################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52712 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name rGKAP_655-711_ChemicalShifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52712 1 3 '2D 1H-13C HSQC aliphatic' . . . 52712 1 5 '3D HNCO' . . . 52712 1 6 '3D HNCACB' . . . 52712 1 7 '3D CBCA(CO)NH' . . . 52712 1 8 '3D HBHA(CO)NH' . . . 52712 1 9 '3D iHNCO' . . . 52712 1 10 '3D H(CC)(CO)NH' . . . 52712 1 11 '3D (H)CC(CO)NH' . . . 52712 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52712 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 MET HA H 1 4.41893383870971 0.00 . 1 . . . . . 0 MET HA . 52712 1 2 . 1 . 1 4 4 MET HB2 H 1 2.02922439956875 0.00 . 2 . . . . . 0 MET HB2 . 52712 1 3 . 1 . 1 4 4 MET HB3 H 1 1.9752624699364 0.00 . 2 . . . . . 0 MET HB3 . 52712 1 4 . 1 . 1 4 4 MET C C 13 175.991639009661 0.00 . 1 . . . . . 0 MET C . 52712 1 5 . 1 . 1 4 4 MET CA C 13 55.5371289198314 0.00 . 1 . . . . . 0 MET CA . 52712 1 6 . 1 . 1 5 5 ARG H H 1 8.47960673603519 0.00246931497531442 . 1 . . . . . 655 ARG H . 52712 1 7 . 1 . 1 5 5 ARG HA H 1 4.33430383243257 0.00 . 1 . . . . . 655 ARG HA . 52712 1 8 . 1 . 1 5 5 ARG HB2 H 1 1.77542857753416 0.00 . 2 . . . . . 655 ARG HB2 . 52712 1 9 . 1 . 1 5 5 ARG HB3 H 1 1.77542857753416 0.00 . 2 . . . . . 655 ARG HB3 . 52712 1 10 . 1 . 1 5 5 ARG C C 13 176.308844486474 0.00412858642051732 . 1 . . . . . 655 ARG C . 52712 1 11 . 1 . 1 5 5 ARG CA C 13 56.0876964621819 0.150238549644277 . 1 . . . . . 655 ARG CA . 52712 1 12 . 1 . 1 5 5 ARG CB C 13 30.9324100236816 0.0382709545727354 . 1 . . . . . 655 ARG CB . 52712 1 13 . 1 . 1 5 5 ARG N N 15 123.099614853895 0.0194397440042188 . 1 . . . . . 655 ARG N . 52712 1 14 . 1 . 1 6 6 LYS H H 1 8.43208364158485 0.00140187028178418 . 1 . . . . . 656 LYS H . 52712 1 15 . 1 . 1 6 6 LYS HA H 1 4.2441778757826 0.00 . 1 . . . . . 656 LYS HA . 52712 1 16 . 1 . 1 6 6 LYS HB2 H 1 1.80594499569689 0.00 . 2 . . . . . 656 LYS HB2 . 52712 1 17 . 1 . 1 6 6 LYS HB3 H 1 1.76446459137206 0.00 . 2 . . . . . 656 LYS HB3 . 52712 1 18 . 1 . 1 6 6 LYS HG2 H 1 1.42846250984156 0.00 . 2 . . . . . 656 LYS HG2 . 52712 1 19 . 1 . 1 6 6 LYS HG3 H 1 1.42846250984156 0.00 . 2 . . . . . 656 LYS HG3 . 52712 1 20 . 1 . 1 6 6 LYS C C 13 176.786158356054 0.0140780949071803 . 1 . . . . . 656 LYS C . 52712 1 21 . 1 . 1 6 6 LYS CA C 13 56.9370898730844 0.0738904470776873 . 1 . . . . . 656 LYS CA . 52712 1 22 . 1 . 1 6 6 LYS CB C 13 33.1242073187876 0.0451273170817986 . 1 . . . . . 656 LYS CB . 52712 1 23 . 1 . 1 6 6 LYS CG C 13 27.7004999835769 0.00 . 1 . . . . . 656 LYS CG . 52712 1 24 . 1 . 1 6 6 LYS N N 15 123.334659723129 0.00186732402228467 . 1 . . . . . 656 LYS N . 52712 1 25 . 1 . 1 7 7 LYS H H 1 8.37986841378832 0.00115149362779286 . 1 . . . . . 657 LYS H . 52712 1 26 . 1 . 1 7 7 LYS HA H 1 4.21672678666492 0.00 . 1 . . . . . 657 LYS HA . 52712 1 27 . 1 . 1 7 7 LYS HB2 H 1 1.69107290110388 0.00 . 2 . . . . . 657 LYS HB2 . 52712 1 28 . 1 . 1 7 7 LYS HB3 H 1 1.69107290110388 0.00 . 2 . . . . . 657 LYS HB3 . 52712 1 29 . 1 . 1 7 7 LYS C C 13 175.99051626259 0.00288663841141896 . 1 . . . . . 657 LYS C . 52712 1 30 . 1 . 1 7 7 LYS CA C 13 56.8575876660476 0.00 . 1 . . . . . 657 LYS CA . 52712 1 31 . 1 . 1 7 7 LYS CB C 13 32.919464278763 0.00 . 1 . . . . . 657 LYS CB . 52712 1 32 . 1 . 1 7 7 LYS N N 15 122.328334587066 0.043815560318432 . 1 . . . . . 657 LYS N . 52712 1 33 . 1 . 1 8 8 ASP H H 1 8.24127191177133 0.000890784362890755 . 1 . . . . . 658 ASP H . 52712 1 34 . 1 . 1 8 8 ASP HA H 1 4.57946038577854 0.00 . 1 . . . . . 658 ASP HA . 52712 1 35 . 1 . 1 8 8 ASP HB2 H 1 2.65209319882398 0.00 . 2 . . . . . 658 ASP HB2 . 52712 1 36 . 1 . 1 8 8 ASP HB3 H 1 2.57896399332514 0.00 . 2 . . . . . 658 ASP HB3 . 52712 1 37 . 1 . 1 8 8 ASP C C 13 175.938759024912 0.0116828834318426 . 1 . . . . . 658 ASP C . 52712 1 38 . 1 . 1 8 8 ASP CA C 13 54.2085873749819 0.0107315268215313 . 1 . . . . . 658 ASP CA . 52712 1 39 . 1 . 1 8 8 ASP CB C 13 41.2919020783456 0.0303199936146029 . 1 . . . . . 658 ASP CB . 52712 1 40 . 1 . 1 8 8 ASP N N 15 121.210738306629 0.00769706056563117 . 1 . . . . . 658 ASP N . 52712 1 41 . 1 . 1 9 9 PHE H H 1 8.13565012277503 0.00113532847695247 . 1 . . . . . 659 PHE H . 52712 1 42 . 1 . 1 9 9 PHE HA H 1 4.54885699055549 0.00 . 1 . . . . . 659 PHE HA . 52712 1 43 . 1 . 1 9 9 PHE HB2 H 1 3.14274543515477 0.00 . 2 . . . . . 659 PHE HB2 . 52712 1 44 . 1 . 1 9 9 PHE HB3 H 1 3.03593813089957 0.00 . 2 . . . . . 659 PHE HB3 . 52712 1 45 . 1 . 1 9 9 PHE C C 13 175.869034020458 0.00804474794557979 . 1 . . . . . 659 PHE C . 52712 1 46 . 1 . 1 9 9 PHE CA C 13 58.2823262364745 0.00262807301917865 . 1 . . . . . 659 PHE CA . 52712 1 47 . 1 . 1 9 9 PHE CB C 13 39.4150592223805 0.033500079593973 . 1 . . . . . 659 PHE CB . 52712 1 48 . 1 . 1 9 9 PHE N N 15 121.195675553377 0.0140608847946956 . 1 . . . . . 659 PHE N . 52712 1 49 . 1 . 1 10 10 LYS H H 1 8.21822936152812 0.000868487307695943 . 1 . . . . . 660 LYS H . 52712 1 50 . 1 . 1 10 10 LYS HA H 1 4.21770236071916 0.00083000647521068 . 1 . . . . . 660 LYS HA . 52712 1 51 . 1 . 1 10 10 LYS HB2 H 1 1.71760737439527 0.0051812557496181 . 2 . . . . . 660 LYS HB2 . 52712 1 52 . 1 . 1 10 10 LYS HB3 H 1 1.71760737439527 0.0051812557496181 . 2 . . . . . 660 LYS HB3 . 52712 1 53 . 1 . 1 10 10 LYS HG2 H 1 1.43242427225494 0.00 . 2 . . . . . 660 LYS HG2 . 52712 1 54 . 1 . 1 10 10 LYS HG3 H 1 1.43242427225494 0.00 . 2 . . . . . 660 LYS HG3 . 52712 1 55 . 1 . 1 10 10 LYS C C 13 176.494995888443 0.00290336180353205 . 1 . . . . . 660 LYS C . 52712 1 56 . 1 . 1 10 10 LYS CA C 13 56.7142764157129 0.0609085590936472 . 1 . . . . . 660 LYS CA . 52712 1 57 . 1 . 1 10 10 LYS CB C 13 32.9270129425282 0.0217552540146469 . 1 . . . . . 660 LYS CB . 52712 1 58 . 1 . 1 10 10 LYS N N 15 122.560837513131 0.022662507538448 . 1 . . . . . 660 LYS N . 52712 1 59 . 1 . 1 11 11 LYS H H 1 8.17656617965626 0.00174168983473177 . 1 . . . . . 661 LYS H . 52712 1 60 . 1 . 1 11 11 LYS HA H 1 4.22529083595776 0.00 . 1 . . . . . 661 LYS HA . 52712 1 61 . 1 . 1 11 11 LYS HB2 H 1 1.77811747544707 0.00 . 2 . . . . . 661 LYS HB2 . 52712 1 62 . 1 . 1 11 11 LYS HB3 H 1 1.77811747544707 0.00 . 2 . . . . . 661 LYS HB3 . 52712 1 63 . 1 . 1 11 11 LYS C C 13 176.397523090518 0.0143314135090619 . 1 . . . . . 661 LYS C . 52712 1 64 . 1 . 1 11 11 LYS CA C 13 56.8107248146849 0.0136134582537997 . 1 . . . . . 661 LYS CA . 52712 1 65 . 1 . 1 11 11 LYS CB C 13 32.9426205649803 0.00 . 1 . . . . . 661 LYS CB . 52712 1 66 . 1 . 1 11 11 LYS N N 15 121.778857080764 0.0119341024471195 . 1 . . . . . 661 LYS N . 52712 1 67 . 1 . 1 12 12 ASN H H 1 8.3879181291829 0.00187500021126954 . 1 . . . . . 662 ASN H . 52712 1 68 . 1 . 1 12 12 ASN HA H 1 4.66795726071415 0.00 . 1 . . . . . 662 ASN HA . 52712 1 69 . 1 . 1 12 12 ASN HB2 H 1 2.85362310227775 0.00 . 2 . . . . . 662 ASN HB2 . 52712 1 70 . 1 . 1 12 12 ASN HB3 H 1 2.78325844541961 0.00 . 2 . . . . . 662 ASN HB3 . 52712 1 71 . 1 . 1 12 12 ASN C C 13 175.295059589568 0.0155502742972259 . 1 . . . . . 662 ASN C . 52712 1 72 . 1 . 1 12 12 ASN CA C 13 53.3252319987939 0.00 . 1 . . . . . 662 ASN CA . 52712 1 73 . 1 . 1 12 12 ASN CB C 13 38.8983841104382 0.0927997930845967 . 1 . . . . . 662 ASN CB . 52712 1 74 . 1 . 1 12 12 ASN N N 15 119.470356214871 0.0148263744313251 . 1 . . . . . 662 ASN N . 52712 1 75 . 1 . 1 13 13 ARG H H 1 8.33416508522555 0.0033447853097441 . 1 . . . . . 663 ARG H . 52712 1 76 . 1 . 1 13 13 ARG HA H 1 4.300697391595 0.00 . 1 . . . . . 663 ARG HA . 52712 1 77 . 1 . 1 13 13 ARG HB2 H 1 1.84462885265076 0.00 . 2 . . . . . 663 ARG HB2 . 52712 1 78 . 1 . 1 13 13 ARG HB3 H 1 1.84462885265076 0.00 . 2 . . . . . 663 ARG HB3 . 52712 1 79 . 1 . 1 13 13 ARG C C 13 176.187458549335 0.00888835616307822 . 1 . . . . . 663 ARG C . 52712 1 80 . 1 . 1 13 13 ARG CA C 13 56.6051320198754 0.00 . 1 . . . . . 663 ARG CA . 52712 1 81 . 1 . 1 13 13 ARG CB C 13 30.6007557434792 0.00 . 1 . . . . . 663 ARG CB . 52712 1 82 . 1 . 1 13 13 ARG N N 15 121.635595377521 0.0217254122365597 . 1 . . . . . 663 ARG N . 52712 1 83 . 1 . 1 14 14 CYS H H 1 8.40149856204419 0.000542254611237958 . 1 . . . . . 664 CYS H . 52712 1 84 . 1 . 1 14 14 CYS HA H 1 4.44774979182477 0.00 . 1 . . . . . 664 CYS HA . 52712 1 85 . 1 . 1 14 14 CYS HB2 H 1 2.92596733062918 0.00 . 2 . . . . . 664 CYS HB2 . 52712 1 86 . 1 . 1 14 14 CYS HB3 H 1 2.92596733062918 0.00 . 2 . . . . . 664 CYS HB3 . 52712 1 87 . 1 . 1 14 14 CYS C C 13 174.67568452643 0.012564031632334 . 1 . . . . . 664 CYS C . 52712 1 88 . 1 . 1 14 14 CYS CA C 13 58.904698622543 0.00 . 1 . . . . . 664 CYS CA . 52712 1 89 . 1 . 1 14 14 CYS CB C 13 27.9813542596827 0.00 . 1 . . . . . 664 CYS CB . 52712 1 90 . 1 . 1 14 14 CYS N N 15 120.23172891573 0.0204483616094166 . 1 . . . . . 664 CYS N . 52712 1 91 . 1 . 1 15 15 LEU H H 1 8.31944911076179 0.00114395760403552 . 1 . . . . . 665 LEU H . 52712 1 92 . 1 . 1 15 15 LEU HA H 1 4.3794140391734 0.00 . 1 . . . . . 665 LEU HA . 52712 1 93 . 1 . 1 15 15 LEU HB2 H 1 1.6249848131307 0.00 . 2 . . . . . 665 LEU HB2 . 52712 1 94 . 1 . 1 15 15 LEU HB3 H 1 1.6249848131307 0.00 . 2 . . . . . 665 LEU HB3 . 52712 1 95 . 1 . 1 15 15 LEU HG H 1 1.63643999766363 0.00 . 1 . . . . . 665 LEU HG . 52712 1 96 . 1 . 1 15 15 LEU C C 13 177.356459270804 0.00190245094911541 . 1 . . . . . 665 LEU C . 52712 1 97 . 1 . 1 15 15 LEU CA C 13 55.5889156411279 0.0680251513545544 . 1 . . . . . 665 LEU CA . 52712 1 98 . 1 . 1 15 15 LEU CB C 13 42.4145294476096 0.0411484703454229 . 1 . . . . . 665 LEU CB . 52712 1 99 . 1 . 1 15 15 LEU N N 15 124.418804397799 0.0136452647668062 . 1 . . . . . 665 LEU N . 52712 1 100 . 1 . 1 16 16 SER H H 1 8.24678706565825 0.000673719133408145 . 1 . . . . . 666 SER H . 52712 1 101 . 1 . 1 16 16 SER HA H 1 4.46750675093181 0.00 . 1 . . . . . 666 SER HA . 52712 1 102 . 1 . 1 16 16 SER HB2 H 1 3.84704627788715 0.00 . 2 . . . . . 666 SER HB2 . 52712 1 103 . 1 . 1 16 16 SER HB3 H 1 3.84704627788715 0.00 . 2 . . . . . 666 SER HB3 . 52712 1 104 . 1 . 1 16 16 SER C C 13 174.343278664312 0.00562192780974803 . 1 . . . . . 666 SER C . 52712 1 105 . 1 . 1 16 16 SER CA C 13 58.431752711166 0.059563136005903 . 1 . . . . . 666 SER CA . 52712 1 106 . 1 . 1 16 16 SER CB C 13 63.7110007240146 0.100389059854734 . 1 . . . . . 666 SER CB . 52712 1 107 . 1 . 1 16 16 SER N N 15 116.564357376161 0.00736638883259319 . 1 . . . . . 666 SER N . 52712 1 108 . 1 . 1 17 17 ILE H H 1 8.04793514085213 0.00119244259235117 . 1 . . . . . 667 ILE H . 52712 1 109 . 1 . 1 17 17 ILE HA H 1 4.20906462933684 0.00 . 1 . . . . . 667 ILE HA . 52712 1 110 . 1 . 1 17 17 ILE HB H 1 1.8853676423647 0.00 . 1 . . . . . 667 ILE HB . 52712 1 111 . 1 . 1 17 17 ILE HG12 H 1 0.884300573573351 0.00 . 2 . . . . . 667 ILE HG12 . 52712 1 112 . 1 . 1 17 17 ILE HG13 H 1 1.46841099516758 0.00 . 2 . . . . . 667 ILE HG13 . 52712 1 113 . 1 . 1 17 17 ILE C C 13 176.601656252825 0.0109870277950228 . 1 . . . . . 667 ILE C . 52712 1 114 . 1 . 1 17 17 ILE CA C 13 61.3764119694762 0.0561152211858508 . 1 . . . . . 667 ILE CA . 52712 1 115 . 1 . 1 17 17 ILE CB C 13 38.7743416908565 0.117530856330604 . 1 . . . . . 667 ILE CB . 52712 1 116 . 1 . 1 17 17 ILE CG1 C 13 27.0958275780713 0.00 . 1 . . . . . 667 ILE CG1 . 52712 1 117 . 1 . 1 17 17 ILE N N 15 121.693323289628 0.00615931795763834 . 1 . . . . . 667 ILE N . 52712 1 118 . 1 . 1 18 18 GLY H H 1 8.40853997791228 0.00127405283325102 . 1 . . . . . 668 GLY H . 52712 1 119 . 1 . 1 18 18 GLY HA2 H 1 3.95437297571754 0.00 . 1 . . . . . 668 GLY HA2 . 52712 1 120 . 1 . 1 18 18 GLY HA3 H 1 3.95437297571754 0.00 . 1 . . . . . 668 GLY HA3 . 52712 1 121 . 1 . 1 18 18 GLY C C 13 173.853997355807 0.00912772723525712 . 1 . . . . . 668 GLY C . 52712 1 122 . 1 . 1 18 18 GLY CA C 13 45.2684446494121 0.0294129651036481 . 1 . . . . . 668 GLY CA . 52712 1 123 . 1 . 1 18 18 GLY N N 15 112.41966096377 0.0175624583985767 . 1 . . . . . 668 GLY N . 52712 1 124 . 1 . 1 19 19 ILE H H 1 7.89960992127404 0.000781465220830063 . 1 . . . . . 669 ILE H . 52712 1 125 . 1 . 1 19 19 ILE HA H 1 4.19647811804736 0.00 . 1 . . . . . 669 ILE HA . 52712 1 126 . 1 . 1 19 19 ILE HB H 1 1.82633953995124 0.00 . 1 . . . . . 669 ILE HB . 52712 1 127 . 1 . 1 19 19 ILE HG12 H 1 0.897393526586607 0.00 . 2 . . . . . 669 ILE HG12 . 52712 1 128 . 1 . 1 19 19 ILE HG13 H 1 1.41122712039658 0.00 . 2 . . . . . 669 ILE HG13 . 52712 1 129 . 1 . 1 19 19 ILE C C 13 175.988630301573 0.00793498959717305 . 1 . . . . . 669 ILE C . 52712 1 130 . 1 . 1 19 19 ILE CA C 13 61.1824046721029 0.0150970441917469 . 1 . . . . . 669 ILE CA . 52712 1 131 . 1 . 1 19 19 ILE CB C 13 38.9609729236859 0.0661031979784797 . 1 . . . . . 669 ILE CB . 52712 1 132 . 1 . 1 19 19 ILE CG2 C 13 17.3929723825205 0.00 . 1 . . . . . 669 ILE CG2 . 52712 1 133 . 1 . 1 19 19 ILE N N 15 119.845616410544 0.00461250791879585 . 1 . . . . . 669 ILE N . 52712 1 134 . 1 . 1 20 20 GLN H H 1 8.49121461450423 0.000869253074808758 . 1 . . . . . 670 GLN H . 52712 1 135 . 1 . 1 20 20 GLN HA H 1 4.39790151940962 0.00 . 1 . . . . . 670 GLN HA . 52712 1 136 . 1 . 1 20 20 GLN HB2 H 1 2.07684861889412 0.00 . 2 . . . . . 670 GLN HB2 . 52712 1 137 . 1 . 1 20 20 GLN HB3 H 1 1.97229314802518 0.00 . 2 . . . . . 670 GLN HB3 . 52712 1 138 . 1 . 1 20 20 GLN C C 13 175.676494665253 0.00119940233436836 . 1 . . . . . 670 GLN C . 52712 1 139 . 1 . 1 20 20 GLN CA C 13 55.6458292711892 0.0574165224892753 . 1 . . . . . 670 GLN CA . 52712 1 140 . 1 . 1 20 20 GLN CB C 13 29.5429898437699 0.0423213943794884 . 1 . . . . . 670 GLN CB . 52712 1 141 . 1 . 1 20 20 GLN CG C 13 33.799519631977 0.00 . 1 . . . . . 670 GLN CG . 52712 1 142 . 1 . 1 20 20 GLN N N 15 124.985763209068 0.0252188749056461 . 1 . . . . . 670 GLN N . 52712 1 143 . 1 . 1 21 21 VAL H H 1 8.25241809336714 0.00360151823493016 . 1 . . . . . 671 VAL H . 52712 1 144 . 1 . 1 21 21 VAL HA H 1 4.13715242696954 0.00 . 1 . . . . . 671 VAL HA . 52712 1 145 . 1 . 1 21 21 VAL HB H 1 2.07622934931852 0.00 . 1 . . . . . 671 VAL HB . 52712 1 146 . 1 . 1 21 21 VAL HG11 H 1 0.929709378527025 0.00 . 2 . . . . . 671 VAL HG . 52712 1 147 . 1 . 1 21 21 VAL HG12 H 1 0.929709378527025 0.00 . 2 . . . . . 671 VAL HG . 52712 1 148 . 1 . 1 21 21 VAL HG13 H 1 0.929709378527025 0.00 . 2 . . . . . 671 VAL HG . 52712 1 149 . 1 . 1 21 21 VAL HG21 H 1 0.929709378527025 0.00 . 2 . . . . . 671 VAL HG . 52712 1 150 . 1 . 1 21 21 VAL HG22 H 1 0.929709378527025 0.00 . 2 . . . . . 671 VAL HG . 52712 1 151 . 1 . 1 21 21 VAL HG23 H 1 0.929709378527025 0.00 . 2 . . . . . 671 VAL HG . 52712 1 152 . 1 . 1 21 21 VAL C C 13 175.693649276629 0.00201793519181214 . 1 . . . . . 671 VAL C . 52712 1 153 . 1 . 1 21 21 VAL CA C 13 62.231543575617 0.092280089846705 . 1 . . . . . 671 VAL CA . 52712 1 154 . 1 . 1 21 21 VAL CB C 13 33.0478190048877 0.0605787448771903 . 1 . . . . . 671 VAL CB . 52712 1 155 . 1 . 1 21 21 VAL CG1 C 13 21.1137464679511 0.00 . 2 . . . . . 671 VAL CG1 . 52712 1 156 . 1 . 1 21 21 VAL N N 15 121.969207849086 0.00757281687431959 . 1 . . . . . 671 VAL N . 52712 1 157 . 1 . 1 22 22 ASP H H 1 8.43566963077148 0.00206030421471694 . 1 . . . . . 672 ASP H . 52712 1 158 . 1 . 1 22 22 ASP HA H 1 4.62755197264979 0.00 . 1 . . . . . 672 ASP HA . 52712 1 159 . 1 . 1 22 22 ASP HB2 H 1 2.71674905272504 0.00 . 2 . . . . . 672 ASP HB2 . 52712 1 160 . 1 . 1 22 22 ASP HB3 H 1 2.58677777086688 0.00 . 2 . . . . . 672 ASP HB3 . 52712 1 161 . 1 . 1 22 22 ASP C C 13 175.947938390606 0.0125472595434936 . 1 . . . . . 672 ASP C . 52712 1 162 . 1 . 1 22 22 ASP CA C 13 54.4400832719251 0.0210873804506056 . 1 . . . . . 672 ASP CA . 52712 1 163 . 1 . 1 22 22 ASP CB C 13 41.4020267519421 0.0343140482234911 . 1 . . . . . 672 ASP CB . 52712 1 164 . 1 . 1 22 22 ASP N N 15 124.033172966503 0.0122744717144724 . 1 . . . . . 672 ASP N . 52712 1 165 . 1 . 1 23 23 ASP H H 1 8.28762608613435 0.000949281042988081 . 1 . . . . . 673 ASP H . 52712 1 166 . 1 . 1 23 23 ASP HA H 1 4.56544180820645 0.00 . 1 . . . . . 673 ASP HA . 52712 1 167 . 1 . 1 23 23 ASP HB2 H 1 2.65866251325856 0.00 . 2 . . . . . 673 ASP HB2 . 52712 1 168 . 1 . 1 23 23 ASP HB3 H 1 2.65866251325856 0.00 . 2 . . . . . 673 ASP HB3 . 52712 1 169 . 1 . 1 23 23 ASP C C 13 176.255891943184 0.00319702868426205 . 1 . . . . . 673 ASP C . 52712 1 170 . 1 . 1 23 23 ASP CA C 13 54.4141490289624 0.0702224424753503 . 1 . . . . . 673 ASP CA . 52712 1 171 . 1 . 1 23 23 ASP CB C 13 41.1583080480027 0.0190353470180683 . 1 . . . . . 673 ASP CB . 52712 1 172 . 1 . 1 23 23 ASP N N 15 121.468971036111 0.00499380644368832 . 1 . . . . . 673 ASP N . 52712 1 173 . 1 . 1 24 24 ALA H H 1 8.24911240940349 0.000905847381264067 . 1 . . . . . 674 ALA H . 52712 1 174 . 1 . 1 24 24 ALA HA H 1 4.2664319127412 0.00 . 1 . . . . . 674 ALA HA . 52712 1 175 . 1 . 1 24 24 ALA HB1 H 1 1.40145435845317 0.00 . 1 . . . . . 674 ALA HB . 52712 1 176 . 1 . 1 24 24 ALA HB2 H 1 1.40145435845317 0.00 . 1 . . . . . 674 ALA HB . 52712 1 177 . 1 . 1 24 24 ALA HB3 H 1 1.40145435845317 0.00 . 1 . . . . . 674 ALA HB . 52712 1 178 . 1 . 1 24 24 ALA C C 13 178.173166670522 0.00206030912914746 . 1 . . . . . 674 ALA C . 52712 1 179 . 1 . 1 24 24 ALA CA C 13 53.0429834500826 0.0714442505195537 . 1 . . . . . 674 ALA CA . 52712 1 180 . 1 . 1 24 24 ALA CB C 13 19.258764859178 0.0775717998682076 . 1 . . . . . 674 ALA CB . 52712 1 181 . 1 . 1 24 24 ALA N N 15 124.268528493433 0.013791520627722 . 1 . . . . . 674 ALA N . 52712 1 182 . 1 . 1 25 25 GLU H H 1 8.33452223959294 0.000857069776331805 . 1 . . . . . 675 GLU H . 52712 1 183 . 1 . 1 25 25 GLU HA H 1 4.22138010006198 0.00 . 1 . . . . . 675 GLU HA . 52712 1 184 . 1 . 1 25 25 GLU HB2 H 1 2.05863522176934 0.00 . 2 . . . . . 675 GLU HB2 . 52712 1 185 . 1 . 1 25 25 GLU HB3 H 1 1.99478896611673 0.00 . 2 . . . . . 675 GLU HB3 . 52712 1 186 . 1 . 1 25 25 GLU HG2 H 1 2.27268717408926 0.00 . 2 . . . . . 675 GLU HG2 . 52712 1 187 . 1 . 1 25 25 GLU HG3 H 1 2.27268717408926 0.00 . 2 . . . . . 675 GLU HG3 . 52712 1 188 . 1 . 1 25 25 GLU C C 13 177.159808906287 0.0033451860957956 . 1 . . . . . 675 GLU C . 52712 1 189 . 1 . 1 25 25 GLU CA C 13 57.1213956970588 0.0359442228401494 . 1 . . . . . 675 GLU CA . 52712 1 190 . 1 . 1 25 25 GLU CB C 13 30.1775398092708 0.0516420723105705 . 1 . . . . . 675 GLU CB . 52712 1 191 . 1 . 1 25 25 GLU CG C 13 36.2828688049241 0.00425954032103581 . 1 . . . . . 675 GLU CG . 52712 1 192 . 1 . 1 25 25 GLU N N 15 119.769203733552 0.0354859845984708 . 1 . . . . . 675 GLU N . 52712 1 193 . 1 . 1 26 26 GLU H H 1 8.40058744606313 0.000383595600347323 . 1 . . . . . 676 GLU H . 52712 1 194 . 1 . 1 26 26 GLU HA H 1 4.24111883304851 0.00 . 1 . . . . . 676 GLU HA . 52712 1 195 . 1 . 1 26 26 GLU HB2 H 1 2.07290787806106 0.00 . 2 . . . . . 676 GLU HB2 . 52712 1 196 . 1 . 1 26 26 GLU HB3 H 1 2.00746779094753 0.00 . 2 . . . . . 676 GLU HB3 . 52712 1 197 . 1 . 1 26 26 GLU HG2 H 1 2.28127658108146 0.00 . 2 . . . . . 676 GLU HG2 . 52712 1 198 . 1 . 1 26 26 GLU HG3 H 1 2.28127658108146 0.00 . 2 . . . . . 676 GLU HG3 . 52712 1 199 . 1 . 1 26 26 GLU C C 13 177.149259805226 0.0188716273823339 . 1 . . . . . 676 GLU C . 52712 1 200 . 1 . 1 26 26 GLU CA C 13 57.1448080530692 0.0273023296634728 . 1 . . . . . 676 GLU CA . 52712 1 201 . 1 . 1 26 26 GLU CB C 13 30.0617399710487 0.0549687653271294 . 1 . . . . . 676 GLU CB . 52712 1 202 . 1 . 1 26 26 GLU CG C 13 36.1253276722431 0.00 . 1 . . . . . 676 GLU CG . 52712 1 203 . 1 . 1 26 26 GLU N N 15 121.641254196691 0.00467147529660519 . 1 . . . . . 676 GLU N . 52712 1 204 . 1 . 1 27 27 SER H H 1 8.29755538617796 0.00171307067749354 . 1 . . . . . 677 SER H . 52712 1 205 . 1 . 1 27 27 SER HA H 1 4.35969208481093 0.00 . 1 . . . . . 677 SER HA . 52712 1 206 . 1 . 1 27 27 SER HB2 H 1 3.90089791428601 0.00 . 2 . . . . . 677 SER HB2 . 52712 1 207 . 1 . 1 27 27 SER HB3 H 1 3.90089791428601 0.00 . 2 . . . . . 677 SER HB3 . 52712 1 208 . 1 . 1 27 27 SER C C 13 175.279855903449 0.00708733538173195 . 1 . . . . . 677 SER C . 52712 1 209 . 1 . 1 27 27 SER CA C 13 59.5388469346214 0.0729797403625423 . 1 . . . . . 677 SER CA . 52712 1 210 . 1 . 1 27 27 SER CB C 13 63.7183891854096 0.0251273331229045 . 1 . . . . . 677 SER CB . 52712 1 211 . 1 . 1 27 27 SER N N 15 116.462448803651 0.0316985543060429 . 1 . . . . . 677 SER N . 52712 1 212 . 1 . 1 28 28 GLU H H 1 8.38630583748084 0.00065214759936504 . 1 . . . . . 678 GLU H . 52712 1 213 . 1 . 1 28 28 GLU HA H 1 4.24154140299571 0.00 . 1 . . . . . 678 GLU HA . 52712 1 214 . 1 . 1 28 28 GLU HB2 H 1 2.04600604920747 0.00 . 2 . . . . . 678 GLU HB2 . 52712 1 215 . 1 . 1 28 28 GLU HB3 H 1 2.04600604920747 0.00 . 2 . . . . . 678 GLU HB3 . 52712 1 216 . 1 . 1 28 28 GLU HG2 H 1 2.28102607874109 0.00 . 2 . . . . . 678 GLU HG2 . 52712 1 217 . 1 . 1 28 28 GLU HG3 H 1 2.28102607874109 0.00 . 2 . . . . . 678 GLU HG3 . 52712 1 218 . 1 . 1 28 28 GLU C C 13 177.009390380446 0.0101799186626913 . 1 . . . . . 678 GLU C . 52712 1 219 . 1 . 1 28 28 GLU CA C 13 57.3057886101102 0.0417625435909287 . 1 . . . . . 678 GLU CA . 52712 1 220 . 1 . 1 28 28 GLU CB C 13 29.9634850354373 0.0366253785067413 . 1 . . . . . 678 GLU CB . 52712 1 221 . 1 . 1 28 28 GLU CG C 13 36.1896972578601 0.00 . 1 . . . . . 678 GLU CG . 52712 1 222 . 1 . 1 28 28 GLU N N 15 122.574239565765 0.0488178104816353 . 1 . . . . . 678 GLU N . 52712 1 223 . 1 . 1 29 29 LYS H H 1 8.13695493711291 0.00114143595058394 . 1 . . . . . 679 LYS H . 52712 1 224 . 1 . 1 29 29 LYS HA H 1 4.25063064041025 0.00 . 1 . . . . . 679 LYS HA . 52712 1 225 . 1 . 1 29 29 LYS HB2 H 1 1.80501273487995 0.00 . 2 . . . . . 679 LYS HB2 . 52712 1 226 . 1 . 1 29 29 LYS HB3 H 1 1.80501273487995 0.00 . 2 . . . . . 679 LYS HB3 . 52712 1 227 . 1 . 1 29 29 LYS HG2 H 1 1.47094172289564 0.00 . 2 . . . . . 679 LYS HG2 . 52712 1 228 . 1 . 1 29 29 LYS HG3 H 1 1.47094172289564 0.00 . 2 . . . . . 679 LYS HG3 . 52712 1 229 . 1 . 1 29 29 LYS C C 13 177.214053106223 0.0120987739456899 . 1 . . . . . 679 LYS C . 52712 1 230 . 1 . 1 29 29 LYS CA C 13 57.0335686163196 0.0244181110053988 . 1 . . . . . 679 LYS CA . 52712 1 231 . 1 . 1 29 29 LYS CB C 13 32.7935976295356 0.0217746193297064 . 1 . . . . . 679 LYS CB . 52712 1 232 . 1 . 1 29 29 LYS CG C 13 24.6463916554035 0.00 . 1 . . . . . 679 LYS CG . 52712 1 233 . 1 . 1 29 29 LYS N N 15 121.358027860676 0.0124002814308895 . 1 . . . . . 679 LYS N . 52712 1 234 . 1 . 1 30 30 MET H H 1 8.24158278811307 0.00126350939365372 . 1 . . . . . 680 MET H . 52712 1 235 . 1 . 1 30 30 MET HA H 1 4.41745967510181 0.00 . 1 . . . . . 680 MET HA . 52712 1 236 . 1 . 1 30 30 MET HB2 H 1 2.08167617845706 0.00 . 2 . . . . . 680 MET HB2 . 52712 1 237 . 1 . 1 30 30 MET HB3 H 1 2.08167617845706 0.00 . 2 . . . . . 680 MET HB3 . 52712 1 238 . 1 . 1 30 30 MET C C 13 176.464497932474 0.000681964495204697 . 1 . . . . . 680 MET C . 52712 1 239 . 1 . 1 30 30 MET CA C 13 55.8843146880817 0.0384609900952542 . 1 . . . . . 680 MET CA . 52712 1 240 . 1 . 1 30 30 MET CB C 13 32.7137823506272 0.0782058844687305 . 1 . . . . . 680 MET CB . 52712 1 241 . 1 . 1 30 30 MET CG C 13 32.0118320094931 0.00 . 1 . . . . . 680 MET CG . 52712 1 242 . 1 . 1 30 30 MET N N 15 120.68636401967 0.0193168219440797 . 1 . . . . . 680 MET N . 52712 1 243 . 1 . 1 31 31 ALA H H 1 8.20350650684789 0.000701551287464895 . 1 . . . . . 681 ALA H . 52712 1 244 . 1 . 1 31 31 ALA HA H 1 4.2664319127412 0.00 . 1 . . . . . 681 ALA HA . 52712 1 245 . 1 . 1 31 31 ALA HB1 H 1 1.40145435845317 0.00 . 1 . . . . . 681 ALA HB . 52712 1 246 . 1 . 1 31 31 ALA HB2 H 1 1.40145435845317 0.00 . 1 . . . . . 681 ALA HB . 52712 1 247 . 1 . 1 31 31 ALA HB3 H 1 1.40145435845317 0.00 . 1 . . . . . 681 ALA HB . 52712 1 248 . 1 . 1 31 31 ALA C C 13 178.114392751041 0.00373026341180864 . 1 . . . . . 681 ALA C . 52712 1 249 . 1 . 1 31 31 ALA CA C 13 53.0295040315618 0.0660364120037363 . 1 . . . . . 681 ALA CA . 52712 1 250 . 1 . 1 31 31 ALA CB C 13 19.2244553047743 0.0591856645770742 . 1 . . . . . 681 ALA CB . 52712 1 251 . 1 . 1 31 31 ALA N N 15 124.773347680077 0.0124267605878044 . 1 . . . . . 681 ALA N . 52712 1 252 . 1 . 1 32 32 GLU H H 1 8.33423169369437 0.000579914354394047 . 1 . . . . . 682 GLU H . 52712 1 253 . 1 . 1 32 32 GLU HA H 1 4.25629362694291 0.00 . 1 . . . . . 682 GLU HA . 52712 1 254 . 1 . 1 32 32 GLU HB2 H 1 2.03756134023262 0.00 . 2 . . . . . 682 GLU HB2 . 52712 1 255 . 1 . 1 32 32 GLU HB3 H 1 2.03756134023262 0.00 . 2 . . . . . 682 GLU HB3 . 52712 1 256 . 1 . 1 32 32 GLU HG2 H 1 2.28127658108146 0.00 . 2 . . . . . 682 GLU HG2 . 52712 1 257 . 1 . 1 32 32 GLU HG3 H 1 2.28127658108146 0.00 . 2 . . . . . 682 GLU HG3 . 52712 1 258 . 1 . 1 32 32 GLU C C 13 176.878912660179 0.00 . 1 . . . . . 682 GLU C . 52712 1 259 . 1 . 1 32 32 GLU CA C 13 57.1133477178731 0.0143099924831412 . 1 . . . . . 682 GLU CA . 52712 1 260 . 1 . 1 32 32 GLU CB C 13 30.2190384826876 0.0239174469821326 . 1 . . . . . 682 GLU CB . 52712 1 261 . 1 . 1 32 32 GLU CG C 13 36.1908580095185 0.00 . 1 . . . . . 682 GLU CG . 52712 1 262 . 1 . 1 32 32 GLU N N 15 119.791668115912 0.00781322034480208 . 1 . . . . . 682 GLU N . 52712 1 263 . 1 . 1 33 33 SER H H 1 8.28147706073608 0.00237705575416748 . 1 . . . . . 683 SER H . 52712 1 264 . 1 . 1 33 33 SER HA H 1 4.4284261632997 0.00 . 1 . . . . . 683 SER HA . 52712 1 265 . 1 . 1 33 33 SER HB2 H 1 3.89750110446497 0.00 . 2 . . . . . 683 SER HB2 . 52712 1 266 . 1 . 1 33 33 SER HB3 H 1 3.89750110446497 0.00 . 2 . . . . . 683 SER HB3 . 52712 1 267 . 1 . 1 33 33 SER C C 13 174.963645339579 0.0166583841886284 . 1 . . . . . 683 SER C . 52712 1 268 . 1 . 1 33 33 SER CA C 13 58.6424812337214 0.0563490754011598 . 1 . . . . . 683 SER CA . 52712 1 269 . 1 . 1 33 33 SER CB C 13 63.7896507992706 0.0296570144113603 . 1 . . . . . 683 SER CB . 52712 1 270 . 1 . 1 33 33 SER N N 15 116.511736910173 0.00106516157206786 . 1 . . . . . 683 SER N . 52712 1 271 . 1 . 1 34 34 LYS H H 1 8.3601146370006 0.00167989027860742 . 1 . . . . . 684 LYS H . 52712 1 272 . 1 . 1 34 34 LYS HA H 1 4.38764602467823 0.00 . 1 . . . . . 684 LYS HA . 52712 1 273 . 1 . 1 34 34 LYS HB2 H 1 1.9046728205618 0.00 . 2 . . . . . 684 LYS HB2 . 52712 1 274 . 1 . 1 34 34 LYS HB3 H 1 1.82400582553656 0.00 . 2 . . . . . 684 LYS HB3 . 52712 1 275 . 1 . 1 34 34 LYS HG2 H 1 1.45644852745844 0.00 . 2 . . . . . 684 LYS HG2 . 52712 1 276 . 1 . 1 34 34 LYS HG3 H 1 1.45644852745844 0.00 . 2 . . . . . 684 LYS HG3 . 52712 1 277 . 1 . 1 34 34 LYS C C 13 177.03228642945 0.00157766558631961 . 1 . . . . . 684 LYS C . 52712 1 278 . 1 . 1 34 34 LYS CA C 13 56.8253132520167 0.0217080963474571 . 1 . . . . . 684 LYS CA . 52712 1 279 . 1 . 1 34 34 LYS CB C 13 32.8743787219995 0.0101495746153714 . 1 . . . . . 684 LYS CB . 52712 1 280 . 1 . 1 34 34 LYS N N 15 123.136579297036 0.00590637244308019 . 1 . . . . . 684 LYS N . 52712 1 281 . 1 . 1 35 35 THR H H 1 8.12073034043002 0.00215393267795624 . 1 . . . . . 685 THR H . 52712 1 282 . 1 . 1 35 35 THR HA H 1 4.36302116254648 0.00 . 1 . . . . . 685 THR HA . 52712 1 283 . 1 . 1 35 35 THR HB H 1 4.26721042881092 0.00 . 1 . . . . . 685 THR HB . 52712 1 284 . 1 . 1 35 35 THR C C 13 174.750196174966 0.0163586945403408 . 1 . . . . . 685 THR C . 52712 1 285 . 1 . 1 35 35 THR CA C 13 62.1305857996833 0.0227795881727806 . 1 . . . . . 685 THR CA . 52712 1 286 . 1 . 1 35 35 THR CB C 13 69.6612986415326 0.00345855207547214 . 1 . . . . . 685 THR CB . 52712 1 287 . 1 . 1 35 35 THR CG2 C 13 21.5366433294614 0.00 . 1 . . . . . 685 THR CG . 52712 1 288 . 1 . 1 35 35 THR N N 15 114.118825473398 0.0269763527758771 . 1 . . . . . 685 THR N . 52712 1 289 . 1 . 1 36 36 SER H H 1 8.27363855520155 0.00175124928083105 . 1 . . . . . 686 SER H . 52712 1 290 . 1 . 1 36 36 SER HA H 1 4.49340110161411 0.00 . 1 . . . . . 686 SER HA . 52712 1 291 . 1 . 1 36 36 SER HB2 H 1 3.91093055462679 0.00 . 2 . . . . . 686 SER HB2 . 52712 1 292 . 1 . 1 36 36 SER HB3 H 1 3.91093055462679 0.00 . 2 . . . . . 686 SER HB3 . 52712 1 293 . 1 . 1 36 36 SER C C 13 174.87188529768 0.00603470850364982 . 1 . . . . . 686 SER C . 52712 1 294 . 1 . 1 36 36 SER CA C 13 58.5588934149424 0.00 . 1 . . . . . 686 SER CA . 52712 1 295 . 1 . 1 36 36 SER CB C 13 63.8199286188761 0.00 . 1 . . . . . 686 SER CB . 52712 1 296 . 1 . 1 36 36 SER N N 15 117.919076619601 0.00490614171960036 . 1 . . . . . 686 SER N . 52712 1 297 . 1 . 1 37 37 SER H H 1 8.40266792360542 0.00195590523460997 . 1 . . . . . 687 SER H . 52712 1 298 . 1 . 1 37 37 SER HA H 1 4.43050763387248 0.00 . 1 . . . . . 687 SER HA . 52712 1 299 . 1 . 1 37 37 SER HB2 H 1 3.86520073671474 0.00 . 2 . . . . . 687 SER HB2 . 52712 1 300 . 1 . 1 37 37 SER HB3 H 1 3.86520073671474 0.00 . 2 . . . . . 687 SER HB3 . 52712 1 301 . 1 . 1 37 37 SER C C 13 174.747546147388 0.00113046897758921 . 1 . . . . . 687 SER C . 52712 1 302 . 1 . 1 37 37 SER CA C 13 58.6933952208276 0.0220559354647312 . 1 . . . . . 687 SER CA . 52712 1 303 . 1 . 1 37 37 SER CB C 13 63.8098714441776 0.00327421546300912 . 1 . . . . . 687 SER CB . 52712 1 304 . 1 . 1 37 37 SER N N 15 118.223520146543 0.0308600307125017 . 1 . . . . . 687 SER N . 52712 1 305 . 1 . 1 38 38 LYS H H 1 8.23480831410373 0.00150858293824996 . 1 . . . . . 688 LYS H . 52712 1 306 . 1 . 1 38 38 LYS HA H 1 4.22797925046284 0.00 . 1 . . . . . 688 LYS HA . 52712 1 307 . 1 . 1 38 38 LYS HB2 H 1 1.68965181585866 0.00 . 2 . . . . . 688 LYS HB2 . 52712 1 308 . 1 . 1 38 38 LYS HB3 H 1 1.63690238134907 0.00 . 2 . . . . . 688 LYS HB3 . 52712 1 309 . 1 . 1 38 38 LYS HG2 H 1 1.24769415071749 0.00 . 2 . . . . . 688 LYS HG2 . 52712 1 310 . 1 . 1 38 38 LYS HG3 H 1 1.24769415071749 0.00 . 2 . . . . . 688 LYS HG3 . 52712 1 311 . 1 . 1 38 38 LYS C C 13 176.378115505559 0.000338085279389704 . 1 . . . . . 688 LYS C . 52712 1 312 . 1 . 1 38 38 LYS CA C 13 56.8580413450777 0.000903702154598264 . 1 . . . . . 688 LYS CA . 52712 1 313 . 1 . 1 38 38 LYS CB C 13 32.764829139772 0.0547561362371143 . 1 . . . . . 688 LYS CB . 52712 1 314 . 1 . 1 38 38 LYS N N 15 122.790149295596 0.0320013782691428 . 1 . . . . . 688 LYS N . 52712 1 315 . 1 . 1 39 39 PHE H H 1 8.10778135455961 0.00041813877999454 . 1 . . . . . 689 PHE H . 52712 1 316 . 1 . 1 39 39 PHE HA H 1 4.60687250121254 0.00 . 1 . . . . . 689 PHE HA . 52712 1 317 . 1 . 1 39 39 PHE HB2 H 1 3.16038337032733 0.00177079772907976 . 2 . . . . . 689 PHE HB2 . 52712 1 318 . 1 . 1 39 39 PHE HB3 H 1 2.99291884648682 0.000135667248721043 . 2 . . . . . 689 PHE HB3 . 52712 1 319 . 1 . 1 39 39 PHE C C 13 175.592929086683 0.00364506400410809 . 1 . . . . . 689 PHE C . 52712 1 320 . 1 . 1 39 39 PHE CA C 13 57.7809002329074 0.0342823985383841 . 1 . . . . . 689 PHE CA . 52712 1 321 . 1 . 1 39 39 PHE CB C 13 39.5054406432249 0.0352986588304736 . 1 . . . . . 689 PHE CB . 52712 1 322 . 1 . 1 39 39 PHE N N 15 120.349364242981 0.00917852657461379 . 1 . . . . . 689 PHE N . 52712 1 323 . 1 . 1 40 40 GLN H H 1 8.15647178576785 0.000494161228714882 . 1 . . . . . 690 GLN H . 52712 1 324 . 1 . 1 40 40 GLN HA H 1 4.33632114863237 0.00 . 1 . . . . . 690 GLN HA . 52712 1 325 . 1 . 1 40 40 GLN HB2 H 1 2.07121120693465 0.00 . 2 . . . . . 690 GLN HB2 . 52712 1 326 . 1 . 1 40 40 GLN HB3 H 1 1.93430097258953 0.00 . 2 . . . . . 690 GLN HB3 . 52712 1 327 . 1 . 1 40 40 GLN HG2 H 1 2.31626961054982 0.00 . 2 . . . . . 690 GLN HG2 . 52712 1 328 . 1 . 1 40 40 GLN HG3 H 1 2.31626961054982 0.00 . 2 . . . . . 690 GLN HG3 . 52712 1 329 . 1 . 1 40 40 GLN C C 13 175.497106860562 0.00781731042993728 . 1 . . . . . 690 GLN C . 52712 1 330 . 1 . 1 40 40 GLN CA C 13 55.74748759576 0.0371874777689909 . 1 . . . . . 690 GLN CA . 52712 1 331 . 1 . 1 40 40 GLN CB C 13 29.6934389116645 0.00836223461401168 . 1 . . . . . 690 GLN CB . 52712 1 332 . 1 . 1 40 40 GLN CG C 13 33.723117493164 0.00 . 1 . . . . . 690 GLN CG . 52712 1 333 . 1 . 1 40 40 GLN N N 15 121.955035118232 0.015809010213751 . 1 . . . . . 690 GLN N . 52712 1 334 . 1 . 1 41 41 SER H H 1 8.31123816271594 0.00114961535179066 . 1 . . . . . 691 SER H . 52712 1 335 . 1 . 1 41 41 SER HA H 1 4.4446222289079 0.00 . 1 . . . . . 691 SER HA . 52712 1 336 . 1 . 1 41 41 SER HB2 H 1 3.85918729749447 0.00 . 2 . . . . . 691 SER HB2 . 52712 1 337 . 1 . 1 41 41 SER HB3 H 1 3.85918729749447 0.00 . 2 . . . . . 691 SER HB3 . 52712 1 338 . 1 . 1 41 41 SER C C 13 174.494388233104 0.000435899065284147 . 1 . . . . . 691 SER C . 52712 1 339 . 1 . 1 41 41 SER CA C 13 58.4579897314197 0.0481853181362642 . 1 . . . . . 691 SER CA . 52712 1 340 . 1 . 1 41 41 SER CB C 13 63.8384106189292 0.010862076415104 . 1 . . . . . 691 SER CB . 52712 1 341 . 1 . 1 41 41 SER N N 15 117.447508927985 0.0135462151129753 . 1 . . . . . 691 SER N . 52712 1 342 . 1 . 1 42 42 VAL H H 1 8.18330683868452 0.00062674966185789 . 1 . . . . . 692 VAL H . 52712 1 343 . 1 . 1 42 42 VAL HA H 1 4.16372866576841 0.00 . 1 . . . . . 692 VAL HA . 52712 1 344 . 1 . 1 42 42 VAL HB H 1 2.10704467233574 0.00 . 1 . . . . . 692 VAL HB . 52712 1 345 . 1 . 1 42 42 VAL HG11 H 1 0.953233867029563 0.00 . 2 . . . . . 692 VAL HG . 52712 1 346 . 1 . 1 42 42 VAL HG12 H 1 0.953233867029563 0.00 . 2 . . . . . 692 VAL HG . 52712 1 347 . 1 . 1 42 42 VAL HG13 H 1 0.953233867029563 0.00 . 2 . . . . . 692 VAL HG . 52712 1 348 . 1 . 1 42 42 VAL HG21 H 1 0.953233867029563 0.00 . 2 . . . . . 692 VAL HG . 52712 1 349 . 1 . 1 42 42 VAL HG22 H 1 0.953233867029563 0.00 . 2 . . . . . 692 VAL HG . 52712 1 350 . 1 . 1 42 42 VAL HG23 H 1 0.953233867029563 0.00 . 2 . . . . . 692 VAL HG . 52712 1 351 . 1 . 1 42 42 VAL C C 13 176.594290125387 0.00752842900377348 . 1 . . . . . 692 VAL C . 52712 1 352 . 1 . 1 42 42 VAL CA C 13 62.5917349108971 0.0344682520154196 . 1 . . . . . 692 VAL CA . 52712 1 353 . 1 . 1 42 42 VAL CB C 13 32.855918580094 0.0222215124283267 . 1 . . . . . 692 VAL CB . 52712 1 354 . 1 . 1 42 42 VAL CG1 C 13 21.1188212385327 0.00 . 2 . . . . . 692 VAL CG1 . 52712 1 355 . 1 . 1 42 42 VAL CG2 C 13 20.2793313166052 0.00 . 2 . . . . . 692 VAL CG2 . 52712 1 356 . 1 . 1 42 42 VAL N N 15 121.444655698045 0.0146563417373178 . 1 . . . . . 692 VAL N . 52712 1 357 . 1 . 1 43 43 GLY H H 1 8.44602063350793 0.00114526576901021 . 1 . . . . . 693 GLY H . 52712 1 358 . 1 . 1 43 43 GLY HA2 H 1 3.96117934419145 0.00 . 1 . . . . . 693 GLY HA2 . 52712 1 359 . 1 . 1 43 43 GLY HA3 H 1 3.96117934419145 0.00 . 1 . . . . . 693 GLY HA3 . 52712 1 360 . 1 . 1 43 43 GLY C C 13 173.971865315726 0.0101818966819735 . 1 . . . . . 693 GLY C . 52712 1 361 . 1 . 1 43 43 GLY CA C 13 45.2335141302808 0.028664755520113 . 1 . . . . . 693 GLY CA . 52712 1 362 . 1 . 1 43 43 GLY N N 15 112.319739431724 0.0630084184376788 . 1 . . . . . 693 GLY N . 52712 1 363 . 1 . 1 44 44 VAL H H 1 7.96764879686134 0.000638344429988796 . 1 . . . . . 694 VAL H . 52712 1 364 . 1 . 1 44 44 VAL HA H 1 4.09803867305319 0.00 . 1 . . . . . 694 VAL HA . 52712 1 365 . 1 . 1 44 44 VAL HB H 1 2.05572633093526 0.00 . 1 . . . . . 694 VAL HB . 52712 1 366 . 1 . 1 44 44 VAL HG11 H 1 0.920423050022587 0.00 . 2 . . . . . 694 VAL HG . 52712 1 367 . 1 . 1 44 44 VAL HG12 H 1 0.920423050022587 0.00 . 2 . . . . . 694 VAL HG . 52712 1 368 . 1 . 1 44 44 VAL HG13 H 1 0.920423050022587 0.00 . 2 . . . . . 694 VAL HG . 52712 1 369 . 1 . 1 44 44 VAL HG21 H 1 0.920423050022587 0.00 . 2 . . . . . 694 VAL HG . 52712 1 370 . 1 . 1 44 44 VAL HG22 H 1 0.920423050022587 0.00 . 2 . . . . . 694 VAL HG . 52712 1 371 . 1 . 1 44 44 VAL HG23 H 1 0.920423050022587 0.00 . 2 . . . . . 694 VAL HG . 52712 1 372 . 1 . 1 44 44 VAL C C 13 176.125635985506 0.0207581530979263 . 1 . . . . . 694 VAL C . 52712 1 373 . 1 . 1 44 44 VAL CA C 13 62.5338106179579 0.0656088634044758 . 1 . . . . . 694 VAL CA . 52712 1 374 . 1 . 1 44 44 VAL CB C 13 32.8686631689389 0.0314767926245313 . 1 . . . . . 694 VAL CB . 52712 1 375 . 1 . 1 44 44 VAL CG1 C 13 21.0738037167043 0.00 . 2 . . . . . 694 VAL CG1 . 52712 1 376 . 1 . 1 44 44 VAL CG2 C 13 20.7008422067314 0.00 . 2 . . . . . 694 VAL CG2 . 52712 1 377 . 1 . 1 44 44 VAL N N 15 119.484524555617 0.00499564629111754 . 1 . . . . . 694 VAL N . 52712 1 378 . 1 . 1 45 45 GLN H H 1 8.50183869420741 0.00105807556494731 . 1 . . . . . 695 GLN H . 52712 1 379 . 1 . 1 45 45 GLN HA H 1 4.39188763252297 0.00 . 1 . . . . . 695 GLN HA . 52712 1 380 . 1 . 1 45 45 GLN HB2 H 1 2.07863762343606 0.00 . 2 . . . . . 695 GLN HB2 . 52712 1 381 . 1 . 1 45 45 GLN HB3 H 1 1.98523667661776 0.00 . 2 . . . . . 695 GLN HB3 . 52712 1 382 . 1 . 1 45 45 GLN HG2 H 1 2.33791001168231 0.00 . 2 . . . . . 695 GLN HG2 . 52712 1 383 . 1 . 1 45 45 GLN HG3 H 1 2.33791001168231 0.00 . 2 . . . . . 695 GLN HG3 . 52712 1 384 . 1 . 1 45 45 GLN C C 13 175.938033648935 0.00491429809547491 . 1 . . . . . 695 GLN C . 52712 1 385 . 1 . 1 45 45 GLN CA C 13 55.6886224912367 0.0759313086500149 . 1 . . . . . 695 GLN CA . 52712 1 386 . 1 . 1 45 45 GLN CB C 13 29.5087612895342 0.077873654515686 . 1 . . . . . 695 GLN CB . 52712 1 387 . 1 . 1 45 45 GLN CG C 13 33.799519631977 0.00 . 1 . . . . . 695 GLN CG . 52712 1 388 . 1 . 1 45 45 GLN N N 15 124.648776980818 0.0798914414762832 . 1 . . . . . 695 GLN N . 52712 1 389 . 1 . 1 46 46 VAL H H 1 8.24374468871648 0.0020010452027336 . 1 . . . . . 696 VAL H . 52712 1 390 . 1 . 1 46 46 VAL HA H 1 4.09803867305319 0.00 . 1 . . . . . 696 VAL HA . 52712 1 391 . 1 . 1 46 46 VAL HB H 1 2.05572633093526 0.00 . 1 . . . . . 696 VAL HB . 52712 1 392 . 1 . 1 46 46 VAL HG11 H 1 0.920423050022587 0.00 . 2 . . . . . 696 VAL HG . 52712 1 393 . 1 . 1 46 46 VAL HG12 H 1 0.920423050022587 0.00 . 2 . . . . . 696 VAL HG . 52712 1 394 . 1 . 1 46 46 VAL HG13 H 1 0.920423050022587 0.00 . 2 . . . . . 696 VAL HG . 52712 1 395 . 1 . 1 46 46 VAL HG21 H 1 0.920423050022587 0.00 . 2 . . . . . 696 VAL HG . 52712 1 396 . 1 . 1 46 46 VAL HG22 H 1 0.920423050022587 0.00 . 2 . . . . . 696 VAL HG . 52712 1 397 . 1 . 1 46 46 VAL HG23 H 1 0.920423050022587 0.00 . 2 . . . . . 696 VAL HG . 52712 1 398 . 1 . 1 46 46 VAL C C 13 176.256233839819 0.00637119369853088 . 1 . . . . . 696 VAL C . 52712 1 399 . 1 . 1 46 46 VAL CA C 13 62.5628967195512 0.0191430856441126 . 1 . . . . . 696 VAL CA . 52712 1 400 . 1 . 1 46 46 VAL CB C 13 32.8746373658671 0.00917992842156702 . 1 . . . . . 696 VAL CB . 52712 1 401 . 1 . 1 46 46 VAL CG1 C 13 21.0738037167043 0.00 . 2 . . . . . 696 VAL CG1 . 52712 1 402 . 1 . 1 46 46 VAL CG2 C 13 20.7008422067314 0.00 . 2 . . . . . 696 VAL CG2 . 52712 1 403 . 1 . 1 46 46 VAL N N 15 122.048161670677 0.0148847129984949 . 1 . . . . . 696 VAL N . 52712 1 404 . 1 . 1 47 47 GLU H H 1 8.50180152773705 0.000849849638630239 . 1 . . . . . 697 GLU H . 52712 1 405 . 1 . 1 47 47 GLU HA H 1 4.25993159097904 0.00 . 1 . . . . . 697 GLU HA . 52712 1 406 . 1 . 1 47 47 GLU HB2 H 1 1.99831874409994 0.00 . 2 . . . . . 697 GLU HB2 . 52712 1 407 . 1 . 1 47 47 GLU HB3 H 1 1.94859268397396 0.00 . 2 . . . . . 697 GLU HB3 . 52712 1 408 . 1 . 1 47 47 GLU HG2 H 1 2.26754273977151 0.00 . 2 . . . . . 697 GLU HG2 . 52712 1 409 . 1 . 1 47 47 GLU HG3 H 1 2.26754273977151 0.00 . 2 . . . . . 697 GLU HG3 . 52712 1 410 . 1 . 1 47 47 GLU C C 13 176.701755972253 0.00379470306040874 . 1 . . . . . 697 GLU C . 52712 1 411 . 1 . 1 47 47 GLU CA C 13 56.9144565051252 0.0930229248482322 . 1 . . . . . 697 GLU CA . 52712 1 412 . 1 . 1 47 47 GLU CB C 13 30.2644357440248 0.0913417550199802 . 1 . . . . . 697 GLU CB . 52712 1 413 . 1 . 1 47 47 GLU CG C 13 36.2790808330033 0.00 . 1 . . . . . 697 GLU CG . 52712 1 414 . 1 . 1 47 47 GLU N N 15 124.528632976077 0.0729764780452727 . 1 . . . . . 697 GLU N . 52712 1 415 . 1 . 1 48 48 GLU H H 1 8.46767941313817 0.000764490279915606 . 1 . . . . . 698 GLU H . 52712 1 416 . 1 . 1 48 48 GLU HA H 1 4.21018257373782 0.00 . 1 . . . . . 698 GLU HA . 52712 1 417 . 1 . 1 48 48 GLU HB2 H 1 1.99875270456506 0.00 . 2 . . . . . 698 GLU HB2 . 52712 1 418 . 1 . 1 48 48 GLU HB3 H 1 1.99875270456506 0.00 . 2 . . . . . 698 GLU HB3 . 52712 1 419 . 1 . 1 48 48 GLU HG2 H 1 2.27675128622956 0.00 . 2 . . . . . 698 GLU HG2 . 52712 1 420 . 1 . 1 48 48 GLU HG3 H 1 2.27675128622956 0.00 . 2 . . . . . 698 GLU HG3 . 52712 1 421 . 1 . 1 48 48 GLU C C 13 176.79694714645 0.00732300196911592 . 1 . . . . . 698 GLU C . 52712 1 422 . 1 . 1 48 48 GLU CA C 13 57.139289119489 0.0303920317982059 . 1 . . . . . 698 GLU CA . 52712 1 423 . 1 . 1 48 48 GLU CB C 13 30.3425965169097 0.0651270285898849 . 1 . . . . . 698 GLU CB . 52712 1 424 . 1 . 1 48 48 GLU CG C 13 36.3409557194384 0.00 . 1 . . . . . 698 GLU CG . 52712 1 425 . 1 . 1 48 48 GLU N N 15 122.354183959417 0.0605585544010907 . 1 . . . . . 698 GLU N . 52712 1 426 . 1 . 1 49 49 GLU H H 1 8.4448769122565 0.000580756913527808 . 1 . . . . . 699 GLU H . 52712 1 427 . 1 . 1 49 49 GLU HA H 1 4.20041054368322 0.00 . 1 . . . . . 699 GLU HA . 52712 1 428 . 1 . 1 49 49 GLU HB2 H 1 2.03346083625057 0.00 . 2 . . . . . 699 GLU HB2 . 52712 1 429 . 1 . 1 49 49 GLU HB3 H 1 2.03346083625057 0.00 . 2 . . . . . 699 GLU HB3 . 52712 1 430 . 1 . 1 49 49 GLU HG2 H 1 2.26944372217459 0.00 . 2 . . . . . 699 GLU HG2 . 52712 1 431 . 1 . 1 49 49 GLU HG3 H 1 2.26944372217459 0.00 . 2 . . . . . 699 GLU HG3 . 52712 1 432 . 1 . 1 49 49 GLU C C 13 176.972151189145 0.00605264234274774 . 1 . . . . . 699 GLU C . 52712 1 433 . 1 . 1 49 49 GLU CA C 13 57.1440377705929 0.0288076301622931 . 1 . . . . . 699 GLU CA . 52712 1 434 . 1 . 1 49 49 GLU CB C 13 30.1170258205841 0.105666082068701 . 1 . . . . . 699 GLU CB . 52712 1 435 . 1 . 1 49 49 GLU CG C 13 36.3176627284507 0.00 . 1 . . . . . 699 GLU CG . 52712 1 436 . 1 . 1 49 49 GLU N N 15 121.980790683897 0.0156388537427098 . 1 . . . . . 699 GLU N . 52712 1 437 . 1 . 1 50 50 LYS H H 1 8.29548432711027 0.000518433867832696 . 1 . . . . . 700 LYS H . 52712 1 438 . 1 . 1 50 50 LYS HA H 1 4.22981146658913 0.00 . 1 . . . . . 700 LYS HA . 52712 1 439 . 1 . 1 50 50 LYS HB2 H 1 1.77528289843988 0.00 . 2 . . . . . 700 LYS HB2 . 52712 1 440 . 1 . 1 50 50 LYS HB3 H 1 1.77528289843988 0.00 . 2 . . . . . 700 LYS HB3 . 52712 1 441 . 1 . 1 50 50 LYS HG2 H 1 1.351117835923 0.00 . 2 . . . . . 700 LYS HG2 . 52712 1 442 . 1 . 1 50 50 LYS HG3 H 1 1.351117835923 0.00 . 2 . . . . . 700 LYS HG3 . 52712 1 443 . 1 . 1 50 50 LYS C C 13 176.760907442161 0.00662087417137516 . 1 . . . . . 700 LYS C . 52712 1 444 . 1 . 1 50 50 LYS CA C 13 57.06049872105 0.0553769550219449 . 1 . . . . . 700 LYS CA . 52712 1 445 . 1 . 1 50 50 LYS CB C 13 32.6639735261413 0.0320421049990839 . 1 . . . . . 700 LYS CB . 52712 1 446 . 1 . 1 50 50 LYS N N 15 121.616132640704 0.0254820312207401 . 1 . . . . . 700 LYS N . 52712 1 447 . 1 . 1 51 51 CYS H H 1 8.16764977772178 0.00157476660877735 . 1 . . . . . 701 CYS H . 52712 1 448 . 1 . 1 51 51 CYS HA H 1 4.38940705659171 0.00 . 1 . . . . . 701 CYS HA . 52712 1 449 . 1 . 1 51 51 CYS HB2 H 1 2.85849649677979 0.00 . 2 . . . . . 701 CYS HB2 . 52712 1 450 . 1 . 1 51 51 CYS HB3 H 1 2.85849649677979 0.00 . 2 . . . . . 701 CYS HB3 . 52712 1 451 . 1 . 1 51 51 CYS C C 13 174.470485357166 0.0168835496207769 . 1 . . . . . 701 CYS C . 52712 1 452 . 1 . 1 51 51 CYS CA C 13 58.8009629862932 0.000981641299543849 . 1 . . . . . 701 CYS CA . 52712 1 453 . 1 . 1 51 51 CYS CB C 13 27.9657310091721 0.00611761538598717 . 1 . . . . . 701 CYS CB . 52712 1 454 . 1 . 1 51 51 CYS N N 15 118.954169713259 0.0182813252788079 . 1 . . . . . 701 CYS N . 52712 1 455 . 1 . 1 52 52 PHE H H 1 8.21915701860127 0.00045778116488312 . 1 . . . . . 702 PHE H . 52712 1 456 . 1 . 1 52 52 PHE HA H 1 4.59634883829489 0.00 . 1 . . . . . 702 PHE HA . 52712 1 457 . 1 . 1 52 52 PHE HB2 H 1 3.16137133315043 0.00 . 2 . . . . . 702 PHE HB2 . 52712 1 458 . 1 . 1 52 52 PHE HB3 H 1 3.05531469450635 0.00 . 2 . . . . . 702 PHE HB3 . 52712 1 459 . 1 . 1 52 52 PHE C C 13 175.663398508703 0.0173167611995245 . 1 . . . . . 702 PHE C . 52712 1 460 . 1 . 1 52 52 PHE CA C 13 58.2205136425309 0.0600922967471842 . 1 . . . . . 702 PHE CA . 52712 1 461 . 1 . 1 52 52 PHE CB C 13 39.3109218527634 0.0432248679228467 . 1 . . . . . 702 PHE CB . 52712 1 462 . 1 . 1 52 52 PHE N N 15 122.370848726654 0.070193178431447 . 1 . . . . . 702 PHE N . 52712 1 463 . 1 . 1 53 53 ARG H H 1 8.10838403680391 0.0010364944317563 . 1 . . . . . 703 ARG H . 52712 1 464 . 1 . 1 53 53 ARG HA H 1 4.21770236071916 0.00083000647521068 . 1 . . . . . 703 ARG HA . 52712 1 465 . 1 . 1 53 53 ARG HB2 H 1 1.71760737439527 0.0051812557496181 . 2 . . . . . 703 ARG HB2 . 52712 1 466 . 1 . 1 53 53 ARG HB3 H 1 1.71760737439527 0.0051812557496181 . 2 . . . . . 703 ARG HB3 . 52712 1 467 . 1 . 1 53 53 ARG C C 13 175.707166296281 0.0026660415397946 . 1 . . . . . 703 ARG C . 52712 1 468 . 1 . 1 53 53 ARG CA C 13 56.3107892639145 0.061309140488962 . 1 . . . . . 703 ARG CA . 52712 1 469 . 1 . 1 53 53 ARG CB C 13 30.879679238531 0.0124692396815658 . 1 . . . . . 703 ARG CB . 52712 1 470 . 1 . 1 53 53 ARG N N 15 122.489559575898 0.0153092323620189 . 1 . . . . . 703 ARG N . 52712 1 471 . 1 . 1 54 54 ARG H H 1 8.17034137630001 0.00150581349660398 . 1 . . . . . 704 ARG H . 52712 1 472 . 1 . 1 54 54 ARG HA H 1 4.214786466419 0.00 . 1 . . . . . 704 ARG HA . 52712 1 473 . 1 . 1 54 54 ARG HB2 H 1 1.70215014878032 0.00 . 2 . . . . . 704 ARG HB2 . 52712 1 474 . 1 . 1 54 54 ARG HB3 H 1 1.67369931863924 0.00 . 2 . . . . . 704 ARG HB3 . 52712 1 475 . 1 . 1 54 54 ARG HG2 H 1 1.67854667113432 0.00 . 2 . . . . . 704 ARG HG2 . 52712 1 476 . 1 . 1 54 54 ARG HG3 H 1 1.67854667113432 0.00 . 2 . . . . . 704 ARG HG3 . 52712 1 477 . 1 . 1 54 54 ARG C C 13 175.953440949472 0.00372539563602293 . 1 . . . . . 704 ARG C . 52712 1 478 . 1 . 1 54 54 ARG CA C 13 56.3337456381711 0.00184283441049512 . 1 . . . . . 704 ARG CA . 52712 1 479 . 1 . 1 54 54 ARG CB C 13 30.8816157535481 0.0152259455087149 . 1 . . . . . 704 ARG CB . 52712 1 480 . 1 . 1 54 54 ARG CG C 13 26.9907003445115 0.00 . 1 . . . . . 704 ARG CG . 52712 1 481 . 1 . 1 54 54 ARG N N 15 121.820598403332 0.0143262413422777 . 1 . . . . . 704 ARG N . 52712 1 482 . 1 . 1 55 55 PHE H H 1 8.27387029309903 0.00273774224659474 . 1 . . . . . 705 PHE H . 52712 1 483 . 1 . 1 55 55 PHE HA H 1 4.72190812442447 0.00 . 1 . . . . . 705 PHE HA . 52712 1 484 . 1 . 1 55 55 PHE HB2 H 1 3.17357020229154 0.00 . 2 . . . . . 705 PHE HB2 . 52712 1 485 . 1 . 1 55 55 PHE HB3 H 1 3.00384960378615 0.00 . 2 . . . . . 705 PHE HB3 . 52712 1 486 . 1 . 1 55 55 PHE C C 13 175.762860775137 0.000572484265961326 . 1 . . . . . 705 PHE C . 52712 1 487 . 1 . 1 55 55 PHE CA C 13 57.704899169738 0.0667957295991626 . 1 . . . . . 705 PHE CA . 52712 1 488 . 1 . 1 55 55 PHE CB C 13 39.7298608644305 0.111356495932661 . 1 . . . . . 705 PHE CB . 52712 1 489 . 1 . 1 55 55 PHE N N 15 121.107790959498 0.0083870753155268 . 1 . . . . . 705 PHE N . 52712 1 490 . 1 . 1 56 56 THR H H 1 8.11498748164978 0.00281194029542965 . 1 . . . . . 706 THR H . 52712 1 491 . 1 . 1 56 56 THR HA H 1 4.30473350358499 0.00 . 1 . . . . . 706 THR HA . 52712 1 492 . 1 . 1 56 56 THR HB H 1 4.13682051525159 0.000652735034191457 . 1 . . . . . 706 THR HB . 52712 1 493 . 1 . 1 56 56 THR C C 13 174.109014602457 0.00814908604071723 . 1 . . . . . 706 THR C . 52712 1 494 . 1 . 1 56 56 THR CA C 13 61.65021333871 0.0325468940753912 . 1 . . . . . 706 THR CA . 52712 1 495 . 1 . 1 56 56 THR CB C 13 69.9231633517509 0.114628116954597 . 1 . . . . . 706 THR CB . 52712 1 496 . 1 . 1 56 56 THR N N 15 116.401306842989 0.0137671803990692 . 1 . . . . . 706 THR N . 52712 1 497 . 1 . 1 57 57 ARG H H 1 8.36648375633562 0.00500473778814123 . 1 . . . . . 707 ARG H . 52712 1 498 . 1 . 1 57 57 ARG HA H 1 4.35328338053936 0.00 . 1 . . . . . 707 ARG HA . 52712 1 499 . 1 . 1 57 57 ARG HB2 H 1 1.84619807371265 0.00 . 2 . . . . . 707 ARG HB2 . 52712 1 500 . 1 . 1 57 57 ARG HB3 H 1 1.78050736242277 0.00 . 2 . . . . . 707 ARG HB3 . 52712 1 501 . 1 . 1 57 57 ARG HG2 H 1 1.65345553898522 0.00 . 2 . . . . . 707 ARG HG2 . 52712 1 502 . 1 . 1 57 57 ARG HG3 H 1 1.65345553898522 0.00 . 2 . . . . . 707 ARG HG3 . 52712 1 503 . 1 . 1 57 57 ARG C C 13 176.278741950313 0.01191611810885 . 1 . . . . . 707 ARG C . 52712 1 504 . 1 . 1 57 57 ARG CA C 13 56.1024969727289 0.00 . 1 . . . . . 707 ARG CA . 52712 1 505 . 1 . 1 57 57 ARG CB C 13 30.8352250832749 0.00 . 1 . . . . . 707 ARG CB . 52712 1 506 . 1 . 1 57 57 ARG N N 15 123.605455846201 0.0224994446443308 . 1 . . . . . 707 ARG N . 52712 1 507 . 1 . 1 58 58 SER H H 1 8.42631527694521 0.0050150775682303 . 1 . . . . . 708 SER H . 52712 1 508 . 1 . 1 58 58 SER HA H 1 4.44012219804836 0.00 . 1 . . . . . 708 SER HA . 52712 1 509 . 1 . 1 58 58 SER HB2 H 1 3.86435380962954 0.00 . 2 . . . . . 708 SER HB2 . 52712 1 510 . 1 . 1 58 58 SER HB3 H 1 3.86435380962954 0.00 . 2 . . . . . 708 SER HB3 . 52712 1 511 . 1 . 1 58 58 SER C C 13 174.282068524179 0.0108155685802307 . 1 . . . . . 708 SER C . 52712 1 512 . 1 . 1 58 58 SER N N 15 117.197784494259 0.00617437432712774 . 1 . . . . . 708 SER N . 52712 1 513 . 1 . 1 59 59 ASN H H 1 8.50119918853422 0.00074388746809757 . 1 . . . . . 709 ASN H . 52712 1 514 . 1 . 1 59 59 ASN HA H 1 4.77713406480581 0.00 . 1 . . . . . 709 ASN HA . 52712 1 515 . 1 . 1 59 59 ASN HB2 H 1 2.85041603618139 0.00 . 2 . . . . . 709 ASN HB2 . 52712 1 516 . 1 . 1 59 59 ASN HB3 H 1 2.80097891923343 0.00 . 2 . . . . . 709 ASN HB3 . 52712 1 517 . 1 . 1 59 59 ASN C C 13 175.060275205189 0.0115097383533798 . 1 . . . . . 709 ASN C . 52712 1 518 . 1 . 1 59 59 ASN CA C 13 53.1680699715222 0.00 . 1 . . . . . 709 ASN CA . 52712 1 519 . 1 . 1 59 59 ASN CB C 13 38.9687370461415 0.00 . 1 . . . . . 709 ASN CB . 52712 1 520 . 1 . 1 59 59 ASN N N 15 120.760182656019 0.00617814394792121 . 1 . . . . . 709 ASN N . 52712 1 521 . 1 . 1 60 60 SER H H 1 8.248290621382 0.00162367600112612 . 1 . . . . . 710 SER H . 52712 1 522 . 1 . 1 60 60 SER HA H 1 4.48744876982947 0.00 . 1 . . . . . 710 SER HA . 52712 1 523 . 1 . 1 60 60 SER HB2 H 1 3.852477046869 0.00 . 2 . . . . . 710 SER HB2 . 52712 1 524 . 1 . 1 60 60 SER HB3 H 1 3.852477046869 0.00 . 2 . . . . . 710 SER HB3 . 52712 1 525 . 1 . 1 60 60 SER C C 13 173.522720619311 0.00479103083276201 . 1 . . . . . 710 SER C . 52712 1 526 . 1 . 1 60 60 SER CA C 13 58.5935009056304 0.020468858893767 . 1 . . . . . 710 SER CA . 52712 1 527 . 1 . 1 60 60 SER CB C 13 63.919822022339 0.0945192810533264 . 1 . . . . . 710 SER CB . 52712 1 528 . 1 . 1 60 60 SER N N 15 116.331134217784 0.0169869270211453 . 1 . . . . . 710 SER N . 52712 1 529 . 1 . 1 61 61 VAL H H 1 7.7337550611951 0.000638299793020735 . 1 . . . . . 711 VAL H . 52712 1 530 . 1 . 1 61 61 VAL CA C 13 63.7290518468239 0.00 . 1 . . . . . 711 VAL CA . 52712 1 531 . 1 . 1 61 61 VAL CB C 13 33.2166260074678 0.00 . 1 . . . . . 711 VAL CB . 52712 1 532 . 1 . 1 61 61 VAL N N 15 125.337052150639 0.0075159938692552 . 1 . . . . . 711 VAL N . 52712 1 stop_ save_