data_nef_c16684_2kt6 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 3L48 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 63 CYS SG 1 81 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 VAL start . . 2 A 2 LEU middle . . 3 A 3 LYS middle . . 4 A 4 GLY middle . false 5 A 5 LYS middle . . 6 A 6 ARG middle . . 7 A 7 LEU middle . . 8 A 8 PHE middle . . 9 A 9 ALA middle . . 10 A 10 ILE middle . . 11 A 11 LEU middle . . 12 A 12 ARG middle . . 13 A 13 LEU middle . . 14 A 14 ALA middle . . 15 A 15 ASP middle . . 16 A 16 GLY middle . false 17 A 17 SER middle . . 18 A 18 GLN middle . . 19 A 19 PRO middle . false 20 A 20 PRO middle . false 21 A 21 PHE middle . . 22 A 22 GLY middle . false 23 A 23 ALA middle . . 24 A 24 SER middle . . 25 A 25 VAL middle . . 26 A 26 THR middle . . 27 A 27 SER middle . . 28 A 28 GLU middle . . 29 A 29 LYS middle . . 30 A 30 GLY middle . false 31 A 31 ARG middle . . 32 A 32 GLU middle . . 33 A 33 LEU middle . . 34 A 34 GLY middle . false 35 A 35 MET middle . . 36 A 36 VAL middle . . 37 A 37 ALA middle . . 38 A 38 ASP middle . . 39 A 39 GLU middle . . 40 A 40 GLY middle . false 41 A 41 LEU middle . . 42 A 42 ALA middle . . 43 A 43 TRP middle . . 44 A 44 LEU middle . . 45 A 45 SER middle . . 46 A 46 GLY middle . false 47 A 47 VAL middle . . 48 A 48 THR middle . . 49 A 49 PRO middle . false 50 A 50 GLY middle . false 51 A 51 GLU middle . . 52 A 52 THR middle . . 53 A 53 LEU middle . . 54 A 54 SER middle . . 55 A 55 VAL middle . . 56 A 56 ASN middle . . 57 A 57 TRP middle . . 58 A 58 ASP middle . . 59 A 59 GLY middle . false 60 A 60 LYS middle . . 61 A 61 ILE middle . . 62 A 62 GLN middle . . 63 A 63 CYS middle -HG . 64 A 64 GLN middle . . 65 A 65 VAL middle . . 66 A 66 ASN middle . . 67 A 67 VAL middle . . 68 A 68 PRO middle . false 69 A 69 GLU middle . . 70 A 70 THR middle . . 71 A 71 ALA middle . . 72 A 72 ILE middle . . 73 A 73 SER middle . . 74 A 74 ASP middle . . 75 A 75 GLN middle . . 76 A 76 GLN middle . . 77 A 77 LEU middle . . 78 A 78 LEU middle . . 79 A 79 LEU middle . . 80 A 80 PRO middle . false 81 A 81 CYS middle -HG . 82 A 82 THR middle . . 83 A 83 PRO middle . false 84 A 84 GLN middle . . 85 A 85 LYS end . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list 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 VAL C C 13 176.844670508000 0.0121894528065 A 2 LEU H H 1 8.236096863320 0.00868931784468 A 2 LEU HA H 1 4.339514340300 0.0160408640697 A 2 LEU HB3 H 1 1.597230522700 0.0192194818891 A 2 LEU C C 13 178.996933557000 0.00654490529189 A 2 LEU CA C 13 55.221145339600 0.0304094086515 A 2 LEU N N 15 126.145441724000 0.0587536023497 A 3 LYS H H 1 8.152172468890 0.00461379265619 A 3 LYS HA H 1 4.328340297280 0.00757795760466 A 3 LYS HB2 H 1 1.653100583160 . A 3 LYS HB3 H 1 1.653100583160 . A 3 LYS C C 13 178.560084365000 0.0227792527931 A 3 LYS CA C 13 56.447527044600 0.0448774758671 A 3 LYS CB C 13 33.370916019900 . A 3 LYS N N 15 122.827746977000 0.0609653362786 A 4 GLY H H 1 8.159763735260 0.00482566944398 A 4 GLY HAy H 1 3.918126030800 0.0126723140979 A 4 GLY HAx H 1 3.745971680060 0.0198336344917 A 4 GLY C C 13 172.357086050000 0.0282788396274 A 4 GLY CA C 13 44.976514376500 0.0698427245607 A 4 GLY N N 15 109.227043253000 0.100781055107 A 5 LYS H H 1 8.759365449070 0.0123366757082 A 5 LYS HA H 1 4.522719042250 0.0252571603376 A 5 LYS HB2 H 1 1.619148893080 0.0158844415254 A 5 LYS HB3 H 1 1.652379690320 0.0488301228363 A 5 LYS C C 13 177.119169429000 0.00432574643703 A 5 LYS CA C 13 55.354814259300 0.0620133308814 A 5 LYS CB C 13 34.480006117100 0.166451196129 A 5 LYS N N 15 120.288745866000 0.080228782212 A 6 ARG H H 1 8.170246635960 0.0118832528229 A 6 ARG HA H 1 5.135333164030 0.0250102954448 A 6 ARG HBy H 1 1.765345201320 0.0198236325193 A 6 ARG HBx H 1 1.762195129070 0.0196834726734 A 6 ARG HDy H 1 3.130060228620 0.0183362428931 A 6 ARG HDx H 1 3.056041642610 0.0176821881156 A 6 ARG HGx H 1 1.512695979340 0.00996813822709 A 6 ARG HGy H 1 1.674663249870 0.00776354917806 A 6 ARG C C 13 175.726399976000 0.0162057840388 A 6 ARG CA C 13 55.073320022100 0.113906366728 A 6 ARG CB C 13 32.336396617200 0.101498285792 A 6 ARG CD C 13 43.985156415200 0.0319496446523 A 6 ARG CG C 13 27.336219189000 0.0448328331145 A 6 ARG N N 15 122.084037959000 0.109886660199 A 7 LEU H H 1 8.528023123600 0.00521126266578 A 7 LEU HA H 1 4.636343791740 0.0498078724057 A 7 LEU HB2 H 1 1.642026106460 0.0273828633936 A 7 LEU HB3 H 1 1.642026106460 0.0273828633936 A 7 LEU HD2% H 1 0.769358095424 0.0151574172507 A 7 LEU HG H 1 1.445003877830 0.0253260631455 A 7 LEU C C 13 173.146679971000 0.0248505202701 A 7 LEU CA C 13 54.521925952600 0.190897692981 A 7 LEU CB C 13 45.853722008800 0.0860219724806 A 7 LEU N N 15 122.913899029000 0.0611696554407 A 8 PHE H H 1 8.541576797720 0.0250671677786 A 8 PHE HA H 1 4.993913241220 0.0250344457534 A 8 PHE HBy H 1 2.749379865500 0.0076897571344 A 8 PHE HBx H 1 2.508505705730 0.0213453328069 A 8 PHE C C 13 172.364172565000 . A 8 PHE CA C 13 56.008982834000 0.129115790334 A 8 PHE CB C 13 39.763488444400 0.0775390553957 A 8 PHE N N 15 124.122864400000 0.101576039561 A 9 ALA HA H 1 5.088037404650 0.0134241518188 A 9 ALA HB% H 1 1.138838531820 0.00585864626109 A 9 ALA C C 13 175.068484559000 0.00100773190587 A 9 ALA CA C 13 50.290517452600 0.050775042387 A 9 ALA CB C 13 22.128631453000 0.0480152480342 A 10 ILE H H 1 8.651375292390 0.00588551722332 A 10 ILE HA H 1 4.295418025660 0.0107319586313 A 10 ILE HB H 1 1.679014551070 0.0126461843538 A 10 ILE HD1% H 1 0.754659088948 0.0201466457398 A 10 ILE HG1y H 1 1.331340286360 . A 10 ILE HG1x H 1 1.328654705830 0.00460043710442 A 10 ILE HG2% H 1 0.753051231373 0.0226972099851 A 10 ILE C C 13 175.686023130000 0.0126851031054 A 10 ILE CA C 13 60.973575876600 0.0516875108014 A 10 ILE CB C 13 39.169276457400 0.123297840914 A 10 ILE CD1 C 13 13.906612369700 0.0446257509232 A 10 ILE CG1 C 13 27.850033450200 0.105183237937 A 10 ILE CG2 C 13 18.299779484700 0.0333461710855 A 10 ILE N N 15 122.440701742000 0.0826807545974 A 11 LEU H H 1 8.754734502180 0.0317966310177 A 11 LEU HA H 1 5.174715540050 0.0143056415256 A 11 LEU HBx H 1 0.922760678913 0.00791958298149 A 11 LEU HBy H 1 1.764236552210 0.0236689672174 A 11 LEU C C 13 179.214345400000 0.00487856493917 A 11 LEU CA C 13 54.124548857300 0.0720561341646 A 11 LEU CB C 13 44.509998575100 0.090725312417 A 11 LEU CD2 C 13 25.812425632200 0.079933941566 A 11 LEU N N 15 127.105517455000 0.114432779213 A 12 ARG H H 1 7.593289043880 0.00917569744391 A 12 ARG HA H 1 4.912316773090 0.012419448421 A 12 ARG HBy H 1 1.668223748130 0.0356692606068 A 12 ARG HBx H 1 1.608532992830 0.0133587082101 A 12 ARG HDx H 1 3.053228826330 0.0146575655066 A 12 ARG HDy H 1 3.219583572980 0.0123381490131 A 12 ARG HG2 H 1 1.538431885800 0.00624678561166 A 12 ARG HG3 H 1 1.538431885800 0.00624678561166 A 12 ARG C C 13 176.329014982000 0.011759660354 A 12 ARG CA C 13 54.025046182200 0.0515189054169 A 12 ARG CB C 13 34.510277532700 0.0718491981402 A 12 ARG N N 15 119.947601460000 0.0696115128142 A 13 LEU H H 1 8.854733975950 0.0172474428001 A 13 LEU HA H 1 5.030290459510 0.0117768494556 A 13 LEU HBy H 1 1.925172265010 0.0193458513336 A 13 LEU HBx H 1 1.844683817150 0.0246468014756 A 13 LEU HDx% H 1 0.919749043249 0.0514754534532 A 13 LEU HDy% H 1 1.077067030760 0.0121023407717 A 13 LEU HG H 1 1.724703563190 0.0179849165643 A 13 LEU C C 13 169.817758995000 0.00297997938991 A 13 LEU CA C 13 55.487477763300 0.0631940635333 A 13 LEU CB C 13 41.759962072700 0.101652510587 A 13 LEU CD1 C 13 25.956979969100 0.126582309261 A 13 LEU CG C 13 29.750933759600 0.167801608623 A 13 LEU N N 15 124.988326819000 0.105422430055 A 14 ALA H H 1 8.739339755730 0.00481773009191 A 14 ALA HA H 1 4.092482999050 0.0181389633072 A 14 ALA HB% H 1 1.531530071400 0.0161324325245 A 14 ALA C C 13 181.547527033000 0.00748513740496 A 14 ALA CA C 13 55.371509890500 0.0584599363271 A 14 ALA CB C 13 18.909193872000 0.26896743823 A 14 ALA N N 15 123.735718790000 0.0742946803916 A 15 ASP H H 1 7.850499509620 0.0109372756197 A 15 ASP HA H 1 4.560467998580 0.0129829696534 A 15 ASP HBy H 1 3.116259656090 0.0146635498377 A 15 ASP HBx H 1 2.616621979480 0.0182685733972 A 15 ASP C C 13 179.627560263000 0.0143255305518 A 15 ASP CA C 13 53.315577881900 0.0700653529363 A 15 ASP CB C 13 40.146934454500 0.149918298394 A 15 ASP N N 15 114.275422072000 0.0367031541218 A 16 GLY H H 1 8.211960312350 0.0139350032127 A 16 GLY HAy H 1 4.377981306630 0.0181718705633 A 16 GLY HAx H 1 3.596048515550 0.01736600515 A 16 GLY C C 13 173.692875369000 0.0186833170674 A 16 GLY CA C 13 45.311681151000 0.08656372053 A 16 GLY N N 15 108.852898685000 0.073289210069 A 17 SER H H 1 8.029938682000 0.00474312219726 A 17 SER HA H 1 4.429278615810 0.0177191110781 A 17 SER HBx H 1 3.887658217200 0.0174205576456 A 17 SER HBy H 1 4.057629881120 0.0182966736657 A 17 SER C C 13 170.117861279000 0.00916237952702 A 17 SER CA C 13 58.752454695600 0.151596393843 A 17 SER CB C 13 64.018243857800 0.0972088437816 A 17 SER N N 15 116.756332872000 0.0607935210032 A 18 GLN H H 1 8.216969368300 0.00723362978088 A 18 GLN HA H 1 4.962965430900 0.0142480166059 A 18 GLN HBx H 1 1.823775665830 0.0215801889969 A 18 GLN HBy H 1 1.843870890150 0.031074294523 A 18 GLN HE21 H 1 6.615340327480 0.00732434812509 A 18 GLN HE22 H 1 7.060679455620 0.00728234397357 A 18 GLN HGy H 1 2.265645436280 0.0108480282732 A 18 GLN HGx H 1 2.263792037570 0.00777502351647 A 18 GLN C C 13 171.768540099000 . A 18 GLN CA C 13 53.304992129200 0.062655624199 A 18 GLN CB C 13 29.338938717800 0.0786752836803 A 18 GLN CG C 13 33.432668137300 0.0786984791525 A 18 GLN N N 15 116.558925859000 0.0523954184711 A 18 GLN NE2 N 15 110.133165665000 0.103133865857 A 19 PRO HA H 1 3.647466145100 0.00818118603023 A 19 PRO CA C 13 60.540035696000 0.0292640631047 A 20 PRO HA H 1 4.141829640390 0.00378706213667 A 20 PRO HBy H 1 1.857611631300 0.00979044874742 A 20 PRO HBx H 1 1.646336548460 0.0424971658196 A 20 PRO HDx H 1 1.305691381070 0.0119827555598 A 20 PRO HDy H 1 2.145591006550 0.00682196496926 A 20 PRO C C 13 174.812858838000 . A 20 PRO CA C 13 61.907752503100 0.0737388801453 A 20 PRO CB C 13 32.346197764700 0.0554171788324 A 20 PRO CD C 13 48.717806722900 0.0689005059261 A 20 PRO CG C 13 23.933867612200 0.083896854063 A 21 PHE H H 1 7.988313558490 0.0144962714034 A 21 PHE HA H 1 3.921814948510 0.0140383941054 A 21 PHE HB3 H 1 2.909033554750 0.0132489381582 A 21 PHE HDx H 1 7.039600685110 0.00392592062504 A 21 PHE HDy H 1 7.039600685110 0.00392592062504 A 21 PHE HEx H 1 7.342880817150 0.0108111847782 A 21 PHE HEy H 1 7.342880817150 0.0108111847782 A 21 PHE C C 13 180.947130758000 0.00971301199921 A 21 PHE CA C 13 59.359724258600 0.0925149737109 A 21 PHE CB C 13 39.637452211300 0.103385364929 A 21 PHE CDx C 13 132.252038319000 0.0760692232529 A 21 PHE CDy C 13 132.252038319000 0.0760692232529 A 21 PHE CEx C 13 132.294419148000 0.0925087759757 A 21 PHE CEy C 13 132.294419148000 0.0925087759757 A 21 PHE N N 15 119.613523550000 0.0793707999901 A 22 GLY H H 1 8.922720902730 0.0204531639654 A 22 GLY HAy H 1 4.335862104010 0.0240573719659 A 22 GLY HAx H 1 3.496072474860 0.0171599928787 A 22 GLY C C 13 174.466439283000 0.0145445953982 A 22 GLY CA C 13 44.707224234700 0.0833042966942 A 22 GLY N N 15 118.142312126000 0.0980609235504 A 23 ALA H H 1 7.693619089100 0.00727332705178 A 23 ALA HA H 1 4.715077306430 0.013921602708 A 23 ALA HB% H 1 1.375674268740 0.0161964552262 A 23 ALA C C 13 177.861927824000 0.00349203448902 A 23 ALA CA C 13 53.199211740100 0.110543020721 A 23 ALA CB C 13 19.279929769900 0.114882072388 A 23 ALA N N 15 123.652779938000 0.0938764171848 A 24 SER H H 1 8.785059563760 0.00886022353308 A 24 SER HA H 1 4.948253302950 0.0154074258422 A 24 SER HBy H 1 3.986940504540 0.0163152718168 A 24 SER HBx H 1 3.873845103120 0.0260042922998 A 24 SER C C 13 173.876230332000 0.0195965142157 A 24 SER CA C 13 57.646849338400 0.120275143861 A 24 SER CB C 13 65.865787127900 0.0758690547045 A 24 SER N N 15 116.490445159000 0.049078970393 A 25 VAL H H 1 8.333885680220 0.00859838055006 A 25 VAL HA H 1 5.121848557230 0.0124808905838 A 25 VAL HB H 1 1.759070705140 0.0316289853085 A 25 VAL HGx% H 1 0.762475947102 0.0223128463951 A 25 VAL HGy% H 1 0.676012634735 0.0173457871977 A 25 VAL C C 13 176.810101458000 0.00400960205639 A 25 VAL CA C 13 61.414527624500 0.0764378137331 A 25 VAL CB C 13 32.429333506400 0.0878221578185 A 25 VAL CGy C 13 23.164012217700 0.040886047494 A 25 VAL CGx C 13 20.891391860400 0.0385383224094 A 25 VAL N N 15 125.187324040000 0.112200101762 A 26 THR H H 1 9.528634994810 0.00815410781098 A 26 THR HA H 1 5.432713312020 0.0133820891224 A 26 THR HB H 1 3.988038192300 0.0101103930763 A 26 THR HG2% H 1 1.021504849380 0.012656935126 A 26 THR C C 13 174.052463102000 0.0218426590798 A 26 THR CA C 13 59.245682429600 0.0912421543806 A 26 THR CB C 13 72.358210380600 0.089876084196 A 26 THR N N 15 118.988616586000 0.0894602168798 A 27 SER H H 1 9.010303437920 0.0287488991905 A 27 SER HA H 1 4.718356729250 0.015564785462 A 27 SER HBy H 1 4.842769397540 0.0100485901838 A 27 SER HBx H 1 3.920799568760 0.0119232257098 A 27 SER C C 13 178.798398892000 0.0148881711263 A 27 SER CA C 13 56.610681489800 0.0722060417697 A 27 SER CB C 13 66.259624018000 0.0633173054751 A 27 SER N N 15 116.858329701000 0.112114740316 A 28 GLU H H 1 9.591062730860 0.0176856074274 A 28 GLU HA H 1 4.200857015750 0.0126755826623 A 28 GLU HBy H 1 2.394942125540 0.0154823494898 A 28 GLU HBx H 1 2.184649931620 0.0128473607884 A 28 GLU HGy H 1 2.497786200290 0.0111233895533 A 28 GLU HGx H 1 2.409222558120 0.0216795345495 A 28 GLU C C 13 181.014007730000 0.0272895543862 A 28 GLU CA C 13 59.823858083700 0.0952678946899 A 28 GLU CB C 13 30.112748780900 0.0937043749228 A 28 GLU CG C 13 36.956137186700 0.0863979317123 A 28 GLU N N 15 124.935506116000 0.153483054036 A 29 LYS H H 1 7.724254284800 0.00345800884612 A 29 LYS HA H 1 4.575653524640 0.00634538797995 A 29 LYS C C 13 179.269807017000 0.035383917001 A 29 LYS CA C 13 55.495642008700 0.426468929891 A 29 LYS CB C 13 32.387082049100 0.0429234360907 A 29 LYS N N 15 115.591570654000 0.0802016365163 A 30 GLY H H 1 8.053620185930 0.00879285948959 A 30 GLY HAy H 1 4.235414335150 0.0154560187794 A 30 GLY HAx H 1 3.643333329190 0.0239197184855 A 30 GLY C C 13 173.274879511000 0.01012866275 A 30 GLY CA C 13 45.798179123700 0.10686141727 A 30 GLY N N 15 108.212088959000 0.0637416504576 A 31 ARG H H 1 7.431434337620 0.0170808735563 A 31 ARG HA H 1 4.377589628070 0.0082966607029 A 31 ARG HBy H 1 1.779581268770 0.0327508806852 A 31 ARG HBx H 1 1.669871258250 0.0130600949616 A 31 ARG HD2 H 1 3.157795797610 0.0058030566108 A 31 ARG HD3 H 1 3.157795797610 0.0058030566108 A 31 ARG HGy H 1 1.598081855560 0.00145846778891 A 31 ARG HGx H 1 1.494466396350 0.0123459930204 A 31 ARG C C 13 177.102500603000 0.00602223515965 A 31 ARG CA C 13 55.393594527000 0.0611912331536 A 31 ARG CB C 13 31.429874451600 0.0964756701975 A 31 ARG N N 15 120.001739904000 0.0950200827434 A 32 GLU H H 1 8.902593379740 0.00915561619737 A 32 GLU HA H 1 4.419123327340 0.018537543135 A 32 GLU HBx H 1 2.088862963980 0.0383410224483 A 32 GLU HBy H 1 2.107537336590 0.0263610301019 A 32 GLU HGy H 1 2.332870429980 0.0223654736732 A 32 GLU HGx H 1 2.079393053980 0.0357870014887 A 32 GLU C C 13 177.796772622000 0.00390524311053 A 32 GLU CA C 13 57.943451946000 0.121293857584 A 32 GLU CB C 13 30.164098412100 0.130518086014 A 32 GLU N N 15 126.287433777000 0.112123409619 A 33 LEU H H 1 9.132132078110 0.00736705473862 A 33 LEU HA H 1 4.683068650590 0.0178535087536 A 33 LEU HB3 H 1 1.403414947810 0.0176453702893 A 33 LEU HDy% H 1 0.810137817723 0.0281449192285 A 33 LEU C C 13 178.729630354000 0.0428165306965 A 33 LEU CA C 13 55.200463252900 0.0814477710034 A 33 LEU CB C 13 43.992337093200 0.0971288259706 A 33 LEU CD2 C 13 22.349449564600 0.0515341330098 A 33 LEU N N 15 126.450439761000 0.0761359979634 A 34 GLY H H 1 7.585022583820 0.00731962474225 A 34 GLY HAx H 1 4.066549493340 0.0118226741602 A 34 GLY HAy H 1 4.473901317070 0.0102653730489 A 34 GLY C C 13 179.914474032000 0.00690743456746 A 34 GLY CA C 13 45.413617290800 0.0519535628402 A 34 GLY N N 15 104.967986945000 0.0652873680495 A 35 MET H H 1 8.415673390210 0.0172588854193 A 35 MET HA H 1 5.289783953040 0.0166509813585 A 35 MET HBy H 1 1.837871079320 0.0202210547738 A 35 MET HBx H 1 1.835626469460 0.0239172883312 A 35 MET HE% H 1 1.894377281710 0.0162417059969 A 35 MET HGx H 1 2.339298529850 0.0199270474027 A 35 MET HGy H 1 2.348131904770 0.0174226507784 A 35 MET C C 13 174.672542041000 0.00269749338631 A 35 MET CA C 13 53.727375424900 0.0891435784424 A 35 MET CB C 13 37.170592150400 0.115041095806 A 35 MET CE C 13 17.382355306000 0.0109847171655 A 35 MET CG C 13 31.752063587100 0.0331875675937 A 35 MET N N 15 118.478866232000 0.0743170496983 A 36 VAL H H 1 8.795096624110 0.00581740376035 A 36 VAL HA H 1 3.840489889670 0.013768098546 A 36 VAL HB H 1 1.957537859990 0.0170566623285 A 36 VAL HGx% H 1 0.668059287098 0.0369155351933 A 36 VAL HGy% H 1 0.683925964056 0.0328758820655 A 36 VAL C C 13 175.016279721000 0.0143694806657 A 36 VAL CA C 13 63.107538892400 0.0872342964426 A 36 VAL CB C 13 31.824625079100 0.107418132969 A 36 VAL CGx C 13 21.979876593700 0.0765320290398 A 36 VAL CGy C 13 23.427177972900 0.0256337315633 A 36 VAL N N 15 123.740782336000 0.0747324519583 A 37 ALA H H 1 9.079882745720 0.0138891002424 A 37 ALA HA H 1 4.205225377670 0.0148433947108 A 37 ALA HB% H 1 1.493409258320 0.0158507395596 A 37 ALA C C 13 176.259841448000 0.0103559620045 A 37 ALA CA C 13 50.515282192300 0.0894740003937 A 37 ALA CB C 13 18.657586969500 0.0741120773503 A 37 ALA N N 15 134.185565460000 0.105553402552 A 38 ASP H H 1 7.999524316330 0.00753864833658 A 38 ASP HA H 1 4.790310462850 0.0110465343747 A 38 ASP HBx H 1 2.720019363380 0.0251807970762 A 38 ASP HBy H 1 2.776163558900 0.0191254346517 A 38 ASP C C 13 178.323282450000 0.0091711774415 A 38 ASP CA C 13 55.276508490700 0.0831228137955 A 38 ASP CB C 13 42.196597638500 0.0666786680981 A 38 ASP N N 15 119.919629599000 0.114953390113 A 39 GLU H H 1 8.832511248510 0.00849434712641 A 39 GLU HA H 1 3.856530107970 0.0131291046906 A 39 GLU HBx H 1 2.082734343420 0.0428214155784 A 39 GLU HBy H 1 2.208049072940 0.0979723943688 A 39 GLU HGx H 1 2.201699980430 0.0238948436458 A 39 GLU HGy H 1 2.203328923630 0.0201984430643 A 39 GLU C C 13 177.648512724000 0.013899542968 A 39 GLU CA C 13 57.498750298000 0.0819806236675 A 39 GLU CB C 13 27.789993975500 0.0858629931996 A 39 GLU CG C 13 37.243043673100 0.0629557612035 A 39 GLU N N 15 115.453977776000 0.039861848807 A 40 GLY H H 1 8.842195283950 0.0133093398689 A 40 GLY HAx H 1 3.252928078450 0.0174142957722 A 40 GLY HAy H 1 3.975881652930 0.0137630498418 A 40 GLY C C 13 169.568378133000 0.0182750827357 A 40 GLY CA C 13 46.543905822900 0.0762772668549 A 40 GLY N N 15 105.326762466000 0.067009508248 A 41 LEU H H 1 7.365046705200 0.00957687796827 A 41 LEU HA H 1 4.656766567790 0.0216512837606 A 41 LEU HB3 H 1 1.619412482170 0.012017768063 A 41 LEU HD2% H 1 0.766381371483 0.0127514798628 A 41 LEU C C 13 176.730598260000 0.0224595631498 A 41 LEU CA C 13 55.251694677100 0.140069405021 A 41 LEU CB C 13 43.006158561200 0.12076008028 A 41 LEU N N 15 120.998265336000 0.11059860272 A 42 ALA H H 1 9.311601778200 0.0168524478575 A 42 ALA HA H 1 4.985118464790 0.0185524503921 A 42 ALA HB% H 1 1.039529868150 0.0114863484113 A 42 ALA C C 13 175.611467267000 0.0115696027829 A 42 ALA CA C 13 50.897741944900 0.101914078968 A 42 ALA CB C 13 22.003854398900 0.182961168797 A 42 ALA N N 15 127.418702669000 0.080897939015 A 43 TRP H H 1 8.309260820110 0.00835578080254 A 43 TRP HA H 1 5.045676720170 0.0305998205364 A 43 TRP HBy H 1 3.180976892480 0.014115938699 A 43 TRP HBx H 1 3.001030048030 0.0485522250781 A 43 TRP HD1 H 1 6.742916556140 0.282069854011 A 43 TRP HE1 H 1 9.753861050840 0.0191957330584 A 43 TRP HE3 H 1 7.285994782340 0.038395383985 A 43 TRP C C 13 176.948907352000 0.02575387877 A 43 TRP CA C 13 56.716201927900 0.111929799087 A 43 TRP CB C 13 29.391671009800 0.110919077685 A 43 TRP CD1 C 13 125.989553906000 0.0976580915985 A 43 TRP CZ3 C 13 121.407795544000 0.152042255527 A 43 TRP N N 15 124.885002030000 0.165832317233 A 43 TRP NE1 N 15 128.679621294000 0.138727822519 A 44 LEU H H 1 8.879612624010 0.0102036183932 A 44 LEU HA H 1 4.878121953670 0.0277121997245 A 44 LEU HBy H 1 1.719686201680 0.0219575317214 A 44 LEU HBx H 1 0.970758052796 0.022782388157 A 44 LEU HDx% H 1 0.512009900753 0.0183101542878 A 44 LEU HDy% H 1 0.548281751077 0.0244064603671 A 44 LEU C C 13 177.064044455000 . A 44 LEU CA C 13 53.079773334700 0.0537892137198 A 44 LEU CB C 13 44.884590019700 0.0925960249618 A 44 LEU CDx C 13 23.537369731900 0.0803770570095 A 44 LEU CDy C 13 26.179733475000 0.043527358817 A 44 LEU N N 15 125.277216554000 0.17264488552 A 45 SER H H 1 8.365874635680 0.0171184694775 A 45 SER HA H 1 4.743091723510 0.0153926192668 A 45 SER HBx H 1 3.663945078490 0.0365082557591 A 45 SER HBy H 1 3.758318812400 0.0158913289974 A 45 SER C C 13 172.555268550000 0.00449817028427 A 45 SER CA C 13 57.722280918700 0.112425513866 A 45 SER CB C 13 64.903638709900 0.0750979788796 A 45 SER N N 15 116.399768695000 0.0399108292613 A 46 GLY H H 1 8.038780720140 0.00847786587751 A 46 GLY HAx H 1 3.700693673960 0.0203200263966 A 46 GLY HAy H 1 4.013146811090 0.0212764474231 A 46 GLY C C 13 174.376047920000 0.0145019878391 A 46 GLY CA C 13 46.581536437000 0.0535625529134 A 46 GLY N N 15 110.934539962000 0.0471932913175 A 47 VAL H H 1 8.164699237330 0.0113368250889 A 47 VAL HA H 1 3.973619568830 0.0208013697592 A 47 VAL HB H 1 1.847757908650 0.0306363949571 A 47 VAL HGx% H 1 0.783703964435 0.0177795549648 A 47 VAL HGy% H 1 0.794774896540 0.0121440214008 A 47 VAL C C 13 175.581937648000 0.00950913189659 A 47 VAL CA C 13 61.997672754800 0.0670499550863 A 47 VAL CB C 13 33.545272863700 0.0911799973943 A 47 VAL CGx C 13 23.172676365700 0.072300931362 A 47 VAL CGy C 13 23.173475708800 0.0722017105109 A 47 VAL N N 15 119.256580068000 0.132691115242 A 48 THR H H 1 9.522982800320 0.016684593942 A 48 THR HA H 1 4.688679002930 0.0127395722593 A 48 THR HB H 1 3.939964175590 0.0225837763019 A 48 THR HG2% H 1 1.203673358060 0.0169770240576 A 48 THR C C 13 169.017269747000 . A 48 THR CA C 13 60.054107218100 0.03538920686 A 48 THR CB C 13 70.283096191000 0.0783664150287 A 48 THR CG2 C 13 20.956409962500 0.0623700845848 A 48 THR N N 15 125.619314339000 0.131904269886 A 49 PRO HA H 1 3.875240636040 0.00572919141357 A 49 PRO HB3 H 1 2.488448475880 0.010792662274 A 49 PRO HDy H 1 4.020856890000 0.0120553480243 A 49 PRO HDx H 1 3.743358712010 0.0112156791675 A 49 PRO HGx H 1 1.715096591800 0.00676417280743 A 49 PRO HGy H 1 2.224266647970 0.00285902554931 A 49 PRO C C 13 178.701810148000 0.0137341150444 A 49 PRO CA C 13 64.523962587900 0.0544775564974 A 49 PRO CB C 13 32.199355756200 . A 49 PRO CD C 13 51.487229401200 0.0624782911715 A 49 PRO CG C 13 28.789171766000 0.0514235596084 A 50 GLY H H 1 7.278063621670 0.0309819388892 A 50 GLY HAy H 1 4.326489765510 0.0199538039199 A 50 GLY HAx H 1 3.779058606830 0.0200017208696 A 50 GLY C C 13 174.031406150000 0.00394366550857 A 50 GLY CA C 13 45.718136563100 0.0638999373021 A 50 GLY N N 15 113.062142838000 0.0309739269323 A 51 GLU H H 1 7.691540410480 0.0126264477262 A 51 GLU HA H 1 4.543114691720 0.0188018838721 A 51 GLU HBy H 1 1.941361416160 0.0240814874089 A 51 GLU HBx H 1 1.851589725840 0.0256762968619 A 51 GLU HGx H 1 2.464152375770 0.033329391988 A 51 GLU HGy H 1 2.564212593310 0.0198421976677 A 51 GLU C C 13 173.640618586000 0.0102756167872 A 51 GLU CA C 13 56.369518093000 0.0880822999518 A 51 GLU CB C 13 32.179565625400 0.182146079027 A 51 GLU N N 15 120.992563609000 0.0788494493277 A 52 THR H H 1 8.622741182920 0.0142296212608 A 52 THR HA H 1 5.077843435700 0.0119528596701 A 52 THR HB H 1 3.923318632810 0.0140052304713 A 52 THR HG2% H 1 1.089542548240 0.0333306788315 A 52 THR C C 13 174.604854905000 0.00734303213873 A 52 THR CA C 13 62.344203570400 0.0954407019626 A 52 THR CB C 13 70.187915573300 0.0711725725367 A 52 THR N N 15 118.131186747000 0.053308752799 A 53 LEU H H 1 9.372016620600 0.0118059524955 A 53 LEU HA H 1 4.983133394160 0.0145280201222 A 53 LEU HBy H 1 1.543317145620 0.0210077603169 A 53 LEU HBx H 1 1.315602194040 0.0178755712335 A 53 LEU HDx% H 1 0.474688718336 0.00637967663094 A 53 LEU HDy% H 1 0.707497781417 0.0118537097982 A 53 LEU HG H 1 1.553000998240 0.0194070154156 A 53 LEU C C 13 179.276502907000 0.00600473337163 A 53 LEU CA C 13 52.726108162800 0.100719223319 A 53 LEU CB C 13 43.529621947800 0.113213742013 A 53 LEU CDx C 13 23.911055451100 0.0655849370609 A 53 LEU CDy C 13 25.814492236100 0.0606281894648 A 53 LEU CG C 13 26.780501507800 0.0770923942894 A 53 LEU N N 15 126.542465684000 0.0985379554366 A 54 SER H H 1 8.946154916360 0.00745602804644 A 54 SER HA H 1 5.012559778050 0.0135314166714 A 54 SER HBy H 1 3.774362026590 0.0226994872168 A 54 SER HBx H 1 3.773297953800 0.0236132836225 A 54 SER C C 13 169.461525814000 0.0132134635075 A 54 SER CA C 13 58.467115529800 0.066631715745 A 54 SER CB C 13 65.500027824000 0.0584277600012 A 54 SER N N 15 117.060820889000 0.0595399368608 A 55 VAL H H 1 8.655448397160 0.00642814739997 A 55 VAL HA H 1 5.087131922510 0.0104702452349 A 55 VAL HB H 1 2.383443779640 0.0193786629673 A 55 VAL HGx% H 1 1.047586114560 0.0257480372652 A 55 VAL HGy% H 1 0.859699544008 0.0108954480348 A 55 VAL C C 13 174.715447690000 0.00437040919056 A 55 VAL CA C 13 62.223567449200 0.0753472132895 A 55 VAL CB C 13 32.427310501000 0.0828731456905 A 55 VAL CGx C 13 22.188433341600 0.0910796132762 A 55 VAL CGy C 13 23.280763930900 0.0352763514094 A 55 VAL N N 15 124.180246973000 0.09343116196 A 56 ASN H H 1 9.281997232750 0.00954019099957 A 56 ASN HA H 1 5.514840388880 0.0172896943828 A 56 ASN HBx H 1 2.438685902610 0.0190830828544 A 56 ASN HBy H 1 2.732980176970 0.0134139230613 A 56 ASN HD21 H 1 6.768446268540 0.0186632191354 A 56 ASN HD22 H 1 6.366348104770 0.0127328763674 A 56 ASN C C 13 177.166699110000 0.0254879029918 A 56 ASN CA C 13 52.814825392900 0.0955063713611 A 56 ASN CB C 13 42.538430201600 0.0800992701617 A 56 ASN N N 15 126.618218983000 0.165708537946 A 56 ASN ND2 N 15 113.631278973000 0.103817663851 A 57 TRP H H 1 8.247753479290 0.00700651999586 A 57 TRP HA H 1 4.966166188990 0.010750671012 A 57 TRP HBy H 1 3.719134308530 0.0109002872344 A 57 TRP HBx H 1 3.324856116570 0.00934256749543 A 57 TRP HE1 H 1 10.215090600400 0.0182462089197 A 57 TRP HE3 H 1 7.292901753850 0.0200217815364 A 57 TRP HH2 H 1 6.979384110440 0.00627432569499 A 57 TRP HZ2 H 1 7.406763550600 0.00955543531062 A 57 TRP C C 13 176.389283524000 0.00647127244358 A 57 TRP CA C 13 59.555704341100 0.0650819476517 A 57 TRP CB C 13 30.461884170000 0.083028455555 A 57 TRP CD1 C 13 128.937864008000 0.0530989740527 A 57 TRP CH2 C 13 124.172761576000 0.0616337496602 A 57 TRP CZ2 C 13 115.981605735000 0.0865325899987 A 57 TRP CZ3 C 13 121.391011931000 0.0514637921308 A 57 TRP N N 15 118.829630894000 0.161164067674 A 57 TRP NE1 N 15 131.788317895000 0.164038719893 A 58 ASP H H 1 9.436869460260 0.0104403061173 A 58 ASP HA H 1 4.427115792600 0.0103178664738 A 58 ASP HBx H 1 2.559222703910 0.0123572281904 A 58 ASP HBy H 1 3.022871740910 0.0145134747212 A 58 ASP C C 13 177.332205558000 0.0251264405458 A 58 ASP CA C 13 55.860219447000 0.10863445501 A 58 ASP CB C 13 40.676340054000 0.0830478300395 A 58 ASP N N 15 120.167877615000 0.107410856982 A 59 GLY H H 1 8.449506878870 0.0135519520869 A 59 GLY HAy H 1 4.029412659240 0.0129927324345 A 59 GLY HAx H 1 3.663581142080 0.0163759113872 A 59 GLY C C 13 173.370676111000 0.0113609943256 A 59 GLY CA C 13 46.205108043900 0.135693023875 A 59 GLY N N 15 102.960287710000 0.0378091600975 A 60 LYS H H 1 7.376308695410 0.00708702789515 A 60 LYS HA H 1 4.628734671490 0.0184004790814 A 60 LYS HBy H 1 1.635198577970 0.0166676594036 A 60 LYS HBx H 1 1.489256820440 0.0140688245782 A 60 LYS HE2 H 1 2.844772940360 0.0102546419782 A 60 LYS HE3 H 1 2.844772940360 0.0102546419783 A 60 LYS HGy H 1 1.186821047800 0.0106832617473 A 60 LYS HGx H 1 0.989327572888 0.0258518843947 A 60 LYS C C 13 174.528607850000 0.00731411475378 A 60 LYS CA C 13 54.850257018900 0.0936065140122 A 60 LYS CB C 13 36.068161727300 0.120957501407 A 60 LYS CE C 13 42.076361409900 0.0446883495526 A 60 LYS CG C 13 23.677271737400 0.0592778661035 A 60 LYS N N 15 118.097779298000 0.0693102161976 A 61 ILE H H 1 8.021972887620 0.00879981635176 A 61 ILE HA H 1 3.882431280460 0.0140703181875 A 61 ILE HB H 1 1.625658858390 0.0129281357854 A 61 ILE HD1% H 1 0.841024752914 0.0156181441717 A 61 ILE HG1x H 1 1.015114636320 0.00649881561736 A 61 ILE HG1y H 1 1.027741740900 0.0150855584182 A 61 ILE HG2% H 1 0.723016412465 0.0159063186218 A 61 ILE C C 13 178.351462531000 0.00457795857252 A 61 ILE CA C 13 63.065782485200 0.0838607332564 A 61 ILE CB C 13 38.072721179100 0.0897238134869 A 61 ILE CD1 C 13 13.789143050500 0.0659250538186 A 61 ILE CG1 C 13 28.315500475000 0.0595332397657 A 61 ILE CG2 C 13 17.353813407400 0.116395470114 A 61 ILE N N 15 120.459683523000 0.109990580737 A 62 GLN H H 1 8.503621769750 0.00692097439436 A 62 GLN HA H 1 4.035837549790 0.0133147322216 A 62 GLN HBy H 1 1.159962743610 0.0130917406692 A 62 GLN HBx H 1 0.503909827017 0.0128944987408 A 62 GLN HE21 H 1 6.635196499740 0.0405915787436 A 62 GLN HE22 H 1 6.035924670420 0.0180206085233 A 62 GLN HGx H 1 0.218937397775 0.00888701098828 A 62 GLN HGy H 1 1.788848489170 0.0087602878042 A 62 GLN C C 13 178.632098626000 0.0185432381111 A 62 GLN CA C 13 56.815964099000 0.0814677647591 A 62 GLN CB C 13 28.187282460100 0.0972651709539 A 62 GLN CG C 13 30.563627426300 0.0868152413997 A 62 GLN N N 15 127.676810993000 0.164328326738 A 62 GLN NE2 N 15 108.473773965000 0.103654304599 A 63 CYS H H 1 7.828825331220 0.0125257335154 A 63 CYS HA H 1 4.707933000940 0.0154099510786 A 63 CYS HBx H 1 2.957230934250 0.0136801128237 A 63 CYS HBy H 1 3.393975144340 0.0111671018958 A 63 CYS C C 13 180.126285910000 0.00749736848765 A 63 CYS CA C 13 55.149470995400 0.116434649981 A 63 CYS CB C 13 45.220415446700 0.0930604822497 A 63 CYS N N 15 111.811059357000 0.0667843809932 A 64 GLN H H 1 8.894271718200 0.0196137801376 A 64 GLN HA H 1 5.474464650030 0.0118804898349 A 64 GLN HBy H 1 1.940895125640 0.0266939571802 A 64 GLN HBx H 1 1.903186004200 0.0118021555637 A 64 GLN HE21 H 1 6.698031060350 0.00197062261557 A 64 GLN HE22 H 1 7.170778696330 0.00659159915031 A 64 GLN HGy H 1 2.307703679150 0.0123610212879 A 64 GLN HGx H 1 2.102741534520 0.0104773855671 A 64 GLN C C 13 174.204063873000 0.0120794253182 A 64 GLN CA C 13 54.548471661800 0.0912585782914 A 64 GLN CB C 13 33.601255888000 0.110168944199 A 64 GLN CG C 13 34.914878861400 0.114812835678 A 64 GLN N N 15 118.834999225000 0.0731130923456 A 64 GLN NE2 N 15 111.612212775000 0.0590997332404 A 65 VAL H H 1 8.782248546990 0.00792159360965 A 65 VAL HA H 1 4.702113767860 0.0143451706699 A 65 VAL HB H 1 1.799364840610 0.0186225876201 A 65 VAL HG2% H 1 0.725114204259 0.0191487760548 A 65 VAL C C 13 173.196040712000 0.0135466415133 A 65 VAL CA C 13 59.411479939600 0.0747507123276 A 65 VAL CB C 13 35.992910956500 0.0929038945505 A 65 VAL CG2 C 13 21.786782884900 0.110074688292 A 65 VAL N N 15 117.910142336000 0.0822736482208 A 66 ASN H H 1 9.033162377220 0.0261552851598 A 66 ASN HA H 1 5.120906111310 0.0157192985186 A 66 ASN HBy H 1 2.649608706900 0.0262019835878 A 66 ASN HBx H 1 2.564777957310 0.0198115528889 A 66 ASN HD21 H 1 7.226226631160 0.00675672394584 A 66 ASN HD22 H 1 6.676480857880 0.00994843548545 A 66 ASN C C 13 173.358043416000 0.0137669113238 A 66 ASN CA C 13 52.638001768800 0.0801285794262 A 66 ASN CB C 13 39.912529760200 0.0961388806697 A 66 ASN N N 15 125.297138720000 0.0817754550804 A 66 ASN ND2 N 15 111.828084737000 0.0918891378999 A 67 VAL H H 1 8.707703760380 0.00611195304367 A 67 VAL HA H 1 3.910360507420 0.0403000417411 A 67 VAL HB H 1 2.213223128160 0.0279259787966 A 67 VAL HGx% H 1 0.998110413315 0.00800796793298 A 67 VAL HGy% H 1 1.028690456000 . A 67 VAL C C 13 174.911924329000 . A 67 VAL CA C 13 61.405806893400 0.172006473997 A 67 VAL CB C 13 32.757683798300 0.369045608517 A 67 VAL CG1 C 13 20.040708800900 0.117137511305 A 67 VAL N N 15 126.921400044000 0.0721179501254 A 68 PRO C C 13 180.015028735000 0.0123405825041 A 68 PRO CA C 13 63.439310996000 0.00463988478859 A 68 PRO CB C 13 32.835961671100 . A 69 GLU H H 1 8.973278748990 0.00809107764079 A 69 GLU HA H 1 3.874748620740 0.0172962753978 A 69 GLU HBx H 1 2.031126075390 0.0288712438707 A 69 GLU HBy H 1 2.051419831590 0.031857602868 A 69 GLU HG2 H 1 2.251987290410 0.0173122441013 A 69 GLU HG3 H 1 2.251987290410 0.0173122441013 A 69 GLU C C 13 177.975421331000 0.00317632079816 A 69 GLU CA C 13 58.888390022200 0.0818627619874 A 69 GLU CB C 13 29.737134335500 0.0706331262475 A 69 GLU N N 15 121.228789675000 0.107035480389 A 70 THR H H 1 7.197774323940 0.00653285714724 A 70 THR HA H 1 4.249610102950 0.0140751985946 A 70 THR HB H 1 4.452854489790 0.0152909655993 A 70 THR HG2% H 1 1.192 . A 70 THR C C 13 173.421925482000 0.00499999138759 A 70 THR CA C 13 60.824040781100 0.074026917013 A 70 THR CB C 13 69.387742967900 0.07322260516 A 70 THR N N 15 107.142708745000 0.0421323428809 A 71 ALA H H 1 7.451215869450 0.0079656132668 A 71 ALA HA H 1 4.305419340750 0.015105826697 A 71 ALA HB% H 1 1.233521098510 0.0235917371588 A 71 ALA C C 13 178.489379396000 0.000721139233793 A 71 ALA CA C 13 53.218113764100 0.0852753737594 A 71 ALA CB C 13 19.186933289000 0.09660356523 A 71 ALA N N 15 124.047400423000 0.0740817774328 A 72 ILE H H 1 7.960575140280 0.0128199620305 A 72 ILE HA H 1 4.290059732040 0.0148958207214 A 72 ILE HB H 1 1.889003318990 0.00791435597403 A 72 ILE HD1% H 1 0.860108749534 0.00504898222384 A 72 ILE HG1x H 1 1.190006445760 0.00238460929395 A 72 ILE HG1y H 1 1.476718202200 0.00229418274121 A 72 ILE C C 13 176.610809198000 0.010944768161 A 72 ILE CA C 13 60.671131345200 0.114479670709 A 72 ILE CB C 13 40.129099404000 0.0941676839132 A 72 ILE CD1 C 13 13.233075587100 0.0409480085192 A 72 ILE CG1 C 13 27.550593224800 0.0588823139249 A 72 ILE N N 15 118.957396817000 0.112140543036 A 73 SER H H 1 8.239427276120 0.0126337625925 A 73 SER HA H 1 4.542712899680 0.0107169608023 A 73 SER HBy H 1 3.927185628150 0.0126371911832 A 73 SER HBx H 1 3.925737456150 0.0111194552759 A 73 SER C C 13 174.380300717000 . A 73 SER CA C 13 59.670497030300 0.0936651885166 A 73 SER CB C 13 64.273186758200 0.0761754324498 A 73 SER N N 15 118.037326821000 0.126419281485 A 74 ASP H H 1 8.761142963580 0.0146939086779 A 74 ASP HA H 1 4.438804996540 0.0190521633289 A 74 ASP HBy H 1 2.889527547670 0.0143502162747 A 74 ASP HBx H 1 2.887022736140 0.0118964861197 A 74 ASP C C 13 175.235487374000 0.00634478942158 A 74 ASP CA C 13 55.993970339700 0.0934722102092 A 74 ASP CB C 13 40.066592502600 0.0694794469768 A 74 ASP N N 15 119.010350855000 0.0732132197505 A 75 GLN H H 1 7.769831565720 0.00828843626531 A 75 GLN HA H 1 4.406063334600 0.0209482969133 A 75 GLN HBy H 1 2.064952134580 0.0238705513028 A 75 GLN HBx H 1 2.062695463730 0.0232881589958 A 75 GLN HE21 H 1 6.726011449750 0.00985209342131 A 75 GLN HE22 H 1 7.405691709310 0.00573160898449 A 75 GLN HGx H 1 2.353829840810 0.00939355202161 A 75 GLN HGy H 1 2.357183430760 0.0204638441211 A 75 GLN C C 13 174.899916557000 0.00608134205686 A 75 GLN CA C 13 56.136734689400 0.127517123528 A 75 GLN CB C 13 30.737297352500 0.13016743615 A 75 GLN CG C 13 34.259152121600 0.107147767611 A 75 GLN N N 15 118.334192643000 0.0703791121181 A 75 GLN NE2 N 15 111.346276351000 0.0628919652705 A 76 GLN H H 1 8.284171408090 0.0138204247255 A 76 GLN HA H 1 4.912995433030 0.033967278675 A 76 GLN HBx H 1 1.894746077560 0.015863489773 A 76 GLN HBy H 1 1.894824605410 0.014957890742 A 76 GLN HE21 H 1 6.607527284440 0.00593564789715 A 76 GLN HE22 H 1 6.748847622810 0.00954181778199 A 76 GLN HGy H 1 2.018058560960 0.00793404543252 A 76 GLN HGx H 1 2.016379620810 0.00865189046551 A 76 GLN C C 13 176.120127577000 0.00743048781465 A 76 GLN CA C 13 55.519352334600 0.147619337846 A 76 GLN CB C 13 29.892168803600 0.109570125614 A 76 GLN CG C 13 34.040896113700 0.0743920077945 A 76 GLN N N 15 121.545614930000 0.0715866983159 A 76 GLN NE2 N 15 110.479010793000 0.0991319341282 A 77 LEU H H 1 8.398824337570 0.0050851558333 A 77 LEU HA H 1 4.653552994190 0.0185707030584 A 77 LEU HBx H 1 1.526170035130 0.0218973175157 A 77 LEU HBy H 1 1.529836585670 0.0212444438452 A 77 LEU HG H 1 0.916082797444 0.0154985486975 A 77 LEU C C 13 173.993343877000 0.0175281420841 A 77 LEU CA C 13 54.185554347500 0.0735015377467 A 77 LEU CB C 13 45.383102223300 0.14927902676 A 77 LEU N N 15 126.023881058000 0.0613608529836 A 78 LEU H H 1 8.264874636530 0.00846932193877 A 78 LEU HA H 1 5.014838519730 0.0133031433355 A 78 LEU HBy H 1 1.718774124810 0.0238534259039 A 78 LEU HBx H 1 1.466474096530 0.0123388506733 A 78 LEU C C 13 177.566070760000 0.0113103258642 A 78 LEU CA C 13 54.993727878200 0.0823727205589 A 78 LEU CB C 13 42.564002656200 0.181875720371 A 78 LEU N N 15 126.828998603000 0.0743742201364 A 79 LEU H H 1 8.949450851350 0.0051226155345 A 79 LEU HA H 1 5.111025850260 0.0114756161537 A 79 LEU HBx H 1 1.521553048320 0.0487794995372 A 79 LEU HBy H 1 1.530853838020 0.0186362630331 A 79 LEU HG H 1 1.307826358680 0.010505565435 A 79 LEU C C 13 171.565490028000 . A 79 LEU CA C 13 50.988126120600 0.0638474306711 A 79 LEU CB C 13 44.956087421500 0.0384350898489 A 79 LEU N N 15 127.493850355000 0.102780086151 A 80 PRO HA H 1 4.885158057720 0.00720124799946 A 80 PRO HBx H 1 1.846623964190 0.00716167959753 A 80 PRO HBy H 1 2.209944777240 . A 80 PRO HDx H 1 3.819223266590 0.00157483303436 A 80 PRO HDy H 1 3.841477691740 0.020345986164 A 80 PRO HGx H 1 1.992088853230 0.00411758725681 A 80 PRO HGy H 1 2.206119757240 0.00547944371199 A 80 PRO C C 13 176.869893672000 0.00924649293066 A 80 PRO CA C 13 61.808096525600 0.0631056106967 A 80 PRO CB C 13 32.286081891200 0.0909184560669 A 80 PRO CD C 13 51.261326525300 0.0586476859825 A 80 PRO CG C 13 27.450968203000 0.0613246379962 A 81 CYS H H 1 8.726605614470 0.0183661406931 A 81 CYS HA H 1 5.124991624010 0.0188469985421 A 81 CYS HBy H 1 3.296417650910 0.0239917282181 A 81 CYS HBx H 1 2.655759276620 0.0198732235177 A 81 CYS C C 13 175.498819920000 0.0260429216091 A 81 CYS CA C 13 55.997566478200 0.0787734317693 A 81 CYS CB C 13 47.530739781500 0.0736208869606 A 81 CYS N N 15 126.031277923000 0.0879145240101 A 82 THR H H 1 9.383977129190 0.00740492336994 A 82 THR HA H 1 4.939750198500 0.0121122729324 A 82 THR HB H 1 4.330228387090 0.0118524877708 A 82 THR HG2% H 1 1.292270065260 0.0102196604946 A 82 THR C C 13 170.781761993000 . A 82 THR CA C 13 60.081075885900 0.0799361794087 A 82 THR CB C 13 70.059670722600 0.0589778006669 A 82 THR CG2 C 13 21.800487217700 0.0339466849759 A 82 THR N N 15 122.367449605000 0.0745752713707 A 83 PRO C C 13 177.940971544000 0.00150248717572 A 83 PRO CA C 13 63.622645273300 0.0186965806654 A 83 PRO CB C 13 32.150651095400 . A 84 GLN H H 1 8.407757115460 0.0201593390982 A 84 GLN HA H 1 4.215099080190 0.015242709176 A 84 GLN HBx H 1 1.796407904230 0.0143009647155 A 84 GLN HBy H 1 1.954416159510 0.0141883437547 A 84 GLN HE21 H 1 7.187643214610 0.0181100311707 A 84 GLN HE22 H 1 6.617086863000 0.0152005409325 A 84 GLN HGx H 1 2.210541384970 0.0170930163329 A 84 GLN HGy H 1 2.219831160160 0.0195085886416 A 84 GLN C C 13 176.702348164000 0.0206545992607 A 84 GLN CA C 13 56.248657409400 0.0553027012954 A 84 GLN CB C 13 29.925187612600 0.14008513866 A 84 GLN N N 15 122.169394287000 0.126121946842 A 84 GLN NE2 N 15 111.079413014000 0.0819596492284 A 85 LYS H H 1 8.256484670600 0.028467064263 A 85 LYS HA H 1 4.255217995470 0.0188027848229 A 85 LYS HBx H 1 1.682024442490 0.0224700952052 A 85 LYS HBy H 1 1.738003456900 0.028501440154 A 85 LYS HE2 H 1 2.928550311370 . A 85 LYS HE3 H 1 2.928550311370 . A 85 LYS HG2 H 1 1.352696168740 0.00107937952676 A 85 LYS HG3 H 1 1.352696168740 0.00107937952676 A 85 LYS C C 13 177.796733369000 0.0132479542632 A 85 LYS CA C 13 56.503149404400 0.0660641671129 A 85 LYS CB C 13 33.373204241100 0.0799238494952 A 85 LYS N N 15 123.482490449000 0.0330112092356 A 87 ALA H H 1 7.965098545100 0.00746665778482 A 87 ALA HA H 1 4.255668342720 0.0142761691386 A 87 ALA HB% H 1 1.238941079140 0.0319588635374 A 87 ALA C C 13 177.287119818000 0.00228120172299 A 87 ALA CA C 13 52.647002692900 0.0755238787884 A 87 ALA CB C 13 19.636379549800 0.0779973621113 A 87 ALA N N 15 126.112286886000 0.0386978562146 A 88 SER H H 1 8.175649761260 0.00641173366315 A 88 SER HA H 1 4.328330285890 0.0100519455797 A 88 SER HBx H 1 3.705642923830 0.0175172176785 A 88 SER HBy H 1 3.695791788480 0.00604192919501 A 88 SER C C 13 173.017120204000 0.171623154952 A 88 SER CA C 13 58.332330439500 0.0607447065904 A 88 SER CB C 13 64.087621138700 0.0480954709273 A 88 SER N N 15 117.378753701000 0.0566921758566 A 88 TRP HE1 H 1 10.043188525000 0.00601681967417 A 88 TRP NE1 N 15 129.317757293000 0.027710333661 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 26 THR HB A 32 GLU HBy 1.0 1.8 6.0 2 1 A 26 THR HB A 32 GLU HBx 1.0 1.8 6.0 3 2 A 57 TRP HZ2 A 18 GLN HBy 1.0 1.8 6.0 4 3 A 51 GLU HA A 51 GLU HBx 1.0 1.8 4.0 5 4 A 26 THR HA A 32 GLU HBy 1.0 1.8 6.0 6 4 A 32 GLU HBx A 26 THR HA 1.0 1.8 6.0 7 5 A 49 PRO HGy A 49 PRO HB3 1.0 1.8 4.0 8 6 A 16 GLY HAx A 16 GLY HAy 1.0 1.8 4.0 9 7 A 40 GLY HAy A 18 GLN HBy 1.0 1.8 5.0 10 8 A 21 PHE HB3 A 36 VAL HGy% 1.0 1.8 6.0 11 9 A 25 VAL HGy% A 55 VAL HGy% 1.0 1.8 6.0 12 10 A 49 PRO HA A 48 THR HG2% 1.0 1.8 6.0 13 11 A 8 PHE HA A 43 TRP HZ2 1.0 1.8 6.0 14 12 A 25 VAL HGy% A 44 LEU HDy% 1.0 1.8 5.0 15 13 A 49 PRO HB3 A 49 PRO HDx 1.0 1.8 6.0 16 14 A 80 PRO HBy A 80 PRO HDy 1.0 1.8 5.0 17 15 A 60 LYS HBx A 60 LYS HE2 1.0 1.8 4.0 18 15 A 60 LYS HE3 A 60 LYS HBx 1.0 1.8 4.0 19 16 A 36 VAL HB A 36 VAL HGy% 1.0 1.8 4.0 20 17 A 42 ALA HB% A 35 MET HGy 1.0 1.8 4.0 21 18 A 44 LEU HDy% A 44 LEU HBx 1.0 1.8 6.0 22 19 A 53 LEU HBx A 53 LEU HA 1.0 1.8 4.0 23 20 A 64 GLN HGx A 65 VAL HA 1.0 1.8 6.0 24 21 A 20 PRO HBy A 20 PRO HDy 1.0 1.8 5.0 25 22 A 21 PHE HD% A 21 PHE HA 1.0 1.8 6.0 26 23 A 42 ALA HA A 37 ALA HB% 1.0 1.8 6.0 27 24 A 25 VAL HA A 25 VAL HB 1.0 1.8 5.0 28 25 A 56 ASN HA A 61 ILE HG1y 1.0 1.8 6.0 29 26 A 43 TRP HBx A 43 TRP HD1 1.0 1.8 6.0 30 27 A 80 PRO HDy A 80 PRO HA 1.0 1.8 5.0 31 28 A 12 ARG HBy A 18 GLN HGx 1.0 1.8 6.0 32 29 A 77 LEU HA A 9 ALA HA 1.0 1.8 6.0 33 30 A 46 GLY HAy A 33 LEU HA 1.0 1.8 6.0 34 31 A 20 PRO HDy A 19 PRO HA 1.0 1.8 4.0 35 32 A 24 SER HBx A 35 MET HBx 1.0 1.8 6.0 36 32 A 35 MET HBy A 24 SER HBx 1.0 1.8 6.0 37 33 A 42 ALA HB% A 36 VAL HGy% 1.0 1.8 5.0 38 34 A 22 GLY HAx A 35 MET HBx 1.0 1.8 5.0 39 34 A 35 MET HBy A 22 GLY HAx 1.0 1.8 5.0 40 35 A 23 ALA HB% A 36 VAL HGy% 1.0 1.8 5.0 41 36 A 49 PRO HB3 A 49 PRO HGx 1.0 1.8 5.0 42 37 A 61 ILE HB A 54 SER HBy 1.0 1.8 6.0 43 37 A 54 SER HBx A 61 ILE HB 1.0 1.8 6.0 44 38 A 8 PHE HA A 8 PHE HBx 1.0 1.8 5.0 45 39 A 26 THR HA A 25 VAL HB 1.0 1.8 5.0 46 40 A 10 ILE HB A 78 LEU HBx 1.0 1.8 5.0 47 41 A 25 VAL HGy% A 44 LEU HA 1.0 1.8 6.0 48 42 A 25 VAL HGy% A 36 VAL HA 1.0 1.8 6.0 49 43 A 62 GLN HGx A 62 GLN HA 1.0 1.8 5.0 50 44 A 61 ILE HG2% A 61 ILE HG1y 1.0 1.8 5.0 51 45 A 45 SER HBy A 6 ARG HGy 1.0 1.8 5.0 52 46 A 61 ILE HD1% A 54 SER HBy 1.0 1.8 6.0 53 46 A 54 SER HBx A 61 ILE HD1% 1.0 1.8 6.0 54 47 A 62 GLN HGx A 62 GLN HGy 1.0 1.8 4.0 55 48 A 21 PHE HB3 A 21 PHE HE% 1.0 1.8 6.0 56 49 A 81 CYS HBx A 13 LEU HA 1.0 1.8 6.0 57 50 A 80 PRO HA A 81 CYS HA 1.0 1.8 6.0 58 51 A 15 ASP HBx A 15 ASP HBy 1.0 1.8 4.0 59 52 A 33 LEU HA A 44 LEU HA 1.0 1.8 5.0 60 53 A 21 PHE HA A 37 ALA HB% 1.0 1.8 6.0 61 54 A 22 GLY HAy A 23 ALA HA 1.0 1.8 6.0 62 55 A 57 TRP HD1 A 57 TRP HA 1.0 1.8 6.0 63 56 A 62 GLN HGx A 62 GLN HBy 1.0 1.8 5.0 64 57 A 56 ASN HA A 61 ILE HD1% 1.0 1.8 6.0 65 58 A 42 ALA HB% A 34 GLY HAx 1.0 1.8 6.0 66 59 A 6 ARG HBy A 6 ARG HDx 1.0 1.8 5.0 67 59 A 6 ARG HBx A 6 ARG HDx 1.0 1.8 5.0 68 59 A 6 ARG HDy A 6 ARG HBx 1.0 1.8 5.0 69 59 A 6 ARG HBy A 6 ARG HDy 1.0 1.8 5.0 70 60 A 33 LEU HA A 44 LEU HDx% 1.0 1.8 6.0 71 61 A 63 CYS HA A 63 CYS HBx 1.0 1.8 4.0 72 62 A 18 GLN HBy A 13 LEU HDy% 1.0 1.8 6.0 73 63 A 13 LEU HA A 13 LEU HDy% 1.0 1.8 6.0 74 64 A 12 ARG HA A 18 GLN HBx 1.0 1.8 5.0 75 65 A 37 ALA HB% A 38 ASP HA 1.0 1.8 6.0 76 66 A 57 TRP HD1 A 58 ASP HBy 1.0 1.8 5.0 77 67 A 49 PRO HA A 49 PRO HGx 1.0 1.8 5.0 78 68 A 12 ARG HA A 20 PRO HBx 1.0 1.8 4.0 79 68 A 12 ARG HA A 12 ARG HBx 1.0 1.8 4.0 80 69 A 42 ALA HA A 36 VAL HA 1.0 1.8 5.0 81 70 A 53 LEU HBx A 65 VAL HB 1.0 1.8 5.0 82 71 A 84 GLN HBy A 84 GLN HBx 1.0 1.8 2.8 83 72 A 72 ILE HB A 71 ALA HA 1.0 1.8 4.0 84 73 A 79 LEU HA A 79 LEU HBx 1.0 1.8 5.0 85 73 A 79 LEU HBy A 79 LEU HA 1.0 1.8 5.0 86 74 A 45 SER HBy A 7 LEU HD2% 1.0 1.8 6.0 87 75 A 6 ARG HA A 6 ARG HDx 1.0 1.8 6.0 88 76 A 44 LEU HA A 34 GLY HAx 1.0 1.8 6.0 89 77 A 53 LEU HA A 27 SER HBx 1.0 1.8 6.0 90 78 A 64 GLN HGy A 54 SER HBy 1.0 1.8 6.0 91 78 A 54 SER HBx A 64 GLN HGy 1.0 1.8 6.0 92 79 A 43 TRP HBx A 7 LEU HD2% 1.0 1.8 6.0 93 80 A 57 TRP HA A 58 ASP HBx 1.0 1.8 6.0 94 81 A 26 THR HB A 25 VAL HGy% 1.0 1.8 6.0 95 82 A 44 LEU HA A 44 LEU HBy 1.0 1.8 5.0 96 83 A 49 PRO HGy A 48 THR HG2% 1.0 1.8 6.0 97 84 A 53 LEU HA A 27 SER HA 1.0 1.8 5.0 98 85 A 40 GLY HAx A 18 GLN HBy 1.0 1.8 5.0 99 86 A 10 ILE HA A 78 LEU HA 1.0 1.8 6.0 100 87 A 26 THR HA A 30 GLY HAx 1.0 1.8 6.0 101 88 A 26 THR HA A 26 THR HG2% 1.0 1.8 5.0 102 89 A 55 VAL HGy% A 64 GLN HGx 1.0 1.8 6.0 103 90 A 79 LEU HG A 79 LEU HBx 1.0 1.8 4.0 104 90 A 79 LEU HBy A 79 LEU HG 1.0 1.8 4.0 105 91 A 64 GLN HGx A 61 ILE HG2% 1.0 1.8 6.0 106 92 A 41 LEU HB3 A 41 LEU HD2% 1.0 1.8 5.0 107 93 A 40 GLY HAx A 18 GLN HBx 1.0 1.8 6.0 108 93 A 40 GLY HAx A 18 GLN HBy 1.0 1.8 6.0 109 94 A 53 LEU HA A 31 ARG HBy 1.0 1.8 6.0 110 95 A 25 VAL HGx% A 24 SER HBy 1.0 1.8 6.0 111 96 A 35 MET HBy A 34 GLY HAy 1.0 1.8 6.0 112 97 A 69 GLU HA A 69 GLU HBy 1.0 1.8 4.0 113 98 A 39 GLU HGx A 38 ASP HBy 1.0 1.8 5.0 114 98 A 38 ASP HBx A 39 GLU HGx 1.0 1.8 5.0 115 99 A 80 PRO HDy A 80 PRO HGy 1.0 1.8 4.0 116 100 A 62 GLN HA A 62 GLN HBy 1.0 1.8 5.0 117 101 A 25 VAL HGy% A 25 VAL HB 1.0 1.8 4.0 118 102 A 61 ILE HG2% A 61 ILE HD1% 1.0 1.8 5.0 119 103 A 44 LEU HDx% A 33 LEU HB3 1.0 1.8 5.0 120 104 A 58 ASP HBy A 58 ASP HA 1.0 1.8 4.0 121 105 A 73 SER HA A 73 SER HBy 1.0 1.8 4.0 122 105 A 73 SER HA A 73 SER HBx 1.0 1.8 4.0 123 106 A 55 VAL HGx% A 64 GLN HA 1.0 1.8 6.0 124 107 A 57 TRP HZ2 A 62 GLN HGy 1.0 1.8 6.0 125 108 A 65 VAL HB A 53 LEU HG 1.0 1.8 5.0 126 109 A 26 THR HB A 30 GLY HAx 1.0 1.8 5.0 127 110 A 56 ASN HBy A 61 ILE HG1y 1.0 1.8 6.0 128 111 A 65 VAL HA A 64 GLN HGy 1.0 1.8 6.0 129 112 A 57 TRP HH2 A 13 LEU HDy% 1.0 1.8 6.0 130 113 A 19 PRO HA A 20 PRO HDx 1.0 1.8 4.0 131 114 A 20 PRO HDy A 23 ALA HB% 1.0 1.8 6.0 132 115 A 17 SER HA A 13 LEU HDy% 1.0 1.8 6.0 133 116 A 20 PRO HA A 13 LEU HDy% 1.0 1.8 6.0 134 117 A 49 PRO HDy A 48 THR HA 1.0 1.8 4.0 135 118 A 7 LEU HD2% A 43 TRP HA 1.0 1.8 6.0 136 119 A 31 ARG HBy A 31 ARG HA 1.0 1.8 4.0 137 120 A 19 PRO HA A 20 PRO HBx 1.0 1.8 5.0 138 121 A 44 LEU HA A 44 LEU HDx% 1.0 1.8 4.0 139 122 A 8 PHE HA A 8 PHE HBy 1.0 1.8 5.0 140 123 A 57 TRP HA A 60 LYS HGy 1.0 1.8 6.0 141 124 A 25 VAL HGy% A 34 GLY HAx 1.0 1.8 6.0 142 125 A 57 TRP HH2 A 13 LEU HDx% 1.0 1.8 5.0 143 126 A 53 LEU HA A 53 LEU HG 1.0 1.8 6.0 144 127 A 47 VAL HGy% A 47 VAL HB 1.0 1.8 4.0 145 128 A 38 ASP HA A 38 ASP HBy 1.0 1.8 4.0 146 129 A 47 VAL HGy% A 53 LEU HDx% 1.0 1.8 6.0 147 130 A 80 PRO HA A 80 PRO HGy 1.0 1.8 5.0 148 131 A 44 LEU HBx A 33 LEU HB3 1.0 1.8 6.0 149 132 A 39 GLU HBy A 39 GLU HGy 1.0 1.8 2.8 150 132 A 39 GLU HGx A 39 GLU HBy 1.0 1.8 2.8 151 133 A 33 LEU HB3 A 33 LEU HDy% 1.0 1.8 5.0 152 134 A 35 MET HA A 35 MET HGy 1.0 1.8 5.0 153 134 A 35 MET HGx A 35 MET HA 1.0 1.8 5.0 154 135 A 80 PRO HBy A 80 PRO HA 1.0 1.8 4.0 155 136 A 60 LYS HBx A 60 LYS HGx 1.0 1.8 4.0 156 137 A 23 ALA HB% A 35 MET HBx 1.0 1.8 5.0 157 138 A 51 GLU HA A 67 VAL HB 1.0 1.8 6.0 158 139 A 43 TRP HZ2 A 43 TRP HBx 1.0 1.8 6.0 159 140 A 56 ASN HBx A 61 ILE HG1y 1.0 1.8 6.0 160 141 A 7 LEU HD2% A 6 ARG HDx 1.0 1.8 6.0 161 142 A 8 PHE HA A 43 TRP HD1 1.0 1.8 6.0 162 143 A 45 SER HBx A 45 SER HA 1.0 1.8 5.0 163 144 A 57 TRP HZ2 A 62 GLN HBy 1.0 1.8 6.0 164 145 A 64 GLN HGx A 54 SER HA 1.0 1.8 4.0 165 146 A 19 PRO HA A 18 GLN HBy 1.0 1.8 4.0 166 147 A 53 LEU HBx A 53 LEU HBy 1.0 1.8 4.0 167 148 A 37 ALA HB% A 38 ASP HBx 1.0 1.8 6.0 168 149 A 57 TRP HD1 A 58 ASP HA 1.0 1.8 6.0 169 150 A 80 PRO HDy A 81 CYS HA 1.0 1.8 4.0 170 150 A 80 PRO HDy A 79 LEU HA 1.0 1.8 4.0 171 151 A 80 PRO HGy A 80 PRO HGx 1.0 1.8 4.0 172 152 A 25 VAL HGy% A 32 GLU HA 1.0 1.8 6.0 173 153 A 56 ASN HA A 62 GLN HA 1.0 1.8 6.0 174 154 A 38 ASP HA A 37 ALA HA 1.0 1.8 6.0 175 155 A 36 VAL HA A 36 VAL HGy% 1.0 1.8 5.0 176 156 A 13 LEU HA A 13 LEU HDx% 1.0 1.8 4.0 177 157 A 18 GLN HBy A 57 TRP HZ3 1.0 1.8 6.0 178 158 A 60 LYS HGy A 60 LYS HBy 1.0 1.8 5.0 179 159 A 61 ILE HB A 61 ILE HD1% 1.0 1.8 4.0 180 160 A 25 VAL HGy% A 44 LEU HBx 1.0 1.8 5.0 181 161 A 81 CYS HBy A 13 LEU HDy% 1.0 1.8 6.0 182 162 A 65 VAL HA A 55 VAL HGx% 1.0 1.8 6.0 183 163 A 24 SER HBx A 56 ASN HBx 1.0 1.8 6.0 184 164 A 28 GLU HGx A 28 GLU HA 1.0 1.8 4.0 185 165 A 12 ARG HBy A 12 ARG HDy 1.0 1.8 5.0 186 166 A 54 SER HBx A 54 SER HBy 1.0 1.8 2.8 187 167 A 34 GLY HAx A 34 GLY HAy 1.0 1.8 4.0 188 168 A 64 GLN HGx A 64 GLN HA 1.0 1.8 4.0 189 169 A 61 ILE HD1% A 56 ASN HBy 1.0 1.8 6.0 190 170 A 26 THR HB A 26 THR HG2% 1.0 1.8 5.0 191 171 A 46 GLY HAy A 33 LEU HD11 1.0 1.8 6.0 192 172 A 58 ASP HBx A 58 ASP HA 1.0 1.8 4.0 193 173 A 6 ARG HGy A 7 LEU HD2% 1.0 1.8 6.0 194 174 A 57 TRP HBy A 57 TRP HE3 1.0 1.8 6.0 195 175 A 22 GLY HAx A 35 MET HA 1.0 1.8 6.0 196 176 A 44 LEU HDy% A 33 LEU HA 1.0 1.8 6.0 197 177 A 31 ARG HBx A 31 ARG HD2 1.0 1.8 5.0 198 177 A 31 ARG HBx A 31 ARG HD3 1.0 1.8 5.0 199 178 A 27 SER HA A 27 SER HBy 1.0 1.8 4.0 200 179 A 6 ARG HA A 45 SER HA 1.0 1.8 4.0 201 180 A 62 GLN HGy A 57 TRP HZ3 1.0 1.8 6.0 202 181 A 61 ILE HG1y A 54 SER HBy 1.0 1.8 5.0 203 181 A 54 SER HBx A 61 ILE HG1y 1.0 1.8 5.0 204 182 A 36 VAL HB A 23 ALA HB% 1.0 1.8 5.0 205 183 A 60 LYS HBx A 60 LYS HA 1.0 1.8 5.0 206 184 A 32 GLU HA A 32 GLU HBy 1.0 1.8 4.0 207 184 A 32 GLU HBx A 32 GLU HA 1.0 1.8 4.0 208 185 A 22 GLY HAx A 35 MET HGy 1.0 1.8 6.0 209 185 A 22 GLY HAx A 35 MET HGx 1.0 1.8 6.0 210 186 A 42 ALA HA A 41 LEU HB3 1.0 1.8 6.0 211 187 A 21 PHE HB3 A 37 ALA HB% 1.0 1.8 6.0 212 188 A 39 GLU HGx A 38 ASP HBy 1.0 1.8 5.0 213 188 A 38 ASP HBy A 39 GLU HGy 1.0 1.8 5.0 214 189 A 61 ILE HD1% A 56 ASN HBx 1.0 1.8 6.0 215 190 A 21 PHE HD% A 22 GLY HAx 1.0 1.8 6.0 216 191 A 24 SER HBy A 35 MET HGy 1.0 1.8 6.0 217 191 A 24 SER HBy A 35 MET HGx 1.0 1.8 6.0 218 192 A 80 PRO HBy A 80 PRO HGy 1.0 1.8 4.0 219 193 A 6 ARG HA A 6 ARG HDx 1.0 1.8 6.0 220 193 A 6 ARG HDy A 6 ARG HA 1.0 1.8 6.0 221 194 A 44 LEU HBx A 44 LEU HDx% 1.0 1.8 5.0 222 195 A 10 ILE HA A 10 ILE HG2% 1.0 1.8 5.0 223 196 A 81 CYS HBx A 65 VAL HG2% 1.0 1.8 5.0 224 197 A 12 ARG HA A 12 ARG HDx 1.0 1.8 4.0 225 198 A 35 MET HGx A 35 MET HGy 1.0 1.8 2.5 226 199 A 49 PRO HDx A 49 PRO HGx 1.0 1.8 5.0 227 200 A 33 LEU HA A 33 LEU HDy% 1.0 1.8 5.0 228 201 A 21 PHE HB3 A 20 PRO HA 1.0 1.8 6.0 229 202 A 21 PHE HD% A 37 ALA HB% 1.0 1.8 6.0 230 203 A 10 ILE HA A 41 LEU HB3 1.0 1.8 6.0 231 204 A 37 ALA HA A 35 MET HBx 1.0 1.8 6.0 232 205 A 44 LEU HDx% A 25 VAL HGx% 1.0 1.8 5.0 233 206 A 57 TRP HA A 57 TRP HE3 1.0 1.8 6.0 234 207 A 49 PRO HGy A 49 PRO HGx 1.0 1.8 4.0 235 208 A 57 TRP HH2 A 13 LEU HDx% 1.0 1.8 6.0 236 208 A 57 TRP HH2 A 13 LEU HDy% 1.0 1.8 6.0 237 209 A 31 ARG HA A 31 ARG HBx 1.0 1.8 4.0 238 210 A 10 ILE HA A 41 LEU HA 1.0 1.8 4.0 239 211 A 40 GLY HAy A 18 GLN HGy 1.0 1.8 5.0 240 211 A 40 GLY HAy A 18 GLN HGx 1.0 1.8 5.0 241 212 A 82 THR HG2% A 82 THR HA 1.0 1.8 5.0 242 213 A 36 VAL HA A 36 VAL HGx% 1.0 1.8 5.0 243 214 A 52 THR HA A 51 GLU HGy 1.0 1.8 6.0 244 215 A 13 LEU HBy A 13 LEU HBx 1.0 1.8 4.0 245 216 A 13 LEU HBx A 13 LEU HDx% 1.0 1.8 6.0 246 217 A 53 LEU HDx% A 53 LEU HDy% 1.0 1.8 5.0 247 218 A 48 THR HA A 48 THR HB 1.0 1.8 5.0 248 219 A 35 MET HBx A 35 MET HGy 1.0 1.8 4.0 249 219 A 35 MET HBy A 35 MET HGy 1.0 1.8 4.0 250 220 A 81 CYS HBx A 13 LEU HDx% 1.0 1.8 6.0 251 221 A 61 ILE HG2% A 64 GLN HA 1.0 1.8 6.0 252 222 A 84 GLN HBy A 84 GLN HA 1.0 1.8 4.0 253 223 A 43 TRP HA A 43 TRP HBy 1.0 1.8 5.0 254 224 A 63 CYS HBy A 55 VAL HB 1.0 1.8 6.0 255 225 A 21 PHE HA A 21 PHE HE% 1.0 1.8 6.0 256 226 A 22 GLY HAx A 35 MET HGx 1.0 1.8 6.0 257 227 A 64 GLN HGx A 64 GLN HBx 1.0 1.8 4.0 258 228 A 65 VAL HB A 53 LEU HBy 1.0 1.8 5.0 259 229 A 24 SER HBx A 35 MET HA 1.0 1.8 6.0 260 230 A 42 ALA HB% A 42 ALA HA 1.0 1.8 4.0 261 231 A 62 GLN HBy A 57 TRP HZ3 1.0 1.8 6.0 262 232 A 65 VAL HB A 53 LEU HDy% 1.0 1.8 5.0 263 232 A 65 VAL HB A 65 VAL HG2% 1.0 1.8 5.0 264 233 A 61 ILE HD1% A 61 ILE HG1y 1.0 1.8 4.0 265 234 A 39 GLU HBy A 39 GLU HBx 1.0 1.8 2.5 266 235 A 27 SER HA A 31 ARG HBy 1.0 1.8 5.0 267 236 A 42 ALA HB% A 23 ALA HB% 1.0 1.8 5.0 268 237 A 56 ASN HA A 61 ILE HG2% 1.0 1.8 6.0 269 238 A 38 ASP HBx A 39 GLU HGx 1.0 1.8 5.0 270 238 A 38 ASP HBx A 39 GLU HGy 1.0 1.8 5.0 271 239 A 84 GLN HBx A 84 GLN HA 1.0 1.8 4.0 272 240 A 18 GLN HBy A 39 GLU HA 1.0 1.8 6.0 273 241 A 44 LEU HBx A 44 LEU HBy 1.0 1.8 4.0 274 242 A 12 ARG HA A 18 GLN HGx 1.0 1.8 5.0 275 243 A 20 PRO HBx A 18 GLN HA 1.0 1.8 5.0 276 244 A 18 GLN HGx A 18 GLN HA 1.0 1.8 5.0 277 245 A 6 ARG HGy A 6 ARG HA 1.0 1.8 5.0 278 246 A 12 ARG HBy A 12 ARG HDx 1.0 1.8 5.0 279 247 A 78 LEU HA A 78 LEU HBy 1.0 1.8 5.0 280 248 A 53 LEU HBx A 53 LEU HDx% 1.0 1.8 4.0 281 249 A 49 PRO HGy A 49 PRO HDx 1.0 1.8 5.0 282 250 A 49 PRO HGy A 48 THR HA 1.0 1.8 5.0 283 251 A 25 VAL HB A 25 VAL HGx% 1.0 1.8 4.0 284 252 A 46 GLY HAy A 46 GLY HAx 1.0 1.8 4.0 285 253 A 41 LEU HB3 A 41 LEU HA 1.0 1.8 5.0 286 254 A 48 THR HG2% A 48 THR HB 1.0 1.8 5.0 287 255 A 57 TRP HZ2 A 13 LEU HDx% 1.0 1.8 6.0 288 256 A 18 GLN HA A 36 VAL HGy% 1.0 1.8 6.0 289 256 A 18 GLN HA A 36 VAL HGx% 1.0 1.8 6.0 290 257 A 24 SER HBy A 24 SER HA 1.0 1.8 4.0 291 258 A 18 GLN HBy A 18 GLN HBx 1.0 1.8 4.0 292 259 A 62 GLN HBy A 57 TRP HH2 1.0 1.8 6.0 293 260 A 53 LEU HBy A 65 VAL HG2% 1.0 1.8 5.0 294 261 A 6 ARG HGy A 6 ARG HBx 1.0 1.8 2.8 295 262 A 13 LEU HDy% A 18 GLN HGx 1.0 1.8 6.0 296 262 A 13 LEU HDy% A 18 GLN HGy 1.0 1.8 6.0 297 263 A 45 SER HBx A 6 ARG HBx 1.0 1.8 6.0 298 264 A 20 PRO HBx A 20 PRO HDx 1.0 1.8 6.0 299 265 A 66 ASN HBy A 66 ASN HA 1.0 1.8 4.0 300 266 A 61 ILE HA A 61 ILE HG1y 1.0 1.8 5.0 301 267 A 20 PRO HBy A 20 PRO HA 1.0 1.8 4.0 302 268 A 10 ILE HB A 10 ILE HG2% 1.0 1.8 4.0 303 269 A 24 SER HBy A 56 ASN HBx 1.0 1.8 5.0 304 270 A 57 TRP HD1 A 57 TRP HBx 1.0 1.8 6.0 305 271 A 66 ASN HA A 51 GLU HBy 1.0 1.8 6.0 306 272 A 40 GLY HAx A 18 GLN HGx 1.0 1.8 6.0 307 273 A 51 GLU HA A 51 GLU HBy 1.0 1.8 5.0 308 274 A 6 ARG HGy A 45 SER HA 1.0 1.8 5.0 309 275 A 35 MET HGx A 35 MET HA 1.0 1.8 5.0 310 276 A 13 LEU HA A 13 LEU HBx 1.0 1.8 4.0 311 276 A 13 LEU HA A 13 LEU HBy 1.0 1.8 4.0 312 277 A 55 VAL HGy% A 36 VAL HA 1.0 1.8 5.0 313 277 A 42 ALA HB% A 36 VAL HA 1.0 1.8 5.0 314 278 A 57 TRP HD1 A 58 ASP HBx 1.0 1.8 6.0 315 279 A 44 LEU HDx% A 44 LEU HBy 1.0 1.8 4.0 316 280 A 21 PHE HA A 38 ASP HA 1.0 1.8 6.0 317 281 A 21 PHE HD% A 21 PHE HE% 1.0 1.8 6.0 318 282 A 26 THR HG2% A 32 GLU HBy 1.0 1.8 6.0 319 282 A 32 GLU HBx A 26 THR HG2% 1.0 1.8 6.0 320 283 A 27 SER HA A 53 LEU HDx% 1.0 1.8 6.0 321 284 A 53 LEU HA A 53 LEU HDy% 1.0 1.8 4.0 322 285 A 24 SER HBy A 35 MET HA 1.0 1.8 6.0 323 286 A 57 TRP HD1 A 57 TRP HBy 1.0 1.8 5.0 324 287 A 21 PHE HD% A 37 ALA HA 1.0 1.8 6.0 325 288 A 80 PRO HA A 80 PRO HDx 1.0 1.8 5.0 326 289 A 6 ARG HDy A 6 ARG HBx 1.0 1.8 4.0 327 289 A 6 ARG HBy A 6 ARG HDy 1.0 1.8 4.0 328 290 A 35 MET HA A 35 MET HGy 1.0 1.8 5.0 329 291 A 65 VAL HA A 81 CYS HBy 1.0 1.8 6.0 330 292 A 25 VAL HB A 44 LEU HDx% 1.0 1.8 6.0 331 293 A 21 PHE HA A 36 VAL HGy% 1.0 1.8 6.0 332 294 A 40 GLY HAy A 18 GLN HGx 1.0 1.8 6.0 333 295 A 65 VAL HB A 65 VAL HG2% 1.0 1.8 4.0 334 296 A 56 ASN HA A 61 ILE HB 1.0 1.8 6.0 335 297 A 55 VAL HGy% A 64 GLN HGy 1.0 1.8 6.0 336 298 A 53 LEU HBx A 53 LEU HDy% 1.0 1.8 4.0 337 298 A 53 LEU HG A 53 LEU HDy% 1.0 1.8 4.0 338 299 A 53 LEU HDx% A 55 VAL HA 1.0 1.8 6.0 339 300 A 71 ALA HA A 71 ALA HB% 1.0 1.8 4.0 340 301 A 26 THR HA A 32 GLU HGx 1.0 1.8 6.0 341 302 A 65 VAL HA A 81 CYS HA 1.0 1.8 5.0 342 303 A 81 CYS HA A 80 PRO HGx 1.0 1.8 5.0 343 303 A 79 LEU HA A 80 PRO HGx 1.0 1.8 5.0 344 304 A 53 LEU HDx% A 47 VAL HA 1.0 1.8 6.0 345 305 A 64 GLN HGx A 61 ILE HG1y 1.0 1.8 6.0 346 306 A 24 SER HA A 35 MET HBx 1.0 1.8 5.0 347 306 A 35 MET HBy A 24 SER HA 1.0 1.8 5.0 348 307 A 55 VAL HGy% A 25 VAL HGx% 1.0 1.8 5.0 349 308 A 61 ILE HD1% A 61 ILE HA 1.0 1.8 6.0 350 309 A 55 VAL HGx% A 55 VAL HA 1.0 1.8 4.0 351 310 A 55 VAL HGy% A 25 VAL HA 1.0 1.8 6.0 352 311 A 35 MET HGx A 35 MET HBx 1.0 1.8 5.0 353 311 A 35 MET HBx A 35 MET HGy 1.0 1.8 5.0 354 312 A 42 ALA HB% A 34 GLY HAy 1.0 1.8 6.0 355 313 A 6 ARG HGy A 6 ARG HBx 1.0 1.8 4.0 356 313 A 6 ARG HGy A 6 ARG HBy 1.0 1.8 4.0 357 314 A 36 VAL HB A 42 ALA HB% 1.0 1.8 6.0 358 315 A 35 MET HA A 35 MET HBx 1.0 1.8 4.0 359 315 A 35 MET HBy A 35 MET HA 1.0 1.8 4.0 360 316 A 61 ILE HG2% A 61 ILE HA 1.0 1.8 5.0 361 317 A 53 LEU HG A 53 LEU HDx% 1.0 1.8 6.0 362 318 A 27 SER HBx A 53 LEU HDx% 1.0 1.8 6.0 363 319 A 12 ARG HA A 12 ARG HBx 1.0 1.8 5.0 364 320 A 55 VAL HGy% A 55 VAL HGx% 1.0 1.8 5.0 365 321 A 60 LYS HGx A 60 LYS HE2 1.0 1.8 5.0 366 321 A 60 LYS HE3 A 60 LYS HGx 1.0 1.8 5.0 367 322 A 56 ASN HA A 56 ASN HBy 1.0 1.8 5.0 368 323 A 35 MET HBy A 24 SER HA 1.0 1.8 6.0 369 324 A 15 ASP HBy A 15 ASP HA 1.0 1.8 4.0 370 325 A 61 ILE HG2% A 56 ASN HBx 1.0 1.8 6.0 371 326 A 6 ARG HBy A 6 ARG HDx 1.0 1.8 4.0 372 326 A 6 ARG HBx A 6 ARG HDx 1.0 1.8 4.0 373 327 A 39 GLU HBx A 39 GLU HA 1.0 1.8 4.0 374 328 A 24 SER HBx A 25 VAL HGx% 1.0 1.8 6.0 375 329 A 33 LEU HA A 33 LEU HD11 1.0 1.8 4.0 376 330 A 20 PRO HBx A 13 LEU HDy% 1.0 1.8 5.0 377 330 A 20 PRO HBx A 60 LYS HGy 1.0 1.8 5.0 378 331 A 35 MET HGx A 35 MET HBx 1.0 1.8 4.0 379 331 A 35 MET HBy A 35 MET HGx 1.0 1.8 4.0 380 332 A 51 GLU HA A 51 GLU HGx 1.0 1.8 4.0 381 333 A 24 SER HBy A 35 MET HGy 1.0 1.8 6.0 382 334 A 49 PRO HB3 A 48 THR HA 1.0 1.8 6.0 383 335 A 49 PRO HA A 49 PRO HDx 1.0 1.8 5.0 384 336 A 57 TRP HA A 57 TRP HBx 1.0 1.8 4.0 385 337 A 18 GLN HA A 18 GLN HBx 1.0 1.8 4.0 386 337 A 18 GLN HBy A 18 GLN HA 1.0 1.8 4.0 387 338 A 20 PRO HBx A 20 PRO HA 1.0 1.8 4.0 388 339 A 33 LEU HD11 A 46 GLY HAx 1.0 1.8 6.0 389 340 A 6 ARG HA A 6 ARG HBx 1.0 1.8 4.0 390 340 A 6 ARG HBy A 6 ARG HA 1.0 1.8 4.0 391 341 A 23 ALA HA A 57 TRP HA 1.0 1.8 5.0 392 342 A 27 SER HBx A 31 ARG HBx 1.0 1.8 6.0 393 343 A 43 TRP HZ2 A 43 TRP HA 1.0 1.8 5.0 394 344 A 22 GLY HAx A 22 GLY HAy 1.0 1.8 4.0 395 345 A 42 ALA HB% A 23 ALA HA 1.0 1.8 6.0 396 346 A 61 ILE HG2% A 62 GLN HGy 1.0 1.8 6.0 397 347 A 20 PRO HBy A 20 PRO HDx 1.0 1.8 5.0 398 348 A 32 GLU HBx A 32 GLU HA 1.0 1.8 4.0 399 349 A 27 SER HBx A 53 LEU HDy% 1.0 1.8 5.0 400 350 A 13 LEU HA A 81 CYS HBy 1.0 1.8 5.0 401 351 A 80 PRO HBy A 81 CYS HA 1.0 1.8 5.0 402 351 A 80 PRO HBy A 79 LEU HA 1.0 1.8 5.0 403 352 A 57 TRP HH2 A 62 GLN HBx 1.0 1.8 6.0 404 353 A 55 VAL HGy% A 53 LEU HDy% 1.0 1.8 6.0 405 354 A 44 LEU HDy% A 44 LEU HBy 1.0 1.8 6.0 406 355 A 36 VAL HA A 25 VAL HGx% 1.0 1.8 6.0 407 356 A 45 SER HBy A 6 ARG HA 1.0 1.8 6.0 408 357 A 13 LEU HA A 13 LEU HBx 1.0 1.8 5.0 409 358 A 65 VAL HA A 53 LEU HBy 1.0 1.8 6.0 410 359 A 82 THR HA A 82 THR HB 1.0 1.8 4.0 411 360 A 17 SER HA A 18 GLN HA 1.0 1.8 6.0 412 361 A 21 PHE HB3 A 21 PHE HD% 1.0 1.8 5.0 413 362 A 60 LYS HBx A 60 LYS HGy 1.0 1.8 4.0 414 363 A 4 GLY HAx A 4 GLY HAy 1.0 1.8 4.0 415 364 A 62 GLN HA A 62 GLN HBx 1.0 1.8 5.0 416 365 A 53 LEU HG A 53 LEU HDy% 1.0 1.8 5.0 417 366 A 40 GLY HAy A 18 GLN HA 1.0 1.8 6.0 418 367 A 69 GLU HA A 69 GLU HBx 1.0 1.8 4.0 419 368 A 24 SER HBy A 61 ILE HG1y 1.0 1.8 5.0 420 369 A 64 GLN HA A 54 SER HA 1.0 1.8 4.0 421 370 A 44 LEU HDy% A 33 LEU HB3 1.0 1.8 6.0 422 371 A 6 ARG HDy A 45 SER HA 1.0 1.8 6.0 423 372 A 53 LEU HA A 53 LEU HBy 1.0 1.8 4.0 424 373 A 23 ALA HA A 57 TRP HBx 1.0 1.8 5.0 425 374 A 18 GLN HA A 18 GLN HGy 1.0 1.8 5.0 426 374 A 18 GLN HGx A 18 GLN HA 1.0 1.8 5.0 427 375 A 13 LEU HDy% A 13 LEU HBx 1.0 1.8 6.0 428 376 A 60 LYS HGy A 60 LYS HE2 1.0 1.8 5.0 429 376 A 60 LYS HE3 A 60 LYS HGy 1.0 1.8 5.0 430 377 A 57 TRP HZ3 A 62 GLN HBx 1.0 1.8 6.0 431 378 A 53 LEU HBy A 65 VAL HG2% 1.0 1.8 5.0 432 378 A 53 LEU HBy A 53 LEU HDy% 1.0 1.8 5.0 433 379 A 24 SER HA A 35 MET HBx 1.0 1.8 6.0 434 380 A 44 LEU HA A 33 LEU HB3 1.0 1.8 6.0 435 381 A 35 MET HA A 35 MET HBx 1.0 1.8 5.0 436 382 A 12 ARG HBy A 12 ARG HA 1.0 1.8 4.0 437 383 A 13 LEU HDy% A 18 GLN HA 1.0 1.8 6.0 438 384 A 40 GLY HAy A 40 GLY HAx 1.0 1.8 4.0 439 385 A 45 SER HA A 6 ARG HBx 1.0 1.8 5.0 440 386 A 57 TRP HZ2 A 57 TRP HZ3 1.0 1.8 6.0 441 387 A 35 MET HBy A 35 MET HA 1.0 1.8 5.0 442 388 A 65 VAL HA A 53 LEU HG 1.0 1.8 6.0 443 389 A 20 PRO HBy A 19 PRO HA 1.0 1.8 6.0 444 390 A 56 ASN HBy A 24 SER HA 1.0 1.8 6.0 445 391 A 56 ASN HBy A 56 ASN HBx 1.0 1.8 4.0 446 392 A 62 GLN HBy A 62 GLN HBx 1.0 1.8 4.0 447 393 A 13 LEU HA A 14 ALA HA 1.0 1.8 6.0 448 394 A 20 PRO HDx A 13 LEU HDy% 1.0 1.8 5.0 449 395 A 64 GLN HA A 64 GLN HBx 1.0 1.8 5.0 450 396 A 47 VAL HA A 47 VAL HGx% 1.0 1.8 5.0 451 397 A 12 ARG HA A 13 LEU HDy% 1.0 1.8 6.0 452 398 A 54 SER HA A 54 SER HBy 1.0 1.8 4.0 453 398 A 54 SER HBx A 54 SER HA 1.0 1.8 4.0 454 399 A 52 THR HA A 52 THR HG2% 1.0 1.8 5.0 455 400 A 19 PRO HA A 13 LEU HDy% 1.0 1.8 6.0 456 401 A 6 ARG HDy A 6 ARG HA 1.0 1.8 6.0 457 402 A 55 VAL HGy% A 55 VAL HA 1.0 1.8 4.0 458 403 A 10 ILE HG2% A 41 LEU HA 1.0 1.8 6.0 459 404 A 11 LEU HA A 11 LEU HBy 1.0 1.8 5.0 460 405 A 25 VAL HGy% A 25 VAL HA 1.0 1.8 4.0 461 406 A 65 VAL HA A 64 GLN HA 1.0 1.8 6.0 462 407 A 84 GLN HBx A 84 GLN HGx 1.0 1.8 4.0 463 407 A 84 GLN HBx A 84 GLN HGy 1.0 1.8 4.0 464 408 A 43 TRP HBx A 43 TRP HBy 1.0 1.8 4.0 465 409 A 61 ILE HG2% A 56 ASN HBy 1.0 1.8 6.0 466 410 A 42 ALA HB% A 44 LEU HDx% 1.0 1.8 5.0 467 411 A 53 LEU HDx% A 53 LEU HBy 1.0 1.8 5.0 468 412 A 21 PHE HB3 A 20 PRO HBx 1.0 1.8 6.0 469 413 A 24 SER HBx A 56 ASN HBy 1.0 1.8 5.0 470 414 A 65 VAL HA A 65 VAL HB 1.0 1.8 4.0 471 415 A 42 ALA HA A 37 ALA HA 1.0 1.8 6.0 472 416 A 6 ARG HDy A 7 LEU HD2% 1.0 1.8 6.0 473 417 A 57 TRP HH2 A 57 TRP HZ3 1.0 1.8 5.0 474 418 A 49 PRO HB3 A 48 THR HG2% 1.0 1.8 6.0 475 419 A 6 ARG HA A 45 SER HBx 1.0 1.8 6.0 476 420 A 56 ASN HBy A 61 ILE HA 1.0 1.8 5.0 477 421 A 51 GLU HA A 52 THR HG2% 1.0 1.8 6.0 478 422 A 33 LEU HB3 A 33 LEU HD11 1.0 1.8 5.0 479 423 A 49 PRO HA A 49 PRO HDy 1.0 1.8 6.0 480 424 A 22 GLY HAy A 35 MET HGy 1.0 1.8 6.0 481 424 A 22 GLY HAy A 35 MET HGx 1.0 1.8 6.0 482 425 A 81 CYS HA A 65 VAL HB 1.0 1.8 6.0 483 426 A 61 ILE HB A 61 ILE HA 1.0 1.8 4.0 484 427 A 63 CYS HA A 63 CYS HBy 1.0 1.8 4.0 485 428 A 10 ILE HB A 10 ILE HA 1.0 1.8 5.0 486 429 A 55 VAL HGy% A 64 GLN HA 1.0 1.8 6.0 487 430 A 25 VAL HA A 44 LEU HDx% 1.0 1.8 6.0 488 431 A 27 SER HBy A 53 LEU HDy% 1.0 1.8 6.0 489 432 A 6 ARG HDy A 6 ARG HDx 1.0 1.8 2.8 490 433 A 66 ASN HBy A 66 ASN HBx 1.0 1.8 2.8 491 434 A 28 GLU HA A 28 GLU HBx 1.0 1.8 4.0 492 435 A 24 SER HA A 35 MET HGy 1.0 1.8 5.0 493 435 A 35 MET HGx A 24 SER HA 1.0 1.8 5.0 494 436 A 79 LEU HA A 79 LEU HG 1.0 1.8 5.0 495 437 A 6 ARG HGy A 45 SER HBx 1.0 1.8 5.0 496 438 A 49 PRO HDx A 48 THR HA 1.0 1.8 4.0 497 439 A 44 LEU HDx% A 34 GLY HAy 1.0 1.8 5.0 498 440 A 81 CYS HA A 63 CYS HA 1.0 1.8 5.0 499 441 A 56 ASN HA A 56 ASN HBx 1.0 1.8 4.0 500 442 A 78 LEU HBx A 78 LEU HA 1.0 1.8 4.0 501 443 A 55 VAL HGy% A 25 VAL HB 1.0 1.8 6.0 502 444 A 17 SER HBy A 13 LEU HBx 1.0 1.8 6.0 503 445 A 24 SER HBx A 35 MET HGy 1.0 1.8 5.0 504 445 A 24 SER HBx A 35 MET HGx 1.0 1.8 5.0 505 446 A 35 MET HGx A 24 SER HA 1.0 1.8 6.0 506 447 A 27 SER HA A 31 ARG HBx 1.0 1.8 6.0 507 448 A 51 GLU HBx A 66 ASN HA 1.0 1.8 6.0 508 449 A 31 ARG HBy A 27 SER HBy 1.0 1.8 5.0 509 450 A 13 LEU HA A 13 LEU HG 1.0 1.8 4.0 510 451 A 49 PRO HGy A 49 PRO HDy 1.0 1.8 5.0 511 452 A 27 SER HBx A 27 SER HA 1.0 1.8 4.0 512 453 A 7 LEU HD2% A 45 SER HBx 1.0 1.8 6.0 513 454 A 31 ARG HBy A 31 ARG HBx 1.0 1.8 2.8 514 455 A 57 TRP HE3 A 57 TRP HBx 1.0 1.8 6.0 515 456 A 42 ALA HB% A 25 VAL HGx% 1.0 1.8 5.0 516 457 A 30 GLY HAx A 26 THR HG2% 1.0 1.8 6.0 517 458 A 65 VAL HB A 53 LEU HDx% 1.0 1.8 5.0 518 459 A 36 VAL HB A 23 ALA HA 1.0 1.8 6.0 519 460 A 60 LYS HBy A 60 LYS HE2 1.0 1.8 5.0 520 460 A 60 LYS HE3 A 60 LYS HBy 1.0 1.8 5.0 521 461 A 62 GLN HGx A 62 GLN HBx 1.0 1.8 5.0 522 462 A 40 GLY HAy A 36 VAL HGy% 1.0 1.8 5.0 523 463 A 63 CYS HA A 55 VAL HB 1.0 1.8 6.0 524 464 A 7 LEU HD2% A 43 TRP HBy 1.0 1.8 6.0 525 465 A 81 CYS HA A 80 PRO HGy 1.0 1.8 5.0 526 465 A 79 LEU HA A 80 PRO HGy 1.0 1.8 5.0 527 466 A 26 THR HA A 32 GLU HA 1.0 1.8 4.0 528 467 A 80 PRO HDy A 80 PRO HGx 1.0 1.8 4.0 529 468 A 15 ASP HBx A 15 ASP HA 1.0 1.8 4.0 530 469 A 81 CYS HBx A 81 CYS HBy 1.0 1.8 4.0 531 470 A 48 THR HG2% A 49 PRO HDy 1.0 1.8 6.0 532 471 A 57 TRP HZ3 A 13 LEU HDx% 1.0 1.8 6.0 533 472 A 80 PRO HDy A 79 LEU HG 1.0 1.8 6.0 534 473 A 26 THR HB A 30 GLY HAy 1.0 1.8 5.0 535 474 A 64 GLN HGy A 64 GLN HBx 1.0 1.8 4.0 536 475 A 34 GLY HAx A 44 LEU HDx% 1.0 1.8 5.0 537 476 A 52 THR HA A 52 THR HB 1.0 1.8 5.0 538 477 A 40 GLY HAx A 18 GLN HGy 1.0 1.8 6.0 539 477 A 40 GLY HAx A 18 GLN HGx 1.0 1.8 6.0 540 478 A 21 PHE HE% A 38 ASP HA 1.0 1.8 6.0 541 479 A 65 VAL HG2% A 66 ASN HA 1.0 1.8 5.0 542 480 A 55 VAL HGx% A 55 VAL HB 1.0 1.8 4.0 543 481 A 55 VAL HGy% A 64 GLN HBx 1.0 1.8 4.0 544 482 A 23 ALA HA A 36 VAL HGy% 1.0 1.8 6.0 545 482 A 23 ALA HA A 36 VAL HGx% 1.0 1.8 6.0 546 483 A 8 PHE HBx A 8 PHE HBy 1.0 1.8 4.0 547 484 A 49 PRO HDy A 48 THR HB 1.0 1.8 4.0 548 485 A 18 GLN HGx A 36 VAL HGx% 1.0 1.8 6.0 549 485 A 18 GLN HGx A 36 VAL HGy% 1.0 1.8 6.0 550 486 A 81 CYS HA A 13 LEU HDx% 1.0 1.8 6.0 551 487 A 81 CYS HBx A 81 CYS HA 1.0 1.8 4.0 552 488 A 24 SER HBy A 56 ASN HBy 1.0 1.8 5.0 553 489 A 64 GLN HGy A 61 ILE HG1y 1.0 1.8 5.0 554 490 A 55 VAL HGy% A 65 VAL HA 1.0 1.8 6.0 555 491 A 24 SER HA A 35 MET HGy 1.0 1.8 6.0 556 492 A 61 ILE HG2% A 54 SER HA 1.0 1.8 6.0 557 493 A 17 SER HA A 17 SER HBx 1.0 1.8 4.0 558 494 A 13 LEU HBy A 17 SER HBy 1.0 1.8 6.0 559 495 A 66 ASN HA A 66 ASN HBx 1.0 1.8 4.0 560 496 A 19 PRO HA A 36 VAL HGy% 1.0 1.8 6.0 561 497 A 17 SER HA A 18 GLN HGx 1.0 1.8 5.0 562 498 A 62 GLN HA A 57 TRP HZ3 1.0 1.8 6.0 563 499 A 50 GLY HAx A 50 GLY HAy 1.0 1.8 4.0 564 500 A 36 VAL HB A 25 VAL HGx% 1.0 1.8 6.0 565 501 A 27 SER HBx A 31 ARG HBy 1.0 1.8 5.0 566 502 A 81 CYS HA A 80 PRO HDx 1.0 1.8 4.0 567 502 A 79 LEU HA A 80 PRO HDx 1.0 1.8 4.0 568 503 A 23 ALA HA A 57 TRP HE3 1.0 1.8 6.0 569 504 A 23 ALA HA A 57 TRP HD1 1.0 1.8 6.0 570 505 A 78 LEU HBx A 10 ILE HG2% 1.0 1.8 5.0 571 506 A 23 ALA HB% A 23 ALA HA 1.0 1.8 4.0 572 507 A 53 LEU HG A 53 LEU HBy 1.0 1.8 4.0 573 508 A 56 ASN HA A 62 GLN HGx 1.0 1.8 6.0 574 509 A 12 ARG HBx A 18 GLN HGx 1.0 1.8 6.0 575 510 A 45 SER HBy A 6 ARG HBx 1.0 1.8 6.0 576 511 A 53 LEU HBx A 27 SER HBx 1.0 1.8 6.0 577 512 A 9 ALA HA A 9 ALA HB% 1.0 1.8 4.0 578 513 A 18 GLN HBy A 57 TRP HH2 1.0 1.8 6.0 579 514 A 26 THR HG2% A 30 GLY HAy 1.0 1.8 6.0 580 515 A 32 GLU HA A 32 GLU HGy 1.0 1.8 5.0 581 516 A 38 ASP HA A 39 GLU HA 1.0 1.8 6.0 582 517 A 44 LEU HA A 34 GLY HAy 1.0 1.8 6.0 583 518 A 61 ILE HD1% A 54 SER HA 1.0 1.8 6.0 584 519 A 20 PRO HDy A 13 LEU HDy% 1.0 1.8 6.0 585 520 A 23 ALA HB% A 57 TRP HBx 1.0 1.8 5.0 586 521 A 48 THR HG2% A 49 PRO HGx 1.0 1.8 6.0 587 522 A 26 THR HA A 25 VAL HGy% 1.0 1.8 6.0 588 523 A 38 ASP HA A 39 GLU HGy 1.0 1.8 6.0 589 523 A 38 ASP HA A 39 GLU HGx 1.0 1.8 6.0 590 524 A 12 ARG HA A 12 ARG HDy 1.0 1.8 5.0 591 525 A 81 CYS HA A 53 LEU HBy 1.0 1.8 6.0 592 526 A 21 PHE HB3 A 37 ALA HA 1.0 1.8 6.0 593 527 A 61 ILE HB A 61 ILE HG1y 1.0 1.8 4.0 594 528 A 14 ALA HA A 14 ALA HB% 1.0 1.8 5.0 595 529 A 49 PRO HGx A 48 THR HA 1.0 1.8 5.0 596 530 A 56 ASN HBx A 61 ILE HA 1.0 1.8 5.0 597 531 A 18 GLN HBy A 18 GLN HGx 1.0 1.8 4.0 598 531 A 18 GLN HGx A 18 GLN HBx 1.0 1.8 4.0 599 532 A 56 ASN HA A 61 ILE HA 1.0 1.8 4.0 600 533 A 21 PHE HD% A 22 GLY HAy 1.0 1.8 6.0 601 534 A 60 LYS HGx A 60 LYS HBy 1.0 1.8 5.0 602 535 A 32 GLU HA A 32 GLU HGx 1.0 1.8 5.0 603 536 A 21 PHE HA A 37 ALA HA 1.0 1.8 5.0 604 537 A 31 ARG HA A 31 ARG HD2 1.0 1.8 5.0 605 537 A 31 ARG HA A 31 ARG HD3 1.0 1.8 5.0 606 538 A 55 VAL HGy% A 53 LEU HA 1.0 1.8 6.0 607 539 A 24 SER HBy A 35 MET HGx 1.0 1.8 6.0 608 540 A 42 ALA HA A 36 VAL HGy% 1.0 1.8 6.0 609 541 A 63 CYS HBx A 55 VAL HB 1.0 1.8 6.0 610 542 A 26 THR HB A 25 VAL HB 1.0 1.8 6.0 611 543 A 45 SER HBy A 45 SER HA 1.0 1.8 4.0 612 544 A 81 CYS HBy A 13 LEU HDx% 1.0 1.8 5.0 613 545 A 64 GLN HGx A 64 GLN HGy 1.0 1.8 4.0 614 546 A 61 ILE HG2% A 64 GLN HGy 1.0 1.8 6.0 615 547 A 43 TRP HBx A 43 TRP HA 1.0 1.8 5.0 616 548 A 20 PRO HBy A 13 LEU HDy% 1.0 1.8 6.0 617 549 A 55 VAL HB A 55 VAL HA 1.0 1.8 5.0 618 550 A 80 PRO HBy A 80 PRO HGx 1.0 1.8 4.0 619 551 A 45 SER HBy A 45 SER HBx 1.0 1.8 2.8 620 552 A 44 LEU HDy% A 44 LEU HA 1.0 1.8 5.0 621 553 A 62 GLN HA A 62 GLN HGy 1.0 1.8 5.0 622 554 A 10 ILE HB A 78 LEU HA 1.0 1.8 4.0 623 555 A 26 THR HG2% A 32 GLU HA 1.0 1.8 5.0 624 556 A 62 GLN HGy A 57 TRP HA 1.0 1.8 6.0 625 557 A 24 SER HBx A 24 SER HBy 1.0 1.8 2.8 626 558 A 62 GLN HGy A 62 GLN HBx 1.0 1.8 5.0 627 559 A 57 TRP HZ2 A 57 TRP HH2 1.0 1.8 5.0 628 560 A 18 GLN HBy A 18 GLN HGy 1.0 1.8 4.0 629 560 A 18 GLN HBx A 18 GLN HGy 1.0 1.8 4.0 630 560 A 18 GLN HGx A 18 GLN HBx 1.0 1.8 4.0 631 560 A 18 GLN HBy A 18 GLN HGx 1.0 1.8 4.0 632 561 A 53 LEU HDy% A 55 VAL HB 1.0 1.8 6.0 633 562 A 30 GLY HAx A 30 GLY HAy 1.0 1.8 4.0 634 563 A 25 VAL HGy% A 25 VAL HGx% 1.0 1.8 5.0 635 564 A 23 ALA HA A 57 TRP HBy 1.0 1.8 5.0 636 565 A 23 ALA HA A 36 VAL HGy% 1.0 1.8 6.0 637 566 A 81 CYS HBx A 13 LEU HDy% 1.0 1.8 6.0 638 567 A 64 GLN HGy A 64 GLN HA 1.0 1.8 5.0 639 568 A 40 GLY HAy A 18 GLN HBx 1.0 1.8 5.0 640 568 A 40 GLY HAy A 18 GLN HBy 1.0 1.8 5.0 641 569 A 13 LEU HDy% A 18 GLN HBx 1.0 1.8 6.0 642 570 A 32 GLU HGx A 32 GLU HBy 1.0 1.8 4.0 643 570 A 32 GLU HBx A 32 GLU HGx 1.0 1.8 4.0 644 571 A 10 ILE HB A 10 ILE HG1x 1.0 1.8 5.0 645 572 A 39 GLU HBy A 39 GLU HA 1.0 1.8 4.0 646 573 A 43 TRP HD1 A 43 TRP HA 1.0 1.8 5.0 647 574 A 57 TRP HZ2 A 13 LEU HDy% 1.0 1.8 6.0 648 575 A 13 LEU HBy A 13 LEU HDx% 1.0 1.8 6.0 649 576 A 20 PRO HBy A 20 PRO HBx 1.0 1.8 4.0 650 577 A 53 LEU HA A 53 LEU HDx% 1.0 1.8 6.0 651 578 A 40 GLY HAx A 18 GLN HA 1.0 1.8 6.0 652 579 A 33 LEU HA A 46 GLY HAx 1.0 1.8 6.0 653 580 A 64 GLN HA A 54 SER HBy 1.0 1.8 6.0 654 580 A 54 SER HBx A 64 GLN HA 1.0 1.8 6.0 655 581 A 81 CYS HA A 65 VAL HG2% 1.0 1.8 5.0 656 582 A 23 ALA HA A 35 MET HBx 1.0 1.8 6.0 657 583 A 60 LYS HGy A 57 TRP HBx 1.0 1.8 6.0 658 584 A 25 VAL HGx% A 24 SER HA 1.0 1.8 6.0 659 585 A 21 PHE HD% A 38 ASP HA 1.0 1.8 6.0 660 586 A 25 VAL HA A 25 VAL HGx% 1.0 1.8 4.0 661 587 A 25 VAL HB A 32 GLU HA 1.0 1.8 6.0 662 588 A 37 ALA HB% A 37 ALA HA 1.0 1.8 5.0 663 589 A 25 VAL HA A 55 VAL HGx% 1.0 1.8 6.0 664 590 A 24 SER HBx A 24 SER HA 1.0 1.8 4.0 665 591 A 56 ASN HA A 57 TRP HA 1.0 1.8 6.0 666 592 A 32 GLU HBx A 32 GLU HGx 1.0 1.8 4.0 667 593 A 62 GLN HGy A 62 GLN HBy 1.0 1.8 5.0 668 594 A 57 TRP HD1 A 60 LYS HGy 1.0 1.8 6.0 669 595 A 81 CYS HA A 63 CYS HBx 1.0 1.8 6.0 670 596 A 25 VAL HGy% A 44 LEU HDx% 1.0 1.8 5.0 671 597 A 45 SER HBy A 6 ARG HDy 1.0 1.8 6.0 672 598 A 24 SER HBx A 61 ILE HG1y 1.0 1.8 5.0 673 599 A 25 VAL HGy% A 44 LEU HBy 1.0 1.8 6.0 674 600 A 84 GLN HA A 84 GLN HGx 1.0 1.8 4.0 675 600 A 84 GLN HA A 84 GLN HGy 1.0 1.8 4.0 676 601 A 13 LEU HA A 13 LEU HBy 1.0 1.8 5.0 677 602 A 18 GLN HGy A 36 VAL HGy% 1.0 1.8 6.0 678 602 A 18 GLN HGx A 36 VAL HGy% 1.0 1.8 6.0 679 603 A 21 PHE HB3 A 21 PHE HA 1.0 1.8 4.0 680 604 A 37 ALA HB% A 38 ASP HBy 1.0 1.8 6.0 681 605 A 20 PRO HDy A 20 PRO HBx 1.0 1.8 5.0 682 606 A 40 GLY HAx A 36 VAL HGy% 1.0 1.8 5.0 683 607 A 18 GLN HA A 17 SER HBy 1.0 1.8 6.0 684 608 A 20 PRO HDx A 20 PRO HA 1.0 1.8 6.0 685 609 A 8 PHE HA A 7 LEU HD2% 1.0 1.8 6.0 686 610 A 49 PRO HGx A 49 PRO HDy 1.0 1.8 5.0 687 611 A 45 SER HA A 6 ARG HDx 1.0 1.8 6.0 688 612 A 13 LEU HBy A 13 LEU HG 1.0 1.8 5.0 689 613 A 6 ARG HGy A 6 ARG HDx 1.0 1.8 5.0 690 614 A 7 LEU HD2% A 45 SER HA 1.0 1.8 6.0 691 615 A 13 LEU HDy% A 13 LEU HDx% 1.0 1.8 5.0 692 616 A 20 PRO HDy A 20 PRO HDx 1.0 1.8 4.0 693 617 A 34 GLY HAx A 35 MET HBx 1.0 1.8 6.0 694 617 A 35 MET HBy A 34 GLY HAx 1.0 1.8 6.0 695 618 A 19 PRO HA A 18 GLN HA 1.0 1.8 6.0 696 619 A 53 LEU HG A 53 LEU HDx% 1.0 1.8 6.0 697 619 A 53 LEU HBx A 53 LEU HDx% 1.0 1.8 6.0 698 620 A 41 LEU HA A 10 ILE HG1x 1.0 1.8 6.0 699 621 A 64 GLN HGy A 54 SER HA 1.0 1.8 5.0 700 622 A 60 LYS HGy A 60 LYS HGx 1.0 1.8 4.0 701 623 A 26 THR HB A 26 THR HA 1.0 1.8 4.0 702 624 A 38 ASP HBx A 39 GLU HGy 1.0 1.8 5.0 703 624 A 38 ASP HBy A 39 GLU HGy 1.0 1.8 5.0 704 625 A 47 VAL HB A 47 VAL HA 1.0 1.8 5.0 705 626 A 33 LEU HA A 33 LEU HB3 1.0 1.8 5.0 706 627 A 10 ILE HA A 10 ILE HG1x 1.0 1.8 5.0 707 628 A 7 LEU HD2% A 6 ARG HA 1.0 1.8 6.0 708 629 A 72 ILE HB A 71 ALA HB% 1.0 1.8 6.0 709 630 A 20 PRO HDy A 20 PRO HA 1.0 1.8 6.0 710 631 A 33 LEU HDy% A 33 LEU HD11 1.0 1.8 5.0 711 632 A 36 VAL HB A 36 VAL HA 1.0 1.8 5.0 712 633 A 56 ASN HA A 62 GLN HBy 1.0 1.8 6.0 713 634 A 80 PRO HDy A 79 LEU HBx 1.0 1.8 6.0 714 634 A 80 PRO HDy A 79 LEU HBy 1.0 1.8 6.0 715 635 A 27 SER HBx A 27 SER HBy 1.0 1.8 4.0 716 636 A 22 GLY HAy A 35 MET HBx 1.0 1.8 6.0 717 637 A 23 ALA HB% A 57 TRP HBy 1.0 1.8 6.0 718 638 A 78 LEU HA A 10 ILE HG1x 1.0 1.8 6.0 719 639 A 26 THR HA A 30 GLY HAy 1.0 1.8 6.0 720 640 A 61 ILE HG2% A 54 SER HBy 1.0 1.8 6.0 721 640 A 54 SER HBx A 61 ILE HG2% 1.0 1.8 6.0 722 641 A 44 LEU HBx A 44 LEU HA 1.0 1.8 5.0 723 642 A 57 TRP HA A 57 TRP HBy 1.0 1.8 4.0 724 643 A 63 CYS HBx A 63 CYS HBy 1.0 1.8 4.0 725 644 A 61 ILE HD1% A 64 GLN HA 1.0 1.8 6.0 726 645 A 78 LEU HA A 10 ILE HG2% 1.0 1.8 5.0 727 646 A 47 VAL HGy% A 47 VAL HA 1.0 1.8 4.0 728 647 A 21 PHE HB3 A 20 PRO HDx 1.0 1.8 6.0 729 648 A 35 MET HBy A 35 MET HBx 1.0 1.8 2.8 730 649 A 53 LEU HBx A 27 SER HBy 1.0 1.8 6.0 731 650 A 61 ILE HB A 61 ILE HG2% 1.0 1.8 4.0 732 651 A 28 GLU HA A 28 GLU HBy 1.0 1.8 4.0 733 652 A 19 PRO HA A 20 PRO HA 1.0 1.8 6.0 734 653 A 21 PHE HE% A 37 ALA HA 1.0 1.8 6.0 735 654 A 81 CYS HA A 13 LEU HDy% 1.0 1.8 6.0 736 655 A 35 MET HA A 24 SER HA 1.0 1.8 4.0 737 656 A 49 PRO HB3 A 49 PRO HDy 1.0 1.8 5.0 738 657 A 57 TRP HBy A 57 TRP HBx 1.0 1.8 4.0 739 658 A 64 GLN HGx A 54 SER HBy 1.0 1.8 6.0 740 658 A 64 GLN HGx A 54 SER HBx 1.0 1.8 6.0 741 659 A 10 ILE HG2% A 78 LEU HBy 1.0 1.8 5.0 742 660 A 27 SER HA A 53 LEU HBy 1.0 1.8 6.0 743 661 A 59 GLY HAx A 59 GLY HAy 1.0 1.8 4.0 744 662 A 64 GLN HA A 64 GLN HBy 1.0 1.8 4.0 745 662 A 64 GLN HA A 64 GLN HBx 1.0 1.8 4.0 746 663 A 65 VAL HA A 65 VAL HG2% 1.0 1.8 4.0 747 664 A 81 CYS HBy A 65 VAL HG2% 1.0 1.8 6.0 748 665 A 38 ASP HA A 38 ASP HBx 1.0 1.8 4.0 749 666 A 49 PRO HB3 A 49 PRO HA 1.0 1.8 4.0 750 667 A 48 THR HG2% A 48 THR HA 1.0 1.8 5.0 751 668 A 84 GLN HBy A 84 GLN HGx 1.0 1.8 4.0 752 668 A 84 GLN HBy A 84 GLN HGy 1.0 1.8 4.0 753 669 A 80 PRO HA A 80 PRO HGx 1.0 1.8 4.0 754 670 A 78 LEU HBx A 78 LEU HBy 1.0 1.8 4.0 755 671 A 44 LEU HDx% A 33 LEU HDy% 1.0 1.8 6.0 756 672 A 65 VAL HA A 81 CYS HBx 1.0 1.8 6.0 757 673 A 23 ALA HB% A 57 TRP HA 1.0 1.8 6.0 758 674 A 7 LEU HG A 7 LEU HA 1.0 1.8 5.0 759 675 A 37 ALA HA A 36 VAL HGy% 1.0 1.8 6.0 760 676 A 35 MET HBy A 22 GLY HAx 1.0 1.8 6.0 761 677 A 27 SER HA A 53 LEU HDy% 1.0 1.8 4.0 762 678 A 13 LEU HDy% A 13 LEU HBy 1.0 1.8 6.0 763 679 A 58 ASP HBy A 58 ASP HBx 1.0 1.8 2.8 764 680 A 18 GLN HBx A 36 VAL HGy% 1.0 1.8 6.0 765 681 A 82 THR HG2% A 82 THR HB 1.0 1.8 4.0 766 682 A 18 GLN HBy A 36 VAL HGy% 1.0 1.8 5.0 767 683 A 10 ILE HG2% A 10 ILE HG1x 1.0 1.8 4.0 768 684 A 31 ARG HBy A 31 ARG HD2 1.0 1.8 5.0 769 684 A 31 ARG HBy A 31 ARG HD3 1.0 1.8 5.0 770 685 A 35 MET HBy A 35 MET HGx 1.0 1.8 5.0 771 685 A 35 MET HBy A 35 MET HGy 1.0 1.8 5.0 772 686 A 56 ASN HA A 62 GLN HGy 1.0 1.8 6.0 773 687 A 24 SER HBx A 23 ALA HB% 1.0 1.8 6.0 774 688 A 49 PRO HGy A 49 PRO HA 1.0 1.8 5.0 775 689 A 39 GLU HA A 39 GLU HGy 1.0 1.8 4.0 776 689 A 39 GLU HGx A 39 GLU HA 1.0 1.8 4.0 777 690 A 17 SER HA A 17 SER HBy 1.0 1.8 4.0 778 691 A 53 LEU HBx A 27 SER HA 1.0 1.8 6.0 779 692 A 80 PRO HA A 79 LEU HA 1.0 1.8 6.0 780 693 A 54 SER HA A 64 GLN HBx 1.0 1.8 5.0 781 694 A 13 LEU HG A 13 LEU HBx 1.0 1.8 4.0 782 695 A 53 LEU HG A 65 VAL HG2% 1.0 1.8 5.0 783 696 A 81 CYS HA A 81 CYS HBy 1.0 1.8 5.0 784 697 A 17 SER HBy A 17 SER HBx 1.0 1.8 2.8 785 698 A 6 ARG HGy A 6 ARG HDy 1.0 1.8 4.0 786 699 A 28 GLU HA A 28 GLU HGy 1.0 1.8 4.0 787 700 A 25 VAL HGy% A 34 GLY HAy 1.0 1.8 6.0 788 701 A 21 PHE HB3 A 38 ASP HA 1.0 1.8 5.0 789 702 A 52 THR HG2% A 52 THR HB 1.0 1.8 5.0 790 703 A 13 LEU HDy% A 17 SER HBy 1.0 1.8 6.0 791 704 A 60 LYS HGy A 57 TRP HBy 1.0 1.8 6.0 792 705 A 39 GLU HBx A 39 GLU HGy 1.0 1.8 4.0 793 705 A 39 GLU HGx A 39 GLU HBx 1.0 1.8 4.0 794 706 A 26 THR HB A 32 GLU HA 1.0 1.8 5.0 795 707 A 34 GLY HAy A 34 GLY H 1.0 1.8 4.0 796 708 A 40 GLY HAy A 40 GLY H 1.0 1.8 4.0 797 709 A 31 ARG H A 27 SER H 1.0 1.8 5.0 798 710 A 7 LEU HA A 7 LEU H 1.0 1.8 5.0 799 711 A 47 VAL HGy% A 48 THR H 1.0 1.8 5.0 800 712 A 15 ASP H A 16 GLY H 1.0 1.8 4.0 801 713 A 84 GLN HE22 A 84 GLN HE21 1.0 1.8 2.5 802 714 A 28 GLU HBy A 28 GLU H 1.0 1.8 4.0 803 715 A 60 LYS HGy A 60 LYS H 1.0 1.8 5.0 804 716 A 8 PHE HBx A 8 PHE H 1.0 1.8 4.0 805 717 A 31 ARG HBx A 31 ARG H 1.0 1.8 4.0 806 718 A 51 GLU HBx A 51 GLU H 1.0 1.8 4.0 807 719 A 80 PRO HA A 81 CYS H 1.0 1.8 2.8 808 720 A 13 LEU HG A 14 ALA H 1.0 1.8 5.0 809 721 A 36 VAL HB A 36 VAL H 1.0 1.8 4.0 810 722 A 71 ALA H A 72 ILE H 1.0 1.8 5.0 811 723 A 43 TRP HZ2 A 43 TRP HE1 1.0 1.8 4.0 812 724 A 75 GLN H A 74 ASP H 1.0 1.8 5.0 813 725 A 24 SER H A 56 ASN H 1.0 1.8 5.0 814 726 A 6 ARG H A 7 LEU H 1.0 1.8 5.0 815 727 A 65 VAL HA A 66 ASN H 1.0 1.8 2.8 816 728 A 10 ILE HA A 42 ALA H 1.0 1.8 5.0 817 729 A 11 LEU HA A 11 LEU H 1.0 1.8 4.0 818 730 A 36 VAL H A 37 ALA H 1.0 1.8 5.0 819 731 A 22 GLY H A 23 ALA H 1.0 1.8 4.0 820 732 A 43 TRP HBx A 43 TRP H 1.0 1.8 4.0 821 733 A 56 ASN HBx A 56 ASN HD22 1.0 1.8 5.0 822 734 A 26 THR HA A 27 SER H 1.0 1.8 4.0 823 735 A 21 PHE HA A 21 PHE H 1.0 1.8 4.0 824 736 A 31 ARG HA A 27 SER H 1.0 1.8 5.0 825 737 A 61 ILE HG2% A 61 ILE H 1.0 1.8 5.0 826 738 A 84 GLN HBx A 84 GLN H 1.0 1.8 4.0 827 739 A 65 VAL HB A 53 LEU H 1.0 1.8 5.0 828 740 A 35 MET H A 36 VAL H 1.0 1.8 5.0 829 741 A 84 GLN HA A 84 GLN H 1.0 1.8 4.0 830 742 A 42 ALA HB% A 42 ALA H 1.0 1.8 5.0 831 743 A 75 GLN HE22 A 75 GLN HE21 1.0 1.8 2.5 832 744 A 25 VAL HB A 25 VAL H 1.0 1.8 4.0 833 745 A 45 SER HBx A 45 SER H 1.0 1.8 5.0 834 746 A 34 GLY HAy A 35 MET H 1.0 1.8 4.0 835 747 A 16 GLY HAy A 16 GLY H 1.0 1.8 4.0 836 748 A 57 TRP HA A 57 TRP H 1.0 1.8 4.0 837 749 A 57 TRP HD1 A 57 TRP HE1 1.0 1.8 2.8 838 750 A 25 VAL H A 26 THR H 1.0 1.8 6.0 839 751 A 55 VAL HGy% A 63 CYS H 1.0 1.8 6.0 840 752 A 52 THR HG2% A 65 VAL H 1.0 1.8 6.0 841 753 A 39 GLU HA A 40 GLY H 1.0 1.8 4.0 842 754 A 27 SER H A 30 GLY H 1.0 1.8 5.0 843 755 A 58 ASP HBx A 58 ASP H 1.0 1.8 5.0 844 756 A 62 GLN H A 63 CYS H 1.0 1.8 4.0 845 757 A 57 TRP H A 62 GLN H 1.0 1.8 5.0 846 758 A 56 ASN HBy A 56 ASN HD21 1.0 1.8 5.0 847 759 A 48 THR HG2% A 48 THR H 1.0 1.8 6.0 848 760 A 17 SER HBx A 18 GLN H 1.0 1.8 4.0 849 761 A 59 GLY HAx A 60 LYS H 1.0 1.8 5.0 850 762 A 14 ALA H A 13 LEU H 1.0 1.8 4.0 851 763 A 66 ASN HBx A 66 ASN H 1.0 1.8 4.0 852 764 A 27 SER HBx A 30 GLY H 1.0 1.8 5.0 853 765 A 58 ASP HBx A 62 GLN HE22 1.0 1.8 5.0 854 766 A 59 GLY HAy A 59 GLY H 1.0 1.8 4.0 855 767 A 62 GLN HBy A 63 CYS H 1.0 1.8 5.0 856 768 A 61 ILE HA A 61 ILE H 1.0 1.8 4.0 857 769 A 54 SER HA A 26 THR H 1.0 1.8 4.0 858 770 A 25 VAL HB A 26 THR H 1.0 1.8 5.0 859 771 A 78 LEU HA A 77 LEU H 1.0 1.8 4.0 860 772 A 3 LYS H A 3 LYS HA 1.0 1.8 5.0 861 773 A 47 VAL HB A 48 THR H 1.0 1.8 5.0 862 774 A 67 VAL HA A 50 GLY H 1.0 1.8 4.0 863 775 A 32 GLU H A 32 GLU HBy 1.0 1.8 4.0 864 775 A 32 GLU HBx A 32 GLU H 1.0 1.8 4.0 865 775 A 32 GLU HGy A 32 GLU H 1.0 1.8 4.0 866 776 A 41 LEU HA A 11 LEU H 1.0 1.8 5.0 867 777 A 70 THR H A 69 GLU HG2 1.0 1.8 5.0 868 777 A 70 THR H A 69 GLU HG3 1.0 1.8 5.0 869 778 A 61 ILE HG2% A 63 CYS H 1.0 1.8 5.0 870 779 A 65 VAL HG2% A 65 VAL H 1.0 1.8 5.0 871 780 A 82 THR HA A 82 THR H 1.0 1.8 4.0 872 781 A 18 GLN HE22 A 18 GLN HE21 1.0 1.8 2.5 873 782 A 70 THR H A 69 GLU HBy 1.0 1.8 4.0 874 782 A 70 THR H A 69 GLU HBx 1.0 1.8 4.0 875 783 A 53 LEU HBx A 53 LEU H 1.0 1.8 4.0 876 783 A 53 LEU HG A 53 LEU H 1.0 1.8 4.0 877 784 A 26 THR HG2% A 26 THR H 1.0 1.8 5.0 878 785 A 26 THR HG2% A 56 ASN HD21 1.0 1.8 5.0 879 786 A 30 GLY HAy A 30 GLY H 1.0 1.8 4.0 880 787 A 7 LEU HG A 8 PHE H 1.0 1.8 4.0 881 788 A 41 LEU H A 37 ALA H 1.0 1.8 5.0 882 789 A 33 LEU H A 34 GLY H 1.0 1.8 4.0 883 790 A 7 LEU HG A 45 SER H 1.0 1.8 5.0 884 791 A 53 LEU HBy A 65 VAL H 1.0 1.8 5.0 885 792 A 23 ALA HA A 24 SER H 1.0 1.8 2.8 886 793 A 62 GLN HBx A 61 ILE H 1.0 1.8 5.0 887 794 A 28 GLU HA A 28 GLU H 1.0 1.8 4.0 888 795 A 43 TRP HA A 43 TRP H 1.0 1.8 2.8 889 796 A 13 LEU HBy A 15 ASP H 1.0 1.8 4.0 890 797 A 7 LEU HD2% A 45 SER H 1.0 1.8 5.0 891 798 A 62 GLN HGy A 62 GLN HE21 1.0 1.8 5.0 892 799 A 4 GLY HAx A 74 ASP H 1.0 1.8 5.0 893 800 A 61 ILE HA A 62 GLN H 1.0 1.8 4.0 894 801 A 13 LEU HDy% A 13 LEU H 1.0 1.8 5.0 895 802 A 30 GLY HAx A 31 ARG H 1.0 1.8 5.0 896 803 A 41 LEU HB3 A 41 LEU H 1.0 1.8 2.8 897 804 A 56 ASN HA A 62 GLN H 1.0 1.8 4.0 898 805 A 14 ALA HB% A 15 ASP H 1.0 1.8 5.0 899 806 A 52 THR HG2% A 51 GLU H 1.0 1.8 6.0 900 807 A 56 ASN HD22 A 56 ASN HD21 1.0 1.8 2.8 901 808 A 44 LEU HBx A 44 LEU H 1.0 1.8 5.0 902 809 A 64 GLN HGx A 64 GLN H 1.0 1.8 5.0 903 810 A 44 LEU HA A 44 LEU H 1.0 1.8 4.0 904 811 A 17 SER HA A 18 GLN H 1.0 1.8 4.0 905 812 A 35 MET HBy A 35 MET H 1.0 1.8 4.0 906 812 A 35 MET H A 35 MET HBx 1.0 1.8 4.0 907 813 A 4 GLY HAx A 5 LYS H 1.0 1.8 5.0 908 814 A 26 THR H A 54 SER H 1.0 1.8 5.0 909 815 A 60 LYS HBy A 60 LYS H 1.0 1.8 4.0 910 816 A 76 GLN H A 76 GLN HGy 1.0 1.8 4.0 911 816 A 76 GLN H A 76 GLN HGx 1.0 1.8 4.0 912 817 A 61 ILE HA A 57 TRP H 1.0 1.8 5.0 913 818 A 57 TRP HE1 A 62 GLN HE21 1.0 1.8 5.0 914 819 A 67 VAL HA A 51 GLU H 1.0 1.8 4.0 915 820 A 84 GLN H A 84 GLN HGx 1.0 1.8 5.0 916 820 A 84 GLN HGy A 84 GLN H 1.0 1.8 5.0 917 821 A 50 GLY HAy A 51 GLU H 1.0 1.8 5.0 918 822 A 36 VAL HA A 36 VAL H 1.0 1.8 5.0 919 823 A 27 SER HBx A 27 SER H 1.0 1.8 4.0 920 824 A 10 ILE HB A 79 LEU H 1.0 1.8 4.0 921 825 A 7 LEU HD2% A 7 LEU H 1.0 1.8 6.0 922 826 A 15 ASP HBy A 15 ASP H 1.0 1.8 4.0 923 827 A 8 PHE HBy A 77 LEU H 1.0 1.8 5.0 924 828 A 56 ASN HBy A 57 TRP H 1.0 1.8 5.0 925 829 A 25 VAL HGy% A 44 LEU H 1.0 1.8 6.0 926 830 A 44 LEU HDy% A 35 MET H 1.0 1.8 6.0 927 831 A 59 GLY HAy A 60 LYS H 1.0 1.8 5.0 928 832 A 76 GLN HE22 A 76 GLN HGy 1.0 1.8 4.0 929 833 A 69 GLU H A 69 GLU HG2 1.0 1.8 5.0 930 833 A 69 GLU HG3 A 69 GLU H 1.0 1.8 5.0 931 834 A 75 GLN HE21 A 75 GLN HGx 1.0 1.8 4.0 932 834 A 75 GLN HE21 A 75 GLN HGy 1.0 1.8 4.0 933 835 A 10 ILE HA A 11 LEU H 1.0 1.8 4.0 934 836 A 62 GLN HGy A 62 GLN H 1.0 1.8 5.0 935 837 A 15 ASP HA A 15 ASP H 1.0 1.8 4.0 936 838 A 66 ASN HA A 66 ASN H 1.0 1.8 4.0 937 839 A 71 ALA HA A 71 ALA H 1.0 1.8 4.0 938 840 A 51 GLU H A 51 GLU HGy 1.0 1.8 4.0 939 841 A 75 GLN HE22 A 75 GLN HBy 1.0 1.8 5.0 940 841 A 75 GLN HE22 A 75 GLN HBx 1.0 1.8 5.0 941 842 A 21 PHE HA A 23 ALA H 1.0 1.8 5.0 942 843 A 55 VAL HGx% A 63 CYS H 1.0 1.8 6.0 943 844 A 76 GLN HE21 A 76 GLN HGy 1.0 1.8 5.0 944 845 A 84 GLN HE22 A 84 GLN HGx 1.0 1.8 5.0 945 845 A 84 GLN HGy A 84 GLN HE22 1.0 1.8 5.0 946 846 A 4 GLY HAx A 6 ARG H 1.0 1.8 5.0 947 847 A 13 LEU HBy A 16 GLY H 1.0 1.8 5.0 948 848 A 10 ILE H A 42 ALA H 1.0 1.8 5.0 949 849 A 10 ILE HG2% A 79 LEU H 1.0 1.8 5.0 950 850 A 10 ILE H A 79 LEU H 1.0 1.8 5.0 951 851 A 22 GLY HAy A 23 ALA H 1.0 1.8 5.0 952 852 A 64 GLN HA A 65 VAL H 1.0 1.8 4.0 953 853 A 8 PHE HA A 8 PHE H 1.0 1.8 5.0 954 854 A 55 VAL H A 54 SER HBy 1.0 1.8 5.0 955 854 A 54 SER HBx A 55 VAL H 1.0 1.8 5.0 956 855 A 24 SER H A 25 VAL H 1.0 1.8 5.0 957 856 A 26 THR HA A 26 THR H 1.0 1.8 5.0 958 857 A 17 SER HBx A 17 SER H 1.0 1.8 4.0 959 858 A 13 LEU H A 13 LEU HDx% 1.0 1.8 6.0 960 859 A 40 GLY HAx A 41 LEU H 1.0 1.8 5.0 961 860 A 15 ASP H A 14 ALA H 1.0 1.8 5.0 962 861 A 52 THR HB A 52 THR H 1.0 1.8 4.0 963 862 A 23 ALA HA A 23 ALA H 1.0 1.8 4.0 964 863 A 13 LEU HBy A 14 ALA H 1.0 1.8 4.0 965 864 A 12 ARG HA A 12 ARG H 1.0 1.8 4.0 966 865 A 6 ARG HA A 46 GLY H 1.0 1.8 5.0 967 866 A 44 LEU H A 45 SER H 1.0 1.8 5.0 968 867 A 32 GLU HA A 32 GLU H 1.0 1.8 2.8 969 868 A 56 ASN HBx A 56 ASN H 1.0 1.8 5.0 970 869 A 15 ASP HBx A 15 ASP H 1.0 1.8 4.0 971 870 A 51 GLU HA A 51 GLU H 1.0 1.8 4.0 972 871 A 56 ASN HA A 56 ASN H 1.0 1.8 5.0 973 872 A 11 LEU HA A 12 ARG H 1.0 1.8 4.0 974 873 A 16 GLY HAx A 16 GLY H 1.0 1.8 4.0 975 874 A 54 SER H A 55 VAL H 1.0 1.8 6.0 976 875 A 53 LEU HBx A 65 VAL H 1.0 1.8 5.0 977 876 A 40 GLY HAx A 40 GLY H 1.0 1.8 4.0 978 877 A 75 GLN H A 75 GLN HGx 1.0 1.8 4.0 979 877 A 75 GLN H A 75 GLN HGy 1.0 1.8 4.0 980 878 A 33 LEU HD11 A 27 SER H 1.0 1.8 5.0 981 879 A 16 GLY HAx A 17 SER H 1.0 1.8 5.0 982 880 A 36 VAL H A 36 VAL HGy% 1.0 1.8 4.0 983 881 A 17 SER HBy A 18 GLN H 1.0 1.8 4.0 984 882 A 53 LEU H A 65 VAL H 1.0 1.8 4.0 985 883 A 61 ILE HA A 63 CYS H 1.0 1.8 5.0 986 884 A 33 LEU HB3 A 33 LEU H 1.0 1.8 5.0 987 885 A 52 THR HA A 53 LEU H 1.0 1.8 2.8 988 886 A 6 ARG HBy A 46 GLY H 1.0 1.8 5.0 989 886 A 46 GLY H A 6 ARG HBx 1.0 1.8 5.0 990 887 A 37 ALA HA A 22 GLY H 1.0 1.8 5.0 991 888 A 39 GLU HBx A 39 GLU H 1.0 1.8 5.0 992 889 A 23 ALA H A 24 SER H 1.0 1.8 4.0 993 890 A 27 SER HBx A 31 ARG H 1.0 1.8 5.0 994 891 A 36 VAL HA A 37 ALA H 1.0 1.8 4.0 995 892 A 10 ILE HB A 10 ILE H 1.0 1.8 4.0 996 893 A 23 ALA HB% A 22 GLY H 1.0 1.8 6.0 997 894 A 7 LEU H A 44 LEU H 1.0 1.8 5.0 998 895 A 13 LEU H A 16 GLY H 1.0 1.8 6.0 999 896 A 46 GLY HAx A 46 GLY H 1.0 1.8 4.0 1000 897 A 62 GLN HBx A 63 CYS H 1.0 1.8 5.0 1001 898 A 23 ALA HB% A 56 ASN H 1.0 1.8 6.0 1002 899 A 31 ARG HBy A 31 ARG H 1.0 1.8 4.0 1003 900 A 56 ASN HA A 63 CYS H 1.0 1.8 5.0 1004 901 A 47 VAL HA A 47 VAL H 1.0 1.8 5.0 1005 902 A 7 LEU HD2% A 46 GLY H 1.0 1.8 6.0 1006 903 A 22 GLY HAx A 22 GLY H 1.0 1.8 4.0 1007 904 A 24 SER HA A 24 SER H 1.0 1.8 4.0 1008 905 A 7 LEU HG A 7 LEU H 1.0 1.8 4.0 1009 906 A 41 LEU HD2% A 41 LEU H 1.0 1.8 5.0 1010 907 A 57 TRP HA A 59 GLY H 1.0 1.8 5.0 1011 908 A 23 ALA HB% A 24 SER H 1.0 1.8 5.0 1012 909 A 51 GLU HGx A 51 GLU H 1.0 1.8 4.0 1013 910 A 60 LYS H A 57 TRP H 1.0 1.8 4.0 1014 911 A 61 ILE HB A 62 GLN H 1.0 1.8 5.0 1015 912 A 61 ILE HG2% A 55 VAL H 1.0 1.8 5.0 1016 913 A 30 GLY HAx A 30 GLY H 1.0 1.8 4.0 1017 914 A 35 MET HA A 35 MET H 1.0 1.8 5.0 1018 915 A 44 LEU HDx% A 45 SER H 1.0 1.8 5.0 1019 916 A 34 GLY HAx A 34 GLY H 1.0 1.8 4.0 1020 917 A 25 VAL HA A 26 THR H 1.0 1.8 2.8 1021 918 A 18 GLN H A 17 SER H 1.0 1.8 5.0 1022 919 A 62 GLN HGx A 62 GLN H 1.0 1.8 5.0 1023 920 A 7 LEU HD2% A 8 PHE H 1.0 1.8 5.0 1024 921 A 26 THR HG2% A 56 ASN HD22 1.0 1.8 6.0 1025 922 A 75 GLN H A 76 GLN H 1.0 1.8 5.0 1026 923 A 75 GLN H A 75 GLN HA 1.0 1.8 4.0 1027 924 A 69 GLU HA A 70 THR H 1.0 1.8 5.0 1028 925 A 11 LEU HBy A 11 LEU H 1.0 1.8 4.0 1029 926 A 58 ASP HBx A 62 GLN HE21 1.0 1.8 5.0 1030 927 A 62 GLN HGx A 62 GLN HE21 1.0 1.8 4.0 1031 928 A 41 LEU HA A 41 LEU H 1.0 1.8 4.0 1032 929 A 75 GLN HE21 A 75 GLN HBy 1.0 1.8 5.0 1033 929 A 75 GLN HE21 A 75 GLN HBx 1.0 1.8 5.0 1034 930 A 6 ARG H A 6 ARG HBx 1.0 1.8 4.0 1035 930 A 6 ARG HBy A 6 ARG H 1.0 1.8 4.0 1036 931 A 6 ARG HGy A 6 ARG H 1.0 1.8 5.0 1037 932 A 31 ARG H A 32 GLU H 1.0 1.8 5.0 1038 933 A 78 LEU HBx A 78 LEU H 1.0 1.8 4.0 1039 934 A 56 ASN HA A 55 VAL H 1.0 1.8 5.0 1040 935 A 58 ASP HBy A 58 ASP H 1.0 1.8 5.0 1041 936 A 58 ASP HA A 58 ASP H 1.0 1.8 4.0 1042 937 A 13 LEU HG A 13 LEU H 1.0 1.8 4.0 1043 938 A 71 ALA HB% A 71 ALA H 1.0 1.8 5.0 1044 939 A 39 GLU HA A 39 GLU H 1.0 1.8 2.8 1045 940 A 52 THR HA A 52 THR H 1.0 1.8 4.0 1046 941 A 33 LEU HDy% A 33 LEU H 1.0 1.8 5.0 1047 942 A 40 GLY HAy A 41 LEU H 1.0 1.8 5.0 1048 943 A 51 GLU H A 52 THR H 1.0 1.8 5.0 1049 944 A 53 LEU HBy A 53 LEU H 1.0 1.8 5.0 1050 945 A 12 ARG HA A 13 LEU H 1.0 1.8 2.8 1051 946 A 51 GLU HGx A 50 GLY H 1.0 1.8 5.0 1052 947 A 42 ALA HB% A 43 TRP H 1.0 1.8 5.0 1053 948 A 13 LEU HA A 13 LEU H 1.0 1.8 4.0 1054 949 A 17 SER H A 16 GLY H 1.0 1.8 4.0 1055 950 A 27 SER HBx A 53 LEU H 1.0 1.8 6.0 1056 951 A 37 ALA HB% A 37 ALA H 1.0 1.8 5.0 1057 952 A 50 GLY H A 51 GLU H 1.0 1.8 4.0 1058 953 A 62 GLN HBx A 62 GLN HE22 1.0 1.8 5.0 1059 954 A 46 GLY HAy A 46 GLY H 1.0 1.8 4.0 1060 955 A 31 ARG H A 31 ARG HGx 1.0 1.8 5.0 1061 956 A 38 ASP HA A 39 GLU H 1.0 1.8 2.8 1062 957 A 21 PHE HB3 A 21 PHE H 1.0 1.8 2.8 1063 958 A 62 GLN HGx A 57 TRP H 1.0 1.8 4.0 1064 959 A 41 LEU HB3 A 43 TRP HE1 1.0 1.8 5.0 1065 960 A 6 ARG HBy A 45 SER H 1.0 1.8 4.0 1066 960 A 45 SER H A 6 ARG HBx 1.0 1.8 4.0 1067 961 A 33 LEU HA A 45 SER H 1.0 1.8 4.0 1068 962 A 32 GLU HBx A 33 LEU H 1.0 1.8 5.0 1069 962 A 33 LEU H A 32 GLU HBy 1.0 1.8 5.0 1070 962 A 32 GLU HGy A 33 LEU H 1.0 1.8 5.0 1071 963 A 51 GLU HGx A 52 THR H 1.0 1.8 4.0 1072 963 A 52 THR H A 51 GLU HGy 1.0 1.8 4.0 1073 964 A 41 LEU HB3 A 42 ALA H 1.0 1.8 4.0 1074 965 A 22 GLY H A 24 SER H 1.0 1.8 5.0 1075 966 A 13 LEU HA A 14 ALA H 1.0 1.8 4.0 1076 967 A 35 MET HGx A 35 MET H 1.0 1.8 5.0 1077 967 A 35 MET H A 35 MET HGy 1.0 1.8 5.0 1078 968 A 15 ASP H A 17 SER H 1.0 1.8 5.0 1079 969 A 43 TRP HD1 A 43 TRP HE1 1.0 1.8 4.0 1080 970 A 35 MET HGx A 34 GLY H 1.0 1.8 5.0 1081 970 A 34 GLY H A 35 MET HGy 1.0 1.8 5.0 1082 971 A 51 GLU HA A 52 THR H 1.0 1.8 2.8 1083 972 A 65 VAL HA A 64 GLN H 1.0 1.8 4.0 1084 973 A 24 SER HBy A 24 SER H 1.0 1.8 4.0 1085 974 A 56 ASN HBy A 24 SER H 1.0 1.8 5.0 1086 975 A 45 SER HBy A 45 SER H 1.0 1.8 5.0 1087 976 A 17 SER HA A 17 SER H 1.0 1.8 4.0 1088 977 A 21 PHE HA A 22 GLY H 1.0 1.8 4.0 1089 978 A 33 LEU HA A 34 GLY H 1.0 1.8 5.0 1090 979 A 62 GLN HGy A 57 TRP H 1.0 1.8 4.0 1091 980 A 50 GLY HAx A 51 GLU H 1.0 1.8 5.0 1092 981 A 22 GLY H A 63 CYS H 1.0 1.8 5.0 1093 981 A 63 CYS H A 64 GLN H 1.0 1.8 5.0 1094 982 A 71 ALA H A 70 THR H 1.0 1.8 5.0 1095 983 A 13 LEU HBy A 17 SER H 1.0 1.8 5.0 1096 984 A 55 VAL H A 63 CYS H 1.0 1.8 4.0 1097 985 A 51 GLU HBx A 52 THR H 1.0 1.8 4.0 1098 986 A 76 GLN H A 75 GLN HA 1.0 1.8 2.8 1099 987 A 61 ILE HB A 61 ILE H 1.0 1.8 2.8 1100 988 A 56 ASN HD21 A 56 ASN H 1.0 1.8 5.0 1101 989 A 57 TRP HE1 A 62 GLN HE22 1.0 1.8 5.0 1102 990 A 43 TRP HD1 A 43 TRP H 1.0 1.8 5.0 1103 991 A 78 LEU HA A 78 LEU H 1.0 1.8 4.0 1104 992 A 44 LEU HDy% A 44 LEU H 1.0 1.8 6.0 1105 993 A 22 GLY HAy A 22 GLY H 1.0 1.8 4.0 1106 994 A 41 LEU HA A 42 ALA H 1.0 1.8 4.0 1107 995 A 44 LEU HA A 45 SER H 1.0 1.8 4.0 1108 996 A 57 TRP HBx A 58 ASP H 1.0 1.8 5.0 1109 997 A 76 GLN HE22 A 76 GLN HE21 1.0 1.8 2.5 1110 998 A 31 ARG H A 30 GLY H 1.0 1.8 4.0 1111 999 A 69 GLU HA A 69 GLU H 1.0 1.8 5.0 1112 1000 A 60 LYS HBx A 60 LYS H 1.0 1.8 4.0 1113 1001 A 62 GLN HA A 62 GLN H 1.0 1.8 5.0 1114 1002 A 10 ILE HG2% A 10 ILE H 1.0 1.8 5.0 1115 1003 A 81 CYS HBy A 13 LEU H 1.0 1.8 5.0 1116 1004 A 67 VAL HB A 50 GLY H 1.0 1.8 5.0 1117 1005 A 34 GLY H A 35 MET H 1.0 1.8 5.0 1118 1006 A 58 ASP H A 59 GLY H 1.0 1.8 5.0 1119 1007 A 44 LEU HBx A 45 SER H 1.0 1.8 5.0 1120 1008 A 58 ASP HA A 59 GLY H 1.0 1.8 4.0 1121 1009 A 52 THR HG2% A 53 LEU H 1.0 1.8 5.0 1122 1010 A 4 GLY HAy A 4 GLY H 1.0 1.8 5.0 1123 1011 A 84 GLN HBy A 84 GLN H 1.0 1.8 4.0 1124 1012 A 40 GLY H A 41 LEU H 1.0 1.8 4.0 1125 1013 A 64 GLN HGy A 64 GLN H 1.0 1.8 5.0 1126 1014 A 56 ASN HA A 57 TRP H 1.0 1.8 4.0 1127 1015 A 44 LEU HDy% A 34 GLY H 1.0 1.8 6.0 1128 1016 A 7 LEU HG A 6 ARG H 1.0 1.8 5.0 1129 1017 A 14 ALA HA A 14 ALA H 1.0 1.8 4.0 1130 1018 A 64 GLN H A 82 THR H 1.0 1.8 4.0 1131 1019 A 72 ILE H A 72 ILE HA 1.0 1.8 2.8 1132 1020 A 76 GLN H A 76 GLN HA 1.0 1.8 5.0 1133 1021 A 62 GLN HA A 63 CYS H 1.0 1.8 5.0 1134 1022 A 62 GLN HGx A 63 CYS H 1.0 1.8 5.0 1135 1023 A 75 GLN HE22 A 75 GLN HGx 1.0 1.8 4.0 1136 1023 A 75 GLN HE22 A 75 GLN HGy 1.0 1.8 4.0 1137 1024 A 62 GLN HBy A 62 GLN H 1.0 1.8 5.0 1138 1025 A 75 GLN H A 75 GLN HBy 1.0 1.8 4.0 1139 1025 A 75 GLN H A 75 GLN HBx 1.0 1.8 4.0 1140 1026 A 55 VAL HB A 55 VAL H 1.0 1.8 4.0 1141 1027 A 33 LEU HB3 A 34 GLY H 1.0 1.8 5.0 1142 1028 A 7 LEU HA A 46 GLY H 1.0 1.8 4.0 1143 1029 A 58 ASP HBy A 62 GLN HE21 1.0 1.8 5.0 1144 1030 A 56 ASN HBy A 56 ASN HD22 1.0 1.8 5.0 1145 1031 A 56 ASN HD22 A 56 ASN H 1.0 1.8 5.0 1146 1032 A 62 GLN HGx A 62 GLN HE22 1.0 1.8 5.0 1147 1033 A 57 TRP HZ2 A 57 TRP HE1 1.0 1.8 4.0 1148 1034 A 63 CYS HA A 63 CYS H 1.0 1.8 4.0 1149 1035 A 23 ALA HB% A 36 VAL H 1.0 1.8 6.0 1150 1036 A 63 CYS HBy A 63 CYS H 1.0 1.8 5.0 1151 1037 A 40 GLY HAx A 11 LEU H 1.0 1.8 5.0 1152 1038 A 53 LEU HA A 65 VAL H 1.0 1.8 5.0 1153 1039 A 56 ASN HBx A 57 TRP H 1.0 1.8 5.0 1154 1040 A 25 VAL H A 34 GLY H 1.0 1.8 4.0 1155 1041 A 2 LEU H A 2 LEU HB3 1.0 1.8 5.0 1156 1042 A 10 ILE HA A 10 ILE H 1.0 1.8 5.0 1157 1043 A 35 MET HA A 36 VAL H 1.0 1.8 4.0 1158 1044 A 62 GLN HE22 A 62 GLN HE21 1.0 1.8 2.8 1159 1045 A 18 GLN HA A 18 GLN H 1.0 1.8 4.0 1160 1046 A 13 LEU HBy A 13 LEU H 1.0 1.8 4.0 1161 1047 A 5 LYS H A 5 LYS HB2 1.0 1.8 5.0 1162 1047 A 5 LYS H A 5 LYS HB3 1.0 1.8 5.0 1163 1048 A 44 LEU HDy% A 25 VAL H 1.0 1.8 6.0 1164 1049 A 67 VAL HB A 51 GLU H 1.0 1.8 4.0 1165 1050 A 60 LYS H A 61 ILE H 1.0 1.8 5.0 1166 1051 A 69 GLU H A 69 GLU HBy 1.0 1.8 4.0 1167 1051 A 69 GLU HBx A 69 GLU H 1.0 1.8 4.0 1168 1052 A 57 TRP HBy A 58 ASP H 1.0 1.8 4.0 1169 1053 A 26 THR HG2% A 24 SER H 1.0 1.8 6.0 1170 1054 A 39 GLU HGx A 39 GLU H 1.0 1.8 4.0 1171 1054 A 39 GLU H A 39 GLU HGy 1.0 1.8 4.0 1172 1055 A 18 GLN H A 18 GLN HGy 1.0 1.8 4.0 1173 1055 A 18 GLN HGx A 18 GLN H 1.0 1.8 4.0 1174 1056 A 4 GLY HAx A 4 GLY H 1.0 1.8 5.0 1175 1057 A 39 GLU H A 38 ASP HBy 1.0 1.8 4.0 1176 1057 A 38 ASP HBx A 39 GLU H 1.0 1.8 4.0 1177 1058 A 32 GLU HBx A 30 GLY H 1.0 1.8 5.0 1178 1058 A 32 GLU HGy A 30 GLY H 1.0 1.8 5.0 1179 1058 A 30 GLY H A 32 GLU HBy 1.0 1.8 5.0 1180 1059 A 47 VAL HB A 47 VAL H 1.0 1.8 4.0 1181 1060 A 4 GLY HAy A 5 LYS H 1.0 1.8 5.0 1182 1061 A 62 GLN HBx A 62 GLN H 1.0 1.8 5.0 1183 1062 A 57 TRP HA A 58 ASP H 1.0 1.8 4.0 1184 1063 A 25 VAL HGx% A 25 VAL H 1.0 1.8 5.0 1185 1064 A 11 LEU H A 12 ARG H 1.0 1.8 5.0 1186 1065 A 65 VAL HG2% A 53 LEU H 1.0 1.8 5.0 1187 1066 A 6 ARG HA A 7 LEU H 1.0 1.8 4.0 1188 1067 A 48 THR HB A 48 THR H 1.0 1.8 2.8 1189 1068 A 56 ASN HBy A 56 ASN H 1.0 1.8 5.0 1190 1069 A 62 GLN HBx A 57 TRP H 1.0 1.8 6.0 1191 1070 A 76 GLN H A 76 GLN HBx 1.0 1.8 4.0 1192 1070 A 76 GLN H A 76 GLN HBy 1.0 1.8 4.0 1193 1071 A 31 ARG HA A 31 ARG H 1.0 1.8 4.0 1194 1072 A 34 GLY HAx A 35 MET H 1.0 1.8 4.0 1195 1073 A 60 LYS HA A 61 ILE H 1.0 1.8 2.8 1196 1074 A 57 TRP HA A 60 LYS H 1.0 1.8 6.0 1197 1075 A 70 THR H A 69 GLU H 1.0 1.8 5.0 1198 1076 A 7 LEU HG A 5 LYS H 1.0 1.8 5.0 1199 1077 A 57 TRP HD1 A 62 GLN HE21 1.0 1.8 5.0 1200 1078 A 28 GLU HGx A 28 GLU H 1.0 1.8 4.0 1201 1078 A 28 GLU HBx A 28 GLU H 1.0 1.8 4.0 1202 1078 A 32 GLU HGx A 28 GLU H 1.0 1.8 4.0 1203 1079 A 62 GLN HGy A 62 GLN HE22 1.0 1.8 5.0 1204 1080 A 38 ASP H A 39 GLU H 1.0 1.8 5.0 1205 1081 A 14 ALA HB% A 14 ALA H 1.0 1.8 4.0 1206 1082 A 33 LEU HDy% A 34 GLY H 1.0 1.8 5.0 1207 1083 A 26 THR HG2% A 56 ASN H 1.0 1.8 5.0 1208 1084 A 7 LEU HB3 A 7 LEU H 1.0 1.8 4.0 1209 1084 A 7 LEU H A 7 LEU HB2 1.0 1.8 4.0 1210 1085 A 52 THR HG2% A 52 THR H 1.0 1.8 6.0 1211 1086 A 37 ALA HA A 37 ALA H 1.0 1.8 4.0 1212 1087 A 23 ALA HB% A 23 ALA H 1.0 1.8 4.0 1213 1088 A 56 ASN HBx A 24 SER H 1.0 1.8 5.0 1214 1089 A 14 ALA HA A 15 ASP H 1.0 1.8 5.0 1215 1090 A 44 LEU HBy A 44 LEU H 1.0 1.8 4.0 1216 1091 A 57 TRP HZ2 A 59 GLY H 1.0 1.8 4.0 1217 1092 A 22 GLY HAx A 36 VAL H 1.0 1.8 5.0 1218 1093 A 82 THR HB A 82 THR H 1.0 1.8 5.0 1219 1094 A 26 THR HA A 33 LEU H 1.0 1.8 4.0 1220 1095 A 65 VAL HA A 82 THR H 1.0 1.8 5.0 1221 1096 A 30 GLY HAy A 27 SER H 1.0 1.8 6.0 1222 1097 A 61 ILE HG2% A 62 GLN H 1.0 1.8 6.0 1223 1098 A 17 SER H A 13 LEU H 1.0 1.8 5.0 1224 1099 A 6 ARG HA A 6 ARG H 1.0 1.8 5.0 1225 1100 A 10 ILE HG1x A 10 ILE H 1.0 1.8 4.0 1226 1101 A 39 GLU HBy A 39 GLU H 1.0 1.8 4.0 1227 1102 A 9 ALA HA A 10 ILE H 1.0 1.8 4.0 1228 1103 A 43 TRP HBy A 43 TRP H 1.0 1.8 4.0 1229 1104 A 60 LYS HGx A 60 LYS H 1.0 1.8 4.0 1230 1105 A 33 LEU HA A 33 LEU H 1.0 1.8 5.0 1231 1106 A 33 LEU HD11 A 33 LEU H 1.0 1.8 5.0 1232 1107 A 61 ILE HG1y A 55 VAL H 1.0 1.8 5.0 1233 1107 A 55 VAL H A 61 ILE HG1x 1.0 1.8 5.0 1234 1108 A 18 GLN HBy A 18 GLN H 1.0 1.8 4.0 1235 1109 A 31 ARG HA A 30 GLY H 1.0 1.8 4.0 1236 1110 A 59 GLY HAx A 59 GLY H 1.0 1.8 4.0 1237 1111 A 64 GLN HA A 64 GLN H 1.0 1.8 5.0 1238 1112 A 61 ILE H A 61 ILE HG1x 1.0 1.8 4.0 1239 1112 A 61 ILE H A 61 ILE HG1y 1.0 1.8 4.0 1240 1113 A 8 PHE HBy A 8 PHE H 1.0 1.8 4.0 1241 1114 A 41 LEU H A 42 ALA H 1.0 1.8 5.0 1242 1115 A 25 VAL HGy% A 34 GLY H 1.0 1.8 5.0 1243 1116 A 60 LYS H A 59 GLY H 1.0 1.8 4.0 1244 1117 A 17 SER HBy A 16 GLY H 1.0 1.8 5.0 1245 1118 A 74 ASP HA A 74 ASP H 1.0 1.8 4.0 1246 1119 A 58 ASP HBy A 62 GLN HE22 1.0 1.8 5.0 1247 1120 A 21 PHE H A 22 GLY H 1.0 1.8 6.0 1248 1121 A 54 SER HA A 54 SER H 1.0 1.8 4.0 1249 1122 A 30 GLY HAx A 27 SER H 1.0 1.8 5.0 1250 1123 A 54 SER HBx A 54 SER H 1.0 1.8 4.0 1251 1123 A 54 SER H A 54 SER HBy 1.0 1.8 4.0 1252 1124 A 22 GLY HAx A 23 ALA H 1.0 1.8 4.0 1253 1125 A 55 VAL HB A 63 CYS H 1.0 1.8 5.0 1254 1126 A 62 GLN HBx A 62 GLN HE21 1.0 1.8 5.0 1255 1127 A 6 ARG H A 5 LYS HA 1.0 1.8 4.0 1256 1128 A 25 VAL H A 36 VAL H 1.0 1.8 5.0 1257 1129 A 17 SER HBy A 17 SER H 1.0 1.8 4.0 1258 1130 A 51 GLU HGx A 52 THR H 1.0 1.8 4.0 1259 1131 A 47 VAL HGy% A 47 VAL H 1.0 1.8 5.0 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 hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 7 LEU H A 44 LEU O 1.0 1.8 2.0 2 2 A 44 LEU O A 7 LEU N 1.0 2.8 3.0 3 3 A 8 PHE H A 75 GLN O 1.0 1.8 2.0 4 4 A 75 GLN O A 8 PHE N 1.0 2.8 3.0 5 5 A 9 ALA H A 42 ALA O 1.0 1.8 2.0 6 6 A 42 ALA O A 9 ALA N 1.0 2.8 3.0 7 7 A 10 ILE H A 77 LEU O 1.0 1.8 2.0 8 8 A 77 LEU O A 10 ILE N 1.0 2.8 3.0 9 9 A 11 LEU H A 40 GLY O 1.0 1.8 2.0 10 10 A 40 GLY O A 11 LEU N 1.0 2.8 3.0 11 11 A 12 ARG H A 79 LEU O 1.0 1.8 2.0 12 12 A 79 LEU O A 12 ARG N 1.0 2.8 3.0 13 13 A 13 LEU H A 17 SER O 1.0 1.8 2.0 14 14 A 17 SER O A 13 LEU N 1.0 2.8 3.0 15 15 A 16 GLY H A 13 LEU O 1.0 1.8 2.0 16 16 A 13 LEU O A 16 GLY N 1.0 2.8 3.0 17 17 A 22 GLY H A 36 VAL O 1.0 1.8 2.0 18 18 A 36 VAL O A 22 GLY N 1.0 2.8 3.0 19 19 A 23 ALA H A 20 PRO O 1.0 1.8 2.0 20 20 A 20 PRO O A 23 ALA N 1.0 2.8 3.0 21 21 A 24 SER H A 56 ASN O 1.0 1.8 2.0 22 22 A 56 ASN O A 24 SER N 1.0 2.8 3.0 23 23 A 25 VAL H A 34 GLY O 1.0 1.8 2.0 24 24 A 34 GLY O A 25 VAL N 1.0 2.8 3.0 25 25 A 26 THR H A 54 SER O 1.0 1.8 2.0 26 26 A 54 SER O A 26 THR N 1.0 2.8 3.0 27 27 A 27 SER H A 31 ARG O 1.0 1.8 2.0 28 28 A 31 ARG O A 27 SER N 1.0 2.8 3.0 29 29 A 30 GLY H A 27 SER O 1.0 1.8 2.0 30 30 A 27 SER O A 30 GLY N 1.0 2.8 3.0 31 31 A 33 LEU H A 25 VAL O 1.0 1.8 2.0 32 32 A 25 VAL O A 33 LEU N 1.0 2.8 3.0 33 33 A 25 VAL O A 34 GLY H 1.0 1.8 2.0 34 34 A 25 VAL O A 34 GLY N 1.0 2.8 3.0 35 35 A 36 VAL H A 23 ALA O 1.0 1.8 2.0 36 36 A 23 ALA O A 36 VAL N 1.0 2.8 3.0 37 37 A 37 ALA H A 41 LEU O 1.0 1.8 2.0 38 38 A 41 LEU O A 37 ALA N 1.0 2.8 3.0 39 39 A 42 ALA H A 9 ALA O 1.0 1.8 2.0 40 40 A 9 ALA O A 42 ALA N 1.0 2.8 3.0 41 41 A 44 LEU H A 7 LEU O 1.0 1.8 2.0 42 42 A 7 LEU O A 44 LEU N 1.0 2.8 3.0 43 43 A 45 SER H A 33 LEU O 1.0 1.8 2.0 44 44 A 33 LEU O A 45 SER N 1.0 2.8 3.0 45 45 A 50 GLY H A 67 VAL O 1.0 1.8 2.0 46 46 A 67 VAL O A 50 GLY N 1.0 2.8 3.0 47 47 A 67 VAL O A 51 GLU H 1.0 1.8 2.0 48 48 A 67 VAL O A 51 GLU N 1.0 2.8 3.0 49 49 A 53 LEU H A 65 VAL O 1.0 1.8 2.0 50 50 A 65 VAL O A 53 LEU N 1.0 2.8 3.0 51 51 A 54 SER H A 26 THR O 1.0 1.8 2.0 52 52 A 26 THR O A 54 SER N 1.0 2.8 3.0 53 53 A 55 VAL H A 63 CYS O 1.0 1.8 2.0 54 54 A 63 CYS O A 55 VAL N 1.0 2.8 3.0 55 55 A 56 ASN H A 24 SER O 1.0 1.8 2.0 56 56 A 24 SER O A 56 ASN N 1.0 2.8 3.0 57 57 A 57 TRP H A 60 LYS O 1.0 1.8 2.0 58 58 A 60 LYS O A 57 TRP N 1.0 2.8 3.0 59 59 A 62 GLN H A 55 VAL O 1.0 1.8 2.0 60 60 A 55 VAL O A 62 GLN N 1.0 2.8 3.0 61 61 A 64 GLN H A 82 THR O 1.0 1.8 2.0 62 62 A 82 THR O A 64 GLN N 1.0 2.8 3.0 63 63 A 65 VAL H A 53 LEU O 1.0 1.8 2.0 64 64 A 53 LEU O A 65 VAL N 1.0 2.8 3.0 65 65 A 66 ASN H A 80 PRO O 1.0 1.8 2.0 66 66 A 80 PRO O A 66 ASN N 1.0 2.8 3.0 67 67 A 67 VAL H A 51 GLU O 1.0 1.8 2.0 68 68 A 51 GLU O A 67 VAL N 1.0 2.8 3.0 69 69 A 74 ASP H A 6 ARG O 1.0 1.8 2.0 70 70 A 6 ARG O A 74 ASP N 1.0 2.8 3.0 71 71 A 77 LEU H A 8 PHE O 1.0 1.8 2.0 72 72 A 8 PHE O A 77 LEU N 1.0 2.8 3.0 73 73 A 79 LEU H A 10 ILE O 1.0 1.8 2.0 74 74 A 10 ILE O A 79 LEU N 1.0 2.8 3.0 75 75 A 81 CYS H A 12 ARG O 1.0 1.8 2.0 76 76 A 12 ARG O A 81 CYS N 1.0 2.8 3.0 77 77 A 82 THR H A 64 GLN O 1.0 1.8 2.0 78 78 A 64 GLN O A 82 THR N 1.0 2.8 3.0 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 4 GLY C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -150.0 9.52 PHI 2 2 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 ARG N 1.0 90.0 196.40 PSI 3 3 A 5 LYS C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -170.0 -64.38 PHI 4 4 A 13 LEU C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -120.0 -7.82 PHI 5 5 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 ASP N 1.0 -60.0 18.50 PSI 6 6 A 14 ALA C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -120.0 -37.78 PHI 7 7 A 17 SER C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 170.0 -15.56 PHI 8 8 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 PRO N 1.0 40.0 258.10 PSI 9 9 A 18 GLN C A 19 PRO N A 19 PRO CA A 19 PRO C 1.0 -110.0 -28.96 PHI 10 10 A 19 PRO N A 19 PRO CA A 19 PRO C A 20 PRO N 1.0 110.0 192.50 PSI 11 11 A 19 PRO C A 20 PRO N A 20 PRO CA A 20 PRO C 1.0 -110.0 -28.48 PHI 12 12 A 27 SER C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -100.0 -17.78 PHI 13 13 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 LYS N 1.0 -70.0 4.72 PSI 14 14 A 28 GLU C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -130.0 -47.56 PHI 15 15 A 30 GLY C A 31 ARG N A 31 ARG CA A 31 ARG C 1.0 -140.0 -4.38 PHI 16 16 A 31 ARG N A 31 ARG CA A 31 ARG C A 32 GLU N 1.0 90.0 189.42 PSI 17 17 A 40 GLY C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -170.0 -56.40 PHI 18 18 A 46 GLY C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -120.0 -11.16 PHI 19 19 A 48 THR C A 49 PRO N A 49 PRO CA A 49 PRO C 1.0 -90.0 -20.78 PHI 20 20 A 57 TRP C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -120.0 -11.78 PHI 21 21 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 GLY N 1.0 -70.0 27.92 PSI 22 22 A 60 LYS C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -120.0 -16.18 PHI 23 23 A 67 VAL C A 68 PRO N A 68 PRO CA A 68 PRO C 1.0 -100.0 -20.30 PHI 24 24 A 68 PRO N A 68 PRO CA A 68 PRO C A 69 GLU N 1.0 110.0 169.94 PSI 25 25 A 68 PRO C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -100.0 -26.04 PHI 26 26 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 THR N 1.0 -70.0 19.38 PSI 27 27 A 69 GLU C A 70 THR N A 70 THR CA A 70 THR C 1.0 -130.0 -51.02 PHI 28 28 A 70 THR N A 70 THR CA A 70 THR C A 71 ALA N 1.0 -50.0 37.70 PSI 29 29 A 77 LEU C A 78 LEU N A 78 LEU CA A 78 LEU C 1.0 -150.0 -59.48 PHI 30 30 A 79 LEU C A 80 PRO N A 80 PRO CA A 80 PRO C 1.0 -160.0 -14.14 PHI 31 31 A 82 THR C A 83 PRO N A 83 PRO CA A 83 PRO C 1.0 -110.0 -17.62 PHI 32 32 A 83 PRO N A 83 PRO CA A 83 PRO C A 84 GLN N 1.0 100.0 187.66 PSI 33 33 A 84 GLN C A 85 LYS N A 85 LYS CA A 85 LYS C 1.0 -130.0 -15.58 PHI 34 34 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 LEU N 1.0 90.0 178.56 PSI 35 35 A 6 ARG C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -180.0 -91.96 PHI 36 36 A 7 LEU C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -160.0 -68.34 PHI 37 37 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 PHE N 1.0 100.0 179.58 PSI 38 38 A 8 PHE C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -170.0 -62.24 PHI 39 39 A 8 PHE N A 8 PHE CA A 8 PHE C A 9 ALA N 1.0 90.0 160.94 PSI 40 40 A 9 ALA C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -170.0 -60.08 PHI 41 41 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 ILE N 1.0 90.0 166.88 PSI 42 42 A 10 ILE C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -180.0 -62.58 PHI 43 43 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 LEU N 1.0 90.0 166.30 PSI 44 44 A 11 LEU C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -180.0 -66.00 PHI 45 45 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 ARG N 1.0 90.0 177.10 PSI 46 46 A 12 ARG C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -120.0 -14.82 PHI 47 47 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 LEU N 1.0 90.0 178.24 PSI 48 48 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 ALA N 1.0 90.0 193.42 PSI 49 49 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 GLY N 1.0 -50.0 26.06 PSI 50 50 A 15 ASP C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 50.0 114.46 PHI 51 51 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 SER N 1.0 -40.0 56.36 PSI 52 52 A 20 PRO N A 20 PRO CA A 20 PRO C A 21 PHE N 1.0 100.0 208.10 PSI 53 53 A 20 PRO C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -100.0 -14.66 PHI 54 54 A 21 PHE C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 50.0 129.98 PHI 55 55 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 GLY N 1.0 100.0 171.64 PSI 56 56 A 22 GLY C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -170.0 26.02 PHI 57 57 A 22 GLY N A 22 GLY CA A 22 GLY C A 23 ALA N 1.0 -40.0 21.48 PSI 58 58 A 23 ALA C A 24 SER N A 24 SER CA A 24 SER C 1.0 -160.0 -44.46 PHI 59 59 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 SER N 1.0 90.0 189.16 PSI 60 60 A 24 SER C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -150.0 -48.86 PHI 61 61 A 24 SER N A 24 SER CA A 24 SER C A 25 VAL N 1.0 90.0 159.52 PSI 62 62 A 25 VAL C A 26 THR N A 26 THR CA A 26 THR C 1.0 -180.0 -48.50 PHI 63 63 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 THR N 1.0 90.0 155.06 PSI 64 64 A 26 THR C A 27 SER N A 27 SER CA A 27 SER C 1.0 -180.0 -49.28 PHI 65 65 A 27 SER N A 27 SER CA A 27 SER C A 28 GLU N 1.0 80.0 187.46 PSI 66 66 A 26 THR N A 26 THR CA A 26 THR C A 27 SER N 1.0 80.0 192.18 PSI 67 67 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 GLY N 1.0 -40.0 48.40 PSI 68 68 A 29 LYS C A 30 GLY N A 30 GLY CA A 30 GLY C 1.0 40.0 118.50 PHI 69 69 A 30 GLY N A 30 GLY CA A 30 GLY C A 31 ARG N 1.0 -40.0 48.86 PSI 70 70 A 34 GLY C A 35 MET N A 35 MET CA A 35 MET C 1.0 -180.0 -88.44 PHI 71 71 A 35 MET C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -140.0 -22.22 PHI 72 72 A 35 MET N A 35 MET CA A 35 MET C A 36 VAL N 1.0 100.0 200.78 PSI 73 73 A 36 VAL C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -180.0 -31.30 PHI 74 74 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 ALA N 1.0 90.0 162.78 PSI 75 75 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 ASP N 1.0 60.0 195.64 PSI 76 76 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 ALA N 1.0 90.0 168.22 PSI 77 77 A 41 LEU C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -170.0 -80.34 PHI 78 78 A 42 ALA C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -160.0 -38.04 PHI 79 79 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 TRP N 1.0 90.0 186.90 PSI 80 80 A 43 TRP C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -170.0 -75.84 PHI 81 81 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 LEU N 1.0 90.0 167.08 PSI 82 82 A 44 LEU C A 45 SER N A 45 SER CA A 45 SER C 1.0 -180.0 -63.02 PHI 83 83 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 SER N 1.0 100.0 176.48 PSI 84 84 A 45 SER N A 45 SER CA A 45 SER C A 46 GLY N 1.0 90.0 201.46 PSI 85 85 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 THR N 1.0 100.0 174.02 PSI 86 86 A 47 VAL C A 48 THR N A 48 THR CA A 48 THR C 1.0 -170.0 21.44 PHI 87 87 A 48 THR N A 48 THR CA A 48 THR C A 49 PRO N 1.0 90.0 210.86 PSI 88 88 A 49 PRO N A 49 PRO CA A 49 PRO C A 50 GLY N 1.0 110.0 161.76 PSI 89 89 A 49 PRO C A 50 GLY N A 50 GLY CA A 50 GLY C 1.0 50.0 118.76 PHI 90 90 A 50 GLY C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -180.0 -84.98 PHI 91 91 A 50 GLY N A 50 GLY CA A 50 GLY C A 51 GLU N 1.0 -40.0 34.58 PSI 92 92 A 51 GLU C A 52 THR N A 52 THR CA A 52 THR C 1.0 -160.0 -43.70 PHI 93 93 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 THR N 1.0 90.0 208.52 PSI 94 94 A 52 THR C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -180.0 -48.64 PHI 95 95 A 52 THR N A 52 THR CA A 52 THR C A 53 LEU N 1.0 90.0 162.68 PSI 96 96 A 53 LEU C A 54 SER N A 54 SER CA A 54 SER C 1.0 -180.0 -65.26 PHI 97 97 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 SER N 1.0 80.0 189.00 PSI 98 98 A 54 SER C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -160.0 -69.52 PHI 99 99 A 54 SER N A 54 SER CA A 54 SER C A 55 VAL N 1.0 90.0 185.40 PSI 100 100 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 ASN N 1.0 90.0 164.00 PSI 101 101 A 61 ILE N A 61 ILE CA A 61 ILE C A 62 GLN N 1.0 90.0 188.72 PSI 102 102 A 63 CYS C A 64 GLN N A 64 GLN CA A 64 GLN C 1.0 -180.0 -93.52 PHI 103 103 A 64 GLN C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -180.0 -78.78 PHI 104 104 A 64 GLN N A 64 GLN CA A 64 GLN C A 65 VAL N 1.0 100.0 196.24 PSI 105 105 A 65 VAL C A 66 ASN N A 66 ASN CA A 66 ASN C 1.0 -160.0 -58.76 PHI 106 106 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 ASN N 1.0 90.0 185.94 PSI 107 107 A 66 ASN C A 67 VAL N A 67 VAL CA A 67 VAL C 1.0 -160.0 -26.04 PHI 108 108 A 67 VAL N A 67 VAL CA A 67 VAL C A 68 PRO N 1.0 80.0 156.88 PSI 109 109 A 66 ASN N A 66 ASN CA A 66 ASN C A 67 VAL N 1.0 90.0 159.92 PSI 110 110 A 76 GLN C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -180.0 -81.98 PHI 111 111 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 LEU N 1.0 100.0 180.20 PSI 112 112 A 78 LEU N A 78 LEU CA A 78 LEU C A 79 LEU N 1.0 90.0 144.98 PSI 113 113 A 78 LEU C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -170.0 -73.04 PHI 114 114 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 PRO N 1.0 90.0 176.14 PSI 115 115 A 80 PRO N A 80 PRO CA A 80 PRO C A 81 CYS N 1.0 80.0 175.46 PSI 116 116 A 80 PRO C A 81 CYS N A 81 CYS CA A 81 CYS C 1.0 -180.0 -55.16 PHI 117 117 A 81 CYS C A 82 THR N A 82 THR CA A 82 THR C 1.0 -130.0 -16.70 PHI 118 118 A 82 THR N A 82 THR CA A 82 THR C A 83 PRO N 1.0 90.0 200.10 PSI 119 119 A 81 CYS N A 81 CYS CA A 81 CYS C A 82 THR N 1.0 80.0 179.72 PSI stop_ save_ save_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1 _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 2823.753 2 15N 2310.536 stop_ save_ save_peak_list_1_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 2823.753 2 15N 2066.970 3 13C 3469.813 stop_ save_ save_peak_list_1_2_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 1751.826 2 15N 1418.440 3 13C 1785.077 stop_ save_ save_peak_list_1_2_3_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3_4 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 1751.826 2 15N 1418.440 3 13C 1785.077 stop_ save_ save_peak_list_1_2_3_4_5 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3_4_5 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 1751.826 2 15N 1418.440 3 13C 9803.922 stop_ save_ save_peak_list_1_2_3_4_5_6 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3_4_5_6 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 3004.808 2 15N 1418.440 3 1H 5998.800 stop_ save_ save_peak_list_1_2_3_4_5_6_7 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3_4_5_6_7 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 3004.808 2 15N 1418.440 3 1H 5998.800 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3_4_5_6_7_8 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 4901.961 2 1H 4199.916 3 13C 11976.048 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3_4_5_6_7_8_9 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 6101.239 2 1H 6028.000 3 15N 1818.000 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 10000.000 2 13C 4401.408 3 1H 8410.000 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 2101.153 2 15N 2066.970 3 13C 3469.813 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 1751.826 2 15N 1418.440 3 13C 9803.922 stop_ save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13 _nef_nmr_spectrum.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 10000.0 2 1H 8000.0 stop_ save_