139 A 45 PRO HDx A 44 PHE HBy 1.0 1.8 4.07 140 140 A 18 PRO HDx A 21 TYR HD% 1.0 1.8 5.02 141 141 A 45 PRO HDx A 48 TYR HD% 1.0 1.8 4.28 142 142 A 44 PHE HD% A 45 PRO HDy 1.0 1.8 4.48 143 143 A 45 PRO HDy A 44 PHE HBx 1.0 1.8 4.88 144 144 A 45 PRO HDx A 44 PHE HBx 1.0 1.8 4.61 145 145 A 49 ASP HBx A 52 VAL HB 1.0 1.8 4.09 146 146 A 15 LEU HBx A 15 LEU HDy% 1.0 1.8 3.92 147 147 A 15 LEU HA A 15 LEU HDy% 1.0 1.8 3.87 148 148 A 16 MET H A 15 LEU HDy% 1.0 1.8 4.28 149 149 A 29 HIS HE1 A 15 LEU HDy% 1.0 1.8 3.88 150 150 A 12 LEU HDx% A 46 PRO HGy 1.0 1.8 5.68 151 151 A 30 VAL HGx% A 12 LEU HDx% 1.0 1.8 3.20 152 152 A 66 LEU HA A 66 LEU HDy% 1.0 1.8 3.95 153 153 A 44 PHE HZ A 56 HIS HE1 1.0 1.8 4.36 154 154 A 30 VAL HA A 33 HIS HBx 1.0 1.8 4.43 155 155 A 50 GLN HA A 53 PHE HBx 1.0 1.8 4.33 156 156 A 28 GLU HGy A 28 GLU H 1.0 1.8 4.25 157 157 A 28 GLU HGx A 27 GLU H 1.0 1.8 4.80 158 158 A 28 GLU HGy A 28 GLU HA 1.0 1.8 4.10 159 159 A 43 GLN H A 43 GLN HGy 1.0 1.8 4.33 160 160 A 36 VAL HGy% A 43 GLN HGx 1.0 1.8 4.52 161 161 A 36 VAL HGx% A 43 GLN HGx 1.0 1.8 4.90 162 162 A 36 VAL HGy% A 43 GLN HGy 1.0 1.8 4.52 163 163 A 36 VAL HGx% A 43 GLN HGy 1.0 1.8 4.90 164 164 A 58 GLN H A 58 GLN HGy 1.0 1.8 4.34 165 165 A 39 MET H A 39 MET HGy 1.0 1.8 4.35 166 166 A 39 MET H A 39 MET HGx 1.0 1.8 4.35 167 167 A 50 GLN H A 50 GLN HGx 1.0 1.8 4.72 168 168 A 50 GLN H A 50 GLN HGy 1.0 1.8 4.72 169 169 A 24 SER H A 23 GLN HGy 1.0 1.8 5.11 170 170 A 24 SER H A 23 GLN HGx 1.0 1.8 5.11 171 171 A 51 GLN H A 50 GLN HGy 1.0 1.8 5.13 172 172 A 51 GLN H A 50 GLN HGx 1.0 1.8 5.13 173 173 A 16 MET H A 16 MET HGx 1.0 1.8 4.28 174 174 A 16 MET H A 16 MET HGy 1.0 1.8 4.28 175 175 A 40 CYS HBy A 41 SER H 1.0 1.8 3.66 176 176 A 19 PRO HDy A 18 PRO HBx 1.0 1.8 4.66 177 177 A 19 PRO HDx A 18 PRO HBx 1.0 1.8 4.33 178 178 A 40 CYS HBy A 42 GLU HBy 1.0 1.8 4.15 179 179 A 12 LEU HA A 46 PRO HBy 1.0 1.8 4.86 180 180 A 16 MET HA A 16 MET HGx 1.0 1.8 4.18 181 181 A 16 MET HA A 16 MET HGy 1.0 1.8 4.18 182 182 A 52 VAL HB A 49 ASP HBy 1.0 1.8 4.31 183 183 A 43 GLN HBy A 43 GLN H 1.0 1.8 4.01 184 184 A 14 GLU H A 13 CYS HBy 1.0 1.8 4.28 185 185 A 19 PRO HDy A 18 PRO HBy 1.0 1.8 4.13 186 186 A 46 PRO HDy A 45 PRO HBy 1.0 1.8 4.06 187 187 A 46 PRO HDy A 45 PRO HBx 1.0 1.8 3.97 188 188 A 46 PRO HDx A 45 PRO HBy 1.0 1.8 4.12 189 189 A 46 PRO HDx A 45 PRO HBx 1.0 1.8 4.22 190 190 A 28 GLU H A 28 GLU HBy 1.0 1.8 3.78 191 191 A 59 THR HA A 58 GLN HBy 1.0 1.8 4.48 192 192 A 59 THR HA A 58 GLN HBx 1.0 1.8 4.91 193 193 A 12 LEU HBy A 46 PRO HA 1.0 1.8 5.40 194 194 A 54 GLU HA A 57 VAL HB 1.0 1.8 4.19 195 195 A 51 GLN H A 50 GLN HBx 1.0 1.8 3.98 196 196 A 12 LEU HG A 11 PRO HGx 1.0 1.8 4.74 197 197 A 30 VAL HGx% A 11 PRO HGy 1.0 1.8 4.46 198 198 A 57 VAL HGx% A 38 PRO HGx 1.0 1.8 4.70 199 199 A 11 PRO HGx A 12 LEU HDx% 1.0 1.8 4.61 200 200 A 12 LEU HG A 46 PRO HBy 1.0 1.8 4.52 201 201 A 12 LEU HG A 30 VAL HGx% 1.0 1.8 5.50 202 202 A 34 TRP HE1 A 12 LEU HDy% 1.0 1.8 4.36 203 203 A 12 LEU HDy% A 46 PRO HGy 1.0 1.8 5.68 204 204 A 61 PHE HD% A 57 VAL HGx% 1.0 1.8 3.49 205 205 A 59 THR HG21 A 60 HIS H 1.0 1.8 4.11 206 206 A 30 VAL HGx% A 31 GLU H 1.0 1.8 4.12 207 207 A 57 VAL HGx% A 58 GLN H 1.0 1.8 4.01 208 208 A 57 VAL HGx% A 57 VAL H 1.0 1.8 4.10 209 209 A 57 VAL HGx% A 38 PRO HDx 1.0 1.8 3.87 210 210 A 25 LYS HA A 25 LYS HDy 1.0 1.8 4.45 211 211 A 22 ASP HBy A 25 LYS HGy 1.0 1.8 4.52 212 212 A 22 ASP HBy A 25 LYS HGx 1.0 1.8 4.52 213 213 A 30 VAL HA A 30 VAL HGy% 1.0 1.8 3.32 214 214 A 57 VAL HGy% A 38 PRO HDy 1.0 1.8 3.82 215 215 A 30 VAL HGy% A 11 PRO HDx 1.0 1.8 3.49 216 216 A 57 VAL HGy% A 37 CYS HA 1.0 1.8 3.93 217 217 A 30 VAL HGy% A 26 PHE HZ 1.0 1.8 3.89 218 218 A 57 VAL HGy% A 53 PHE HZ 1.0 1.8 4.12 219 219 A 30 VAL HGy% A 26 PHE HE% 1.0 1.8 3.54 220 220 A 57 VAL HGy% A 53 PHE HE% 1.0 1.8 3.83 221 221 A 60 HIS HD2 A 57 VAL HGy% 1.0 1.8 4.40 222 222 A 53 PHE HD% A 57 VAL HGy% 1.0 1.8 3.99 223 223 A 57 VAL HGy% A 58 GLN H 1.0 1.8 3.81 224 224 A 31 GLU H A 30 VAL HGy% 1.0 1.8 4.25 225 225 A 57 VAL HGy% A 56 HIS H 1.0 1.8 4.62 226 226 A 30 VAL HGx% A 31 GLU HA 1.0 1.8 3.93 227 227 A 57 VAL HGx% A 58 GLN HE2x 1.0 1.8 4.45 228 228 A 60 HIS HD2 A 57 VAL HGx% 1.0 1.8 4.64 229 229 A 31 GLU HA A 34 TRP HBx 1.0 1.8 4.44 230 230 A 34 TRP HA A 44 PHE H 1.0 1.8 4.48 231 231 A 36 VAL HA A 36 VAL HGy% 1.0 1.8 3.30 232 232 A 36 VAL HA A 36 VAL HGx% 1.0 1.8 3.67 233 233 A 26 PHE HE% A 10 CYS HBy 1.0 1.8 5.50 234 234 A 30 VAL HGx% A 11 PRO HDy 1.0 1.8 4.52 235 235 A 42 GLU HGy A 42 GLU H 1.0 1.8 4.48 236 236 A 9 LYS HBx A 9 LYS HEx 1.0 1.8 5.19 237 237 A 9 LYS HBx A 9 LYS HEy 1.0 1.8 5.19 238 238 A 9 LYS HBy A 9 LYS HEy 1.0 1.8 5.32 239 239 A 9 LYS HBy A 9 LYS HEx 1.0 1.8 5.32 240 240 A 45 PRO HDy A 48 TYR HBx 1.0 1.8 4.75 241 241 A 45 PRO HDx A 48 TYR HBx 1.0 1.8 4.43 242 242 A 46 PRO HA A 33 HIS HBy 1.0 1.8 4.58 243 243 A 46 PRO HA A 48 TYR H 1.0 1.8 4.68 244 244 A 46 PRO HDy A 34 TRP H 1.0 1.8 4.63 245 245 A 34 TRP HD1 A 30 VAL HGx% 1.0 1.8 4.66 246 246 A 46 PRO HBx A 47 ASP HA 1.0 1.8 4.75 247 247 A 22 ASP HA A 23 GLN HA 1.0 1.8 4.83 248 248 A 49 ASP HA A 50 GLN HA 1.0 1.8 5.19 249 249 A 49 ASP HBx A 52 VAL HGy% 1.0 1.8 4.21 250 250 A 52 VAL HA A 52 VAL HGy% 1.0 1.8 3.29 251 251 A 53 PHE HD% A 54 GLU HA 1.0 1.8 4.57 252 252 A 54 GLU HA A 58 GLN H 1.0 1.8 4.50 253 253 A 29 HIS HA A 30 VAL HGy% 1.0 1.8 5.27 254 254 A 56 HIS HA A 57 VAL HGy% 1.0 1.8 5.50 255 255 A 58 GLN HGx A 57 VAL HB 1.0 1.8 3.94 256 256 A 64 ASN H A 64 ASN HBy 1.0 1.8 4.10 257 257 A 34 TRP HD1 A 46 PRO HDx 1.0 1.8 4.67 258 258 A 44 PHE HD% A 53 PHE HE% 1.0 1.8 4.73 259 259 A 6 VAL HA A 7 HIS HA 1.0 1.8 4.19 260 260 A 11 PRO HGx A 12 LEU HDy% 1.0 1.8 4.61 261 261 A 13 CYS H A 12 LEU HDx% 1.0 1.8 5.37 262 262 A 14 GLU HA A 9 LYS HBx 1.0 1.8 4.29 263 263 A 15 LEU H A 15 LEU HDx% 1.0 1.8 4.39 264 264 A 15 LEU H A 15 LEU HDy% 1.0 1.8 4.39 265 265 A 17 PHE HE% A 15 LEU HDy% 1.0 1.8 4.50 266 266 A 18 PRO HDy A 21 TYR HD% 1.0 1.8 4.62 267 267 A 19 PRO HDx A 18 PRO HGx 1.0 1.8 4.70 268 267 A 19 PRO HDx A 18 PRO HGy 1.0 1.8 4.70 269 268 A 21 TYR HBy A 18 PRO HGx 1.0 1.8 5.08 270 268 A 18 PRO HGy A 21 TYR HBy 1.0 1.8 5.08 271 269 A 18 PRO HA A 19 PRO HA 1.0 1.8 4.72 272 270 A 19 PRO HDx A 18 PRO HBy 1.0 1.8 4.49 273 271 A 22 ASP HBx A 25 LYS HBy 1.0 1.8 4.37 274 272 A 22 ASP HBy A 25 LYS HBy 1.0 1.8 4.49 275 273 A 24 SER HA A 28 GLU HGx 1.0 1.8 5.50 276 274 A 24 SER HA A 27 GLU HBx 1.0 1.8 4.36 277 275 A 26 PHE HA A 29 HIS HBy 1.0 1.8 4.09 278 276 A 26 PHE HD% A 27 GLU HA 1.0 1.8 4.43 279 277 A 29 HIS HA A 30 VAL HA 1.0 1.8 4.85 280 278 A 33 HIS HD2 A 33 HIS HA 1.0 1.8 4.60 281 279 A 34 TRP HA A 34 TRP HE3 1.0 1.8 4.60 282 280 A 44 PHE HBy A 34 TRP HA 1.0 1.8 5.50 283 281 A 46 PRO HDx A 34 TRP HA 1.0 1.8 5.50 284 282 A 39 MET HE% A 39 MET HA 1.0 1.8 4.31 285 283 A 40 CYS HA A 42 GLU H 1.0 1.8 4.36 286 284 A 42 GLU HA A 43 GLN HBx 1.0 1.8 3.80 287 285 A 43 GLN HA A 35 LYS HA 1.0 1.8 4.38 288 286 A 43 GLN HA A 44 PHE HBx 1.0 1.8 4.45 289 287 A 45 PRO HA A 34 TRP HA 1.0 1.8 4.57 290 288 A 45 PRO HDy A 44 PHE HBy 1.0 1.8 4.17 291 289 A 45 PRO HDy A 48 TYR HD% 1.0 1.8 4.46 292 290 A 45 PRO HDx A 48 TYR H 1.0 1.8 4.58 293 291 A 45 PRO HA A 46 PRO HA 1.0 1.8 4.63 294 292 A 48 TYR HA A 47 ASP HA 1.0 1.8 4.88 295 293 A 46 PRO HA A 47 ASP HA 1.0 1.8 5.31 296 294 A 48 TYR HE% A 52 VAL HGy% 1.0 1.8 4.43 297 295 A 53 PHE HA A 57 VAL HGy% 1.0 1.8 4.47 298 296 A 53 PHE HA A 52 VAL HB 1.0 1.8 4.54 299 297 A 48 TYR HD% A 53 PHE HBx 1.0 1.8 3.97 300 298 A 48 TYR HD% A 53 PHE HBy 1.0 1.8 4.32 301 299 A 57 VAL HA A 38 PRO HDx 1.0 1.8 4.50 302 300 A 30 VAL HGy% A 10 CYS HA 1.0 1.8 4.01 303 301 A 57 VAL HGy% A 38 PRO HDx 1.0 1.8 3.89 304 302 A 30 VAL HGx% A 11 PRO HGx 1.0 1.8 4.08 305 303 A 57 VAL HGx% A 38 PRO HGy 1.0 1.8 4.70 306 304 A 57 VAL HGx% A 38 PRO HDy 1.0 1.8 4.04 307 305 A 58 GLN HA A 61 PHE HBx 1.0 1.8 4.45 308 306 A 62 ASP HBy A 59 THR HA 1.0 1.8 4.47 309 307 A 59 THR HG21 A 58 GLN HBx 1.0 1.8 5.33 310 308 A 59 THR HG21 A 58 GLN HBy 1.0 1.8 5.50 311 309 A 62 ASP H A 63 GLN HA 1.0 1.8 4.41 312 310 A 38 PRO HA A 40 CYS H 1.0 1.8 4.53 313 311 A 9 LYS HBx A 11 PRO HA 1.0 1.8 4.42 314 312 A 6 VAL H A 5 ASP H 1.0 1.8 4.19 315 313 A 4 MET HA A 5 ASP H 1.0 1.8 3.06 316 314 A 5 ASP H A 5 ASP HBy 1.0 1.8 3.93 317 315 A 6 VAL H A 8 LYS H 1.0 1.8 4.30 318 316 A 6 VAL H A 7 HIS HA 1.0 1.8 3.86 319 317 A 6 VAL H A 5 ASP HBx 1.0 1.8 4.34 320 318 A 6 VAL H A 5 ASP HBy 1.0 1.8 4.34 321 319 A 7 HIS H A 6 VAL HGy% 1.0 1.8 5.06 322 320 A 7 HIS H A 6 VAL HGx% 1.0 1.8 5.06 323 321 A 7 HIS H A 6 VAL HB 1.0 1.8 4.40 324 322 A 7 HIS H A 7 HIS HBx 1.0 1.8 4.01 325 323 A 6 VAL HA A 7 HIS H 1.0 1.8 3.22 326 324 A 17 PHE H A 8 LYS H 1.0 1.8 4.65 327 325 A 7 HIS HA A 8 LYS H 1.0 1.8 3.04 328 326 A 8 LYS H A 7 HIS HBy 1.0 1.8 4.23 329 327 A 8 LYS H A 7 HIS HBx 1.0 1.8 4.23 330 328 A 8 LYS H A 8 LYS HBx 1.0 1.8 3.94 331 329 A 8 LYS H A 8 LYS HBy 1.0 1.8 3.94 332 330 A 9 LYS H A 8 LYS HBx 1.0 1.8 4.69 333 331 A 9 LYS H A 8 LYS HBy 1.0 1.8 4.69 334 332 A 9 LYS H A 10 CYS H 1.0 1.8 4.39 335 333 A 9 LYS HA A 10 CYS H 1.0 1.8 3.46 336 334 A 16 MET HA A 10 CYS H 1.0 1.8 4.42 337 335 A 13 CYS H A 12 LEU H 1.0 1.8 3.56 338 336 A 14 GLU H A 15 LEU H 1.0 1.8 4.06 339 337 A 14 GLU H A 13 CYS H 1.0 1.8 3.63 340 338 A 14 GLU H A 10 CYS HBy 1.0 1.8 4.51 341 339 A 14 GLU H A 13 CYS HBx 1.0 1.8 4.28 342 340 A 14 GLU H A 14 GLU HGy 1.0 1.8 4.47 343 341 A 16 MET H A 15 LEU H 1.0 1.8 4.69 344 342 A 16 MET HA A 17 PHE H 1.0 1.8 3.37 345 343 A 17 PHE HD% A 17 PHE H 1.0 1.8 3.96 346 344 A 19 PRO HGy A 20 ASN H 1.0 1.8 5.50 347 345 A 20 ASN H A 21 TYR H 1.0 1.8 3.48 348 346 A 22 ASP H A 21 TYR H 1.0 1.8 4.22 349 347 A 21 TYR H A 21 TYR HBx 1.0 1.8 3.78 350 348 A 22 ASP H A 22 ASP HBx 1.0 1.8 3.52 351 349 A 22 ASP H A 22 ASP HBy 1.0 1.8 3.63 352 350 A 24 SER H A 23 GLN H 1.0 1.8 3.26 353 351 A 22 ASP H A 23 GLN H 1.0 1.8 4.21 354 352 A 22 ASP HA A 23 GLN H 1.0 1.8 2.83 355 353 A 22 ASP HBy A 23 GLN H 1.0 1.8 3.66 356 354 A 23 GLN HBy A 23 GLN H 1.0 1.8 3.46 357 355 A 23 GLN HBx A 24 SER H 1.0 1.8 3.90 358 356 A 24 SER H A 22 ASP HBx 1.0 1.8 4.67 359 357 A 24 SER H A 25 LYS HBx 1.0 1.8 4.55 360 358 A 24 SER H A 25 LYS H 1.0 1.8 3.17 361 359 A 23 GLN H A 25 LYS H 1.0 1.8 4.55 362 360 A 25 LYS H A 24 SER HBx 1.0 1.8 4.57 363 361 A 25 LYS H A 24 SER HBy 1.0 1.8 4.57 364 362 A 22 ASP HBx A 25 LYS H 1.0 1.8 4.36 365 363 A 25 LYS HBy A 25 LYS H 1.0 1.8 3.72 366 364 A 23 GLN HBx A 25 LYS H 1.0 1.8 5.30 367 365 A 25 LYS H A 25 LYS HGy 1.0 1.8 4.30 368 366 A 25 LYS H A 25 LYS HGx 1.0 1.8 4.30 369 367 A 25 LYS HBy A 26 PHE H 1.0 1.8 4.18 370 368 A 25 LYS HBx A 26 PHE H 1.0 1.8 4.27 371 369 A 26 PHE H A 26 PHE HBx 1.0 1.8 3.52 372 370 A 23 GLN HA A 26 PHE H 1.0 1.8 3.83 373 371 A 24 SER HA A 26 PHE H 1.0 1.8 4.91 374 372 A 26 PHE H A 21 TYR HE% 1.0 1.8 4.68 375 373 A 25 LYS H A 26 PHE H 1.0 1.8 3.29 376 374 A 28 GLU H A 26 PHE H 1.0 1.8 3.95 377 375 A 27 GLU H A 26 PHE H 1.0 1.8 3.29 378 376 A 27 GLU H A 29 HIS H 1.0 1.8 4.23 379 377 A 27 GLU H A 30 VAL H 1.0 1.8 4.41 380 378 A 24 SER HA A 27 GLU H 1.0 1.8 4.44 381 379 A 23 GLN HA A 27 GLU H 1.0 1.8 4.90 382 380 A 27 GLU H A 26 PHE HBx 1.0 1.8 3.77 383 381 A 27 GLU H A 27 GLU HGx 1.0 1.8 3.71 384 382 A 27 GLU H A 26 PHE HBy 1.0 1.8 3.77 385 383 A 27 GLU H A 27 GLU HBy 1.0 1.8 3.60 386 384 A 55 ARG H A 55 ARG HBy 1.0 1.8 3.72 387 385 A 54 GLU HBx A 55 ARG H 1.0 1.8 2.99 388 386 A 28 GLU H A 28 GLU HBx 1.0 1.8 3.78 389 387 A 53 PHE HA A 55 ARG H 1.0 1.8 4.96 390 388 A 24 SER HA A 28 GLU H 1.0 1.8 4.99 391 389 A 28 GLU H A 30 VAL H 1.0 1.8 4.03 392 390 A 28 GLU H A 27 GLU H 1.0 1.8 3.31 393 391 A 26 PHE H A 29 HIS H 1.0 1.8 4.64 394 392 A 29 HIS H A 30 VAL H 1.0 1.8 3.30 395 393 A 29 HIS H A 29 HIS HBx 1.0 1.8 3.37 396 394 A 29 HIS H A 29 HIS HBy 1.0 1.8 3.37 397 395 A 26 PHE HA A 29 HIS H 1.0 1.8 3.80 398 396 A 29 HIS H A 28 GLU HBy 1.0 1.8 4.15 399 397 A 29 HIS H A 28 GLU HBx 1.0 1.8 4.15 400 398 A 30 VAL HB A 29 HIS H 1.0 1.8 4.91 401 399 A 30 VAL H A 29 HIS HBy 1.0 1.8 4.17 402 400 A 30 VAL H A 29 HIS HBx 1.0 1.8 4.17 403 401 A 26 PHE HA A 30 VAL H 1.0 1.8 4.69 404 402 A 29 HIS HD2 A 30 VAL H 1.0 1.8 4.74 405 403 A 30 VAL H A 33 HIS H 1.0 1.8 5.08 406 404 A 30 VAL H A 32 SER H 1.0 1.8 4.37 407 405 A 31 GLU H A 29 HIS H 1.0 1.8 4.24 408 406 A 31 GLU H A 33 HIS H 1.0 1.8 4.32 409 407 A 31 GLU H A 28 GLU HA 1.0 1.8 4.14 410 408 A 30 VAL HB A 31 GLU H 1.0 1.8 3.39 411 409 A 31 GLU H A 31 GLU HGx 1.0 1.8 3.63 412 410 A 31 GLU H A 27 GLU HBy 1.0 1.8 4.91 413 411 A 32 SER H A 32 SER HBx 1.0 1.8 3.73 414 412 A 32 SER H A 32 SER HBy 1.0 1.8 3.73 415 413 A 29 HIS HA A 32 SER H 1.0 1.8 4.14 416 414 A 30 VAL HA A 32 SER H 1.0 1.8 4.69 417 415 A 33 HIS HBy A 33 HIS H 1.0 1.8 3.63 418 416 A 33 HIS HBx A 33 HIS H 1.0 1.8 3.51 419 417 A 34 TRP HBx A 33 HIS H 1.0 1.8 5.07 420 418 A 34 TRP HA A 33 HIS H 1.0 1.8 5.39 421 419 A 33 HIS H A 32 SER H 1.0 1.8 3.39 422 420 A 34 TRP H A 35 LYS H 1.0 1.8 4.22 423 421 A 34 TRP H A 32 SER H 1.0 1.8 4.22 424 422 A 34 TRP H A 33 HIS H 1.0 1.8 3.23 425 423 A 34 TRP H A 32 SER HA 1.0 1.8 4.45 426 424 A 31 GLU HA A 34 TRP H 1.0 1.8 4.75 427 425 A 34 TRP HBx A 34 TRP H 1.0 1.8 3.33 428 426 A 33 HIS HBy A 34 TRP H 1.0 1.8 3.63 429 427 A 34 TRP HE1 A 34 TRP H 1.0 1.8 4.64 430 428 A 46 PRO HDy A 34 TRP HE1 1.0 1.8 4.38 431 429 A 34 TRP HA A 35 LYS H 1.0 1.8 3.09 432 430 A 46 PRO HA A 35 LYS H 1.0 1.8 4.65 433 431 A 35 LYS H A 34 TRP HBy 1.0 1.8 3.74 434 432 A 35 LYS H A 35 LYS HBy 1.0 1.8 4.07 435 433 A 35 LYS H A 35 LYS HGx 1.0 1.8 4.66 436 434 A 36 VAL H A 35 LYS HDx 1.0 1.8 5.50 437 435 A 36 VAL H A 35 LYS HDy 1.0 1.8 5.50 438 436 A 53 PHE H A 52 VAL HGy% 1.0 1.8 4.10 439 437 A 35 LYS HA A 36 VAL H 1.0 1.8 2.90 440 438 A 53 PHE HE% A 36 VAL H 1.0 1.8 4.79 441 439 A 35 LYS H A 36 VAL H 1.0 1.8 4.01 442 440 A 37 CYS H A 36 VAL H 1.0 1.8 4.54 443 441 A 37 CYS H A 41 SER H 1.0 1.8 4.74 444 442 A 37 CYS H A 44 PHE HD% 1.0 1.8 4.77 445 443 A 37 CYS H A 56 HIS HD2 1.0 1.8 5.50 446 444 A 39 MET H A 38 PRO HGy 1.0 1.8 4.67 447 445 A 38 PRO HDx A 39 MET H 1.0 1.8 4.15 448 446 A 37 CYS H A 40 CYS H 1.0 1.8 4.33 449 447 A 40 CYS H A 39 MET H 1.0 1.8 3.11 450 448 A 40 CYS H A 41 SER H 1.0 1.8 2.95 451 449 A 40 CYS HBy A 40 CYS H 1.0 1.8 4.12 452 450 A 40 CYS H A 39 MET HBy 1.0 1.8 4.21 453 451 A 36 VAL HGy% A 41 SER H 1.0 1.8 4.13 454 452 A 41 SER H A 40 CYS HBx 1.0 1.8 4.26 455 453 A 41 SER H A 41 SER HBy 1.0 1.8 3.92 456 454 A 41 SER H A 41 SER HBx 1.0 1.8 3.92 457 455 A 38 PRO HDx A 41 SER H 1.0 1.8 5.20 458 456 A 39 MET H A 41 SER H 1.0 1.8 3.94 459 457 A 37 CYS H A 42 GLU H 1.0 1.8 4.23 460 458 A 43 GLN H A 42 GLU H 1.0 1.8 3.70 461 459 A 41 SER H A 42 GLU H 1.0 1.8 3.47 462 460 A 42 GLU H A 37 CYS HBx 1.0 1.8 4.01 463 461 A 42 GLU HBy A 42 GLU H 1.0 1.8 3.34 464 462 A 43 GLN H A 42 GLU HBx 1.0 1.8 4.73 465 463 A 42 GLU HGx A 43 GLN H 1.0 1.8 3.50 466 464 A 43 GLN H A 43 GLN HBx 1.0 1.8 3.39 467 465 A 43 GLN H A 43 GLN HGx 1.0 1.8 4.33 468 466 A 44 PHE H A 34 TRP HE3 1.0 1.8 5.33 469 467 A 43 GLN HA A 44 PHE H 1.0 1.8 3.19 470 468 A 36 VAL HA A 44 PHE H 1.0 1.8 3.86 471 469 A 44 PHE HBy A 44 PHE H 1.0 1.8 3.98 472 470 A 43 GLN HBy A 44 PHE H 1.0 1.8 4.16 473 471 A 42 GLU HBy A 44 PHE H 1.0 1.8 5.41 474 472 A 44 PHE H A 35 LYS HBy 1.0 1.8 4.70 475 473 A 36 VAL HGx% A 44 PHE H 1.0 1.8 5.26 476 474 A 46 PRO HBx A 47 ASP H 1.0 1.8 4.27 477 475 A 47 ASP H A 46 PRO HGy 1.0 1.8 5.16 478 476 A 45 PRO HBy A 47 ASP H 1.0 1.8 4.69 479 477 A 47 ASP H A 47 ASP HBy 1.0 1.8 4.11 480 478 A 47 ASP H A 47 ASP HBx 1.0 1.8 4.11 481 479 A 46 PRO HDy A 47 ASP H 1.0 1.8 4.52 482 480 A 48 TYR HBx A 47 ASP H 1.0 1.8 4.85 483 481 A 48 TYR H A 47 ASP H 1.0 1.8 3.07 484 482 A 48 TYR HD% A 48 TYR H 1.0 1.8 3.92 485 483 A 49 ASP HA A 48 TYR H 1.0 1.8 5.50 486 484 A 48 TYR H A 48 TYR HBy 1.0 1.8 3.42 487 485 A 44 PHE HBy A 48 TYR H 1.0 1.8 5.37 488 486 A 46 PRO HDx A 48 TYR H 1.0 1.8 5.50 489 487 A 45 PRO HBx A 48 TYR H 1.0 1.8 4.66 490 488 A 49 ASP H A 52 VAL HGy% 1.0 1.8 4.18 491 489 A 49 ASP H A 52 VAL HB 1.0 1.8 4.93 492 490 A 49 ASP H A 49 ASP HBy 1.0 1.8 3.41 493 491 A 49 ASP H A 48 TYR HBx 1.0 1.8 4.76 494 492 A 48 TYR HD% A 49 ASP H 1.0 1.8 4.32 495 493 A 49 ASP H A 48 TYR H 1.0 1.8 3.95 496 494 A 49 ASP H A 50 GLN H 1.0 1.8 4.21 497 495 A 49 ASP HA A 50 GLN H 1.0 1.8 2.80 498 496 A 50 GLN H A 49 ASP HBy 1.0 1.8 4.08 499 497 A 49 ASP HBx A 50 GLN H 1.0 1.8 4.54 500 498 A 50 GLN H A 50 GLN HBy 1.0 1.8 3.64 501 499 A 50 GLN HE2x A 54 GLU HGy 1.0 1.8 4.46 502 500 A 50 GLN HE2y A 54 GLU HGx 1.0 1.8 4.46 503 501 A 50 GLN HE2y A 54 GLU HGy 1.0 1.8 4.46 504 502 A 51 GLN H A 50 GLN HBy 1.0 1.8 3.98 505 503 A 51 GLN H A 52 VAL H 1.0 1.8 2.97 506 504 A 51 GLN H A 50 GLN H 1.0 1.8 3.19 507 505 A 53 PHE H A 52 VAL H 1.0 1.8 3.25 508 506 A 49 ASP HBx A 52 VAL H 1.0 1.8 4.17 509 507 A 49 ASP HBy A 52 VAL H 1.0 1.8 3.95 510 508 A 52 VAL H A 51 GLN HBx 1.0 1.8 4.21 511 509 A 52 VAL H A 51 GLN HBy 1.0 1.8 4.21 512 510 A 52 VAL H A 52 VAL HGy% 1.0 1.8 3.81 513 511 A 53 PHE H A 52 VAL HB 1.0 1.8 4.11 514 512 A 53 PHE H A 53 PHE HBx 1.0 1.8 3.65 515 513 A 53 PHE HBy A 53 PHE H 1.0 1.8 3.57 516 514 A 48 TYR HE% A 53 PHE H 1.0 1.8 4.75 517 515 A 53 PHE HD% A 53 PHE H 1.0 1.8 4.96 518 516 A 48 TYR HD% A 53 PHE H 1.0 1.8 4.37 519 517 A 54 GLU H A 53 PHE H 1.0 1.8 3.35 520 518 A 54 GLU H A 55 ARG H 1.0 1.8 3.20 521 519 A 54 GLU H A 52 VAL H 1.0 1.8 4.03 522 520 A 54 GLU H A 53 PHE HBx 1.0 1.8 4.23 523 521 A 53 PHE HBy A 54 GLU H 1.0 1.8 3.62 524 522 A 54 GLU H A 54 GLU HGy 1.0 1.8 4.21 525 523 A 54 GLU H A 54 GLU HBy 1.0 1.8 3.65 526 524 A 55 ARG HBx A 55 ARG H 1.0 1.8 3.25 527 525 A 6 VAL H A 6 VAL HB 1.0 1.8 3.34 528 526 A 52 VAL HA A 55 ARG H 1.0 1.8 4.01 529 527 A 57 VAL H A 56 HIS H 1.0 1.8 3.15 530 528 A 56 HIS H A 55 ARG H 1.0 1.8 3.12 531 529 A 53 PHE HA A 56 HIS H 1.0 1.8 3.88 532 530 A 54 GLU HA A 56 HIS H 1.0 1.8 4.48 533 531 A 56 HIS H A 56 HIS HBy 1.0 1.8 3.47 534 532 A 56 HIS H A 56 HIS HBx 1.0 1.8 3.47 535 533 A 55 ARG HBx A 56 HIS H 1.0 1.8 3.89 536 534 A 56 HIS H A 55 ARG HBy 1.0 1.8 3.94 537 535 A 55 ARG HBx A 57 VAL H 1.0 1.8 5.23 538 536 A 58 GLN HBx A 57 VAL H 1.0 1.8 4.34 539 537 A 57 VAL H A 56 HIS HBy 1.0 1.8 4.22 540 538 A 55 ARG HA A 57 VAL H 1.0 1.8 4.44 541 539 A 60 HIS HD2 A 57 VAL H 1.0 1.8 4.73 542 540 A 68 PHE H A 68 PHE HD% 1.0 1.8 4.67 543 541 A 58 GLN H A 57 VAL H 1.0 1.8 3.33 544 542 A 59 THR H A 57 VAL H 1.0 1.8 4.39 545 543 A 59 THR H A 58 GLN H 1.0 1.8 3.24 546 544 A 58 GLN H A 56 HIS H 1.0 1.8 4.19 547 545 A 55 ARG HA A 58 GLN H 1.0 1.8 3.75 548 546 A 56 HIS HA A 58 GLN H 1.0 1.8 5.11 549 547 A 59 THR HA A 58 GLN H 1.0 1.8 5.50 550 548 A 58 GLN H A 57 VAL HB 1.0 1.8 3.21 551 549 A 58 GLN HGy A 58 GLN HE2y 1.0 1.8 4.07 552 550 A 59 THR H A 58 GLN HBx 1.0 1.8 4.14 553 551 A 59 THR H A 57 VAL HB 1.0 1.8 5.05 554 552 A 58 GLN HA A 58 GLN HE2y 1.0 1.8 4.02 555 553 A 62 ASP H A 59 THR H 1.0 1.8 4.30 556 554 A 60 HIS H A 61 PHE H 1.0 1.8 3.01 557 555 A 59 THR H A 60 HIS H 1.0 1.8 3.20 558 556 A 58 GLN HA A 60 HIS H 1.0 1.8 4.60 559 557 A 60 HIS H A 60 HIS HBy 1.0 1.8 3.64 560 558 A 60 HIS H A 60 HIS HBx 1.0 1.8 3.49 561 559 A 61 PHE H A 60 HIS HBx 1.0 1.8 3.73 562 560 A 61 PHE H A 61 PHE HBy 1.0 1.8 3.83 563 561 A 61 PHE H A 61 PHE HBx 1.0 1.8 3.83 564 562 A 58 GLN HA A 61 PHE H 1.0 1.8 3.98 565 563 A 62 ASP HA A 61 PHE H 1.0 1.8 4.98 566 564 A 62 ASP H A 61 PHE H 1.0 1.8 3.00 567 565 A 62 ASP H A 60 HIS H 1.0 1.8 4.31 568 566 A 61 PHE HD% A 62 ASP H 1.0 1.8 4.36 569 567 A 62 ASP H A 61 PHE HBy 1.0 1.8 4.02 570 568 A 62 ASP H A 60 HIS HBx 1.0 1.8 5.15 571 569 A 62 ASP H A 62 ASP HBy 1.0 1.8 3.43 572 570 A 62 ASP H A 62 ASP HBx 1.0 1.8 3.28 573 571 A 63 GLN H A 63 GLN HBy 1.0 1.8 4.10 574 572 A 63 GLN H A 63 GLN HBx 1.0 1.8 4.10 575 573 A 62 ASP H A 63 GLN H 1.0 1.8 3.51 576 574 A 63 GLN H A 61 PHE H 1.0 1.8 4.49 577 575 A 63 GLN H A 64 ASN H 1.0 1.8 3.34 578 576 A 64 ASN H A 64 ASN HBx 1.0 1.8 4.10 579 577 A 64 ASN H A 65 VAL H 1.0 1.8 3.47 580 578 A 65 VAL H A 66 LEU H 1.0 1.8 3.33 581 579 A 65 VAL H A 65 VAL HB 1.0 1.8 3.90 582 580 A 66 LEU H A 66 LEU HBy 1.0 1.8 4.03 583 581 A 66 LEU H A 65 VAL HGx% 1.0 1.8 5.42 584 582 A 66 LEU H A 65 VAL HGy% 1.0 1.8 5.42 585 583 A 65 VAL HA A 66 LEU H 1.0 1.8 3.04 586 584 A 66 LEU HA A 67 ASN H 1.0 1.8 3.25 587 585 A 67 ASN H A 67 ASN HBy 1.0 1.8 4.03 588 586 A 68 PHE H A 69 ASP H 1.0 1.8 4.17 589 587 A 29 HIS HD2 A 33 HIS H 1.0 1.8 5.03 590 588 A 5 ASP H A 4 MET H 1.0 1.8 3.87 591 589 A 9 LYS H A 8 LYS H 1.0 1.8 3.93 592 590 A 8 LYS H A 7 HIS H 1.0 1.8 4.05 593 591 A 15 LEU H A 10 CYS H 1.0 1.8 4.79 594 592 A 17 PHE HE% A 10 CYS H 1.0 1.8 5.11 595 593 A 13 CYS H A 15 LEU H 1.0 1.8 4.88 596 594 A 29 HIS H A 32 SER H 1.0 1.8 4.59 597 595 A 34 TRP H A 34 TRP HE3 1.0 1.8 4.10 598 596 A 34 TRP HD1 A 35 LYS H 1.0 1.8 5.02 599 597 A 49 ASP H A 52 VAL H 1.0 1.8 4.17 600 598 A 53 PHE H A 50 GLN H 1.0 1.8 4.68 601 599 A 51 GLN H A 53 PHE H 1.0 1.8 4.20 602 600 A 55 ARG H A 52 VAL H 1.0 1.8 4.99 603 601 A 54 GLU H A 56 HIS H 1.0 1.8 4.40 604 602 A 54 GLU H A 57 VAL H 1.0 1.8 4.77 605 603 A 51 GLN H A 54 GLU H 1.0 1.8 4.41 606 604 A 53 PHE H A 55 ARG H 1.0 1.8 4.03 607 605 A 58 GLN H A 60 HIS H 1.0 1.8 4.54 608 606 A 61 PHE HD% A 61 PHE H 1.0 1.8 3.70 609 607 A 58 GLN HE2x A 61 PHE H 1.0 1.8 4.83 610 608 A 63 GLN H A 65 VAL H 1.0 1.8 4.76 611 609 A 62 ASP H A 64 ASN H 1.0 1.8 4.83 612 610 A 4 MET HE% A 5 ASP H 1.0 1.8 4.81 613 611 A 11 PRO HDx A 12 LEU H 1.0 1.8 4.56 614 612 A 12 LEU H A 12 LEU HDy% 1.0 1.8 4.45 615 613 A 30 VAL HGx% A 12 LEU H 1.0 1.8 4.32 616 614 A 14 GLU HA A 13 CYS H 1.0 1.8 4.68 617 615 A 10 CYS HBx A 14 GLU H 1.0 1.8 4.87 618 616 A 31 GLU HA A 34 TRP HE1 1.0 1.8 4.31 619 617 A 45 PRO HA A 34 TRP HE1 1.0 1.8 4.56 620 618 A 34 TRP HE1 A 34 TRP HBx 1.0 1.8 4.56 621 619 A 34 TRP HE1 A 34 TRP HBy 1.0 1.8 4.93 622 620 A 46 PRO HDx A 34 TRP HE1 1.0 1.8 4.61 623 621 A 30 VAL HGx% A 34 TRP HE1 1.0 1.8 3.87 624 622 A 34 TRP HE1 A 12 LEU HDx% 1.0 1.8 4.36 625 623 A 30 VAL HB A 34 TRP HE1 1.0 1.8 5.04 626 624 A 43 GLN HBy A 34 TRP HE3 1.0 1.8 4.68 627 625 A 34 TRP HE3 A 43 GLN HBx 1.0 1.8 4.85 628 626 A 31 GLU HA A 34 TRP HE3 1.0 1.8 4.80 629 627 A 34 TRP HBx A 34 TRP HZ3 1.0 1.8 5.50 630 628 A 34 TRP HBy A 34 TRP HZ3 1.0 1.8 5.50 631 629 A 57 VAL HGx% A 56 HIS HD2 1.0 1.8 4.95 632 630 A 48 TYR HE% A 52 VAL HGx% 1.0 1.8 4.43 633 631 A 7 HIS HA A 7 HIS HD2 1.0 1.8 4.77 634 632 A 17 PHE HA A 21 TYR HD% 1.0 1.8 5.08 635 633 A 21 TYR HA A 21 TYR HD% 1.0 1.8 3.61 636 634 A 21 TYR HD% A 18 PRO HGx 1.0 1.8 4.23 637 634 A 21 TYR HD% A 18 PRO HGy 1.0 1.8 4.23 638 635 A 48 TYR HD% A 45 PRO HBx 1.0 1.8 5.27 639 636 A 17 PHE HZ A 15 LEU HDx% 1.0 1.8 5.42 640 637 A 17 PHE HZ A 15 LEU HDy% 1.0 1.8 5.42 641 638 A 15 LEU HA A 15 LEU HDx% 1.0 1.8 3.87 642 639 A 15 LEU HBx A 15 LEU HDx% 1.0 1.8 3.92 643 640 A 15 LEU HDx% A 15 LEU HBy 1.0 1.8 3.92 644 641 A 15 LEU HBy A 15 LEU HDy% 1.0 1.8 3.92 645 642 A 57 VAL HGy% A 56 HIS HD2 1.0 1.8 3.62 646 643 A 30 VAL HGy% A 11 PRO HGx 1.0 1.8 4.91 647 644 A 53 PHE HZ A 35 LYS HBx 1.0 1.8 5.17 648 645 A 30 VAL HGx% A 26 PHE HE% 1.0 1.8 4.67 649 646 A 57 VAL HGx% A 53 PHE HE% 1.0 1.8 5.03 650 647 A 52 VAL HA A 52 VAL HGx% 1.0 1.8 3.29 651 648 A 52 VAL H A 52 VAL HGx% 1.0 1.8 3.81 652 649 A 13 CYS H A 12 LEU HBx 1.0 1.8 3.40 653 650 A 53 PHE H A 52 VAL HGx% 1.0 1.8 4.10 654 651 A 12 LEU H A 12 LEU HDx% 1.0 1.8 4.45 655 652 A 57 VAL HGx% A 61 PHE HE% 1.0 1.8 3.50 656 653 A 11 PRO HDx A 26 PHE HZ 1.0 1.8 4.32 657 654 A 39 MET HE% A 61 PHE HD% 1.0 1.8 3.36 658 655 A 39 MET HE% A 61 PHE HE% 1.0 1.8 4.17 659 656 A 32 SER H A 31 GLU HBy 1.0 1.8 4.57 660 657 A 39 MET HE% A 60 HIS HBy 1.0 1.8 3.76 661 658 A 25 LYS HBx A 25 LYS H 1.0 1.8 3.61 662 659 A 39 MET HE% A 61 PHE HZ 1.0 1.8 4.37 663 660 A 39 MET HE% A 60 HIS HBx 1.0 1.8 3.92 664 661 A 39 MET HE% A 39 MET H 1.0 1.8 4.36 665 662 A 39 MET HE% A 57 VAL HGx% 1.0 1.8 3.95 666 663 A 44 PHE H A 35 LYS H 1.0 1.8 4.20 667 664 A 14 GLU H A 12 LEU H 1.0 1.8 4.97 668 665 A 37 CYS H A 43 GLN H 1.0 1.8 5.50 669 666 A 43 GLN H A 44 PHE H 1.0 1.8 4.63 670 667 A 50 GLN H A 52 VAL H 1.0 1.8 4.36 671 668 A 17 PHE H A 16 MET H 1.0 1.8 5.18 672 669 A 37 CYS H A 44 PHE HE% 1.0 1.8 5.06 673 670 A 44 PHE HD% A 44 PHE H 1.0 1.8 3.66 674 671 A 21 TYR HD% A 26 PHE H 1.0 1.8 4.07 675 672 A 53 PHE HD% A 54 GLU H 1.0 1.8 4.03 676 673 A 26 PHE HD% A 26 PHE H 1.0 1.8 4.26 677 674 A 26 PHE HD% A 27 GLU H 1.0 1.8 4.37 678 675 A 40 CYS H A 42 GLU H 1.0 1.8 3.99 679 676 A 6 VAL H A 7 HIS H 1.0 1.8 3.57 680 677 A 31 GLU H A 30 VAL H 1.0 1.8 3.27 681 678 A 28 GLU H A 29 HIS H 1.0 1.8 3.23 682 679 A 31 GLU H A 32 SER H 1.0 1.8 3.32 683 680 A 34 TRP HD1 A 34 TRP H 1.0 1.8 3.46 684 681 A 22 ASP H A 21 TYR HD% 1.0 1.8 3.79 685 682 A 21 TYR HD% A 21 TYR H 1.0 1.8 3.75 686 683 A 60 HIS HD2 A 60 HIS H 1.0 1.8 3.66 687 684 A 33 HIS HD2 A 33 HIS H 1.0 1.8 4.17 688 685 A 61 PHE HD% A 58 GLN HE2x 1.0 1.8 4.45 689 686 A 29 HIS HD2 A 33 HIS HD2 1.0 1.8 3.60 690 687 A 44 PHE HD% A 48 TYR HD% 1.0 1.8 3.88 691 688 A 53 PHE HD% A 53 PHE HZ 1.0 1.8 3.89 692 689 A 61 PHE HD% A 58 GLN H 1.0 1.8 5.36 693 690 A 56 HIS HD2 A 57 VAL H 1.0 1.8 4.22 694 691 A 56 HIS HE1 A 44 PHE HE% 1.0 1.8 5.50 695 692 A 17 PHE H A 17 PHE HE% 1.0 1.8 5.50 696 693 A 16 MET HA A 17 PHE HD% 1.0 1.8 4.91 697 694 A 37 CYS H A 36 VAL HA 1.0 1.8 3.09 698 695 A 37 CYS HA A 39 MET H 1.0 1.8 4.44 699 696 A 36 VAL HA A 53 PHE HE% 1.0 1.8 4.85 700 697 A 37 CYS HA A 53 PHE HE% 1.0 1.8 5.03 701 698 A 53 PHE HZ A 37 CYS HA 1.0 1.8 4.23 702 699 A 10 CYS HA A 26 PHE HZ 1.0 1.8 4.64 703 700 A 10 CYS HA A 26 PHE HE% 1.0 1.8 4.34 704 701 A 5 ASP HA A 7 HIS H 1.0 1.8 4.60 705 702 A 14 GLU H A 11 PRO HA 1.0 1.8 5.50 706 703 A 66 LEU H A 64 ASN HA 1.0 1.8 5.50 707 704 A 38 PRO HA A 41 SER H 1.0 1.8 4.96 708 705 A 39 MET HA A 41 SER H 1.0 1.8 5.47 709 706 A 33 HIS HA A 35 LYS H 1.0 1.8 5.50 710 707 A 34 TRP HD1 A 34 TRP HA 1.0 1.8 3.69 711 708 A 37 CYS H A 41 SER HA 1.0 1.8 4.58 712 709 A 38 PRO HDy A 39 MET H 1.0 1.8 4.35 713 710 A 6 VAL HA A 8 LYS H 1.0 1.8 4.52 714 711 A 51 GLN HA A 54 GLU H 1.0 1.8 3.80 715 712 A 14 GLU HA A 15 LEU H 1.0 1.8 3.46 716 713 A 11 PRO HDy A 26 PHE HZ 1.0 1.8 4.21 717 714 A 62 ASP H A 59 THR HA 1.0 1.8 3.75 718 715 A 59 THR H A 59 THR HB 1.0 1.8 3.83 719 716 A 60 HIS H A 59 THR HB 1.0 1.8 4.25 720 717 A 24 SER H A 24 SER HBx 1.0 1.8 3.67 721 718 A 24 SER H A 24 SER HBy 1.0 1.8 3.67 722 719 A 58 GLN HA A 57 VAL H 1.0 1.8 5.05 723 720 A 50 GLN HA A 52 VAL H 1.0 1.8 4.53 724 721 A 26 PHE HA A 21 TYR HE% 1.0 1.8 4.97 725 722 A 28 GLU HA A 30 VAL H 1.0 1.8 5.46 726 723 A 53 PHE HA A 52 VAL H 1.0 1.8 5.37 727 724 A 27 GLU HA A 30 VAL H 1.0 1.8 3.94 728 725 A 27 GLU HA A 29 HIS H 1.0 1.8 4.39 729 726 A 31 GLU HA A 33 HIS H 1.0 1.8 4.46 730 727 A 54 GLU HA A 57 VAL H 1.0 1.8 3.91 731 728 A 45 PRO HA A 47 ASP H 1.0 1.8 4.36 732 729 A 52 VAL HA A 54 GLU H 1.0 1.8 4.67 733 730 A 45 PRO HA A 34 TRP HE3 1.0 1.8 5.26 734 731 A 40 CYS HBy A 42 GLU H 1.0 1.8 4.34 735 732 A 37 CYS H A 37 CYS HBx 1.0 1.8 3.57 736 733 A 45 PRO HDx A 48 TYR HE% 1.0 1.8 5.11 737 734 A 59 THR H A 57 VAL HA 1.0 1.8 5.09 738 735 A 57 VAL HA A 60 HIS H 1.0 1.8 4.21 739 736 A 10 CYS HBy A 17 PHE HE% 1.0 1.8 4.43 740 737 A 44 PHE HD% A 45 PRO HDx 1.0 1.8 4.32 741 738 A 10 CYS HBy A 10 CYS H 1.0 1.8 3.89 742 739 A 10 CYS HBy A 15 LEU H 1.0 1.8 4.61 743 740 A 10 CYS HBy A 13 CYS H 1.0 1.8 3.63 744 741 A 60 HIS HD2 A 57 VAL HA 1.0 1.8 3.19 745 742 A 30 VAL HA A 33 HIS H 1.0 1.8 4.50 746 743 A 13 CYS H A 13 CYS HBx 1.0 1.8 3.90 747 744 A 62 ASP H A 61 PHE HBx 1.0 1.8 4.02 748 745 A 19 PRO HDx A 20 ASN H 1.0 1.8 4.84 749 746 A 21 TYR HBy A 21 TYR H 1.0 1.8 3.45 750 747 A 17 PHE HD% A 21 TYR HBy 1.0 1.8 4.62 751 748 A 57 VAL H A 56 HIS HBx 1.0 1.8 4.22 752 749 A 44 PHE H A 34 TRP HBy 1.0 1.8 4.37 753 750 A 48 TYR HBx A 48 TYR H 1.0 1.8 3.25 754 751 A 4 MET H A 3 HIS HBx 1.0 1.8 5.29 755 752 A 4 MET H A 3 HIS HBy 1.0 1.8 5.29 756 753 A 33 HIS HBx A 34 TRP H 1.0 1.8 3.83 757 754 A 53 PHE HBy A 52 VAL H 1.0 1.8 4.98 758 755 A 7 HIS H A 7 HIS HBy 1.0 1.8 4.01 759 756 A 37 CYS H A 37 CYS HBy 1.0 1.8 3.57 760 757 A 42 GLU H A 37 CYS HBy 1.0 1.8 4.01 761 758 A 10 CYS HBx A 10 CYS H 1.0 1.8 3.90 762 759 A 10 CYS HBx A 15 LEU H 1.0 1.8 4.58 763 760 A 10 CYS HBx A 13 CYS H 1.0 1.8 4.50 764 761 A 13 CYS H A 13 CYS HBy 1.0 1.8 3.90 765 762 A 63 GLN H A 62 ASP HBy 1.0 1.8 4.00 766 763 A 26 PHE H A 26 PHE HBy 1.0 1.8 3.52 767 764 A 62 ASP HBy A 64 ASN H 1.0 1.8 3.90 768 765 A 22 ASP H A 21 TYR HBx 1.0 1.8 3.55 769 766 A 49 ASP H A 48 TYR HBy 1.0 1.8 3.64 770 767 A 54 GLU H A 54 GLU HGx 1.0 1.8 4.21 771 768 A 40 CYS H A 40 CYS HBx 1.0 1.8 4.09 772 769 A 60 HIS HE1 A 40 CYS HBx 1.0 1.8 3.34 773 770 A 5 ASP H A 5 ASP HBx 1.0 1.8 3.93 774 771 A 63 GLN H A 62 ASP HBx 1.0 1.8 4.23 775 772 A 67 ASN H A 67 ASN HBx 1.0 1.8 4.03 776 773 A 62 ASP HBx A 61 PHE H 1.0 1.8 4.61 777 774 A 59 THR H A 62 ASP HBx 1.0 1.8 5.21 778 775 A 49 ASP H A 49 ASP HBx 1.0 1.8 3.25 779 776 A 53 PHE H A 49 ASP HBx 1.0 1.8 5.25 780 777 A 53 PHE H A 49 ASP HBy 1.0 1.8 5.41 781 778 A 46 PRO HDx A 47 ASP H 1.0 1.8 3.95 782 779 A 58 GLN HGx A 57 VAL H 1.0 1.8 4.89 783 780 A 58 GLN HGx A 58 GLN H 1.0 1.8 3.71 784 781 A 44 PHE HBx A 44 PHE H 1.0 1.8 4.04 785 782 A 51 GLN H A 49 ASP HBy 1.0 1.8 3.46 786 783 A 27 GLU H A 27 GLU HGy 1.0 1.8 3.71 787 784 A 28 GLU HGx A 28 GLU H 1.0 1.8 3.59 788 785 A 44 PHE HBx A 35 LYS H 1.0 1.8 3.73 789 786 A 63 GLN H A 63 GLN HGx 1.0 1.8 5.12 790 787 A 63 GLN H A 63 GLN HGy 1.0 1.8 5.12 791 788 A 24 SER H A 22 ASP HBy 1.0 1.8 4.29 792 789 A 22 ASP HBy A 25 LYS H 1.0 1.8 4.00 793 790 A 31 GLU H A 31 GLU HGy 1.0 1.8 3.63 794 791 A 50 GLN H A 50 GLN HBx 1.0 1.8 3.64 795 792 A 14 GLU H A 14 GLU HGx 1.0 1.8 4.47 796 793 A 23 GLN HBy A 24 SER H 1.0 1.8 3.41 797 794 A 30 VAL H A 27 GLU HBy 1.0 1.8 5.45 798 795 A 54 GLU HBx A 53 PHE H 1.0 1.8 5.10 799 796 A 54 GLU HBx A 54 GLU H 1.0 1.8 3.38 800 797 A 58 GLN HBy A 58 GLN HE2y 1.0 1.8 4.92 801 798 A 58 GLN HBx A 58 GLN H 1.0 1.8 3.01 802 799 A 43 GLN H A 42 GLU HBy 1.0 1.8 3.69 803 800 A 39 MET H A 38 PRO HGx 1.0 1.8 4.67 804 801 A 27 GLU H A 27 GLU HBx 1.0 1.8 3.22 805 802 A 23 GLN HBx A 23 GLN H 1.0 1.8 3.29 806 803 A 57 VAL HB A 57 VAL H 1.0 1.8 3.34 807 804 A 30 VAL HB A 30 VAL H 1.0 1.8 3.39 808 805 A 28 GLU H A 27 GLU HBx 1.0 1.8 3.50 809 806 A 18 PRO HBx A 21 TYR H 1.0 1.8 5.30 810 807 A 37 CYS H A 36 VAL HB 1.0 1.8 4.47 811 808 A 55 ARG HBx A 54 GLU H 1.0 1.8 4.67 812 809 A 36 VAL HB A 36 VAL H 1.0 1.8 3.40 813 810 A 17 PHE H A 16 MET HE% 1.0 1.8 5.50 814 811 A 23 GLN H A 25 LYS HBx 1.0 1.8 5.50 815 812 A 39 MET HE% A 40 CYS H 1.0 1.8 4.81 816 813 A 32 SER H A 31 GLU HBx 1.0 1.8 4.57 817 814 A 42 GLU HGx A 42 GLU H 1.0 1.8 4.63 818 815 A 44 PHE H A 43 GLN HBx 1.0 1.8 4.51 819 816 A 45 PRO HBx A 47 ASP H 1.0 1.8 3.45 820 817 A 20 ASN H A 19 PRO HGx 1.0 1.8 4.52 821 818 A 9 LYS H A 9 LYS HBx 1.0 1.8 4.04 822 819 A 9 LYS HBx A 10 CYS H 1.0 1.8 4.29 823 820 A 42 GLU HGy A 43 GLN H 1.0 1.8 4.53 824 821 A 25 LYS H A 25 LYS HDx 1.0 1.8 5.50 825 822 A 25 LYS H A 25 LYS HDy 1.0 1.8 5.50 826 823 A 9 LYS HBy A 10 CYS H 1.0 1.8 4.51 827 824 A 66 LEU H A 66 LEU HBx 1.0 1.8 4.03 828 825 A 66 LEU H A 66 LEU HG 1.0 1.8 4.41 829 826 A 67 ASN H A 66 LEU HG 1.0 1.8 5.50 830 827 A 67 ASN H A 66 LEU HBx 1.0 1.8 5.50 831 828 A 47 ASP H A 46 PRO HGx 1.0 1.8 5.16 832 829 A 15 LEU H A 15 LEU HBx 1.0 1.8 3.92 833 830 A 12 LEU HG A 12 LEU H 1.0 1.8 4.58 834 831 A 12 LEU HG A 13 CYS H 1.0 1.8 5.07 835 832 A 39 MET H A 39 MET HBy 1.0 1.8 3.99 836 833 A 66 LEU HBy A 67 ASN H 1.0 1.8 5.50 837 834 A 37 CYS H A 42 GLU HBx 1.0 1.8 4.47 838 835 A 42 GLU H A 42 GLU HBx 1.0 1.8 3.59 839 836 A 44 PHE H A 35 LYS HBx 1.0 1.8 4.70 840 837 A 35 LYS H A 35 LYS HBx 1.0 1.8 4.07 841 838 A 59 THR HG21 A 56 HIS H 1.0 1.8 5.11 842 839 A 59 THR HG21 A 58 GLN H 1.0 1.8 5.17 843 840 A 59 THR HG21 A 59 THR H 1.0 1.8 3.19 844 841 A 59 THR HG21 A 61 PHE H 1.0 1.8 5.19 845 842 A 39 MET H A 39 MET HBx 1.0 1.8 3.99 846 843 A 37 CYS H A 36 VAL HGy% 1.0 1.8 3.51 847 844 A 40 CYS H A 39 MET HBx 1.0 1.8 4.21 848 845 A 16 MET H A 15 LEU HG 1.0 1.8 3.83 849 846 A 15 LEU H A 15 LEU HBy 1.0 1.8 3.92 850 847 A 30 VAL HGx% A 30 VAL H 1.0 1.8 3.93 851 848 A 49 ASP H A 52 VAL HGx% 1.0 1.8 4.18 852 849 A 33 HIS HD2 A 12 LEU HBx 1.0 1.8 4.89 853 850 A 53 PHE HZ A 35 LYS HBy 1.0 1.8 5.17 854 851 A 33 HIS HD2 A 30 VAL HGy% 1.0 1.8 5.50 855 852 A 35 LYS H A 35 LYS HGy 1.0 1.8 4.66 856 853 A 36 VAL HGy% A 42 GLU H 1.0 1.8 5.41 857 854 A 36 VAL HGx% A 36 VAL H 1.0 1.8 3.28 858 855 A 36 VAL HGy% A 43 GLN H 1.0 1.8 5.38 859 856 A 30 VAL HGy% A 30 VAL H 1.0 1.8 3.14 860 857 A 57 VAL HGy% A 57 VAL H 1.0 1.8 3.06 861 858 A 30 VAL HGy% A 29 HIS H 1.0 1.8 4.11 862 859 A 59 THR H A 57 VAL HGy% 1.0 1.8 5.44 863 860 A 30 VAL HGy% A 17 PHE HE% 1.0 1.8 4.52 864 861 A 13 CYS H A 12 LEU HDy% 1.0 1.8 5.37 865 862 A 16 MET H A 15 LEU HDx% 1.0 1.8 4.28 866 863 A 29 HIS HE1 A 15 LEU HDx% 1.0 1.8 3.88 867 864 A 17 PHE HE% A 15 LEU HDx% 1.0 1.8 4.50 868 865 A 42 GLU HBx A 44 PHE HE% 1.0 1.8 4.31 869 866 A 48 TYR HD% A 44 PHE HBy 1.0 1.8 4.77 870 867 A 48 TYR HD% A 44 PHE HBx 1.0 1.8 4.61 871 868 A 53 PHE HD% A 44 PHE HBx 1.0 1.8 4.66 872 869 A 11 PRO HGx A 26 PHE HZ 1.0 1.8 4.68 873 870 A 34 TRP HD1 A 46 PRO HBy 1.0 1.8 5.16 874 871 A 48 TYR HE% A 52 VAL HB 1.0 1.8 4.40 875 872 A 48 TYR HD% A 52 VAL HB 1.0 1.8 4.55 876 873 A 11 PRO HGy A 26 PHE HZ 1.0 1.8 4.69 877 874 A 42 GLU HBy A 44 PHE HE% 1.0 1.8 4.77 878 875 A 48 TYR HE% A 45 PRO HGx 1.0 1.8 5.01 879 876 A 48 TYR HE% A 45 PRO HGy 1.0 1.8 5.01 880 877 A 34 TRP HD1 A 33 HIS HBy 1.0 1.8 4.61 881 878 A 34 TRP HD1 A 33 HIS HBx 1.0 1.8 5.07 882 879 A 10 CYS HBx A 26 PHE HE% 1.0 1.8 4.77 883 880 A 10 CYS HBx A 17 PHE HE% 1.0 1.8 3.95 884 881 A 61 PHE HD% A 60 HIS HBx 1.0 1.8 4.34 885 882 A 50 GLN HE2x A 54 GLU HGx 1.0 1.8 4.46 886 883 A 17 PHE HD% A 21 TYR HBx 1.0 1.8 4.67 887 884 A 16 MET HA A 15 LEU HA 1.0 1.8 4.42 888 885 A 57 VAL HA A 58 GLN HA 1.0 1.8 4.83 889 886 A 48 TYR HA A 49 ASP HBx 1.0 1.8 4.34 890 887 A 25 LYS HA A 28 GLU HGx 1.0 1.8 4.13 891 888 A 26 PHE HA A 25 LYS HBy 1.0 1.8 5.11 892 889 A 43 GLN HBy A 34 TRP HBy 1.0 1.8 4.13 893 890 A 44 PHE HBy A 48 TYR HBy 1.0 1.8 3.96 894 891 A 49 ASP HBx A 52 VAL HGx% 1.0 1.8 4.21 895 892 A 22 ASP HBy A 25 LYS HBx 1.0 1.8 3.58 896 893 A 22 ASP HBx A 25 LYS HBx 1.0 1.8 3.56 897 894 A 16 MET HE% A 16 MET HGy 1.0 1.8 3.88 898 895 A 16 MET HE% A 16 MET HGx 1.0 1.8 3.88 899 896 A 46 PRO HGx A 12 LEU HDy% 1.0 1.8 5.68 900 897 A 30 VAL HGx% A 12 LEU HDy% 1.0 1.8 3.20 901 898 A 1 GLY HAy A 2 PRO HDx 1.0 1.8 3.12 902 898 A 2 PRO HDy A 1 GLY HAx 1.0 1.8 3.12 903 898 A 1 GLY HAy A 2 PRO HDy 1.0 1.8 3.12 904 898 A 1 GLY HAx A 2 PRO HDx 1.0 1.8 3.12 905 899 A 3 HIS H A 2 PRO HBx 1.0 1.8 4.06 906 899 A 2 PRO HBy A 3 HIS H 1.0 1.8 4.06 907 900 A 3 HIS H A 3 HIS HBy 1.0 1.8 3.57 908 900 A 3 HIS H A 3 HIS HBx 1.0 1.8 3.57 909 901 A 4 MET H A 4 MET HBx 1.0 1.8 3.59 910 901 A 4 MET H A 4 MET HBy 1.0 1.8 3.59 911 902 A 5 ASP H A 6 VAL HGy% 1.0 1.8 4.90 912 902 A 5 ASP H A 6 VAL HGx% 1.0 1.8 4.90 913 903 A 5 ASP HA A 6 VAL HGy% 1.0 1.8 4.12 914 903 A 5 ASP HA A 6 VAL HGx% 1.0 1.8 4.12 915 904 A 7 HIS H A 5 ASP HBy 1.0 1.8 5.13 916 904 A 7 HIS H A 5 ASP HBx 1.0 1.8 5.13 917 905 A 6 VAL H A 6 VAL HGy% 1.0 1.8 3.32 918 905 A 6 VAL H A 6 VAL HGx% 1.0 1.8 3.32 919 906 A 7 HIS H A 6 VAL HGy% 1.0 1.8 4.33 920 906 A 7 HIS H A 6 VAL HGx% 1.0 1.8 4.33 921 907 A 7 HIS H A 7 HIS HBy 1.0 1.8 3.46 922 907 A 7 HIS H A 7 HIS HBx 1.0 1.8 3.46 923 908 A 7 HIS H A 8 LYS HBy 1.0 1.8 5.12 924 908 A 7 HIS H A 8 LYS HBx 1.0 1.8 5.12 925 909 A 8 LYS HA A 7 HIS HBy 1.0 1.8 4.64 926 909 A 8 LYS HA A 7 HIS HBx 1.0 1.8 4.64 927 910 A 8 LYS H A 8 LYS HGy 1.0 1.8 4.43 928 910 A 8 LYS H A 8 LYS HGx 1.0 1.8 4.43 929 911 A 8 LYS H A 8 LYS HDx 1.0 1.8 5.04 930 911 A 8 LYS H A 8 LYS HDy 1.0 1.8 5.04 931 912 A 8 LYS H A 9 LYS HGx 1.0 1.8 4.88 932 912 A 8 LYS H A 9 LYS HGy 1.0 1.8 4.88 933 913 A 8 LYS HA A 8 LYS HGy 1.0 1.8 3.51 934 913 A 8 LYS HA A 8 LYS HGx 1.0 1.8 3.51 935 914 A 8 LYS HA A 8 LYS HDx 1.0 1.8 4.12 936 914 A 8 LYS HA A 8 LYS HDy 1.0 1.8 4.12 937 915 A 9 LYS H A 8 LYS HBy 1.0 1.8 4.11 938 915 A 9 LYS H A 8 LYS HBx 1.0 1.8 4.11 939 916 A 17 PHE HD% A 8 LYS HBy 1.0 1.8 4.83 940 916 A 17 PHE HD% A 8 LYS HBx 1.0 1.8 4.83 941 917 A 9 LYS H A 8 LYS HGy 1.0 1.8 5.15 942 917 A 9 LYS H A 8 LYS HGx 1.0 1.8 5.15 943 918 A 9 LYS H A 8 LYS HDx 1.0 1.8 5.34 944 918 A 9 LYS H A 8 LYS HDy 1.0 1.8 5.34 945 919 A 9 LYS H A 9 LYS HGx 1.0 1.8 3.81 946 919 A 9 LYS H A 9 LYS HGy 1.0 1.8 3.81 947 920 A 9 LYS H A 9 LYS HDx 1.0 1.8 4.00 948 920 A 9 LYS H A 9 LYS HDy 1.0 1.8 4.00 949 921 A 9 LYS HA A 16 MET HGy 1.0 1.8 5.20 950 921 A 9 LYS HA A 16 MET HGx 1.0 1.8 5.20 951 922 A 9 LYS HBx A 9 LYS HEx 1.0 1.8 4.40 952 922 A 9 LYS HBx A 9 LYS HEy 1.0 1.8 4.40 953 923 A 9 LYS HBy A 9 LYS HEx 1.0 1.8 4.58 954 923 A 9 LYS HBy A 9 LYS HEy 1.0 1.8 4.58 955 924 A 14 GLU HA A 9 LYS HGx 1.0 1.8 5.22 956 924 A 14 GLU HA A 9 LYS HGy 1.0 1.8 5.22 957 925 A 10 CYS HBx A 15 LEU HBy 1.0 1.8 4.51 958 925 A 10 CYS HBx A 15 LEU HBx 1.0 1.8 4.51 959 926 A 10 CYS HBy A 15 LEU HBy 1.0 1.8 4.51 960 926 A 10 CYS HBy A 15 LEU HBx 1.0 1.8 4.51 961 927 A 11 PRO HA A 12 LEU HDy% 1.0 1.8 4.17 962 927 A 11 PRO HA A 12 LEU HDx% 1.0 1.8 4.17 963 928 A 11 PRO HBx A 12 LEU HDy% 1.0 1.8 3.54 964 928 A 11 PRO HBy A 12 LEU HDy% 1.0 1.8 3.54 965 928 A 12 LEU HDx% A 11 PRO HBx 1.0 1.8 3.54 966 928 A 12 LEU HDx% A 11 PRO HBy 1.0 1.8 3.54 967 929 A 11 PRO HGx A 12 LEU HDy% 1.0 1.8 3.82 968 929 A 11 PRO HGx A 12 LEU HDx% 1.0 1.8 3.82 969 930 A 11 PRO HGy A 12 LEU HDy% 1.0 1.8 4.22 970 930 A 11 PRO HGy A 12 LEU HDx% 1.0 1.8 4.22 971 931 A 11 PRO HDy A 12 LEU HDy% 1.0 1.8 4.51 972 931 A 11 PRO HDy A 12 LEU HDx% 1.0 1.8 4.51 973 932 A 12 LEU H A 12 LEU HDy% 1.0 1.8 3.83 974 932 A 12 LEU H A 12 LEU HDx% 1.0 1.8 3.83 975 933 A 12 LEU HA A 12 LEU HDy% 1.0 1.8 3.01 976 933 A 12 LEU HA A 12 LEU HDx% 1.0 1.8 3.01 977 934 A 12 LEU HBy A 46 PRO HGy 1.0 1.8 3.95 978 934 A 12 LEU HBy A 46 PRO HGx 1.0 1.8 3.95 979 935 A 13 CYS H A 12 LEU HDy% 1.0 1.8 4.17 980 935 A 13 CYS H A 12 LEU HDx% 1.0 1.8 4.17 981 936 A 30 VAL HA A 12 LEU HDy% 1.0 1.8 3.30 982 936 A 30 VAL HA A 12 LEU HDx% 1.0 1.8 3.30 983 937 A 30 VAL HGx% A 12 LEU HDy% 1.0 1.8 2.67 984 937 A 30 VAL HGx% A 12 LEU HDx% 1.0 1.8 2.67 985 938 A 33 HIS H A 12 LEU HDy% 1.0 1.8 4.36 986 938 A 33 HIS H A 12 LEU HDx% 1.0 1.8 4.36 987 939 A 33 HIS HA A 12 LEU HDy% 1.0 1.8 4.48 988 939 A 33 HIS HA A 12 LEU HDx% 1.0 1.8 4.48 989 940 A 33 HIS HBx A 12 LEU HDy% 1.0 1.8 4.15 990 940 A 33 HIS HBx A 12 LEU HDx% 1.0 1.8 4.15 991 941 A 33 HIS HBy A 12 LEU HDy% 1.0 1.8 3.92 992 941 A 33 HIS HBy A 12 LEU HDx% 1.0 1.8 3.92 993 942 A 33 HIS HD2 A 12 LEU HDy% 1.0 1.8 3.55 994 942 A 33 HIS HD2 A 12 LEU HDx% 1.0 1.8 3.55 995 943 A 34 TRP HD1 A 12 LEU HDy% 1.0 1.8 3.87 996 943 A 34 TRP HD1 A 12 LEU HDx% 1.0 1.8 3.87 997 944 A 34 TRP HE1 A 12 LEU HDy% 1.0 1.8 3.77 998 944 A 34 TRP HE1 A 12 LEU HDx% 1.0 1.8 3.77 999 945 A 46 PRO HBx A 12 LEU HDy% 1.0 1.8 4.52 1000 945 A 46 PRO HBx A 12 LEU HDx% 1.0 1.8 4.52 1001 946 A 46 PRO HBy A 12 LEU HDy% 1.0 1.8 4.10 1002 946 A 46 PRO HBy A 12 LEU HDx% 1.0 1.8 4.10 1003 947 A 12 LEU HDy% A 46 PRO HGy 1.0 1.8 3.42 1004 947 A 46 PRO HGx A 12 LEU HDy% 1.0 1.8 3.42 1005 947 A 12 LEU HDx% A 46 PRO HGx 1.0 1.8 3.42 1006 947 A 12 LEU HDx% A 46 PRO HGy 1.0 1.8 3.42 1007 948 A 12 LEU HDx% A 46 PRO HGx 1.0 1.8 5.68 1008 949 A 13 CYS H A 13 CYS HBx 1.0 1.8 3.37 1009 949 A 13 CYS H A 13 CYS HBy 1.0 1.8 3.37 1010 950 A 14 GLU H A 13 CYS HBx 1.0 1.8 3.59 1011 950 A 14 GLU H A 13 CYS HBy 1.0 1.8 3.59 1012 951 A 14 GLU HA A 13 CYS HBx 1.0 1.8 5.34 1013 951 A 14 GLU HA A 13 CYS HBy 1.0 1.8 5.34 1014 952 A 33 HIS HE1 A 13 CYS HBx 1.0 1.8 3.49 1015 952 A 33 HIS HE1 A 13 CYS HBy 1.0 1.8 3.49 1016 953 A 14 GLU H A 14 GLU HBx 1.0 1.8 3.70 1017 953 A 14 GLU H A 14 GLU HBy 1.0 1.8 3.70 1018 954 A 14 GLU H A 14 GLU HGx 1.0 1.8 3.88 1019 954 A 14 GLU H A 14 GLU HGy 1.0 1.8 3.88 1020 955 A 14 GLU HA A 14 GLU HGx 1.0 1.8 3.52 1021 955 A 14 GLU HA A 14 GLU HGy 1.0 1.8 3.52 1022 956 A 15 LEU H A 15 LEU HBy 1.0 1.8 3.42 1023 956 A 15 LEU H A 15 LEU HBx 1.0 1.8 3.42 1024 957 A 15 LEU HA A 15 LEU HDy% 1.0 1.8 3.21 1025 957 A 15 LEU HA A 15 LEU HDx% 1.0 1.8 3.21 1026 958 A 15 LEU HA A 16 MET HBx 1.0 1.8 4.04 1027 958 A 15 LEU HA A 16 MET HBy 1.0 1.8 4.04 1028 959 A 17 PHE HE% A 15 LEU HBy 1.0 1.8 3.87 1029 959 A 17 PHE HE% A 15 LEU HBx 1.0 1.8 3.87 1030 960 A 16 MET H A 15 LEU HDy% 1.0 1.8 3.37 1031 960 A 16 MET H A 15 LEU HDx% 1.0 1.8 3.37 1032 961 A 17 PHE HE% A 15 LEU HDy% 1.0 1.8 3.92 1033 961 A 17 PHE HE% A 15 LEU HDx% 1.0 1.8 3.92 1034 962 A 17 PHE HZ A 15 LEU HDy% 1.0 1.8 4.31 1035 962 A 17 PHE HZ A 15 LEU HDx% 1.0 1.8 4.31 1036 963 A 29 HIS HD2 A 15 LEU HDy% 1.0 1.8 4.98 1037 963 A 29 HIS HD2 A 15 LEU HDx% 1.0 1.8 4.98 1038 964 A 29 HIS HE1 A 15 LEU HDy% 1.0 1.8 3.40 1039 964 A 29 HIS HE1 A 15 LEU HDx% 1.0 1.8 3.40 1040 965 A 16 MET H A 16 MET HBx 1.0 1.8 3.28 1041 965 A 16 MET H A 16 MET HBy 1.0 1.8 3.28 1042 966 A 17 PHE H A 16 MET HBx 1.0 1.8 4.16 1043 966 A 17 PHE H A 16 MET HBy 1.0 1.8 4.16 1044 967 A 16 MET HE% A 16 MET HGy 1.0 1.8 3.19 1045 967 A 16 MET HE% A 16 MET HGx 1.0 1.8 3.19 1046 968 A 17 PHE H A 16 MET HGy 1.0 1.8 4.23 1047 968 A 17 PHE H A 16 MET HGx 1.0 1.8 4.23 1048 969 A 17 PHE H A 17 PHE HBx 1.0 1.8 3.39 1049 969 A 17 PHE H A 17 PHE HBy 1.0 1.8 3.39 1050 970 A 21 TYR HD% A 17 PHE HBx 1.0 1.8 4.13 1051 970 A 21 TYR HD% A 17 PHE HBy 1.0 1.8 4.13 1052 971 A 21 TYR HD% A 17 PHE HBx 1.0 1.8 4.74 1053 971 A 21 TYR HD% A 17 PHE HBy 1.0 1.8 4.74 1054 972 A 20 ASN H A 19 PRO HBx 1.0 1.8 4.06 1055 972 A 20 ASN H A 19 PRO HBy 1.0 1.8 4.06 1056 973 A 20 ASN HA A 20 ASN HD2y 1.0 1.8 4.51 1057 973 A 20 ASN HA A 20 ASN HD2x 1.0 1.8 4.51 1058 974 A 20 ASN HBx A 20 ASN HD2y 1.0 1.8 2.98 1059 974 A 20 ASN HBy A 20 ASN HD2y 1.0 1.8 2.98 1060 974 A 20 ASN HD2x A 20 ASN HBx 1.0 1.8 2.98 1061 974 A 20 ASN HD2x A 20 ASN HBy 1.0 1.8 2.98 1062 975 A 21 TYR HE% A 26 PHE HBx 1.0 1.8 3.88 1063 975 A 21 TYR HE% A 26 PHE HBy 1.0 1.8 3.88 1064 976 A 22 ASP HA A 23 GLN HGy 1.0 1.8 5.34 1065 976 A 22 ASP HA A 23 GLN HGx 1.0 1.8 5.34 1066 977 A 22 ASP HBx A 25 LYS HGy 1.0 1.8 4.41 1067 977 A 22 ASP HBx A 25 LYS HGx 1.0 1.8 4.41 1068 978 A 23 GLN H A 23 GLN HGy 1.0 1.8 3.55 1069 978 A 23 GLN H A 23 GLN HGx 1.0 1.8 3.55 1070 979 A 23 GLN H A 23 GLN HE2y 1.0 1.8 5.34 1071 979 A 23 GLN H A 23 GLN HE2x 1.0 1.8 5.34 1072 980 A 23 GLN HA A 23 GLN HGy 1.0 1.8 3.22 1073 980 A 23 GLN HA A 23 GLN HGx 1.0 1.8 3.22 1074 981 A 23 GLN HA A 26 PHE HBx 1.0 1.8 3.19 1075 981 A 23 GLN HA A 26 PHE HBy 1.0 1.8 3.19 1076 982 A 24 SER H A 23 GLN HGy 1.0 1.8 4.39 1077 982 A 24 SER H A 23 GLN HGx 1.0 1.8 4.39 1078 983 A 26 PHE HD% A 23 GLN HE2y 1.0 1.8 4.55 1079 983 A 26 PHE HD% A 23 GLN HE2x 1.0 1.8 4.55 1080 984 A 24 SER H A 24 SER HBy 1.0 1.8 3.06 1081 984 A 24 SER H A 24 SER HBx 1.0 1.8 3.06 1082 985 A 24 SER HA A 27 GLU HGx 1.0 1.8 5.13 1083 985 A 24 SER HA A 27 GLU HGy 1.0 1.8 5.13 1084 986 A 25 LYS H A 24 SER HBy 1.0 1.8 4.01 1085 986 A 25 LYS H A 24 SER HBx 1.0 1.8 4.01 1086 987 A 25 LYS H A 26 PHE HBx 1.0 1.8 4.87 1087 987 A 25 LYS H A 26 PHE HBy 1.0 1.8 4.87 1088 988 A 25 LYS HA A 25 LYS HGy 1.0 1.8 3.70 1089 988 A 25 LYS HA A 25 LYS HGx 1.0 1.8 3.70 1090 989 A 25 LYS HA A 25 LYS HDx 1.0 1.8 3.80 1091 989 A 25 LYS HA A 25 LYS HDy 1.0 1.8 3.80 1092 990 A 25 LYS HA A 25 LYS HEx 1.0 1.8 5.18 1093 990 A 25 LYS HA A 25 LYS HEy 1.0 1.8 5.18 1094 991 A 25 LYS HA A 28 GLU HBy 1.0 1.8 3.54 1095 991 A 25 LYS HA A 28 GLU HBx 1.0 1.8 3.54 1096 992 A 27 GLU HA A 27 GLU HGx 1.0 1.8 3.30 1097 992 A 27 GLU HA A 27 GLU HGy 1.0 1.8 3.30 1098 993 A 27 GLU HA A 31 GLU HGx 1.0 1.8 4.91 1099 993 A 27 GLU HA A 31 GLU HGy 1.0 1.8 4.91 1100 994 A 30 VAL HGy% A 27 GLU HGx 1.0 1.8 4.82 1101 994 A 30 VAL HGy% A 27 GLU HGy 1.0 1.8 4.82 1102 995 A 28 GLU H A 28 GLU HBy 1.0 1.8 3.10 1103 995 A 28 GLU H A 28 GLU HBx 1.0 1.8 3.10 1104 996 A 28 GLU HA A 31 GLU HBy 1.0 1.8 3.55 1105 996 A 28 GLU HA A 31 GLU HBx 1.0 1.8 3.55 1106 997 A 28 GLU HA A 31 GLU HGx 1.0 1.8 4.14 1107 997 A 28 GLU HA A 31 GLU HGy 1.0 1.8 4.14 1108 998 A 29 HIS H A 28 GLU HBy 1.0 1.8 3.63 1109 998 A 29 HIS H A 28 GLU HBx 1.0 1.8 3.63 1110 999 A 29 HIS HA A 28 GLU HBy 1.0 1.8 5.22 1111 999 A 29 HIS HA A 28 GLU HBx 1.0 1.8 5.22 1112 1000 A 30 VAL H A 28 GLU HBy 1.0 1.8 5.34 1113 1000 A 30 VAL H A 28 GLU HBx 1.0 1.8 5.34 1114 1001 A 29 HIS HA A 32 SER HBy 1.0 1.8 3.78 1115 1001 A 29 HIS HA A 32 SER HBx 1.0 1.8 3.78 1116 1002 A 30 VAL H A 29 HIS HBy 1.0 1.8 3.48 1117 1002 A 30 VAL H A 29 HIS HBx 1.0 1.8 3.48 1118 1003 A 30 VAL H A 31 GLU HBy 1.0 1.8 4.82 1119 1003 A 30 VAL H A 31 GLU HBx 1.0 1.8 4.82 1120 1004 A 30 VAL H A 31 GLU HGx 1.0 1.8 5.34 1121 1004 A 30 VAL H A 31 GLU HGy 1.0 1.8 5.34 1122 1005 A 31 GLU H A 31 GLU HBy 1.0 1.8 3.02 1123 1005 A 31 GLU H A 31 GLU HBx 1.0 1.8 3.02 1124 1006 A 31 GLU HA A 31 GLU HGx 1.0 1.8 3.43 1125 1006 A 31 GLU HA A 31 GLU HGy 1.0 1.8 3.43 1126 1007 A 32 SER H A 31 GLU HGx 1.0 1.8 4.32 1127 1007 A 32 SER H A 31 GLU HGy 1.0 1.8 4.32 1128 1008 A 32 SER H A 32 SER HBy 1.0 1.8 3.21 1129 1008 A 32 SER H A 32 SER HBx 1.0 1.8 3.21 1130 1009 A 35 LYS H A 35 LYS HBy 1.0 1.8 3.52 1131 1009 A 35 LYS H A 35 LYS HBx 1.0 1.8 3.52 1132 1010 A 35 LYS H A 35 LYS HGy 1.0 1.8 4.10 1133 1010 A 35 LYS H A 35 LYS HGx 1.0 1.8 4.10 1134 1011 A 35 LYS HA A 35 LYS HGy 1.0 1.8 3.65 1135 1011 A 35 LYS HA A 35 LYS HGx 1.0 1.8 3.65 1136 1012 A 35 LYS HBx A 35 LYS HDx 1.0 1.8 3.34 1137 1012 A 35 LYS HBy A 35 LYS HDx 1.0 1.8 3.34 1138 1012 A 35 LYS HDy A 35 LYS HBy 1.0 1.8 3.34 1139 1012 A 35 LYS HBx A 35 LYS HDy 1.0 1.8 3.34 1140 1013 A 44 PHE H A 35 LYS HBy 1.0 1.8 4.11 1141 1013 A 44 PHE H A 35 LYS HBx 1.0 1.8 4.11 1142 1014 A 44 PHE HBx A 35 LYS HBy 1.0 1.8 4.40 1143 1014 A 44 PHE HBx A 35 LYS HBx 1.0 1.8 4.40 1144 1015 A 44 PHE HD% A 35 LYS HBy 1.0 1.8 4.52 1145 1015 A 44 PHE HD% A 35 LYS HBx 1.0 1.8 4.52 1146 1016 A 53 PHE HD% A 35 LYS HBy 1.0 1.8 4.99 1147 1016 A 53 PHE HD% A 35 LYS HBx 1.0 1.8 4.99 1148 1017 A 36 VAL H A 35 LYS HGy 1.0 1.8 5.34 1149 1017 A 36 VAL H A 35 LYS HGx 1.0 1.8 5.34 1150 1018 A 46 PRO HA A 35 LYS HGy 1.0 1.8 5.34 1151 1018 A 46 PRO HA A 35 LYS HGx 1.0 1.8 5.34 1152 1019 A 36 VAL HB A 43 GLN HGy 1.0 1.8 3.92 1153 1019 A 36 VAL HB A 43 GLN HGx 1.0 1.8 3.92 1154 1020 A 36 VAL HGx% A 43 GLN HGy 1.0 1.8 4.24 1155 1020 A 36 VAL HGx% A 43 GLN HGx 1.0 1.8 4.24 1156 1021 A 36 VAL HGx% A 43 GLN HE2y 1.0 1.8 5.25 1157 1021 A 36 VAL HGx% A 43 GLN HE2x 1.0 1.8 5.25 1158 1022 A 36 VAL HGy% A 41 SER HBy 1.0 1.8 4.64 1159 1022 A 36 VAL HGy% A 41 SER HBx 1.0 1.8 4.64 1160 1023 A 36 VAL HGy% A 43 GLN HGy 1.0 1.8 3.93 1161 1023 A 36 VAL HGy% A 43 GLN HGx 1.0 1.8 3.93 1162 1024 A 36 VAL HGy% A 43 GLN HE2y 1.0 1.8 4.96 1163 1024 A 36 VAL HGy% A 43 GLN HE2x 1.0 1.8 4.96 1164 1025 A 39 MET H A 37 CYS HBx 1.0 1.8 4.59 1165 1025 A 39 MET H A 37 CYS HBy 1.0 1.8 4.59 1166 1026 A 40 CYS H A 37 CYS HBx 1.0 1.8 3.51 1167 1026 A 40 CYS H A 37 CYS HBy 1.0 1.8 3.51 1168 1027 A 41 SER H A 37 CYS HBx 1.0 1.8 3.53 1169 1027 A 41 SER H A 37 CYS HBy 1.0 1.8 3.53 1170 1028 A 41 SER HA A 37 CYS HBx 1.0 1.8 4.42 1171 1028 A 41 SER HA A 37 CYS HBy 1.0 1.8 4.42 1172 1029 A 42 GLU H A 37 CYS HBx 1.0 1.8 3.49 1173 1029 A 42 GLU H A 37 CYS HBy 1.0 1.8 3.49 1174 1030 A 44 PHE HE% A 37 CYS HBx 1.0 1.8 4.32 1175 1030 A 44 PHE HE% A 37 CYS HBy 1.0 1.8 4.32 1176 1031 A 53 PHE HE% A 37 CYS HBx 1.0 1.8 4.61 1177 1031 A 53 PHE HE% A 37 CYS HBy 1.0 1.8 4.61 1178 1032 A 56 HIS HD2 A 37 CYS HBx 1.0 1.8 3.88 1179 1032 A 56 HIS HD2 A 37 CYS HBy 1.0 1.8 3.88 1180 1033 A 39 MET H A 38 PRO HGy 1.0 1.8 4.05 1181 1033 A 39 MET H A 38 PRO HGx 1.0 1.8 4.05 1182 1034 A 39 MET H A 39 MET HBx 1.0 1.8 3.39 1183 1034 A 39 MET H A 39 MET HBy 1.0 1.8 3.39 1184 1035 A 39 MET H A 39 MET HGy 1.0 1.8 3.82 1185 1035 A 39 MET H A 39 MET HGx 1.0 1.8 3.82 1186 1036 A 39 MET HE% A 39 MET HBx 1.0 1.8 3.40 1187 1036 A 39 MET HE% A 39 MET HBy 1.0 1.8 3.40 1188 1037 A 40 CYS H A 39 MET HBx 1.0 1.8 3.58 1189 1037 A 40 CYS H A 39 MET HBy 1.0 1.8 3.58 1190 1038 A 40 CYS HBx A 39 MET HBx 1.0 1.8 4.26 1191 1038 A 40 CYS HBx A 39 MET HBy 1.0 1.8 4.26 1192 1039 A 60 HIS HE1 A 39 MET HBx 1.0 1.8 4.43 1193 1039 A 60 HIS HE1 A 39 MET HBy 1.0 1.8 4.43 1194 1040 A 42 GLU HA A 43 GLN HGy 1.0 1.8 3.82 1195 1040 A 42 GLU HA A 43 GLN HGx 1.0 1.8 3.82 1196 1041 A 43 GLN H A 43 GLN HGy 1.0 1.8 3.77 1197 1041 A 43 GLN H A 43 GLN HGx 1.0 1.8 3.77 1198 1042 A 43 GLN HE2y A 43 GLN HGy 1.0 1.8 3.20 1199 1042 A 43 GLN HE2x A 43 GLN HGy 1.0 1.8 3.20 1200 1042 A 43 GLN HGx A 43 GLN HE2y 1.0 1.8 3.20 1201 1042 A 43 GLN HGx A 43 GLN HE2x 1.0 1.8 3.20 1202 1043 A 44 PHE HD% A 52 VAL HGy% 1.0 1.8 4.89 1203 1043 A 44 PHE HD% A 52 VAL HGx% 1.0 1.8 4.89 1204 1044 A 45 PRO HA A 46 PRO HGy 1.0 1.8 4.24 1205 1044 A 45 PRO HA A 46 PRO HGx 1.0 1.8 4.24 1206 1045 A 47 ASP H A 45 PRO HGy 1.0 1.8 4.33 1207 1045 A 47 ASP H A 45 PRO HGx 1.0 1.8 4.33 1208 1046 A 48 TYR H A 45 PRO HGy 1.0 1.8 4.55 1209 1046 A 48 TYR H A 45 PRO HGx 1.0 1.8 4.55 1210 1047 A 48 TYR HA A 45 PRO HGy 1.0 1.8 4.53 1211 1047 A 48 TYR HA A 45 PRO HGx 1.0 1.8 4.53 1212 1048 A 48 TYR HBx A 45 PRO HGy 1.0 1.8 3.90 1213 1048 A 48 TYR HBx A 45 PRO HGx 1.0 1.8 3.90 1214 1049 A 48 TYR HD% A 45 PRO HGy 1.0 1.8 4.16 1215 1049 A 48 TYR HD% A 45 PRO HGx 1.0 1.8 4.16 1216 1050 A 48 TYR HE% A 45 PRO HGy 1.0 1.8 4.31 1217 1050 A 48 TYR HE% A 45 PRO HGx 1.0 1.8 4.31 1218 1051 A 47 ASP H A 46 PRO HGy 1.0 1.8 4.30 1219 1051 A 47 ASP H A 46 PRO HGx 1.0 1.8 4.30 1220 1052 A 48 TYR HA A 47 ASP HBy 1.0 1.8 4.86 1221 1052 A 48 TYR HA A 47 ASP HBx 1.0 1.8 4.86 1222 1053 A 48 TYR HD% A 52 VAL HGy% 1.0 1.8 4.31 1223 1053 A 48 TYR HD% A 52 VAL HGx% 1.0 1.8 4.31 1224 1054 A 48 TYR HE% A 52 VAL HGy% 1.0 1.8 3.30 1225 1054 A 48 TYR HE% A 52 VAL HGx% 1.0 1.8 3.30 1226 1055 A 49 ASP HA A 50 GLN HBy 1.0 1.8 4.53 1227 1055 A 49 ASP HA A 50 GLN HBx 1.0 1.8 4.53 1228 1056 A 49 ASP HA A 50 GLN HGy 1.0 1.8 5.34 1229 1056 A 49 ASP HA A 50 GLN HGx 1.0 1.8 5.34 1230 1057 A 49 ASP HA A 52 VAL HGy% 1.0 1.8 4.68 1231 1057 A 49 ASP HA A 52 VAL HGx% 1.0 1.8 4.68 1232 1058 A 49 ASP HBx A 52 VAL HGy% 1.0 1.8 3.37 1233 1058 A 49 ASP HBx A 52 VAL HGx% 1.0 1.8 3.37 1234 1059 A 49 ASP HBy A 52 VAL HGy% 1.0 1.8 3.51 1235 1059 A 49 ASP HBy A 52 VAL HGx% 1.0 1.8 3.51 1236 1060 A 50 GLN H A 50 GLN HBy 1.0 1.8 3.05 1237 1060 A 50 GLN H A 50 GLN HBx 1.0 1.8 3.05 1238 1061 A 50 GLN H A 50 GLN HGy 1.0 1.8 3.98 1239 1061 A 50 GLN H A 50 GLN HGx 1.0 1.8 3.98 1240 1062 A 50 GLN H A 50 GLN HE2x 1.0 1.8 5.34 1241 1062 A 50 GLN H A 50 GLN HE2y 1.0 1.8 5.34 1242 1063 A 50 GLN H A 51 GLN HBy 1.0 1.8 4.79 1243 1063 A 50 GLN H A 51 GLN HBx 1.0 1.8 4.79 1244 1064 A 50 GLN HA A 50 GLN HGy 1.0 1.8 3.49 1245 1064 A 50 GLN HA A 50 GLN HGx 1.0 1.8 3.49 1246 1065 A 50 GLN HA A 54 GLU HGx 1.0 1.8 4.18 1247 1065 A 50 GLN HA A 54 GLU HGy 1.0 1.8 4.18 1248 1066 A 50 GLN HE2y A 50 GLN HBx 1.0 1.8 4.54 1249 1066 A 50 GLN HE2x A 50 GLN HBy 1.0 1.8 4.54 1250 1066 A 50 GLN HE2y A 50 GLN HBy 1.0 1.8 4.54 1251 1066 A 50 GLN HE2x A 50 GLN HBx 1.0 1.8 4.54 1252 1067 A 51 GLN H A 50 GLN HBy 1.0 1.8 3.37 1253 1067 A 51 GLN H A 50 GLN HBx 1.0 1.8 3.37 1254 1068 A 51 GLN H A 50 GLN HGy 1.0 1.8 4.40 1255 1068 A 51 GLN H A 50 GLN HGx 1.0 1.8 4.40 1256 1069 A 50 GLN HE2x A 54 GLU HGy 1.0 1.8 3.39 1257 1069 A 50 GLN HE2x A 54 GLU HGx 1.0 1.8 3.39 1258 1069 A 50 GLN HE2y A 54 GLU HGy 1.0 1.8 3.39 1259 1069 A 50 GLN HE2y A 54 GLU HGx 1.0 1.8 3.39 1260 1070 A 51 GLN H A 51 GLN HBy 1.0 1.8 3.00 1261 1070 A 51 GLN H A 51 GLN HBx 1.0 1.8 3.00 1262 1071 A 51 GLN H A 51 GLN HGy 1.0 1.8 3.28 1263 1071 A 51 GLN H A 51 GLN HGx 1.0 1.8 3.28 1264 1072 A 51 GLN H A 52 VAL HGy% 1.0 1.8 4.34 1265 1072 A 51 GLN H A 52 VAL HGx% 1.0 1.8 4.34 1266 1073 A 51 GLN HA A 51 GLN HGy 1.0 1.8 3.42 1267 1073 A 51 GLN HA A 51 GLN HGx 1.0 1.8 3.42 1268 1074 A 52 VAL H A 51 GLN HBy 1.0 1.8 3.67 1269 1074 A 52 VAL H A 51 GLN HBx 1.0 1.8 3.67 1270 1075 A 52 VAL H A 51 GLN HGy 1.0 1.8 4.42 1271 1075 A 52 VAL H A 51 GLN HGx 1.0 1.8 4.42 1272 1076 A 52 VAL H A 52 VAL HGy% 1.0 1.8 3.04 1273 1076 A 52 VAL H A 52 VAL HGx% 1.0 1.8 3.04 1274 1077 A 52 VAL HA A 52 VAL HGy% 1.0 1.8 2.86 1275 1077 A 52 VAL HA A 52 VAL HGx% 1.0 1.8 2.86 1276 1078 A 52 VAL HA A 55 ARG HDx 1.0 1.8 4.20 1277 1078 A 52 VAL HA A 55 ARG HDy 1.0 1.8 4.20 1278 1079 A 53 PHE H A 52 VAL HGy% 1.0 1.8 3.58 1279 1079 A 53 PHE H A 52 VAL HGx% 1.0 1.8 3.58 1280 1080 A 53 PHE HA A 52 VAL HGy% 1.0 1.8 4.20 1281 1080 A 53 PHE HA A 52 VAL HGx% 1.0 1.8 4.20 1282 1081 A 53 PHE H A 54 GLU HGx 1.0 1.8 4.80 1283 1081 A 53 PHE H A 54 GLU HGy 1.0 1.8 4.80 1284 1082 A 53 PHE HA A 56 HIS HBy 1.0 1.8 3.45 1285 1082 A 53 PHE HA A 56 HIS HBx 1.0 1.8 3.45 1286 1083 A 53 PHE HD% A 54 GLU HGx 1.0 1.8 4.46 1287 1083 A 53 PHE HD% A 54 GLU HGy 1.0 1.8 4.46 1288 1084 A 53 PHE HD% A 56 HIS HBy 1.0 1.8 4.99 1289 1084 A 53 PHE HD% A 56 HIS HBx 1.0 1.8 4.99 1290 1085 A 54 GLU H A 54 GLU HGx 1.0 1.8 3.39 1291 1085 A 54 GLU H A 54 GLU HGy 1.0 1.8 3.39 1292 1086 A 54 GLU H A 55 ARG HDx 1.0 1.8 5.34 1293 1086 A 54 GLU H A 55 ARG HDy 1.0 1.8 5.34 1294 1087 A 54 GLU HA A 54 GLU HGx 1.0 1.8 3.21 1295 1087 A 54 GLU HA A 54 GLU HGy 1.0 1.8 3.21 1296 1088 A 54 GLU HBx A 55 ARG HDx 1.0 1.8 4.37 1297 1088 A 54 GLU HBx A 55 ARG HDy 1.0 1.8 4.37 1298 1089 A 55 ARG H A 55 ARG HGy 1.0 1.8 3.88 1299 1089 A 55 ARG H A 55 ARG HGx 1.0 1.8 3.88 1300 1090 A 55 ARG H A 55 ARG HDx 1.0 1.8 3.64 1301 1090 A 55 ARG H A 55 ARG HDy 1.0 1.8 3.64 1302 1091 A 55 ARG HA A 55 ARG HGy 1.0 1.8 3.43 1303 1091 A 55 ARG HA A 55 ARG HGx 1.0 1.8 3.43 1304 1092 A 55 ARG HA A 55 ARG HDx 1.0 1.8 4.38 1305 1092 A 55 ARG HA A 55 ARG HDy 1.0 1.8 4.38 1306 1093 A 56 HIS H A 55 ARG HGy 1.0 1.8 5.24 1307 1093 A 56 HIS H A 55 ARG HGx 1.0 1.8 5.24 1308 1094 A 56 HIS H A 55 ARG HDx 1.0 1.8 4.67 1309 1094 A 56 HIS H A 55 ARG HDy 1.0 1.8 4.67 1310 1095 A 56 HIS H A 56 HIS HBy 1.0 1.8 3.04 1311 1095 A 56 HIS H A 56 HIS HBx 1.0 1.8 3.04 1312 1096 A 57 VAL H A 56 HIS HBy 1.0 1.8 3.59 1313 1096 A 57 VAL H A 56 HIS HBx 1.0 1.8 3.59 1314 1097 A 58 GLN HA A 61 PHE HBx 1.0 1.8 3.76 1315 1097 A 58 GLN HA A 61 PHE HBy 1.0 1.8 3.76 1316 1098 A 58 GLN HE2x A 61 PHE HBx 1.0 1.8 4.50 1317 1098 A 58 GLN HE2x A 61 PHE HBy 1.0 1.8 4.50 1318 1099 A 58 GLN HE2y A 61 PHE HBx 1.0 1.8 3.95 1319 1099 A 58 GLN HE2y A 61 PHE HBy 1.0 1.8 3.95 1320 1100 A 61 PHE H A 61 PHE HBx 1.0 1.8 3.14 1321 1100 A 61 PHE H A 61 PHE HBy 1.0 1.8 3.14 1322 1101 A 63 GLN H A 63 GLN HBy 1.0 1.8 3.35 1323 1101 A 63 GLN H A 63 GLN HBx 1.0 1.8 3.35 1324 1102 A 63 GLN H A 63 GLN HGy 1.0 1.8 4.34 1325 1102 A 63 GLN H A 63 GLN HGx 1.0 1.8 4.34 1326 1103 A 63 GLN H A 63 GLN HE2y 1.0 1.8 4.82 1327 1103 A 63 GLN H A 63 GLN HE2x 1.0 1.8 4.82 1328 1104 A 63 GLN HA A 63 GLN HGy 1.0 1.8 3.72 1329 1104 A 63 GLN HA A 63 GLN HGx 1.0 1.8 3.72 1330 1105 A 64 ASN H A 63 GLN HBy 1.0 1.8 4.41 1331 1105 A 64 ASN H A 63 GLN HBx 1.0 1.8 4.41 1332 1106 A 64 ASN H A 64 ASN HBy 1.0 1.8 3.51 1333 1106 A 64 ASN H A 64 ASN HBx 1.0 1.8 3.51 1334 1107 A 64 ASN H A 65 VAL HGy% 1.0 1.8 4.47 1335 1107 A 64 ASN H A 65 VAL HGx% 1.0 1.8 4.47 1336 1108 A 64 ASN HA A 65 VAL HGy% 1.0 1.8 4.46 1337 1108 A 64 ASN HA A 65 VAL HGx% 1.0 1.8 4.46 1338 1109 A 64 ASN HBx A 64 ASN HD2y 1.0 1.8 3.16 1339 1109 A 64 ASN HBy A 64 ASN HD2y 1.0 1.8 3.16 1340 1109 A 64 ASN HD2x A 64 ASN HBy 1.0 1.8 3.16 1341 1109 A 64 ASN HBx A 64 ASN HD2x 1.0 1.8 3.16 1342 1110 A 65 VAL H A 65 VAL HGy% 1.0 1.8 4.06 1343 1110 A 65 VAL H A 65 VAL HGx% 1.0 1.8 4.06 1344 1111 A 66 LEU H A 65 VAL HGy% 1.0 1.8 4.52 1345 1111 A 66 LEU H A 65 VAL HGx% 1.0 1.8 4.52 1346 1112 A 66 LEU H A 66 LEU HDy% 1.0 1.8 5.31 1347 1112 A 66 LEU H A 66 LEU HDx% 1.0 1.8 5.31 1348 1113 A 67 ASN H A 66 LEU HDy% 1.0 1.8 5.44 1349 1113 A 67 ASN H A 66 LEU HDx% 1.0 1.8 5.44 1350 1114 A 67 ASN H A 67 ASN HBy 1.0 1.8 3.44 1351 1114 A 67 ASN H A 67 ASN HBx 1.0 1.8 3.44 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 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 HIS C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -165.5 -63.5 PHI 2 2 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 LYS N 1.0 79.5 153.9 PSI 3 3 A 8 LYS C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -132.9 -92.9 PHI 4 4 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 CYS N 1.0 104.0 144.0 PSI 5 5 A 9 LYS C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -150.0 -36.2 PHI 6 6 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 PRO N 1.0 98.5 150.7 PSI 7 7 A 12 LEU C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -170.9 -82.5 PHI 8 8 A 15 LEU C A 16 MET N A 16 MET CA A 16 MET C 1.0 -147.6 -86.0 PHI 9 9 A 16 MET N A 16 MET CA A 16 MET C A 17 PHE N 1.0 126.5 178.1 PSI 10 10 A 16 MET C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -140.0 -51.6 PHI 11 11 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 PRO N 1.0 91.8 166.6 PSI 12 12 A 19 PRO C A 20 ASN N A 20 ASN CA A 20 ASN C 1.0 -115.7 -56.9 PHI 13 13 A 20 ASN N A 20 ASN CA A 20 ASN C A 21 TYR N 1.0 -27.4 24.4 PSI 14 14 A 20 ASN C A 21 TYR N A 21 TYR CA A 21 TYR C 1.0 -110.7 -62.5 PHI 15 15 A 21 TYR N A 21 TYR CA A 21 TYR C A 22 ASP N 1.0 110.0 152.8 PSI 16 16 A 21 TYR C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -109.6 -54.2 PHI 17 17 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 GLN N 1.0 75.5 168.5 PSI 18 18 A 22 ASP C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -81.0 -41.0 PHI 19 19 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 SER N 1.0 -56.4 -8.0 PSI 20 20 A 23 GLN C A 24 SER N A 24 SER CA A 24 SER C 1.0 -82.3 -42.3 PHI 21 21 A 24 SER N A 24 SER CA A 24 SER C A 25 LYS N 1.0 -59.2 -19.2 PSI 22 22 A 24 SER C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -85.9 -45.9 PHI 23 23 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 PHE N 1.0 -60.4 -20.4 PSI 24 24 A 25 LYS C A 26 PHE N A 26 PHE CA A 26 PHE C 1.0 -85.8 -45.8 PHI 25 25 A 26 PHE N A 26 PHE CA A 26 PHE C A 27 GLU N 1.0 -63.3 -23.3 PSI 26 26 A 26 PHE C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -78.9 -38.9 PHI 27 27 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 GLU N 1.0 -64.2 -24.2 PSI 28 28 A 27 GLU C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -82.1 -42.1 PHI 29 29 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 HIS N 1.0 -64.3 -24.3 PSI 30 30 A 28 GLU C A 29 HIS N A 29 HIS CA A 29 HIS C 1.0 -85.1 -45.1 PHI 31 31 A 29 HIS N A 29 HIS CA A 29 HIS C A 30 VAL N 1.0 -60.6 -17.4 PSI 32 32 A 29 HIS C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -88.7 -46.3 PHI 33 33 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 GLU N 1.0 -65.0 -21.8 PSI 34 34 A 30 VAL C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -87.1 -47.1 PHI 35 35 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 SER N 1.0 -66.5 7.3 PSI 36 36 A 31 GLU C A 32 SER N A 32 SER CA A 32 SER C 1.0 -86.5 -46.5 PHI 37 37 A 32 SER N A 32 SER CA A 32 SER C A 33 HIS N 1.0 -59.1 -3.3 PSI 38 38 A 32 SER C A 33 HIS N A 33 HIS CA A 33 HIS C 1.0 -125.4 -52.0 PHI 39 39 A 33 HIS N A 33 HIS CA A 33 HIS C A 34 TRP N 1.0 -58.7 17.9 PSI 40 40 A 35 LYS C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -135.8 -95.8 PHI 41 41 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 CYS N 1.0 102.3 144.5 PSI 42 42 A 36 VAL C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -146.1 -44.1 PHI 43 43 A 37 CYS N A 37 CYS CA A 37 CYS C A 38 PRO N 1.0 89.3 161.1 PSI 44 44 A 38 PRO C A 39 MET N A 39 MET CA A 39 MET C 1.0 -114.0 -69.8 PHI 45 45 A 39 MET N A 39 MET CA A 39 MET C A 40 CYS N 1.0 -49.3 9.7 PSI 46 46 A 42 GLU C A 43 GLN N A 43 GLN CA A 43 GLN C 1.0 -154.0 -90.0 PHI 47 47 A 43 GLN N A 43 GLN CA A 43 GLN C A 44 PHE N 1.0 128.0 174.2 PSI 48 48 A 43 GLN C A 44 PHE N A 44 PHE CA A 44 PHE C 1.0 -146.0 -58.0 PHI 49 49 A 44 PHE N A 44 PHE CA A 44 PHE C A 45 PRO N 1.0 83.4 162.4 PSI 50 50 A 46 PRO C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -112.0 -72.0 PHI 51 51 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 TYR N 1.0 -18.4 21.6 PSI 52 52 A 47 ASP C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -145.0 -25.4 PHI 53 53 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 ASP N 1.0 60.4 199.6 PSI 54 54 A 48 TYR C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -109.6 -54.2 PHI 55 55 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 GLN N 1.0 75.5 168.5 PSI 56 56 A 49 ASP C A 50 GLN N A 50 GLN CA A 50 GLN C 1.0 -79.5 -39.5 PHI 57 57 A 50 GLN N A 50 GLN CA A 50 GLN C A 51 GLN N 1.0 -52.4 -9.2 PSI 58 58 A 50 GLN C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -83.1 -43.1 PHI 59 59 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 VAL N 1.0 -60.2 -20.2 PSI 60 60 A 51 GLN C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -88.1 -48.1 PHI 61 61 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 PHE N 1.0 -63.1 -23.1 PSI 62 62 A 52 VAL C A 53 PHE N A 53 PHE CA A 53 PHE C 1.0 -81.3 -41.3 PHI 63 63 A 53 PHE N A 53 PHE CA A 53 PHE C A 54 GLU N 1.0 -64.2 -24.2 PSI 64 64 A 53 PHE C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -81.1 -41.1 PHI 65 65 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 ARG N 1.0 -62.7 -22.7 PSI 66 66 A 54 GLU C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -84.2 -44.2 PHI 67 67 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 HIS N 1.0 -61.6 -21.6 PSI 68 68 A 55 ARG C A 56 HIS N A 56 HIS CA A 56 HIS C 1.0 -84.9 -44.9 PHI 69 69 A 56 HIS N A 56 HIS CA A 56 HIS C A 57 VAL N 1.0 -57.6 -17.6 PSI 70 70 A 56 HIS C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -89.0 -48.6 PHI 71 71 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 GLN N 1.0 -63.0 -20.6 PSI 72 72 A 57 VAL C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -82.5 -42.5 PHI 73 73 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 THR N 1.0 -59.0 -17.4 PSI 74 74 A 58 GLN C A 59 THR N A 59 THR CA A 59 THR C 1.0 -87.2 -47.2 PHI 75 75 A 59 THR N A 59 THR CA A 59 THR C A 60 HIS N 1.0 -57.1 -17.1 PSI 76 76 A 59 THR C A 60 HIS N A 60 HIS CA A 60 HIS C 1.0 -103.4 -57.6 PHI 77 77 A 60 HIS N A 60 HIS CA A 60 HIS C A 61 PHE N 1.0 -41.3 14.9 PSI 78 78 A 60 HIS C A 61 PHE N A 61 PHE CA A 61 PHE C 1.0 -121.4 -81.4 PHI 79 79 A 61 PHE N A 61 PHE CA A 61 PHE C A 62 ASP N 1.0 -36.7 37.5 PSI 80 80 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 GLN N 1.0 -72.5 12.5 PSI stop_ save_