################################### # 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 53200 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name drp18_Final_NMR _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-13C HSQC' . . . 53200 1 2 '2D 1H-15N HSQC' . . . 53200 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 1 $software_1 . . 53200 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 3 3 MET H H 1 8.469486818 0.006266506695 . . . . . . . 1 MET H . 53200 1 2 . 1 . 1 3 3 MET HA H 1 4.447392786 0.004161672999 . . . . . . . 1 MET HA . 53200 1 3 . 1 . 1 3 3 MET HB2 H 1 2.029274243 0.009833918098 . . . . . . . 1 MET HB# . 53200 1 4 . 1 . 1 3 3 MET HB3 H 1 2.029274243 0.009833918098 . . . . . . . 1 MET HB# . 53200 1 5 . 1 . 1 3 3 MET C C 13 176.0130453 . . . . . . . . 1 MET C . 53200 1 6 . 1 . 1 3 3 MET CA C 13 55.3602447 0.001973720872 . . . . . . . 1 MET CA . 53200 1 7 . 1 . 1 3 3 MET CB C 13 32.94206251 0.05828435494 . . . . . . . 1 MET CB . 53200 1 8 . 1 . 1 3 3 MET N N 15 119.76439 0.04050448047 . . . . . . . 1 MET N . 53200 1 9 . 1 . 1 4 4 ALA H H 1 8.355572384 0.003027548172 . . . . . . . 2 ALA H . 53200 1 10 . 1 . 1 4 4 ALA HA H 1 4.287849066 0.002335134974 . . . . . . . 2 ALA HA . 53200 1 11 . 1 . 1 4 4 ALA HB1 H 1 1.390258399 . . . . . . . . 2 ALA HB# . 53200 1 12 . 1 . 1 4 4 ALA HB2 H 1 1.390258399 . . . . . . . . 2 ALA HB# . 53200 1 13 . 1 . 1 4 4 ALA HB3 H 1 1.390258399 . . . . . . . . 2 ALA HB# . 53200 1 14 . 1 . 1 4 4 ALA C C 13 177.5355354 . . . . . . . . 2 ALA C . 53200 1 15 . 1 . 1 4 4 ALA CA C 13 52.60642205 0.0005310377675 . . . . . . . 2 ALA CA . 53200 1 16 . 1 . 1 4 4 ALA CB C 13 19.25893366 0.05023107331 . . . . . . . 2 ALA CB . 53200 1 17 . 1 . 1 4 4 ALA N N 15 125.3977613 0.05010031361 . . . . . . . 2 ALA N . 53200 1 18 . 1 . 1 5 5 GLU H H 1 8.386909864 0.00183858185 . . . . . . . 3 GLU H . 53200 1 19 . 1 . 1 5 5 GLU HA H 1 4.251407165 . . . . . . . . 3 GLU HA . 53200 1 20 . 1 . 1 5 5 GLU C C 13 176.3551249 . . . . . . . . 3 GLU C . 53200 1 21 . 1 . 1 5 5 GLU CA C 13 56.41801265 0.002022614738 . . . . . . . 3 GLU CA . 53200 1 22 . 1 . 1 5 5 GLU CB C 13 30.41566662 0.03941140643 . . . . . . . 3 GLU CB . 53200 1 23 . 1 . 1 5 5 GLU N N 15 119.9119793 0.05069916206 . . . . . . . 3 GLU N . 53200 1 24 . 1 . 1 6 6 ASP H H 1 8.369786498 0.002832758546 . . . . . . . 4 ASP H . 53200 1 25 . 1 . 1 6 6 ASP HA H 1 4.726100323 0.00952039663 . . . . . . . 4 ASP HA . 53200 1 26 . 1 . 1 6 6 ASP HB2 H 1 2.639070841 0.03008431106 . . . . . . . 4 ASP HB# . 53200 1 27 . 1 . 1 6 6 ASP HB3 H 1 2.639070841 0.03008431106 . . . . . . . 4 ASP HB# . 53200 1 28 . 1 . 1 6 6 ASP C C 13 177.1212951 . . . . . . . . 4 ASP C . 53200 1 29 . 1 . 1 6 6 ASP CA C 13 54.6029443 0.005845637565 . . . . . . . 4 ASP CA . 53200 1 30 . 1 . 1 6 6 ASP CB C 13 41.4671521 0.0794316471 . . . . . . . 4 ASP CB . 53200 1 31 . 1 . 1 6 6 ASP N N 15 121.8183265 0.02325475556 . . . . . . . 4 ASP N . 53200 1 32 . 1 . 1 7 7 THR H H 1 8.763360763 0.004218300038 . . . . . . . 5 THR H . 53200 1 33 . 1 . 1 7 7 THR HA H 1 4.518803231 0.02349635732 . . . . . . . 5 THR HA . 53200 1 34 . 1 . 1 7 7 THR C C 13 175.693667 . . . . . . . . 5 THR C . 53200 1 35 . 1 . 1 7 7 THR CA C 13 61.16131771 0.00831863148 . . . . . . . 5 THR CA . 53200 1 36 . 1 . 1 7 7 THR CB C 13 71.13759513 0.05107903421 . . . . . . . 5 THR CB . 53200 1 37 . 1 . 1 7 7 THR N N 15 113.2688836 0.03526712895 . . . . . . . 5 THR N . 53200 1 38 . 1 . 1 8 8 ALA H H 1 8.741547256 0.003832780505 . . . . . . . 6 ALA H . 53200 1 39 . 1 . 1 8 8 ALA HA H 1 4.045528204 0.001330050449 . . . . . . . 6 ALA HA . 53200 1 40 . 1 . 1 8 8 ALA HB1 H 1 1.425313676 0.01460440494 . . . . . . . 6 ALA HB# . 53200 1 41 . 1 . 1 8 8 ALA HB2 H 1 1.425313676 0.01460440494 . . . . . . . 6 ALA HB# . 53200 1 42 . 1 . 1 8 8 ALA HB3 H 1 1.425313676 0.01460440494 . . . . . . . 6 ALA HB# . 53200 1 43 . 1 . 1 8 8 ALA C C 13 179.3989273 . . . . . . . . 6 ALA C . 53200 1 44 . 1 . 1 8 8 ALA CA C 13 55.64872436 0.001250122078 . . . . . . . 6 ALA CA . 53200 1 45 . 1 . 1 8 8 ALA CB C 13 18.40930044 0.001749379813 . . . . . . . 6 ALA CB . 53200 1 46 . 1 . 1 8 8 ALA N N 15 124.4344602 0.04920598272 . . . . . . . 6 ALA N . 53200 1 47 . 1 . 1 9 9 ILE H H 1 8.10203867 0.02691787256 . . . . . . . 7 ILE H . 53200 1 48 . 1 . 1 9 9 ILE HA H 1 3.921395605 0.01423526814 . . . . . . . 7 ILE HA . 53200 1 49 . 1 . 1 9 9 ILE HB H 1 1.846875597 0.002947295879 . . . . . . . 7 ILE HB . 53200 1 50 . 1 . 1 9 9 ILE C C 13 178.7872082 . . . . . . . . 7 ILE C . 53200 1 51 . 1 . 1 9 9 ILE CA C 13 61.45233928 0.01348055152 . . . . . . . 7 ILE CA . 53200 1 52 . 1 . 1 9 9 ILE CB C 13 36.740428 0.007908977674 . . . . . . . 7 ILE CB . 53200 1 53 . 1 . 1 9 9 ILE N N 15 116.3564542 0.09574598036 . . . . . . . 7 ILE N . 53200 1 54 . 1 . 1 10 10 ASP H H 1 7.716106134 0.001876184628 . . . . . . . 8 ASP H . 53200 1 55 . 1 . 1 10 10 ASP HA H 1 4.582942275 0.01703842034 . . . . . . . 8 ASP HA . 53200 1 56 . 1 . 1 10 10 ASP HB2 H 1 2.723990287 0.007898812936 . . . . . . . 8 ASP HB# . 53200 1 57 . 1 . 1 10 10 ASP HB3 H 1 2.723990287 0.007898812936 . . . . . . . 8 ASP HB# . 53200 1 58 . 1 . 1 10 10 ASP C C 13 178.5299125 . . . . . . . . 8 ASP C . 53200 1 59 . 1 . 1 10 10 ASP CA C 13 58.31986924 0.02326377049 . . . . . . . 8 ASP CA . 53200 1 60 . 1 . 1 10 10 ASP CB C 13 40.85173335 0.01569832684 . . . . . . . 8 ASP CB . 53200 1 61 . 1 . 1 10 10 ASP N N 15 124.4203442 0.04237589394 . . . . . . . 8 ASP N . 53200 1 62 . 1 . 1 11 11 ARG H H 1 8.28170495 0.004039010058 . . . . . . . 9 ARG H . 53200 1 63 . 1 . 1 11 11 ARG HA H 1 4.053462911 0.00771904717 . . . . . . . 9 ARG HA . 53200 1 64 . 1 . 1 11 11 ARG HB2 H 1 1.948612116 0.01506404963 . . . . . . . 9 ARG HB# . 53200 1 65 . 1 . 1 11 11 ARG HB3 H 1 1.948612116 0.01506404963 . . . . . . . 9 ARG HB# . 53200 1 66 . 1 . 1 11 11 ARG C C 13 179.2387233 . . . . . . . . 9 ARG C . 53200 1 67 . 1 . 1 11 11 ARG CA C 13 59.80862167 0.005820538666 . . . . . . . 9 ARG CA . 53200 1 68 . 1 . 1 11 11 ARG CB C 13 30.06982652 0.03050286233 . . . . . . . 9 ARG CB . 53200 1 69 . 1 . 1 11 11 ARG N N 15 122.09006 0.03350597077 . . . . . . . 9 ARG N . 53200 1 70 . 1 . 1 12 12 LEU H H 1 8.534014912 0.004478354093 . . . . . . . 10 LEU H . 53200 1 71 . 1 . 1 12 12 LEU HA H 1 3.964068203 0.01779871479 . . . . . . . 10 LEU HA . 53200 1 72 . 1 . 1 12 12 LEU HB2 H 1 1.583475165 0.01549372134 . . . . . . . 10 LEU HB# . 53200 1 73 . 1 . 1 12 12 LEU HB3 H 1 1.583475165 0.01549372134 . . . . . . . 10 LEU HB# . 53200 1 74 . 1 . 1 12 12 LEU C C 13 177.7059449 . . . . . . . . 10 LEU C . 53200 1 75 . 1 . 1 12 12 LEU CA C 13 58.10644959 0.01358859098 . . . . . . . 10 LEU CA . 53200 1 76 . 1 . 1 12 12 LEU CB C 13 41.4693107 0.05807212024 . . . . . . . 10 LEU CB . 53200 1 77 . 1 . 1 12 12 LEU N N 15 120.3967181 0.04802795103 . . . . . . . 10 LEU N . 53200 1 78 . 1 . 1 13 13 SER H H 1 7.843820736 0.00189222995 . . . . . . . 11 SER H . 53200 1 79 . 1 . 1 13 13 SER HA H 1 3.858425987 0.004772237658 . . . . . . . 11 SER HA . 53200 1 80 . 1 . 1 13 13 SER C C 13 175.6285004 . . . . . . . . 11 SER C . 53200 1 81 . 1 . 1 13 13 SER CA C 13 63.58570584 0.02833764054 . . . . . . . 11 SER CA . 53200 1 82 . 1 . 1 13 13 SER N N 15 114.5489745 0.03287477669 . . . . . . . 11 SER N . 53200 1 83 . 1 . 1 14 14 THR H H 1 8.415280478 0.01309526999 . . . . . . . 12 THR H . 53200 1 84 . 1 . 1 14 14 THR HA H 1 4.089247813 0.2051271741 . . . . . . . 12 THR HA . 53200 1 85 . 1 . 1 14 14 THR HB H 1 3.908805625 0.05502735958 . . . . . . . 12 THR HB . 53200 1 86 . 1 . 1 14 14 THR C C 13 175.4642138 . . . . . . . . 12 THR C . 53200 1 87 . 1 . 1 14 14 THR CA C 13 66.96651554 0.01469581218 . . . . . . . 12 THR CA . 53200 1 88 . 1 . 1 14 14 THR CB C 13 68.57606709 0.116990539 . . . . . . . 12 THR CB . 53200 1 89 . 1 . 1 14 14 THR N N 15 119.7501619 0.0965402116 . . . . . . . 12 THR N . 53200 1 90 . 1 . 1 15 15 ALA H H 1 7.968877973 0.002890231139 . . . . . . . 13 ALA H . 53200 1 91 . 1 . 1 15 15 ALA HA H 1 4.159319386 0.02184243092 . . . . . . . 13 ALA HA . 53200 1 92 . 1 . 1 15 15 ALA HB1 H 1 1.502820242 . . . . . . . . 13 ALA HB . 53200 1 93 . 1 . 1 15 15 ALA HB2 H 1 1.502820242 . . . . . . . . 13 ALA HB . 53200 1 94 . 1 . 1 15 15 ALA HB3 H 1 1.502820242 . . . . . . . . 13 ALA HB . 53200 1 95 . 1 . 1 15 15 ALA C C 13 179.4558086 . . . . . . . . 13 ALA C . 53200 1 96 . 1 . 1 15 15 ALA CA C 13 54.80884396 0.05448682918 . . . . . . . 13 ALA CA . 53200 1 97 . 1 . 1 15 15 ALA CB C 13 18.41195373 0.0438096454 . . . . . . . 13 ALA CB . 53200 1 98 . 1 . 1 15 15 ALA N N 15 122.0489314 0.07187635611 . . . . . . . 13 ALA N . 53200 1 99 . 1 . 1 16 16 ALA H H 1 8.411468464 0.01048062367 . . . . . . . 14 ALA H . 53200 1 100 . 1 . 1 16 16 ALA HA H 1 3.839976913 . . . . . . . . 14 ALA HA . 53200 1 101 . 1 . 1 16 16 ALA HB1 H 1 1.307024907 . . . . . . . . 14 ALA HB# . 53200 1 102 . 1 . 1 16 16 ALA HB2 H 1 1.307024907 . . . . . . . . 14 ALA HB# . 53200 1 103 . 1 . 1 16 16 ALA HB3 H 1 1.307024907 . . . . . . . . 14 ALA HB# . 53200 1 104 . 1 . 1 16 16 ALA C C 13 180.2264896 . . . . . . . . 14 ALA C . 53200 1 105 . 1 . 1 16 16 ALA CA C 13 55.25027785 0.1438852143 . . . . . . . 14 ALA CA . 53200 1 106 . 1 . 1 16 16 ALA CB C 13 17.57411924 0.01635434425 . . . . . . . 14 ALA CB . 53200 1 107 . 1 . 1 16 16 ALA N N 15 119.8862197 0.05252690367 . . . . . . . 14 ALA N . 53200 1 108 . 1 . 1 17 17 ALA H H 1 8.38979095 0.05269960155 . . . . . . . 15 ALA H . 53200 1 109 . 1 . 1 17 17 ALA HA H 1 4.42787126 0.01540314258 . . . . . . . 15 ALA HA . 53200 1 110 . 1 . 1 17 17 ALA HB1 H 1 1.487158993 . . . . . . . . 15 ALA HB# . 53200 1 111 . 1 . 1 17 17 ALA HB2 H 1 1.487158993 . . . . . . . . 15 ALA HB# . 53200 1 112 . 1 . 1 17 17 ALA HB3 H 1 1.487158993 . . . . . . . . 15 ALA HB# . 53200 1 113 . 1 . 1 17 17 ALA C C 13 179.7397824 . . . . . . . . 15 ALA C . 53200 1 114 . 1 . 1 17 17 ALA CA C 13 54.68231916 0.3235807723 . . . . . . . 15 ALA CA . 53200 1 115 . 1 . 1 17 17 ALA CB C 13 18.82211259 0.07001771321 . . . . . . . 15 ALA CB . 53200 1 116 . 1 . 1 17 17 ALA N N 15 121.9793701 0.06556068987 . . . . . . . 15 ALA N . 53200 1 117 . 1 . 1 18 18 ILE H H 1 7.829920868 0.003835890808 . . . . . . . 16 ILE H . 53200 1 118 . 1 . 1 18 18 ILE HA H 1 4.461483831 0.006449942021 . . . . . . . 16 ILE HA . 53200 1 119 . 1 . 1 18 18 ILE HB H 1 2.133625944 0.02600836891 . . . . . . . 16 ILE HB . 53200 1 120 . 1 . 1 18 18 ILE C C 13 177.3847788 . . . . . . . . 16 ILE C . 53200 1 121 . 1 . 1 18 18 ILE CA C 13 60.93207664 0.04796958832 . . . . . . . 16 ILE CA . 53200 1 122 . 1 . 1 18 18 ILE CB C 13 38.94355471 0.006355599652 . . . . . . . 16 ILE CB . 53200 1 123 . 1 . 1 18 18 ILE N N 15 111.0570341 0.03050817378 . . . . . . . 16 ILE N . 53200 1 124 . 1 . 1 19 19 GLY H H 1 7.704417755 0.02325985253 . . . . . . . 17 GLY H . 53200 1 125 . 1 . 1 19 19 GLY HA2 H 1 4.151311191 0.01491963597 . . . . . . . 17 GLY HA2 . 53200 1 126 . 1 . 1 19 19 GLY HA3 H 1 3.558924047 0.005669639609 . . . . . . . 17 GLY HA3 . 53200 1 127 . 1 . 1 19 19 GLY C C 13 173.2909885 . . . . . . . . 17 GLY C . 53200 1 128 . 1 . 1 19 19 GLY CA C 13 46.76905099 0.01777949222 . . . . . . . 17 GLY CA . 53200 1 129 . 1 . 1 19 19 GLY N N 15 110.8019643 0.04155922733 . . . . . . . 17 GLY N . 53200 1 130 . 1 . 1 20 20 ASP H H 1 8.247011877 0.01011758999 . . . . . . . 18 ASP H . 53200 1 131 . 1 . 1 20 20 ASP HA H 1 4.742313181 0.005248899635 . . . . . . . 18 ASP HA . 53200 1 132 . 1 . 1 20 20 ASP C C 13 174.4958179 . . . . . . . . 18 ASP C . 53200 1 133 . 1 . 1 20 20 ASP CA C 13 52.40968629 0.003503744863 . . . . . . . 18 ASP CA . 53200 1 134 . 1 . 1 20 20 ASP CB C 13 40.55368999 0.01632300289 . . . . . . . 18 ASP CB . 53200 1 135 . 1 . 1 20 20 ASP N N 15 121.2455658 0.06508006755 . . . . . . . 18 ASP N . 53200 1 136 . 1 . 1 21 21 LEU H H 1 7.977477842 0.009348123318 . . . . . . . 19 LEU H . 53200 1 137 . 1 . 1 21 21 LEU HA H 1 3.7647027 0.01762639954 . . . . . . . 19 LEU HA . 53200 1 138 . 1 . 1 21 21 LEU C C 13 177.5856458 . . . . . . . . 19 LEU C . 53200 1 139 . 1 . 1 21 21 LEU CA C 13 58.10922037 0.008950904893 . . . . . . . 19 LEU CA . 53200 1 140 . 1 . 1 21 21 LEU CB C 13 41.90216957 0.009775802056 . . . . . . . 19 LEU CB . 53200 1 141 . 1 . 1 21 21 LEU N N 15 126.5060312 0.02741330132 . . . . . . . 19 LEU N . 53200 1 142 . 1 . 1 22 22 MET H H 1 8.166529947 0.02708846825 . . . . . . . 20 MET H . 53200 1 143 . 1 . 1 22 22 MET HA H 1 4.216071728 0.005111671868 . . . . . . . 20 MET HA . 53200 1 144 . 1 . 1 22 22 MET HB2 H 1 2.151567138 0.00747077789 . . . . . . . 20 MET HB# . 53200 1 145 . 1 . 1 22 22 MET HB3 H 1 2.151567138 0.00747077789 . . . . . . . 20 MET HB# . 53200 1 146 . 1 . 1 22 22 MET C C 13 178.9138327 . . . . . . . . 20 MET C . 53200 1 147 . 1 . 1 22 22 MET CA C 13 58.78553144 0.04388313554 . . . . . . . 20 MET CA . 53200 1 148 . 1 . 1 22 22 MET CB C 13 31.77888663 0.008660094882 . . . . . . . 20 MET CB . 53200 1 149 . 1 . 1 22 22 MET N N 15 117.1353566 0.09495993528 . . . . . . . 20 MET N . 53200 1 150 . 1 . 1 23 23 GLU H H 1 7.76981924 0.004345305361 . . . . . . . 21 GLU H . 53200 1 151 . 1 . 1 23 23 GLU HA H 1 4.186852378 0.005649356824 . . . . . . . 21 GLU HA . 53200 1 152 . 1 . 1 23 23 GLU HB2 H 1 1.807494444 0.02955926413 . . . . . . . 21 GLU HB# . 53200 1 153 . 1 . 1 23 23 GLU HB3 H 1 1.807494444 0.02955926413 . . . . . . . 21 GLU HB# . 53200 1 154 . 1 . 1 23 23 GLU C C 13 180.2861953 . . . . . . . . 21 GLU C . 53200 1 155 . 1 . 1 23 23 GLU CA C 13 58.32126342 0.07333138544 . . . . . . . 21 GLU CA . 53200 1 156 . 1 . 1 23 23 GLU CB C 13 29.60692722 0.001183768341 . . . . . . . 21 GLU CB . 53200 1 157 . 1 . 1 23 23 GLU N N 15 119.7798403 0.05676344945 . . . . . . . 21 GLU N . 53200 1 158 . 1 . 1 24 24 VAL H H 1 8.155012412 0.006103556865 . . . . . . . 22 VAL H . 53200 1 159 . 1 . 1 24 24 VAL HA H 1 3.386037153 0.01394576413 . . . . . . . 22 VAL HA . 53200 1 160 . 1 . 1 24 24 VAL HB H 1 1.447547663 . . . . . . . . 22 VAL HB . 53200 1 161 . 1 . 1 24 24 VAL C C 13 177.0955244 . . . . . . . . 22 VAL C . 53200 1 162 . 1 . 1 24 24 VAL CA C 13 67.92756652 0.04198854667 . . . . . . . 22 VAL CA . 53200 1 163 . 1 . 1 24 24 VAL CB C 13 31.25788269 0.3580984983 . . . . . . . 22 VAL CB . 53200 1 164 . 1 . 1 24 24 VAL N N 15 123.5562172 0.03746599785 . . . . . . . 22 VAL N . 53200 1 165 . 1 . 1 25 25 GLU H H 1 8.599272671 0.006574183173 . . . . . . . 23 GLU H . 53200 1 166 . 1 . 1 25 25 GLU HA H 1 3.771506955 0.007668147901 . . . . . . . 23 GLU HA . 53200 1 167 . 1 . 1 25 25 GLU HB2 H 1 1.96078734 0.003782409942 . . . . . . . 23 GLU HB2 . 53200 1 168 . 1 . 1 25 25 GLU HB3 H 1 2.208830861 0.02279952611 . . . . . . . 23 GLU HB3 . 53200 1 169 . 1 . 1 25 25 GLU C C 13 179.9348728 . . . . . . . . 23 GLU C . 53200 1 170 . 1 . 1 25 25 GLU CA C 13 60.30570485 . . . . . . . . 23 GLU CA . 53200 1 171 . 1 . 1 25 25 GLU CB C 13 29.38322603 0 . . . . . . . 23 GLU CB . 53200 1 172 . 1 . 1 25 25 GLU N N 15 117.635467 0.03264825483 . . . . . . . 23 GLU N . 53200 1 173 . 1 . 1 26 26 GLN H H 1 8.400067082 0.002950600783 . . . . . . . 24 GLN H . 53200 1 174 . 1 . 1 26 26 GLN HA H 1 3.922155108 0.05561107921 . . . . . . . 24 GLN HA . 53200 1 175 . 1 . 1 26 26 GLN HB2 H 1 2.086164726 0.007563813499 . . . . . . . 24 GLN HB# . 53200 1 176 . 1 . 1 26 26 GLN HB3 H 1 2.086164726 0.007563813499 . . . . . . . 24 GLN HB# . 53200 1 177 . 1 . 1 26 26 GLN C C 13 179.744599 . . . . . . . . 24 GLN C . 53200 1 178 . 1 . 1 26 26 GLN CA C 13 58.84883225 0.00356584993 . . . . . . . 24 GLN CA . 53200 1 179 . 1 . 1 26 26 GLN CB C 13 28.76117127 0.001228490406 . . . . . . . 24 GLN CB . 53200 1 180 . 1 . 1 26 26 GLN N N 15 117.1254198 0.05079486669 . . . . . . . 24 GLN N . 53200 1 181 . 1 . 1 27 27 THR H H 1 8.254336751 0.05221786565 . . . . . . . 25 THR H . 53200 1 182 . 1 . 1 27 27 THR HA H 1 3.911506744 . . . . . . . . 25 THR HA . 53200 1 183 . 1 . 1 27 27 THR C C 13 177.1255776 . . . . . . . . 25 THR C . 53200 1 184 . 1 . 1 27 27 THR CA C 13 67.20312984 0.03985464114 . . . . . . . 25 THR CA . 53200 1 185 . 1 . 1 27 27 THR CB C 13 67.70395326 0 . . . . . . . 25 THR CB . 53200 1 186 . 1 . 1 27 27 THR N N 15 117.4260103 0.09934293761 . . . . . . . 25 THR N . 53200 1 187 . 1 . 1 28 28 LEU H H 1 8.071890276 0.003235920377 . . . . . . . 26 LEU H . 53200 1 188 . 1 . 1 28 28 LEU HA H 1 4.075655408 0.004131621243 . . . . . . . 26 LEU HA . 53200 1 189 . 1 . 1 28 28 LEU HB2 H 1 1.893668696 . . . . . . . . 26 LEU HB# . 53200 1 190 . 1 . 1 28 28 LEU HB3 H 1 1.893668696 . . . . . . . . 26 LEU HB# . 53200 1 191 . 1 . 1 28 28 LEU C C 13 178.4348749 . . . . . . . . 26 LEU C . 53200 1 192 . 1 . 1 28 28 LEU CA C 13 57.16194468 0.09775056936 . . . . . . . 26 LEU CA . 53200 1 193 . 1 . 1 28 28 LEU CB C 13 40.84807607 0.02701619384 . . . . . . . 26 LEU CB . 53200 1 194 . 1 . 1 28 28 LEU N N 15 121.7850887 0.08711184593 . . . . . . . 26 LEU N . 53200 1 195 . 1 . 1 29 29 GLN H H 1 7.406906926 0.002768522319 . . . . . . . 27 GLN H . 53200 1 196 . 1 . 1 29 29 GLN HA H 1 4.275521354 0.00310433712 . . . . . . . 27 GLN HA . 53200 1 197 . 1 . 1 29 29 GLN HB2 H 1 2.282703412 0.009858936675 . . . . . . . 27 GLN HB2 . 53200 1 198 . 1 . 1 29 29 GLN HB3 H 1 2.141288336 0.0196072424 . . . . . . . 27 GLN HB3 . 53200 1 199 . 1 . 1 29 29 GLN C C 13 176.7050515 . . . . . . . . 27 GLN C . 53200 1 200 . 1 . 1 29 29 GLN CA C 13 56.69003742 0.3311077332 . . . . . . . 27 GLN CA . 53200 1 201 . 1 . 1 29 29 GLN CB C 13 28.19162689 0.01169719265 . . . . . . . 27 GLN CB . 53200 1 202 . 1 . 1 29 29 GLN N N 15 117.2657575 0.06890485013 . . . . . . . 27 GLN N . 53200 1 203 . 1 . 1 30 30 SER H H 1 7.746736163 0.00293482402 . . . . . . . 28 SER H . 53200 1 204 . 1 . 1 30 30 SER HA H 1 4.524314935 . . . . . . . . 28 SER HA . 53200 1 205 . 1 . 1 30 30 SER HB2 H 1 4.044536486 0.0003672831972 . . . . . . . 28 SER HB# . 53200 1 206 . 1 . 1 30 30 SER HB3 H 1 4.044536486 0.0003672831972 . . . . . . . 28 SER HB# . 53200 1 207 . 1 . 1 30 30 SER C C 13 173.5463211 . . . . . . . . 28 SER C . 53200 1 208 . 1 . 1 30 30 SER CA C 13 58.68686629 0.08360539895 . . . . . . . 28 SER CA . 53200 1 209 . 1 . 1 30 30 SER CB C 13 64.14787461 0.07630481165 . . . . . . . 28 SER CB . 53200 1 210 . 1 . 1 30 30 SER N N 15 114.5552182 0.03726652879 . . . . . . . 28 SER N . 53200 1 211 . 1 . 1 31 31 ASN H H 1 8.143460244 0.02552821627 . . . . . . . 29 ASN H . 53200 1 212 . 1 . 1 31 31 ASN HA H 1 4.597268536 0.004403316073 . . . . . . . 29 ASN HA . 53200 1 213 . 1 . 1 31 31 ASN HB2 H 1 2.978025476 0.01520583064 . . . . . . . 29 ASN HB# . 53200 1 214 . 1 . 1 31 31 ASN HB3 H 1 2.978025476 0.01520583064 . . . . . . . 29 ASN HB# . 53200 1 215 . 1 . 1 31 31 ASN CA C 13 54.25136922 0.008600546738 . . . . . . . 29 ASN CA . 53200 1 216 . 1 . 1 31 31 ASN CB C 13 36.75872761 0.03153978415 . . . . . . . 29 ASN CB . 53200 1 217 . 1 . 1 31 31 ASN N N 15 116.5013894 0.03277935288 . . . . . . . 29 ASN N . 53200 1 218 . 1 . 1 32 32 VAL H H 1 7.553616183 0.00524730372 . . . . . . . 30 VAL H . 53200 1 219 . 1 . 1 32 32 VAL HA H 1 4.12618222 0.004388026551 . . . . . . . 30 VAL HA . 53200 1 220 . 1 . 1 32 32 VAL HB H 1 1.919817129 0.008904310046 . . . . . . . 30 VAL HB . 53200 1 221 . 1 . 1 32 32 VAL C C 13 173.5613612 . . . . . . . . 30 VAL C . 53200 1 222 . 1 . 1 32 32 VAL CA C 13 60.51679946 0.02683837901 . . . . . . . 30 VAL CA . 53200 1 223 . 1 . 1 32 32 VAL CB C 13 33.33554544 0.09110273009 . . . . . . . 30 VAL CB . 53200 1 224 . 1 . 1 32 32 VAL N N 15 118.131122 0.04387806828 . . . . . . . 30 VAL N . 53200 1 225 . 1 . 1 33 33 ASN H H 1 8.578493876 0.00957646229 . . . . . . . 31 ASN H . 53200 1 226 . 1 . 1 33 33 ASN HA H 1 4.830740075 0.005949674741 . . . . . . . 31 ASN HA . 53200 1 227 . 1 . 1 33 33 ASN HB2 H 1 2.856158107 0.007238086077 . . . . . . . 31 ASN HB# . 53200 1 228 . 1 . 1 33 33 ASN HB3 H 1 2.856158107 0.007238086077 . . . . . . . 31 ASN HB# . 53200 1 229 . 1 . 1 33 33 ASN C C 13 176.2404408 . . . . . . . . 31 ASN C . 53200 1 230 . 1 . 1 33 33 ASN CA C 13 51.66831865 0.009184446595 . . . . . . . 31 ASN CA . 53200 1 231 . 1 . 1 33 33 ASN CB C 13 37.91826972 0.1032948654 . . . . . . . 31 ASN CB . 53200 1 232 . 1 . 1 33 33 ASN N N 15 123.2279391 0.05566435083 . . . . . . . 31 ASN N . 53200 1 233 . 1 . 1 34 34 VAL H H 1 8.396487261 0.00711008326 . . . . . . . 32 VAL H . 53200 1 234 . 1 . 1 34 34 VAL HA H 1 3.67133412 0.002155303216 . . . . . . . 32 VAL HA . 53200 1 235 . 1 . 1 34 34 VAL HB H 1 2.10690453 0.009635663848 . . . . . . . 32 VAL HB . 53200 1 236 . 1 . 1 34 34 VAL C C 13 176.3288825 . . . . . . . . 32 VAL C . 53200 1 237 . 1 . 1 34 34 VAL CA C 13 63.91019837 0.0546104055 . . . . . . . 32 VAL CA . 53200 1 238 . 1 . 1 34 34 VAL CB C 13 31.62772197 0.1116550089 . . . . . . . 32 VAL CB . 53200 1 239 . 1 . 1 34 34 VAL N N 15 120.7423145 0.06597265627 . . . . . . . 32 VAL N . 53200 1 240 . 1 . 1 35 35 ASN H H 1 8.270775457 0.005233784764 . . . . . . . 33 ASN H . 53200 1 241 . 1 . 1 35 35 ASN HA H 1 4.975610648 0.009459747927 . . . . . . . 33 ASN HA . 53200 1 242 . 1 . 1 35 35 ASN HB2 H 1 3.006075067 0.00400682628 . . . . . . . 33 ASN HB2 . 53200 1 243 . 1 . 1 35 35 ASN HB3 H 1 2.659308453 0.008904211373 . . . . . . . 33 ASN HB3 . 53200 1 244 . 1 . 1 35 35 ASN C C 13 174.247806 . . . . . . . . 33 ASN C . 53200 1 245 . 1 . 1 35 35 ASN CA C 13 53.64742683 0.01108010001 . . . . . . . 33 ASN CA . 53200 1 246 . 1 . 1 35 35 ASN CB C 13 39.67309801 0.01133165741 . . . . . . . 33 ASN CB . 53200 1 247 . 1 . 1 35 35 ASN N N 15 118.7983225 0.0546867266 . . . . . . . 33 ASN N . 53200 1 248 . 1 . 1 36 36 GLU H H 1 7.576670485 0.005093771237 . . . . . . . 34 GLU H . 53200 1 249 . 1 . 1 36 36 GLU HA H 1 4.165328597 0.06330598241 . . . . . . . 34 GLU HA . 53200 1 250 . 1 . 1 36 36 GLU HB2 H 1 2.045839967 0.01698474715 . . . . . . . 34 GLU HB# . 53200 1 251 . 1 . 1 36 36 GLU HB3 H 1 2.045839967 0.01698474715 . . . . . . . 34 GLU HB# . 53200 1 252 . 1 . 1 36 36 GLU C C 13 175.169107 . . . . . . . . 34 GLU C . 53200 1 253 . 1 . 1 36 36 GLU CA C 13 56.76043403 0.007968838132 . . . . . . . 34 GLU CA . 53200 1 254 . 1 . 1 36 36 GLU CB C 13 30.01997798 0.001895687517 . . . . . . . 34 GLU CB . 53200 1 255 . 1 . 1 36 36 GLU N N 15 122.3341858 0.035117481 . . . . . . . 34 GLU N . 53200 1 256 . 1 . 1 37 37 LYS H H 1 8.415641742 0.03119317003 . . . . . . . 35 LYS H . 53200 1 257 . 1 . 1 37 37 LYS HA H 1 3.944668442 0.002829569682 . . . . . . . 35 LYS HA . 53200 1 258 . 1 . 1 37 37 LYS HB2 H 1 1.770925024 0.001750057214 . . . . . . . 35 LYS HB2 . 53200 1 259 . 1 . 1 37 37 LYS HB3 H 1 1.445558785 0.009533046046 . . . . . . . 35 LYS HB3 . 53200 1 260 . 1 . 1 37 37 LYS C C 13 176.5542444 . . . . . . . . 35 LYS C . 53200 1 261 . 1 . 1 37 37 LYS CA C 13 56.09053699 0.021097271 . . . . . . . 35 LYS CA . 53200 1 262 . 1 . 1 37 37 LYS CB C 13 33.69473338 0.002406802196 . . . . . . . 35 LYS CB . 53200 1 263 . 1 . 1 37 37 LYS N N 15 121.3419099 0.01654590958 . . . . . . . 35 LYS N . 53200 1 264 . 1 . 1 38 38 ASN H H 1 8.970455683 0.004993455122 . . . . . . . 36 ASN H . 53200 1 265 . 1 . 1 38 38 ASN HA H 1 4.312871883 0.01668809308 . . . . . . . 36 ASN HA . 53200 1 266 . 1 . 1 38 38 ASN C C 13 177.5930521 . . . . . . . . 36 ASN C . 53200 1 267 . 1 . 1 38 38 ASN CA C 13 51.13460705 0.005994047163 . . . . . . . 36 ASN CA . 53200 1 268 . 1 . 1 38 38 ASN CB C 13 38.10886215 0.08078605717 . . . . . . . 36 ASN CB . 53200 1 269 . 1 . 1 38 38 ASN N N 15 119.4792047 0.0407276909 . . . . . . . 36 ASN N . 53200 1 270 . 1 . 1 39 39 LYS H H 1 9.57102617 0.002718592372 . . . . . . . 37 LYS H . 53200 1 271 . 1 . 1 39 39 LYS HA H 1 4.04983678 0.006449659101 . . . . . . . 37 LYS HA . 53200 1 272 . 1 . 1 39 39 LYS HB2 H 1 1.726249323 0.01343292115 . . . . . . . 37 LYS HB# . 53200 1 273 . 1 . 1 39 39 LYS HB3 H 1 1.726249323 0.01343292115 . . . . . . . 37 LYS HB# . 53200 1 274 . 1 . 1 39 39 LYS C C 13 176.7701371 . . . . . . . . 37 LYS C . 53200 1 275 . 1 . 1 39 39 LYS CA C 13 58.84957728 0.01022461779 . . . . . . . 37 LYS CA . 53200 1 276 . 1 . 1 39 39 LYS CB C 13 31.23735857 0.01705648548 . . . . . . . 37 LYS CB . 53200 1 277 . 1 . 1 39 39 LYS N N 15 118.6058109 0.04480528386 . . . . . . . 37 LYS N . 53200 1 278 . 1 . 1 40 40 TYR H H 1 7.843388394 0.001805459115 . . . . . . . 38 TYR H . 53200 1 279 . 1 . 1 40 40 TYR HA H 1 4.722626091 0.0120285588 . . . . . . . 38 TYR HA . 53200 1 280 . 1 . 1 40 40 TYR HB2 H 1 2.774300188 . . . . . . . . 38 TYR HB2 . 53200 1 281 . 1 . 1 40 40 TYR HB3 H 1 2.767911459 . . . . . . . . 38 TYR HB3 . 53200 1 282 . 1 . 1 40 40 TYR C C 13 176.2484712 . . . . . . . . 38 TYR C . 53200 1 283 . 1 . 1 40 40 TYR CA C 13 56.74869406 0.009740501899 . . . . . . . 38 TYR CA . 53200 1 284 . 1 . 1 40 40 TYR CB C 13 37.90309978 0.02266484685 . . . . . . . 38 TYR CB . 53200 1 285 . 1 . 1 40 40 TYR N N 15 118.1736573 0.05088856896 . . . . . . . 38 TYR N . 53200 1 286 . 1 . 1 41 41 GLY H H 1 8.360202812 0.003686112844 . . . . . . . 39 GLY H . 53200 1 287 . 1 . 1 41 41 GLY HA2 H 1 4.224962131 0.01154506616 . . . . . . . 39 GLY HA2 . 53200 1 288 . 1 . 1 41 41 GLY HA3 H 1 3.729659283 0.01517513563 . . . . . . . 39 GLY HA3 . 53200 1 289 . 1 . 1 41 41 GLY C C 13 174.0963062 . . . . . . . . 39 GLY C . 53200 1 290 . 1 . 1 41 41 GLY CA C 13 46.05899521 0.01056964656 . . . . . . . 39 GLY CA . 53200 1 291 . 1 . 1 41 41 GLY N N 15 107.5001849 0.03472341259 . . . . . . . 39 GLY N . 53200 1 292 . 1 . 1 42 42 ARG H H 1 7.490351881 0.003454554894 . . . . . . . 40 ARG H . 53200 1 293 . 1 . 1 42 42 ARG HA H 1 4.872069958 0.01338692482 . . . . . . . 40 ARG HA . 53200 1 294 . 1 . 1 42 42 ARG C C 13 174.7316942 . . . . . . . . 40 ARG C . 53200 1 295 . 1 . 1 42 42 ARG CA C 13 54.07671429 0.02296642971 . . . . . . . 40 ARG CA . 53200 1 296 . 1 . 1 42 42 ARG CB C 13 34.55954395 0.05822864781 . . . . . . . 40 ARG CB . 53200 1 297 . 1 . 1 42 42 ARG N N 15 119.2254707 0.04873595828 . . . . . . . 40 ARG N . 53200 1 298 . 1 . 1 43 43 THR H H 1 9.201638957 0.003467562937 . . . . . . . 41 THR H . 53200 1 299 . 1 . 1 43 43 THR HA H 1 4.774956414 0.0000862 . . . . . . . 41 THR HA . 53200 1 300 . 1 . 1 43 43 THR C C 13 175.4064752 . . . . . . . . 41 THR C . 53200 1 301 . 1 . 1 43 43 THR CA C 13 59.46181291 0.005891353444 . . . . . . . 41 THR CA . 53200 1 302 . 1 . 1 43 43 THR CB C 13 71.44591075 0.002474403352 . . . . . . . 41 THR CB . 53200 1 303 . 1 . 1 43 43 THR N N 15 112.0558883 0.06014451862 . . . . . . . 41 THR N . 53200 1 304 . 1 . 1 44 44 ALA H H 1 8.994184714 0.007638545341 . . . . . . . 42 ALA H . 53200 1 305 . 1 . 1 44 44 ALA HA H 1 3.98531863 0.006405149627 . . . . . . . 42 ALA HA . 53200 1 306 . 1 . 1 44 44 ALA HB1 H 1 1.221990997 0.001120315389 . . . . . . . 42 ALA HB# . 53200 1 307 . 1 . 1 44 44 ALA HB2 H 1 1.221990997 0.001120315389 . . . . . . . 42 ALA HB# . 53200 1 308 . 1 . 1 44 44 ALA HB3 H 1 1.221990997 0.001120315389 . . . . . . . 42 ALA HB# . 53200 1 309 . 1 . 1 44 44 ALA C C 13 178.5205497 . . . . . . . . 42 ALA C . 53200 1 310 . 1 . 1 44 44 ALA CA C 13 54.82835451 0.0009390421361 . . . . . . . 42 ALA CA . 53200 1 311 . 1 . 1 44 44 ALA CB C 13 18.12363511 0.006134531315 . . . . . . . 42 ALA CB . 53200 1 312 . 1 . 1 44 44 ALA N N 15 121.5612863 0.05625391737 . . . . . . . 42 ALA N . 53200 1 313 . 1 . 1 45 45 LEU H H 1 8.207365342 0.005344169282 . . . . . . . 43 LEU H . 53200 1 314 . 1 . 1 45 45 LEU HA H 1 3.767775673 0.008121949804 . . . . . . . 43 LEU HA . 53200 1 315 . 1 . 1 45 45 LEU C C 13 177.4422716 . . . . . . . . 43 LEU C . 53200 1 316 . 1 . 1 45 45 LEU CA C 13 57.16564042 0.007235824718 . . . . . . . 43 LEU CA . 53200 1 317 . 1 . 1 45 45 LEU CB C 13 42.16686376 0.003314492446 . . . . . . . 43 LEU CB . 53200 1 318 . 1 . 1 45 45 LEU N N 15 114.610012 0.04637202374 . . . . . . . 43 LEU N . 53200 1 319 . 1 . 1 46 46 GLN H H 1 7.149732111 0.01071834078 . . . . . . . 44 GLN H . 53200 1 320 . 1 . 1 46 46 GLN HA H 1 3.868827629 . . . . . . . . 44 GLN HA . 53200 1 321 . 1 . 1 46 46 GLN C C 13 176.4875587 . . . . . . . . 44 GLN C . 53200 1 322 . 1 . 1 46 46 GLN CA C 13 59.0279011 0.009807591678 . . . . . . . 44 GLN CA . 53200 1 323 . 1 . 1 46 46 GLN CB C 13 30.70124221 0.02648015377 . . . . . . . 44 GLN CB . 53200 1 324 . 1 . 1 46 46 GLN N N 15 111.0604112 0.06905260454 . . . . . . . 44 GLN N . 53200 1 325 . 1 . 1 47 47 VAL H H 1 7.221183864 0.002721831979 . . . . . . . 45 VAL H . 53200 1 326 . 1 . 1 47 47 VAL HA H 1 4.51027979 0.008523067072 . . . . . . . 45 VAL HA . 53200 1 327 . 1 . 1 47 47 VAL HB H 1 2.429204773 0.02039978665 . . . . . . . 45 VAL HB . 53200 1 328 . 1 . 1 47 47 VAL C C 13 175.7933257 . . . . . . . . 45 VAL C . 53200 1 329 . 1 . 1 47 47 VAL CA C 13 60.11896997 0.03715285242 . . . . . . . 45 VAL CA . 53200 1 330 . 1 . 1 47 47 VAL CB C 13 31.83215167 0.01385490002 . . . . . . . 45 VAL CB . 53200 1 331 . 1 . 1 47 47 VAL N N 15 107.883345 0.07228412286 . . . . . . . 45 VAL N . 53200 1 332 . 1 . 1 48 48 MET H H 1 6.959461193 0.003150933641 . . . . . . . 46 MET H . 53200 1 333 . 1 . 1 48 48 MET CA C 13 55.79908087 . . . . . . . . 46 MET CA . 53200 1 334 . 1 . 1 48 48 MET CB C 13 33.4797547 . . . . . . . . 46 MET CB . 53200 1 335 . 1 . 1 48 48 MET N N 15 119.1948836 0.05136255972 . . . . . . . 46 MET N . 53200 1 336 . 1 . 1 50 50 LEU H H 1 8.166013236 0.002650881551 . . . . . . . 48 LEU H . 53200 1 337 . 1 . 1 50 50 LEU HA H 1 3.635891872 . . . . . . . . 48 LEU HA . 53200 1 338 . 1 . 1 50 50 LEU C C 13 176.8713073 . . . . . . . . 48 LEU C . 53200 1 339 . 1 . 1 50 50 LEU CA C 13 57.2281744 0.008944681805 . . . . . . . 48 LEU CA . 53200 1 340 . 1 . 1 50 50 LEU CB C 13 41.50546159 0.1143246482 . . . . . . . 48 LEU CB . 53200 1 341 . 1 . 1 50 50 LEU N N 15 129.7984161 0.01609618574 . . . . . . . 48 LEU N . 53200 1 342 . 1 . 1 51 51 GLY H H 1 7.682050478 0.01383498244 . . . . . . . 49 GLY H . 53200 1 343 . 1 . 1 51 51 GLY HA2 H 1 4.048798546 0.00337453478 . . . . . . . 49 GLY HA2 . 53200 1 344 . 1 . 1 51 51 GLY HA3 H 1 3.702327544 0.009844881292 . . . . . . . 49 GLY HA3 . 53200 1 345 . 1 . 1 51 51 GLY C C 13 173.1585754 . . . . . . . . 49 GLY C . 53200 1 346 . 1 . 1 51 51 GLY CA C 13 45.35583872 0.02295682695 . . . . . . . 49 GLY CA . 53200 1 347 . 1 . 1 51 51 GLY N N 15 104.3976881 0.06471999219 . . . . . . . 49 GLY N . 53200 1 348 . 1 . 1 52 52 CYS H H 1 7.450087765 0.008212192696 . . . . . . . 50 CYS H . 53200 1 349 . 1 . 1 52 52 CYS HA H 1 5.003966948 0.003740831355 . . . . . . . 50 CYS HA . 53200 1 350 . 1 . 1 52 52 CYS CA C 13 56.07156361 . . . . . . . . 50 CYS CA . 53200 1 351 . 1 . 1 52 52 CYS CB C 13 27.97552037 . . . . . . . . 50 CYS CB . 53200 1 352 . 1 . 1 52 52 CYS N N 15 118.7137861 0.07349423015 . . . . . . . 50 CYS N . 53200 1 353 . 1 . 1 54 54 SER H H 1 8.412770784 0.003282786729 . . . . . . . 52 SER H . 53200 1 354 . 1 . 1 54 54 SER HA H 1 4.320600537 0.0002559748586 . . . . . . . 52 SER HA . 53200 1 355 . 1 . 1 54 54 SER HB2 H 1 3.51005132 . . . . . . . . 52 SER HB# . 53200 1 356 . 1 . 1 54 54 SER HB3 H 1 3.51005132 . . . . . . . . 52 SER HB# . 53200 1 357 . 1 . 1 54 54 SER C C 13 177.7709458 . . . . . . . . 52 SER C . 53200 1 358 . 1 . 1 54 54 SER CA C 13 61.53082064 0.001237336472 . . . . . . . 52 SER CA . 53200 1 359 . 1 . 1 54 54 SER CB C 13 62.37055462 0.04371154675 . . . . . . . 52 SER CB . 53200 1 360 . 1 . 1 54 54 SER N N 15 112.677302 0.05339614243 . . . . . . . 52 SER N . 53200 1 361 . 1 . 1 55 55 ILE H H 1 7.704629185 0.003295610513 . . . . . . . 53 ILE H . 53200 1 362 . 1 . 1 55 55 ILE HA H 1 3.581424691 0.006203821573 . . . . . . . 53 ILE HA . 53200 1 363 . 1 . 1 55 55 ILE C C 13 176.6635091 . . . . . . . . 53 ILE C . 53200 1 364 . 1 . 1 55 55 ILE CA C 13 64.61398132 0.03274814925 . . . . . . . 53 ILE CA . 53200 1 365 . 1 . 1 55 55 ILE CB C 13 36.69598222 0.02164562484 . . . . . . . 53 ILE CB . 53200 1 366 . 1 . 1 55 55 ILE N N 15 123.3743131 0.09014741197 . . . . . . . 53 ILE N . 53200 1 367 . 1 . 1 56 56 ALA H H 1 6.840709352 0.007990696985 . . . . . . . 54 ALA H . 53200 1 368 . 1 . 1 56 56 ALA HA H 1 3.821760559 . . . . . . . . 54 ALA HA . 53200 1 369 . 1 . 1 56 56 ALA HB1 H 1 1.358375204 0.0008918587122 . . . . . . . 54 ALA HB# . 53200 1 370 . 1 . 1 56 56 ALA HB2 H 1 1.358375204 0.0008918587122 . . . . . . . 54 ALA HB# . 53200 1 371 . 1 . 1 56 56 ALA HB3 H 1 1.358375204 0.0008918587122 . . . . . . . 54 ALA HB# . 53200 1 372 . 1 . 1 56 56 ALA C C 13 178.3006182 . . . . . . . . 54 ALA C . 53200 1 373 . 1 . 1 56 56 ALA CA C 13 55.65230415 0.001778601322 . . . . . . . 54 ALA CA . 53200 1 374 . 1 . 1 56 56 ALA CB C 13 17.15305963 0.1211057277 . . . . . . . 54 ALA CB . 53200 1 375 . 1 . 1 56 56 ALA N N 15 121.8148353 0.1066635802 . . . . . . . 54 ALA N . 53200 1 376 . 1 . 1 57 57 GLU H H 1 8.317302539 0.008954852518 . . . . . . . 55 GLU H . 53200 1 377 . 1 . 1 57 57 GLU HA H 1 3.613209178 0.003140640367 . . . . . . . 55 GLU HA . 53200 1 378 . 1 . 1 57 57 GLU HB2 H 1 2.067313068 0.002369382381 . . . . . . . 55 GLU HB# . 53200 1 379 . 1 . 1 57 57 GLU HB3 H 1 2.067313068 0.002369382381 . . . . . . . 55 GLU HB# . 53200 1 380 . 1 . 1 57 57 GLU C C 13 178.0193905 . . . . . . . . 55 GLU C . 53200 1 381 . 1 . 1 57 57 GLU CA C 13 60.33878566 0.00788794044 . . . . . . . 55 GLU CA . 53200 1 382 . 1 . 1 57 57 GLU CB C 13 30.12222091 0.006579080049 . . . . . . . 55 GLU CB . 53200 1 383 . 1 . 1 57 57 GLU N N 15 116.7867238 0.06632732477 . . . . . . . 55 GLU N . 53200 1 384 . 1 . 1 58 58 THR H H 1 7.767612019 0.003081052803 . . . . . . . 56 THR H . 53200 1 385 . 1 . 1 58 58 THR HA H 1 3.869228264 0.02641094318 . . . . . . . 56 THR HA . 53200 1 386 . 1 . 1 58 58 THR C C 13 176.8996648 . . . . . . . . 56 THR C . 53200 1 387 . 1 . 1 58 58 THR CA C 13 67.13786677 0.011530202 . . . . . . . 56 THR CA . 53200 1 388 . 1 . 1 58 58 THR CB C 13 68.81483148 . . . . . . . . 56 THR CB . 53200 1 389 . 1 . 1 58 58 THR N N 15 115.3510538 0.04710256403 . . . . . . . 56 THR N . 53200 1 390 . 1 . 1 59 59 LEU H H 1 8.10812764 0.003359604673 . . . . . . . 57 LEU H . 53200 1 391 . 1 . 1 59 59 LEU HA H 1 4.002984542 0.04480244468 . . . . . . . 57 LEU HA . 53200 1 392 . 1 . 1 59 59 LEU C C 13 179.0780373 . . . . . . . . 57 LEU C . 53200 1 393 . 1 . 1 59 59 LEU CA C 13 58.20750279 0.01927030737 . . . . . . . 57 LEU CA . 53200 1 394 . 1 . 1 59 59 LEU CB C 13 41.12035233 0.02091497813 . . . . . . . 57 LEU CB . 53200 1 395 . 1 . 1 59 59 LEU N N 15 120.4598684 0.05162376449 . . . . . . . 57 LEU N . 53200 1 396 . 1 . 1 60 60 LEU H H 1 8.758793987 0.01204217347 . . . . . . . 58 LEU H . 53200 1 397 . 1 . 1 60 60 LEU HA H 1 4.097799148 0.02323532704 . . . . . . . 58 LEU HA . 53200 1 398 . 1 . 1 60 60 LEU HB2 H 1 1.877188774 0.001941240359 . . . . . . . 58 LEU HB# . 53200 1 399 . 1 . 1 60 60 LEU HB3 H 1 1.877188774 0.001941240359 . . . . . . . 58 LEU HB# . 53200 1 400 . 1 . 1 60 60 LEU C C 13 181.5204348 . . . . . . . . 58 LEU C . 53200 1 401 . 1 . 1 60 60 LEU CA C 13 58.64734533 0.05063668729 . . . . . . . 58 LEU CA . 53200 1 402 . 1 . 1 60 60 LEU CB C 13 40.61123152 0.01598284389 . . . . . . . 58 LEU CB . 53200 1 403 . 1 . 1 60 60 LEU N N 15 120.4922241 0.1575741822 . . . . . . . 58 LEU N . 53200 1 404 . 1 . 1 61 61 GLN H H 1 8.529755666 0.01004405863 . . . . . . . 59 GLN H . 53200 1 405 . 1 . 1 61 61 GLN HA H 1 4.097259158 0.007978909697 . . . . . . . 59 GLN HA . 53200 1 406 . 1 . 1 61 61 GLN HB2 H 1 2.178980248 0.002748473061 . . . . . . . 59 GLN HB2 . 53200 1 407 . 1 . 1 61 61 GLN C C 13 177.0563956 . . . . . . . . 59 GLN C . 53200 1 408 . 1 . 1 61 61 GLN CA C 13 58.27781108 0.4116070531 . . . . . . . 59 GLN CA . 53200 1 409 . 1 . 1 61 61 GLN CB C 13 27.81111749 0.1056860343 . . . . . . . 59 GLN CB . 53200 1 410 . 1 . 1 61 61 GLN N N 15 121.3511322 0.03208916552 . . . . . . . 59 GLN N . 53200 1 411 . 1 . 1 62 62 ALA H H 1 7.249696439 0.003262877518 . . . . . . . 60 ALA H . 53200 1 412 . 1 . 1 62 62 ALA HA H 1 4.480350223 0.01047031115 . . . . . . . 60 ALA HA . 53200 1 413 . 1 . 1 62 62 ALA HB1 H 1 1.610785922 0.0008993587885 . . . . . . . 60 ALA HB# . 53200 1 414 . 1 . 1 62 62 ALA HB2 H 1 1.610785922 0.0008993587885 . . . . . . . 60 ALA HB# . 53200 1 415 . 1 . 1 62 62 ALA HB3 H 1 1.610785922 0.0008993587885 . . . . . . . 60 ALA HB# . 53200 1 416 . 1 . 1 62 62 ALA C C 13 176.6437482 . . . . . . . . 60 ALA C . 53200 1 417 . 1 . 1 62 62 ALA CA C 13 52.07478961 0.01130163877 . . . . . . . 60 ALA CA . 53200 1 418 . 1 . 1 62 62 ALA CB C 13 19.47884183 0.02782184687 . . . . . . . 60 ALA CB . 53200 1 419 . 1 . 1 62 62 ALA N N 15 119.4303624 0.05929541232 . . . . . . . 60 ALA N . 53200 1 420 . 1 . 1 63 63 GLY H H 1 7.700973919 0.002793992002 . . . . . . . 61 GLY H . 53200 1 421 . 1 . 1 63 63 GLY HA2 H 1 4.375192189 0.01467001551 . . . . . . . 61 GLY HA2 . 53200 1 422 . 1 . 1 63 63 GLY HA3 H 1 3.719218194 0.02618089022 . . . . . . . 61 GLY HA3 . 53200 1 423 . 1 . 1 63 63 GLY C C 13 175.3919874 . . . . . . . . 61 GLY C . 53200 1 424 . 1 . 1 63 63 GLY CA C 13 44.57993739 0.005851667855 . . . . . . . 61 GLY CA . 53200 1 425 . 1 . 1 63 63 GLY N N 15 104.2889285 0.0211612819 . . . . . . . 61 GLY N . 53200 1 426 . 1 . 1 64 64 ALA H H 1 8.175181997 0.01594315786 . . . . . . . 62 ALA H . 53200 1 427 . 1 . 1 64 64 ALA HA H 1 4.104653696 0.0170222699 . . . . . . . 62 ALA HA . 53200 1 428 . 1 . 1 64 64 ALA HB1 H 1 1.089108988 0.006134945969 . . . . . . . 62 ALA HB# . 53200 1 429 . 1 . 1 64 64 ALA HB2 H 1 1.089108988 0.006134945969 . . . . . . . 62 ALA HB# . 53200 1 430 . 1 . 1 64 64 ALA HB3 H 1 1.089108988 0.006134945969 . . . . . . . 62 ALA HB# . 53200 1 431 . 1 . 1 64 64 ALA C C 13 175.5220501 . . . . . . . . 62 ALA C . 53200 1 432 . 1 . 1 64 64 ALA CA C 13 52.83209496 0.005595569402 . . . . . . . 62 ALA CA . 53200 1 433 . 1 . 1 64 64 ALA CB C 13 20.04951661 0.003531616663 . . . . . . . 62 ALA CB . 53200 1 434 . 1 . 1 64 64 ALA N N 15 123.8917612 0.07567874899 . . . . . . . 62 ALA N . 53200 1 435 . 1 . 1 65 65 ASP H H 1 8.930261815 0.005064812276 . . . . . . . 63 ASP H . 53200 1 436 . 1 . 1 65 65 ASP HA H 1 5.245956813 0.007865977761 . . . . . . . 63 ASP HA . 53200 1 437 . 1 . 1 65 65 ASP CA C 13 50.30311571 . . . . . . . . 63 ASP CA . 53200 1 438 . 1 . 1 65 65 ASP CB C 13 41.53266773 . . . . . . . . 63 ASP CB . 53200 1 439 . 1 . 1 65 65 ASP N N 15 122.626146 0.1602442201 . . . . . . . 63 ASP N . 53200 1 440 . 1 . 1 67 67 ASN H H 1 8.537788206 0.005237472927 . . . . . . . 65 ASN H . 53200 1 441 . 1 . 1 67 67 ASN HA H 1 4.844692496 0.003539529924 . . . . . . . 65 ASN HA . 53200 1 442 . 1 . 1 67 67 ASN HB2 H 1 2.911266757 0.02252495945 . . . . . . . 65 ASN HB# . 53200 1 443 . 1 . 1 67 67 ASN HB3 H 1 2.911266757 0.02252495945 . . . . . . . 65 ASN HB# . 53200 1 444 . 1 . 1 67 67 ASN C C 13 174.0412732 . . . . . . . . 65 ASN C . 53200 1 445 . 1 . 1 67 67 ASN CA C 13 53.34150395 0.01590923109 . . . . . . . 65 ASN CA . 53200 1 446 . 1 . 1 67 67 ASN CB C 13 38.66475724 0.03589383879 . . . . . . . 65 ASN CB . 53200 1 447 . 1 . 1 67 67 ASN N N 15 118.7885273 0.03233410798 . . . . . . . 65 ASN N . 53200 1 448 . 1 . 1 68 68 VAL H H 1 6.402542328 0.005766451407 . . . . . . . 66 VAL H . 53200 1 449 . 1 . 1 68 68 VAL HA H 1 3.816129124 0.008124322517 . . . . . . . 66 VAL HA . 53200 1 450 . 1 . 1 68 68 VAL HB H 1 1.969966384 0.005824941467 . . . . . . . 66 VAL HB . 53200 1 451 . 1 . 1 68 68 VAL C C 13 175.1184253 . . . . . . . . 66 VAL C . 53200 1 452 . 1 . 1 68 68 VAL CA C 13 62.7689917 0.01519880789 . . . . . . . 66 VAL CA . 53200 1 453 . 1 . 1 68 68 VAL CB C 13 32.07888479 0.03285811008 . . . . . . . 66 VAL CB . 53200 1 454 . 1 . 1 68 68 VAL N N 15 116.724682 0.03889231522 . . . . . . . 66 VAL N . 53200 1 455 . 1 . 1 69 69 ARG H H 1 8.423797311 0.005022849145 . . . . . . . 67 ARG H . 53200 1 456 . 1 . 1 69 69 ARG HA H 1 4.556855333 0.002234847593 . . . . . . . 67 ARG HA . 53200 1 457 . 1 . 1 69 69 ARG HB2 H 1 1.444380935 0.01318639996 . . . . . . . 67 ARG HB# . 53200 1 458 . 1 . 1 69 69 ARG HB3 H 1 1.444380935 0.01318639996 . . . . . . . 67 ARG HB# . 53200 1 459 . 1 . 1 69 69 ARG C C 13 177.0395155 . . . . . . . . 67 ARG C . 53200 1 460 . 1 . 1 69 69 ARG CA C 13 54.00923707 0.005147137771 . . . . . . . 67 ARG CA . 53200 1 461 . 1 . 1 69 69 ARG CB C 13 33.04035951 0.08272694038 . . . . . . . 67 ARG CB . 53200 1 462 . 1 . 1 69 69 ARG N N 15 124.091081 0.05439369907 . . . . . . . 67 ARG N . 53200 1 463 . 1 . 1 70 70 ASP H H 1 8.72380247 0.01866250251 . . . . . . . 68 ASP H . 53200 1 464 . 1 . 1 70 70 ASP HA H 1 4.661459807 0.1050164159 . . . . . . . 68 ASP HA . 53200 1 465 . 1 . 1 70 70 ASP CA C 13 52.56202588 . . . . . . . . 68 ASP CA . 53200 1 466 . 1 . 1 70 70 ASP CB C 13 42.72067223 . . . . . . . . 68 ASP CB . 53200 1 467 . 1 . 1 70 70 ASP N N 15 125.1269145 0.03651954935 . . . . . . . 68 ASP N . 53200 1 468 . 1 . 1 72 72 ILE H H 1 8.228092975 0.002406272674 . . . . . . . 70 ILE H . 53200 1 469 . 1 . 1 72 72 ILE HA H 1 4.085509599 0.004909208946 . . . . . . . 70 ILE HA . 53200 1 470 . 1 . 1 72 72 ILE HB H 1 2.006049348 0.007879377584 . . . . . . . 70 ILE HB . 53200 1 471 . 1 . 1 72 72 ILE C C 13 177.3021683 . . . . . . . . 70 ILE C . 53200 1 472 . 1 . 1 72 72 ILE CA C 13 62.46628315 0.008389886342 . . . . . . . 70 ILE CA . 53200 1 473 . 1 . 1 72 72 ILE CB C 13 37.76236327 0.1731093242 . . . . . . . 70 ILE CB . 53200 1 474 . 1 . 1 72 72 ILE N N 15 119.4143533 0.05926617908 . . . . . . . 70 ILE N . 53200 1 475 . 1 . 1 73 73 LEU H H 1 9.068419073 0.006047166405 . . . . . . . 71 LEU H . 53200 1 476 . 1 . 1 73 73 LEU HA H 1 4.475985085 0.01965954354 . . . . . . . 71 LEU HA . 53200 1 477 . 1 . 1 73 73 LEU HB2 H 1 1.60095026 0.006796256057 . . . . . . . 71 LEU HB# . 53200 1 478 . 1 . 1 73 73 LEU HB3 H 1 1.60095026 0.006796256057 . . . . . . . 71 LEU HB# . 53200 1 479 . 1 . 1 73 73 LEU C C 13 179.2443444 . . . . . . . . 71 LEU C . 53200 1 480 . 1 . 1 73 73 LEU CA C 13 55.09856285 0.006057739821 . . . . . . . 71 LEU CA . 53200 1 481 . 1 . 1 73 73 LEU CB C 13 44.15895102 0.1176245702 . . . . . . . 71 LEU CB . 53200 1 482 . 1 . 1 73 73 LEU N N 15 117.8341984 0.04477350895 . . . . . . . 71 LEU N . 53200 1 483 . 1 . 1 74 74 GLY H H 1 7.936410113 0.007329489663 . . . . . . . 72 GLY H . 53200 1 484 . 1 . 1 74 74 GLY HA2 H 1 3.813067742 . . . . . . . . 72 GLY HA2 . 53200 1 485 . 1 . 1 74 74 GLY HA3 H 1 3.917598598 . . . . . . . . 72 GLY HA3 . 53200 1 486 . 1 . 1 74 74 GLY C C 13 172.1537531 . . . . . . . . 72 GLY C . 53200 1 487 . 1 . 1 74 74 GLY CA C 13 46.37330525 0.0006172056103 . . . . . . . 72 GLY CA . 53200 1 488 . 1 . 1 74 74 GLY N N 15 109.5433131 0.072575963 . . . . . . . 72 GLY N . 53200 1 489 . 1 . 1 75 75 LEU H H 1 6.847695667 0.005249714355 . . . . . . . 73 LEU H . 53200 1 490 . 1 . 1 75 75 LEU HA H 1 3.746257659 0.0262869781 . . . . . . . 73 LEU HA . 53200 1 491 . 1 . 1 75 75 LEU C C 13 177.4806216 . . . . . . . . 73 LEU C . 53200 1 492 . 1 . 1 75 75 LEU CA C 13 55.38106432 0.04354233681 . . . . . . . 73 LEU CA . 53200 1 493 . 1 . 1 75 75 LEU CB C 13 43.59343124 0.0505197464 . . . . . . . 73 LEU CB . 53200 1 494 . 1 . 1 75 75 LEU N N 15 116.7270659 0.0277328848 . . . . . . . 73 LEU N . 53200 1 495 . 1 . 1 76 76 THR H H 1 8.421784183 0.006133088461 . . . . . . . 74 THR H . 53200 1 496 . 1 . 1 76 76 THR HA H 1 5.26046674 . . . . . . . . 74 THR HA . 53200 1 497 . 1 . 1 76 76 THR C C 13 175.9637004 . . . . . . . . 74 THR C . 53200 1 498 . 1 . 1 76 76 THR CA C 13 60.34940074 0.0002926793693 . . . . . . . 74 THR CA . 53200 1 499 . 1 . 1 76 76 THR CB C 13 73.2094103 0.07016125114 . . . . . . . 74 THR CB . 53200 1 500 . 1 . 1 76 76 THR N N 15 114.9891755 0.05120450761 . . . . . . . 74 THR N . 53200 1 501 . 1 . 1 77 77 VAL H H 1 10.00055162 0.01642461179 . . . . . . . 75 VAL H . 53200 1 502 . 1 . 1 77 77 VAL HA H 1 4.404216643 . . . . . . . . 75 VAL HA . 53200 1 503 . 1 . 1 77 77 VAL HB H 1 2.076650709 . . . . . . . . 75 VAL HB . 53200 1 504 . 1 . 1 77 77 VAL CA C 13 64.86009114 0.06476242432 . . . . . . . 75 VAL CA . 53200 1 505 . 1 . 1 77 77 VAL CB C 13 31.97013086 0.02045308408 . . . . . . . 75 VAL CB . 53200 1 506 . 1 . 1 77 77 VAL N N 15 121.8355414 0.04481751028 . . . . . . . 75 VAL N . 53200 1 507 . 1 . 1 78 78 ILE H H 1 7.964706767 0.006566016128 . . . . . . . 76 ILE H . 53200 1 508 . 1 . 1 78 78 ILE HA H 1 3.64197402 . . . . . . . . 76 ILE HA . 53200 1 509 . 1 . 1 78 78 ILE C C 13 178.581311 . . . . . . . . 76 ILE C . 53200 1 510 . 1 . 1 78 78 ILE CA C 13 65.19235527 0.07257617182 . . . . . . . 76 ILE CA . 53200 1 511 . 1 . 1 78 78 ILE CB C 13 38.3646128 1.689885055 . . . . . . . 76 ILE CB . 53200 1 512 . 1 . 1 78 78 ILE N N 15 119.9121023 0.07579213045 . . . . . . . 76 ILE N . 53200 1 513 . 1 . 1 79 79 HIS H H 1 7.794108995 0.0178943878 . . . . . . . 77 HIS H . 53200 1 514 . 1 . 1 79 79 HIS HA H 1 3.75448871 0.002608240051 . . . . . . . 77 HIS HA . 53200 1 515 . 1 . 1 79 79 HIS C C 13 177.3233639 . . . . . . . . 77 HIS C . 53200 1 516 . 1 . 1 79 79 HIS CA C 13 63.86218924 0.00775067865 . . . . . . . 77 HIS CA . 53200 1 517 . 1 . 1 79 79 HIS CB C 13 31.73832865 0.04009658127 . . . . . . . 77 HIS CB . 53200 1 518 . 1 . 1 79 79 HIS N N 15 118.8082393 0.04245547712 . . . . . . . 77 HIS N . 53200 1 519 . 1 . 1 80 80 ASP H H 1 7.67840838 0.03915759368 . . . . . . . 78 ASP H . 53200 1 520 . 1 . 1 80 80 ASP HA H 1 4.262137181 0.01862367147 . . . . . . . 78 ASP HA . 53200 1 521 . 1 . 1 80 80 ASP HB2 H 1 2.885426147 0.02029877541 . . . . . . . 78 ASP HB# . 53200 1 522 . 1 . 1 80 80 ASP HB3 H 1 2.885426147 0.02029877541 . . . . . . . 78 ASP HB# . 53200 1 523 . 1 . 1 80 80 ASP C C 13 177.5849446 . . . . . . . . 78 ASP C . 53200 1 524 . 1 . 1 80 80 ASP CA C 13 57.96872432 0.0001964245001 . . . . . . . 78 ASP CA . 53200 1 525 . 1 . 1 80 80 ASP CB C 13 41.36257539 . . . . . . . . 78 ASP CB . 53200 1 526 . 1 . 1 80 80 ASP N N 15 118.7991759 0.03132430115 . . . . . . . 78 ASP N . 53200 1 527 . 1 . 1 81 81 ALA H H 1 8.573956189 0.2553108937 . . . . . . . 79 ALA H . 53200 1 528 . 1 . 1 81 81 ALA HA H 1 4.12219031 0.01085278643 . . . . . . . 79 ALA HA . 53200 1 529 . 1 . 1 81 81 ALA HB1 H 1 1.40969839 0.002378215228 . . . . . . . 79 ALA HB# . 53200 1 530 . 1 . 1 81 81 ALA HB2 H 1 1.40969839 0.002378215228 . . . . . . . 79 ALA HB# . 53200 1 531 . 1 . 1 81 81 ALA HB3 H 1 1.40969839 0.002378215228 . . . . . . . 79 ALA HB# . 53200 1 532 . 1 . 1 81 81 ALA C C 13 178.6279678 . . . . . . . . 79 ALA C . 53200 1 533 . 1 . 1 81 81 ALA CA C 13 55.38237129 0.01979002415 . . . . . . . 79 ALA CA . 53200 1 534 . 1 . 1 81 81 ALA CB C 13 17.27795553 0.01712741509 . . . . . . . 79 ALA CB . 53200 1 535 . 1 . 1 81 81 ALA N N 15 119.3139983 0.06355310412 . . . . . . . 79 ALA N . 53200 1 536 . 1 . 1 82 82 ALA H H 1 8.082354181 0.004334913817 . . . . . . . 80 ALA H . 53200 1 537 . 1 . 1 82 82 ALA HA H 1 3.946892265 0.01147009447 . . . . . . . 80 ALA HA . 53200 1 538 . 1 . 1 82 82 ALA HB1 H 1 1.392520769 0.01330378326 . . . . . . . 80 ALA HB# . 53200 1 539 . 1 . 1 82 82 ALA HB2 H 1 1.392520769 0.01330378326 . . . . . . . 80 ALA HB# . 53200 1 540 . 1 . 1 82 82 ALA HB3 H 1 1.392520769 0.01330378326 . . . . . . . 80 ALA HB# . 53200 1 541 . 1 . 1 82 82 ALA C C 13 177.8416377 . . . . . . . . 80 ALA C . 53200 1 542 . 1 . 1 82 82 ALA CA C 13 55.04989461 0.01703286438 . . . . . . . 80 ALA CA . 53200 1 543 . 1 . 1 82 82 ALA CB C 13 19.60239988 0.1081827827 . . . . . . . 80 ALA CB . 53200 1 544 . 1 . 1 82 82 ALA N N 15 118.3346779 0.009145519704 . . . . . . . 80 ALA N . 53200 1 545 . 1 . 1 83 83 ARG H H 1 8.481823107 0.004973749208 . . . . . . . 81 ARG H . 53200 1 546 . 1 . 1 83 83 ARG HA H 1 3.557413811 0.04570308253 . . . . . . . 81 ARG HA . 53200 1 547 . 1 . 1 83 83 ARG C C 13 176.5082956 . . . . . . . . 81 ARG C . 53200 1 548 . 1 . 1 83 83 ARG CA C 13 58.84408133 0.01426547967 . . . . . . . 81 ARG CA . 53200 1 549 . 1 . 1 83 83 ARG CB C 13 30.05689027 0.09064863063 . . . . . . . 81 ARG CB . 53200 1 550 . 1 . 1 83 83 ARG N N 15 116.5547758 0.1154338554 . . . . . . . 81 ARG N . 53200 1 551 . 1 . 1 84 84 ASP H H 1 7.642471261 0.005068136653 . . . . . . . 82 ASP H . 53200 1 552 . 1 . 1 84 84 ASP HA H 1 4.850996191 0.02405145459 . . . . . . . 82 ASP HA . 53200 1 553 . 1 . 1 84 84 ASP C C 13 178.8495942 . . . . . . . . 82 ASP C . 53200 1 554 . 1 . 1 84 84 ASP CA C 13 53.96949846 0.02473038708 . . . . . . . 82 ASP CA . 53200 1 555 . 1 . 1 84 84 ASP CB C 13 41.07991811 0.008166195312 . . . . . . . 82 ASP CB . 53200 1 556 . 1 . 1 84 84 ASP N N 15 110.9687807 0.06596477812 . . . . . . . 82 ASP N . 53200 1 557 . 1 . 1 85 85 GLY H H 1 7.226495044 0.001275720427 . . . . . . . 83 GLY H . 53200 1 558 . 1 . 1 85 85 GLY HA2 H 1 2.739217787 . . . . . . . . 83 GLY HA# . 53200 1 559 . 1 . 1 85 85 GLY HA3 H 1 2.739217787 . . . . . . . . 83 GLY HA# . 53200 1 560 . 1 . 1 85 85 GLY C C 13 174.3067019 . . . . . . . . 83 GLY C . 53200 1 561 . 1 . 1 85 85 GLY CA C 13 45.09449798 0.006227711656 . . . . . . . 83 GLY CA . 53200 1 562 . 1 . 1 85 85 GLY N N 15 107.9443569 0.05742511859 . . . . . . . 83 GLY N . 53200 1 563 . 1 . 1 86 86 TYR H H 1 8.354729315 0.003557155433 . . . . . . . 84 TYR H . 53200 1 564 . 1 . 1 86 86 TYR HA H 1 4.484643136 . . . . . . . . 84 TYR HA . 53200 1 565 . 1 . 1 86 86 TYR HB2 H 1 2.435453247 . . . . . . . . 84 TYR HB2 . 53200 1 566 . 1 . 1 86 86 TYR CA C 13 57.38930317 . . . . . . . . 84 TYR CA . 53200 1 567 . 1 . 1 86 86 TYR CB C 13 36.48841509 . . . . . . . . 84 TYR CB . 53200 1 568 . 1 . 1 86 86 TYR N N 15 122.0179428 0.01135006288 . . . . . . . 84 TYR N . 53200 1 569 . 1 . 1 87 87 LEU H H 1 7.545374065 0.003192212684 . . . . . . . 85 LEU H . 53200 1 570 . 1 . 1 87 87 LEU HA H 1 3.564873645 0.01330212337 . . . . . . . 85 LEU HA . 53200 1 571 . 1 . 1 87 87 LEU HB2 H 1 1.684567733 0.01230603009 . . . . . . . 85 LEU HB2 . 53200 1 572 . 1 . 1 87 87 LEU HB3 H 1 1.084477137 0.001635337295 . . . . . . . 85 LEU HB3 . 53200 1 573 . 1 . 1 87 87 LEU C C 13 175.1723597 . . . . . . . . 85 LEU C . 53200 1 574 . 1 . 1 87 87 LEU CA C 13 57.86707253 0.04343043131 . . . . . . . 85 LEU CA . 53200 1 575 . 1 . 1 87 87 LEU CB C 13 41.95452426 0.03342838284 . . . . . . . 85 LEU CB . 53200 1 576 . 1 . 1 87 87 LEU N N 15 125.1049666 0.03302265539 . . . . . . . 85 LEU N . 53200 1 577 . 1 . 1 88 88 ASP H H 1 8.462526004 0.004711598342 . . . . . . . 86 ASP H . 53200 1 578 . 1 . 1 88 88 ASP HA H 1 4.153891619 0.01406607857 . . . . . . . 86 ASP HA . 53200 1 579 . 1 . 1 88 88 ASP C C 13 177.7092921 . . . . . . . . 86 ASP C . 53200 1 580 . 1 . 1 88 88 ASP CA C 13 57.12975559 . . . . . . . . 86 ASP CA . 53200 1 581 . 1 . 1 88 88 ASP CB C 13 39.43031507 . . . . . . . . 86 ASP CB . 53200 1 582 . 1 . 1 88 88 ASP N N 15 118.2540479 0.1045210716 . . . . . . . 86 ASP N . 53200 1 583 . 1 . 1 90 90 LEU H H 1 8.166860239 0.003815131621 . . . . . . . 88 LEU H . 53200 1 584 . 1 . 1 90 90 LEU HA H 1 3.838016835 . . . . . . . . 88 LEU HA . 53200 1 585 . 1 . 1 90 90 LEU HB2 H 1 1.436980943 . . . . . . . . 88 LEU HB# . 53200 1 586 . 1 . 1 90 90 LEU HB3 H 1 1.436980943 . . . . . . . . 88 LEU HB# . 53200 1 587 . 1 . 1 90 90 LEU C C 13 177.7188414 . . . . . . . . 88 LEU C . 53200 1 588 . 1 . 1 90 90 LEU CA C 13 59.34673768 0.01603234623 . . . . . . . 88 LEU CA . 53200 1 589 . 1 . 1 90 90 LEU CB C 13 41.65205177 0.008770122611 . . . . . . . 88 LEU CB . 53200 1 590 . 1 . 1 90 90 LEU N N 15 123.1573194 0.1524874877 . . . . . . . 88 LEU N . 53200 1 591 . 1 . 1 91 91 HIS H H 1 8.602459827 0.002342740587 . . . . . . . 89 HIS H . 53200 1 592 . 1 . 1 91 91 HIS HA H 1 3.952251866 0.0005319843454 . . . . . . . 89 HIS HA . 53200 1 593 . 1 . 1 91 91 HIS HB2 H 1 3.0566875 0.003936229426 . . . . . . . 89 HIS HB# . 53200 1 594 . 1 . 1 91 91 HIS HB3 H 1 3.0566875 0.003936229426 . . . . . . . 89 HIS HB# . 53200 1 595 . 1 . 1 91 91 HIS C C 13 177.50715 . . . . . . . . 89 HIS C . 53200 1 596 . 1 . 1 91 91 HIS CA C 13 58.51286147 0.003415075636 . . . . . . . 89 HIS CA . 53200 1 597 . 1 . 1 91 91 HIS CB C 13 29.04561418 0.209762113 . . . . . . . 89 HIS CB . 53200 1 598 . 1 . 1 91 91 HIS N N 15 117.6829592 0.06750518032 . . . . . . . 89 HIS N . 53200 1 599 . 1 . 1 92 92 VAL H H 1 7.413244723 0.007023073769 . . . . . . . 90 VAL H . 53200 1 600 . 1 . 1 92 92 VAL HA H 1 3.667122974 0.02129639875 . . . . . . . 90 VAL HA . 53200 1 601 . 1 . 1 92 92 VAL HB H 1 2.887199512 0.07450488137 . . . . . . . 90 VAL HB . 53200 1 602 . 1 . 1 92 92 VAL C C 13 179.3978633 . . . . . . . . 90 VAL C . 53200 1 603 . 1 . 1 92 92 VAL CA C 13 66.32304832 0.005353861616 . . . . . . . 90 VAL CA . 53200 1 604 . 1 . 1 92 92 VAL CB C 13 31.76363018 0.08806500741 . . . . . . . 90 VAL CB . 53200 1 605 . 1 . 1 92 92 VAL N N 15 118.5494831 0.01779068694 . . . . . . . 90 VAL N . 53200 1 606 . 1 . 1 93 93 LEU H H 1 8.344150348 0.003887169036 . . . . . . . 91 LEU H . 53200 1 607 . 1 . 1 93 93 LEU HA H 1 3.810304365 0.002759381302 . . . . . . . 91 LEU HA . 53200 1 608 . 1 . 1 93 93 LEU C C 13 178.5910635 . . . . . . . . 91 LEU C . 53200 1 609 . 1 . 1 93 93 LEU CA C 13 58.83405796 0.01956431811 . . . . . . . 91 LEU CA . 53200 1 610 . 1 . 1 93 93 LEU CB C 13 41.22426832 0.1314799657 . . . . . . . 91 LEU CB . 53200 1 611 . 1 . 1 93 93 LEU N N 15 120.4994077 0.05026286033 . . . . . . . 91 LEU N . 53200 1 612 . 1 . 1 94 94 ALA H H 1 8.774864393 0.002673995582 . . . . . . . 92 ALA H . 53200 1 613 . 1 . 1 94 94 ALA HA H 1 4.089459179 0.008010894361 . . . . . . . 92 ALA HA . 53200 1 614 . 1 . 1 94 94 ALA HB1 H 1 1.635806209 0.009294997025 . . . . . . . 92 ALA HB# . 53200 1 615 . 1 . 1 94 94 ALA HB2 H 1 1.635806209 0.009294997025 . . . . . . . 92 ALA HB# . 53200 1 616 . 1 . 1 94 94 ALA HB3 H 1 1.635806209 0.009294997025 . . . . . . . 92 ALA HB# . 53200 1 617 . 1 . 1 94 94 ALA C C 13 180.2765165 . . . . . . . . 92 ALA C . 53200 1 618 . 1 . 1 94 94 ALA CA C 13 55.29118079 0.01428505356 . . . . . . . 92 ALA CA . 53200 1 619 . 1 . 1 94 94 ALA CB C 13 17.86441962 0.0540359124 . . . . . . . 92 ALA CB . 53200 1 620 . 1 . 1 94 94 ALA N N 15 121.1695204 0.03896342282 . . . . . . . 92 ALA N . 53200 1 621 . 1 . 1 95 95 GLN H H 1 8.193342135 0.00349742682 . . . . . . . 93 GLN H . 53200 1 622 . 1 . 1 95 95 GLN HA H 1 4.346731272 0.006788065104 . . . . . . . 93 GLN HA . 53200 1 623 . 1 . 1 95 95 GLN HB2 H 1 2.20372184 0.0005747013039 . . . . . . . 93 GLN HB# . 53200 1 624 . 1 . 1 95 95 GLN HB3 H 1 2.20372184 0.0005747013039 . . . . . . . 93 GLN HB# . 53200 1 625 . 1 . 1 95 95 GLN C C 13 176.2383977 . . . . . . . . 93 GLN C . 53200 1 626 . 1 . 1 95 95 GLN CA C 13 57.2512966 0.008814579734 . . . . . . . 93 GLN CA . 53200 1 627 . 1 . 1 95 95 GLN CB C 13 28.93555169 0.1142336718 . . . . . . . 93 GLN CB . 53200 1 628 . 1 . 1 95 95 GLN N N 15 116.5730003 0.03862954467 . . . . . . . 93 GLN N . 53200 1 629 . 1 . 1 96 96 ASN H H 1 7.495021675 0.006204732892 . . . . . . . 94 ASN H . 53200 1 630 . 1 . 1 96 96 ASN HA H 1 4.957088908 . . . . . . . . 94 ASN HA . 53200 1 631 . 1 . 1 96 96 ASN HB2 H 1 3.004620441 0.002528317612 . . . . . . . 94 ASN HB2 . 53200 1 632 . 1 . 1 96 96 ASN HB3 H 1 2.618483601 0.01065636996 . . . . . . . 94 ASN HB3 . 53200 1 633 . 1 . 1 96 96 ASN C C 13 174.6463343 . . . . . . . . 94 ASN C . 53200 1 634 . 1 . 1 96 96 ASN CA C 13 53.50108031 0.001966419437 . . . . . . . 94 ASN CA . 53200 1 635 . 1 . 1 96 96 ASN CB C 13 41.5313337 0.06290079372 . . . . . . . 94 ASN CB . 53200 1 636 . 1 . 1 96 96 ASN N N 15 116.7885223 0.06599192724 . . . . . . . 94 ASN N . 53200 1 637 . 1 . 1 97 97 GLY H H 1 7.765535366 0.009966459607 . . . . . . . 95 GLY H . 53200 1 638 . 1 . 1 97 97 GLY HA2 H 1 4.198423905 0.01170498335 . . . . . . . 95 GLY HA2 . 53200 1 639 . 1 . 1 97 97 GLY HA3 H 1 3.771913437 0.009166777448 . . . . . . . 95 GLY HA3 . 53200 1 640 . 1 . 1 97 97 GLY C C 13 175.1462993 . . . . . . . . 95 GLY C . 53200 1 641 . 1 . 1 97 97 GLY CA C 13 46.16011196 0.02482467918 . . . . . . . 95 GLY CA . 53200 1 642 . 1 . 1 97 97 GLY N N 15 104.1006364 0.05478323275 . . . . . . . 95 GLY N . 53200 1 643 . 1 . 1 98 98 ALA H H 1 7.856128141 0.01167697831 . . . . . . . 96 ALA H . 53200 1 644 . 1 . 1 98 98 ALA HA H 1 4.118644706 0.0134089724 . . . . . . . 96 ALA HA . 53200 1 645 . 1 . 1 98 98 ALA HB1 H 1 1.06861374 0.0175748589 . . . . . . . 96 ALA HB# . 53200 1 646 . 1 . 1 98 98 ALA HB2 H 1 1.06861374 0.0175748589 . . . . . . . 96 ALA HB# . 53200 1 647 . 1 . 1 98 98 ALA HB3 H 1 1.06861374 0.0175748589 . . . . . . . 96 ALA HB# . 53200 1 648 . 1 . 1 98 98 ALA C C 13 175.7066318 . . . . . . . . 96 ALA C . 53200 1 649 . 1 . 1 98 98 ALA CA C 13 52.61734528 0.002769291641 . . . . . . . 96 ALA CA . 53200 1 650 . 1 . 1 98 98 ALA CB C 13 19.99792862 0.01407307387 . . . . . . . 96 ALA CB . 53200 1 651 . 1 . 1 98 98 ALA N N 15 121.504509 0.1006835373 . . . . . . . 96 ALA N . 53200 1 652 . 1 . 1 99 99 ASP H H 1 9.081313773 0.01256068856 . . . . . . . 97 ASP H . 53200 1 653 . 1 . 1 99 99 ASP HA H 1 4.730920047 0.01772265799 . . . . . . . 97 ASP HA . 53200 1 654 . 1 . 1 99 99 ASP HB2 H 1 2.51028103 . . . . . . . . 97 ASP HB# . 53200 1 655 . 1 . 1 99 99 ASP HB3 H 1 2.51028103 . . . . . . . . 97 ASP HB# . 53200 1 656 . 1 . 1 99 99 ASP C C 13 176.8401095 . . . . . . . . 97 ASP C . 53200 1 657 . 1 . 1 99 99 ASP CA C 13 53.03462864 0.01489164896 . . . . . . . 97 ASP CA . 53200 1 658 . 1 . 1 99 99 ASP CB C 13 40.15853343 0.1163302351 . . . . . . . 97 ASP CB . 53200 1 659 . 1 . 1 99 99 ASP N N 15 123.9503622 0.02022338824 . . . . . . . 97 ASP N . 53200 1 660 . 1 . 1 100 100 VAL H H 1 8.11504199 0.03332479133 . . . . . . . 98 VAL H . 53200 1 661 . 1 . 1 100 100 VAL HA H 1 4.10880425 0.005482384819 . . . . . . . 98 VAL HA . 53200 1 662 . 1 . 1 100 100 VAL C C 13 179.6537414 . . . . . . . . 98 VAL C . 53200 1 663 . 1 . 1 100 100 VAL CA C 13 61.89509691 0.04345831269 . . . . . . . 98 VAL CA . 53200 1 664 . 1 . 1 100 100 VAL CB C 13 30.400499 0.02922163102 . . . . . . . 98 VAL CB . 53200 1 665 . 1 . 1 100 100 VAL N N 15 116.7672833 0.1171657959 . . . . . . . 98 VAL N . 53200 1 666 . 1 . 1 101 101 ASN H H 1 8.751345025 0.005371819368 . . . . . . . 99 ASN H . 53200 1 667 . 1 . 1 101 101 ASN HA H 1 5.223762131 0.01662556976 . . . . . . . 99 ASN HA . 53200 1 668 . 1 . 1 101 101 ASN HB2 H 1 2.713385215 0.01007814388 . . . . . . . 99 ASN HB# . 53200 1 669 . 1 . 1 101 101 ASN HB3 H 1 2.713385215 0.01007814388 . . . . . . . 99 ASN HB# . 53200 1 670 . 1 . 1 101 101 ASN C C 13 174.5434899 . . . . . . . . 99 ASN C . 53200 1 671 . 1 . 1 101 101 ASN CA C 13 53.20797186 0.009990187341 . . . . . . . 99 ASN CA . 53200 1 672 . 1 . 1 101 101 ASN CB C 13 39.76911252 0.0627030155 . . . . . . . 99 ASN CB . 53200 1 673 . 1 . 1 101 101 ASN N N 15 118.1471569 0.07167775482 . . . . . . . 99 ASN N . 53200 1 674 . 1 . 1 102 102 LEU H H 1 6.769590523 0.008362428769 . . . . . . . 100 LEU H . 53200 1 675 . 1 . 1 102 102 LEU HA H 1 4.278196247 0.03336876185 . . . . . . . 100 LEU HA . 53200 1 676 . 1 . 1 102 102 LEU HB2 H 1 1.8386244 0.01531429354 . . . . . . . 100 LEU HB# . 53200 1 677 . 1 . 1 102 102 LEU HB3 H 1 1.8386244 0.01531429354 . . . . . . . 100 LEU HB# . 53200 1 678 . 1 . 1 102 102 LEU C C 13 175.6164392 . . . . . . . . 100 LEU C . 53200 1 679 . 1 . 1 102 102 LEU CA C 13 55.17209628 0.001752622224 . . . . . . . 100 LEU CA . 53200 1 680 . 1 . 1 102 102 LEU CB C 13 42.15972301 0.01170922071 . . . . . . . 100 LEU CB . 53200 1 681 . 1 . 1 102 102 LEU N N 15 119.8975447 0.03271488804 . . . . . . . 100 LEU N . 53200 1 682 . 1 . 1 103 103 LEU H H 1 8.256762008 0.05037230737 . . . . . . . 101 LEU H . 53200 1 683 . 1 . 1 103 103 LEU HA H 1 5.077686685 0.01118231859 . . . . . . . 101 LEU HA . 53200 1 684 . 1 . 1 103 103 LEU HB2 H 1 1.887940257 0.006029664604 . . . . . . . 101 LEU HB2 . 53200 1 685 . 1 . 1 103 103 LEU HB3 H 1 1.203978153 0.01385510961 . . . . . . . 101 LEU HB3 . 53200 1 686 . 1 . 1 103 103 LEU C C 13 177.1627862 . . . . . . . . 101 LEU C . 53200 1 687 . 1 . 1 103 103 LEU CA C 13 52.76086341 0.007370022513 . . . . . . . 101 LEU CA . 53200 1 688 . 1 . 1 103 103 LEU CB C 13 44.65028837 0.03183479722 . . . . . . . 101 LEU CB . 53200 1 689 . 1 . 1 103 103 LEU N N 15 118.3046986 0.0214042701 . . . . . . . 101 LEU N . 53200 1 690 . 1 . 1 104 104 ASP H H 1 8.059045468 0.04896332366 . . . . . . . 102 ASP H . 53200 1 691 . 1 . 1 104 104 ASP HA H 1 4.612069384 0.01283845363 . . . . . . . 102 ASP HA . 53200 1 692 . 1 . 1 104 104 ASP C C 13 178.4147342 . . . . . . . . 102 ASP C . 53200 1 693 . 1 . 1 104 104 ASP CA C 13 52.67949225 0.03165667318 . . . . . . . 102 ASP CA . 53200 1 694 . 1 . 1 104 104 ASP CB C 13 40.65712952 0.0560217886 . . . . . . . 102 ASP CB . 53200 1 695 . 1 . 1 104 104 ASP N N 15 122.0000244 0.06611513803 . . . . . . . 102 ASP N . 53200 1 696 . 1 . 1 105 105 ASN H H 1 7.916418058 0.00627338446 . . . . . . . 103 ASN H . 53200 1 697 . 1 . 1 105 105 ASN HA H 1 4.4252542 0.07750733271 . . . . . . . 103 ASN HA . 53200 1 698 . 1 . 1 105 105 ASN HB2 H 1 2.938856887 0.009110444478 . . . . . . . 103 ASN HB2 . 53200 1 699 . 1 . 1 105 105 ASN HB3 H 1 1.6809363 0.03119311038 . . . . . . . 103 ASN HB3 . 53200 1 700 . 1 . 1 105 105 ASN C C 13 175.7445314 . . . . . . . . 103 ASN C . 53200 1 701 . 1 . 1 105 105 ASN CA C 13 55.27511441 0.07319982796 . . . . . . . 103 ASN CA . 53200 1 702 . 1 . 1 105 105 ASN CB C 13 37.00339292 0.02428827443 . . . . . . . 103 ASN CB . 53200 1 703 . 1 . 1 105 105 ASN N N 15 115.7660655 0.04135105144 . . . . . . . 103 ASN N . 53200 1 704 . 1 . 1 106 106 ASP H H 1 8.331699792 0.03145437684 . . . . . . . 104 ASP H . 53200 1 705 . 1 . 1 106 106 ASP HA H 1 4.826335474 0.001957121243 . . . . . . . 104 ASP HA . 53200 1 706 . 1 . 1 106 106 ASP HB2 H 1 2.896777578 . . . . . . . . 104 ASP HB# . 53200 1 707 . 1 . 1 106 106 ASP HB3 H 1 2.896777578 . . . . . . . . 104 ASP HB# . 53200 1 708 . 1 . 1 106 106 ASP C C 13 176.5176785 . . . . . . . . 104 ASP C . 53200 1 709 . 1 . 1 106 106 ASP CA C 13 53.98055879 0.03344840929 . . . . . . . 104 ASP CA . 53200 1 710 . 1 . 1 106 106 ASP CB C 13 41.92127637 0.04684095731 . . . . . . . 104 ASP CB . 53200 1 711 . 1 . 1 106 106 ASP N N 15 120.6627001 0.07458844803 . . . . . . . 104 ASP N . 53200 1 712 . 1 . 1 107 107 GLY H H 1 8.21858876 0.01021977952 . . . . . . . 105 GLY H . 53200 1 713 . 1 . 1 107 107 GLY HA2 H 1 3.959347621 0.01006992139 . . . . . . . 105 GLY HA2 . 53200 1 714 . 1 . 1 107 107 GLY HA3 H 1 3.685205149 0.01674915477 . . . . . . . 105 GLY HA3 . 53200 1 715 . 1 . 1 107 107 GLY C C 13 172.9073212 . . . . . . . . 105 GLY C . 53200 1 716 . 1 . 1 107 107 GLY CA C 13 46.96952858 0.05187815927 . . . . . . . 105 GLY CA . 53200 1 717 . 1 . 1 107 107 GLY N N 15 109.3256005 0.07729391311 . . . . . . . 105 GLY N . 53200 1 718 . 1 . 1 108 108 ASN H H 1 8.98253686 0.006288682154 . . . . . . . 106 ASN H . 53200 1 719 . 1 . 1 108 108 ASN HA H 1 4.232530302 0.00164595141 . . . . . . . 106 ASN HA . 53200 1 720 . 1 . 1 108 108 ASN CA C 13 53.13155844 . . . . . . . . 106 ASN CA . 53200 1 721 . 1 . 1 108 108 ASN CB C 13 38.9005877 . . . . . . . . 106 ASN CB . 53200 1 722 . 1 . 1 108 108 ASN N N 15 117.3980234 0.1006446276 . . . . . . . 106 ASN N . 53200 1 723 . 1 . 1 111 111 LEU H H 1 7.164130529 0.003281873032 . . . . . . . 109 LEU H . 53200 1 724 . 1 . 1 111 111 LEU HA H 1 3.84252474 0.002075724587 . . . . . . . 109 LEU HA . 53200 1 725 . 1 . 1 111 111 LEU HB2 H 1 2.538414711 . . . . . . . . 109 LEU HB# . 53200 1 726 . 1 . 1 111 111 LEU HB3 H 1 2.538414711 . . . . . . . . 109 LEU HB# . 53200 1 727 . 1 . 1 111 111 LEU C C 13 177.3959777 . . . . . . . . 109 LEU C . 53200 1 728 . 1 . 1 111 111 LEU CA C 13 58.26089114 0.008973354889 . . . . . . . 109 LEU CA . 53200 1 729 . 1 . 1 111 111 LEU CB C 13 42.41040797 0.0187451803 . . . . . . . 109 LEU CB . 53200 1 730 . 1 . 1 111 111 LEU N N 15 111.9422251 0.05130932718 . . . . . . . 109 LEU N . 53200 1 731 . 1 . 1 112 112 HIS H H 1 7.581236507 0.006446406672 . . . . . . . 110 HIS H . 53200 1 732 . 1 . 1 112 112 HIS HA H 1 3.672294261 0.01285059099 . . . . . . . 110 HIS HA . 53200 1 733 . 1 . 1 112 112 HIS C C 13 177.0716499 . . . . . . . . 110 HIS C . 53200 1 734 . 1 . 1 112 112 HIS CA C 13 64.35904679 0.02766540493 . . . . . . . 110 HIS CA . 53200 1 735 . 1 . 1 112 112 HIS CB C 13 31.76159606 0.06363833953 . . . . . . . 110 HIS CB . 53200 1 736 . 1 . 1 112 112 HIS N N 15 116.0608669 0.09983882475 . . . . . . . 110 HIS N . 53200 1 737 . 1 . 1 113 113 LEU H H 1 6.935750701 0.008290956005 . . . . . . . 111 LEU H . 53200 1 738 . 1 . 1 113 113 LEU HA H 1 3.977315616 0.01531105803 . . . . . . . 111 LEU HA . 53200 1 739 . 1 . 1 113 113 LEU HB2 H 1 1.317347497 0.01391048141 . . . . . . . 111 LEU HB# . 53200 1 740 . 1 . 1 113 113 LEU HB3 H 1 1.317347497 0.01391048141 . . . . . . . 111 LEU HB# . 53200 1 741 . 1 . 1 113 113 LEU C C 13 177.926882 . . . . . . . . 111 LEU C . 53200 1 742 . 1 . 1 113 113 LEU CA C 13 57.30209664 0.002897996885 . . . . . . . 111 LEU CA . 53200 1 743 . 1 . 1 113 113 LEU CB C 13 40.84024379 0.02880257261 . . . . . . . 111 LEU CB . 53200 1 744 . 1 . 1 113 113 LEU N N 15 114.32232 0.03778767929 . . . . . . . 111 LEU N . 53200 1 745 . 1 . 1 114 114 ALA H H 1 7.8996376 0.0316961294 . . . . . . . 112 ALA H . 53200 1 746 . 1 . 1 114 114 ALA HA H 1 4.126568111 0.005981460688 . . . . . . . 112 ALA HA . 53200 1 747 . 1 . 1 114 114 ALA HB1 H 1 1.367477397 0.003153880434 . . . . . . . 112 ALA HB# . 53200 1 748 . 1 . 1 114 114 ALA HB2 H 1 1.367477397 0.003153880434 . . . . . . . 112 ALA HB# . 53200 1 749 . 1 . 1 114 114 ALA HB3 H 1 1.367477397 0.003153880434 . . . . . . . 112 ALA HB# . 53200 1 750 . 1 . 1 114 114 ALA C C 13 178.6099908 . . . . . . . . 112 ALA C . 53200 1 751 . 1 . 1 114 114 ALA CA C 13 54.79005629 0.03684044838 . . . . . . . 112 ALA CA . 53200 1 752 . 1 . 1 114 114 ALA CB C 13 19.64418012 0.08983916599 . . . . . . . 112 ALA CB . 53200 1 753 . 1 . 1 114 114 ALA N N 15 118.5066567 0.0194155584 . . . . . . . 112 ALA N . 53200 1 754 . 1 . 1 115 115 ALA H H 1 7.986961174 0.002692609713 . . . . . . . 113 ALA H . 53200 1 755 . 1 . 1 115 115 ALA HA H 1 3.853776515 0.002470955896 . . . . . . . 113 ALA HA . 53200 1 756 . 1 . 1 115 115 ALA HB1 H 1 1.310575006 0.004185103948 . . . . . . . 113 ALA HB# . 53200 1 757 . 1 . 1 115 115 ALA HB2 H 1 1.310575006 0.004185103948 . . . . . . . 113 ALA HB# . 53200 1 758 . 1 . 1 115 115 ALA HB3 H 1 1.310575006 0.004185103948 . . . . . . . 113 ALA HB# . 53200 1 759 . 1 . 1 115 115 ALA C C 13 178.8706131 . . . . . . . . 113 ALA C . 53200 1 760 . 1 . 1 115 115 ALA CA C 13 55.07943326 0.02379880134 . . . . . . . 113 ALA CA . 53200 1 761 . 1 . 1 115 115 ALA CB C 13 18.73789705 0.04429482546 . . . . . . . 113 ALA CB . 53200 1 762 . 1 . 1 115 115 ALA N N 15 118.5373718 0.03615126527 . . . . . . . 113 ALA N . 53200 1 763 . 1 . 1 116 116 ARG H H 1 8.102055894 0.003009333774 . . . . . . . 114 ARG H . 53200 1 764 . 1 . 1 116 116 ARG HA H 1 3.23872239 0.002530127931 . . . . . . . 114 ARG HA . 53200 1 765 . 1 . 1 116 116 ARG C C 13 175.872369 . . . . . . . . 114 ARG C . 53200 1 766 . 1 . 1 116 116 ARG CA C 13 59.04757605 0.01391116107 . . . . . . . 114 ARG CA . 53200 1 767 . 1 . 1 116 116 ARG CB C 13 31.15020017 0.08115239609 . . . . . . . 114 ARG CB . 53200 1 768 . 1 . 1 116 116 ARG N N 15 117.7947075 0.04340680295 . . . . . . . 114 ARG N . 53200 1 769 . 1 . 1 117 117 GLU H H 1 6.934108452 0.003892950838 . . . . . . . 115 GLU H . 53200 1 770 . 1 . 1 117 117 GLU HA H 1 4.083756321 0.009213360182 . . . . . . . 115 GLU HA . 53200 1 771 . 1 . 1 117 117 GLU C C 13 177.104035 . . . . . . . . 115 GLU C . 53200 1 772 . 1 . 1 117 117 GLU CA C 13 54.4075595 0.005992938992 . . . . . . . 115 GLU CA . 53200 1 773 . 1 . 1 117 117 GLU CB C 13 29.95911858 0.06485171661 . . . . . . . 115 GLU CB . 53200 1 774 . 1 . 1 117 117 GLU N N 15 108.7020473 0.124050352 . . . . . . . 115 GLU N . 53200 1 775 . 1 . 1 118 118 GLY H H 1 7.808905694 0.003540013909 . . . . . . . 116 GLY H . 53200 1 776 . 1 . 1 118 118 GLY HA2 H 1 3.695476887 0.003116576176 . . . . . . . 116 GLY HA# . 53200 1 777 . 1 . 1 118 118 GLY HA3 H 1 3.695476887 0.003116576176 . . . . . . . 116 GLY HA# . 53200 1 778 . 1 . 1 118 118 GLY C C 13 178.6325694 . . . . . . . . 116 GLY C . 53200 1 779 . 1 . 1 118 118 GLY CA C 13 46.49682832 0.0009910979751 . . . . . . . 116 GLY CA . 53200 1 780 . 1 . 1 118 118 GLY N N 15 109.2289829 0.04104544241 . . . . . . . 116 GLY N . 53200 1 781 . 1 . 1 119 119 HIS H H 1 8.127217099 0.008174335029 . . . . . . . 117 HIS H . 53200 1 782 . 1 . 1 119 119 HIS HA H 1 5.181033576 0.01782715154 . . . . . . . 117 HIS HA . 53200 1 783 . 1 . 1 119 119 HIS HB2 H 1 3.148068433 0.004496065208 . . . . . . . 117 HIS HB# . 53200 1 784 . 1 . 1 119 119 HIS HB3 H 1 3.148068433 0.004496065208 . . . . . . . 117 HIS HB# . 53200 1 785 . 1 . 1 119 119 HIS C C 13 175.1329212 . . . . . . . . 117 HIS C . 53200 1 786 . 1 . 1 119 119 HIS CA C 13 52.91010648 0.01466673651 . . . . . . . 117 HIS CA . 53200 1 787 . 1 . 1 119 119 HIS CB C 13 27.4399706 0.002785551876 . . . . . . . 117 HIS CB . 53200 1 788 . 1 . 1 119 119 HIS N N 15 118.3625842 0.03123218952 . . . . . . . 117 HIS N . 53200 1 789 . 1 . 1 120 120 LEU H H 1 7.920526227 0.008844518236 . . . . . . . 118 LEU H . 53200 1 790 . 1 . 1 120 120 LEU HA H 1 3.746867862 0.001462461757 . . . . . . . 118 LEU HA . 53200 1 791 . 1 . 1 120 120 LEU HB2 H 1 1.43238502 0.006770366583 . . . . . . . 118 LEU HB# . 53200 1 792 . 1 . 1 120 120 LEU HB3 H 1 1.43238502 0.006770366583 . . . . . . . 118 LEU HB# . 53200 1 793 . 1 . 1 120 120 LEU C C 13 176.7831237 . . . . . . . . 118 LEU C . 53200 1 794 . 1 . 1 120 120 LEU CA C 13 57.99824406 0.002215501616 . . . . . . . 118 LEU CA . 53200 1 795 . 1 . 1 120 120 LEU CB C 13 40.85879678 0.0234883931 . . . . . . . 118 LEU CB . 53200 1 796 . 1 . 1 120 120 LEU N N 15 128.1560652 0.04656177959 . . . . . . . 118 LEU N . 53200 1 797 . 1 . 1 121 121 ASP H H 1 8.661793251 0.004722709822 . . . . . . . 119 ASP H . 53200 1 798 . 1 . 1 121 121 ASP HA H 1 4.077853164 0.003859631184 . . . . . . . 119 ASP HA . 53200 1 799 . 1 . 1 121 121 ASP HB2 H 1 2.707499592 0.009896435098 . . . . . . . 119 ASP HB2 . 53200 1 800 . 1 . 1 121 121 ASP HB3 H 1 2.537585426 0.001149484332 . . . . . . . 119 ASP HB3 . 53200 1 801 . 1 . 1 121 121 ASP C C 13 179.5802861 . . . . . . . . 119 ASP C . 53200 1 802 . 1 . 1 121 121 ASP CA C 13 56.71513719 0.01873387074 . . . . . . . 119 ASP CA . 53200 1 803 . 1 . 1 121 121 ASP CB C 13 38.09158248 0.006815436038 . . . . . . . 119 ASP CB . 53200 1 804 . 1 . 1 121 121 ASP N N 15 117.4462021 0.06622429611 . . . . . . . 119 ASP N . 53200 1 805 . 1 . 1 122 122 VAL H H 1 7.805293312 0.003654552943 . . . . . . . 120 VAL H . 53200 1 806 . 1 . 1 122 122 VAL HA H 1 3.497851598 0.005905184875 . . . . . . . 120 VAL HA . 53200 1 807 . 1 . 1 122 122 VAL C C 13 173.8812577 . . . . . . . . 120 VAL C . 53200 1 808 . 1 . 1 122 122 VAL CA C 13 66.32324709 0.0001434543015 . . . . . . . 120 VAL CA . 53200 1 809 . 1 . 1 122 122 VAL CB C 13 31.5385477 0.07198550469 . . . . . . . 120 VAL CB . 53200 1 810 . 1 . 1 122 122 VAL N N 15 123.7070414 0.09584259747 . . . . . . . 120 VAL N . 53200 1 811 . 1 . 1 123 123 VAL H H 1 8.146833186 0.01652674758 . . . . . . . 121 VAL H . 53200 1 812 . 1 . 1 123 123 VAL HA H 1 3.2752575 . . . . . . . . 121 VAL HA . 53200 1 813 . 1 . 1 123 123 VAL C C 13 176.6744036 . . . . . . . . 121 VAL C . 53200 1 814 . 1 . 1 123 123 VAL CA C 13 66.86673169 0.03182218707 . . . . . . . 121 VAL CA . 53200 1 815 . 1 . 1 123 123 VAL CB C 13 31.64985838 0.1232249573 . . . . . . . 121 VAL CB . 53200 1 816 . 1 . 1 123 123 VAL N N 15 120.4300296 0.1078878378 . . . . . . . 121 VAL N . 53200 1 817 . 1 . 1 124 124 GLN H H 1 8.55658121 0.008596991492 . . . . . . . 122 GLN H . 53200 1 818 . 1 . 1 124 124 GLN HA H 1 3.40797965 0.009937250455 . . . . . . . 122 GLN HA . 53200 1 819 . 1 . 1 124 124 GLN HB2 H 1 1.758027748 0.02647931774 . . . . . . . 122 GLN HB# . 53200 1 820 . 1 . 1 124 124 GLN HB3 H 1 1.758027748 0.02647931774 . . . . . . . 122 GLN HB# . 53200 1 821 . 1 . 1 124 124 GLN C C 13 179.149091 . . . . . . . . 122 GLN C . 53200 1 822 . 1 . 1 124 124 GLN CA C 13 58.89100579 0.02177100371 . . . . . . . 122 GLN CA . 53200 1 823 . 1 . 1 124 124 GLN CB C 13 27.15747921 0.0002457111385 . . . . . . . 122 GLN CB . 53200 1 824 . 1 . 1 124 124 GLN N N 15 114.9712196 0.06794139101 . . . . . . . 122 GLN N . 53200 1 825 . 1 . 1 125 125 PHE H H 1 7.885858207 0.04209527013 . . . . . . . 123 PHE H . 53200 1 826 . 1 . 1 125 125 PHE HA H 1 4.166715857 0.03316447657 . . . . . . . 123 PHE HA . 53200 1 827 . 1 . 1 125 125 PHE HB2 H 1 3.284674486 0.01432889037 . . . . . . . 123 PHE HB# . 53200 1 828 . 1 . 1 125 125 PHE HB3 H 1 3.284674486 0.01432889037 . . . . . . . 123 PHE HB# . 53200 1 829 . 1 . 1 125 125 PHE C C 13 177.2305877 . . . . . . . . 123 PHE C . 53200 1 830 . 1 . 1 125 125 PHE CA C 13 62.14298604 0.01197179921 . . . . . . . 123 PHE CA . 53200 1 831 . 1 . 1 125 125 PHE CB C 13 39.46434753 0.009125472682 . . . . . . . 123 PHE CB . 53200 1 832 . 1 . 1 125 125 PHE N N 15 121.9878376 0.07298957715 . . . . . . . 123 PHE N . 53200 1 833 . 1 . 1 126 126 LEU H H 1 8.46652239 0.003286203667 . . . . . . . 124 LEU H . 53200 1 834 . 1 . 1 126 126 LEU HA H 1 3.75617682 0.0007586481599 . . . . . . . 124 LEU HA . 53200 1 835 . 1 . 1 126 126 LEU HB2 H 1 1.312517076 0.04517704164 . . . . . . . 124 LEU HB# . 53200 1 836 . 1 . 1 126 126 LEU HB3 H 1 1.312517076 0.04517704164 . . . . . . . 124 LEU HB# . 53200 1 837 . 1 . 1 126 126 LEU C C 13 176.6468381 . . . . . . . . 124 LEU C . 53200 1 838 . 1 . 1 126 126 LEU CA C 13 58.12209373 0.01371785042 . . . . . . . 124 LEU CA . 53200 1 839 . 1 . 1 126 126 LEU CB C 13 42.86515938 0.1301290544 . . . . . . . 124 LEU CB . 53200 1 840 . 1 . 1 126 126 LEU N N 15 118.8135446 0.05182517054 . . . . . . . 124 LEU N . 53200 1 841 . 1 . 1 127 127 VAL H H 1 7.847467781 0.01478715273 . . . . . . . 125 VAL H . 53200 1 842 . 1 . 1 127 127 VAL HA H 1 3.749821572 0.004670476005 . . . . . . . 125 VAL HA . 53200 1 843 . 1 . 1 127 127 VAL HB H 1 2.721255658 . . . . . . . . 125 VAL HB . 53200 1 844 . 1 . 1 127 127 VAL C C 13 177.3064291 . . . . . . . . 125 VAL C . 53200 1 845 . 1 . 1 127 127 VAL CA C 13 65.37056021 0.005179521808 . . . . . . . 125 VAL CA . 53200 1 846 . 1 . 1 127 127 VAL CB C 13 32.62392458 . . . . . . . . 125 VAL CB . 53200 1 847 . 1 . 1 127 127 VAL N N 15 112.0684045 0.1412602068 . . . . . . . 125 VAL N . 53200 1 848 . 1 . 1 128 128 THR H H 1 8.315625698 0.01154496105 . . . . . . . 126 THR H . 53200 1 849 . 1 . 1 128 128 THR HA H 1 4.320376035 0.001680180946 . . . . . . . 126 THR HA . 53200 1 850 . 1 . 1 128 128 THR C C 13 177.2947803 . . . . . . . . 126 THR C . 53200 1 851 . 1 . 1 128 128 THR CA C 13 64.41678664 0.005663034769 . . . . . . . 126 THR CA . 53200 1 852 . 1 . 1 128 128 THR CB C 13 70.22258365 0.117313536 . . . . . . . 126 THR CB . 53200 1 853 . 1 . 1 128 128 THR N N 15 108.7761124 0.07115856236 . . . . . . . 126 THR N . 53200 1 854 . 1 . 1 129 129 HIS H H 1 8.013810228 0.001777357198 . . . . . . . 127 HIS H . 53200 1 855 . 1 . 1 129 129 HIS HA H 1 4.644268782 0.008983099961 . . . . . . . 127 HIS HA . 53200 1 856 . 1 . 1 129 129 HIS HB2 H 1 2.87572175 0.009182523718 . . . . . . . 127 HIS HB2 . 53200 1 857 . 1 . 1 129 129 HIS HB3 H 1 2.4472836 0.004741732322 . . . . . . . 127 HIS HB3 . 53200 1 858 . 1 . 1 129 129 HIS C C 13 175.3430504 . . . . . . . . 127 HIS C . 53200 1 859 . 1 . 1 129 129 HIS CA C 13 56.640658 0.01622497386 . . . . . . . 127 HIS CA . 53200 1 860 . 1 . 1 129 129 HIS CB C 13 30.64634344 0.008443492286 . . . . . . . 127 HIS CB . 53200 1 861 . 1 . 1 129 129 HIS N N 15 117.8514255 0.01358299959 . . . . . . . 127 HIS N . 53200 1 862 . 1 . 1 130 130 CYS H H 1 6.891940549 0.007838494854 . . . . . . . 128 CYS H . 53200 1 863 . 1 . 1 130 130 CYS HA H 1 4.538015513 0.008313832198 . . . . . . . 128 CYS HA . 53200 1 864 . 1 . 1 130 130 CYS HB2 H 1 3.944105908 . . . . . . . . 128 CYS HB# . 53200 1 865 . 1 . 1 130 130 CYS HB3 H 1 3.944105908 . . . . . . . . 128 CYS HB# . 53200 1 866 . 1 . 1 130 130 CYS C C 13 176.9402189 . . . . . . . . 128 CYS C . 53200 1 867 . 1 . 1 130 130 CYS CA C 13 57.07817728 0.004824730547 . . . . . . . 128 CYS CA . 53200 1 868 . 1 . 1 130 130 CYS CB C 13 29.60855365 0.01958302693 . . . . . . . 128 CYS CB . 53200 1 869 . 1 . 1 130 130 CYS N N 15 116.4677932 0.06511110977 . . . . . . . 128 CYS N . 53200 1 870 . 1 . 1 131 131 VAL H H 1 8.120537465 0.007337147991 . . . . . . . 129 VAL H . 53200 1 871 . 1 . 1 131 131 VAL HA H 1 4.110288462 0.008850124264 . . . . . . . 129 VAL HA . 53200 1 872 . 1 . 1 131 131 VAL HB H 1 2.063359031 0.00133569296 . . . . . . . 129 VAL HB . 53200 1 873 . 1 . 1 131 131 VAL CA C 13 62.62964599 0.03344056469 . . . . . . . 129 VAL CA . 53200 1 874 . 1 . 1 131 131 VAL CB C 13 30.69308874 0.0326833207 . . . . . . . 129 VAL CB . 53200 1 875 . 1 . 1 131 131 VAL N N 15 119.8420813 0.05331019001 . . . . . . . 129 VAL N . 53200 1 876 . 1 . 1 132 132 THR H H 1 8.936372227 0.002409976033 . . . . . . . 130 THR H . 53200 1 877 . 1 . 1 132 132 THR C C 13 172.6623751 . . . . . . . . 130 THR C . 53200 1 878 . 1 . 1 132 132 THR CA C 13 58.11976928 0.001257048749 . . . . . . . 130 THR CA . 53200 1 879 . 1 . 1 132 132 THR CB C 13 70.47948231 0.1245744836 . . . . . . . 130 THR CB . 53200 1 880 . 1 . 1 132 132 THR N N 15 122.349394 0.04581507747 . . . . . . . 130 THR N . 53200 1 881 . 1 . 1 133 133 GLN H H 1 7.8497216 0.4434692078 . . . . . . . 131 GLN H . 53200 1 882 . 1 . 1 133 133 GLN HA H 1 4.915862601 0.01567391001 . . . . . . . 131 GLN HA . 53200 1 883 . 1 . 1 133 133 GLN CA C 13 52.80614559 . . . . . . . . 131 GLN CA . 53200 1 884 . 1 . 1 133 133 GLN CB C 13 31.83201281 . . . . . . . . 131 GLN CB . 53200 1 885 . 1 . 1 133 133 GLN N N 15 121.345264 0.05588160128 . . . . . . . 131 GLN N . 53200 1 886 . 1 . 1 135 135 PHE H H 1 8.266215825 0.003000392678 . . . . . . . 133 PHE H . 53200 1 887 . 1 . 1 135 135 PHE HA H 1 4.672920929 0.01061018575 . . . . . . . 133 PHE HA . 53200 1 888 . 1 . 1 135 135 PHE HB2 H 1 3.547121109 0.01203042738 . . . . . . . 133 PHE HB2 . 53200 1 889 . 1 . 1 135 135 PHE HB3 H 1 2.781859233 0.004743169601 . . . . . . . 133 PHE HB3 . 53200 1 890 . 1 . 1 135 135 PHE C C 13 174.5875367 . . . . . . . . 133 PHE C . 53200 1 891 . 1 . 1 135 135 PHE CA C 13 55.05954 0.03420107864 . . . . . . . 133 PHE CA . 53200 1 892 . 1 . 1 135 135 PHE CB C 13 38.23938362 0.0736858922 . . . . . . . 133 PHE CB . 53200 1 893 . 1 . 1 135 135 PHE N N 15 114.2221153 0.04966857932 . . . . . . . 133 PHE N . 53200 1 894 . 1 . 1 136 136 LEU H H 1 6.957666531 0.003223516577 . . . . . . . 134 LEU H . 53200 1 895 . 1 . 1 136 136 LEU HA H 1 4.218806476 0.01428463761 . . . . . . . 134 LEU HA . 53200 1 896 . 1 . 1 136 136 LEU HB2 H 1 1.546622103 . . . . . . . . 134 LEU HB# . 53200 1 897 . 1 . 1 136 136 LEU HB3 H 1 1.546622103 . . . . . . . . 134 LEU HB# . 53200 1 898 . 1 . 1 136 136 LEU C C 13 176.260066 . . . . . . . . 134 LEU C . 53200 1 899 . 1 . 1 136 136 LEU CA C 13 55.56187868 0.03193261345 . . . . . . . 134 LEU CA . 53200 1 900 . 1 . 1 136 136 LEU CB C 13 43.96909957 0.1346405058 . . . . . . . 134 LEU CB . 53200 1 901 . 1 . 1 136 136 LEU N N 15 122.4548957 0.04563065624 . . . . . . . 134 LEU N . 53200 1 902 . 1 . 1 137 137 ALA H H 1 8.723984723 0.006099042408 . . . . . . . 135 ALA H . 53200 1 903 . 1 . 1 137 137 ALA HA H 1 4.307016261 0.07412572119 . . . . . . . 135 ALA HA . 53200 1 904 . 1 . 1 137 137 ALA HB1 H 1 1.338112693 0.002247003956 . . . . . . . 135 ALA HB# . 53200 1 905 . 1 . 1 137 137 ALA HB2 H 1 1.338112693 0.002247003956 . . . . . . . 135 ALA HB# . 53200 1 906 . 1 . 1 137 137 ALA HB3 H 1 1.338112693 0.002247003956 . . . . . . . 135 ALA HB# . 53200 1 907 . 1 . 1 137 137 ALA C C 13 178.4865063 . . . . . . . . 135 ALA C . 53200 1 908 . 1 . 1 137 137 ALA CA C 13 51.17901249 0.06504207314 . . . . . . . 135 ALA CA . 53200 1 909 . 1 . 1 137 137 ALA CB C 13 19.3759154 0.1019818853 . . . . . . . 135 ALA CB . 53200 1 910 . 1 . 1 137 137 ALA N N 15 129.5936371 0.04946196938 . . . . . . . 135 ALA N . 53200 1 911 . 1 . 1 138 138 ASN H H 1 8.622867922 0.01082119552 . . . . . . . 136 ASN H . 53200 1 912 . 1 . 1 138 138 ASN HA H 1 4.544374231 0.01333352578 . . . . . . . 136 ASN HA . 53200 1 913 . 1 . 1 138 138 ASN CB C 13 36.9148209 . . . . . . . . 136 ASN CB . 53200 1 914 . 1 . 1 138 138 ASN N N 15 121.5941944 0.05845554585 . . . . . . . 136 ASN N . 53200 1 915 . 1 . 1 140 140 LYS H H 1 7.377484551 0.006545600087 . . . . . . . 138 LYS H . 53200 1 916 . 1 . 1 140 140 LYS HA H 1 4.21148154 0.006370757579 . . . . . . . 138 LYS HA . 53200 1 917 . 1 . 1 140 140 LYS HB2 H 1 1.878358328 0.002253339948 . . . . . . . 138 LYS HB2 . 53200 1 918 . 1 . 1 140 140 LYS HB3 H 1 1.648504813 0.001693252119 . . . . . . . 138 LYS HB3 . 53200 1 919 . 1 . 1 140 140 LYS C C 13 175.6727239 . . . . . . . . 138 LYS C . 53200 1 920 . 1 . 1 140 140 LYS CA C 13 54.80735923 0.5276073064 . . . . . . . 138 LYS CA . 53200 1 921 . 1 . 1 140 140 LYS CB C 13 32.98420594 0.09249619055 . . . . . . . 138 LYS CB . 53200 1 922 . 1 . 1 140 140 LYS N N 15 115.9200125 0.06178980725 . . . . . . . 138 LYS N . 53200 1 923 . 1 . 1 141 141 GLY H H 1 7.897338099 0.00482517911 . . . . . . . 139 GLY H . 53200 1 924 . 1 . 1 141 141 GLY HA2 H 1 4.082899835 0.005077680662 . . . . . . . 139 GLY HA2 . 53200 1 925 . 1 . 1 141 141 GLY HA3 H 1 3.551338215 0.01423382627 . . . . . . . 139 GLY HA3 . 53200 1 926 . 1 . 1 141 141 GLY C C 13 174.0669893 . . . . . . . . 139 GLY C . 53200 1 927 . 1 . 1 141 141 GLY CA C 13 45.14137298 0.001221339984 . . . . . . . 139 GLY CA . 53200 1 928 . 1 . 1 141 141 GLY N N 15 105.5661585 0.07111950976 . . . . . . . 139 GLY N . 53200 1 929 . 1 . 1 142 142 TYR H H 1 7.726867869 0.007976042586 . . . . . . . 140 TYR H . 53200 1 930 . 1 . 1 142 142 TYR HA H 1 5.455541331 0.01128004145 . . . . . . . 140 TYR HA . 53200 1 931 . 1 . 1 142 142 TYR HB2 H 1 2.875555895 0.01328021858 . . . . . . . 140 TYR HB2 . 53200 1 932 . 1 . 1 142 142 TYR HB3 H 1 3.565572035 . . . . . . . . 140 TYR HB3 . 53200 1 933 . 1 . 1 142 142 TYR C C 13 177.7092921 . . . . . . . . 140 TYR C . 53200 1 934 . 1 . 1 142 142 TYR CA C 13 55.91780772 0.01859211069 . . . . . . . 140 TYR CA . 53200 1 935 . 1 . 1 142 142 TYR CB C 13 39.46931427 0.005122415288 . . . . . . . 140 TYR CB . 53200 1 936 . 1 . 1 142 142 TYR N N 15 119.2831921 0.0434713346 . . . . . . . 140 TYR N . 53200 1 937 . 1 . 1 143 143 THR H H 1 9.617909917 0.003212893111 . . . . . . . 141 THR H . 53200 1 938 . 1 . 1 143 143 THR CA C 13 60.70048018 . . . . . . . . 141 THR CA . 53200 1 939 . 1 . 1 143 143 THR CB C 13 68.44829258 . . . . . . . . 141 THR CB . 53200 1 940 . 1 . 1 143 143 THR N N 15 117.7688463 0.04896737833 . . . . . . . 141 THR N . 53200 1 941 . 1 . 1 148 148 ALA H H 1 8.091349143 0.009636183001 . . . . . . . 146 ALA H . 53200 1 942 . 1 . 1 148 148 ALA HA H 1 4.015761428 0.02867351286 . . . . . . . 146 ALA HA . 53200 1 943 . 1 . 1 148 148 ALA HB1 H 1 1.411618302 . . . . . . . . 146 ALA HB# . 53200 1 944 . 1 . 1 148 148 ALA HB2 H 1 1.411618302 . . . . . . . . 146 ALA HB# . 53200 1 945 . 1 . 1 148 148 ALA HB3 H 1 1.411618302 . . . . . . . . 146 ALA HB# . 53200 1 946 . 1 . 1 148 148 ALA C C 13 179.1754357 . . . . . . . . 146 ALA C . 53200 1 947 . 1 . 1 148 148 ALA CA C 13 55.27361208 0.00139559834 . . . . . . . 146 ALA CA . 53200 1 948 . 1 . 1 148 148 ALA CB C 13 18.25285892 0.1105238511 . . . . . . . 146 ALA CB . 53200 1 949 . 1 . 1 148 148 ALA N N 15 121.6829411 0.08623333295 . . . . . . . 146 ALA N . 53200 1 950 . 1 . 1 149 149 PHE H H 1 8.853894798 0.00527016952 . . . . . . . 147 PHE H . 53200 1 951 . 1 . 1 149 149 PHE HA H 1 3.888075382 0.01132298077 . . . . . . . 147 PHE HA . 53200 1 952 . 1 . 1 149 149 PHE HB2 H 1 3.103669152 . . . . . . . . 147 PHE HB# . 53200 1 953 . 1 . 1 149 149 PHE HB3 H 1 3.103669152 . . . . . . . . 147 PHE HB# . 53200 1 954 . 1 . 1 149 149 PHE C C 13 179.7290512 . . . . . . . . 147 PHE C . 53200 1 955 . 1 . 1 149 149 PHE CA C 13 62.20879526 0.01517836346 . . . . . . . 147 PHE CA . 53200 1 956 . 1 . 1 149 149 PHE CB C 13 39.23274478 0.04232023589 . . . . . . . 147 PHE CB . 53200 1 957 . 1 . 1 149 149 PHE N N 15 120.9907157 0.07785530586 . . . . . . . 147 PHE N . 53200 1 958 . 1 . 1 150 150 MET H H 1 8.728654401 0.007159796199 . . . . . . . 148 MET H . 53200 1 959 . 1 . 1 150 150 MET HA H 1 3.914325972 0.00947008801 . . . . . . . 148 MET HA . 53200 1 960 . 1 . 1 150 150 MET HB2 H 1 2.081562383 0.01737725189 . . . . . . . 148 MET HB# . 53200 1 961 . 1 . 1 150 150 MET HB3 H 1 2.081562383 0.01737725189 . . . . . . . 148 MET HB# . 53200 1 962 . 1 . 1 150 150 MET C C 13 176.2374053 . . . . . . . . 148 MET C . 53200 1 963 . 1 . 1 150 150 MET CA C 13 58.4070428 0.009413172811 . . . . . . . 148 MET CA . 53200 1 964 . 1 . 1 150 150 MET CB C 13 33.59273292 0.1119181916 . . . . . . . 148 MET CB . 53200 1 965 . 1 . 1 150 150 MET N N 15 120.3451771 0.05720326531 . . . . . . . 148 MET N . 53200 1 966 . 1 . 1 151 151 HIS H H 1 7.378045717 0.08874090745 . . . . . . . 149 HIS H . 53200 1 967 . 1 . 1 151 151 HIS HA H 1 4.499024662 0.005589519416 . . . . . . . 149 HIS HA . 53200 1 968 . 1 . 1 151 151 HIS HB2 H 1 3.513025587 0.008485196021 . . . . . . . 149 HIS HB# . 53200 1 969 . 1 . 1 151 151 HIS HB3 H 1 3.513025587 0.008485196021 . . . . . . . 149 HIS HB# . 53200 1 970 . 1 . 1 151 151 HIS C C 13 173.2325326 . . . . . . . . 149 HIS C . 53200 1 971 . 1 . 1 151 151 HIS CA C 13 55.90431447 0.02113055844 . . . . . . . 149 HIS CA . 53200 1 972 . 1 . 1 151 151 HIS CB C 13 28.96254402 0.08823924038 . . . . . . . 149 HIS CB . 53200 1 973 . 1 . 1 151 151 HIS N N 15 115.0333452 0.03665108379 . . . . . . . 149 HIS N . 53200 1 974 . 1 . 1 152 152 GLN H H 1 7.608609976 0.006059615182 . . . . . . . 150 GLN H . 53200 1 975 . 1 . 1 152 152 GLN HA H 1 3.510190945 0.01485891231 . . . . . . . 150 GLN HA . 53200 1 976 . 1 . 1 152 152 GLN HB2 H 1 2.094599356 0.01462826947 . . . . . . . 150 GLN HB# . 53200 1 977 . 1 . 1 152 152 GLN HB3 H 1 2.094599356 0.01462826947 . . . . . . . 150 GLN HB# . 53200 1 978 . 1 . 1 152 152 GLN C C 13 176.9626473 . . . . . . . . 150 GLN C . 53200 1 979 . 1 . 1 152 152 GLN CA C 13 56.77933943 0.01072226107 . . . . . . . 150 GLN CA . 53200 1 980 . 1 . 1 152 152 GLN CB C 13 25.00681403 0.0231297194 . . . . . . . 150 GLN CB . 53200 1 981 . 1 . 1 152 152 GLN N N 15 113.3145848 0.06855874048 . . . . . . . 150 GLN N . 53200 1 982 . 1 . 1 153 153 LYS H H 1 8.41755619 0.0408440907 . . . . . . . 151 LYS H . 53200 1 983 . 1 . 1 153 153 LYS HA H 1 4.76211487 . . . . . . . . 151 LYS HA . 53200 1 984 . 1 . 1 153 153 LYS C C 13 178.2132923 . . . . . . . . 151 LYS C . 53200 1 985 . 1 . 1 153 153 LYS CA C 13 51.19509804 0.03643472145 . . . . . . . 151 LYS CA . 53200 1 986 . 1 . 1 153 153 LYS CB C 13 27.84527823 0.09299822096 . . . . . . . 151 LYS CB . 53200 1 987 . 1 . 1 153 153 LYS N N 15 117.7462941 0.1038945307 . . . . . . . 151 LYS N . 53200 1 988 . 1 . 1 154 154 HIS H H 1 7.225440828 0.004079509142 . . . . . . . 152 HIS H . 53200 1 989 . 1 . 1 154 154 HIS CA C 13 60.43051633 . . . . . . . . 152 HIS CA . 53200 1 990 . 1 . 1 154 154 HIS CB C 13 30.66070956 . . . . . . . . 152 HIS CB . 53200 1 991 . 1 . 1 154 154 HIS N N 15 119.9076596 0.0922612956 . . . . . . . 152 HIS N . 53200 1 992 . 1 . 1 156 156 THR H H 1 7.570011827 0.006466946195 . . . . . . . 154 THR H . 53200 1 993 . 1 . 1 156 156 THR HA H 1 4.307023288 0.00811466726 . . . . . . . 154 THR HA . 53200 1 994 . 1 . 1 156 156 THR HB H 1 4.153197617 0.01939266815 . . . . . . . 154 THR HB . 53200 1 995 . 1 . 1 156 156 THR C C 13 176.0430032 . . . . . . . . 154 THR C . 53200 1 996 . 1 . 1 156 156 THR CA C 13 67.97800908 0 . . . . . . . 154 THR CA . 53200 1 997 . 1 . 1 156 156 THR N N 15 117.7466857 0.02809654684 . . . . . . . 154 THR N . 53200 1 998 . 1 . 1 157 157 VAL H H 1 7.964819614 0.004460915623 . . . . . . . 155 VAL H . 53200 1 999 . 1 . 1 157 157 VAL HA H 1 3.369598401 0.007172933616 . . . . . . . 155 VAL HA . 53200 1 1000 . 1 . 1 157 157 VAL C C 13 177.0955244 . . . . . . . . 155 VAL C . 53200 1 1001 . 1 . 1 157 157 VAL CA C 13 67.8645303 . . . . . . . . 155 VAL CA . 53200 1 1002 . 1 . 1 157 157 VAL CB C 13 32.05195152 . . . . . . . . 155 VAL CB . 53200 1 1003 . 1 . 1 157 157 VAL N N 15 121.7704723 0.06580382119 . . . . . . . 155 VAL N . 53200 1 1004 . 1 . 1 158 158 GLU H H 1 8.231336982 0.0145022453 . . . . . . . 156 GLU H . 53200 1 1005 . 1 . 1 158 158 GLU HA H 1 4.029191687 0.001781174646 . . . . . . . 156 GLU HA . 53200 1 1006 . 1 . 1 158 158 GLU HB2 H 1 2.175293608 0.007198430016 . . . . . . . 156 GLU HB2 . 53200 1 1007 . 1 . 1 158 158 GLU HB3 H 1 2.231630387 . . . . . . . . 156 GLU HB3 . 53200 1 1008 . 1 . 1 158 158 GLU C C 13 179.3109085 . . . . . . . . 156 GLU C . 53200 1 1009 . 1 . 1 158 158 GLU CA C 13 59.53284977 0.5575758034 . . . . . . . 156 GLU CA . 53200 1 1010 . 1 . 1 158 158 GLU CB C 13 29.70014723 0.2301076326 . . . . . . . 156 GLU CB . 53200 1 1011 . 1 . 1 158 158 GLU N N 15 116.4886387 0.02831466269 . . . . . . . 156 GLU N . 53200 1 1012 . 1 . 1 159 159 TRP H H 1 7.981080918 0.005291390053 . . . . . . . 157 TRP H . 53200 1 1013 . 1 . 1 159 159 TRP HA H 1 4.079613272 0.0305142511 . . . . . . . 157 TRP HA . 53200 1 1014 . 1 . 1 159 159 TRP C C 13 179.8023652 . . . . . . . . 157 TRP C . 53200 1 1015 . 1 . 1 159 159 TRP CA C 13 63.7514824 0.004953900778 . . . . . . . 157 TRP CA . 53200 1 1016 . 1 . 1 159 159 TRP CB C 13 29.4140475 0.1004683491 . . . . . . . 157 TRP CB . 53200 1 1017 . 1 . 1 159 159 TRP N N 15 119.7629791 0.01372505752 . . . . . . . 157 TRP N . 53200 1 1018 . 1 . 1 160 160 LEU H H 1 8.466013284 0.004650240096 . . . . . . . 158 LEU H . 53200 1 1019 . 1 . 1 160 160 LEU HA H 1 3.891238112 0.005083880502 . . . . . . . 158 LEU HA . 53200 1 1020 . 1 . 1 160 160 LEU HB2 H 1 2.023681099 0.000413699127 . . . . . . . 158 LEU HB# . 53200 1 1021 . 1 . 1 160 160 LEU HB3 H 1 2.023681099 0.000413699127 . . . . . . . 158 LEU HB# . 53200 1 1022 . 1 . 1 160 160 LEU C C 13 174.4832834 . . . . . . . . 158 LEU C . 53200 1 1023 . 1 . 1 160 160 LEU CA C 13 57.99220074 0.1086848115 . . . . . . . 158 LEU CA . 53200 1 1024 . 1 . 1 160 160 LEU CB C 13 41.57267383 0.08239924176 . . . . . . . 158 LEU CB . 53200 1 1025 . 1 . 1 160 160 LEU N N 15 118.8910492 0.03193752516 . . . . . . . 158 LEU N . 53200 1 1026 . 1 . 1 161 161 GLU H H 1 8.729009845 0.008972293007 . . . . . . . 159 GLU H . 53200 1 1027 . 1 . 1 161 161 GLU HA H 1 4.049481417 0.004872496535 . . . . . . . 159 GLU HA . 53200 1 1028 . 1 . 1 161 161 GLU C C 13 179.0468809 . . . . . . . . 159 GLU C . 53200 1 1029 . 1 . 1 161 161 GLU CA C 13 59.43402525 0.01594762921 . . . . . . . 159 GLU CA . 53200 1 1030 . 1 . 1 161 161 GLU CB C 13 28.81422665 0.02082602274 . . . . . . . 159 GLU CB . 53200 1 1031 . 1 . 1 161 161 GLU N N 15 118.0855823 0.01665377421 . . . . . . . 159 GLU N . 53200 1 1032 . 1 . 1 162 162 SER H H 1 7.821348968 0.003885026856 . . . . . . . 160 SER H . 53200 1 1033 . 1 . 1 162 162 SER HA H 1 4.29811194 0.01163425758 . . . . . . . 160 SER HA . 53200 1 1034 . 1 . 1 162 162 SER HB2 H 1 3.904430945 0.005099514542 . . . . . . . 160 SER HB# . 53200 1 1035 . 1 . 1 162 162 SER HB3 H 1 3.904430945 0.005099514542 . . . . . . . 160 SER HB# . 53200 1 1036 . 1 . 1 162 162 SER C C 13 176.1136405 . . . . . . . . 160 SER C . 53200 1 1037 . 1 . 1 162 162 SER CA C 13 60.8852086 0.007212518526 . . . . . . . 160 SER CA . 53200 1 1038 . 1 . 1 162 162 SER CB C 13 62.96168598 0.00452763016 . . . . . . . 160 SER CB . 53200 1 1039 . 1 . 1 162 162 SER N N 15 116.8067466 0.05689038048 . . . . . . . 160 SER N . 53200 1 1040 . 1 . 1 163 163 ILE H H 1 7.083859109 0.004382696751 . . . . . . . 161 ILE H . 53200 1 1041 . 1 . 1 163 163 ILE HA H 1 3.980431056 0.009154482202 . . . . . . . 161 ILE HA . 53200 1 1042 . 1 . 1 163 163 ILE HB H 1 1.78434939 0.000915916398 . . . . . . . 161 ILE HB . 53200 1 1043 . 1 . 1 163 163 ILE C C 13 177.5960323 . . . . . . . . 161 ILE C . 53200 1 1044 . 1 . 1 163 163 ILE CA C 13 62.02544953 0.02843160668 . . . . . . . 161 ILE CA . 53200 1 1045 . 1 . 1 163 163 ILE CB C 13 36.96379262 0.0236918268 . . . . . . . 161 ILE CB . 53200 1 1046 . 1 . 1 163 163 ILE N N 15 118.1796487 0.07107071967 . . . . . . . 161 ILE N . 53200 1 1047 . 1 . 1 164 164 ALA H H 1 7.581396151 0.005844319777 . . . . . . . 162 ALA H . 53200 1 1048 . 1 . 1 164 164 ALA HA H 1 4.02835305 0.008922291623 . . . . . . . 162 ALA HA . 53200 1 1049 . 1 . 1 164 164 ALA HB1 H 1 1.312897988 0.006768697911 . . . . . . . 162 ALA HB# . 53200 1 1050 . 1 . 1 164 164 ALA HB2 H 1 1.312897988 0.006768697911 . . . . . . . 162 ALA HB# . 53200 1 1051 . 1 . 1 164 164 ALA HB3 H 1 1.312897988 0.006768697911 . . . . . . . 162 ALA HB# . 53200 1 1052 . 1 . 1 164 164 ALA C C 13 178.834983 . . . . . . . . 162 ALA C . 53200 1 1053 . 1 . 1 164 164 ALA CA C 13 54.11158694 0.009566993373 . . . . . . . 162 ALA CA . 53200 1 1054 . 1 . 1 164 164 ALA CB C 13 18.54878339 0.04684196779 . . . . . . . 162 ALA CB . 53200 1 1055 . 1 . 1 164 164 ALA N N 15 124.3270303 0.04953389875 . . . . . . . 162 ALA N . 53200 1 1056 . 1 . 1 165 165 SER H H 1 7.846747297 0.002768349886 . . . . . . . 163 SER H . 53200 1 1057 . 1 . 1 165 165 SER HA H 1 4.282474563 0.0008880877472 . . . . . . . 163 SER HA . 53200 1 1058 . 1 . 1 165 165 SER HB2 H 1 3.861133428 0.003053330026 . . . . . . . 163 SER HB# . 53200 1 1059 . 1 . 1 165 165 SER HB3 H 1 3.861133428 0.003053330026 . . . . . . . 163 SER HB# . 53200 1 1060 . 1 . 1 165 165 SER C C 13 175.3309426 . . . . . . . . 163 SER C . 53200 1 1061 . 1 . 1 165 165 SER CA C 13 59.40413019 0.01124953407 . . . . . . . 163 SER CA . 53200 1 1062 . 1 . 1 165 165 SER CB C 13 63.21791477 0.07240576916 . . . . . . . 163 SER CB . 53200 1 1063 . 1 . 1 165 165 SER N N 15 112.8689831 0.05314738367 . . . . . . . 163 SER N . 53200 1 1064 . 1 . 1 166 166 LEU H H 1 7.747742046 0.005448085099 . . . . . . . 164 LEU H . 53200 1 1065 . 1 . 1 166 166 LEU HA H 1 4.252029252 0.008873347275 . . . . . . . 164 LEU HA . 53200 1 1066 . 1 . 1 166 166 LEU HB2 H 1 1.705871798 0.01079494297 . . . . . . . 164 LEU HB2 . 53200 1 1067 . 1 . 1 166 166 LEU HB3 H 1 1.602274138 0.002289014224 . . . . . . . 164 LEU HB3 . 53200 1 1068 . 1 . 1 166 166 LEU C C 13 178.0884081 . . . . . . . . 164 LEU C . 53200 1 1069 . 1 . 1 166 166 LEU CA C 13 55.98714582 0.01471598908 . . . . . . . 164 LEU CA . 53200 1 1070 . 1 . 1 166 166 LEU CB C 13 42.10768274 0.03412874758 . . . . . . . 164 LEU CB . 53200 1 1071 . 1 . 1 166 166 LEU N N 15 122.4740604 0.04684393955 . . . . . . . 164 LEU N . 53200 1 1072 . 1 . 1 167 167 GLN H H 1 8.062352324 0.001555735872 . . . . . . . 165 GLN H . 53200 1 1073 . 1 . 1 167 167 GLN HA H 1 4.251047158 0.0004878921914 . . . . . . . 165 GLN HA . 53200 1 1074 . 1 . 1 167 167 GLN HB2 H 1 2.135639291 . . . . . . . . 165 GLN HB2 . 53200 1 1075 . 1 . 1 167 167 GLN HB3 H 1 1.949396645 . . . . . . . . 165 GLN HB3 . 53200 1 1076 . 1 . 1 167 167 GLN C C 13 176.6211852 . . . . . . . . 165 GLN C . 53200 1 1077 . 1 . 1 167 167 GLN CA C 13 56.47311917 0.007539391358 . . . . . . . 165 GLN CA . 53200 1 1078 . 1 . 1 167 167 GLN CB C 13 28.92498125 0.08512035843 . . . . . . . 165 GLN CB . 53200 1 1079 . 1 . 1 167 167 GLN N N 15 119.1531327 0.05684472796 . . . . . . . 165 GLN N . 53200 1 1080 . 1 . 1 168 168 SER H H 1 8.131159146 0.0009383734124 . . . . . . . 166 SER H . 53200 1 1081 . 1 . 1 168 168 SER HA H 1 4.380993534 0.009858105147 . . . . . . . 166 SER HA . 53200 1 1082 . 1 . 1 168 168 SER HB2 H 1 3.855923442 . . . . . . . . 166 SER HB# . 53200 1 1083 . 1 . 1 168 168 SER HB3 H 1 3.855923442 . . . . . . . . 166 SER HB# . 53200 1 1084 . 1 . 1 168 168 SER C C 13 174.9849213 . . . . . . . . 166 SER C . 53200 1 1085 . 1 . 1 168 168 SER CA C 13 58.85334515 0.07105062557 . . . . . . . 166 SER CA . 53200 1 1086 . 1 . 1 168 168 SER CB C 13 63.56631478 0.05142362631 . . . . . . . 166 SER CB . 53200 1 1087 . 1 . 1 168 168 SER N N 15 115.7015132 0.0394374736 . . . . . . . 166 SER N . 53200 1 1088 . 1 . 1 169 169 SER H H 1 8.199593831 0.01844536309 . . . . . . . 167 SER H . 53200 1 1089 . 1 . 1 169 169 SER HA H 1 4.43340779 0.002947881541 . . . . . . . 167 SER HA . 53200 1 1090 . 1 . 1 169 169 SER HB2 H 1 3.895470161 . . . . . . . . 167 SER HB# . 53200 1 1091 . 1 . 1 169 169 SER HB3 H 1 3.895470161 . . . . . . . . 167 SER HB# . 53200 1 1092 . 1 . 1 169 169 SER C C 13 174.4219692 . . . . . . . . 167 SER C . 53200 1 1093 . 1 . 1 169 169 SER CA C 13 58.66404391 0.06164738982 . . . . . . . 167 SER CA . 53200 1 1094 . 1 . 1 169 169 SER CB C 13 63.69234482 0.06632511958 . . . . . . . 167 SER CB . 53200 1 1095 . 1 . 1 169 169 SER N N 15 117.3032261 0.04590057894 . . . . . . . 167 SER N . 53200 1 1096 . 1 . 1 170 170 GLN H H 1 8.163365594 0.001330639919 . . . . . . . 168 GLN H . 53200 1 1097 . 1 . 1 170 170 GLN HA H 1 4.302534076 0.001602636561 . . . . . . . 168 GLN HA . 53200 1 1098 . 1 . 1 170 170 GLN HB2 H 1 1.950944267 . . . . . . . . 168 GLN HB2 . 53200 1 1099 . 1 . 1 170 170 GLN HB3 H 1 2.10959319 . . . . . . . . 168 GLN HB3 . 53200 1 1100 . 1 . 1 170 170 GLN C C 13 175.4793494 . . . . . . . . 168 GLN C . 53200 1 1101 . 1 . 1 170 170 GLN CA C 13 55.89131326 0.02710419948 . . . . . . . 168 GLN CA . 53200 1 1102 . 1 . 1 170 170 GLN CB C 13 29.40658758 0.05712350187 . . . . . . . 168 GLN CB . 53200 1 1103 . 1 . 1 170 170 GLN N N 15 121.4876223 0.04916857224 . . . . . . . 168 GLN N . 53200 1 1104 . 1 . 1 171 171 ARG H H 1 8.208462543 0.004026273119 . . . . . . . 169 ARG H . 53200 1 1105 . 1 . 1 171 171 ARG HA H 1 4.349392557 0.005962517626 . . . . . . . 169 ARG HA . 53200 1 1106 . 1 . 1 171 171 ARG HB2 H 1 1.874558815 . . . . . . . . 169 ARG HB2 . 53200 1 1107 . 1 . 1 171 171 ARG HB3 H 1 1.708913743 . . . . . . . . 169 ARG HB3 . 53200 1 1108 . 1 . 1 171 171 ARG C C 13 175.085096 . . . . . . . . 169 ARG C . 53200 1 1109 . 1 . 1 171 171 ARG CA C 13 55.85593619 0.07346691083 . . . . . . . 169 ARG CA . 53200 1 1110 . 1 . 1 171 171 ARG CB C 13 30.69947364 0.02997193332 . . . . . . . 169 ARG CB . 53200 1 1111 . 1 . 1 171 171 ARG N N 15 122.6940072 0.05193088412 . . . . . . . 169 ARG N . 53200 1 1112 . 1 . 1 172 172 LEU H H 1 7.903933424 0.006595136478 . . . . . . . 170 LEU H . 53200 1 1113 . 1 . 1 172 172 LEU HA H 1 4.178229951 0.0007101510074 . . . . . . . 170 LEU HA . 53200 1 1114 . 1 . 1 172 172 LEU CA C 13 56.65769908 . . . . . . . . 170 LEU CA . 53200 1 1115 . 1 . 1 172 172 LEU CB C 13 43.38696831 . . . . . . . . 170 LEU CB . 53200 1 1116 . 1 . 1 172 172 LEU N N 15 129.7174447 0.03633051607 . . . . . . . 170 LEU N . 53200 1 stop_ save_