################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19299 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19299 1 2 '2D 1H-13C HSQC' . . . 19299 1 3 '3D HNCO' . . . 19299 1 4 '3D CBCA(CO)NH' . . . 19299 1 5 '3D HNCACB' . . . 19299 1 6 '3D HBHA(CO)NH' . . . 19299 1 7 '3D HCCH-TOCSY' . . . 19299 1 8 '3D 13C-edited_NOESY' . . . 19299 1 9 '3D 1H-15N NOESY' . . . 19299 1 11 '2D 1H-15N HSQC' . . . 19299 1 12 '2D 1H-13C HSQC' . . . 19299 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 7 7 HIS HB2 H 1 3.120 0.020 . 1 . . . . . 5 HIS HB2 . 19299 1 2 . 1 1 7 7 HIS C C 13 174.545 0.400 . 1 . . . . . 5 HIS C . 19299 1 3 . 1 1 8 8 HIS H H 1 7.719 0.020 . 1 . . . . . 6 HIS H . 19299 1 4 . 1 1 8 8 HIS HA H 1 4.707 0.020 . 1 . . . . . 6 HIS HA . 19299 1 5 . 1 1 8 8 HIS HB2 H 1 3.214 0.020 . 2 . . . . . 6 HIS HB2 . 19299 1 6 . 1 1 8 8 HIS HB3 H 1 2.974 0.020 . 2 . . . . . 6 HIS HB3 . 19299 1 7 . 1 1 8 8 HIS C C 13 174.859 0.400 . 1 . . . . . 6 HIS C . 19299 1 8 . 1 1 8 8 HIS CA C 13 55.565 0.400 . 1 . . . . . 6 HIS CA . 19299 1 9 . 1 1 8 8 HIS CB C 13 32.551 0.400 . 1 . . . . . 6 HIS CB . 19299 1 10 . 1 1 8 8 HIS N N 15 118.404 0.400 . 1 . . . . . 6 HIS N . 19299 1 11 . 1 1 9 9 SER H H 1 8.432 0.020 . 1 . . . . . 7 SER H . 19299 1 12 . 1 1 9 9 SER HA H 1 4.460 0.020 . 1 . . . . . 7 SER HA . 19299 1 13 . 1 1 9 9 SER HB2 H 1 3.748 0.020 . 2 . . . . . 7 SER HB2 . 19299 1 14 . 1 1 9 9 SER HB3 H 1 3.739 0.020 . 2 . . . . . 7 SER HB3 . 19299 1 15 . 1 1 9 9 SER C C 13 174.262 0.400 . 1 . . . . . 7 SER C . 19299 1 16 . 1 1 9 9 SER CA C 13 57.598 0.400 . 1 . . . . . 7 SER CA . 19299 1 17 . 1 1 9 9 SER CB C 13 63.934 0.400 . 1 . . . . . 7 SER CB . 19299 1 18 . 1 1 9 9 SER N N 15 116.093 0.400 . 1 . . . . . 7 SER N . 19299 1 19 . 1 1 10 10 HIS H H 1 9.934 0.020 . 1 . . . . . 8 HIS H . 19299 1 20 . 1 1 10 10 HIS HA H 1 4.634 0.020 . 1 . . . . . 8 HIS HA . 19299 1 21 . 1 1 10 10 HIS HB2 H 1 3.070 0.020 . 2 . . . . . 8 HIS HB2 . 19299 1 22 . 1 1 10 10 HIS HB3 H 1 2.720 0.020 . 2 . . . . . 8 HIS HB3 . 19299 1 23 . 1 1 10 10 HIS C C 13 175.023 0.400 . 1 . . . . . 8 HIS C . 19299 1 24 . 1 1 10 10 HIS CA C 13 56.896 0.400 . 1 . . . . . 8 HIS CA . 19299 1 25 . 1 1 10 10 HIS CB C 13 30.817 0.400 . 1 . . . . . 8 HIS CB . 19299 1 26 . 1 1 10 10 HIS N N 15 124.491 0.400 . 1 . . . . . 8 HIS N . 19299 1 27 . 1 1 11 11 MET H H 1 8.910 0.020 . 1 . . . . . 9 MET H . 19299 1 28 . 1 1 11 11 MET HA H 1 4.815 0.020 . 1 . . . . . 9 MET HA . 19299 1 29 . 1 1 11 11 MET HB2 H 1 1.968 0.020 . 2 . . . . . 9 MET HB2 . 19299 1 30 . 1 1 11 11 MET HB3 H 1 1.971 0.020 . 2 . . . . . 9 MET HB3 . 19299 1 31 . 1 1 11 11 MET HG2 H 1 2.631 0.020 . 2 . . . . . 9 MET HG2 . 19299 1 32 . 1 1 11 11 MET HG3 H 1 2.491 0.020 . 2 . . . . . 9 MET HG3 . 19299 1 33 . 1 1 11 11 MET HE1 H 1 2.047 0.020 . 1 . . . . . 9 MET HE1 . 19299 1 34 . 1 1 11 11 MET HE2 H 1 2.047 0.020 . 1 . . . . . 9 MET HE2 . 19299 1 35 . 1 1 11 11 MET HE3 H 1 2.047 0.020 . 1 . . . . . 9 MET HE3 . 19299 1 36 . 1 1 11 11 MET C C 13 176.061 0.400 . 1 . . . . . 9 MET C . 19299 1 37 . 1 1 11 11 MET CA C 13 53.147 0.400 . 1 . . . . . 9 MET CA . 19299 1 38 . 1 1 11 11 MET CB C 13 35.249 0.400 . 1 . . . . . 9 MET CB . 19299 1 39 . 1 1 11 11 MET CG C 13 32.326 0.400 . 1 . . . . . 9 MET CG . 19299 1 40 . 1 1 11 11 MET CE C 13 17.330 0.400 . 1 . . . . . 9 MET CE . 19299 1 41 . 1 1 11 11 MET N N 15 122.163 0.400 . 1 . . . . . 9 MET N . 19299 1 42 . 1 1 12 12 VAL H H 1 8.326 0.020 . 1 . . . . . 10 VAL H . 19299 1 43 . 1 1 12 12 VAL HA H 1 3.188 0.020 . 1 . . . . . 10 VAL HA . 19299 1 44 . 1 1 12 12 VAL HB H 1 1.880 0.020 . 1 . . . . . 10 VAL HB . 19299 1 45 . 1 1 12 12 VAL HG11 H 1 0.945 0.020 . 2 . . . . . 10 VAL HG11 . 19299 1 46 . 1 1 12 12 VAL HG12 H 1 0.945 0.020 . 2 . . . . . 10 VAL HG12 . 19299 1 47 . 1 1 12 12 VAL HG13 H 1 0.945 0.020 . 2 . . . . . 10 VAL HG13 . 19299 1 48 . 1 1 12 12 VAL HG21 H 1 1.031 0.020 . 2 . . . . . 10 VAL HG21 . 19299 1 49 . 1 1 12 12 VAL HG22 H 1 1.031 0.020 . 2 . . . . . 10 VAL HG22 . 19299 1 50 . 1 1 12 12 VAL HG23 H 1 1.031 0.020 . 2 . . . . . 10 VAL HG23 . 19299 1 51 . 1 1 12 12 VAL C C 13 177.350 0.400 . 1 . . . . . 10 VAL C . 19299 1 52 . 1 1 12 12 VAL CA C 13 65.918 0.400 . 1 . . . . . 10 VAL CA . 19299 1 53 . 1 1 12 12 VAL CB C 13 31.461 0.400 . 1 . . . . . 10 VAL CB . 19299 1 54 . 1 1 12 12 VAL CG1 C 13 21.117 0.400 . 1 . . . . . 10 VAL CG1 . 19299 1 55 . 1 1 12 12 VAL CG2 C 13 22.659 0.400 . 1 . . . . . 10 VAL CG2 . 19299 1 56 . 1 1 12 12 VAL N N 15 120.669 0.400 . 1 . . . . . 10 VAL N . 19299 1 57 . 1 1 13 13 GLY H H 1 8.998 0.020 . 1 . . . . . 11 GLY H . 19299 1 58 . 1 1 13 13 GLY HA2 H 1 4.490 0.020 . 2 . . . . . 11 GLY HA2 . 19299 1 59 . 1 1 13 13 GLY HA3 H 1 3.478 0.020 . 2 . . . . . 11 GLY HA3 . 19299 1 60 . 1 1 13 13 GLY C C 13 174.532 0.400 . 1 . . . . . 11 GLY C . 19299 1 61 . 1 1 13 13 GLY CA C 13 44.822 0.400 . 1 . . . . . 11 GLY CA . 19299 1 62 . 1 1 13 13 GLY N N 15 116.617 0.400 . 1 . . . . . 11 GLY N . 19299 1 63 . 1 1 14 14 ASP H H 1 8.188 0.020 . 1 . . . . . 12 ASP H . 19299 1 64 . 1 1 14 14 ASP HA H 1 4.660 0.020 . 1 . . . . . 12 ASP HA . 19299 1 65 . 1 1 14 14 ASP HB2 H 1 2.832 0.020 . 2 . . . . . 12 ASP HB2 . 19299 1 66 . 1 1 14 14 ASP HB3 H 1 2.935 0.020 . 2 . . . . . 12 ASP HB3 . 19299 1 67 . 1 1 14 14 ASP C C 13 175.154 0.400 . 1 . . . . . 12 ASP C . 19299 1 68 . 1 1 14 14 ASP CA C 13 55.101 0.400 . 1 . . . . . 12 ASP CA . 19299 1 69 . 1 1 14 14 ASP CB C 13 41.230 0.400 . 1 . . . . . 12 ASP CB . 19299 1 70 . 1 1 14 14 ASP N N 15 122.028 0.400 . 1 . . . . . 12 ASP N . 19299 1 71 . 1 1 15 15 THR H H 1 8.525 0.020 . 1 . . . . . 13 THR H . 19299 1 72 . 1 1 15 15 THR HA H 1 5.151 0.020 . 1 . . . . . 13 THR HA . 19299 1 73 . 1 1 15 15 THR HB H 1 3.842 0.020 . 1 . . . . . 13 THR HB . 19299 1 74 . 1 1 15 15 THR HG21 H 1 0.996 0.020 . 1 . . . . . 13 THR HG21 . 19299 1 75 . 1 1 15 15 THR HG22 H 1 0.996 0.020 . 1 . . . . . 13 THR HG22 . 19299 1 76 . 1 1 15 15 THR HG23 H 1 0.996 0.020 . 1 . . . . . 13 THR HG23 . 19299 1 77 . 1 1 15 15 THR C C 13 175.010 0.400 . 1 . . . . . 13 THR C . 19299 1 78 . 1 1 15 15 THR CA C 13 61.250 0.400 . 1 . . . . . 13 THR CA . 19299 1 79 . 1 1 15 15 THR CB C 13 69.772 0.400 . 1 . . . . . 13 THR CB . 19299 1 80 . 1 1 15 15 THR CG2 C 13 22.596 0.400 . 1 . . . . . 13 THR CG2 . 19299 1 81 . 1 1 15 15 THR N N 15 114.450 0.400 . 1 . . . . . 13 THR N . 19299 1 82 . 1 1 16 16 VAL H H 1 9.244 0.020 . 1 . . . . . 14 VAL H . 19299 1 83 . 1 1 16 16 VAL HA H 1 5.055 0.020 . 1 . . . . . 14 VAL HA . 19299 1 84 . 1 1 16 16 VAL HB H 1 2.094 0.020 . 1 . . . . . 14 VAL HB . 19299 1 85 . 1 1 16 16 VAL HG11 H 1 0.350 0.020 . 2 . . . . . 14 VAL HG11 . 19299 1 86 . 1 1 16 16 VAL HG12 H 1 0.350 0.020 . 2 . . . . . 14 VAL HG12 . 19299 1 87 . 1 1 16 16 VAL HG13 H 1 0.350 0.020 . 2 . . . . . 14 VAL HG13 . 19299 1 88 . 1 1 16 16 VAL HG21 H 1 0.412 0.020 . 2 . . . . . 14 VAL HG21 . 19299 1 89 . 1 1 16 16 VAL HG22 H 1 0.412 0.020 . 2 . . . . . 14 VAL HG22 . 19299 1 90 . 1 1 16 16 VAL HG23 H 1 0.412 0.020 . 2 . . . . . 14 VAL HG23 . 19299 1 91 . 1 1 16 16 VAL C C 13 174.135 0.400 . 1 . . . . . 14 VAL C . 19299 1 92 . 1 1 16 16 VAL CA C 13 58.858 0.400 . 1 . . . . . 14 VAL CA . 19299 1 93 . 1 1 16 16 VAL CB C 13 36.362 0.400 . 1 . . . . . 14 VAL CB . 19299 1 94 . 1 1 16 16 VAL CG1 C 13 21.509 0.400 . 1 . . . . . 14 VAL CG1 . 19299 1 95 . 1 1 16 16 VAL CG2 C 13 17.979 0.400 . 1 . . . . . 14 VAL CG2 . 19299 1 96 . 1 1 16 16 VAL N N 15 117.056 0.400 . 1 . . . . . 14 VAL N . 19299 1 97 . 1 1 17 17 TRP H H 1 9.166 0.020 . 1 . . . . . 15 TRP H . 19299 1 98 . 1 1 17 17 TRP HA H 1 5.204 0.020 . 1 . . . . . 15 TRP HA . 19299 1 99 . 1 1 17 17 TRP HB2 H 1 3.286 0.020 . 2 . . . . . 15 TRP HB2 . 19299 1 100 . 1 1 17 17 TRP HB3 H 1 2.726 0.020 . 2 . . . . . 15 TRP HB3 . 19299 1 101 . 1 1 17 17 TRP HD1 H 1 6.690 0.020 . 1 . . . . . 15 TRP HD1 . 19299 1 102 . 1 1 17 17 TRP HE1 H 1 10.188 0.020 . 1 . . . . . 15 TRP HE1 . 19299 1 103 . 1 1 17 17 TRP HE3 H 1 7.233 0.020 . 1 . . . . . 15 TRP HE3 . 19299 1 104 . 1 1 17 17 TRP HZ2 H 1 7.321 0.020 . 1 . . . . . 15 TRP HZ2 . 19299 1 105 . 1 1 17 17 TRP HZ3 H 1 6.842 0.020 . 1 . . . . . 15 TRP HZ3 . 19299 1 106 . 1 1 17 17 TRP HH2 H 1 7.079 0.020 . 1 . . . . . 15 TRP HH2 . 19299 1 107 . 1 1 17 17 TRP C C 13 175.851 0.400 . 1 . . . . . 15 TRP C . 19299 1 108 . 1 1 17 17 TRP CA C 13 56.645 0.400 . 1 . . . . . 15 TRP CA . 19299 1 109 . 1 1 17 17 TRP CB C 13 32.709 0.400 . 1 . . . . . 15 TRP CB . 19299 1 110 . 1 1 17 17 TRP CD1 C 13 125.771 0.400 . 1 . . . . . 15 TRP CD1 . 19299 1 111 . 1 1 17 17 TRP CE3 C 13 120.144 0.400 . 1 . . . . . 15 TRP CE3 . 19299 1 112 . 1 1 17 17 TRP CZ2 C 13 114.380 0.400 . 1 . . . . . 15 TRP CZ2 . 19299 1 113 . 1 1 17 17 TRP CZ3 C 13 122.143 0.400 . 1 . . . . . 15 TRP CZ3 . 19299 1 114 . 1 1 17 17 TRP CH2 C 13 124.707 0.400 . 1 . . . . . 15 TRP CH2 . 19299 1 115 . 1 1 17 17 TRP N N 15 121.326 0.400 . 1 . . . . . 15 TRP N . 19299 1 116 . 1 1 17 17 TRP NE1 N 15 128.957 0.400 . 1 . . . . . 15 TRP NE1 . 19299 1 117 . 1 1 18 18 VAL H H 1 9.570 0.020 . 1 . . . . . 16 VAL H . 19299 1 118 . 1 1 18 18 VAL HA H 1 5.365 0.020 . 1 . . . . . 16 VAL HA . 19299 1 119 . 1 1 18 18 VAL HB H 1 1.962 0.020 . 1 . . . . . 16 VAL HB . 19299 1 120 . 1 1 18 18 VAL HG11 H 1 0.895 0.020 . 2 . . . . . 16 VAL HG11 . 19299 1 121 . 1 1 18 18 VAL HG12 H 1 0.895 0.020 . 2 . . . . . 16 VAL HG12 . 19299 1 122 . 1 1 18 18 VAL HG13 H 1 0.895 0.020 . 2 . . . . . 16 VAL HG13 . 19299 1 123 . 1 1 18 18 VAL HG21 H 1 0.800 0.020 . 2 . . . . . 16 VAL HG21 . 19299 1 124 . 1 1 18 18 VAL HG22 H 1 0.800 0.020 . 2 . . . . . 16 VAL HG22 . 19299 1 125 . 1 1 18 18 VAL HG23 H 1 0.800 0.020 . 2 . . . . . 16 VAL HG23 . 19299 1 126 . 1 1 18 18 VAL C C 13 175.237 0.400 . 1 . . . . . 16 VAL C . 19299 1 127 . 1 1 18 18 VAL CA C 13 60.513 0.400 . 1 . . . . . 16 VAL CA . 19299 1 128 . 1 1 18 18 VAL CB C 13 35.698 0.400 . 1 . . . . . 16 VAL CB . 19299 1 129 . 1 1 18 18 VAL CG1 C 13 21.556 0.400 . 1 . . . . . 16 VAL CG1 . 19299 1 130 . 1 1 18 18 VAL CG2 C 13 21.570 0.400 . 1 . . . . . 16 VAL CG2 . 19299 1 131 . 1 1 18 18 VAL N N 15 118.297 0.400 . 1 . . . . . 16 VAL N . 19299 1 132 . 1 1 19 19 ARG H H 1 8.805 0.020 . 1 . . . . . 17 ARG H . 19299 1 133 . 1 1 19 19 ARG HA H 1 3.903 0.020 . 1 . . . . . 17 ARG HA . 19299 1 134 . 1 1 19 19 ARG HB2 H 1 1.081 0.020 . 2 . . . . . 17 ARG HB2 . 19299 1 135 . 1 1 19 19 ARG HB3 H 1 0.580 0.020 . 2 . . . . . 17 ARG HB3 . 19299 1 136 . 1 1 19 19 ARG HG2 H 1 0.868 0.020 . 2 . . . . . 17 ARG HG2 . 19299 1 137 . 1 1 19 19 ARG HG3 H 1 0.584 0.020 . 2 . . . . . 17 ARG HG3 . 19299 1 138 . 1 1 19 19 ARG HD2 H 1 2.498 0.020 . 2 . . . . . 17 ARG HD2 . 19299 1 139 . 1 1 19 19 ARG HD3 H 1 2.344 0.020 . 2 . . . . . 17 ARG HD3 . 19299 1 140 . 1 1 19 19 ARG C C 13 175.496 0.400 . 1 . . . . . 17 ARG C . 19299 1 141 . 1 1 19 19 ARG CA C 13 55.782 0.400 . 1 . . . . . 17 ARG CA . 19299 1 142 . 1 1 19 19 ARG CB C 13 30.427 0.400 . 1 . . . . . 17 ARG CB . 19299 1 143 . 1 1 19 19 ARG CG C 13 26.380 0.400 . 1 . . . . . 17 ARG CG . 19299 1 144 . 1 1 19 19 ARG CD C 13 43.029 0.400 . 1 . . . . . 17 ARG CD . 19299 1 145 . 1 1 19 19 ARG N N 15 128.940 0.400 . 1 . . . . . 17 ARG N . 19299 1 146 . 1 1 21 21 HIS HA H 1 4.271 0.020 . 1 . . . . . 19 HIS HA . 19299 1 147 . 1 1 21 21 HIS HB2 H 1 3.017 0.020 . 2 . . . . . 19 HIS HB2 . 19299 1 148 . 1 1 21 21 HIS HB3 H 1 1.765 0.020 . 2 . . . . . 19 HIS HB3 . 19299 1 149 . 1 1 21 21 HIS C C 13 173.602 0.400 . 1 . . . . . 19 HIS C . 19299 1 150 . 1 1 21 21 HIS CA C 13 53.082 0.400 . 1 . . . . . 19 HIS CA . 19299 1 151 . 1 1 21 21 HIS CB C 13 28.957 0.400 . 1 . . . . . 19 HIS CB . 19299 1 152 . 1 1 22 22 GLN H H 1 7.421 0.020 . 1 . . . . . 20 GLN H . 19299 1 153 . 1 1 22 22 GLN C C 13 173.859 0.400 . 1 . . . . . 20 GLN C . 19299 1 154 . 1 1 22 22 GLN CA C 13 55.970 0.400 . 1 . . . . . 20 GLN CA . 19299 1 155 . 1 1 22 22 GLN CB C 13 27.849 0.400 . 1 . . . . . 20 GLN CB . 19299 1 156 . 1 1 22 22 GLN N N 15 118.643 0.400 . 1 . . . . . 20 GLN N . 19299 1 157 . 1 1 24 24 LYS HA H 1 4.223 0.020 . 1 . . . . . 22 LYS HA . 19299 1 158 . 1 1 24 24 LYS C C 13 176.277 0.400 . 1 . . . . . 22 LYS C . 19299 1 159 . 1 1 24 24 LYS CA C 13 57.043 0.400 . 1 . . . . . 22 LYS CA . 19299 1 160 . 1 1 24 24 LYS CB C 13 32.167 0.400 . 1 . . . . . 22 LYS CB . 19299 1 161 . 1 1 25 25 ASN H H 1 8.267 0.020 . 1 . . . . . 23 ASN H . 19299 1 162 . 1 1 25 25 ASN HA H 1 4.522 0.020 . 1 . . . . . 23 ASN HA . 19299 1 163 . 1 1 25 25 ASN HB2 H 1 2.796 0.020 . 2 . . . . . 23 ASN HB2 . 19299 1 164 . 1 1 25 25 ASN HB3 H 1 2.748 0.020 . 2 . . . . . 23 ASN HB3 . 19299 1 165 . 1 1 25 25 ASN C C 13 174.726 0.400 . 1 . . . . . 23 ASN C . 19299 1 166 . 1 1 25 25 ASN CA C 13 54.275 0.400 . 1 . . . . . 23 ASN CA . 19299 1 167 . 1 1 25 25 ASN CB C 13 38.452 0.400 . 1 . . . . . 23 ASN CB . 19299 1 168 . 1 1 25 25 ASN N N 15 117.134 0.400 . 1 . . . . . 23 ASN N . 19299 1 169 . 1 1 26 26 LEU H H 1 7.961 0.020 . 1 . . . . . 24 LEU H . 19299 1 170 . 1 1 26 26 LEU HA H 1 4.249 0.020 . 1 . . . . . 24 LEU HA . 19299 1 171 . 1 1 26 26 LEU HB2 H 1 1.637 0.020 . 2 . . . . . 24 LEU HB2 . 19299 1 172 . 1 1 26 26 LEU HB3 H 1 1.576 0.020 . 2 . . . . . 24 LEU HB3 . 19299 1 173 . 1 1 26 26 LEU C C 13 176.612 0.400 . 1 . . . . . 24 LEU C . 19299 1 174 . 1 1 26 26 LEU CA C 13 55.254 0.400 . 1 . . . . . 24 LEU CA . 19299 1 175 . 1 1 26 26 LEU CB C 13 41.989 0.400 . 1 . . . . . 24 LEU CB . 19299 1 176 . 1 1 26 26 LEU CG C 13 26.956 0.400 . 1 . . . . . 24 LEU CG . 19299 1 177 . 1 1 26 26 LEU CD1 C 13 24.766 0.400 . 1 . . . . . 24 LEU CD1 . 19299 1 178 . 1 1 26 26 LEU CD2 C 13 23.357 0.400 . 1 . . . . . 24 LEU CD2 . 19299 1 179 . 1 1 26 26 LEU N N 15 119.909 0.400 . 1 . . . . . 24 LEU N . 19299 1 180 . 1 1 27 27 GLU H H 1 8.161 0.020 . 1 . . . . . 25 GLU H . 19299 1 181 . 1 1 27 27 GLU C C 13 174.595 0.400 . 1 . . . . . 25 GLU C . 19299 1 182 . 1 1 27 27 GLU CA C 13 54.570 0.400 . 1 . . . . . 25 GLU CA . 19299 1 183 . 1 1 27 27 GLU CB C 13 29.557 0.400 . 1 . . . . . 25 GLU CB . 19299 1 184 . 1 1 27 27 GLU N N 15 121.784 0.400 . 1 . . . . . 25 GLU N . 19299 1 185 . 1 1 30 30 TRP HA H 1 4.976 0.020 . 1 . . . . . 28 TRP HA . 19299 1 186 . 1 1 30 30 TRP HB2 H 1 2.915 0.020 . 2 . . . . . 28 TRP HB2 . 19299 1 187 . 1 1 30 30 TRP HB3 H 1 3.108 0.020 . 2 . . . . . 28 TRP HB3 . 19299 1 188 . 1 1 30 30 TRP HD1 H 1 7.137 0.020 . 1 . . . . . 28 TRP HD1 . 19299 1 189 . 1 1 30 30 TRP HE1 H 1 10.079 0.020 . 1 . . . . . 28 TRP HE1 . 19299 1 190 . 1 1 30 30 TRP HE3 H 1 7.273 0.020 . 1 . . . . . 28 TRP HE3 . 19299 1 191 . 1 1 30 30 TRP HZ2 H 1 7.458 0.020 . 1 . . . . . 28 TRP HZ2 . 19299 1 192 . 1 1 30 30 TRP HZ3 H 1 6.987 0.020 . 1 . . . . . 28 TRP HZ3 . 19299 1 193 . 1 1 30 30 TRP HH2 H 1 7.073 0.020 . 1 . . . . . 28 TRP HH2 . 19299 1 194 . 1 1 30 30 TRP C C 13 175.753 0.400 . 1 . . . . . 28 TRP C . 19299 1 195 . 1 1 30 30 TRP CA C 13 56.813 0.400 . 1 . . . . . 28 TRP CA . 19299 1 196 . 1 1 30 30 TRP CB C 13 31.384 0.400 . 1 . . . . . 28 TRP CB . 19299 1 197 . 1 1 30 30 TRP CD1 C 13 127.635 0.400 . 1 . . . . . 28 TRP CD1 . 19299 1 198 . 1 1 30 30 TRP CE3 C 13 119.822 0.400 . 1 . . . . . 28 TRP CE3 . 19299 1 199 . 1 1 30 30 TRP CZ2 C 13 114.636 0.400 . 1 . . . . . 28 TRP CZ2 . 19299 1 200 . 1 1 30 30 TRP CZ3 C 13 123.197 0.400 . 1 . . . . . 28 TRP CZ3 . 19299 1 201 . 1 1 30 30 TRP CH2 C 13 124.138 0.400 . 1 . . . . . 28 TRP CH2 . 19299 1 202 . 1 1 30 30 TRP NE1 N 15 128.842 0.400 . 1 . . . . . 28 TRP NE1 . 19299 1 203 . 1 1 31 31 LYS H H 1 9.740 0.020 . 1 . . . . . 29 LYS H . 19299 1 204 . 1 1 31 31 LYS HA H 1 5.047 0.020 . 1 . . . . . 29 LYS HA . 19299 1 205 . 1 1 31 31 LYS HB2 H 1 1.995 0.020 . 2 . . . . . 29 LYS HB2 . 19299 1 206 . 1 1 31 31 LYS HB3 H 1 2.082 0.020 . 2 . . . . . 29 LYS HB3 . 19299 1 207 . 1 1 31 31 LYS C C 13 174.504 0.400 . 1 . . . . . 29 LYS C . 19299 1 208 . 1 1 31 31 LYS CA C 13 54.594 0.400 . 1 . . . . . 29 LYS CA . 19299 1 209 . 1 1 31 31 LYS CB C 13 36.119 0.400 . 1 . . . . . 29 LYS CB . 19299 1 210 . 1 1 31 31 LYS N N 15 123.154 0.400 . 1 . . . . . 29 LYS N . 19299 1 211 . 1 1 32 32 GLY H H 1 8.048 0.020 . 1 . . . . . 30 GLY H . 19299 1 212 . 1 1 32 32 GLY HA2 H 1 3.544 0.020 . 2 . . . . . 30 GLY HA2 . 19299 1 213 . 1 1 32 32 GLY HA3 H 1 2.293 0.020 . 2 . . . . . 30 GLY HA3 . 19299 1 214 . 1 1 32 32 GLY CA C 13 43.352 0.400 . 1 . . . . . 30 GLY CA . 19299 1 215 . 1 1 32 32 GLY N N 15 109.316 0.400 . 1 . . . . . 30 GLY N . 19299 1 216 . 1 1 33 33 PRO HA H 1 3.466 0.020 . 1 . . . . . 31 PRO HA . 19299 1 217 . 1 1 33 33 PRO HB2 H 1 1.411 0.020 . 2 . . . . . 31 PRO HB2 . 19299 1 218 . 1 1 33 33 PRO HB3 H 1 1.127 0.020 . 2 . . . . . 31 PRO HB3 . 19299 1 219 . 1 1 33 33 PRO HG2 H 1 1.450 0.020 . 2 . . . . . 31 PRO HG2 . 19299 1 220 . 1 1 33 33 PRO HG3 H 1 1.237 0.020 . 2 . . . . . 31 PRO HG3 . 19299 1 221 . 1 1 33 33 PRO HD2 H 1 3.149 0.020 . 2 . . . . . 31 PRO HD2 . 19299 1 222 . 1 1 33 33 PRO HD3 H 1 3.026 0.020 . 2 . . . . . 31 PRO HD3 . 19299 1 223 . 1 1 33 33 PRO C C 13 174.912 0.400 . 1 . . . . . 31 PRO C . 19299 1 224 . 1 1 33 33 PRO CA C 13 62.064 0.400 . 1 . . . . . 31 PRO CA . 19299 1 225 . 1 1 33 33 PRO CB C 13 34.550 0.400 . 1 . . . . . 31 PRO CB . 19299 1 226 . 1 1 33 33 PRO CG C 13 24.209 0.400 . 1 . . . . . 31 PRO CG . 19299 1 227 . 1 1 33 33 PRO CD C 13 49.723 0.400 . 1 . . . . . 31 PRO CD . 19299 1 228 . 1 1 34 34 TYR H H 1 9.099 0.020 . 1 . . . . . 32 TYR H . 19299 1 229 . 1 1 34 34 TYR HA H 1 4.951 0.020 . 1 . . . . . 32 TYR HA . 19299 1 230 . 1 1 34 34 TYR HB2 H 1 2.992 0.020 . 2 . . . . . 32 TYR HB2 . 19299 1 231 . 1 1 34 34 TYR HB3 H 1 2.240 0.020 . 2 . . . . . 32 TYR HB3 . 19299 1 232 . 1 1 34 34 TYR HD1 H 1 7.128 0.020 . 1 . . . . . 32 TYR HD1 . 19299 1 233 . 1 1 34 34 TYR HD2 H 1 7.128 0.020 . 1 . . . . . 32 TYR HD2 . 19299 1 234 . 1 1 34 34 TYR HE1 H 1 6.555 0.020 . 1 . . . . . 32 TYR HE1 . 19299 1 235 . 1 1 34 34 TYR HE2 H 1 6.555 0.020 . 1 . . . . . 32 TYR HE2 . 19299 1 236 . 1 1 34 34 TYR C C 13 174.863 0.400 . 1 . . . . . 32 TYR C . 19299 1 237 . 1 1 34 34 TYR CA C 13 56.657 0.400 . 1 . . . . . 32 TYR CA . 19299 1 238 . 1 1 34 34 TYR CB C 13 43.240 0.400 . 1 . . . . . 32 TYR CB . 19299 1 239 . 1 1 34 34 TYR CD1 C 13 133.677 0.400 . 1 . . . . . 32 TYR CD1 . 19299 1 240 . 1 1 34 34 TYR CD2 C 13 133.677 0.400 . 1 . . . . . 32 TYR CD2 . 19299 1 241 . 1 1 34 34 TYR CE1 C 13 118.031 0.400 . 1 . . . . . 32 TYR CE1 . 19299 1 242 . 1 1 34 34 TYR CE2 C 13 118.031 0.400 . 1 . . . . . 32 TYR CE2 . 19299 1 243 . 1 1 34 34 TYR N N 15 119.021 0.400 . 1 . . . . . 32 TYR N . 19299 1 244 . 1 1 35 35 THR H H 1 9.139 0.020 . 1 . . . . . 33 THR H . 19299 1 245 . 1 1 35 35 THR HA H 1 4.859 0.020 . 1 . . . . . 33 THR HA . 19299 1 246 . 1 1 35 35 THR HB H 1 3.845 0.020 . 1 . . . . . 33 THR HB . 19299 1 247 . 1 1 35 35 THR HG21 H 1 1.094 0.020 . 1 . . . . . 33 THR HG21 . 19299 1 248 . 1 1 35 35 THR HG22 H 1 1.094 0.020 . 1 . . . . . 33 THR HG22 . 19299 1 249 . 1 1 35 35 THR HG23 H 1 1.094 0.020 . 1 . . . . . 33 THR HG23 . 19299 1 250 . 1 1 35 35 THR C C 13 174.637 0.400 . 1 . . . . . 33 THR C . 19299 1 251 . 1 1 35 35 THR CA C 13 62.479 0.400 . 1 . . . . . 33 THR CA . 19299 1 252 . 1 1 35 35 THR CB C 13 69.925 0.400 . 1 . . . . . 33 THR CB . 19299 1 253 . 1 1 35 35 THR CG2 C 13 21.596 0.400 . 1 . . . . . 33 THR CG2 . 19299 1 254 . 1 1 35 35 THR N N 15 117.959 0.400 . 1 . . . . . 33 THR N . 19299 1 255 . 1 1 36 36 VAL H H 1 8.991 0.020 . 1 . . . . . 34 VAL H . 19299 1 256 . 1 1 36 36 VAL HA H 1 3.717 0.020 . 1 . . . . . 34 VAL HA . 19299 1 257 . 1 1 36 36 VAL HB H 1 2.296 0.020 . 1 . . . . . 34 VAL HB . 19299 1 258 . 1 1 36 36 VAL HG11 H 1 0.725 0.020 . 2 . . . . . 34 VAL HG11 . 19299 1 259 . 1 1 36 36 VAL HG12 H 1 0.725 0.020 . 2 . . . . . 34 VAL HG12 . 19299 1 260 . 1 1 36 36 VAL HG13 H 1 0.725 0.020 . 2 . . . . . 34 VAL HG13 . 19299 1 261 . 1 1 36 36 VAL HG21 H 1 0.816 0.020 . 2 . . . . . 34 VAL HG21 . 19299 1 262 . 1 1 36 36 VAL HG22 H 1 0.816 0.020 . 2 . . . . . 34 VAL HG22 . 19299 1 263 . 1 1 36 36 VAL HG23 H 1 0.816 0.020 . 2 . . . . . 34 VAL HG23 . 19299 1 264 . 1 1 36 36 VAL C C 13 175.991 0.400 . 1 . . . . . 34 VAL C . 19299 1 265 . 1 1 36 36 VAL CA C 13 64.501 0.400 . 1 . . . . . 34 VAL CA . 19299 1 266 . 1 1 36 36 VAL CB C 13 32.102 0.400 . 1 . . . . . 34 VAL CB . 19299 1 267 . 1 1 36 36 VAL CG1 C 13 23.215 0.400 . 1 . . . . . 34 VAL CG1 . 19299 1 268 . 1 1 36 36 VAL CG2 C 13 24.161 0.400 . 1 . . . . . 34 VAL CG2 . 19299 1 269 . 1 1 36 36 VAL N N 15 125.911 0.400 . 1 . . . . . 34 VAL N . 19299 1 270 . 1 1 37 37 LEU H H 1 9.552 0.020 . 1 . . . . . 35 LEU H . 19299 1 271 . 1 1 37 37 LEU HA H 1 4.506 0.020 . 1 . . . . . 35 LEU HA . 19299 1 272 . 1 1 37 37 LEU HB2 H 1 1.370 0.020 . 2 . . . . . 35 LEU HB2 . 19299 1 273 . 1 1 37 37 LEU HB3 H 1 1.318 0.020 . 2 . . . . . 35 LEU HB3 . 19299 1 274 . 1 1 37 37 LEU HG H 1 1.504 0.020 . 1 . . . . . 35 LEU HG . 19299 1 275 . 1 1 37 37 LEU HD11 H 1 0.709 0.020 . 2 . . . . . 35 LEU HD11 . 19299 1 276 . 1 1 37 37 LEU HD12 H 1 0.709 0.020 . 2 . . . . . 35 LEU HD12 . 19299 1 277 . 1 1 37 37 LEU HD13 H 1 0.709 0.020 . 2 . . . . . 35 LEU HD13 . 19299 1 278 . 1 1 37 37 LEU HD21 H 1 0.749 0.020 . 2 . . . . . 35 LEU HD21 . 19299 1 279 . 1 1 37 37 LEU HD22 H 1 0.749 0.020 . 2 . . . . . 35 LEU HD22 . 19299 1 280 . 1 1 37 37 LEU HD23 H 1 0.749 0.020 . 2 . . . . . 35 LEU HD23 . 19299 1 281 . 1 1 37 37 LEU C C 13 175.643 0.400 . 1 . . . . . 35 LEU C . 19299 1 282 . 1 1 37 37 LEU CA C 13 55.951 0.400 . 1 . . . . . 35 LEU CA . 19299 1 283 . 1 1 37 37 LEU CB C 13 44.809 0.400 . 1 . . . . . 35 LEU CB . 19299 1 284 . 1 1 37 37 LEU CG C 13 26.704 0.400 . 1 . . . . . 35 LEU CG . 19299 1 285 . 1 1 37 37 LEU CD1 C 13 25.383 0.400 . 1 . . . . . 35 LEU CD1 . 19299 1 286 . 1 1 37 37 LEU CD2 C 13 22.615 0.400 . 1 . . . . . 35 LEU CD2 . 19299 1 287 . 1 1 37 37 LEU N N 15 129.958 0.400 . 1 . . . . . 35 LEU N . 19299 1 288 . 1 1 38 38 LEU H H 1 7.562 0.020 . 1 . . . . . 36 LEU H . 19299 1 289 . 1 1 38 38 LEU HA H 1 4.746 0.020 . 1 . . . . . 36 LEU HA . 19299 1 290 . 1 1 38 38 LEU HB2 H 1 1.611 0.020 . 2 . . . . . 36 LEU HB2 . 19299 1 291 . 1 1 38 38 LEU HB3 H 1 1.454 0.020 . 2 . . . . . 36 LEU HB3 . 19299 1 292 . 1 1 38 38 LEU HG H 1 1.519 0.020 . 1 . . . . . 36 LEU HG . 19299 1 293 . 1 1 38 38 LEU HD11 H 1 0.879 0.020 . 2 . . . . . 36 LEU HD11 . 19299 1 294 . 1 1 38 38 LEU HD12 H 1 0.879 0.020 . 2 . . . . . 36 LEU HD12 . 19299 1 295 . 1 1 38 38 LEU HD13 H 1 0.879 0.020 . 2 . . . . . 36 LEU HD13 . 19299 1 296 . 1 1 38 38 LEU HD21 H 1 1.009 0.020 . 2 . . . . . 36 LEU HD21 . 19299 1 297 . 1 1 38 38 LEU HD22 H 1 1.009 0.020 . 2 . . . . . 36 LEU HD22 . 19299 1 298 . 1 1 38 38 LEU HD23 H 1 1.009 0.020 . 2 . . . . . 36 LEU HD23 . 19299 1 299 . 1 1 38 38 LEU C C 13 175.616 0.400 . 1 . . . . . 36 LEU C . 19299 1 300 . 1 1 38 38 LEU CA C 13 54.495 0.400 . 1 . . . . . 36 LEU CA . 19299 1 301 . 1 1 38 38 LEU CB C 13 47.953 0.400 . 1 . . . . . 36 LEU CB . 19299 1 302 . 1 1 38 38 LEU CG C 13 27.214 0.400 . 1 . . . . . 36 LEU CG . 19299 1 303 . 1 1 38 38 LEU CD1 C 13 25.332 0.400 . 1 . . . . . 36 LEU CD1 . 19299 1 304 . 1 1 38 38 LEU CD2 C 13 24.612 0.400 . 1 . . . . . 36 LEU CD2 . 19299 1 305 . 1 1 38 38 LEU N N 15 116.778 0.400 . 1 . . . . . 36 LEU N . 19299 1 306 . 1 1 39 39 THR H H 1 8.676 0.020 . 1 . . . . . 37 THR H . 19299 1 307 . 1 1 39 39 THR HA H 1 5.329 0.020 . 1 . . . . . 37 THR HA . 19299 1 308 . 1 1 39 39 THR HB H 1 4.492 0.020 . 1 . . . . . 37 THR HB . 19299 1 309 . 1 1 39 39 THR HG21 H 1 1.194 0.020 . 1 . . . . . 37 THR HG21 . 19299 1 310 . 1 1 39 39 THR HG22 H 1 1.194 0.020 . 1 . . . . . 37 THR HG22 . 19299 1 311 . 1 1 39 39 THR HG23 H 1 1.194 0.020 . 1 . . . . . 37 THR HG23 . 19299 1 312 . 1 1 39 39 THR C C 13 173.156 0.400 . 1 . . . . . 37 THR C . 19299 1 313 . 1 1 39 39 THR CA C 13 60.792 0.400 . 1 . . . . . 37 THR CA . 19299 1 314 . 1 1 39 39 THR CB C 13 72.376 0.400 . 1 . . . . . 37 THR CB . 19299 1 315 . 1 1 39 39 THR CG2 C 13 22.046 0.400 . 1 . . . . . 37 THR CG2 . 19299 1 316 . 1 1 39 39 THR N N 15 110.432 0.400 . 1 . . . . . 37 THR N . 19299 1 317 . 1 1 40 40 THR H H 1 8.956 0.020 . 1 . . . . . 38 THR H . 19299 1 318 . 1 1 40 40 THR HA H 1 4.880 0.020 . 1 . . . . . 38 THR HA . 19299 1 319 . 1 1 40 40 THR HB H 1 4.589 0.020 . 1 . . . . . 38 THR HB . 19299 1 320 . 1 1 40 40 THR HG21 H 1 0.889 0.020 . 1 . . . . . 38 THR HG21 . 19299 1 321 . 1 1 40 40 THR HG22 H 1 0.889 0.020 . 1 . . . . . 38 THR HG22 . 19299 1 322 . 1 1 40 40 THR HG23 H 1 0.889 0.020 . 1 . . . . . 38 THR HG23 . 19299 1 323 . 1 1 40 40 THR C C 13 173.385 0.400 . 1 . . . . . 38 THR C . 19299 1 324 . 1 1 40 40 THR CA C 13 60.081 0.400 . 1 . . . . . 38 THR CA . 19299 1 325 . 1 1 40 40 THR CB C 13 68.967 0.400 . 1 . . . . . 38 THR CB . 19299 1 326 . 1 1 40 40 THR CG2 C 13 22.175 0.400 . 1 . . . . . 38 THR CG2 . 19299 1 327 . 1 1 40 40 THR N N 15 115.018 0.400 . 1 . . . . . 38 THR N . 19299 1 328 . 1 1 41 41 PRO HA H 1 4.131 0.020 . 1 . . . . . 39 PRO HA . 19299 1 329 . 1 1 41 41 PRO HB2 H 1 2.258 0.020 . 1 . . . . . 39 PRO HB2 . 19299 1 330 . 1 1 41 41 PRO C C 13 176.856 0.400 . 1 . . . . . 39 PRO C . 19299 1 331 . 1 1 41 41 PRO CA C 13 66.149 0.400 . 1 . . . . . 39 PRO CA . 19299 1 332 . 1 1 41 41 PRO CB C 13 32.233 0.400 . 1 . . . . . 39 PRO CB . 19299 1 333 . 1 1 42 42 THR H H 1 7.491 0.020 . 1 . . . . . 40 THR H . 19299 1 334 . 1 1 42 42 THR HA H 1 4.617 0.020 . 1 . . . . . 40 THR HA . 19299 1 335 . 1 1 42 42 THR HB H 1 4.286 0.020 . 1 . . . . . 40 THR HB . 19299 1 336 . 1 1 42 42 THR HG21 H 1 1.028 0.020 . 1 . . . . . 40 THR HG21 . 19299 1 337 . 1 1 42 42 THR HG22 H 1 1.028 0.020 . 1 . . . . . 40 THR HG22 . 19299 1 338 . 1 1 42 42 THR HG23 H 1 1.028 0.020 . 1 . . . . . 40 THR HG23 . 19299 1 339 . 1 1 42 42 THR C C 13 174.315 0.400 . 1 . . . . . 40 THR C . 19299 1 340 . 1 1 42 42 THR CA C 13 61.005 0.400 . 1 . . . . . 40 THR CA . 19299 1 341 . 1 1 42 42 THR CB C 13 70.903 0.400 . 1 . . . . . 40 THR CB . 19299 1 342 . 1 1 42 42 THR CG2 C 13 21.846 0.400 . 1 . . . . . 40 THR CG2 . 19299 1 343 . 1 1 42 42 THR N N 15 129.925 0.400 . 1 . . . . . 40 THR N . 19299 1 344 . 1 1 43 43 ALA H H 1 7.931 0.020 . 1 . . . . . 41 ALA H . 19299 1 345 . 1 1 43 43 ALA HA H 1 5.126 0.020 . 1 . . . . . 41 ALA HA . 19299 1 346 . 1 1 43 43 ALA HB1 H 1 1.256 0.020 . 1 . . . . . 41 ALA HB1 . 19299 1 347 . 1 1 43 43 ALA HB2 H 1 1.256 0.020 . 1 . . . . . 41 ALA HB2 . 19299 1 348 . 1 1 43 43 ALA HB3 H 1 1.256 0.020 . 1 . . . . . 41 ALA HB3 . 19299 1 349 . 1 1 43 43 ALA C C 13 174.744 0.400 . 1 . . . . . 41 ALA C . 19299 1 350 . 1 1 43 43 ALA CA C 13 51.778 0.400 . 1 . . . . . 41 ALA CA . 19299 1 351 . 1 1 43 43 ALA CB C 13 23.787 0.400 . 1 . . . . . 41 ALA CB . 19299 1 352 . 1 1 43 43 ALA N N 15 125.989 0.400 . 1 . . . . . 41 ALA N . 19299 1 353 . 1 1 44 44 LEU H H 1 9.335 0.020 . 1 . . . . . 42 LEU H . 19299 1 354 . 1 1 44 44 LEU HA H 1 5.244 0.020 . 1 . . . . . 42 LEU HA . 19299 1 355 . 1 1 44 44 LEU HB2 H 1 1.789 0.020 . 2 . . . . . 42 LEU HB2 . 19299 1 356 . 1 1 44 44 LEU HB3 H 1 1.639 0.020 . 2 . . . . . 42 LEU HB3 . 19299 1 357 . 1 1 44 44 LEU HG H 1 1.530 0.020 . 1 . . . . . 42 LEU HG . 19299 1 358 . 1 1 44 44 LEU HD11 H 1 0.553 0.020 . 2 . . . . . 42 LEU HD11 . 19299 1 359 . 1 1 44 44 LEU HD12 H 1 0.553 0.020 . 2 . . . . . 42 LEU HD12 . 19299 1 360 . 1 1 44 44 LEU HD13 H 1 0.553 0.020 . 2 . . . . . 42 LEU HD13 . 19299 1 361 . 1 1 44 44 LEU HD21 H 1 0.542 0.020 . 2 . . . . . 42 LEU HD21 . 19299 1 362 . 1 1 44 44 LEU HD22 H 1 0.542 0.020 . 2 . . . . . 42 LEU HD22 . 19299 1 363 . 1 1 44 44 LEU HD23 H 1 0.542 0.020 . 2 . . . . . 42 LEU HD23 . 19299 1 364 . 1 1 44 44 LEU C C 13 173.985 0.400 . 1 . . . . . 42 LEU C . 19299 1 365 . 1 1 44 44 LEU CA C 13 54.991 0.400 . 1 . . . . . 42 LEU CA . 19299 1 366 . 1 1 44 44 LEU CB C 13 45.550 0.400 . 1 . . . . . 42 LEU CB . 19299 1 367 . 1 1 44 44 LEU CG C 13 27.192 0.400 . 1 . . . . . 42 LEU CG . 19299 1 368 . 1 1 44 44 LEU CD1 C 13 25.696 0.400 . 1 . . . . . 42 LEU CD1 . 19299 1 369 . 1 1 44 44 LEU CD2 C 13 27.189 0.400 . 1 . . . . . 42 LEU CD2 . 19299 1 370 . 1 1 44 44 LEU N N 15 116.739 0.400 . 1 . . . . . 42 LEU N . 19299 1 371 . 1 1 45 45 LYS H H 1 8.448 0.020 . 1 . . . . . 43 LYS H . 19299 1 372 . 1 1 45 45 LYS HA H 1 4.641 0.020 . 1 . . . . . 43 LYS HA . 19299 1 373 . 1 1 45 45 LYS HB2 H 1 1.200 0.020 . 2 . . . . . 43 LYS HB2 . 19299 1 374 . 1 1 45 45 LYS HB3 H 1 0.272 0.020 . 2 . . . . . 43 LYS HB3 . 19299 1 375 . 1 1 45 45 LYS HG2 H 1 0.346 0.020 . 2 . . . . . 43 LYS HG2 . 19299 1 376 . 1 1 45 45 LYS HG3 H 1 0.568 0.020 . 2 . . . . . 43 LYS HG3 . 19299 1 377 . 1 1 45 45 LYS HD2 H 1 0.764 0.020 . 1 . . . . . 43 LYS HD2 . 19299 1 378 . 1 1 45 45 LYS HD3 H 1 0.764 0.020 . 1 . . . . . 43 LYS HD3 . 19299 1 379 . 1 1 45 45 LYS HE2 H 1 2.108 0.020 . 1 . . . . . 43 LYS HE2 . 19299 1 380 . 1 1 45 45 LYS HE3 H 1 2.108 0.020 . 1 . . . . . 43 LYS HE3 . 19299 1 381 . 1 1 45 45 LYS C C 13 176.581 0.400 . 1 . . . . . 43 LYS C . 19299 1 382 . 1 1 45 45 LYS CA C 13 54.389 0.400 . 1 . . . . . 43 LYS CA . 19299 1 383 . 1 1 45 45 LYS CB C 13 35.302 0.400 . 1 . . . . . 43 LYS CB . 19299 1 384 . 1 1 45 45 LYS CG C 13 24.682 0.400 . 1 . . . . . 43 LYS CG . 19299 1 385 . 1 1 45 45 LYS CD C 13 28.904 0.400 . 1 . . . . . 43 LYS CD . 19299 1 386 . 1 1 45 45 LYS CE C 13 41.393 0.400 . 1 . . . . . 43 LYS CE . 19299 1 387 . 1 1 45 45 LYS N N 15 120.306 0.400 . 1 . . . . . 43 LYS N . 19299 1 388 . 1 1 46 46 VAL H H 1 9.770 0.020 . 1 . . . . . 44 VAL H . 19299 1 389 . 1 1 46 46 VAL HA H 1 5.052 0.020 . 1 . . . . . 44 VAL HA . 19299 1 390 . 1 1 46 46 VAL HB H 1 1.943 0.020 . 1 . . . . . 44 VAL HB . 19299 1 391 . 1 1 46 46 VAL HG11 H 1 0.396 0.020 . 2 . . . . . 44 VAL HG11 . 19299 1 392 . 1 1 46 46 VAL HG12 H 1 0.396 0.020 . 2 . . . . . 44 VAL HG12 . 19299 1 393 . 1 1 46 46 VAL HG13 H 1 0.396 0.020 . 2 . . . . . 44 VAL HG13 . 19299 1 394 . 1 1 46 46 VAL HG21 H 1 0.279 0.020 . 2 . . . . . 44 VAL HG21 . 19299 1 395 . 1 1 46 46 VAL HG22 H 1 0.279 0.020 . 2 . . . . . 44 VAL HG22 . 19299 1 396 . 1 1 46 46 VAL HG23 H 1 0.279 0.020 . 2 . . . . . 44 VAL HG23 . 19299 1 397 . 1 1 46 46 VAL C C 13 175.349 0.400 . 1 . . . . . 44 VAL C . 19299 1 398 . 1 1 46 46 VAL CA C 13 57.883 0.400 . 1 . . . . . 44 VAL CA . 19299 1 399 . 1 1 46 46 VAL CB C 13 34.585 0.400 . 1 . . . . . 44 VAL CB . 19299 1 400 . 1 1 46 46 VAL CG1 C 13 20.850 0.400 . 1 . . . . . 44 VAL CG1 . 19299 1 401 . 1 1 46 46 VAL CG2 C 13 19.067 0.400 . 1 . . . . . 44 VAL CG2 . 19299 1 402 . 1 1 46 46 VAL N N 15 118.479 0.400 . 1 . . . . . 44 VAL N . 19299 1 403 . 1 1 47 47 ASP H H 1 8.512 0.020 . 1 . . . . . 45 ASP H . 19299 1 404 . 1 1 47 47 ASP HA H 1 4.305 0.020 . 1 . . . . . 45 ASP HA . 19299 1 405 . 1 1 47 47 ASP HB2 H 1 2.469 0.020 . 2 . . . . . 45 ASP HB2 . 19299 1 406 . 1 1 47 47 ASP HB3 H 1 2.930 0.020 . 2 . . . . . 45 ASP HB3 . 19299 1 407 . 1 1 47 47 ASP C C 13 176.958 0.400 . 1 . . . . . 45 ASP C . 19299 1 408 . 1 1 47 47 ASP CA C 13 55.504 0.400 . 1 . . . . . 45 ASP CA . 19299 1 409 . 1 1 47 47 ASP CB C 13 40.602 0.400 . 1 . . . . . 45 ASP CB . 19299 1 410 . 1 1 47 47 ASP N N 15 120.819 0.400 . 1 . . . . . 45 ASP N . 19299 1 411 . 1 1 48 48 GLY H H 1 8.213 0.020 . 1 . . . . . 46 GLY H . 19299 1 412 . 1 1 48 48 GLY HA2 H 1 4.275 0.020 . 2 . . . . . 46 GLY HA2 . 19299 1 413 . 1 1 48 48 GLY HA3 H 1 3.636 0.020 . 2 . . . . . 46 GLY HA3 . 19299 1 414 . 1 1 48 48 GLY C C 13 173.626 0.400 . 1 . . . . . 46 GLY C . 19299 1 415 . 1 1 48 48 GLY CA C 13 45.122 0.400 . 1 . . . . . 46 GLY CA . 19299 1 416 . 1 1 48 48 GLY N N 15 111.680 0.400 . 1 . . . . . 46 GLY N . 19299 1 417 . 1 1 49 49 ILE H H 1 6.978 0.020 . 1 . . . . . 47 ILE H . 19299 1 418 . 1 1 49 49 ILE HB H 1 1.490 0.020 . 1 . . . . . 47 ILE HB . 19299 1 419 . 1 1 49 49 ILE HG12 H 1 0.829 0.020 . 2 . . . . . 47 ILE HG12 . 19299 1 420 . 1 1 49 49 ILE HG13 H 1 0.639 0.020 . 2 . . . . . 47 ILE HG13 . 19299 1 421 . 1 1 49 49 ILE HG21 H 1 0.818 0.020 . 1 . . . . . 47 ILE HG21 . 19299 1 422 . 1 1 49 49 ILE HG22 H 1 0.818 0.020 . 1 . . . . . 47 ILE HG22 . 19299 1 423 . 1 1 49 49 ILE HG23 H 1 0.818 0.020 . 1 . . . . . 47 ILE HG23 . 19299 1 424 . 1 1 49 49 ILE HD11 H 1 0.248 0.020 . 1 . . . . . 47 ILE HD11 . 19299 1 425 . 1 1 49 49 ILE HD12 H 1 0.248 0.020 . 1 . . . . . 47 ILE HD12 . 19299 1 426 . 1 1 49 49 ILE HD13 H 1 0.248 0.020 . 1 . . . . . 47 ILE HD13 . 19299 1 427 . 1 1 49 49 ILE C C 13 175.902 0.400 . 1 . . . . . 47 ILE C . 19299 1 428 . 1 1 49 49 ILE CA C 13 60.846 0.400 . 1 . . . . . 47 ILE CA . 19299 1 429 . 1 1 49 49 ILE CB C 13 40.017 0.400 . 1 . . . . . 47 ILE CB . 19299 1 430 . 1 1 49 49 ILE CG1 C 13 26.999 0.400 . 1 . . . . . 47 ILE CG1 . 19299 1 431 . 1 1 49 49 ILE CG2 C 13 16.866 0.400 . 1 . . . . . 47 ILE CG2 . 19299 1 432 . 1 1 49 49 ILE CD1 C 13 12.727 0.400 . 1 . . . . . 47 ILE CD1 . 19299 1 433 . 1 1 49 49 ILE N N 15 119.922 0.400 . 1 . . . . . 47 ILE N . 19299 1 434 . 1 1 50 50 ALA HA H 1 4.068 0.020 . 1 . . . . . 48 ALA HA . 19299 1 435 . 1 1 50 50 ALA HB1 H 1 1.319 0.020 . 1 . . . . . 48 ALA HB1 . 19299 1 436 . 1 1 50 50 ALA HB2 H 1 1.319 0.020 . 1 . . . . . 48 ALA HB2 . 19299 1 437 . 1 1 50 50 ALA HB3 H 1 1.319 0.020 . 1 . . . . . 48 ALA HB3 . 19299 1 438 . 1 1 50 50 ALA C C 13 177.386 0.400 . 1 . . . . . 48 ALA C . 19299 1 439 . 1 1 50 50 ALA CA C 13 54.375 0.400 . 1 . . . . . 48 ALA CA . 19299 1 440 . 1 1 50 50 ALA CB C 13 18.557 0.400 . 1 . . . . . 48 ALA CB . 19299 1 441 . 1 1 51 51 ALA H H 1 7.247 0.020 . 1 . . . . . 49 ALA H . 19299 1 442 . 1 1 51 51 ALA HA H 1 4.323 0.020 . 1 . . . . . 49 ALA HA . 19299 1 443 . 1 1 51 51 ALA HB1 H 1 1.322 0.020 . 1 . . . . . 49 ALA HB1 . 19299 1 444 . 1 1 51 51 ALA HB2 H 1 1.322 0.020 . 1 . . . . . 49 ALA HB2 . 19299 1 445 . 1 1 51 51 ALA HB3 H 1 1.322 0.020 . 1 . . . . . 49 ALA HB3 . 19299 1 446 . 1 1 51 51 ALA C C 13 176.929 0.400 . 1 . . . . . 49 ALA C . 19299 1 447 . 1 1 51 51 ALA CA C 13 51.713 0.400 . 1 . . . . . 49 ALA CA . 19299 1 448 . 1 1 51 51 ALA CB C 13 20.417 0.400 . 1 . . . . . 49 ALA CB . 19299 1 449 . 1 1 51 51 ALA N N 15 119.937 0.400 . 1 . . . . . 49 ALA N . 19299 1 450 . 1 1 52 52 TRP H H 1 8.200 0.020 . 1 . . . . . 50 TRP H . 19299 1 451 . 1 1 52 52 TRP HA H 1 4.254 0.020 . 1 . . . . . 50 TRP HA . 19299 1 452 . 1 1 52 52 TRP HB2 H 1 2.942 0.020 . 2 . . . . . 50 TRP HB2 . 19299 1 453 . 1 1 52 52 TRP HB3 H 1 2.868 0.020 . 2 . . . . . 50 TRP HB3 . 19299 1 454 . 1 1 52 52 TRP HD1 H 1 7.351 0.020 . 1 . . . . . 50 TRP HD1 . 19299 1 455 . 1 1 52 52 TRP HE1 H 1 10.148 0.020 . 1 . . . . . 50 TRP HE1 . 19299 1 456 . 1 1 52 52 TRP HE3 H 1 7.165 0.020 . 1 . . . . . 50 TRP HE3 . 19299 1 457 . 1 1 52 52 TRP HZ2 H 1 7.401 0.020 . 1 . . . . . 50 TRP HZ2 . 19299 1 458 . 1 1 52 52 TRP HZ3 H 1 6.682 0.020 . 1 . . . . . 50 TRP HZ3 . 19299 1 459 . 1 1 52 52 TRP HH2 H 1 6.961 0.020 . 1 . . . . . 50 TRP HH2 . 19299 1 460 . 1 1 52 52 TRP C C 13 176.677 0.400 . 1 . . . . . 50 TRP C . 19299 1 461 . 1 1 52 52 TRP CA C 13 58.773 0.400 . 1 . . . . . 50 TRP CA . 19299 1 462 . 1 1 52 52 TRP CB C 13 29.631 0.400 . 1 . . . . . 50 TRP CB . 19299 1 463 . 1 1 52 52 TRP CD1 C 13 127.292 0.400 . 1 . . . . . 50 TRP CD1 . 19299 1 464 . 1 1 52 52 TRP CE3 C 13 120.190 0.400 . 1 . . . . . 50 TRP CE3 . 19299 1 465 . 1 1 52 52 TRP CZ2 C 13 114.622 0.400 . 1 . . . . . 50 TRP CZ2 . 19299 1 466 . 1 1 52 52 TRP CZ3 C 13 121.816 0.400 . 1 . . . . . 50 TRP CZ3 . 19299 1 467 . 1 1 52 52 TRP CH2 C 13 125.209 0.400 . 1 . . . . . 50 TRP CH2 . 19299 1 468 . 1 1 52 52 TRP N N 15 118.746 0.400 . 1 . . . . . 50 TRP N . 19299 1 469 . 1 1 52 52 TRP NE1 N 15 129.435 0.400 . 1 . . . . . 50 TRP NE1 . 19299 1 470 . 1 1 53 53 ILE H H 1 9.554 0.020 . 1 . . . . . 51 ILE H . 19299 1 471 . 1 1 53 53 ILE HA H 1 4.331 0.020 . 1 . . . . . 51 ILE HA . 19299 1 472 . 1 1 53 53 ILE HB H 1 1.667 0.020 . 1 . . . . . 51 ILE HB . 19299 1 473 . 1 1 53 53 ILE HG12 H 1 1.440 0.020 . 2 . . . . . 51 ILE HG12 . 19299 1 474 . 1 1 53 53 ILE HG13 H 1 1.117 0.020 . 2 . . . . . 51 ILE HG13 . 19299 1 475 . 1 1 53 53 ILE HG21 H 1 1.001 0.020 . 1 . . . . . 51 ILE HG21 . 19299 1 476 . 1 1 53 53 ILE HG22 H 1 1.001 0.020 . 1 . . . . . 51 ILE HG22 . 19299 1 477 . 1 1 53 53 ILE HG23 H 1 1.001 0.020 . 1 . . . . . 51 ILE HG23 . 19299 1 478 . 1 1 53 53 ILE HD11 H 1 0.646 0.020 . 1 . . . . . 51 ILE HD11 . 19299 1 479 . 1 1 53 53 ILE HD12 H 1 0.646 0.020 . 1 . . . . . 51 ILE HD12 . 19299 1 480 . 1 1 53 53 ILE HD13 H 1 0.646 0.020 . 1 . . . . . 51 ILE HD13 . 19299 1 481 . 1 1 53 53 ILE C C 13 175.757 0.400 . 1 . . . . . 51 ILE C . 19299 1 482 . 1 1 53 53 ILE CA C 13 59.648 0.400 . 1 . . . . . 51 ILE CA . 19299 1 483 . 1 1 53 53 ILE CB C 13 40.132 0.400 . 1 . . . . . 51 ILE CB . 19299 1 484 . 1 1 53 53 ILE CG1 C 13 26.675 0.400 . 1 . . . . . 51 ILE CG1 . 19299 1 485 . 1 1 53 53 ILE CG2 C 13 18.512 0.400 . 1 . . . . . 51 ILE CG2 . 19299 1 486 . 1 1 53 53 ILE CD1 C 13 14.018 0.400 . 1 . . . . . 51 ILE CD1 . 19299 1 487 . 1 1 53 53 ILE N N 15 124.414 0.400 . 1 . . . . . 51 ILE N . 19299 1 488 . 1 1 54 54 HIS H H 1 8.971 0.020 . 1 . . . . . 52 HIS H . 19299 1 489 . 1 1 54 54 HIS HA H 1 4.370 0.020 . 1 . . . . . 52 HIS HA . 19299 1 490 . 1 1 54 54 HIS HB2 H 1 2.968 0.020 . 1 . . . . . 52 HIS HB2 . 19299 1 491 . 1 1 54 54 HIS HB3 H 1 2.968 0.020 . 1 . . . . . 52 HIS HB3 . 19299 1 492 . 1 1 54 54 HIS C C 13 176.935 0.400 . 1 . . . . . 52 HIS C . 19299 1 493 . 1 1 54 54 HIS CA C 13 58.564 0.400 . 1 . . . . . 52 HIS CA . 19299 1 494 . 1 1 54 54 HIS CB C 13 31.006 0.400 . 1 . . . . . 52 HIS CB . 19299 1 495 . 1 1 54 54 HIS N N 15 127.262 0.400 . 1 . . . . . 52 HIS N . 19299 1 496 . 1 1 55 55 ALA H H 1 7.944 0.020 . 1 . . . . . 53 ALA H . 19299 1 497 . 1 1 55 55 ALA HA H 1 3.746 0.020 . 1 . . . . . 53 ALA HA . 19299 1 498 . 1 1 55 55 ALA HB1 H 1 1.205 0.020 . 1 . . . . . 53 ALA HB1 . 19299 1 499 . 1 1 55 55 ALA HB2 H 1 1.205 0.020 . 1 . . . . . 53 ALA HB2 . 19299 1 500 . 1 1 55 55 ALA HB3 H 1 1.205 0.020 . 1 . . . . . 53 ALA HB3 . 19299 1 501 . 1 1 55 55 ALA C C 13 178.206 0.400 . 1 . . . . . 53 ALA C . 19299 1 502 . 1 1 55 55 ALA CA C 13 55.514 0.400 . 1 . . . . . 53 ALA CA . 19299 1 503 . 1 1 55 55 ALA CB C 13 18.490 0.400 . 1 . . . . . 53 ALA CB . 19299 1 504 . 1 1 55 55 ALA N N 15 126.045 0.400 . 1 . . . . . 53 ALA N . 19299 1 505 . 1 1 56 56 ALA H H 1 9.490 0.020 . 1 . . . . . 54 ALA H . 19299 1 506 . 1 1 56 56 ALA HA H 1 4.277 0.020 . 1 . . . . . 54 ALA HA . 19299 1 507 . 1 1 56 56 ALA HB1 H 1 1.233 0.020 . 1 . . . . . 54 ALA HB1 . 19299 1 508 . 1 1 56 56 ALA HB2 H 1 1.233 0.020 . 1 . . . . . 54 ALA HB2 . 19299 1 509 . 1 1 56 56 ALA HB3 H 1 1.233 0.020 . 1 . . . . . 54 ALA HB3 . 19299 1 510 . 1 1 56 56 ALA C C 13 178.935 0.400 . 1 . . . . . 54 ALA C . 19299 1 511 . 1 1 56 56 ALA CA C 13 54.360 0.400 . 1 . . . . . 54 ALA CA . 19299 1 512 . 1 1 56 56 ALA CB C 13 18.382 0.400 . 1 . . . . . 54 ALA CB . 19299 1 513 . 1 1 56 56 ALA N N 15 119.749 0.400 . 1 . . . . . 54 ALA N . 19299 1 514 . 1 1 57 57 HIS H H 1 8.305 0.020 . 1 . . . . . 55 HIS H . 19299 1 515 . 1 1 57 57 HIS HA H 1 4.910 0.020 . 1 . . . . . 55 HIS HA . 19299 1 516 . 1 1 57 57 HIS HB2 H 1 3.210 0.020 . 2 . . . . . 55 HIS HB2 . 19299 1 517 . 1 1 57 57 HIS HB3 H 1 3.636 0.020 . 2 . . . . . 55 HIS HB3 . 19299 1 518 . 1 1 57 57 HIS C C 13 173.163 0.400 . 1 . . . . . 55 HIS C . 19299 1 519 . 1 1 57 57 HIS CA C 13 54.338 0.400 . 1 . . . . . 55 HIS CA . 19299 1 520 . 1 1 57 57 HIS CB C 13 31.247 0.400 . 1 . . . . . 55 HIS CB . 19299 1 521 . 1 1 57 57 HIS N N 15 116.716 0.400 . 1 . . . . . 55 HIS N . 19299 1 522 . 1 1 58 58 VAL H H 1 7.535 0.020 . 1 . . . . . 56 VAL H . 19299 1 523 . 1 1 58 58 VAL HA H 1 5.512 0.020 . 1 . . . . . 56 VAL HA . 19299 1 524 . 1 1 58 58 VAL HB H 1 1.937 0.020 . 1 . . . . . 56 VAL HB . 19299 1 525 . 1 1 58 58 VAL HG11 H 1 0.584 0.020 . 2 . . . . . 56 VAL HG11 . 19299 1 526 . 1 1 58 58 VAL HG12 H 1 0.584 0.020 . 2 . . . . . 56 VAL HG12 . 19299 1 527 . 1 1 58 58 VAL HG13 H 1 0.584 0.020 . 2 . . . . . 56 VAL HG13 . 19299 1 528 . 1 1 58 58 VAL HG21 H 1 0.732 0.020 . 2 . . . . . 56 VAL HG21 . 19299 1 529 . 1 1 58 58 VAL HG22 H 1 0.732 0.020 . 2 . . . . . 56 VAL HG22 . 19299 1 530 . 1 1 58 58 VAL HG23 H 1 0.732 0.020 . 2 . . . . . 56 VAL HG23 . 19299 1 531 . 1 1 58 58 VAL C C 13 174.918 0.400 . 1 . . . . . 56 VAL C . 19299 1 532 . 1 1 58 58 VAL CA C 13 60.455 0.400 . 1 . . . . . 56 VAL CA . 19299 1 533 . 1 1 58 58 VAL CB C 13 34.594 0.400 . 1 . . . . . 56 VAL CB . 19299 1 534 . 1 1 58 58 VAL CG1 C 13 21.679 0.400 . 1 . . . . . 56 VAL CG1 . 19299 1 535 . 1 1 58 58 VAL CG2 C 13 21.173 0.400 . 1 . . . . . 56 VAL CG2 . 19299 1 536 . 1 1 58 58 VAL N N 15 115.531 0.400 . 1 . . . . . 56 VAL N . 19299 1 537 . 1 1 59 59 LYS H H 1 8.900 0.020 . 1 . . . . . 57 LYS H . 19299 1 538 . 1 1 59 59 LYS HA H 1 4.776 0.020 . 1 . . . . . 57 LYS HA . 19299 1 539 . 1 1 59 59 LYS HB2 H 1 1.337 0.020 . 2 . . . . . 57 LYS HB2 . 19299 1 540 . 1 1 59 59 LYS HB3 H 1 1.304 0.020 . 2 . . . . . 57 LYS HB3 . 19299 1 541 . 1 1 59 59 LYS C C 13 174.805 0.400 . 1 . . . . . 57 LYS C . 19299 1 542 . 1 1 59 59 LYS CA C 13 54.818 0.400 . 1 . . . . . 57 LYS CA . 19299 1 543 . 1 1 59 59 LYS CB C 13 36.404 0.400 . 1 . . . . . 57 LYS CB . 19299 1 544 . 1 1 59 59 LYS N N 15 123.219 0.400 . 1 . . . . . 57 LYS N . 19299 1 545 . 1 1 60 60 ALA H H 1 8.886 0.020 . 1 . . . . . 58 ALA H . 19299 1 546 . 1 1 60 60 ALA HA H 1 4.444 0.020 . 1 . . . . . 58 ALA HA . 19299 1 547 . 1 1 60 60 ALA HB1 H 1 1.561 0.020 . 1 . . . . . 58 ALA HB1 . 19299 1 548 . 1 1 60 60 ALA HB2 H 1 1.561 0.020 . 1 . . . . . 58 ALA HB2 . 19299 1 549 . 1 1 60 60 ALA HB3 H 1 1.561 0.020 . 1 . . . . . 58 ALA HB3 . 19299 1 550 . 1 1 60 60 ALA C C 13 176.563 0.400 . 1 . . . . . 58 ALA C . 19299 1 551 . 1 1 60 60 ALA CA C 13 52.957 0.400 . 1 . . . . . 58 ALA CA . 19299 1 552 . 1 1 60 60 ALA CB C 13 19.734 0.400 . 1 . . . . . 58 ALA CB . 19299 1 553 . 1 1 60 60 ALA N N 15 124.998 0.400 . 1 . . . . . 58 ALA N . 19299 1 554 . 1 1 61 61 ALA H H 1 7.940 0.020 . 1 . . . . . 59 ALA H . 19299 1 555 . 1 1 61 61 ALA HA H 1 4.226 0.020 . 1 . . . . . 59 ALA HA . 19299 1 556 . 1 1 61 61 ALA HB1 H 1 0.996 0.020 . 1 . . . . . 59 ALA HB1 . 19299 1 557 . 1 1 61 61 ALA HB2 H 1 0.996 0.020 . 1 . . . . . 59 ALA HB2 . 19299 1 558 . 1 1 61 61 ALA HB3 H 1 0.996 0.020 . 1 . . . . . 59 ALA HB3 . 19299 1 559 . 1 1 61 61 ALA C C 13 176.264 0.400 . 1 . . . . . 59 ALA C . 19299 1 560 . 1 1 61 61 ALA CA C 13 51.728 0.400 . 1 . . . . . 59 ALA CA . 19299 1 561 . 1 1 61 61 ALA CB C 13 19.694 0.400 . 1 . . . . . 59 ALA CB . 19299 1 562 . 1 1 61 61 ALA N N 15 121.855 0.400 . 1 . . . . . 59 ALA N . 19299 1 563 . 1 1 62 62 ASP H H 1 8.050 0.020 . 1 . . . . . 60 ASP H . 19299 1 564 . 1 1 62 62 ASP C C 13 175.009 0.400 . 1 . . . . . 60 ASP C . 19299 1 565 . 1 1 62 62 ASP CA C 13 55.450 0.400 . 1 . . . . . 60 ASP CA . 19299 1 566 . 1 1 62 62 ASP CB C 13 41.320 0.400 . 1 . . . . . 60 ASP CB . 19299 1 567 . 1 1 62 62 ASP N N 15 121.270 0.400 . 1 . . . . . 60 ASP N . 19299 1 568 . 1 1 63 63 PRO HA H 1 4.298 0.020 . 1 . . . . . 61 PRO HA . 19299 1 569 . 1 1 63 63 PRO HB2 H 1 1.856 0.020 . 2 . . . . . 61 PRO HB2 . 19299 1 570 . 1 1 63 63 PRO HB3 H 1 2.085 0.020 . 2 . . . . . 61 PRO HB3 . 19299 1 571 . 1 1 63 63 PRO C C 13 177.638 0.400 . 1 . . . . . 61 PRO C . 19299 1 572 . 1 1 63 63 PRO CA C 13 63.752 0.400 . 1 . . . . . 61 PRO CA . 19299 1 573 . 1 1 63 63 PRO CB C 13 31.843 0.400 . 1 . . . . . 61 PRO CB . 19299 1 574 . 1 1 63 63 PRO CG C 13 26.937 0.400 . 1 . . . . . 61 PRO CG . 19299 1 575 . 1 1 63 63 PRO CD C 13 50.643 0.400 . 1 . . . . . 61 PRO CD . 19299 1 576 . 1 1 64 64 GLY H H 1 8.469 0.020 . 1 . . . . . 62 GLY H . 19299 1 577 . 1 1 64 64 GLY HA2 H 1 3.871 0.020 . 2 . . . . . 62 GLY HA2 . 19299 1 578 . 1 1 64 64 GLY HA3 H 1 3.875 0.020 . 2 . . . . . 62 GLY HA3 . 19299 1 579 . 1 1 64 64 GLY C C 13 174.650 0.400 . 1 . . . . . 62 GLY C . 19299 1 580 . 1 1 64 64 GLY CA C 13 45.326 0.400 . 1 . . . . . 62 GLY CA . 19299 1 581 . 1 1 64 64 GLY N N 15 108.579 0.400 . 1 . . . . . 62 GLY N . 19299 1 582 . 1 1 65 65 GLY H H 1 8.082 0.020 . 1 . . . . . 63 GLY H . 19299 1 583 . 1 1 65 65 GLY HA2 H 1 3.940 0.020 . 2 . . . . . 63 GLY HA2 . 19299 1 584 . 1 1 65 65 GLY HA3 H 1 3.938 0.020 . 2 . . . . . 63 GLY HA3 . 19299 1 585 . 1 1 65 65 GLY C C 13 174.471 0.400 . 1 . . . . . 63 GLY C . 19299 1 586 . 1 1 65 65 GLY CA C 13 45.212 0.400 . 1 . . . . . 63 GLY CA . 19299 1 587 . 1 1 65 65 GLY N N 15 108.449 0.400 . 1 . . . . . 63 GLY N . 19299 1 588 . 1 1 66 66 GLY H H 1 8.157 0.020 . 1 . . . . . 64 GLY H . 19299 1 589 . 1 1 66 66 GLY HA2 H 1 4.036 0.020 . 1 . . . . . 64 GLY HA2 . 19299 1 590 . 1 1 66 66 GLY HA3 H 1 4.036 0.020 . 1 . . . . . 64 GLY HA3 . 19299 1 591 . 1 1 66 66 GLY C C 13 172.150 0.400 . 1 . . . . . 64 GLY C . 19299 1 592 . 1 1 66 66 GLY CA C 13 44.663 0.400 . 1 . . . . . 64 GLY CA . 19299 1 593 . 1 1 66 66 GLY N N 15 108.899 0.400 . 1 . . . . . 64 GLY N . 19299 1 594 . 1 1 67 67 PRO HA H 1 4.302 0.020 . 1 . . . . . 65 PRO HA . 19299 1 595 . 1 1 67 67 PRO HB2 H 1 2.154 0.020 . 2 . . . . . 65 PRO HB2 . 19299 1 596 . 1 1 67 67 PRO HB3 H 1 1.856 0.020 . 2 . . . . . 65 PRO HB3 . 19299 1 597 . 1 1 67 67 PRO HG2 H 1 1.942 0.020 . 1 . . . . . 65 PRO HG2 . 19299 1 598 . 1 1 67 67 PRO HG3 H 1 1.943 0.020 . 1 . . . . . 65 PRO HG3 . 19299 1 599 . 1 1 67 67 PRO HD2 H 1 3.671 0.020 . 2 . . . . . 65 PRO HD2 . 19299 1 600 . 1 1 67 67 PRO HD3 H 1 3.584 0.020 . 2 . . . . . 65 PRO HD3 . 19299 1 601 . 1 1 67 67 PRO C C 13 177.620 0.400 . 1 . . . . . 65 PRO C . 19299 1 602 . 1 1 67 67 PRO CA C 13 63.774 0.400 . 1 . . . . . 65 PRO CA . 19299 1 603 . 1 1 67 67 PRO CB C 13 31.992 0.400 . 1 . . . . . 65 PRO CB . 19299 1 604 . 1 1 67 67 PRO CG C 13 27.168 0.400 . 1 . . . . . 65 PRO CG . 19299 1 605 . 1 1 67 67 PRO CD C 13 50.111 0.400 . 1 . . . . . 65 PRO CD . 19299 1 606 . 1 1 68 68 SER H H 1 8.380 0.020 . 1 . . . . . 66 SER H . 19299 1 607 . 1 1 68 68 SER HA H 1 4.371 0.020 . 1 . . . . . 66 SER HA . 19299 1 608 . 1 1 68 68 SER HB2 H 1 3.882 0.020 . 2 . . . . . 66 SER HB2 . 19299 1 609 . 1 1 68 68 SER HB3 H 1 3.819 0.020 . 2 . . . . . 66 SER HB3 . 19299 1 610 . 1 1 68 68 SER C C 13 174.868 0.400 . 1 . . . . . 66 SER C . 19299 1 611 . 1 1 68 68 SER CA C 13 58.931 0.400 . 1 . . . . . 66 SER CA . 19299 1 612 . 1 1 68 68 SER CB C 13 63.474 0.400 . 1 . . . . . 66 SER CB . 19299 1 613 . 1 1 68 68 SER N N 15 115.181 0.400 . 1 . . . . . 66 SER N . 19299 1 614 . 1 1 69 69 SER H H 1 8.156 0.020 . 1 . . . . . 67 SER H . 19299 1 615 . 1 1 69 69 SER HA H 1 4.375 0.020 . 1 . . . . . 67 SER HA . 19299 1 616 . 1 1 69 69 SER HB2 H 1 4.381 0.020 . 1 . . . . . 67 SER HB2 . 19299 1 617 . 1 1 69 69 SER HB3 H 1 4.381 0.020 . 1 . . . . . 67 SER HB3 . 19299 1 618 . 1 1 69 69 SER C C 13 174.708 0.400 . 1 . . . . . 67 SER C . 19299 1 619 . 1 1 69 69 SER CA C 13 58.865 0.400 . 1 . . . . . 67 SER CA . 19299 1 620 . 1 1 69 69 SER CB C 13 63.764 0.400 . 1 . . . . . 67 SER CB . 19299 1 621 . 1 1 69 69 SER N N 15 117.573 0.400 . 1 . . . . . 67 SER N . 19299 1 622 . 1 1 70 70 ARG H H 1 8.089 0.020 . 1 . . . . . 68 ARG H . 19299 1 623 . 1 1 70 70 ARG HA H 1 4.211 0.020 . 1 . . . . . 68 ARG HA . 19299 1 624 . 1 1 70 70 ARG HB2 H 1 1.606 0.020 . 1 . . . . . 68 ARG HB2 . 19299 1 625 . 1 1 70 70 ARG HB3 H 1 1.606 0.020 . 1 . . . . . 68 ARG HB3 . 19299 1 626 . 1 1 70 70 ARG C C 13 176.278 0.400 . 1 . . . . . 68 ARG C . 19299 1 627 . 1 1 70 70 ARG CA C 13 56.452 0.400 . 1 . . . . . 68 ARG CA . 19299 1 628 . 1 1 70 70 ARG CB C 13 30.492 0.400 . 1 . . . . . 68 ARG CB . 19299 1 629 . 1 1 70 70 ARG N N 15 122.016 0.400 . 1 . . . . . 68 ARG N . 19299 1 630 . 1 1 71 71 LEU H H 1 8.055 0.020 . 1 . . . . . 69 LEU H . 19299 1 631 . 1 1 71 71 LEU HA H 1 4.275 0.020 . 1 . . . . . 69 LEU HA . 19299 1 632 . 1 1 71 71 LEU HB2 H 1 1.582 0.020 . 2 . . . . . 69 LEU HB2 . 19299 1 633 . 1 1 71 71 LEU HB3 H 1 1.432 0.020 . 2 . . . . . 69 LEU HB3 . 19299 1 634 . 1 1 71 71 LEU HG H 1 1.544 0.020 . 1 . . . . . 69 LEU HG . 19299 1 635 . 1 1 71 71 LEU HD11 H 1 0.844 0.020 . 2 . . . . . 69 LEU HD11 . 19299 1 636 . 1 1 71 71 LEU HD12 H 1 0.844 0.020 . 2 . . . . . 69 LEU HD12 . 19299 1 637 . 1 1 71 71 LEU HD13 H 1 0.844 0.020 . 2 . . . . . 69 LEU HD13 . 19299 1 638 . 1 1 71 71 LEU HD21 H 1 0.792 0.020 . 2 . . . . . 69 LEU HD21 . 19299 1 639 . 1 1 71 71 LEU HD22 H 1 0.792 0.020 . 2 . . . . . 69 LEU HD22 . 19299 1 640 . 1 1 71 71 LEU HD23 H 1 0.792 0.020 . 2 . . . . . 69 LEU HD23 . 19299 1 641 . 1 1 71 71 LEU C C 13 177.562 0.400 . 1 . . . . . 69 LEU C . 19299 1 642 . 1 1 71 71 LEU CA C 13 55.532 0.400 . 1 . . . . . 69 LEU CA . 19299 1 643 . 1 1 71 71 LEU CB C 13 42.088 0.400 . 1 . . . . . 69 LEU CB . 19299 1 644 . 1 1 71 71 LEU CG C 13 26.871 0.400 . 1 . . . . . 69 LEU CG . 19299 1 645 . 1 1 71 71 LEU CD1 C 13 24.948 0.400 . 1 . . . . . 69 LEU CD1 . 19299 1 646 . 1 1 71 71 LEU CD2 C 13 23.285 0.400 . 1 . . . . . 69 LEU CD2 . 19299 1 647 . 1 1 71 71 LEU N N 15 121.881 0.400 . 1 . . . . . 69 LEU N . 19299 1 648 . 1 1 72 72 THR H H 1 7.881 0.020 . 1 . . . . . 70 THR H . 19299 1 649 . 1 1 72 72 THR HA H 1 4.225 0.020 . 1 . . . . . 70 THR HA . 19299 1 650 . 1 1 72 72 THR HB H 1 4.168 0.020 . 1 . . . . . 70 THR HB . 19299 1 651 . 1 1 72 72 THR HG21 H 1 1.082 0.020 . 1 . . . . . 70 THR HG21 . 19299 1 652 . 1 1 72 72 THR HG22 H 1 1.082 0.020 . 1 . . . . . 70 THR HG22 . 19299 1 653 . 1 1 72 72 THR HG23 H 1 1.082 0.020 . 1 . . . . . 70 THR HG23 . 19299 1 654 . 1 1 72 72 THR C C 13 174.358 0.400 . 1 . . . . . 70 THR C . 19299 1 655 . 1 1 72 72 THR CA C 13 62.302 0.400 . 1 . . . . . 70 THR CA . 19299 1 656 . 1 1 72 72 THR CB C 13 69.781 0.400 . 1 . . . . . 70 THR CB . 19299 1 657 . 1 1 72 72 THR CG2 C 13 21.576 0.400 . 1 . . . . . 70 THR CG2 . 19299 1 658 . 1 1 72 72 THR N N 15 113.392 0.400 . 1 . . . . . 70 THR N . 19299 1 659 . 1 1 73 73 TRP H H 1 7.953 0.020 . 1 . . . . . 71 TRP H . 19299 1 660 . 1 1 73 73 TRP HA H 1 4.607 0.020 . 1 . . . . . 71 TRP HA . 19299 1 661 . 1 1 73 73 TRP HB2 H 1 3.233 0.020 . 1 . . . . . 71 TRP HB2 . 19299 1 662 . 1 1 73 73 TRP HB3 H 1 3.233 0.020 . 1 . . . . . 71 TRP HB3 . 19299 1 663 . 1 1 73 73 TRP HD1 H 1 7.195 0.020 . 1 . . . . . 71 TRP HD1 . 19299 1 664 . 1 1 73 73 TRP HE1 H 1 10.077 0.020 . 1 . . . . . 71 TRP HE1 . 19299 1 665 . 1 1 73 73 TRP HE3 H 1 7.504 0.020 . 1 . . . . . 71 TRP HE3 . 19299 1 666 . 1 1 73 73 TRP HZ2 H 1 7.415 0.020 . 1 . . . . . 71 TRP HZ2 . 19299 1 667 . 1 1 73 73 TRP HZ3 H 1 7.053 0.020 . 1 . . . . . 71 TRP HZ3 . 19299 1 668 . 1 1 73 73 TRP HH2 H 1 7.145 0.020 . 1 . . . . . 71 TRP HH2 . 19299 1 669 . 1 1 73 73 TRP C C 13 176.003 0.400 . 1 . . . . . 71 TRP C . 19299 1 670 . 1 1 73 73 TRP CA C 13 57.415 0.400 . 1 . . . . . 71 TRP CA . 19299 1 671 . 1 1 73 73 TRP CB C 13 29.448 0.400 . 1 . . . . . 71 TRP CB . 19299 1 672 . 1 1 73 73 TRP CD1 C 13 127.063 0.400 . 1 . . . . . 71 TRP CD1 . 19299 1 673 . 1 1 73 73 TRP CE3 C 13 120.802 0.400 . 1 . . . . . 71 TRP CE3 . 19299 1 674 . 1 1 73 73 TRP CZ2 C 13 114.635 0.400 . 1 . . . . . 71 TRP CZ2 . 19299 1 675 . 1 1 73 73 TRP CZ3 C 13 121.966 0.400 . 1 . . . . . 71 TRP CZ3 . 19299 1 676 . 1 1 73 73 TRP CH2 C 13 124.608 0.400 . 1 . . . . . 71 TRP CH2 . 19299 1 677 . 1 1 73 73 TRP N N 15 122.803 0.400 . 1 . . . . . 71 TRP N . 19299 1 678 . 1 1 73 73 TRP NE1 N 15 129.357 0.400 . 1 . . . . . 71 TRP NE1 . 19299 1 679 . 1 1 74 74 ARG H H 1 7.900 0.020 . 1 . . . . . 72 ARG H . 19299 1 680 . 1 1 74 74 ARG HA H 1 4.125 0.020 . 1 . . . . . 72 ARG HA . 19299 1 681 . 1 1 74 74 ARG HB2 H 1 1.657 0.020 . 2 . . . . . 72 ARG HB2 . 19299 1 682 . 1 1 74 74 ARG HB3 H 1 1.559 0.020 . 2 . . . . . 72 ARG HB3 . 19299 1 683 . 1 1 74 74 ARG HG2 H 1 1.561 0.020 . 1 . . . . . 72 ARG HG2 . 19299 1 684 . 1 1 74 74 ARG HG3 H 1 1.561 0.020 . 1 . . . . . 72 ARG HG3 . 19299 1 685 . 1 1 74 74 ARG HD2 H 1 3.098 0.020 . 1 . . . . . 72 ARG HD2 . 19299 1 686 . 1 1 74 74 ARG HD3 H 1 3.098 0.020 . 1 . . . . . 72 ARG HD3 . 19299 1 687 . 1 1 74 74 ARG C C 13 176.101 0.400 . 1 . . . . . 72 ARG C . 19299 1 688 . 1 1 74 74 ARG CA C 13 56.341 0.400 . 1 . . . . . 72 ARG CA . 19299 1 689 . 1 1 74 74 ARG CB C 13 30.758 0.400 . 1 . . . . . 72 ARG CB . 19299 1 690 . 1 1 74 74 ARG CG C 13 26.940 0.400 . 1 . . . . . 72 ARG CG . 19299 1 691 . 1 1 74 74 ARG CD C 13 43.336 0.400 . 1 . . . . . 72 ARG CD . 19299 1 692 . 1 1 74 74 ARG N N 15 121.933 0.400 . 1 . . . . . 72 ARG N . 19299 1 693 . 1 1 75 75 VAL H H 1 7.914 0.020 . 1 . . . . . 73 VAL H . 19299 1 694 . 1 1 75 75 VAL HA H 1 3.951 0.020 . 1 . . . . . 73 VAL HA . 19299 1 695 . 1 1 75 75 VAL HB H 1 1.976 0.020 . 1 . . . . . 73 VAL HB . 19299 1 696 . 1 1 75 75 VAL HG11 H 1 0.862 0.020 . 2 . . . . . 73 VAL HG11 . 19299 1 697 . 1 1 75 75 VAL HG12 H 1 0.862 0.020 . 2 . . . . . 73 VAL HG12 . 19299 1 698 . 1 1 75 75 VAL HG13 H 1 0.862 0.020 . 2 . . . . . 73 VAL HG13 . 19299 1 699 . 1 1 75 75 VAL HG21 H 1 0.891 0.020 . 2 . . . . . 73 VAL HG21 . 19299 1 700 . 1 1 75 75 VAL HG22 H 1 0.891 0.020 . 2 . . . . . 73 VAL HG22 . 19299 1 701 . 1 1 75 75 VAL HG23 H 1 0.891 0.020 . 2 . . . . . 73 VAL HG23 . 19299 1 702 . 1 1 75 75 VAL C C 13 176.091 0.400 . 1 . . . . . 73 VAL C . 19299 1 703 . 1 1 75 75 VAL CA C 13 62.671 0.400 . 1 . . . . . 73 VAL CA . 19299 1 704 . 1 1 75 75 VAL CB C 13 32.480 0.400 . 1 . . . . . 73 VAL CB . 19299 1 705 . 1 1 75 75 VAL CG1 C 13 21.002 0.400 . 1 . . . . . 73 VAL CG1 . 19299 1 706 . 1 1 75 75 VAL CG2 C 13 20.977 0.400 . 1 . . . . . 73 VAL CG2 . 19299 1 707 . 1 1 75 75 VAL N N 15 120.647 0.400 . 1 . . . . . 73 VAL N . 19299 1 708 . 1 1 76 76 GLN H H 1 8.353 0.020 . 1 . . . . . 74 GLN H . 19299 1 709 . 1 1 76 76 GLN HA H 1 4.289 0.020 . 1 . . . . . 74 GLN HA . 19299 1 710 . 1 1 76 76 GLN HB2 H 1 2.051 0.020 . 2 . . . . . 74 GLN HB2 . 19299 1 711 . 1 1 76 76 GLN HB3 H 1 1.934 0.020 . 2 . . . . . 74 GLN HB3 . 19299 1 712 . 1 1 76 76 GLN HG2 H 1 2.312 0.020 . 1 . . . . . 74 GLN HG2 . 19299 1 713 . 1 1 76 76 GLN HG3 H 1 2.312 0.020 . 1 . . . . . 74 GLN HG3 . 19299 1 714 . 1 1 76 76 GLN C C 13 175.934 0.400 . 1 . . . . . 74 GLN C . 19299 1 715 . 1 1 76 76 GLN CA C 13 56.102 0.400 . 1 . . . . . 74 GLN CA . 19299 1 716 . 1 1 76 76 GLN CB C 13 29.577 0.400 . 1 . . . . . 74 GLN CB . 19299 1 717 . 1 1 76 76 GLN CG C 13 33.809 0.400 . 1 . . . . . 74 GLN CG . 19299 1 718 . 1 1 76 76 GLN N N 15 123.976 0.400 . 1 . . . . . 74 GLN N . 19299 1 719 . 1 1 77 77 ARG H H 1 8.334 0.020 . 1 . . . . . 75 ARG H . 19299 1 720 . 1 1 77 77 ARG HA H 1 4.286 0.020 . 1 . . . . . 75 ARG HA . 19299 1 721 . 1 1 77 77 ARG HB2 H 1 1.799 0.020 . 2 . . . . . 75 ARG HB2 . 19299 1 722 . 1 1 77 77 ARG HB3 H 1 1.723 0.020 . 2 . . . . . 75 ARG HB3 . 19299 1 723 . 1 1 77 77 ARG HG2 H 1 1.327 0.020 . 1 . . . . . 75 ARG HG2 . 19299 1 724 . 1 1 77 77 ARG HG3 H 1 1.327 0.020 . 1 . . . . . 75 ARG HG3 . 19299 1 725 . 1 1 77 77 ARG HD2 H 1 3.041 0.020 . 1 . . . . . 75 ARG HD2 . 19299 1 726 . 1 1 77 77 ARG HD3 H 1 3.041 0.020 . 1 . . . . . 75 ARG HD3 . 19299 1 727 . 1 1 77 77 ARG C C 13 176.235 0.400 . 1 . . . . . 75 ARG C . 19299 1 728 . 1 1 77 77 ARG CA C 13 56.282 0.400 . 1 . . . . . 75 ARG CA . 19299 1 729 . 1 1 77 77 ARG CB C 13 30.805 0.400 . 1 . . . . . 75 ARG CB . 19299 1 730 . 1 1 77 77 ARG CG C 13 26.983 0.400 . 1 . . . . . 75 ARG CG . 19299 1 731 . 1 1 77 77 ARG CD C 13 43.320 0.400 . 1 . . . . . 75 ARG CD . 19299 1 732 . 1 1 77 77 ARG N N 15 122.512 0.400 . 1 . . . . . 75 ARG N . 19299 1 733 . 1 1 78 78 SER H H 1 8.259 0.020 . 1 . . . . . 76 SER H . 19299 1 734 . 1 1 78 78 SER HA H 1 4.360 0.020 . 1 . . . . . 76 SER HA . 19299 1 735 . 1 1 78 78 SER HB2 H 1 3.824 0.020 . 2 . . . . . 76 SER HB2 . 19299 1 736 . 1 1 78 78 SER HB3 H 1 3.827 0.020 . 2 . . . . . 76 SER HB3 . 19299 1 737 . 1 1 78 78 SER C C 13 174.462 0.400 . 1 . . . . . 76 SER C . 19299 1 738 . 1 1 78 78 SER CA C 13 58.669 0.400 . 1 . . . . . 76 SER CA . 19299 1 739 . 1 1 78 78 SER CB C 13 63.774 0.400 . 1 . . . . . 76 SER CB . 19299 1 740 . 1 1 78 78 SER N N 15 116.623 0.400 . 1 . . . . . 76 SER N . 19299 1 741 . 1 1 79 79 GLN H H 1 8.352 0.020 . 1 . . . . . 77 GLN H . 19299 1 742 . 1 1 79 79 GLN HA H 1 4.304 0.020 . 1 . . . . . 77 GLN HA . 19299 1 743 . 1 1 79 79 GLN HB2 H 1 1.995 0.020 . 1 . . . . . 77 GLN HB2 . 19299 1 744 . 1 1 79 79 GLN HB3 H 1 1.995 0.020 . 1 . . . . . 77 GLN HB3 . 19299 1 745 . 1 1 79 79 GLN HG2 H 1 2.181 0.020 . 1 . . . . . 77 GLN HG2 . 19299 1 746 . 1 1 79 79 GLN HG3 H 1 2.181 0.020 . 1 . . . . . 77 GLN HG3 . 19299 1 747 . 1 1 79 79 GLN C C 13 175.260 0.400 . 1 . . . . . 77 GLN C . 19299 1 748 . 1 1 79 79 GLN CA C 13 55.846 0.400 . 1 . . . . . 77 GLN CA . 19299 1 749 . 1 1 79 79 GLN CB C 13 29.814 0.400 . 1 . . . . . 77 GLN CB . 19299 1 750 . 1 1 79 79 GLN CG C 13 33.813 0.400 . 1 . . . . . 77 GLN CG . 19299 1 751 . 1 1 79 79 GLN N N 15 121.749 0.400 . 1 . . . . . 77 GLN N . 19299 1 752 . 1 1 80 80 ASN H H 1 8.372 0.020 . 1 . . . . . 78 ASN H . 19299 1 753 . 1 1 80 80 ASN HA H 1 4.902 0.020 . 1 . . . . . 78 ASN HA . 19299 1 754 . 1 1 80 80 ASN HB2 H 1 2.796 0.020 . 2 . . . . . 78 ASN HB2 . 19299 1 755 . 1 1 80 80 ASN HB3 H 1 2.658 0.020 . 2 . . . . . 78 ASN HB3 . 19299 1 756 . 1 1 80 80 ASN C C 13 173.436 0.400 . 1 . . . . . 78 ASN C . 19299 1 757 . 1 1 80 80 ASN CA C 13 51.412 0.400 . 1 . . . . . 78 ASN CA . 19299 1 758 . 1 1 80 80 ASN CB C 13 38.831 0.400 . 1 . . . . . 78 ASN CB . 19299 1 759 . 1 1 80 80 ASN N N 15 120.589 0.400 . 1 . . . . . 78 ASN N . 19299 1 760 . 1 1 81 81 PRO HA H 1 4.361 0.020 . 1 . . . . . 79 PRO HA . 19299 1 761 . 1 1 81 81 PRO HB2 H 1 2.257 0.020 . 2 . . . . . 79 PRO HB2 . 19299 1 762 . 1 1 81 81 PRO HB3 H 1 1.894 0.020 . 2 . . . . . 79 PRO HB3 . 19299 1 763 . 1 1 81 81 PRO HG2 H 1 1.968 0.020 . 1 . . . . . 79 PRO HG2 . 19299 1 764 . 1 1 81 81 PRO HG3 H 1 1.968 0.020 . 1 . . . . . 79 PRO HG3 . 19299 1 765 . 1 1 81 81 PRO HD2 H 1 3.746 0.020 . 2 . . . . . 79 PRO HD2 . 19299 1 766 . 1 1 81 81 PRO HD3 H 1 3.700 0.020 . 2 . . . . . 79 PRO HD3 . 19299 1 767 . 1 1 81 81 PRO C C 13 176.886 0.400 . 1 . . . . . 79 PRO C . 19299 1 768 . 1 1 81 81 PRO CA C 13 63.561 0.400 . 1 . . . . . 79 PRO CA . 19299 1 769 . 1 1 81 81 PRO CB C 13 32.126 0.400 . 1 . . . . . 79 PRO CB . 19299 1 770 . 1 1 81 81 PRO CG C 13 27.202 0.400 . 1 . . . . . 79 PRO CG . 19299 1 771 . 1 1 81 81 PRO CD C 13 50.830 0.400 . 1 . . . . . 79 PRO CD . 19299 1 772 . 1 1 82 82 LEU H H 1 8.130 0.020 . 1 . . . . . 80 LEU H . 19299 1 773 . 1 1 82 82 LEU HA H 1 4.260 0.020 . 1 . . . . . 80 LEU HA . 19299 1 774 . 1 1 82 82 LEU HB2 H 1 1.608 0.020 . 2 . . . . . 80 LEU HB2 . 19299 1 775 . 1 1 82 82 LEU HB3 H 1 1.566 0.020 . 2 . . . . . 80 LEU HB3 . 19299 1 776 . 1 1 82 82 LEU HG H 1 1.541 0.020 . 1 . . . . . 80 LEU HG . 19299 1 777 . 1 1 82 82 LEU HD11 H 1 0.847 0.020 . 2 . . . . . 80 LEU HD11 . 19299 1 778 . 1 1 82 82 LEU HD12 H 1 0.847 0.020 . 2 . . . . . 80 LEU HD12 . 19299 1 779 . 1 1 82 82 LEU HD13 H 1 0.847 0.020 . 2 . . . . . 80 LEU HD13 . 19299 1 780 . 1 1 82 82 LEU HD21 H 1 0.805 0.020 . 2 . . . . . 80 LEU HD21 . 19299 1 781 . 1 1 82 82 LEU HD22 H 1 0.805 0.020 . 2 . . . . . 80 LEU HD22 . 19299 1 782 . 1 1 82 82 LEU HD23 H 1 0.805 0.020 . 2 . . . . . 80 LEU HD23 . 19299 1 783 . 1 1 82 82 LEU C C 13 177.331 0.400 . 1 . . . . . 80 LEU C . 19299 1 784 . 1 1 82 82 LEU CA C 13 55.590 0.400 . 1 . . . . . 80 LEU CA . 19299 1 785 . 1 1 82 82 LEU CB C 13 42.051 0.400 . 1 . . . . . 80 LEU CB . 19299 1 786 . 1 1 82 82 LEU CG C 13 26.983 0.400 . 1 . . . . . 80 LEU CG . 19299 1 787 . 1 1 82 82 LEU CD1 C 13 25.105 0.400 . 1 . . . . . 80 LEU CD1 . 19299 1 788 . 1 1 82 82 LEU CD2 C 13 23.100 0.400 . 1 . . . . . 80 LEU CD2 . 19299 1 789 . 1 1 82 82 LEU N N 15 120.718 0.400 . 1 . . . . . 80 LEU N . 19299 1 790 . 1 1 83 83 LYS H H 1 8.044 0.020 . 1 . . . . . 81 LYS H . 19299 1 791 . 1 1 83 83 LYS HA H 1 4.261 0.020 . 1 . . . . . 81 LYS HA . 19299 1 792 . 1 1 83 83 LYS HB2 H 1 1.703 0.020 . 2 . . . . . 81 LYS HB2 . 19299 1 793 . 1 1 83 83 LYS HB3 H 1 1.795 0.020 . 2 . . . . . 81 LYS HB3 . 19299 1 794 . 1 1 83 83 LYS HG2 H 1 1.382 0.020 . 1 . . . . . 81 LYS HG2 . 19299 1 795 . 1 1 83 83 LYS HG3 H 1 1.382 0.020 . 1 . . . . . 81 LYS HG3 . 19299 1 796 . 1 1 83 83 LYS HD2 H 1 1.634 0.020 . 2 . . . . . 81 LYS HD2 . 19299 1 797 . 1 1 83 83 LYS HD3 H 1 1.632 0.020 . 2 . . . . . 81 LYS HD3 . 19299 1 798 . 1 1 83 83 LYS HE2 H 1 2.945 0.020 . 1 . . . . . 81 LYS HE2 . 19299 1 799 . 1 1 83 83 LYS HE3 H 1 2.945 0.020 . 1 . . . . . 81 LYS HE3 . 19299 1 800 . 1 1 83 83 LYS C C 13 176.162 0.400 . 1 . . . . . 81 LYS C . 19299 1 801 . 1 1 83 83 LYS CA C 13 56.223 0.400 . 1 . . . . . 81 LYS CA . 19299 1 802 . 1 1 83 83 LYS CB C 13 32.670 0.400 . 1 . . . . . 81 LYS CB . 19299 1 803 . 1 1 83 83 LYS CG C 13 24.792 0.400 . 1 . . . . . 81 LYS CG . 19299 1 804 . 1 1 83 83 LYS CD C 13 29.005 0.400 . 1 . . . . . 81 LYS CD . 19299 1 805 . 1 1 83 83 LYS CE C 13 42.141 0.400 . 1 . . . . . 81 LYS CE . 19299 1 806 . 1 1 83 83 LYS N N 15 121.561 0.400 . 1 . . . . . 81 LYS N . 19299 1 807 . 1 1 84 84 ILE H H 1 7.919 0.020 . 1 . . . . . 82 ILE H . 19299 1 808 . 1 1 84 84 ILE HA H 1 4.087 0.020 . 1 . . . . . 82 ILE HA . 19299 1 809 . 1 1 84 84 ILE HB H 1 1.792 0.020 . 1 . . . . . 82 ILE HB . 19299 1 810 . 1 1 84 84 ILE HG12 H 1 1.409 0.020 . 2 . . . . . 82 ILE HG12 . 19299 1 811 . 1 1 84 84 ILE HG13 H 1 1.125 0.020 . 2 . . . . . 82 ILE HG13 . 19299 1 812 . 1 1 84 84 ILE HG21 H 1 0.837 0.020 . 1 . . . . . 82 ILE HG21 . 19299 1 813 . 1 1 84 84 ILE HG22 H 1 0.837 0.020 . 1 . . . . . 82 ILE HG22 . 19299 1 814 . 1 1 84 84 ILE HG23 H 1 0.837 0.020 . 1 . . . . . 82 ILE HG23 . 19299 1 815 . 1 1 84 84 ILE HD11 H 1 0.805 0.020 . 1 . . . . . 82 ILE HD11 . 19299 1 816 . 1 1 84 84 ILE HD12 H 1 0.805 0.020 . 1 . . . . . 82 ILE HD12 . 19299 1 817 . 1 1 84 84 ILE HD13 H 1 0.805 0.020 . 1 . . . . . 82 ILE HD13 . 19299 1 818 . 1 1 84 84 ILE C C 13 175.962 0.400 . 1 . . . . . 82 ILE C . 19299 1 819 . 1 1 84 84 ILE CA C 13 61.237 0.400 . 1 . . . . . 82 ILE CA . 19299 1 820 . 1 1 84 84 ILE CB C 13 38.767 0.400 . 1 . . . . . 82 ILE CB . 19299 1 821 . 1 1 84 84 ILE CG1 C 13 27.277 0.400 . 1 . . . . . 82 ILE CG1 . 19299 1 822 . 1 1 84 84 ILE CG2 C 13 17.430 0.400 . 1 . . . . . 82 ILE CG2 . 19299 1 823 . 1 1 84 84 ILE CD1 C 13 12.849 0.400 . 1 . . . . . 82 ILE CD1 . 19299 1 824 . 1 1 84 84 ILE N N 15 121.662 0.400 . 1 . . . . . 82 ILE N . 19299 1 825 . 1 1 85 85 ARG H H 1 8.320 0.020 . 1 . . . . . 83 ARG H . 19299 1 826 . 1 1 85 85 ARG HA H 1 4.334 0.020 . 1 . . . . . 83 ARG HA . 19299 1 827 . 1 1 85 85 ARG HB2 H 1 1.817 0.020 . 2 . . . . . 83 ARG HB2 . 19299 1 828 . 1 1 85 85 ARG HB3 H 1 1.727 0.020 . 2 . . . . . 83 ARG HB3 . 19299 1 829 . 1 1 85 85 ARG HG2 H 1 1.563 0.020 . 1 . . . . . 83 ARG HG2 . 19299 1 830 . 1 1 85 85 ARG HG3 H 1 1.563 0.020 . 1 . . . . . 83 ARG HG3 . 19299 1 831 . 1 1 85 85 ARG HD2 H 1 3.155 0.020 . 1 . . . . . 83 ARG HD2 . 19299 1 832 . 1 1 85 85 ARG HD3 H 1 3.155 0.020 . 1 . . . . . 83 ARG HD3 . 19299 1 833 . 1 1 85 85 ARG C C 13 175.945 0.400 . 1 . . . . . 83 ARG C . 19299 1 834 . 1 1 85 85 ARG CA C 13 55.839 0.400 . 1 . . . . . 83 ARG CA . 19299 1 835 . 1 1 85 85 ARG CB C 13 30.750 0.400 . 1 . . . . . 83 ARG CB . 19299 1 836 . 1 1 85 85 ARG CG C 13 27.139 0.400 . 1 . . . . . 83 ARG CG . 19299 1 837 . 1 1 85 85 ARG CD C 13 43.280 0.400 . 1 . . . . . 83 ARG CD . 19299 1 838 . 1 1 85 85 ARG N N 15 125.134 0.400 . 1 . . . . . 83 ARG N . 19299 1 839 . 1 1 86 86 LEU H H 1 8.353 0.020 . 1 . . . . . 84 LEU H . 19299 1 840 . 1 1 86 86 LEU HA H 1 4.386 0.020 . 1 . . . . . 84 LEU HA . 19299 1 841 . 1 1 86 86 LEU HB2 H 1 1.561 0.020 . 2 . . . . . 84 LEU HB2 . 19299 1 842 . 1 1 86 86 LEU HB3 H 1 1.621 0.020 . 2 . . . . . 84 LEU HB3 . 19299 1 843 . 1 1 86 86 LEU HG H 1 1.590 0.020 . 1 . . . . . 84 LEU HG . 19299 1 844 . 1 1 86 86 LEU HD11 H 1 0.889 0.020 . 2 . . . . . 84 LEU HD11 . 19299 1 845 . 1 1 86 86 LEU HD12 H 1 0.889 0.020 . 2 . . . . . 84 LEU HD12 . 19299 1 846 . 1 1 86 86 LEU HD13 H 1 0.889 0.020 . 2 . . . . . 84 LEU HD13 . 19299 1 847 . 1 1 86 86 LEU HD21 H 1 0.825 0.020 . 2 . . . . . 84 LEU HD21 . 19299 1 848 . 1 1 86 86 LEU HD22 H 1 0.825 0.020 . 2 . . . . . 84 LEU HD22 . 19299 1 849 . 1 1 86 86 LEU HD23 H 1 0.825 0.020 . 2 . . . . . 84 LEU HD23 . 19299 1 850 . 1 1 86 86 LEU C C 13 177.370 0.400 . 1 . . . . . 84 LEU C . 19299 1 851 . 1 1 86 86 LEU CA C 13 55.305 0.400 . 1 . . . . . 84 LEU CA . 19299 1 852 . 1 1 86 86 LEU CB C 13 42.355 0.400 . 1 . . . . . 84 LEU CB . 19299 1 853 . 1 1 86 86 LEU CG C 13 26.891 0.400 . 1 . . . . . 84 LEU CG . 19299 1 854 . 1 1 86 86 LEU CD1 C 13 24.892 0.400 . 1 . . . . . 84 LEU CD1 . 19299 1 855 . 1 1 86 86 LEU CD2 C 13 23.394 0.400 . 1 . . . . . 84 LEU CD2 . 19299 1 856 . 1 1 86 86 LEU N N 15 124.178 0.400 . 1 . . . . . 84 LEU N . 19299 1 857 . 1 1 87 87 THR H H 1 8.046 0.020 . 1 . . . . . 85 THR H . 19299 1 858 . 1 1 87 87 THR HA H 1 4.317 0.020 . 1 . . . . . 85 THR HA . 19299 1 859 . 1 1 87 87 THR HB H 1 4.176 0.020 . 1 . . . . . 85 THR HB . 19299 1 860 . 1 1 87 87 THR HG21 H 1 1.121 0.020 . 1 . . . . . 85 THR HG21 . 19299 1 861 . 1 1 87 87 THR HG22 H 1 1.121 0.020 . 1 . . . . . 85 THR HG22 . 19299 1 862 . 1 1 87 87 THR HG23 H 1 1.121 0.020 . 1 . . . . . 85 THR HG23 . 19299 1 863 . 1 1 87 87 THR C C 13 174.226 0.400 . 1 . . . . . 85 THR C . 19299 1 864 . 1 1 87 87 THR CA C 13 61.691 0.400 . 1 . . . . . 85 THR CA . 19299 1 865 . 1 1 87 87 THR CB C 13 69.848 0.400 . 1 . . . . . 85 THR CB . 19299 1 866 . 1 1 87 87 THR CG2 C 13 21.629 0.400 . 1 . . . . . 85 THR CG2 . 19299 1 867 . 1 1 87 87 THR N N 15 114.705 0.400 . 1 . . . . . 85 THR N . 19299 1 868 . 1 1 88 88 ARG H H 1 8.285 0.020 . 1 . . . . . 86 ARG H . 19299 1 869 . 1 1 88 88 ARG HA H 1 4.315 0.020 . 1 . . . . . 86 ARG HA . 19299 1 870 . 1 1 88 88 ARG HB2 H 1 1.729 0.020 . 2 . . . . . 86 ARG HB2 . 19299 1 871 . 1 1 88 88 ARG HB3 H 1 1.803 0.020 . 2 . . . . . 86 ARG HB3 . 19299 1 872 . 1 1 88 88 ARG HG2 H 1 1.741 0.020 . 2 . . . . . 86 ARG HG2 . 19299 1 873 . 1 1 88 88 ARG HG3 H 1 1.784 0.020 . 2 . . . . . 86 ARG HG3 . 19299 1 874 . 1 1 88 88 ARG HD2 H 1 3.155 0.020 . 1 . . . . . 86 ARG HD2 . 19299 1 875 . 1 1 88 88 ARG HD3 H 1 3.155 0.020 . 1 . . . . . 86 ARG HD3 . 19299 1 876 . 1 1 88 88 ARG C C 13 175.927 0.400 . 1 . . . . . 86 ARG C . 19299 1 877 . 1 1 88 88 ARG CA C 13 55.982 0.400 . 1 . . . . . 86 ARG CA . 19299 1 878 . 1 1 88 88 ARG CB C 13 30.830 0.400 . 1 . . . . . 86 ARG CB . 19299 1 879 . 1 1 88 88 ARG CG C 13 27.076 0.400 . 1 . . . . . 86 ARG CG . 19299 1 880 . 1 1 88 88 ARG CD C 13 43.354 0.400 . 1 . . . . . 86 ARG CD . 19299 1 881 . 1 1 88 88 ARG N N 15 122.813 0.400 . 1 . . . . . 86 ARG N . 19299 1 882 . 1 1 89 89 GLU H H 1 8.409 0.020 . 1 . . . . . 87 GLU H . 19299 1 883 . 1 1 89 89 GLU HA H 1 4.222 0.020 . 1 . . . . . 87 GLU HA . 19299 1 884 . 1 1 89 89 GLU HB2 H 1 1.996 0.020 . 2 . . . . . 87 GLU HB2 . 19299 1 885 . 1 1 89 89 GLU HB3 H 1 1.874 0.020 . 2 . . . . . 87 GLU HB3 . 19299 1 886 . 1 1 89 89 GLU HG2 H 1 2.219 0.020 . 2 . . . . . 87 GLU HG2 . 19299 1 887 . 1 1 89 89 GLU HG3 H 1 1.935 0.020 . 2 . . . . . 87 GLU HG3 . 19299 1 888 . 1 1 89 89 GLU C C 13 175.571 0.400 . 1 . . . . . 87 GLU C . 19299 1 889 . 1 1 89 89 GLU CA C 13 56.610 0.400 . 1 . . . . . 87 GLU CA . 19299 1 890 . 1 1 89 89 GLU CB C 13 30.346 0.400 . 1 . . . . . 87 GLU CB . 19299 1 891 . 1 1 89 89 GLU N N 15 122.209 0.400 . 1 . . . . . 87 GLU N . 19299 1 892 . 1 1 90 90 ALA H H 1 8.176 0.020 . 1 . . . . . 88 ALA H . 19299 1 893 . 1 1 90 90 ALA HA H 1 4.549 0.020 . 1 . . . . . 88 ALA HA . 19299 1 894 . 1 1 90 90 ALA HB1 H 1 1.320 0.020 . 1 . . . . . 88 ALA HB1 . 19299 1 895 . 1 1 90 90 ALA HB2 H 1 1.320 0.020 . 1 . . . . . 88 ALA HB2 . 19299 1 896 . 1 1 90 90 ALA HB3 H 1 1.320 0.020 . 1 . . . . . 88 ALA HB3 . 19299 1 897 . 1 1 90 90 ALA C C 13 174.397 0.400 . 1 . . . . . 88 ALA C . 19299 1 898 . 1 1 90 90 ALA CA C 13 50.232 0.400 . 1 . . . . . 88 ALA CA . 19299 1 899 . 1 1 90 90 ALA CB C 13 18.412 0.400 . 1 . . . . . 88 ALA CB . 19299 1 900 . 1 1 90 90 ALA N N 15 126.473 0.400 . 1 . . . . . 88 ALA N . 19299 1 stop_ save_