################################### # 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 52226 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CSlist1 _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 '1D 1H' . . . 52226 1 2 '2D 1H-15N HSQC' . . . 52226 1 3 '2D 1H-13C HSQC aliphatic' . . . 52226 1 4 '3D CCH-TOCSY' . . . 52226 1 5 '3D 1H-15N NOESY' . . . 52226 1 6 '3D 1H-13C NOESY aromatic' . . . 52226 1 7 '2D 1H-13C HSQC aromatic' . . . 52226 1 8 '3D HN(CA)CO' . . . 52226 1 9 '3D HBHANH' . . . 52226 1 10 '3D HNCACB' . . . 52226 1 11 '3D 1H-13C NOESY aliphatic' . . . 52226 1 12 '3D HNCO' . . . 52226 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 . . 52226 1 2 $software_2 . . 52226 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 1 1 GLY HA2 H 1 4.105 0.015 . 2 . . . . . 407 GLY HA2 . 52226 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.709 0.016 . 2 . . . . . 407 GLY HA3 . 52226 1 3 . 1 . 1 1 1 GLY CA C 13 45.275 0.045 . 1 . . . . . 407 GLY CA . 52226 1 4 . 1 . 1 2 2 ALA HA H 1 4.205 0.029 . 1 . . . . . 408 ALA HA . 52226 1 5 . 1 . 1 2 2 ALA HB1 H 1 1.282 0.025 . 1 . . . . . 408 ALA HB1 . 52226 1 6 . 1 . 1 2 2 ALA HB2 H 1 1.282 0.025 . 1 . . . . . 408 ALA HB2 . 52226 1 7 . 1 . 1 2 2 ALA HB3 H 1 1.282 0.025 . 1 . . . . . 408 ALA HB3 . 52226 1 8 . 1 . 1 2 2 ALA C C 13 177.631 0.000 . 1 . . . . . 408 ALA C . 52226 1 9 . 1 . 1 2 2 ALA CA C 13 52.516 0.074 . 1 . . . . . 408 ALA CA . 52226 1 10 . 1 . 1 2 2 ALA CB C 13 19.246 0.086 . 1 . . . . . 408 ALA CB . 52226 1 11 . 1 . 1 3 3 MET HE1 H 1 1.850 0.027 . 1 . . . . . 409 MET HE1 . 52226 1 12 . 1 . 1 3 3 MET HE2 H 1 1.850 0.027 . 1 . . . . . 409 MET HE2 . 52226 1 13 . 1 . 1 3 3 MET HE3 H 1 1.850 0.027 . 1 . . . . . 409 MET HE3 . 52226 1 14 . 1 . 1 3 3 MET CE C 13 16.778 0.038 . 1 . . . . . 409 MET CE . 52226 1 15 . 1 . 1 4 4 ALA HA H 1 4.185 0.006 . 1 . . . . . 410 ALA HA . 52226 1 16 . 1 . 1 4 4 ALA HB1 H 1 1.269 0.022 . 1 . . . . . 410 ALA HB1 . 52226 1 17 . 1 . 1 4 4 ALA HB2 H 1 1.269 0.022 . 1 . . . . . 410 ALA HB2 . 52226 1 18 . 1 . 1 4 4 ALA HB3 H 1 1.269 0.022 . 1 . . . . . 410 ALA HB3 . 52226 1 19 . 1 . 1 4 4 ALA C C 13 179.083 0.000 . 1 . . . . . 410 ALA C . 52226 1 20 . 1 . 1 4 4 ALA CA C 13 52.500 0.069 . 1 . . . . . 410 ALA CA . 52226 1 21 . 1 . 1 4 4 ALA CB C 13 19.078 0.065 . 1 . . . . . 410 ALA CB . 52226 1 22 . 1 . 1 5 5 HIS HA H 1 4.714 0.000 . 1 . . . . . 411 HIS HA . 52226 1 23 . 1 . 1 5 5 HIS HD2 H 1 6.910 0.000 . 1 . . . . . 411 HIS HD2 . 52226 1 24 . 1 . 1 5 5 HIS HE1 H 1 7.772 0.116 . 1 . . . . . 411 HIS HE1 . 52226 1 25 . 1 . 1 5 5 HIS HE2 H 1 7.339 0.000 . 1 . . . . . 411 HIS HE2 . 52226 1 26 . 1 . 1 5 5 HIS C C 13 178.292 0.000 . 1 . . . . . 411 HIS C . 52226 1 27 . 1 . 1 5 5 HIS CD2 C 13 120.222 0.000 . 1 . . . . . 411 HIS CD2 . 52226 1 28 . 1 . 1 5 5 HIS CE1 C 13 138.437 0.087 . 1 . . . . . 411 HIS CE1 . 52226 1 29 . 1 . 1 6 6 SER HA H 1 4.308 0.001 . 1 . . . . . 412 SER HA . 52226 1 30 . 1 . 1 6 6 SER HB2 H 1 3.797 0.030 . 2 . . . . . 412 SER HB2 . 52226 1 31 . 1 . 1 6 6 SER HB3 H 1 3.963 0.006 . 2 . . . . . 412 SER HB3 . 52226 1 32 . 1 . 1 6 6 SER C C 13 177.660 0.000 . 1 . . . . . 412 SER C . 52226 1 33 . 1 . 1 6 6 SER CA C 13 58.489 0.174 . 1 . . . . . 412 SER CA . 52226 1 34 . 1 . 1 6 6 SER CB C 13 63.648 0.107 . 1 . . . . . 412 SER CB . 52226 1 35 . 1 . 1 7 7 LYS HA H 1 4.203 0.022 . 1 . . . . . 413 LYS HA . 52226 1 36 . 1 . 1 7 7 LYS HB2 H 1 1.722 0.013 . 2 . . . . . 413 LYS HB2 . 52226 1 37 . 1 . 1 7 7 LYS HB3 H 1 1.721 0.015 . 2 . . . . . 413 LYS HB3 . 52226 1 38 . 1 . 1 7 7 LYS HG2 H 1 1.348 0.021 . 1 . . . . . 413 LYS HG2 . 52226 1 39 . 1 . 1 7 7 LYS HG3 H 1 1.348 0.021 . 1 . . . . . 413 LYS HG3 . 52226 1 40 . 1 . 1 7 7 LYS HD2 H 1 1.581 0.029 . 2 . . . . . 413 LYS HD2 . 52226 1 41 . 1 . 1 7 7 LYS HD3 H 1 1.833 0.021 . 2 . . . . . 413 LYS HD3 . 52226 1 42 . 1 . 1 7 7 LYS HE2 H 1 2.883 0.013 . 2 . . . . . 413 LYS HE2 . 52226 1 43 . 1 . 1 7 7 LYS HE3 H 1 2.897 0.000 . 2 . . . . . 413 LYS HE3 . 52226 1 44 . 1 . 1 7 7 LYS C C 13 176.606 0.000 . 1 . . . . . 413 LYS C . 52226 1 45 . 1 . 1 7 7 LYS CA C 13 56.359 0.077 . 1 . . . . . 413 LYS CA . 52226 1 46 . 1 . 1 7 7 LYS CB C 13 32.538 0.134 . 1 . . . . . 413 LYS CB . 52226 1 47 . 1 . 1 7 7 LYS CG C 13 24.837 0.141 . 1 . . . . . 413 LYS CG . 52226 1 48 . 1 . 1 7 7 LYS CD C 13 28.815 0.192 . 1 . . . . . 413 LYS CD . 52226 1 49 . 1 . 1 7 7 LYS CE C 13 42.112 0.010 . 1 . . . . . 413 LYS CE . 52226 1 50 . 1 . 1 8 8 TYR H H 1 7.912 0.004 . 1 . . . . . 414 TYR H . 52226 1 51 . 1 . 1 8 8 TYR HA H 1 4.168 0.040 . 1 . . . . . 414 TYR HA . 52226 1 52 . 1 . 1 8 8 TYR HB2 H 1 2.657 0.003 . 2 . . . . . 414 TYR HB2 . 52226 1 53 . 1 . 1 8 8 TYR HB3 H 1 2.646 0.010 . 2 . . . . . 414 TYR HB3 . 52226 1 54 . 1 . 1 8 8 TYR HD1 H 1 6.720 0.005 . 1 . . . . . 414 TYR HD1 . 52226 1 55 . 1 . 1 8 8 TYR HD2 H 1 6.713 0.003 . 1 . . . . . 414 TYR HD2 . 52226 1 56 . 1 . 1 8 8 TYR HE1 H 1 6.445 0.009 . 1 . . . . . 414 TYR HE1 . 52226 1 57 . 1 . 1 8 8 TYR HE2 H 1 6.445 0.009 . 1 . . . . . 414 TYR HE2 . 52226 1 58 . 1 . 1 8 8 TYR C C 13 174.105 0.000 . 1 . . . . . 414 TYR C . 52226 1 59 . 1 . 1 8 8 TYR CA C 13 59.223 0.117 . 1 . . . . . 414 TYR CA . 52226 1 60 . 1 . 1 8 8 TYR CB C 13 38.345 0.073 . 1 . . . . . 414 TYR CB . 52226 1 61 . 1 . 1 8 8 TYR CD1 C 13 132.874 0.084 . 1 . . . . . 414 TYR CD1 . 52226 1 62 . 1 . 1 8 8 TYR CD2 C 13 132.874 0.084 . 1 . . . . . 414 TYR CD2 . 52226 1 63 . 1 . 1 8 8 TYR CE1 C 13 117.562 0.153 . 1 . . . . . 414 TYR CE1 . 52226 1 64 . 1 . 1 8 8 TYR CE2 C 13 117.562 0.153 . 1 . . . . . 414 TYR CE2 . 52226 1 65 . 1 . 1 8 8 TYR N N 15 122.820 0.033 . 1 . . . . . 414 TYR N . 52226 1 66 . 1 . 1 9 9 LYS H H 1 7.943 0.021 . 1 . . . . . 415 LYS H . 52226 1 67 . 1 . 1 9 9 LYS HA H 1 3.370 0.007 . 1 . . . . . 415 LYS HA . 52226 1 68 . 1 . 1 9 9 LYS HB2 H 1 1.220 0.009 . 2 . . . . . 415 LYS HB2 . 52226 1 69 . 1 . 1 9 9 LYS HB3 H 1 2.337 0.023 . 2 . . . . . 415 LYS HB3 . 52226 1 70 . 1 . 1 9 9 LYS HG2 H 1 1.450 0.027 . 2 . . . . . 415 LYS HG2 . 52226 1 71 . 1 . 1 9 9 LYS HG3 H 1 1.320 0.039 . 2 . . . . . 415 LYS HG3 . 52226 1 72 . 1 . 1 9 9 LYS HD2 H 1 1.591 0.026 . 1 . . . . . 415 LYS HD2 . 52226 1 73 . 1 . 1 9 9 LYS HD3 H 1 1.591 0.026 . 1 . . . . . 415 LYS HD3 . 52226 1 74 . 1 . 1 9 9 LYS HE2 H 1 2.926 0.034 . 1 . . . . . 415 LYS HE2 . 52226 1 75 . 1 . 1 9 9 LYS HE3 H 1 2.926 0.034 . 1 . . . . . 415 LYS HE3 . 52226 1 76 . 1 . 1 9 9 LYS HZ1 H 1 7.346 0.000 . 1 . . . . . 415 LYS HZ1 . 52226 1 77 . 1 . 1 9 9 LYS HZ2 H 1 7.346 0.000 . 1 . . . . . 415 LYS HZ2 . 52226 1 78 . 1 . 1 9 9 LYS HZ3 H 1 7.346 0.000 . 1 . . . . . 415 LYS HZ3 . 52226 1 79 . 1 . 1 9 9 LYS C C 13 173.229 0.000 . 1 . . . . . 415 LYS C . 52226 1 80 . 1 . 1 9 9 LYS CA C 13 58.041 0.118 . 1 . . . . . 415 LYS CA . 52226 1 81 . 1 . 1 9 9 LYS CB C 13 31.394 0.113 . 1 . . . . . 415 LYS CB . 52226 1 82 . 1 . 1 9 9 LYS CG C 13 25.220 0.097 . 1 . . . . . 415 LYS CG . 52226 1 83 . 1 . 1 9 9 LYS CD C 13 29.702 0.193 . 1 . . . . . 415 LYS CD . 52226 1 84 . 1 . 1 9 9 LYS CE C 13 42.121 0.000 . 1 . . . . . 415 LYS CE . 52226 1 85 . 1 . 1 9 9 LYS N N 15 120.524 0.176 . 1 . . . . . 415 LYS N . 52226 1 86 . 1 . 1 10 10 THR H H 1 7.413 0.016 . 1 . . . . . 416 THR H . 52226 1 87 . 1 . 1 10 10 THR HA H 1 4.206 0.050 . 1 . . . . . 416 THR HA . 52226 1 88 . 1 . 1 10 10 THR HB H 1 4.041 0.035 . 1 . . . . . 416 THR HB . 52226 1 89 . 1 . 1 10 10 THR HG21 H 1 0.908 0.020 . 1 . . . . . 416 THR HG21 . 52226 1 90 . 1 . 1 10 10 THR HG22 H 1 0.908 0.020 . 1 . . . . . 416 THR HG22 . 52226 1 91 . 1 . 1 10 10 THR HG23 H 1 0.908 0.020 . 1 . . . . . 416 THR HG23 . 52226 1 92 . 1 . 1 10 10 THR C C 13 173.479 0.000 . 1 . . . . . 416 THR C . 52226 1 93 . 1 . 1 10 10 THR CA C 13 61.784 0.184 . 1 . . . . . 416 THR CA . 52226 1 94 . 1 . 1 10 10 THR CB C 13 69.076 0.073 . 1 . . . . . 416 THR CB . 52226 1 95 . 1 . 1 10 10 THR CG2 C 13 21.781 0.045 . 1 . . . . . 416 THR CG2 . 52226 1 96 . 1 . 1 10 10 THR N N 15 103.534 0.051 . 1 . . . . . 416 THR N . 52226 1 97 . 1 . 1 11 11 TYR H H 1 7.803 0.024 . 1 . . . . . 417 TYR H . 52226 1 98 . 1 . 1 11 11 TYR HA H 1 4.687 0.019 . 1 . . . . . 417 TYR HA . 52226 1 99 . 1 . 1 11 11 TYR HB2 H 1 2.887 0.025 . 2 . . . . . 417 TYR HB2 . 52226 1 100 . 1 . 1 11 11 TYR HB3 H 1 3.111 0.028 . 2 . . . . . 417 TYR HB3 . 52226 1 101 . 1 . 1 11 11 TYR HD1 H 1 7.155 0.027 . 1 . . . . . 417 TYR HD1 . 52226 1 102 . 1 . 1 11 11 TYR HD2 H 1 7.155 0.027 . 1 . . . . . 417 TYR HD2 . 52226 1 103 . 1 . 1 11 11 TYR HE1 H 1 6.741 0.009 . 1 . . . . . 417 TYR HE1 . 52226 1 104 . 1 . 1 11 11 TYR HE2 H 1 6.719 0.000 . 1 . . . . . 417 TYR HE2 . 52226 1 105 . 1 . 1 11 11 TYR C C 13 175.188 0.000 . 1 . . . . . 417 TYR C . 52226 1 106 . 1 . 1 11 11 TYR CA C 13 56.680 0.133 . 1 . . . . . 417 TYR CA . 52226 1 107 . 1 . 1 11 11 TYR CB C 13 41.563 0.192 . 1 . . . . . 417 TYR CB . 52226 1 108 . 1 . 1 11 11 TYR CD1 C 13 133.455 0.035 . 1 . . . . . 417 TYR CD1 . 52226 1 109 . 1 . 1 11 11 TYR CD2 C 13 133.455 0.035 . 1 . . . . . 417 TYR CD2 . 52226 1 110 . 1 . 1 11 11 TYR CE1 C 13 117.985 0.000 . 1 . . . . . 417 TYR CE1 . 52226 1 111 . 1 . 1 11 11 TYR CE2 C 13 117.985 0.000 . 1 . . . . . 417 TYR CE2 . 52226 1 112 . 1 . 1 11 11 TYR N N 15 119.621 0.127 . 1 . . . . . 417 TYR N . 52226 1 113 . 1 . 1 12 12 MET H H 1 8.883 0.018 . 1 . . . . . 418 MET H . 52226 1 114 . 1 . 1 12 12 MET HA H 1 4.475 0.024 . 1 . . . . . 418 MET HA . 52226 1 115 . 1 . 1 12 12 MET HB2 H 1 1.851 0.016 . 2 . . . . . 418 MET HB2 . 52226 1 116 . 1 . 1 12 12 MET HB3 H 1 1.846 0.000 . 2 . . . . . 418 MET HB3 . 52226 1 117 . 1 . 1 12 12 MET HG2 H 1 2.514 0.043 . 2 . . . . . 418 MET HG2 . 52226 1 118 . 1 . 1 12 12 MET HG3 H 1 2.529 0.043 . 2 . . . . . 418 MET HG3 . 52226 1 119 . 1 . 1 12 12 MET HE1 H 1 1.741 0.028 . 1 . . . . . 418 MET HE1 . 52226 1 120 . 1 . 1 12 12 MET HE2 H 1 1.741 0.028 . 1 . . . . . 418 MET HE2 . 52226 1 121 . 1 . 1 12 12 MET HE3 H 1 1.741 0.028 . 1 . . . . . 418 MET HE3 . 52226 1 122 . 1 . 1 12 12 MET C C 13 175.888 0.000 . 1 . . . . . 418 MET C . 52226 1 123 . 1 . 1 12 12 MET CA C 13 54.304 0.095 . 1 . . . . . 418 MET CA . 52226 1 124 . 1 . 1 12 12 MET CB C 13 31.696 0.163 . 1 . . . . . 418 MET CB . 52226 1 125 . 1 . 1 12 12 MET CG C 13 31.226 0.655 . 1 . . . . . 418 MET CG . 52226 1 126 . 1 . 1 12 12 MET CE C 13 15.998 0.041 . 1 . . . . . 418 MET CE . 52226 1 127 . 1 . 1 12 12 MET N N 15 122.685 0.070 . 1 . . . . . 418 MET N . 52226 1 128 . 1 . 1 13 13 CYS H H 1 8.923 0.011 . 1 . . . . . 419 CYS H . 52226 1 129 . 1 . 1 13 13 CYS HA H 1 3.516 0.034 . 1 . . . . . 419 CYS HA . 52226 1 130 . 1 . 1 13 13 CYS HB2 H 1 2.651 0.021 . 2 . . . . . 419 CYS HB2 . 52226 1 131 . 1 . 1 13 13 CYS HB3 H 1 2.964 0.031 . 2 . . . . . 419 CYS HB3 . 52226 1 132 . 1 . 1 13 13 CYS C C 13 176.332 0.000 . 1 . . . . . 419 CYS C . 52226 1 133 . 1 . 1 13 13 CYS CA C 13 61.133 0.112 . 1 . . . . . 419 CYS CA . 52226 1 134 . 1 . 1 13 13 CYS CB C 13 31.328 0.139 . 1 . . . . . 419 CYS CB . 52226 1 135 . 1 . 1 13 13 CYS N N 15 126.460 0.092 . 1 . . . . . 419 CYS N . 52226 1 136 . 1 . 1 14 14 ARG H H 1 8.493 0.009 . 1 . . . . . 420 ARG H . 52226 1 137 . 1 . 1 14 14 ARG HA H 1 3.985 0.037 . 1 . . . . . 420 ARG HA . 52226 1 138 . 1 . 1 14 14 ARG HB2 H 1 1.585 0.027 . 2 . . . . . 420 ARG HB2 . 52226 1 139 . 1 . 1 14 14 ARG HB3 H 1 1.581 0.000 . 2 . . . . . 420 ARG HB3 . 52226 1 140 . 1 . 1 14 14 ARG HG2 H 1 1.564 0.008 . 1 . . . . . 420 ARG HG2 . 52226 1 141 . 1 . 1 14 14 ARG HG3 H 1 1.564 0.008 . 1 . . . . . 420 ARG HG3 . 52226 1 142 . 1 . 1 14 14 ARG HD2 H 1 3.126 0.017 . 1 . . . . . 420 ARG HD2 . 52226 1 143 . 1 . 1 14 14 ARG HD3 H 1 3.126 0.017 . 1 . . . . . 420 ARG HD3 . 52226 1 144 . 1 . 1 14 14 ARG C C 13 177.475 0.000 . 1 . . . . . 420 ARG C . 52226 1 145 . 1 . 1 14 14 ARG CA C 13 58.192 0.206 . 1 . . . . . 420 ARG CA . 52226 1 146 . 1 . 1 14 14 ARG CB C 13 30.075 0.110 . 1 . . . . . 420 ARG CB . 52226 1 147 . 1 . 1 14 14 ARG CG C 13 26.972 0.176 . 1 . . . . . 420 ARG CG . 52226 1 148 . 1 . 1 14 14 ARG CD C 13 44.166 0.153 . 1 . . . . . 420 ARG CD . 52226 1 149 . 1 . 1 14 14 ARG N N 15 130.114 0.015 . 1 . . . . . 420 ARG N . 52226 1 150 . 1 . 1 15 15 ASP H H 1 8.259 0.010 . 1 . . . . . 421 ASP H . 52226 1 151 . 1 . 1 15 15 ASP HA H 1 4.567 0.031 . 1 . . . . . 421 ASP HA . 52226 1 152 . 1 . 1 15 15 ASP HB2 H 1 2.479 0.015 . 2 . . . . . 421 ASP HB2 . 52226 1 153 . 1 . 1 15 15 ASP HB3 H 1 2.753 0.056 . 2 . . . . . 421 ASP HB3 . 52226 1 154 . 1 . 1 15 15 ASP C C 13 176.543 0.000 . 1 . . . . . 421 ASP C . 52226 1 155 . 1 . 1 15 15 ASP CA C 13 56.685 0.103 . 1 . . . . . 421 ASP CA . 52226 1 156 . 1 . 1 15 15 ASP CB C 13 42.494 0.122 . 1 . . . . . 421 ASP CB . 52226 1 157 . 1 . 1 15 15 ASP N N 15 120.658 0.075 . 1 . . . . . 421 ASP N . 52226 1 158 . 1 . 1 16 16 MET H H 1 7.585 0.025 . 1 . . . . . 422 MET H . 52226 1 159 . 1 . 1 16 16 MET HA H 1 3.951 0.021 . 1 . . . . . 422 MET HA . 52226 1 160 . 1 . 1 16 16 MET HB2 H 1 2.012 0.028 . 2 . . . . . 422 MET HB2 . 52226 1 161 . 1 . 1 16 16 MET HB3 H 1 2.038 0.000 . 2 . . . . . 422 MET HB3 . 52226 1 162 . 1 . 1 16 16 MET HG2 H 1 2.440 0.037 . 2 . . . . . 422 MET HG2 . 52226 1 163 . 1 . 1 16 16 MET HG3 H 1 2.435 0.037 . 2 . . . . . 422 MET HG3 . 52226 1 164 . 1 . 1 16 16 MET HE1 H 1 1.979 0.029 . 1 . . . . . 422 MET HE1 . 52226 1 165 . 1 . 1 16 16 MET HE2 H 1 1.979 0.029 . 1 . . . . . 422 MET HE2 . 52226 1 166 . 1 . 1 16 16 MET HE3 H 1 1.979 0.029 . 1 . . . . . 422 MET HE3 . 52226 1 167 . 1 . 1 16 16 MET C C 13 176.720 0.000 . 1 . . . . . 422 MET C . 52226 1 168 . 1 . 1 16 16 MET CA C 13 58.000 0.226 . 1 . . . . . 422 MET CA . 52226 1 169 . 1 . 1 16 16 MET CB C 13 32.518 0.164 . 1 . . . . . 422 MET CB . 52226 1 170 . 1 . 1 16 16 MET CG C 13 32.052 0.223 . 1 . . . . . 422 MET CG . 52226 1 171 . 1 . 1 16 16 MET CE C 13 16.773 0.097 . 1 . . . . . 422 MET CE . 52226 1 172 . 1 . 1 16 16 MET N N 15 118.015 0.074 . 1 . . . . . 422 MET N . 52226 1 173 . 1 . 1 17 17 LYS H H 1 7.648 0.004 . 1 . . . . . 423 LYS H . 52226 1 174 . 1 . 1 17 17 LYS HA H 1 4.222 0.011 . 1 . . . . . 423 LYS HA . 52226 1 175 . 1 . 1 17 17 LYS HB2 H 1 1.785 0.014 . 2 . . . . . 423 LYS HB2 . 52226 1 176 . 1 . 1 17 17 LYS HB3 H 1 1.884 0.012 . 2 . . . . . 423 LYS HB3 . 52226 1 177 . 1 . 1 17 17 LYS HG2 H 1 1.378 0.004 . 2 . . . . . 423 LYS HG2 . 52226 1 178 . 1 . 1 17 17 LYS HG3 H 1 1.602 0.012 . 2 . . . . . 423 LYS HG3 . 52226 1 179 . 1 . 1 17 17 LYS HD2 H 1 1.705 0.000 . 1 . . . . . 423 LYS HD2 . 52226 1 180 . 1 . 1 17 17 LYS HD3 H 1 1.705 0.000 . 1 . . . . . 423 LYS HD3 . 52226 1 181 . 1 . 1 17 17 LYS HE2 H 1 2.891 0.000 . 1 . . . . . 423 LYS HE2 . 52226 1 182 . 1 . 1 17 17 LYS HE3 H 1 2.891 0.000 . 1 . . . . . 423 LYS HE3 . 52226 1 183 . 1 . 1 17 17 LYS C C 13 176.996 0.000 . 1 . . . . . 423 LYS C . 52226 1 184 . 1 . 1 17 17 LYS CA C 13 56.505 0.184 . 1 . . . . . 423 LYS CA . 52226 1 185 . 1 . 1 17 17 LYS CB C 13 32.315 0.161 . 1 . . . . . 423 LYS CB . 52226 1 186 . 1 . 1 17 17 LYS CG C 13 24.840 0.108 . 1 . . . . . 423 LYS CG . 52226 1 187 . 1 . 1 17 17 LYS CD C 13 28.929 0.000 . 1 . . . . . 423 LYS CD . 52226 1 188 . 1 . 1 17 17 LYS CE C 13 42.105 0.000 . 1 . . . . . 423 LYS CE . 52226 1 189 . 1 . 1 17 17 LYS N N 15 116.980 0.039 . 1 . . . . . 423 LYS N . 52226 1 190 . 1 . 1 18 18 GLN H H 1 7.527 0.006 . 1 . . . . . 424 GLN H . 52226 1 191 . 1 . 1 18 18 GLN HA H 1 4.273 0.035 . 1 . . . . . 424 GLN HA . 52226 1 192 . 1 . 1 18 18 GLN HB2 H 1 2.049 0.009 . 2 . . . . . 424 GLN HB2 . 52226 1 193 . 1 . 1 18 18 GLN HB3 H 1 1.938 0.021 . 2 . . . . . 424 GLN HB3 . 52226 1 194 . 1 . 1 18 18 GLN HG2 H 1 2.339 0.027 . 1 . . . . . 424 GLN HG2 . 52226 1 195 . 1 . 1 18 18 GLN HG3 H 1 2.339 0.027 . 1 . . . . . 424 GLN HG3 . 52226 1 196 . 1 . 1 18 18 GLN HE21 H 1 7.447 0.002 . 1 . . . . . 424 GLN HE21 . 52226 1 197 . 1 . 1 18 18 GLN HE22 H 1 6.819 0.002 . 1 . . . . . 424 GLN HE22 . 52226 1 198 . 1 . 1 18 18 GLN C C 13 175.416 0.000 . 1 . . . . . 424 GLN C . 52226 1 199 . 1 . 1 18 18 GLN CA C 13 55.948 0.239 . 1 . . . . . 424 GLN CA . 52226 1 200 . 1 . 1 18 18 GLN CB C 13 29.337 0.081 . 1 . . . . . 424 GLN CB . 52226 1 201 . 1 . 1 18 18 GLN CG C 13 33.475 0.221 . 1 . . . . . 424 GLN CG . 52226 1 202 . 1 . 1 18 18 GLN N N 15 117.934 0.054 . 1 . . . . . 424 GLN N . 52226 1 203 . 1 . 1 18 18 GLN NE2 N 15 111.753 0.008 . 1 . . . . . 424 GLN NE2 . 52226 1 204 . 1 . 1 19 19 ARG H H 1 7.905 0.001 . 1 . . . . . 425 ARG H . 52226 1 205 . 1 . 1 19 19 ARG HA H 1 3.932 0.023 . 1 . . . . . 425 ARG HA . 52226 1 206 . 1 . 1 19 19 ARG HB2 H 1 1.792 0.043 . 2 . . . . . 425 ARG HB2 . 52226 1 207 . 1 . 1 19 19 ARG HB3 H 1 1.793 0.046 . 2 . . . . . 425 ARG HB3 . 52226 1 208 . 1 . 1 19 19 ARG HG2 H 1 1.485 0.027 . 1 . . . . . 425 ARG HG2 . 52226 1 209 . 1 . 1 19 19 ARG HG3 H 1 1.485 0.027 . 1 . . . . . 425 ARG HG3 . 52226 1 210 . 1 . 1 19 19 ARG HD2 H 1 3.025 0.004 . 1 . . . . . 425 ARG HD2 . 52226 1 211 . 1 . 1 19 19 ARG HD3 H 1 3.025 0.004 . 1 . . . . . 425 ARG HD3 . 52226 1 212 . 1 . 1 19 19 ARG C C 13 180.978 0.000 . 1 . . . . . 425 ARG C . 52226 1 213 . 1 . 1 19 19 ARG CA C 13 58.720 0.180 . 1 . . . . . 425 ARG CA . 52226 1 214 . 1 . 1 19 19 ARG CB C 13 30.256 0.196 . 1 . . . . . 425 ARG CB . 52226 1 215 . 1 . 1 19 19 ARG CG C 13 27.809 0.241 . 1 . . . . . 425 ARG CG . 52226 1 216 . 1 . 1 19 19 ARG CD C 13 43.460 0.140 . 1 . . . . . 425 ARG CD . 52226 1 217 . 1 . 1 19 19 ARG N N 15 127.844 0.008 . 1 . . . . . 425 ARG N . 52226 1 218 . 1 . 1 20 20 GLY H H 1 8.045 0.354 . 1 . . . . . 426 GLY H . 52226 1 219 . 1 . 1 20 20 GLY HA2 H 1 4.078 0.016 . 2 . . . . . 426 GLY HA2 . 52226 1 220 . 1 . 1 20 20 GLY HA3 H 1 3.752 0.032 . 2 . . . . . 426 GLY HA3 . 52226 1 221 . 1 . 1 20 20 GLY C C 13 174.419 0.000 . 1 . . . . . 426 GLY C . 52226 1 222 . 1 . 1 20 20 GLY CA C 13 45.267 0.117 . 1 . . . . . 426 GLY CA . 52226 1 223 . 1 . 1 20 20 GLY N N 15 112.340 0.000 . 1 . . . . . 426 GLY N . 52226 1 224 . 1 . 1 21 21 GLY H H 1 7.889 0.006 . 1 . . . . . 427 GLY H . 52226 1 225 . 1 . 1 21 21 GLY HA2 H 1 3.823 0.026 . 2 . . . . . 427 GLY HA2 . 52226 1 226 . 1 . 1 21 21 GLY HA3 H 1 3.894 0.018 . 2 . . . . . 427 GLY HA3 . 52226 1 227 . 1 . 1 21 21 GLY C C 13 171.610 0.000 . 1 . . . . . 427 GLY C . 52226 1 228 . 1 . 1 21 21 GLY CA C 13 44.294 0.099 . 1 . . . . . 427 GLY CA . 52226 1 229 . 1 . 1 21 21 GLY N N 15 108.204 0.051 . 1 . . . . . 427 GLY N . 52226 1 230 . 1 . 1 22 22 CYS H H 1 8.234 0.002 . 1 . . . . . 428 CYS H . 52226 1 231 . 1 . 1 22 22 CYS HA H 1 4.422 0.006 . 1 . . . . . 428 CYS HA . 52226 1 232 . 1 . 1 22 22 CYS HB2 H 1 2.553 0.021 . 2 . . . . . 428 CYS HB2 . 52226 1 233 . 1 . 1 22 22 CYS HB3 H 1 2.673 0.017 . 2 . . . . . 428 CYS HB3 . 52226 1 234 . 1 . 1 22 22 CYS C C 13 176.391 0.000 . 1 . . . . . 428 CYS C . 52226 1 235 . 1 . 1 22 22 CYS CA C 13 56.460 0.072 . 1 . . . . . 428 CYS CA . 52226 1 236 . 1 . 1 22 22 CYS CB C 13 30.649 0.162 . 1 . . . . . 428 CYS CB . 52226 1 237 . 1 . 1 22 22 CYS N N 15 121.917 0.044 . 1 . . . . . 428 CYS N . 52226 1 238 . 1 . 1 23 23 PRO HA H 1 4.449 0.018 . 1 . . . . . 429 PRO HA . 52226 1 239 . 1 . 1 23 23 PRO HB2 H 1 2.201 0.027 . 2 . . . . . 429 PRO HB2 . 52226 1 240 . 1 . 1 23 23 PRO HB3 H 1 1.973 0.021 . 2 . . . . . 429 PRO HB3 . 52226 1 241 . 1 . 1 23 23 PRO HG2 H 1 1.878 0.039 . 2 . . . . . 429 PRO HG2 . 52226 1 242 . 1 . 1 23 23 PRO HG3 H 1 2.223 0.005 . 2 . . . . . 429 PRO HG3 . 52226 1 243 . 1 . 1 23 23 PRO HD2 H 1 3.995 0.028 . 2 . . . . . 429 PRO HD2 . 52226 1 244 . 1 . 1 23 23 PRO HD3 H 1 3.789 0.009 . 2 . . . . . 429 PRO HD3 . 52226 1 245 . 1 . 1 23 23 PRO C C 13 177.526 0.000 . 1 . . . . . 429 PRO C . 52226 1 246 . 1 . 1 23 23 PRO CA C 13 64.152 0.079 . 1 . . . . . 429 PRO CA . 52226 1 247 . 1 . 1 23 23 PRO CB C 13 32.103 0.107 . 1 . . . . . 429 PRO CB . 52226 1 248 . 1 . 1 23 23 PRO CG C 13 26.742 0.070 . 1 . . . . . 429 PRO CG . 52226 1 249 . 1 . 1 23 23 PRO CD C 13 51.477 0.060 . 1 . . . . . 429 PRO CD . 52226 1 250 . 1 . 1 24 24 ARG H H 1 8.556 0.005 . 1 . . . . . 430 ARG H . 52226 1 251 . 1 . 1 24 24 ARG HA H 1 4.205 0.026 . 1 . . . . . 430 ARG HA . 52226 1 252 . 1 . 1 24 24 ARG HB2 H 1 1.576 0.015 . 2 . . . . . 430 ARG HB2 . 52226 1 253 . 1 . 1 24 24 ARG HB3 H 1 1.785 0.020 . 2 . . . . . 430 ARG HB3 . 52226 1 254 . 1 . 1 24 24 ARG HG2 H 1 1.562 0.005 . 1 . . . . . 430 ARG HG2 . 52226 1 255 . 1 . 1 24 24 ARG HG3 H 1 1.562 0.005 . 1 . . . . . 430 ARG HG3 . 52226 1 256 . 1 . 1 24 24 ARG HD2 H 1 3.130 0.015 . 2 . . . . . 430 ARG HD2 . 52226 1 257 . 1 . 1 24 24 ARG HD3 H 1 3.114 0.000 . 2 . . . . . 430 ARG HD3 . 52226 1 258 . 1 . 1 24 24 ARG C C 13 177.712 0.000 . 1 . . . . . 430 ARG C . 52226 1 259 . 1 . 1 24 24 ARG CA C 13 57.338 0.000 . 1 . . . . . 430 ARG CA . 52226 1 260 . 1 . 1 24 24 ARG CB C 13 30.873 0.090 . 1 . . . . . 430 ARG CB . 52226 1 261 . 1 . 1 24 24 ARG CG C 13 27.389 0.182 . 1 . . . . . 430 ARG CG . 52226 1 262 . 1 . 1 24 24 ARG CD C 13 43.123 0.193 . 1 . . . . . 430 ARG CD . 52226 1 263 . 1 . 1 24 24 ARG N N 15 120.964 0.055 . 1 . . . . . 430 ARG N . 52226 1 264 . 1 . 1 25 25 GLY H H 1 7.753 0.005 . 1 . . . . . 431 GLY H . 52226 1 265 . 1 . 1 25 25 GLY HA2 H 1 3.870 0.016 . 2 . . . . . 431 GLY HA2 . 52226 1 266 . 1 . 1 25 25 GLY HA3 H 1 3.871 0.010 . 2 . . . . . 431 GLY HA3 . 52226 1 267 . 1 . 1 25 25 GLY C C 13 175.844 0.000 . 1 . . . . . 431 GLY C . 52226 1 268 . 1 . 1 25 25 GLY CA C 13 46.980 0.093 . 1 . . . . . 431 GLY CA . 52226 1 269 . 1 . 1 25 25 GLY N N 15 109.415 0.036 . 1 . . . . . 431 GLY N . 52226 1 270 . 1 . 1 26 26 ALA H H 1 9.265 0.020 . 1 . . . . . 432 ALA H . 52226 1 271 . 1 . 1 26 26 ALA HA H 1 4.175 0.017 . 1 . . . . . 432 ALA HA . 52226 1 272 . 1 . 1 26 26 ALA HB1 H 1 1.440 0.005 . 1 . . . . . 432 ALA HB1 . 52226 1 273 . 1 . 1 26 26 ALA HB2 H 1 1.440 0.005 . 1 . . . . . 432 ALA HB2 . 52226 1 274 . 1 . 1 26 26 ALA HB3 H 1 1.440 0.005 . 1 . . . . . 432 ALA HB3 . 52226 1 275 . 1 . 1 26 26 ALA C C 13 178.259 0.000 . 1 . . . . . 432 ALA C . 52226 1 276 . 1 . 1 26 26 ALA CA C 13 54.024 0.092 . 1 . . . . . 432 ALA CA . 52226 1 277 . 1 . 1 26 26 ALA CB C 13 18.322 0.057 . 1 . . . . . 432 ALA CB . 52226 1 278 . 1 . 1 26 26 ALA N N 15 117.702 0.023 . 1 . . . . . 432 ALA N . 52226 1 279 . 1 . 1 27 27 SER H H 1 7.967 0.010 . 1 . . . . . 433 SER H . 52226 1 280 . 1 . 1 27 27 SER HA H 1 4.431 0.011 . 1 . . . . . 433 SER HA . 52226 1 281 . 1 . 1 27 27 SER HB2 H 1 3.862 0.053 . 2 . . . . . 433 SER HB2 . 52226 1 282 . 1 . 1 27 27 SER HB3 H 1 3.754 0.021 . 2 . . . . . 433 SER HB3 . 52226 1 283 . 1 . 1 27 27 SER C C 13 173.731 0.000 . 1 . . . . . 433 SER C . 52226 1 284 . 1 . 1 27 27 SER CA C 13 58.489 0.082 . 1 . . . . . 433 SER CA . 52226 1 285 . 1 . 1 27 27 SER CB C 13 63.681 0.058 . 1 . . . . . 433 SER CB . 52226 1 286 . 1 . 1 27 27 SER N N 15 111.688 0.037 . 1 . . . . . 433 SER N . 52226 1 287 . 1 . 1 28 28 CYS H H 1 7.499 0.013 . 1 . . . . . 434 CYS H . 52226 1 288 . 1 . 1 28 28 CYS HA H 1 3.990 0.302 . 1 . . . . . 434 CYS HA . 52226 1 289 . 1 . 1 28 28 CYS HB2 H 1 2.728 0.107 . 2 . . . . . 434 CYS HB2 . 52226 1 290 . 1 . 1 28 28 CYS HB3 H 1 2.910 0.150 . 2 . . . . . 434 CYS HB3 . 52226 1 291 . 1 . 1 28 28 CYS C C 13 176.212 0.000 . 1 . . . . . 434 CYS C . 52226 1 292 . 1 . 1 28 28 CYS CA C 13 61.387 2.254 . 1 . . . . . 434 CYS CA . 52226 1 293 . 1 . 1 28 28 CYS CB C 13 31.120 0.154 . 1 . . . . . 434 CYS CB . 52226 1 294 . 1 . 1 28 28 CYS N N 15 124.984 0.158 . 1 . . . . . 434 CYS N . 52226 1 295 . 1 . 1 29 29 THR H H 1 7.979 0.010 . 1 . . . . . 435 THR H . 52226 1 296 . 1 . 1 29 29 THR HA H 1 4.132 0.009 . 1 . . . . . 435 THR HA . 52226 1 297 . 1 . 1 29 29 THR HB H 1 4.363 0.016 . 1 . . . . . 435 THR HB . 52226 1 298 . 1 . 1 29 29 THR HG1 H 1 1.058 0.000 . 1 . . . . . 435 THR HG1 . 52226 1 299 . 1 . 1 29 29 THR HG21 H 1 1.160 0.028 . 1 . . . . . 435 THR HG21 . 52226 1 300 . 1 . 1 29 29 THR HG22 H 1 1.160 0.028 . 1 . . . . . 435 THR HG22 . 52226 1 301 . 1 . 1 29 29 THR HG23 H 1 1.160 0.028 . 1 . . . . . 435 THR HG23 . 52226 1 302 . 1 . 1 29 29 THR C C 13 173.058 0.000 . 1 . . . . . 435 THR C . 52226 1 303 . 1 . 1 29 29 THR CA C 13 62.075 0.071 . 1 . . . . . 435 THR CA . 52226 1 304 . 1 . 1 29 29 THR CB C 13 68.600 0.153 . 1 . . . . . 435 THR CB . 52226 1 305 . 1 . 1 29 29 THR CG2 C 13 21.614 0.108 . 1 . . . . . 435 THR CG2 . 52226 1 306 . 1 . 1 29 29 THR N N 15 117.211 0.046 . 1 . . . . . 435 THR N . 52226 1 307 . 1 . 1 30 30 PHE H H 1 8.974 0.018 . 1 . . . . . 436 PHE H . 52226 1 308 . 1 . 1 30 30 PHE HA H 1 4.718 0.019 . 1 . . . . . 436 PHE HA . 52226 1 309 . 1 . 1 30 30 PHE HB2 H 1 3.065 0.019 . 2 . . . . . 436 PHE HB2 . 52226 1 310 . 1 . 1 30 30 PHE HB3 H 1 3.051 0.012 . 2 . . . . . 436 PHE HB3 . 52226 1 311 . 1 . 1 30 30 PHE HD1 H 1 7.377 0.027 . 1 . . . . . 436 PHE HD1 . 52226 1 312 . 1 . 1 30 30 PHE HD2 H 1 7.355 0.023 . 1 . . . . . 436 PHE HD2 . 52226 1 313 . 1 . 1 30 30 PHE HE1 H 1 7.198 0.023 . 1 . . . . . 436 PHE HE1 . 52226 1 314 . 1 . 1 30 30 PHE HE2 H 1 7.181 0.000 . 1 . . . . . 436 PHE HE2 . 52226 1 315 . 1 . 1 30 30 PHE HZ H 1 7.300 0.011 . 1 . . . . . 436 PHE HZ . 52226 1 316 . 1 . 1 30 30 PHE C C 13 174.780 0.000 . 1 . . . . . 436 PHE C . 52226 1 317 . 1 . 1 30 30 PHE CA C 13 57.022 0.146 . 1 . . . . . 436 PHE CA . 52226 1 318 . 1 . 1 30 30 PHE CB C 13 39.570 0.070 . 1 . . . . . 436 PHE CB . 52226 1 319 . 1 . 1 30 30 PHE CD1 C 13 132.270 0.155 . 1 . . . . . 436 PHE CD1 . 52226 1 320 . 1 . 1 30 30 PHE CD2 C 13 132.270 0.155 . 1 . . . . . 436 PHE CD2 . 52226 1 321 . 1 . 1 30 30 PHE CE1 C 13 130.080 0.000 . 1 . . . . . 436 PHE CE1 . 52226 1 322 . 1 . 1 30 30 PHE CE2 C 13 130.080 0.000 . 1 . . . . . 436 PHE CE2 . 52226 1 323 . 1 . 1 30 30 PHE CZ C 13 129.233 0.085 . 1 . . . . . 436 PHE CZ . 52226 1 324 . 1 . 1 30 30 PHE N N 15 123.748 0.040 . 1 . . . . . 436 PHE N . 52226 1 325 . 1 . 1 31 31 ALA H H 1 8.891 0.010 . 1 . . . . . 437 ALA H . 52226 1 326 . 1 . 1 31 31 ALA HA H 1 4.142 0.027 . 1 . . . . . 437 ALA HA . 52226 1 327 . 1 . 1 31 31 ALA HB1 H 1 1.385 0.023 . 1 . . . . . 437 ALA HB1 . 52226 1 328 . 1 . 1 31 31 ALA HB2 H 1 1.385 0.023 . 1 . . . . . 437 ALA HB2 . 52226 1 329 . 1 . 1 31 31 ALA HB3 H 1 1.385 0.023 . 1 . . . . . 437 ALA HB3 . 52226 1 330 . 1 . 1 31 31 ALA C C 13 177.984 0.000 . 1 . . . . . 437 ALA C . 52226 1 331 . 1 . 1 31 31 ALA CA C 13 52.375 0.084 . 1 . . . . . 437 ALA CA . 52226 1 332 . 1 . 1 31 31 ALA CB C 13 20.013 0.045 . 1 . . . . . 437 ALA CB . 52226 1 333 . 1 . 1 31 31 ALA N N 15 122.717 0.056 . 1 . . . . . 437 ALA N . 52226 1 334 . 1 . 1 32 32 HIS H H 1 9.261 0.014 . 1 . . . . . 438 HIS H . 52226 1 335 . 1 . 1 32 32 HIS HA H 1 5.112 0.000 . 1 . . . . . 438 HIS HA . 52226 1 336 . 1 . 1 32 32 HIS HB2 H 1 2.955 0.013 . 2 . . . . . 438 HIS HB2 . 52226 1 337 . 1 . 1 32 32 HIS HB3 H 1 3.482 0.012 . 2 . . . . . 438 HIS HB3 . 52226 1 338 . 1 . 1 32 32 HIS HD1 H 1 7.526 0.030 . 1 . . . . . 438 HIS HD1 . 52226 1 339 . 1 . 1 32 32 HIS HD2 H 1 6.798 0.014 . 1 . . . . . 438 HIS HD2 . 52226 1 340 . 1 . 1 32 32 HIS HE1 H 1 7.856 0.074 . 1 . . . . . 438 HIS HE1 . 52226 1 341 . 1 . 1 32 32 HIS C C 13 173.948 0.000 . 1 . . . . . 438 HIS C . 52226 1 342 . 1 . 1 32 32 HIS CA C 13 54.896 0.156 . 1 . . . . . 438 HIS CA . 52226 1 343 . 1 . 1 32 32 HIS CB C 13 29.857 0.086 . 1 . . . . . 438 HIS CB . 52226 1 344 . 1 . 1 32 32 HIS CD2 C 13 124.844 0.019 . 1 . . . . . 438 HIS CD2 . 52226 1 345 . 1 . 1 32 32 HIS CE1 C 13 139.563 0.055 . 1 . . . . . 438 HIS CE1 . 52226 1 346 . 1 . 1 32 32 HIS N N 15 117.642 0.048 . 1 . . . . . 438 HIS N . 52226 1 347 . 1 . 1 33 33 SER H H 1 7.576 0.009 . 1 . . . . . 439 SER H . 52226 1 348 . 1 . 1 33 33 SER HA H 1 4.555 0.017 . 1 . . . . . 439 SER HA . 52226 1 349 . 1 . 1 33 33 SER HB2 H 1 4.139 0.029 . 2 . . . . . 439 SER HB2 . 52226 1 350 . 1 . 1 33 33 SER HB3 H 1 4.217 0.033 . 2 . . . . . 439 SER HB3 . 52226 1 351 . 1 . 1 33 33 SER C C 13 173.819 0.000 . 1 . . . . . 439 SER C . 52226 1 352 . 1 . 1 33 33 SER CA C 13 57.115 0.142 . 1 . . . . . 439 SER CA . 52226 1 353 . 1 . 1 33 33 SER CB C 13 65.577 0.074 . 1 . . . . . 439 SER CB . 52226 1 354 . 1 . 1 33 33 SER N N 15 110.572 0.046 . 1 . . . . . 439 SER N . 52226 1 355 . 1 . 1 34 34 GLN H H 1 8.091 0.019 . 1 . . . . . 440 GLN H . 52226 1 356 . 1 . 1 34 34 GLN HA H 1 3.926 0.043 . 1 . . . . . 440 GLN HA . 52226 1 357 . 1 . 1 34 34 GLN HB2 H 1 2.080 0.025 . 2 . . . . . 440 GLN HB2 . 52226 1 358 . 1 . 1 34 34 GLN HB3 H 1 1.995 0.017 . 2 . . . . . 440 GLN HB3 . 52226 1 359 . 1 . 1 34 34 GLN HG2 H 1 2.350 0.027 . 1 . . . . . 440 GLN HG2 . 52226 1 360 . 1 . 1 34 34 GLN HG3 H 1 2.350 0.027 . 1 . . . . . 440 GLN HG3 . 52226 1 361 . 1 . 1 34 34 GLN HE21 H 1 6.656 0.001 . 1 . . . . . 440 GLN HE21 . 52226 1 362 . 1 . 1 34 34 GLN HE22 H 1 7.741 0.003 . 1 . . . . . 440 GLN HE22 . 52226 1 363 . 1 . 1 34 34 GLN C C 13 177.531 0.020 . 1 . . . . . 440 GLN C . 52226 1 364 . 1 . 1 34 34 GLN CA C 13 58.934 0.224 . 1 . . . . . 440 GLN CA . 52226 1 365 . 1 . 1 34 34 GLN CB C 13 27.602 0.077 . 1 . . . . . 440 GLN CB . 52226 1 366 . 1 . 1 34 34 GLN CG C 13 33.025 0.090 . 1 . . . . . 440 GLN CG . 52226 1 367 . 1 . 1 34 34 GLN N N 15 119.346 0.146 . 1 . . . . . 440 GLN N . 52226 1 368 . 1 . 1 34 34 GLN NE2 N 15 111.910 0.013 . 1 . . . . . 440 GLN NE2 . 52226 1 369 . 1 . 1 35 35 GLU H H 1 8.750 0.007 . 1 . . . . . 441 GLU H . 52226 1 370 . 1 . 1 35 35 GLU HA H 1 3.974 0.032 . 1 . . . . . 441 GLU HA . 52226 1 371 . 1 . 1 35 35 GLU HB2 H 1 1.984 0.048 . 1 . . . . . 441 GLU HB2 . 52226 1 372 . 1 . 1 35 35 GLU HB3 H 1 1.984 0.048 . 1 . . . . . 441 GLU HB3 . 52226 1 373 . 1 . 1 35 35 GLU HG2 H 1 2.238 0.011 . 2 . . . . . 441 GLU HG2 . 52226 1 374 . 1 . 1 35 35 GLU HG3 H 1 2.474 0.010 . 2 . . . . . 441 GLU HG3 . 52226 1 375 . 1 . 1 35 35 GLU C C 13 179.244 0.000 . 1 . . . . . 441 GLU C . 52226 1 376 . 1 . 1 35 35 GLU CA C 13 59.867 0.176 . 1 . . . . . 441 GLU CA . 52226 1 377 . 1 . 1 35 35 GLU CB C 13 29.149 0.206 . 1 . . . . . 441 GLU CB . 52226 1 378 . 1 . 1 35 35 GLU CG C 13 37.858 0.063 . 1 . . . . . 441 GLU CG . 52226 1 379 . 1 . 1 35 35 GLU N N 15 119.104 0.042 . 1 . . . . . 441 GLU N . 52226 1 380 . 1 . 1 36 36 GLU H H 1 7.905 0.022 . 1 . . . . . 442 GLU H . 52226 1 381 . 1 . 1 36 36 GLU HA H 1 3.997 0.035 . 1 . . . . . 442 GLU HA . 52226 1 382 . 1 . 1 36 36 GLU HB2 H 1 2.112 0.009 . 2 . . . . . 442 GLU HB2 . 52226 1 383 . 1 . 1 36 36 GLU HB3 H 1 2.115 0.009 . 2 . . . . . 442 GLU HB3 . 52226 1 384 . 1 . 1 36 36 GLU HG2 H 1 2.116 0.000 . 2 . . . . . 442 GLU HG2 . 52226 1 385 . 1 . 1 36 36 GLU HG3 H 1 2.468 0.015 . 2 . . . . . 442 GLU HG3 . 52226 1 386 . 1 . 1 36 36 GLU C C 13 177.086 0.000 . 1 . . . . . 442 GLU C . 52226 1 387 . 1 . 1 36 36 GLU CA C 13 59.865 0.109 . 1 . . . . . 442 GLU CA . 52226 1 388 . 1 . 1 36 36 GLU CB C 13 30.970 0.062 . 1 . . . . . 442 GLU CB . 52226 1 389 . 1 . 1 36 36 GLU CG C 13 37.881 0.053 . 1 . . . . . 442 GLU CG . 52226 1 390 . 1 . 1 36 36 GLU N N 15 120.860 0.118 . 1 . . . . . 442 GLU N . 52226 1 391 . 1 . 1 37 37 LEU H H 1 7.756 0.017 . 1 . . . . . 443 LEU H . 52226 1 392 . 1 . 1 37 37 LEU HA H 1 4.141 0.008 . 1 . . . . . 443 LEU HA . 52226 1 393 . 1 . 1 37 37 LEU HB2 H 1 1.742 0.145 . 2 . . . . . 443 LEU HB2 . 52226 1 394 . 1 . 1 37 37 LEU HB3 H 1 1.623 0.163 . 2 . . . . . 443 LEU HB3 . 52226 1 395 . 1 . 1 37 37 LEU HG H 1 1.576 0.030 . 1 . . . . . 443 LEU HG . 52226 1 396 . 1 . 1 37 37 LEU HD11 H 1 0.670 0.034 . 2 . . . . . 443 LEU HD11 . 52226 1 397 . 1 . 1 37 37 LEU HD12 H 1 0.670 0.034 . 2 . . . . . 443 LEU HD12 . 52226 1 398 . 1 . 1 37 37 LEU HD13 H 1 0.670 0.034 . 2 . . . . . 443 LEU HD13 . 52226 1 399 . 1 . 1 37 37 LEU HD21 H 1 0.732 0.022 . 2 . . . . . 443 LEU HD21 . 52226 1 400 . 1 . 1 37 37 LEU HD22 H 1 0.732 0.022 . 2 . . . . . 443 LEU HD22 . 52226 1 401 . 1 . 1 37 37 LEU HD23 H 1 0.732 0.022 . 2 . . . . . 443 LEU HD23 . 52226 1 402 . 1 . 1 37 37 LEU C C 13 179.109 0.000 . 1 . . . . . 443 LEU C . 52226 1 403 . 1 . 1 37 37 LEU CA C 13 57.899 0.080 . 1 . . . . . 443 LEU CA . 52226 1 404 . 1 . 1 37 37 LEU CB C 13 42.452 0.100 . 1 . . . . . 443 LEU CB . 52226 1 405 . 1 . 1 37 37 LEU CG C 13 26.818 0.268 . 1 . . . . . 443 LEU CG . 52226 1 406 . 1 . 1 37 37 LEU CD1 C 13 24.994 0.232 . 2 . . . . . 443 LEU CD1 . 52226 1 407 . 1 . 1 37 37 LEU CD2 C 13 25.489 0.090 . 2 . . . . . 443 LEU CD2 . 52226 1 408 . 1 . 1 37 37 LEU N N 15 120.083 0.128 . 1 . . . . . 443 LEU N . 52226 1 409 . 1 . 1 38 38 GLU H H 1 8.214 0.007 . 1 . . . . . 444 GLU H . 52226 1 410 . 1 . 1 38 38 GLU HA H 1 3.898 0.031 . 1 . . . . . 444 GLU HA . 52226 1 411 . 1 . 1 38 38 GLU HB2 H 1 1.938 0.076 . 2 . . . . . 444 GLU HB2 . 52226 1 412 . 1 . 1 38 38 GLU HB3 H 1 1.970 0.044 . 2 . . . . . 444 GLU HB3 . 52226 1 413 . 1 . 1 38 38 GLU HG2 H 1 2.263 0.019 . 2 . . . . . 444 GLU HG2 . 52226 1 414 . 1 . 1 38 38 GLU HG3 H 1 2.376 0.017 . 2 . . . . . 444 GLU HG3 . 52226 1 415 . 1 . 1 38 38 GLU C C 13 178.918 0.000 . 1 . . . . . 444 GLU C . 52226 1 416 . 1 . 1 38 38 GLU CA C 13 59.049 0.095 . 1 . . . . . 444 GLU CA . 52226 1 417 . 1 . 1 38 38 GLU CB C 13 29.066 0.225 . 1 . . . . . 444 GLU CB . 52226 1 418 . 1 . 1 38 38 GLU CG C 13 36.437 0.165 . 1 . . . . . 444 GLU CG . 52226 1 419 . 1 . 1 38 38 GLU N N 15 116.591 0.040 . 1 . . . . . 444 GLU N . 52226 1 420 . 1 . 1 39 39 LYS H H 1 7.748 0.010 . 1 . . . . . 445 LYS H . 52226 1 421 . 1 . 1 39 39 LYS HA H 1 3.848 0.043 . 1 . . . . . 445 LYS HA . 52226 1 422 . 1 . 1 39 39 LYS HB2 H 1 1.793 0.023 . 2 . . . . . 445 LYS HB2 . 52226 1 423 . 1 . 1 39 39 LYS HB3 H 1 1.796 0.024 . 2 . . . . . 445 LYS HB3 . 52226 1 424 . 1 . 1 39 39 LYS HG2 H 1 1.433 0.024 . 1 . . . . . 445 LYS HG2 . 52226 1 425 . 1 . 1 39 39 LYS HG3 H 1 1.433 0.024 . 1 . . . . . 445 LYS HG3 . 52226 1 426 . 1 . 1 39 39 LYS HD2 H 1 1.426 0.031 . 1 . . . . . 445 LYS HD2 . 52226 1 427 . 1 . 1 39 39 LYS HD3 H 1 1.426 0.031 . 1 . . . . . 445 LYS HD3 . 52226 1 428 . 1 . 1 39 39 LYS HE2 H 1 2.617 0.010 . 1 . . . . . 445 LYS HE2 . 52226 1 429 . 1 . 1 39 39 LYS HE3 H 1 2.617 0.010 . 1 . . . . . 445 LYS HE3 . 52226 1 430 . 1 . 1 39 39 LYS C C 13 179.161 0.000 . 1 . . . . . 445 LYS C . 52226 1 431 . 1 . 1 39 39 LYS CA C 13 59.364 0.186 . 1 . . . . . 445 LYS CA . 52226 1 432 . 1 . 1 39 39 LYS CB C 13 32.308 0.068 . 1 . . . . . 445 LYS CB . 52226 1 433 . 1 . 1 39 39 LYS CG C 13 24.502 0.000 . 1 . . . . . 445 LYS CG . 52226 1 434 . 1 . 1 39 39 LYS CD C 13 29.463 0.045 . 1 . . . . . 445 LYS CD . 52226 1 435 . 1 . 1 39 39 LYS CE C 13 42.008 0.040 . 1 . . . . . 445 LYS CE . 52226 1 436 . 1 . 1 39 39 LYS N N 15 119.971 0.113 . 1 . . . . . 445 LYS N . 52226 1 437 . 1 . 1 40 40 PHE H H 1 8.173 0.008 . 1 . . . . . 446 PHE H . 52226 1 438 . 1 . 1 40 40 PHE HA H 1 4.199 0.021 . 1 . . . . . 446 PHE HA . 52226 1 439 . 1 . 1 40 40 PHE HB2 H 1 2.997 0.015 . 2 . . . . . 446 PHE HB2 . 52226 1 440 . 1 . 1 40 40 PHE HB3 H 1 2.981 0.021 . 2 . . . . . 446 PHE HB3 . 52226 1 441 . 1 . 1 40 40 PHE HD1 H 1 7.440 0.009 . 1 . . . . . 446 PHE HD1 . 52226 1 442 . 1 . 1 40 40 PHE HD2 H 1 7.440 0.009 . 1 . . . . . 446 PHE HD2 . 52226 1 443 . 1 . 1 40 40 PHE HE1 H 1 7.148 0.000 . 1 . . . . . 446 PHE HE1 . 52226 1 444 . 1 . 1 40 40 PHE HE2 H 1 7.185 0.000 . 1 . . . . . 446 PHE HE2 . 52226 1 445 . 1 . 1 40 40 PHE HZ H 1 7.311 0.007 . 1 . . . . . 446 PHE HZ . 52226 1 446 . 1 . 1 40 40 PHE C C 13 178.725 0.000 . 1 . . . . . 446 PHE C . 52226 1 447 . 1 . 1 40 40 PHE CA C 13 61.728 0.153 . 1 . . . . . 446 PHE CA . 52226 1 448 . 1 . 1 40 40 PHE CB C 13 38.259 0.065 . 1 . . . . . 446 PHE CB . 52226 1 449 . 1 . 1 40 40 PHE CD1 C 13 131.657 0.000 . 1 . . . . . 446 PHE CD1 . 52226 1 450 . 1 . 1 40 40 PHE CD2 C 13 131.657 0.000 . 1 . . . . . 446 PHE CD2 . 52226 1 451 . 1 . 1 40 40 PHE CE1 C 13 130.410 0.000 . 1 . . . . . 446 PHE CE1 . 52226 1 452 . 1 . 1 40 40 PHE CE2 C 13 130.410 0.000 . 1 . . . . . 446 PHE CE2 . 52226 1 453 . 1 . 1 40 40 PHE CZ C 13 129.520 0.000 . 1 . . . . . 446 PHE CZ . 52226 1 454 . 1 . 1 40 40 PHE N N 15 117.405 0.030 . 1 . . . . . 446 PHE N . 52226 1 455 . 1 . 1 41 41 ARG H H 1 8.471 0.008 . 1 . . . . . 447 ARG H . 52226 1 456 . 1 . 1 41 41 ARG HA H 1 4.027 0.014 . 1 . . . . . 447 ARG HA . 52226 1 457 . 1 . 1 41 41 ARG HB2 H 1 1.828 0.018 . 2 . . . . . 447 ARG HB2 . 52226 1 458 . 1 . 1 41 41 ARG HB3 H 1 1.837 0.009 . 2 . . . . . 447 ARG HB3 . 52226 1 459 . 1 . 1 41 41 ARG HG2 H 1 1.496 0.018 . 1 . . . . . 447 ARG HG2 . 52226 1 460 . 1 . 1 41 41 ARG HG3 H 1 1.496 0.018 . 1 . . . . . 447 ARG HG3 . 52226 1 461 . 1 . 1 41 41 ARG HD2 H 1 3.023 0.000 . 2 . . . . . 447 ARG HD2 . 52226 1 462 . 1 . 1 41 41 ARG HD3 H 1 3.131 0.008 . 2 . . . . . 447 ARG HD3 . 52226 1 463 . 1 . 1 41 41 ARG C C 13 178.446 0.000 . 1 . . . . . 447 ARG C . 52226 1 464 . 1 . 1 41 41 ARG CA C 13 59.740 0.092 . 1 . . . . . 447 ARG CA . 52226 1 465 . 1 . 1 41 41 ARG CB C 13 30.241 0.087 . 1 . . . . . 447 ARG CB . 52226 1 466 . 1 . 1 41 41 ARG CG C 13 26.607 0.000 . 1 . . . . . 447 ARG CG . 52226 1 467 . 1 . 1 41 41 ARG CD C 13 43.260 0.087 . 1 . . . . . 447 ARG CD . 52226 1 468 . 1 . 1 41 41 ARG N N 15 120.760 0.034 . 1 . . . . . 447 ARG N . 52226 1 469 . 1 . 1 42 42 LYS H H 1 7.673 0.005 . 1 . . . . . 448 LYS H . 52226 1 470 . 1 . 1 42 42 LYS HA H 1 4.048 0.021 . 1 . . . . . 448 LYS HA . 52226 1 471 . 1 . 1 42 42 LYS HB2 H 1 1.820 0.033 . 2 . . . . . 448 LYS HB2 . 52226 1 472 . 1 . 1 42 42 LYS HB3 H 1 1.806 0.000 . 2 . . . . . 448 LYS HB3 . 52226 1 473 . 1 . 1 42 42 LYS HG2 H 1 1.476 0.000 . 1 . . . . . 448 LYS HG2 . 52226 1 474 . 1 . 1 42 42 LYS HG3 H 1 1.476 0.000 . 1 . . . . . 448 LYS HG3 . 52226 1 475 . 1 . 1 42 42 LYS HD2 H 1 1.822 0.021 . 1 . . . . . 448 LYS HD2 . 52226 1 476 . 1 . 1 42 42 LYS HD3 H 1 1.822 0.021 . 1 . . . . . 448 LYS HD3 . 52226 1 477 . 1 . 1 42 42 LYS HE2 H 1 2.885 0.000 . 1 . . . . . 448 LYS HE2 . 52226 1 478 . 1 . 1 42 42 LYS HE3 H 1 2.885 0.000 . 1 . . . . . 448 LYS HE3 . 52226 1 479 . 1 . 1 42 42 LYS C C 13 177.962 0.000 . 1 . . . . . 448 LYS C . 52226 1 480 . 1 . 1 42 42 LYS CA C 13 58.063 0.096 . 1 . . . . . 448 LYS CA . 52226 1 481 . 1 . 1 42 42 LYS CB C 13 32.363 0.110 . 1 . . . . . 448 LYS CB . 52226 1 482 . 1 . 1 42 42 LYS CG C 13 25.296 0.000 . 1 . . . . . 448 LYS CG . 52226 1 483 . 1 . 1 42 42 LYS CD C 13 29.082 0.280 . 1 . . . . . 448 LYS CD . 52226 1 484 . 1 . 1 42 42 LYS CE C 13 42.089 0.000 . 1 . . . . . 448 LYS CE . 52226 1 485 . 1 . 1 42 42 LYS N N 15 118.270 0.058 . 1 . . . . . 448 LYS N . 52226 1 486 . 1 . 1 43 43 MET H H 1 7.623 0.015 . 1 . . . . . 449 MET H . 52226 1 487 . 1 . 1 43 43 MET HA H 1 4.168 0.012 . 1 . . . . . 449 MET HA . 52226 1 488 . 1 . 1 43 43 MET HB2 H 1 2.015 0.018 . 2 . . . . . 449 MET HB2 . 52226 1 489 . 1 . 1 43 43 MET HB3 H 1 2.034 0.000 . 2 . . . . . 449 MET HB3 . 52226 1 490 . 1 . 1 43 43 MET HG2 H 1 2.391 0.000 . 1 . . . . . 449 MET HG2 . 52226 1 491 . 1 . 1 43 43 MET HG3 H 1 2.391 0.000 . 1 . . . . . 449 MET HG3 . 52226 1 492 . 1 . 1 43 43 MET HE1 H 1 2.001 0.028 . 1 . . . . . 449 MET HE1 . 52226 1 493 . 1 . 1 43 43 MET HE2 H 1 2.001 0.028 . 1 . . . . . 449 MET HE2 . 52226 1 494 . 1 . 1 43 43 MET HE3 H 1 2.001 0.028 . 1 . . . . . 449 MET HE3 . 52226 1 495 . 1 . 1 43 43 MET C C 13 176.622 0.000 . 1 . . . . . 449 MET C . 52226 1 496 . 1 . 1 43 43 MET CA C 13 57.222 0.198 . 1 . . . . . 449 MET CA . 52226 1 497 . 1 . 1 43 43 MET CB C 13 32.990 0.250 . 1 . . . . . 449 MET CB . 52226 1 498 . 1 . 1 43 43 MET CG C 13 31.901 0.000 . 1 . . . . . 449 MET CG . 52226 1 499 . 1 . 1 43 43 MET CE C 13 16.981 0.110 . 1 . . . . . 449 MET CE . 52226 1 500 . 1 . 1 43 43 MET N N 15 118.167 0.039 . 1 . . . . . 449 MET N . 52226 1 501 . 1 . 1 44 44 ASN H H 1 7.948 0.007 . 1 . . . . . 450 ASN H . 52226 1 502 . 1 . 1 44 44 ASN HA H 1 4.619 0.017 . 1 . . . . . 450 ASN HA . 52226 1 503 . 1 . 1 44 44 ASN HB2 H 1 2.798 0.027 . 2 . . . . . 450 ASN HB2 . 52226 1 504 . 1 . 1 44 44 ASN HB3 H 1 2.706 0.029 . 2 . . . . . 450 ASN HB3 . 52226 1 505 . 1 . 1 44 44 ASN HD21 H 1 7.442 0.002 . 1 . . . . . 450 ASN HD21 . 52226 1 506 . 1 . 1 44 44 ASN HD22 H 1 6.988 0.003 . 1 . . . . . 450 ASN HD22 . 52226 1 507 . 1 . 1 44 44 ASN C C 13 175.067 0.000 . 1 . . . . . 450 ASN C . 52226 1 508 . 1 . 1 44 44 ASN CA C 13 53.663 0.076 . 1 . . . . . 450 ASN CA . 52226 1 509 . 1 . 1 44 44 ASN CB C 13 38.953 0.084 . 1 . . . . . 450 ASN CB . 52226 1 510 . 1 . 1 44 44 ASN N N 15 117.870 0.111 . 1 . . . . . 450 ASN N . 52226 1 511 . 1 . 1 44 44 ASN ND2 N 15 112.788 0.022 . 1 . . . . . 450 ASN ND2 . 52226 1 512 . 1 . 1 45 45 LYS H H 1 7.900 0.015 . 1 . . . . . 451 LYS H . 52226 1 513 . 1 . 1 45 45 LYS HA H 1 4.211 0.005 . 1 . . . . . 451 LYS HA . 52226 1 514 . 1 . 1 45 45 LYS HB2 H 1 1.747 0.000 . 1 . . . . . 451 LYS HB2 . 52226 1 515 . 1 . 1 45 45 LYS HB3 H 1 1.747 0.000 . 1 . . . . . 451 LYS HB3 . 52226 1 516 . 1 . 1 45 45 LYS HG2 H 1 1.353 0.000 . 1 . . . . . 451 LYS HG2 . 52226 1 517 . 1 . 1 45 45 LYS HG3 H 1 1.353 0.000 . 1 . . . . . 451 LYS HG3 . 52226 1 518 . 1 . 1 45 45 LYS HD2 H 1 1.794 0.034 . 1 . . . . . 451 LYS HD2 . 52226 1 519 . 1 . 1 45 45 LYS HD3 H 1 1.794 0.034 . 1 . . . . . 451 LYS HD3 . 52226 1 520 . 1 . 1 45 45 LYS HE2 H 1 2.903 0.000 . 1 . . . . . 451 LYS HE2 . 52226 1 521 . 1 . 1 45 45 LYS HE3 H 1 2.903 0.000 . 1 . . . . . 451 LYS HE3 . 52226 1 522 . 1 . 1 45 45 LYS C C 13 176.175 0.000 . 1 . . . . . 451 LYS C . 52226 1 523 . 1 . 1 45 45 LYS CA C 13 56.747 0.003 . 1 . . . . . 451 LYS CA . 52226 1 524 . 1 . 1 45 45 LYS CB C 13 32.671 0.084 . 1 . . . . . 451 LYS CB . 52226 1 525 . 1 . 1 45 45 LYS CG C 13 24.762 0.000 . 1 . . . . . 451 LYS CG . 52226 1 526 . 1 . 1 45 45 LYS CD C 13 28.888 0.000 . 1 . . . . . 451 LYS CD . 52226 1 527 . 1 . 1 45 45 LYS CE C 13 42.124 0.000 . 1 . . . . . 451 LYS CE . 52226 1 528 . 1 . 1 45 45 LYS N N 15 120.840 0.106 . 1 . . . . . 451 LYS N . 52226 1 529 . 1 . 1 46 46 ARG H H 1 8.119 0.008 . 1 . . . . . 452 ARG H . 52226 1 530 . 1 . 1 46 46 ARG HA H 1 4.241 0.019 . 1 . . . . . 452 ARG HA . 52226 1 531 . 1 . 1 46 46 ARG HB2 H 1 1.724 0.012 . 2 . . . . . 452 ARG HB2 . 52226 1 532 . 1 . 1 46 46 ARG HB3 H 1 1.726 0.000 . 2 . . . . . 452 ARG HB3 . 52226 1 533 . 1 . 1 46 46 ARG HG2 H 1 1.559 0.005 . 2 . . . . . 452 ARG HG2 . 52226 1 534 . 1 . 1 46 46 ARG HG3 H 1 1.542 0.000 . 2 . . . . . 452 ARG HG3 . 52226 1 535 . 1 . 1 46 46 ARG HD2 H 1 3.146 0.028 . 1 . . . . . 452 ARG HD2 . 52226 1 536 . 1 . 1 46 46 ARG HD3 H 1 3.146 0.028 . 1 . . . . . 452 ARG HD3 . 52226 1 537 . 1 . 1 46 46 ARG C C 13 175.934 0.000 . 1 . . . . . 452 ARG C . 52226 1 538 . 1 . 1 46 46 ARG CA C 13 56.235 0.059 . 1 . . . . . 452 ARG CA . 52226 1 539 . 1 . 1 46 46 ARG CB C 13 30.623 0.108 . 1 . . . . . 452 ARG CB . 52226 1 540 . 1 . 1 46 46 ARG CG C 13 28.929 0.244 . 1 . . . . . 452 ARG CG . 52226 1 541 . 1 . 1 46 46 ARG CD C 13 43.362 0.000 . 1 . . . . . 452 ARG CD . 52226 1 542 . 1 . 1 46 46 ARG N N 15 121.441 0.046 . 1 . . . . . 452 ARG N . 52226 1 543 . 1 . 1 47 47 LEU H H 1 8.204 0.003 . 1 . . . . . 453 LEU H . 52226 1 544 . 1 . 1 47 47 LEU HA H 1 4.343 0.031 . 1 . . . . . 453 LEU HA . 52226 1 545 . 1 . 1 47 47 LEU HB2 H 1 1.571 0.029 . 2 . . . . . 453 LEU HB2 . 52226 1 546 . 1 . 1 47 47 LEU HB3 H 1 1.623 0.008 . 2 . . . . . 453 LEU HB3 . 52226 1 547 . 1 . 1 47 47 LEU HG H 1 1.554 0.000 . 1 . . . . . 453 LEU HG . 52226 1 548 . 1 . 1 47 47 LEU HD11 H 1 0.781 0.008 . 2 . . . . . 453 LEU HD11 . 52226 1 549 . 1 . 1 47 47 LEU HD12 H 1 0.781 0.008 . 2 . . . . . 453 LEU HD12 . 52226 1 550 . 1 . 1 47 47 LEU HD13 H 1 0.781 0.008 . 2 . . . . . 453 LEU HD13 . 52226 1 551 . 1 . 1 47 47 LEU HD21 H 1 0.842 0.038 . 2 . . . . . 453 LEU HD21 . 52226 1 552 . 1 . 1 47 47 LEU HD22 H 1 0.842 0.038 . 2 . . . . . 453 LEU HD22 . 52226 1 553 . 1 . 1 47 47 LEU HD23 H 1 0.842 0.038 . 2 . . . . . 453 LEU HD23 . 52226 1 554 . 1 . 1 47 47 LEU C C 13 176.217 0.000 . 1 . . . . . 453 LEU C . 52226 1 555 . 1 . 1 47 47 LEU CA C 13 55.339 0.120 . 1 . . . . . 453 LEU CA . 52226 1 556 . 1 . 1 47 47 LEU CB C 13 42.202 0.139 . 1 . . . . . 453 LEU CB . 52226 1 557 . 1 . 1 47 47 LEU CG C 13 26.944 0.108 . 1 . . . . . 453 LEU CG . 52226 1 558 . 1 . 1 47 47 LEU CD1 C 13 23.321 0.214 . 2 . . . . . 453 LEU CD1 . 52226 1 559 . 1 . 1 47 47 LEU CD2 C 13 24.909 0.238 . 2 . . . . . 453 LEU CD2 . 52226 1 560 . 1 . 1 47 47 LEU N N 15 124.072 0.048 . 1 . . . . . 453 LEU N . 52226 1 561 . 1 . 1 48 48 VAL H H 1 7.484 0.009 . 1 . . . . . 454 VAL H . 52226 1 562 . 1 . 1 48 48 VAL HA H 1 3.977 0.024 . 1 . . . . . 454 VAL HA . 52226 1 563 . 1 . 1 48 48 VAL HB H 1 1.990 0.014 . 1 . . . . . 454 VAL HB . 52226 1 564 . 1 . 1 48 48 VAL HG11 H 1 0.796 0.001 . 2 . . . . . 454 VAL HG11 . 52226 1 565 . 1 . 1 48 48 VAL HG12 H 1 0.796 0.001 . 2 . . . . . 454 VAL HG12 . 52226 1 566 . 1 . 1 48 48 VAL HG13 H 1 0.796 0.001 . 2 . . . . . 454 VAL HG13 . 52226 1 567 . 1 . 1 48 48 VAL HG21 H 1 0.816 0.001 . 2 . . . . . 454 VAL HG21 . 52226 1 568 . 1 . 1 48 48 VAL HG22 H 1 0.816 0.001 . 2 . . . . . 454 VAL HG22 . 52226 1 569 . 1 . 1 48 48 VAL HG23 H 1 0.816 0.001 . 2 . . . . . 454 VAL HG23 . 52226 1 570 . 1 . 1 48 48 VAL C C 13 180.792 0.000 . 1 . . . . . 454 VAL C . 52226 1 571 . 1 . 1 48 48 VAL CA C 13 63.409 0.106 . 1 . . . . . 454 VAL CA . 52226 1 572 . 1 . 1 48 48 VAL CB C 13 33.332 0.074 . 1 . . . . . 454 VAL CB . 52226 1 573 . 1 . 1 48 48 VAL CG1 C 13 20.025 0.056 . 2 . . . . . 454 VAL CG1 . 52226 1 574 . 1 . 1 48 48 VAL CG2 C 13 21.452 0.058 . 2 . . . . . 454 VAL CG2 . 52226 1 575 . 1 . 1 48 48 VAL N N 15 124.058 0.131 . 1 . . . . . 454 VAL N . 52226 1 stop_ save_