################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19959 _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 . _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4cyk/ebi/dep.final_4cyk_01-05-14.data.csh' _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 . 1 $sample_1 solution 19959 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CNS 1 $CNS_1.2 19959 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.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 MET H H 1 8.527 0.01 . 1 . . . . 1 MET H . 19959 1 2 . 1 1 1 1 MET HA H 1 4.466 0.01 . 1 . . . . 1 MET HA . 19959 1 3 . 1 1 1 1 MET HB2 H 1 1.960 0.01 . 2 . . . . 1 MET HB2 . 19959 1 4 . 1 1 1 1 MET HB3 H 1 2.081 0.01 . 2 . . . . 1 MET HB3 . 19959 1 5 . 1 1 1 1 MET HG2 H 1 2.579 0.01 . 2 . . . . 1 MET HG2 . 19959 1 6 . 1 1 1 1 MET HG3 H 1 2.478 0.01 . 2 . . . . 1 MET HG3 . 19959 1 7 . 1 1 1 1 MET HE1 H 1 1.819 0.01 . 1 . . . . 1 MET HE1 . 19959 1 8 . 1 1 1 1 MET HE2 H 1 1.819 0.01 . 1 . . . . 1 MET HE2 . 19959 1 9 . 1 1 1 1 MET HE3 H 1 1.819 0.01 . 1 . . . . 1 MET HE3 . 19959 1 10 . 1 1 1 1 MET C C 13 175.190 0.10 . 1 . . . . 1 MET C . 19959 1 11 . 1 1 1 1 MET CA C 13 55.540 0.10 . 1 . . . . 1 MET CA . 19959 1 12 . 1 1 1 1 MET CB C 13 32.200 0.10 . 1 . . . . 1 MET CB . 19959 1 13 . 1 1 2 2 ASP H H 1 8.132 0.01 . 1 . . . . 2 ASP H . 19959 1 14 . 1 1 2 2 ASP HA H 1 4.486 0.01 . 1 . . . . 2 ASP HA . 19959 1 15 . 1 1 2 2 ASP HB2 H 1 2.621 0.01 . 2 . . . . 2 ASP HB2 . 19959 1 16 . 1 1 2 2 ASP HB3 H 1 2.546 0.01 . 2 . . . . 2 ASP HB3 . 19959 1 17 . 1 1 2 2 ASP C C 13 175.100 0.10 . 1 . . . . 2 ASP C . 19959 1 18 . 1 1 2 2 ASP CA C 13 54.490 0.10 . 1 . . . . 2 ASP CA . 19959 1 19 . 1 1 2 2 ASP CB C 13 40.860 0.10 . 1 . . . . 2 ASP CB . 19959 1 20 . 1 1 2 2 ASP N N 15 120.620 0.10 . 1 . . . . 2 ASP N . 19959 1 21 . 1 1 3 3 LYS H H 1 8.066 0.01 . 1 . . . . 3 LYS H . 19959 1 22 . 1 1 3 3 LYS HA H 1 4.262 0.01 . 1 . . . . 3 LYS HA . 19959 1 23 . 1 1 3 3 LYS HB2 H 1 1.766 0.01 . 2 . . . . 3 LYS HB2 . 19959 1 24 . 1 1 3 3 LYS HB3 H 1 1.675 0.01 . 2 . . . . 3 LYS HB3 . 19959 1 25 . 1 1 3 3 LYS HG2 H 1 1.287 0.01 . 2 . . . . 3 LYS HG2 . 19959 1 26 . 1 1 3 3 LYS HG3 H 1 1.360 0.01 . 2 . . . . 3 LYS HG3 . 19959 1 27 . 1 1 3 3 LYS HD2 H 1 1.360 0.01 . 2 . . . . 3 LYS HD2 . 19959 1 28 . 1 1 3 3 LYS HD3 H 1 1.596 0.01 . 2 . . . . 3 LYS HD3 . 19959 1 29 . 1 1 3 3 LYS HE2 H 1 2.921 0.01 . 2 . . . . 3 LYS HE2 . 19959 1 30 . 1 1 3 3 LYS HE3 H 1 2.921 0.01 . 2 . . . . 3 LYS HE3 . 19959 1 31 . 1 1 3 3 LYS C C 13 175.380 0.10 . 1 . . . . 3 LYS C . 19959 1 32 . 1 1 3 3 LYS CA C 13 55.860 0.10 . 1 . . . . 3 LYS CA . 19959 1 33 . 1 1 3 3 LYS CB C 13 32.730 0.10 . 1 . . . . 3 LYS CB . 19959 1 34 . 1 1 3 3 LYS N N 15 120.480 0.10 . 1 . . . . 3 LYS N . 19959 1 35 . 1 1 4 4 ILE H H 1 8.056 0.01 . 1 . . . . 4 ILE H . 19959 1 36 . 1 1 4 4 ILE HA H 1 4.034 0.01 . 1 . . . . 4 ILE HA . 19959 1 37 . 1 1 4 4 ILE HB H 1 1.781 0.01 . 1 . . . . 4 ILE HB . 19959 1 38 . 1 1 4 4 ILE HG12 H 1 1.179 0.01 . 2 . . . . 4 ILE HG11 . 19959 1 39 . 1 1 4 4 ILE HG13 H 1 1.474 0.01 . 2 . . . . 4 ILE HG12 . 19959 1 40 . 1 1 4 4 ILE HG21 H 1 0.794 0.01 . 1 . . . . 4 ILE HG21 . 19959 1 41 . 1 1 4 4 ILE HG22 H 1 0.794 0.01 . 1 . . . . 4 ILE HG22 . 19959 1 42 . 1 1 4 4 ILE HG23 H 1 0.794 0.01 . 1 . . . . 4 ILE HG23 . 19959 1 43 . 1 1 4 4 ILE HD11 H 1 0.854 0.01 . 1 . . . . 4 ILE HD11 . 19959 1 44 . 1 1 4 4 ILE HD12 H 1 0.854 0.01 . 1 . . . . 4 ILE HD12 . 19959 1 45 . 1 1 4 4 ILE HD13 H 1 0.854 0.01 . 1 . . . . 4 ILE HD13 . 19959 1 46 . 1 1 4 4 ILE C C 13 174.700 0.10 . 1 . . . . 4 ILE C . 19959 1 47 . 1 1 4 4 ILE CA C 13 60.550 0.10 . 1 . . . . 4 ILE CA . 19959 1 48 . 1 1 4 4 ILE CB C 13 38.690 0.10 . 1 . . . . 4 ILE CB . 19959 1 49 . 1 1 4 4 ILE N N 15 121.910 0.10 . 1 . . . . 4 ILE N . 19959 1 50 . 1 1 5 5 ASN H H 1 8.422 0.01 . 1 . . . . 5 ASN H . 19959 1 51 . 1 1 5 5 ASN HA H 1 4.891 0.01 . 1 . . . . 5 ASN HA . 19959 1 52 . 1 1 5 5 ASN HB2 H 1 2.795 0.01 . 2 . . . . 5 ASN HB2 . 19959 1 53 . 1 1 5 5 ASN HB3 H 1 2.693 0.01 . 2 . . . . 5 ASN HB3 . 19959 1 54 . 1 1 5 5 ASN HD21 H 1 7.108 0.01 . 1 . . . . 5 ASN HD21 . 19959 1 55 . 1 1 5 5 ASN HD22 H 1 7.566 0.01 . 1 . . . . 5 ASN HD22 . 19959 1 56 . 1 1 5 5 ASN C C 13 173.460 0.10 . 1 . . . . 5 ASN C . 19959 1 57 . 1 1 5 5 ASN CA C 13 50.580 0.10 . 1 . . . . 5 ASN CA . 19959 1 58 . 1 1 5 5 ASN CB C 13 38.680 0.10 . 1 . . . . 5 ASN CB . 19959 1 59 . 1 1 5 5 ASN N N 15 124.830 0.10 . 1 . . . . 5 ASN N . 19959 1 60 . 1 1 6 6 PRO HA H 1 4.224 0.01 . 1 . . . . 6 PRO HA . 19959 1 61 . 1 1 6 6 PRO HB2 H 1 1.852 0.01 . 2 . . . . 6 PRO HB2 . 19959 1 62 . 1 1 6 6 PRO HB3 H 1 2.238 0.01 . 2 . . . . 6 PRO HB3 . 19959 1 63 . 1 1 6 6 PRO HG2 H 1 1.953 0.01 . 2 . . . . 6 PRO HG2 . 19959 1 64 . 1 1 6 6 PRO HG3 H 1 1.953 0.01 . 2 . . . . 6 PRO HG3 . 19959 1 65 . 1 1 6 6 PRO HD2 H 1 3.939 0.01 . 2 . . . . 6 PRO HD2 . 19959 1 66 . 1 1 6 6 PRO HD3 H 1 3.798 0.01 . 2 . . . . 6 PRO HD3 . 19959 1 67 . 1 1 6 6 PRO C C 13 176.670 0.10 . 1 . . . . 6 PRO C . 19959 1 68 . 1 1 6 6 PRO CA C 13 64.480 0.10 . 1 . . . . 6 PRO CA . 19959 1 69 . 1 1 6 6 PRO CB C 13 31.920 0.10 . 1 . . . . 6 PRO CB . 19959 1 70 . 1 1 7 7 ASP H H 1 8.082 0.01 . 1 . . . . 7 ASP H . 19959 1 71 . 1 1 7 7 ASP HA H 1 4.440 0.01 . 1 . . . . 7 ASP HA . 19959 1 72 . 1 1 7 7 ASP HB2 H 1 2.573 0.01 . 2 . . . . 7 ASP HB2 . 19959 1 73 . 1 1 7 7 ASP HB3 H 1 2.651 0.01 . 2 . . . . 7 ASP HB3 . 19959 1 74 . 1 1 7 7 ASP C C 13 176.020 0.10 . 1 . . . . 7 ASP C . 19959 1 75 . 1 1 7 7 ASP CA C 13 55.590 0.10 . 1 . . . . 7 ASP CA . 19959 1 76 . 1 1 7 7 ASP CB C 13 40.460 0.10 . 1 . . . . 7 ASP CB . 19959 1 77 . 1 1 7 7 ASP N N 15 118.190 0.10 . 1 . . . . 7 ASP N . 19959 1 78 . 1 1 8 8 TRP H H 1 7.480 0.01 . 1 . . . . 8 TRP H . 19959 1 79 . 1 1 8 8 TRP HA H 1 4.429 0.01 . 1 . . . . 8 TRP HA . 19959 1 80 . 1 1 8 8 TRP HB2 H 1 3.342 0.01 . 2 . . . . 8 TRP HB2 . 19959 1 81 . 1 1 8 8 TRP HB3 H 1 3.342 0.01 . 2 . . . . 8 TRP HB3 . 19959 1 82 . 1 1 8 8 TRP HD1 H 1 7.341 0.01 . 1 . . . . 8 TRP HD1 . 19959 1 83 . 1 1 8 8 TRP HE1 H 1 10.226 0.01 . 1 . . . . 8 TRP HE1 . 19959 1 84 . 1 1 8 8 TRP HE3 H 1 7.429 0.01 . 1 . . . . 8 TRP HE3 . 19959 1 85 . 1 1 8 8 TRP HZ2 H 1 7.451 0.01 . 1 . . . . 8 TRP HZ2 . 19959 1 86 . 1 1 8 8 TRP HZ3 H 1 7.130 0.01 . 1 . . . . 8 TRP HZ3 . 19959 1 87 . 1 1 8 8 TRP HH2 H 1 7.256 0.01 . 1 . . . . 8 TRP HH2 . 19959 1 88 . 1 1 8 8 TRP C C 13 176.340 0.10 . 1 . . . . 8 TRP C . 19959 1 89 . 1 1 8 8 TRP CA C 13 58.330 0.10 . 1 . . . . 8 TRP CA . 19959 1 90 . 1 1 8 8 TRP CB C 13 28.620 0.10 . 1 . . . . 8 TRP CB . 19959 1 91 . 1 1 8 8 TRP N N 15 119.460 0.10 . 1 . . . . 8 TRP N . 19959 1 92 . 1 1 9 9 ALA H H 1 7.517 0.01 . 1 . . . . 9 ALA H . 19959 1 93 . 1 1 9 9 ALA HA H 1 3.435 0.01 . 1 . . . . 9 ALA HA . 19959 1 94 . 1 1 9 9 ALA HB1 H 1 0.183 0.01 . 1 . . . . 9 ALA HB1 . 19959 1 95 . 1 1 9 9 ALA HB2 H 1 0.183 0.01 . 1 . . . . 9 ALA HB2 . 19959 1 96 . 1 1 9 9 ALA HB3 H 1 0.183 0.01 . 1 . . . . 9 ALA HB3 . 19959 1 97 . 1 1 9 9 ALA C C 13 176.990 0.10 . 1 . . . . 9 ALA C . 19959 1 98 . 1 1 9 9 ALA CA C 13 53.750 0.10 . 1 . . . . 9 ALA CA . 19959 1 99 . 1 1 9 9 ALA CB C 13 17.830 0.10 . 1 . . . . 9 ALA CB . 19959 1 100 . 1 1 9 9 ALA N N 15 121.420 0.10 . 1 . . . . 9 ALA N . 19959 1 101 . 1 1 10 10 LYS H H 1 7.061 0.01 . 1 . . . . 10 LYS H . 19959 1 102 . 1 1 10 10 LYS HA H 1 4.048 0.01 . 1 . . . . 10 LYS HA . 19959 1 103 . 1 1 10 10 LYS HB2 H 1 1.775 0.01 . 2 . . . . 10 LYS HB2 . 19959 1 104 . 1 1 10 10 LYS HB3 H 1 1.775 0.01 . 2 . . . . 10 LYS HB3 . 19959 1 105 . 1 1 10 10 LYS HG2 H 1 1.202 0.01 . 2 . . . . 10 LYS HG2 . 19959 1 106 . 1 1 10 10 LYS HG3 H 1 1.357 0.01 . 2 . . . . 10 LYS HG3 . 19959 1 107 . 1 1 10 10 LYS HD2 H 1 1.571 0.01 . 2 . . . . 10 LYS HD2 . 19959 1 108 . 1 1 10 10 LYS HD3 H 1 1.631 0.01 . 2 . . . . 10 LYS HD3 . 19959 1 109 . 1 1 10 10 LYS HE2 H 1 2.974 0.01 . 2 . . . . 10 LYS HE2 . 19959 1 110 . 1 1 10 10 LYS HE3 H 1 2.974 0.01 . 2 . . . . 10 LYS HE3 . 19959 1 111 . 1 1 10 10 LYS C C 13 175.380 0.10 . 1 . . . . 10 LYS C . 19959 1 112 . 1 1 10 10 LYS CA C 13 57.900 0.10 . 1 . . . . 10 LYS CA . 19959 1 113 . 1 1 10 10 LYS CB C 13 31.800 0.10 . 1 . . . . 10 LYS CB . 19959 1 114 . 1 1 10 10 LYS N N 15 113.110 0.10 . 1 . . . . 10 LYS N . 19959 1 115 . 1 1 11 11 ASP H H 1 7.341 0.01 . 1 . . . . 11 ASP H . 19959 1 116 . 1 1 11 11 ASP HA H 1 4.873 0.01 . 1 . . . . 11 ASP HA . 19959 1 117 . 1 1 11 11 ASP HB2 H 1 2.403 0.01 . 2 . . . . 11 ASP HB2 . 19959 1 118 . 1 1 11 11 ASP HB3 H 1 2.828 0.01 . 2 . . . . 11 ASP HB3 . 19959 1 119 . 1 1 11 11 ASP C C 13 174.770 0.10 . 1 . . . . 11 ASP C . 19959 1 120 . 1 1 11 11 ASP CA C 13 53.700 0.10 . 1 . . . . 11 ASP CA . 19959 1 121 . 1 1 11 11 ASP CB C 13 42.070 0.10 . 1 . . . . 11 ASP CB . 19959 1 122 . 1 1 11 11 ASP N N 15 115.800 0.10 . 1 . . . . 11 ASP N . 19959 1 123 . 1 1 12 12 ILE H H 1 8.009 0.01 . 1 . . . . 12 ILE H . 19959 1 124 . 1 1 12 12 ILE HA H 1 4.402 0.01 . 1 . . . . 12 ILE HA . 19959 1 125 . 1 1 12 12 ILE HB H 1 2.139 0.01 . 1 . . . . 12 ILE HB . 19959 1 126 . 1 1 12 12 ILE HG12 H 1 1.088 0.01 . 2 . . . . 12 ILE HG12 . 19959 1 127 . 1 1 12 12 ILE HG13 H 1 1.009 0.01 . 2 . . . . 12 ILE HG13 . 19959 1 128 . 1 1 12 12 ILE HG21 H 1 0.858 0.01 . 1 . . . . 12 ILE HG21 . 19959 1 129 . 1 1 12 12 ILE HG22 H 1 0.858 0.01 . 1 . . . . 12 ILE HG22 . 19959 1 130 . 1 1 12 12 ILE HG23 H 1 0.858 0.01 . 1 . . . . 12 ILE HG23 . 19959 1 131 . 1 1 12 12 ILE HD11 H 1 0.650 0.01 . 1 . . . . 12 ILE HD11 . 19959 1 132 . 1 1 12 12 ILE HD12 H 1 0.650 0.01 . 1 . . . . 12 ILE HD12 . 19959 1 133 . 1 1 12 12 ILE HD13 H 1 0.650 0.01 . 1 . . . . 12 ILE HD13 . 19959 1 134 . 1 1 12 12 ILE C C 13 172.580 0.10 . 1 . . . . 12 ILE C . 19959 1 135 . 1 1 12 12 ILE CA C 13 57.610 0.10 . 1 . . . . 12 ILE CA . 19959 1 136 . 1 1 12 12 ILE CB C 13 38.660 0.10 . 1 . . . . 12 ILE CB . 19959 1 137 . 1 1 12 12 ILE N N 15 125.190 0.10 . 1 . . . . 12 ILE N . 19959 1 138 . 1 1 13 13 PRO HA H 1 4.189 0.01 . 1 . . . . 13 PRO HA . 19959 1 139 . 1 1 13 13 PRO HB2 H 1 1.682 0.01 . 2 . . . . 13 PRO HB2 . 19959 1 140 . 1 1 13 13 PRO HB3 H 1 2.156 0.01 . 2 . . . . 13 PRO HB3 . 19959 1 141 . 1 1 13 13 PRO HG2 H 1 1.776 0.01 . 2 . . . . 13 PRO HG2 . 19959 1 142 . 1 1 13 13 PRO HG3 H 1 2.018 0.01 . 2 . . . . 13 PRO HG3 . 19959 1 143 . 1 1 13 13 PRO HD2 H 1 3.954 0.01 . 2 . . . . 13 PRO HD2 . 19959 1 144 . 1 1 13 13 PRO HD3 H 1 3.590 0.01 . 2 . . . . 13 PRO HD3 . 19959 1 145 . 1 1 13 13 PRO C C 13 175.320 0.10 . 1 . . . . 13 PRO C . 19959 1 146 . 1 1 13 13 PRO CA C 13 63.010 0.10 . 1 . . . . 13 PRO CA . 19959 1 147 . 1 1 13 13 PRO CB C 13 32.060 0.10 . 1 . . . . 13 PRO CB . 19959 1 148 . 1 1 14 14 CYS H H 1 8.304 0.01 . 1 . . . . 14 CYS H . 19959 1 149 . 1 1 14 14 CYS HA H 1 3.355 0.01 . 1 . . . . 14 CYS HA . 19959 1 150 . 1 1 14 14 CYS HB2 H 1 2.564 0.01 . 1 . . . . 14 CYS HB2 . 19959 1 151 . 1 1 14 14 CYS HB3 H 1 1.763 0.01 . 1 . . . . 14 CYS HB3 . 19959 1 152 . 1 1 14 14 CYS C C 13 176.740 0.10 . 1 . . . . 14 CYS C . 19959 1 153 . 1 1 14 14 CYS CA C 13 61.010 0.10 . 1 . . . . 14 CYS CA . 19959 1 154 . 1 1 14 14 CYS CB C 13 29.650 0.10 . 1 . . . . 14 CYS CB . 19959 1 155 . 1 1 14 14 CYS N N 15 125.300 0.10 . 1 . . . . 14 CYS N . 19959 1 156 . 1 1 15 15 ARG H H 1 8.279 0.01 . 1 . . . . 15 ARG H . 19959 1 157 . 1 1 15 15 ARG HA H 1 3.945 0.01 . 1 . . . . 15 ARG HA . 19959 1 158 . 1 1 15 15 ARG HB2 H 1 1.609 0.01 . 2 . . . . 15 ARG HB2 . 19959 1 159 . 1 1 15 15 ARG HB3 H 1 1.609 0.01 . 2 . . . . 15 ARG HB3 . 19959 1 160 . 1 1 15 15 ARG HG2 H 1 1.488 0.01 . 2 . . . . 15 ARG HG2 . 19959 1 161 . 1 1 15 15 ARG HG3 H 1 1.488 0.01 . 2 . . . . 15 ARG HG3 . 19959 1 162 . 1 1 15 15 ARG HD2 H 1 3.012 0.01 . 2 . . . . 15 ARG HD2 . 19959 1 163 . 1 1 15 15 ARG HD3 H 1 3.012 0.01 . 2 . . . . 15 ARG HD3 . 19959 1 164 . 1 1 15 15 ARG C C 13 176.450 0.10 . 1 . . . . 15 ARG C . 19959 1 165 . 1 1 15 15 ARG CA C 13 58.350 0.10 . 1 . . . . 15 ARG CA . 19959 1 166 . 1 1 15 15 ARG CB C 13 29.640 0.10 . 1 . . . . 15 ARG CB . 19959 1 167 . 1 1 15 15 ARG N N 15 132.160 0.10 . 1 . . . . 15 ARG N . 19959 1 168 . 1 1 16 16 ASN H H 1 8.533 0.01 . 1 . . . . 16 ASN H . 19959 1 169 . 1 1 16 16 ASN HA H 1 4.610 0.01 . 1 . . . . 16 ASN HA . 19959 1 170 . 1 1 16 16 ASN HB2 H 1 3.243 0.01 . 2 . . . . 16 ASN HB2 . 19959 1 171 . 1 1 16 16 ASN HB3 H 1 3.243 0.01 . 2 . . . . 16 ASN HB3 . 19959 1 172 . 1 1 16 16 ASN HD21 H 1 7.149 0.01 . 1 . . . . 16 ASN HD21 . 19959 1 173 . 1 1 16 16 ASN HD22 H 1 8.431 0.01 . 1 . . . . 16 ASN HD22 . 19959 1 174 . 1 1 16 16 ASN C C 13 177.080 0.10 . 1 . . . . 16 ASN C . 19959 1 175 . 1 1 16 16 ASN CA C 13 56.270 0.10 . 1 . . . . 16 ASN CA . 19959 1 176 . 1 1 16 16 ASN CB C 13 37.560 0.10 . 1 . . . . 16 ASN CB . 19959 1 177 . 1 1 16 16 ASN N N 15 118.420 0.10 . 1 . . . . 16 ASN N . 19959 1 178 . 1 1 17 17 ILE H H 1 7.173 0.01 . 1 . . . . 17 ILE H . 19959 1 179 . 1 1 17 17 ILE HA H 1 3.305 0.01 . 1 . . . . 17 ILE HA . 19959 1 180 . 1 1 17 17 ILE HB H 1 2.096 0.01 . 1 . . . . 17 ILE HB . 19959 1 181 . 1 1 17 17 ILE HG12 H 1 1.276 0.01 . 2 . . . . 17 ILE HG12 . 19959 1 182 . 1 1 17 17 ILE HG13 H 1 1.696 0.01 . 2 . . . . 17 ILE HG13 . 19959 1 183 . 1 1 17 17 ILE HG21 H 1 0.823 0.01 . 1 . . . . 17 ILE HG21 . 19959 1 184 . 1 1 17 17 ILE HG22 H 1 0.823 0.01 . 1 . . . . 17 ILE HG22 . 19959 1 185 . 1 1 17 17 ILE HG23 H 1 0.823 0.01 . 1 . . . . 17 ILE HG23 . 19959 1 186 . 1 1 17 17 ILE HD11 H 1 1.041 0.01 . 1 . . . . 17 ILE HD11 . 19959 1 187 . 1 1 17 17 ILE HD12 H 1 1.041 0.01 . 1 . . . . 17 ILE HD12 . 19959 1 188 . 1 1 17 17 ILE HD13 H 1 1.041 0.01 . 1 . . . . 17 ILE HD13 . 19959 1 189 . 1 1 17 17 ILE C C 13 177.530 0.10 . 1 . . . . 17 ILE C . 19959 1 190 . 1 1 17 17 ILE CA C 13 64.480 0.10 . 1 . . . . 17 ILE CA . 19959 1 191 . 1 1 17 17 ILE CB C 13 36.310 0.10 . 1 . . . . 17 ILE CB . 19959 1 192 . 1 1 17 17 ILE N N 15 118.580 0.10 . 1 . . . . 17 ILE N . 19959 1 193 . 1 1 18 18 THR H H 1 7.244 0.01 . 1 . . . . 18 THR H . 19959 1 194 . 1 1 18 18 THR HA H 1 3.800 0.01 . 1 . . . . 18 THR HA . 19959 1 195 . 1 1 18 18 THR HB H 1 4.111 0.01 . 1 . . . . 18 THR HB . 19959 1 196 . 1 1 18 18 THR HG21 H 1 1.113 0.01 . 1 . . . . 18 THR HG21 . 19959 1 197 . 1 1 18 18 THR HG22 H 1 1.113 0.01 . 1 . . . . 18 THR HG22 . 19959 1 198 . 1 1 18 18 THR HG23 H 1 1.113 0.01 . 1 . . . . 18 THR HG23 . 19959 1 199 . 1 1 18 18 THR C C 13 174.330 0.10 . 1 . . . . 18 THR C . 19959 1 200 . 1 1 18 18 THR CA C 13 65.820 0.10 . 1 . . . . 18 THR CA . 19959 1 201 . 1 1 18 18 THR CB C 13 68.620 0.10 . 1 . . . . 18 THR CB . 19959 1 202 . 1 1 18 18 THR N N 15 115.090 0.10 . 1 . . . . 18 THR N . 19959 1 203 . 1 1 19 19 ILE H H 1 7.766 0.01 . 1 . . . . 19 ILE H . 19959 1 204 . 1 1 19 19 ILE HA H 1 3.696 0.01 . 1 . . . . 19 ILE HA . 19959 1 205 . 1 1 19 19 ILE HB H 1 1.180 0.01 . 1 . . . . 19 ILE HB . 19959 1 206 . 1 1 19 19 ILE HG12 H 1 1.251 0.01 . 2 . . . . 19 ILE HG12 . 19959 1 207 . 1 1 19 19 ILE HG13 H 1 0.916 0.01 . 2 . . . . 19 ILE HG13 . 19959 1 208 . 1 1 19 19 ILE HG21 H 1 0.027 0.01 . 1 . . . . 19 ILE HG21 . 19959 1 209 . 1 1 19 19 ILE HG22 H 1 0.027 0.01 . 1 . . . . 19 ILE HG22 . 19959 1 210 . 1 1 19 19 ILE HG23 H 1 0.027 0.01 . 1 . . . . 19 ILE HG23 . 19959 1 211 . 1 1 19 19 ILE HD11 H 1 0.589 0.01 . 1 . . . . 19 ILE HD11 . 19959 1 212 . 1 1 19 19 ILE HD12 H 1 0.589 0.01 . 1 . . . . 19 ILE HD12 . 19959 1 213 . 1 1 19 19 ILE HD13 H 1 0.589 0.01 . 1 . . . . 19 ILE HD13 . 19959 1 214 . 1 1 19 19 ILE C C 13 176.460 0.10 . 1 . . . . 19 ILE C . 19959 1 215 . 1 1 19 19 ILE CA C 13 63.540 0.10 . 1 . . . . 19 ILE CA . 19959 1 216 . 1 1 19 19 ILE CB C 13 39.020 0.10 . 1 . . . . 19 ILE CB . 19959 1 217 . 1 1 19 19 ILE N N 15 117.760 0.10 . 1 . . . . 19 ILE N . 19959 1 218 . 1 1 20 20 TYR H H 1 8.220 0.01 . 1 . . . . 20 TYR H . 19959 1 219 . 1 1 20 20 TYR HA H 1 4.689 0.01 . 1 . . . . 20 TYR HA . 19959 1 220 . 1 1 20 20 TYR HB2 H 1 3.020 0.01 . 1 . . . . 20 TYR HB2 . 19959 1 221 . 1 1 20 20 TYR HB3 H 1 2.898 0.01 . 1 . . . . 20 TYR HB3 . 19959 1 222 . 1 1 20 20 TYR HD1 H 1 7.183 0.01 . 3 . . . . 20 TYR HD1 . 19959 1 223 . 1 1 20 20 TYR HD2 H 1 7.183 0.01 . 3 . . . . 20 TYR HD2 . 19959 1 224 . 1 1 20 20 TYR HE1 H 1 6.779 0.01 . 3 . . . . 20 TYR HE1 . 19959 1 225 . 1 1 20 20 TYR HE2 H 1 6.779 0.01 . 3 . . . . 20 TYR HE2 . 19959 1 226 . 1 1 20 20 TYR C C 13 175.800 0.10 . 1 . . . . 20 TYR C . 19959 1 227 . 1 1 20 20 TYR CA C 13 58.130 0.10 . 1 . . . . 20 TYR CA . 19959 1 228 . 1 1 20 20 TYR CB C 13 39.610 0.10 . 1 . . . . 20 TYR CB . 19959 1 229 . 1 1 20 20 TYR N N 15 115.040 0.10 . 1 . . . . 20 TYR N . 19959 1 230 . 1 1 21 21 GLY H H 1 7.811 0.01 . 1 . . . . 21 GLY H . 19959 1 231 . 1 1 21 21 GLY HA2 H 1 4.455 0.01 . 2 . . . . 21 GLY HA2 . 19959 1 232 . 1 1 21 21 GLY HA3 H 1 3.882 0.01 . 2 . . . . 21 GLY HA3 . 19959 1 233 . 1 1 21 21 GLY C C 13 171.940 0.10 . 1 . . . . 21 GLY C . 19959 1 234 . 1 1 21 21 GLY CA C 13 45.350 0.10 . 1 . . . . 21 GLY CA . 19959 1 235 . 1 1 21 21 GLY N N 15 107.880 0.10 . 1 . . . . 21 GLY N . 19959 1 236 . 1 1 22 22 TYR H H 1 7.314 0.01 . 1 . . . . 22 TYR H . 19959 1 237 . 1 1 22 22 TYR HA H 1 4.553 0.01 . 1 . . . . 22 TYR HA . 19959 1 238 . 1 1 22 22 TYR HB2 H 1 3.039 0.01 . 1 . . . . 22 TYR HB2 . 19959 1 239 . 1 1 22 22 TYR HB3 H 1 2.897 0.01 . 1 . . . . 22 TYR HB3 . 19959 1 240 . 1 1 22 22 TYR HD1 H 1 6.807 0.01 . 3 . . . . 22 TYR HD1 . 19959 1 241 . 1 1 22 22 TYR HD2 H 1 6.807 0.01 . 3 . . . . 22 TYR HD2 . 19959 1 242 . 1 1 22 22 TYR HE1 H 1 6.672 0.01 . 3 . . . . 22 TYR HE1 . 19959 1 243 . 1 1 22 22 TYR HE2 H 1 6.672 0.01 . 3 . . . . 22 TYR HE2 . 19959 1 244 . 1 1 22 22 TYR C C 13 170.340 0.10 . 1 . . . . 22 TYR C . 19959 1 245 . 1 1 22 22 TYR CA C 13 55.990 0.10 . 1 . . . . 22 TYR CA . 19959 1 246 . 1 1 22 22 TYR CB C 13 39.350 0.10 . 1 . . . . 22 TYR CB . 19959 1 247 . 1 1 22 22 TYR N N 15 115.990 0.10 . 1 . . . . 22 TYR N . 19959 1 248 . 1 1 23 23 CYS H H 1 9.232 0.01 . 1 . . . . 23 CYS H . 19959 1 249 . 1 1 23 23 CYS HA H 1 4.528 0.01 . 1 . . . . 23 CYS HA . 19959 1 250 . 1 1 23 23 CYS HB2 H 1 2.986 0.01 . 2 . . . . 23 CYS HB2 . 19959 1 251 . 1 1 23 23 CYS HB3 H 1 2.986 0.01 . 2 . . . . 23 CYS HB3 . 19959 1 252 . 1 1 23 23 CYS C C 13 175.900 0.10 . 1 . . . . 23 CYS C . 19959 1 253 . 1 1 23 23 CYS CA C 13 57.850 0.10 . 1 . . . . 23 CYS CA . 19959 1 254 . 1 1 23 23 CYS CB C 13 31.800 0.10 . 1 . . . . 23 CYS CB . 19959 1 255 . 1 1 23 23 CYS N N 15 123.440 0.10 . 1 . . . . 23 CYS N . 19959 1 256 . 1 1 24 24 LYS H H 1 8.430 0.01 . 1 . . . . 24 LYS H . 19959 1 257 . 1 1 24 24 LYS HA H 1 4.210 0.01 . 1 . . . . 24 LYS HA . 19959 1 258 . 1 1 24 24 LYS HB2 H 1 1.769 0.01 . 2 . . . . 24 LYS HB2 . 19959 1 259 . 1 1 24 24 LYS HB3 H 1 1.692 0.01 . 2 . . . . 24 LYS HB3 . 19959 1 260 . 1 1 24 24 LYS HG2 H 1 1.380 0.01 . 2 . . . . 24 LYS HG2 . 19959 1 261 . 1 1 24 24 LYS HG3 H 1 1.285 0.01 . 2 . . . . 24 LYS HG3 . 19959 1 262 . 1 1 24 24 LYS HD2 H 1 1.614 0.01 . 2 . . . . 24 LYS HD2 . 19959 1 263 . 1 1 24 24 LYS HD3 H 1 1.614 0.01 . 2 . . . . 24 LYS HD3 . 19959 1 264 . 1 1 24 24 LYS HE2 H 1 2.924 0.01 . 2 . . . . 24 LYS HE2 . 19959 1 265 . 1 1 24 24 LYS HE3 H 1 2.924 0.01 . 2 . . . . 24 LYS HE3 . 19959 1 266 . 1 1 24 24 LYS C C 13 176.000 0.10 . 1 . . . . 24 LYS C . 19959 1 267 . 1 1 24 24 LYS CA C 13 58.360 0.10 . 1 . . . . 24 LYS CA . 19959 1 268 . 1 1 24 24 LYS CB C 13 32.390 0.10 . 1 . . . . 24 LYS CB . 19959 1 269 . 1 1 25 25 LYS H H 1 8.176 0.01 . 1 . . . . 25 LYS H . 19959 1 270 . 1 1 25 25 LYS HA H 1 4.397 0.01 . 1 . . . . 25 LYS HA . 19959 1 271 . 1 1 25 25 LYS HB2 H 1 1.995 0.01 . 1 . . . . 25 LYS HB2 . 19959 1 272 . 1 1 25 25 LYS HB3 H 1 1.559 0.01 . 1 . . . . 25 LYS HB3 . 19959 1 273 . 1 1 25 25 LYS HG2 H 1 1.436 0.01 . 2 . . . . 25 LYS HG2 . 19959 1 274 . 1 1 25 25 LYS HG3 H 1 1.295 0.01 . 2 . . . . 25 LYS HG3 . 19959 1 275 . 1 1 25 25 LYS HD2 H 1 1.598 0.01 . 2 . . . . 25 LYS HD2 . 19959 1 276 . 1 1 25 25 LYS HD3 H 1 1.825 0.01 . 2 . . . . 25 LYS HD3 . 19959 1 277 . 1 1 25 25 LYS HE2 H 1 2.849 0.01 . 2 . . . . 25 LYS HE2 . 19959 1 278 . 1 1 25 25 LYS HE3 H 1 2.849 0.01 . 2 . . . . 25 LYS HE3 . 19959 1 279 . 1 1 25 25 LYS C C 13 176.430 0.10 . 1 . . . . 25 LYS C . 19959 1 280 . 1 1 25 25 LYS CA C 13 54.810 0.10 . 1 . . . . 25 LYS CA . 19959 1 281 . 1 1 25 25 LYS CB C 13 32.130 0.10 . 1 . . . . 25 LYS CB . 19959 1 282 . 1 1 25 25 LYS N N 15 117.830 0.10 . 1 . . . . 25 LYS N . 19959 1 283 . 1 1 26 26 GLU H H 1 7.588 0.01 . 1 . . . . 26 GLU H . 19959 1 284 . 1 1 26 26 GLU HA H 1 3.278 0.01 . 1 . . . . 26 GLU HA . 19959 1 285 . 1 1 26 26 GLU HB2 H 1 2.127 0.01 . 2 . . . . 26 GLU HB2 . 19959 1 286 . 1 1 26 26 GLU HB3 H 1 1.767 0.01 . 2 . . . . 26 GLU HB3 . 19959 1 287 . 1 1 26 26 GLU HG2 H 1 1.418 0.01 . 2 . . . . 26 GLU HG2 . 19959 1 288 . 1 1 26 26 GLU HG3 H 1 1.418 0.01 . 2 . . . . 26 GLU HG3 . 19959 1 289 . 1 1 26 26 GLU C C 13 176.900 0.10 . 1 . . . . 26 GLU C . 19959 1 290 . 1 1 26 26 GLU CA C 13 60.770 0.10 . 1 . . . . 26 GLU CA . 19959 1 291 . 1 1 26 26 GLU CB C 13 29.560 0.10 . 1 . . . . 26 GLU CB . 19959 1 292 . 1 1 26 26 GLU N N 15 127.220 0.10 . 1 . . . . 26 GLU N . 19959 1 293 . 1 1 27 27 LYS H H 1 8.603 0.01 . 1 . . . . 27 LYS H . 19959 1 294 . 1 1 27 27 LYS HA H 1 4.406 0.01 . 1 . . . . 27 LYS HA . 19959 1 295 . 1 1 27 27 LYS HB2 H 1 2.031 0.01 . 1 . . . . 27 LYS HB2 . 19959 1 296 . 1 1 27 27 LYS HB3 H 1 1.704 0.01 . 1 . . . . 27 LYS HB3 . 19959 1 297 . 1 1 27 27 LYS HG2 H 1 1.357 0.01 . 2 . . . . 27 LYS HG2 . 19959 1 298 . 1 1 27 27 LYS HG3 H 1 1.357 0.01 . 2 . . . . 27 LYS HG3 . 19959 1 299 . 1 1 27 27 LYS HD2 H 1 1.596 0.01 . 2 . . . . 27 LYS HD2 . 19959 1 300 . 1 1 27 27 LYS HD3 H 1 1.596 0.01 . 2 . . . . 27 LYS HD3 . 19959 1 301 . 1 1 27 27 LYS HE2 H 1 2.932 0.01 . 2 . . . . 27 LYS HE2 . 19959 1 302 . 1 1 27 27 LYS HE3 H 1 2.932 0.01 . 2 . . . . 27 LYS HE3 . 19959 1 303 . 1 1 27 27 LYS C C 13 175.420 0.10 . 1 . . . . 27 LYS C . 19959 1 304 . 1 1 27 27 LYS CA C 13 55.910 0.10 . 1 . . . . 27 LYS CA . 19959 1 305 . 1 1 27 27 LYS CB C 13 31.480 0.10 . 1 . . . . 27 LYS CB . 19959 1 306 . 1 1 27 27 LYS N N 15 115.670 0.10 . 1 . . . . 27 LYS N . 19959 1 307 . 1 1 28 28 GLU H H 1 7.570 0.01 . 1 . . . . 28 GLU H . 19959 1 308 . 1 1 28 28 GLU HA H 1 4.521 0.01 . 1 . . . . 28 GLU HA . 19959 1 309 . 1 1 28 28 GLU HB2 H 1 2.261 0.01 . 1 . . . . 28 GLU HB2 . 19959 1 310 . 1 1 28 28 GLU HB3 H 1 1.577 0.01 . 1 . . . . 28 GLU HB3 . 19959 1 311 . 1 1 28 28 GLU HG2 H 1 2.125 0.01 . 2 . . . . 28 GLU HG2 . 19959 1 312 . 1 1 28 28 GLU HG3 H 1 2.125 0.01 . 2 . . . . 28 GLU HG3 . 19959 1 313 . 1 1 28 28 GLU C C 13 175.570 0.10 . 1 . . . . 28 GLU C . 19959 1 314 . 1 1 28 28 GLU CA C 13 54.670 0.10 . 1 . . . . 28 GLU CA . 19959 1 315 . 1 1 28 28 GLU CB C 13 30.770 0.10 . 1 . . . . 28 GLU CB . 19959 1 316 . 1 1 28 28 GLU N N 15 118.630 0.10 . 1 . . . . 28 GLU N . 19959 1 317 . 1 1 29 29 GLY H H 1 8.081 0.01 . 1 . . . . 29 GLY H . 19959 1 318 . 1 1 29 29 GLY HA2 H 1 4.266 0.01 . 2 . . . . 29 GLY HA2 . 19959 1 319 . 1 1 29 29 GLY HA3 H 1 3.578 0.01 . 2 . . . . 29 GLY HA3 . 19959 1 320 . 1 1 29 29 GLY C C 13 173.680 0.10 . 1 . . . . 29 GLY C . 19959 1 321 . 1 1 29 29 GLY CA C 13 45.330 0.10 . 1 . . . . 29 GLY CA . 19959 1 322 . 1 1 29 29 GLY N N 15 107.020 0.10 . 1 . . . . 29 GLY N . 19959 1 323 . 1 1 30 30 CYS H H 1 7.674 0.01 . 1 . . . . 30 CYS H . 19959 1 324 . 1 1 30 30 CYS HA H 1 4.489 0.01 . 1 . . . . 30 CYS HA . 19959 1 325 . 1 1 30 30 CYS HB2 H 1 2.609 0.01 . 1 . . . . 30 CYS HB2 . 19959 1 326 . 1 1 30 30 CYS HB3 H 1 2.680 0.01 . 1 . . . . 30 CYS HB3 . 19959 1 327 . 1 1 30 30 CYS C C 13 175.530 0.10 . 1 . . . . 30 CYS C . 19959 1 328 . 1 1 30 30 CYS CA C 13 57.860 0.10 . 1 . . . . 30 CYS CA . 19959 1 329 . 1 1 30 30 CYS CB C 13 30.280 0.10 . 1 . . . . 30 CYS CB . 19959 1 330 . 1 1 30 30 CYS N N 15 124.160 0.10 . 1 . . . . 30 CYS N . 19959 1 331 . 1 1 31 31 PRO HA H 1 4.478 0.01 . 1 . . . . 31 PRO HA . 19959 1 332 . 1 1 31 31 PRO HB2 H 1 1.571 0.01 . 2 . . . . 31 PRO HB2 . 19959 1 333 . 1 1 31 31 PRO HB3 H 1 1.891 0.01 . 2 . . . . 31 PRO HB3 . 19959 1 334 . 1 1 31 31 PRO HG2 H 1 1.719 0.01 . 2 . . . . 31 PRO HG2 . 19959 1 335 . 1 1 31 31 PRO HG3 H 1 1.719 0.01 . 2 . . . . 31 PRO HG3 . 19959 1 336 . 1 1 31 31 PRO HD2 H 1 3.827 0.01 . 2 . . . . 31 PRO HD2 . 19959 1 337 . 1 1 31 31 PRO HD3 H 1 3.991 0.01 . 2 . . . . 31 PRO HD3 . 19959 1 338 . 1 1 31 31 PRO C C 13 174.850 0.10 . 1 . . . . 31 PRO C . 19959 1 339 . 1 1 31 31 PRO CA C 13 63.830 0.10 . 1 . . . . 31 PRO CA . 19959 1 340 . 1 1 31 31 PRO CB C 13 32.110 0.10 . 1 . . . . 31 PRO CB . 19959 1 341 . 1 1 32 32 PHE H H 1 7.556 0.01 . 1 . . . . 32 PHE H . 19959 1 342 . 1 1 32 32 PHE HA H 1 4.615 0.01 . 1 . . . . 32 PHE HA . 19959 1 343 . 1 1 32 32 PHE HB2 H 1 2.421 0.01 . 2 . . . . 32 PHE HB2 . 19959 1 344 . 1 1 32 32 PHE HB3 H 1 3.205 0.01 . 2 . . . . 32 PHE HB3 . 19959 1 345 . 1 1 32 32 PHE HD1 H 1 7.646 0.01 . 3 . . . . 32 PHE HD1 . 19959 1 346 . 1 1 32 32 PHE HD2 H 1 7.646 0.01 . 3 . . . . 32 PHE HD2 . 19959 1 347 . 1 1 32 32 PHE HE1 H 1 7.311 0.01 . 3 . . . . 32 PHE HE1 . 19959 1 348 . 1 1 32 32 PHE HE2 H 1 7.311 0.01 . 3 . . . . 32 PHE HE2 . 19959 1 349 . 1 1 32 32 PHE HZ H 1 7.423 0.01 . 1 . . . . 32 PHE HZ . 19959 1 350 . 1 1 32 32 PHE C C 13 172.190 0.10 . 1 . . . . 32 PHE C . 19959 1 351 . 1 1 32 32 PHE CA C 13 58.280 0.10 . 1 . . . . 32 PHE CA . 19959 1 352 . 1 1 32 32 PHE CB C 13 39.310 0.10 . 1 . . . . 32 PHE CB . 19959 1 353 . 1 1 32 32 PHE N N 15 119.600 0.10 . 1 . . . . 32 PHE N . 19959 1 354 . 1 1 33 33 LYS H H 1 8.325 0.01 . 1 . . . . 33 LYS H . 19959 1 355 . 1 1 33 33 LYS HA H 1 4.227 0.01 . 1 . . . . 33 LYS HA . 19959 1 356 . 1 1 33 33 LYS HB2 H 1 1.765 0.01 . 2 . . . . 33 LYS HB2 . 19959 1 357 . 1 1 33 33 LYS HB3 H 1 1.639 0.01 . 2 . . . . 33 LYS HB3 . 19959 1 358 . 1 1 33 33 LYS HG2 H 1 1.266 0.01 . 2 . . . . 33 LYS HG2 . 19959 1 359 . 1 1 33 33 LYS HG3 H 1 1.430 0.01 . 2 . . . . 33 LYS HG3 . 19959 1 360 . 1 1 33 33 LYS HD2 H 1 1.490 0.01 . 2 . . . . 33 LYS HD2 . 19959 1 361 . 1 1 33 33 LYS HD3 H 1 1.599 0.01 . 2 . . . . 33 LYS HD3 . 19959 1 362 . 1 1 33 33 LYS HE2 H 1 2.903 0.01 . 2 . . . . 33 LYS HE2 . 19959 1 363 . 1 1 33 33 LYS HE3 H 1 2.862 0.01 . 2 . . . . 33 LYS HE3 . 19959 1 364 . 1 1 33 33 LYS C C 13 176.790 0.10 . 1 . . . . 33 LYS C . 19959 1 365 . 1 1 33 33 LYS CA C 13 57.000 0.10 . 1 . . . . 33 LYS CA . 19959 1 366 . 1 1 33 33 LYS CB C 13 33.130 0.10 . 1 . . . . 33 LYS CB . 19959 1 367 . 1 1 33 33 LYS N N 15 118.700 0.10 . 1 . . . . 33 LYS N . 19959 1 368 . 1 1 34 34 HIS H H 1 9.096 0.01 . 1 . . . . 34 HIS H . 19959 1 369 . 1 1 34 34 HIS HA H 1 4.697 0.01 . 1 . . . . 34 HIS HA . 19959 1 370 . 1 1 34 34 HIS HB2 H 1 3.412 0.01 . 1 . . . . 34 HIS HB2 . 19959 1 371 . 1 1 34 34 HIS HB3 H 1 2.944 0.01 . 1 . . . . 34 HIS HB3 . 19959 1 372 . 1 1 34 34 HIS HD2 H 1 6.718 0.01 . 1 . . . . 34 HIS HD2 . 19959 1 373 . 1 1 34 34 HIS HE1 H 1 7.875 0.01 . 1 . . . . 34 HIS HE1 . 19959 1 374 . 1 1 34 34 HIS C C 13 172.680 0.10 . 1 . . . . 34 HIS C . 19959 1 375 . 1 1 34 34 HIS CA C 13 56.860 0.10 . 1 . . . . 34 HIS CA . 19959 1 376 . 1 1 34 34 HIS CB C 13 29.150 0.10 . 1 . . . . 34 HIS CB . 19959 1 377 . 1 1 34 34 HIS N N 15 125.610 0.10 . 1 . . . . 34 HIS N . 19959 1 378 . 1 1 35 35 SER H H 1 7.859 0.01 . 1 . . . . 35 SER H . 19959 1 379 . 1 1 35 35 SER HA H 1 4.510 0.01 . 1 . . . . 35 SER HA . 19959 1 380 . 1 1 35 35 SER HB2 H 1 3.847 0.01 . 2 . . . . 35 SER HB2 . 19959 1 381 . 1 1 35 35 SER HB3 H 1 3.876 0.01 . 2 . . . . 35 SER HB3 . 19959 1 382 . 1 1 35 35 SER C C 13 172.730 0.10 . 1 . . . . 35 SER C . 19959 1 383 . 1 1 35 35 SER CA C 13 57.940 0.10 . 1 . . . . 35 SER CA . 19959 1 384 . 1 1 35 35 SER CB C 13 64.110 0.10 . 1 . . . . 35 SER CB . 19959 1 385 . 1 1 35 35 SER N N 15 115.050 0.10 . 1 . . . . 35 SER N . 19959 1 386 . 1 1 36 36 ASP H H 1 8.546 0.01 . 1 . . . . 36 ASP H . 19959 1 387 . 1 1 36 36 ASP HA H 1 4.625 0.01 . 1 . . . . 36 ASP HA . 19959 1 388 . 1 1 36 36 ASP HB2 H 1 2.697 0.01 . 2 . . . . 36 ASP HB2 . 19959 1 389 . 1 1 36 36 ASP HB3 H 1 2.612 0.01 . 2 . . . . 36 ASP HB3 . 19959 1 390 . 1 1 36 36 ASP C C 13 175.110 0.10 . 1 . . . . 36 ASP C . 19959 1 391 . 1 1 36 36 ASP CA C 13 54.110 0.10 . 1 . . . . 36 ASP CA . 19959 1 392 . 1 1 36 36 ASP CB C 13 41.200 0.10 . 1 . . . . 36 ASP CB . 19959 1 393 . 1 1 36 36 ASP N N 15 121.530 0.10 . 1 . . . . 36 ASP N . 19959 1 394 . 1 1 37 37 ASN H H 1 8.476 0.01 . 1 . . . . 37 ASN H . 19959 1 395 . 1 1 37 37 ASN HA H 1 4.752 0.01 . 1 . . . . 37 ASN HA . 19959 1 396 . 1 1 37 37 ASN HB2 H 1 2.826 0.01 . 2 . . . . 37 ASN HB2 . 19959 1 397 . 1 1 37 37 ASN HB3 H 1 2.742 0.01 . 2 . . . . 37 ASN HB3 . 19959 1 398 . 1 1 37 37 ASN HD21 H 1 6.896 0.01 . 1 . . . . 37 ASN HD21 . 19959 1 399 . 1 1 37 37 ASN HD22 H 1 7.599 0.01 . 1 . . . . 37 ASN HD22 . 19959 1 400 . 1 1 37 37 ASN C C 13 174.790 0.10 . 1 . . . . 37 ASN C . 19959 1 401 . 1 1 37 37 ASN CA C 13 53.310 0.10 . 1 . . . . 37 ASN CA . 19959 1 402 . 1 1 37 37 ASN CB C 13 38.620 0.10 . 1 . . . . 37 ASN CB . 19959 1 403 . 1 1 37 37 ASN N N 15 119.270 0.10 . 1 . . . . 37 ASN N . 19959 1 404 . 1 1 38 38 THR H H 1 8.305 0.01 . 1 . . . . 38 THR H . 19959 1 405 . 1 1 38 38 THR HA H 1 4.343 0.01 . 1 . . . . 38 THR HA . 19959 1 406 . 1 1 38 38 THR HB H 1 4.231 0.01 . 1 . . . . 38 THR HB . 19959 1 407 . 1 1 38 38 THR HG21 H 1 1.179 0.01 . 1 . . . . 38 THR HG21 . 19959 1 408 . 1 1 38 38 THR HG22 H 1 1.179 0.01 . 1 . . . . 38 THR HG22 . 19959 1 409 . 1 1 38 38 THR HG23 H 1 1.179 0.01 . 1 . . . . 38 THR HG23 . 19959 1 410 . 1 1 38 38 THR C C 13 173.980 0.10 . 1 . . . . 38 THR C . 19959 1 411 . 1 1 38 38 THR CA C 13 62.280 0.10 . 1 . . . . 38 THR CA . 19959 1 412 . 1 1 38 38 THR CB C 13 69.630 0.10 . 1 . . . . 38 THR CB . 19959 1 413 . 1 1 38 38 THR N N 15 114.420 0.10 . 1 . . . . 38 THR N . 19959 1 414 . 1 1 39 39 THR H H 1 8.141 0.01 . 1 . . . . 39 THR H . 19959 1 415 . 1 1 39 39 THR HA H 1 4.313 0.01 . 1 . . . . 39 THR HA . 19959 1 416 . 1 1 39 39 THR HB H 1 4.180 0.01 . 1 . . . . 39 THR HB . 19959 1 417 . 1 1 39 39 THR HG21 H 1 1.173 0.01 . 1 . . . . 39 THR HG21 . 19959 1 418 . 1 1 39 39 THR HG22 H 1 1.173 0.01 . 1 . . . . 39 THR HG22 . 19959 1 419 . 1 1 39 39 THR HG23 H 1 1.173 0.01 . 1 . . . . 39 THR HG23 . 19959 1 420 . 1 1 39 39 THR C C 13 173.140 0.10 . 1 . . . . 39 THR C . 19959 1 421 . 1 1 39 39 THR CA C 13 61.860 0.10 . 1 . . . . 39 THR CA . 19959 1 422 . 1 1 39 39 THR CB C 13 69.630 0.10 . 1 . . . . 39 THR CB . 19959 1 423 . 1 1 39 39 THR N N 15 116.530 0.10 . 1 . . . . 39 THR N . 19959 1 424 . 1 1 40 40 ALA H H 1 8.318 0.01 . 1 . . . . 40 ALA H . 19959 1 425 . 1 1 40 40 ALA HA H 1 4.296 0.01 . 1 . . . . 40 ALA HA . 19959 1 426 . 1 1 40 40 ALA HB1 H 1 1.382 0.01 . 1 . . . . 40 ALA HB1 . 19959 1 427 . 1 1 40 40 ALA HB2 H 1 1.382 0.01 . 1 . . . . 40 ALA HB2 . 19959 1 428 . 1 1 40 40 ALA HB3 H 1 1.382 0.01 . 1 . . . . 40 ALA HB3 . 19959 1 429 . 1 1 40 40 ALA C C 13 176.090 0.10 . 1 . . . . 40 ALA C . 19959 1 430 . 1 1 40 40 ALA CA C 13 52.490 0.10 . 1 . . . . 40 ALA CA . 19959 1 431 . 1 1 40 40 ALA CB C 13 19.160 0.10 . 1 . . . . 40 ALA CB . 19959 1 432 . 1 1 40 40 ALA N N 15 127.440 0.10 . 1 . . . . 40 ALA N . 19959 1 433 . 1 1 41 41 THR H H 1 7.759 0.01 . 1 . . . . 41 THR H . 19959 1 434 . 1 1 41 41 THR HA H 1 4.092 0.01 . 1 . . . . 41 THR HA . 19959 1 435 . 1 1 41 41 THR HB H 1 4.195 0.01 . 1 . . . . 41 THR HB . 19959 1 436 . 1 1 41 41 THR HG21 H 1 1.118 0.01 . 1 . . . . 41 THR HG21 . 19959 1 437 . 1 1 41 41 THR HG22 H 1 1.118 0.01 . 1 . . . . 41 THR HG22 . 19959 1 438 . 1 1 41 41 THR HG23 H 1 1.118 0.01 . 1 . . . . 41 THR HG23 . 19959 1 439 . 1 1 41 41 THR C C 13 178.440 0.10 . 1 . . . . 41 THR C . 19959 1 440 . 1 1 41 41 THR CA C 13 62.850 0.10 . 1 . . . . 41 THR CA . 19959 1 441 . 1 1 41 41 THR CB C 13 70.710 0.10 . 1 . . . . 41 THR CB . 19959 1 442 . 1 1 41 41 THR N N 15 118.740 0.10 . 1 . . . . 41 THR N . 19959 1 stop_ save_