################################### # 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 15364 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _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' . . . 15364 1 2 '2D 1H-13C HSQC' . . . 15364 1 3 '2D NOESY' . . . 15364 1 4 '2D TOCSY' . . . 15364 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 $ANSIG . . 15364 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 ALA HA H 1 4.1 0.05 . 1 . . . . 1 ALA HA . 15364 1 2 . 1 1 1 1 ALA HB1 H 1 1.5 0.05 . 1 . . . . 1 ALA HB . 15364 1 3 . 1 1 1 1 ALA HB2 H 1 1.5 0.05 . 1 . . . . 1 ALA HB . 15364 1 4 . 1 1 1 1 ALA HB3 H 1 1.5 0.05 . 1 . . . . 1 ALA HB . 15364 1 5 . 1 1 1 1 ALA CA C 13 51.7 0.5 . 1 . . . . 1 ALA CA . 15364 1 6 . 1 1 1 1 ALA CB C 13 19.4 0.5 . 1 . . . . 1 ALA CB . 15364 1 7 . 1 1 2 2 GLN H H 1 8.76 0.05 . 1 . . . . 2 GLN H . 15364 1 8 . 1 1 2 2 GLN N N 15 120.1 0.2 . 1 . . . . 2 GLN N . 15364 1 9 . 1 1 3 3 GLN H H 1 8.72 0.05 . 1 . . . . 3 GLN H . 15364 1 10 . 1 1 3 3 GLN HA H 1 4.33 0.05 . 1 . . . . 3 GLN HA . 15364 1 11 . 1 1 3 3 GLN HB2 H 1 1.97 0.05 . 2 . . . . 3 GLN HB2 . 15364 1 12 . 1 1 3 3 GLN HB3 H 1 2.05 0.05 . 2 . . . . 3 GLN HB3 . 15364 1 13 . 1 1 3 3 GLN HE21 H 1 6.95 0.05 . 2 . . . . 3 GLN HE21 . 15364 1 14 . 1 1 3 3 GLN HE22 H 1 6.95 0.05 . 2 . . . . 3 GLN HE22 . 15364 1 15 . 1 1 3 3 GLN HG2 H 1 2.36 0.05 . 2 . . . . 3 GLN HG2 . 15364 1 16 . 1 1 3 3 GLN HG3 H 1 2.36 0.05 . 2 . . . . 3 GLN HG3 . 15364 1 17 . 1 1 3 3 GLN CA C 13 55.7 0.5 . 1 . . . . 3 GLN CA . 15364 1 18 . 1 1 3 3 GLN N N 15 123.4 0.2 . 1 . . . . 3 GLN N . 15364 1 19 . 1 1 3 3 GLN NE2 N 15 112.8 0.2 . 1 . . . . 3 GLN NE2 . 15364 1 20 . 1 1 4 4 ARG H H 1 8.58 0.05 . 1 . . . . 4 ARG H . 15364 1 21 . 1 1 4 4 ARG HA H 1 4.28 0.05 . 1 . . . . 4 ARG HA . 15364 1 22 . 1 1 4 4 ARG HB2 H 1 1.75 0.05 . 2 . . . . 4 ARG HB2 . 15364 1 23 . 1 1 4 4 ARG HB3 H 1 1.75 0.05 . 2 . . . . 4 ARG HB3 . 15364 1 24 . 1 1 4 4 ARG HD2 H 1 3.17 0.05 . 2 . . . . 4 ARG HD2 . 15364 1 25 . 1 1 4 4 ARG HD3 H 1 3.17 0.05 . 2 . . . . 4 ARG HD3 . 15364 1 26 . 1 1 4 4 ARG HG2 H 1 1.59 0.05 . 2 . . . . 4 ARG HG2 . 15364 1 27 . 1 1 4 4 ARG HG3 H 1 1.59 0.05 . 2 . . . . 4 ARG HG3 . 15364 1 28 . 1 1 4 4 ARG CA C 13 56.2 0.5 . 1 . . . . 4 ARG CA . 15364 1 29 . 1 1 4 4 ARG CB C 13 30.9 0.5 . 1 . . . . 4 ARG CB . 15364 1 30 . 1 1 4 4 ARG CD C 13 43.3 0.5 . 1 . . . . 4 ARG CD . 15364 1 31 . 1 1 4 4 ARG N N 15 123.8 0.2 . 1 . . . . 4 ARG N . 15364 1 32 . 1 1 5 5 LYS H H 1 8.53 0.05 . 1 . . . . 5 LYS H . 15364 1 33 . 1 1 5 5 LYS HA H 1 4.31 0.05 . 1 . . . . 5 LYS HA . 15364 1 34 . 1 1 5 5 LYS HB2 H 1 1.73 0.05 . 2 . . . . 5 LYS HB2 . 15364 1 35 . 1 1 5 5 LYS HB3 H 1 1.73 0.05 . 2 . . . . 5 LYS HB3 . 15364 1 36 . 1 1 5 5 LYS HD2 H 1 1.68 0.05 . 2 . . . . 5 LYS HD2 . 15364 1 37 . 1 1 5 5 LYS HD3 H 1 1.68 0.05 . 2 . . . . 5 LYS HD3 . 15364 1 38 . 1 1 5 5 LYS HE2 H 1 2.97 0.05 . 2 . . . . 5 LYS HE2 . 15364 1 39 . 1 1 5 5 LYS HE3 H 1 2.97 0.05 . 2 . . . . 5 LYS HE3 . 15364 1 40 . 1 1 5 5 LYS HG2 H 1 1.35 0.05 . 2 . . . . 5 LYS HG2 . 15364 1 41 . 1 1 5 5 LYS HG3 H 1 1.42 0.05 . 2 . . . . 5 LYS HG3 . 15364 1 42 . 1 1 5 5 LYS C C 13 176.3 0.5 . 1 . . . . 5 LYS C . 15364 1 43 . 1 1 5 5 LYS CA C 13 56.2 0.5 . 1 . . . . 5 LYS CA . 15364 1 44 . 1 1 5 5 LYS CB C 13 33 0.5 . 1 . . . . 5 LYS CB . 15364 1 45 . 1 1 5 5 LYS CD C 13 29 0.5 . 1 . . . . 5 LYS CD . 15364 1 46 . 1 1 5 5 LYS CE C 13 42.2 0.5 . 1 . . . . 5 LYS CE . 15364 1 47 . 1 1 5 5 LYS CG C 13 24.8 0.5 . 1 . . . . 5 LYS CG . 15364 1 48 . 1 1 5 5 LYS N N 15 124.4 0.2 . 1 . . . . 5 LYS N . 15364 1 49 . 1 1 6 6 VAL H H 1 8.34 0.05 . 1 . . . . 6 VAL H . 15364 1 50 . 1 1 6 6 VAL HA H 1 4.09 0.05 . 1 . . . . 6 VAL HA . 15364 1 51 . 1 1 6 6 VAL HB H 1 1.91 0.05 . 1 . . . . 6 VAL HB . 15364 1 52 . 1 1 6 6 VAL HG11 H 1 0.82 0.05 . 2 . . . . 6 VAL HG1 . 15364 1 53 . 1 1 6 6 VAL HG12 H 1 0.82 0.05 . 2 . . . . 6 VAL HG1 . 15364 1 54 . 1 1 6 6 VAL HG13 H 1 0.82 0.05 . 2 . . . . 6 VAL HG1 . 15364 1 55 . 1 1 6 6 VAL HG21 H 1 0.88 0.05 . 2 . . . . 6 VAL HG2 . 15364 1 56 . 1 1 6 6 VAL HG22 H 1 0.88 0.05 . 2 . . . . 6 VAL HG2 . 15364 1 57 . 1 1 6 6 VAL HG23 H 1 0.88 0.05 . 2 . . . . 6 VAL HG2 . 15364 1 58 . 1 1 6 6 VAL C C 13 175.8 0.5 . 1 . . . . 6 VAL C . 15364 1 59 . 1 1 6 6 VAL CA C 13 62 0.5 . 1 . . . . 6 VAL CA . 15364 1 60 . 1 1 6 6 VAL CB C 13 33 0.5 . 1 . . . . 6 VAL CB . 15364 1 61 . 1 1 6 6 VAL CG1 C 13 20.9 0.5 . 2 . . . . 6 VAL CG1 . 15364 1 62 . 1 1 6 6 VAL CG2 C 13 20.9 0.5 . 2 . . . . 6 VAL CG2 . 15364 1 63 . 1 1 6 6 VAL N N 15 124 0.2 . 1 . . . . 6 VAL N . 15364 1 64 . 1 1 7 7 ILE H H 1 8.63 0.05 . 1 . . . . 7 ILE H . 15364 1 65 . 1 1 7 7 ILE HA H 1 4.09 0.05 . 1 . . . . 7 ILE HA . 15364 1 66 . 1 1 7 7 ILE HB H 1 1.62 0.05 . 1 . . . . 7 ILE HB . 15364 1 67 . 1 1 7 7 ILE HD11 H 1 0.77 0.05 . 1 . . . . 7 ILE HD1 . 15364 1 68 . 1 1 7 7 ILE HD12 H 1 0.77 0.05 . 1 . . . . 7 ILE HD1 . 15364 1 69 . 1 1 7 7 ILE HD13 H 1 0.77 0.05 . 1 . . . . 7 ILE HD1 . 15364 1 70 . 1 1 7 7 ILE HG12 H 1 1.07 0.05 . 2 . . . . 7 ILE HG12 . 15364 1 71 . 1 1 7 7 ILE HG13 H 1 0.67 0.05 . 2 . . . . 7 ILE HG13 . 15364 1 72 . 1 1 7 7 ILE HG21 H 1 1.34 0.05 . 1 . . . . 7 ILE HG2 . 15364 1 73 . 1 1 7 7 ILE HG22 H 1 1.34 0.05 . 1 . . . . 7 ILE HG2 . 15364 1 74 . 1 1 7 7 ILE HG23 H 1 1.34 0.05 . 1 . . . . 7 ILE HG2 . 15364 1 75 . 1 1 7 7 ILE C C 13 174.3 0.5 . 1 . . . . 7 ILE C . 15364 1 76 . 1 1 7 7 ILE CA C 13 60.5 0.5 . 1 . . . . 7 ILE CA . 15364 1 77 . 1 1 7 7 ILE CB C 13 38.8 0.5 . 1 . . . . 7 ILE CB . 15364 1 78 . 1 1 7 7 ILE CD1 C 13 12.9 0.5 . 1 . . . . 7 ILE CD1 . 15364 1 79 . 1 1 7 7 ILE CG1 C 13 27.2 0.5 . 1 . . . . 7 ILE CG1 . 15364 1 80 . 1 1 7 7 ILE CG2 C 13 16.8 0.5 . 1 . . . . 7 ILE CG2 . 15364 1 81 . 1 1 7 7 ILE N N 15 127.8 0.2 . 1 . . . . 7 ILE N . 15364 1 82 . 1 1 8 8 ARG H H 1 8.32 0.05 . 1 . . . . 8 ARG H . 15364 1 83 . 1 1 8 8 ARG HA H 1 4.5 0.05 . 1 . . . . 8 ARG HA . 15364 1 84 . 1 1 8 8 ARG HB2 H 1 1.43 0.05 . 2 . . . . 8 ARG HB2 . 15364 1 85 . 1 1 8 8 ARG HB3 H 1 1.43 0.05 . 2 . . . . 8 ARG HB3 . 15364 1 86 . 1 1 8 8 ARG HD2 H 1 2.96 0.05 . 2 . . . . 8 ARG HD2 . 15364 1 87 . 1 1 8 8 ARG HD3 H 1 3.01 0.05 . 2 . . . . 8 ARG HD3 . 15364 1 88 . 1 1 8 8 ARG HE H 1 7.18 0.2 . 1 . . . . 8 ARG HE . 15364 1 89 . 1 1 8 8 ARG HG2 H 1 1.15 0.05 . 2 . . . . 8 ARG HG2 . 15364 1 90 . 1 1 8 8 ARG HG3 H 1 1.15 0.05 . 2 . . . . 8 ARG HG3 . 15364 1 91 . 1 1 8 8 ARG C C 13 174.7 0.5 . 1 . . . . 8 ARG C . 15364 1 92 . 1 1 8 8 ARG CA C 13 54.4 0.5 . 1 . . . . 8 ARG CA . 15364 1 93 . 1 1 8 8 ARG CB C 13 32.8 0.5 . 1 . . . . 8 ARG CB . 15364 1 94 . 1 1 8 8 ARG CD C 13 42.9 0.5 . 1 . . . . 8 ARG CD . 15364 1 95 . 1 1 8 8 ARG CG C 13 27.5 0.5 . 1 . . . . 8 ARG CG . 15364 1 96 . 1 1 8 8 ARG N N 15 125.7 0.2 . 1 . . . . 8 ARG N . 15364 1 97 . 1 1 9 9 CYS H H 1 8.35 0.05 . 1 . . . . 9 CYS H . 15364 1 98 . 1 1 9 9 CYS HA H 1 4.07 0.05 . 1 . . . . 9 CYS HA . 15364 1 99 . 1 1 9 9 CYS HB2 H 1 1.82 0.05 . 1 . . . . 9 CYS HB2 . 15364 1 100 . 1 1 9 9 CYS HB3 H 1 2.74 0.05 . 1 . . . . 9 CYS HB3 . 15364 1 101 . 1 1 9 9 CYS C C 13 178.6 0.5 . 1 . . . . 9 CYS C . 15364 1 102 . 1 1 9 9 CYS CA C 13 59.6 0.5 . 1 . . . . 9 CYS CA . 15364 1 103 . 1 1 9 9 CYS CB C 13 30.1 0.5 . 1 . . . . 9 CYS CB . 15364 1 104 . 1 1 9 9 CYS N N 15 129.3 0.2 . 1 . . . . 9 CYS N . 15364 1 105 . 1 1 10 10 TRP H H 1 8.64 0.05 . 1 . . . . 10 TRP H . 15364 1 106 . 1 1 10 10 TRP HA H 1 4.47 0.05 . 1 . . . . 10 TRP HA . 15364 1 107 . 1 1 10 10 TRP HB2 H 1 3.28 0.05 . 2 . . . . 10 TRP HB2 . 15364 1 108 . 1 1 10 10 TRP HB3 H 1 3.38 0.05 . 2 . . . . 10 TRP HB3 . 15364 1 109 . 1 1 10 10 TRP HD1 H 1 7.26 0.05 . 1 . . . . 10 TRP HD1 . 15364 1 110 . 1 1 10 10 TRP HE1 H 1 10.01 0.05 . 1 . . . . 10 TRP HE1 . 15364 1 111 . 1 1 10 10 TRP C C 13 176.9 0.5 . 1 . . . . 10 TRP C . 15364 1 112 . 1 1 10 10 TRP CA C 13 59.2 0.5 . 1 . . . . 10 TRP CA . 15364 1 113 . 1 1 10 10 TRP CB C 13 29.8 0.5 . 1 . . . . 10 TRP CB . 15364 1 114 . 1 1 10 10 TRP N N 15 129.3 0.2 . 1 . . . . 10 TRP N . 15364 1 115 . 1 1 10 10 TRP NE1 N 15 129.4 0.2 . 1 . . . . 10 TRP NE1 . 15364 1 116 . 1 1 11 11 ASN H H 1 9.31 0.05 . 1 . . . . 11 ASN H . 15364 1 117 . 1 1 11 11 ASN HA H 1 4.4 0.05 . 1 . . . . 11 ASN HA . 15364 1 118 . 1 1 11 11 ASN HB2 H 1 2.16 0.05 . 2 . . . . 11 ASN HB2 . 15364 1 119 . 1 1 11 11 ASN HB3 H 1 3.06 0.05 . 2 . . . . 11 ASN HB3 . 15364 1 120 . 1 1 11 11 ASN HD21 H 1 6.73 0.05 . 2 . . . . 11 ASN HD21 . 15364 1 121 . 1 1 11 11 ASN HD22 H 1 8.45 0.05 . 2 . . . . 11 ASN HD22 . 15364 1 122 . 1 1 11 11 ASN C C 13 175.9 0.5 . 1 . . . . 11 ASN C . 15364 1 123 . 1 1 11 11 ASN CA C 13 57.3 0.5 . 1 . . . . 11 ASN CA . 15364 1 124 . 1 1 11 11 ASN CB C 13 39.9 0.5 . 1 . . . . 11 ASN CB . 15364 1 125 . 1 1 11 11 ASN N N 15 121.4 0.2 . 1 . . . . 11 ASN N . 15364 1 126 . 1 1 11 11 ASN ND2 N 15 118 0.2 . 1 . . . . 11 ASN ND2 . 15364 1 127 . 1 1 12 12 CYS H H 1 8.92 0.05 . 1 . . . . 12 CYS H . 15364 1 128 . 1 1 12 12 CYS HA H 1 4.92 0.05 . 1 . . . . 12 CYS HA . 15364 1 129 . 1 1 12 12 CYS HB2 H 1 2.45 0.05 . 1 . . . . 12 CYS HB2 . 15364 1 130 . 1 1 12 12 CYS HB3 H 1 3.25 0.05 . 1 . . . . 12 CYS HB3 . 15364 1 131 . 1 1 12 12 CYS C C 13 176.6 0.5 . 1 . . . . 12 CYS C . 15364 1 132 . 1 1 12 12 CYS CA C 13 58.6 0.5 . 1 . . . . 12 CYS CA . 15364 1 133 . 1 1 12 12 CYS CB C 13 32.3 0.5 . 1 . . . . 12 CYS CB . 15364 1 134 . 1 1 12 12 CYS N N 15 117.4 0.2 . 1 . . . . 12 CYS N . 15364 1 135 . 1 1 13 13 GLY H H 1 7.91 0.05 . 1 . . . . 13 GLY H . 15364 1 136 . 1 1 13 13 GLY HA2 H 1 3.67 0.05 . 2 . . . . 13 GLY HA2 . 15364 1 137 . 1 1 13 13 GLY HA3 H 1 3.96 0.05 . 2 . . . . 13 GLY HA3 . 15364 1 138 . 1 1 13 13 GLY C C 13 174.1 0.5 . 1 . . . . 13 GLY C . 15364 1 139 . 1 1 13 13 GLY CA C 13 46.1 0.5 . 1 . . . . 13 GLY CA . 15364 1 140 . 1 1 13 13 GLY N N 15 113.8 0.2 . 1 . . . . 13 GLY N . 15364 1 141 . 1 1 14 14 LYS H H 1 8.16 0.05 . 1 . . . . 14 LYS H . 15364 1 142 . 1 1 14 14 LYS HA H 1 4.39 0.05 . 1 . . . . 14 LYS HA . 15364 1 143 . 1 1 14 14 LYS HB2 H 1 1.78 0.05 . 2 . . . . 14 LYS HB2 . 15364 1 144 . 1 1 14 14 LYS HB3 H 1 1.89 0.05 . 2 . . . . 14 LYS HB3 . 15364 1 145 . 1 1 14 14 LYS HD2 H 1 1.74 0.05 . 2 . . . . 14 LYS HD2 . 15364 1 146 . 1 1 14 14 LYS HD3 H 1 1.74 0.05 . 2 . . . . 14 LYS HD3 . 15364 1 147 . 1 1 14 14 LYS HE2 H 1 3.02 0.05 . 2 . . . . 14 LYS HE2 . 15364 1 148 . 1 1 14 14 LYS HE3 H 1 3.02 0.05 . 2 . . . . 14 LYS HE3 . 15364 1 149 . 1 1 14 14 LYS HG2 H 1 1.45 0.05 . 2 . . . . 14 LYS HG2 . 15364 1 150 . 1 1 14 14 LYS HG3 H 1 1.6 0.05 . 2 . . . . 14 LYS HG3 . 15364 1 151 . 1 1 14 14 LYS C C 13 175.9 0.5 . 1 . . . . 14 LYS C . 15364 1 152 . 1 1 14 14 LYS CA C 13 56.2 0.5 . 1 . . . . 14 LYS CA . 15364 1 153 . 1 1 14 14 LYS CB C 13 33.8 0.5 . 1 . . . . 14 LYS CB . 15364 1 154 . 1 1 14 14 LYS CD C 13 28.9 0.5 . 1 . . . . 14 LYS CD . 15364 1 155 . 1 1 14 14 LYS CE C 13 42.5 0.5 . 1 . . . . 14 LYS CE . 15364 1 156 . 1 1 14 14 LYS CG C 13 25.9 0.5 . 1 . . . . 14 LYS CG . 15364 1 157 . 1 1 14 14 LYS N N 15 121.6 0.2 . 1 . . . . 14 LYS N . 15364 1 158 . 1 1 15 15 GLU H H 1 8.5 0.05 . 1 . . . . 15 GLU H . 15364 1 159 . 1 1 15 15 GLU HA H 1 4.61 0.05 . 1 . . . . 15 GLU HA . 15364 1 160 . 1 1 15 15 GLU HB2 H 1 1.9 0.05 . 2 . . . . 15 GLU HB2 . 15364 1 161 . 1 1 15 15 GLU HB3 H 1 1.9 0.05 . 2 . . . . 15 GLU HB3 . 15364 1 162 . 1 1 15 15 GLU HG2 H 1 2.07 0.05 . 2 . . . . 15 GLU HG2 . 15364 1 163 . 1 1 15 15 GLU HG3 H 1 2.29 0.05 . 2 . . . . 15 GLU HG3 . 15364 1 164 . 1 1 15 15 GLU C C 13 178.9 0.5 . 1 . . . . 15 GLU C . 15364 1 165 . 1 1 15 15 GLU CA C 13 56.1 0.5 . 1 . . . . 15 GLU CA . 15364 1 166 . 1 1 15 15 GLU CB C 13 30.9 0.5 . 1 . . . . 15 GLU CB . 15364 1 167 . 1 1 15 15 GLU CG C 13 36.9 0.5 . 1 . . . . 15 GLU CG . 15364 1 168 . 1 1 15 15 GLU N N 15 118.4 0.2 . 1 . . . . 15 GLU N . 15364 1 169 . 1 1 16 16 GLY H H 1 8.8 0.05 . 1 . . . . 16 GLY H . 15364 1 170 . 1 1 16 16 GLY HA2 H 1 3.69 0.05 . 2 . . . . 16 GLY HA2 . 15364 1 171 . 1 1 16 16 GLY HA3 H 1 4.48 0.05 . 2 . . . . 16 GLY HA3 . 15364 1 172 . 1 1 16 16 GLY C C 13 173.9 0.5 . 1 . . . . 16 GLY C . 15364 1 173 . 1 1 16 16 GLY CA C 13 45.7 0.5 . 1 . . . . 16 GLY CA . 15364 1 174 . 1 1 16 16 GLY N N 15 107.7 0.2 . 1 . . . . 16 GLY N . 15364 1 175 . 1 1 17 17 HIS H H 1 7.15 0.05 . 1 . . . . 17 HIS H . 15364 1 176 . 1 1 17 17 HIS HA H 1 4.7 0.05 . 1 . . . . 17 HIS HA . 15364 1 177 . 1 1 17 17 HIS HB2 H 1 3.14 0.05 . 2 . . . . 17 HIS HB2 . 15364 1 178 . 1 1 17 17 HIS HB3 H 1 3.14 0.05 . 2 . . . . 17 HIS HB3 . 15364 1 179 . 1 1 17 17 HIS HD2 H 1 7.05 0.05 . 1 . . . . 17 HIS HD2 . 15364 1 180 . 1 1 17 17 HIS C C 13 170.7 0.5 . 1 . . . . 17 HIS C . 15364 1 181 . 1 1 17 17 HIS CA C 13 55.4 0.5 . 1 . . . . 17 HIS CA . 15364 1 182 . 1 1 17 17 HIS CB C 13 30 0.5 . 1 . . . . 17 HIS CB . 15364 1 183 . 1 1 17 17 HIS N N 15 113.9 0.2 . 1 . . . . 17 HIS N . 15364 1 184 . 1 1 18 18 SER H H 1 8.46 0.05 . 1 . . . . 18 SER H . 15364 1 185 . 1 1 18 18 SER HA H 1 4.79 0.05 . 1 . . . . 18 SER HA . 15364 1 186 . 1 1 18 18 SER HB2 H 1 3.84 0.05 . 1 . . . . 18 SER HB2 . 15364 1 187 . 1 1 18 18 SER HB3 H 1 4.14 0.05 . 1 . . . . 18 SER HB3 . 15364 1 188 . 1 1 18 18 SER C C 13 176.4 0.5 . 1 . . . . 18 SER C . 15364 1 189 . 1 1 18 18 SER CA C 13 55.9 0.5 . 1 . . . . 18 SER CA . 15364 1 190 . 1 1 18 18 SER CB C 13 66.5 0.5 . 1 . . . . 18 SER CB . 15364 1 191 . 1 1 18 18 SER N N 15 112.1 0.2 . 1 . . . . 18 SER N . 15364 1 192 . 1 1 19 19 ALA H H 1 9.03 0.05 . 1 . . . . 19 ALA H . 15364 1 193 . 1 1 19 19 ALA HA H 1 4.69 0.05 . 1 . . . . 19 ALA HA . 15364 1 194 . 1 1 19 19 ALA HB1 H 1 1.22 0.05 . 1 . . . . 19 ALA HB . 15364 1 195 . 1 1 19 19 ALA HB2 H 1 1.22 0.05 . 1 . . . . 19 ALA HB . 15364 1 196 . 1 1 19 19 ALA HB3 H 1 1.22 0.05 . 1 . . . . 19 ALA HB . 15364 1 197 . 1 1 19 19 ALA C C 13 180.6 0.5 . 1 . . . . 19 ALA C . 15364 1 198 . 1 1 19 19 ALA CA C 13 56.2 0.5 . 1 . . . . 19 ALA CA . 15364 1 199 . 1 1 19 19 ALA CB C 13 18.4 0.5 . 1 . . . . 19 ALA CB . 15364 1 200 . 1 1 19 19 ALA N N 15 124.5 0.2 . 1 . . . . 19 ALA N . 15364 1 201 . 1 1 20 20 ARG H H 1 8.27 0.05 . 1 . . . . 20 ARG H . 15364 1 202 . 1 1 20 20 ARG HA H 1 4.09 0.05 . 1 . . . . 20 ARG HA . 15364 1 203 . 1 1 20 20 ARG HB2 H 1 1.82 0.05 . 2 . . . . 20 ARG HB2 . 15364 1 204 . 1 1 20 20 ARG HB3 H 1 1.82 0.05 . 2 . . . . 20 ARG HB3 . 15364 1 205 . 1 1 20 20 ARG HD2 H 1 3.21 0.05 . 2 . . . . 20 ARG HD2 . 15364 1 206 . 1 1 20 20 ARG HD3 H 1 3.21 0.05 . 2 . . . . 20 ARG HD3 . 15364 1 207 . 1 1 20 20 ARG HG2 H 1 1.66 0.05 . 2 . . . . 20 ARG HG2 . 15364 1 208 . 1 1 20 20 ARG HG3 H 1 1.66 0.05 . 2 . . . . 20 ARG HG3 . 15364 1 209 . 1 1 20 20 ARG C C 13 177.5 0.5 . 1 . . . . 20 ARG C . 15364 1 210 . 1 1 20 20 ARG CA C 13 58.5 0.5 . 1 . . . . 20 ARG CA . 15364 1 211 . 1 1 20 20 ARG CB C 13 29.9 0.5 . 1 . . . . 20 ARG CB . 15364 1 212 . 1 1 20 20 ARG CD C 13 43.2 0.5 . 1 . . . . 20 ARG CD . 15364 1 213 . 1 1 20 20 ARG CG C 13 27.3 0.5 . 1 . . . . 20 ARG CG . 15364 1 214 . 1 1 20 20 ARG N N 15 116.7 0.2 . 1 . . . . 20 ARG N . 15364 1 215 . 1 1 21 21 GLN H H 1 7.81 0.05 . 1 . . . . 21 GLN H . 15364 1 216 . 1 1 21 21 GLN HA H 1 4.37 0.05 . 1 . . . . 21 GLN HA . 15364 1 217 . 1 1 21 21 GLN HB2 H 1 2.24 0.05 . 2 . . . . 21 GLN HB2 . 15364 1 218 . 1 1 21 21 GLN HB3 H 1 2.24 0.05 . 2 . . . . 21 GLN HB3 . 15364 1 219 . 1 1 21 21 GLN HE21 H 1 6.94 0.05 . 2 . . . . 21 GLN HE21 . 15364 1 220 . 1 1 21 21 GLN HE22 H 1 7.67 0.05 . 2 . . . . 21 GLN HE22 . 15364 1 221 . 1 1 21 21 GLN HG2 H 1 2.25 0.05 . 2 . . . . 21 GLN HG2 . 15364 1 222 . 1 1 21 21 GLN HG3 H 1 2.4 0.05 . 2 . . . . 21 GLN HG3 . 15364 1 223 . 1 1 21 21 GLN C C 13 175.4 0.5 . 1 . . . . 21 GLN C . 15364 1 224 . 1 1 21 21 GLN CA C 13 55.1 0.5 . 1 . . . . 21 GLN CA . 15364 1 225 . 1 1 21 21 GLN CB C 13 31.3 0.5 . 1 . . . . 21 GLN CB . 15364 1 226 . 1 1 21 21 GLN CG C 13 34.5 0.5 . 1 . . . . 21 GLN CG . 15364 1 227 . 1 1 21 21 GLN N N 15 116.2 0.2 . 1 . . . . 21 GLN N . 15364 1 228 . 1 1 21 21 GLN NE2 N 15 112.8 0.2 . 1 . . . . 21 GLN NE2 . 15364 1 229 . 1 1 22 22 CYS H H 1 7.51 0.05 . 1 . . . . 22 CYS H . 15364 1 230 . 1 1 22 22 CYS HA H 1 3.64 0.05 . 1 . . . . 22 CYS HA . 15364 1 231 . 1 1 22 22 CYS HB2 H 1 2.95 0.05 . 2 . . . . 22 CYS HB2 . 15364 1 232 . 1 1 22 22 CYS HB3 H 1 3.4 0.05 . 2 . . . . 22 CYS HB3 . 15364 1 233 . 1 1 22 22 CYS C C 13 177 0.5 . 1 . . . . 22 CYS C . 15364 1 234 . 1 1 22 22 CYS CA C 13 62.8 0.5 . 1 . . . . 22 CYS CA . 15364 1 235 . 1 1 22 22 CYS CB C 13 31 0.5 . 1 . . . . 22 CYS CB . 15364 1 236 . 1 1 22 22 CYS N N 15 123.8 0.2 . 1 . . . . 22 CYS N . 15364 1 237 . 1 1 23 23 ARG H H 1 8.87 0.05 . 1 . . . . 23 ARG H . 15364 1 238 . 1 1 23 23 ARG HA H 1 4.5 0.05 . 1 . . . . 23 ARG HA . 15364 1 239 . 1 1 23 23 ARG HB2 H 1 1.62 0.05 . 2 . . . . 23 ARG HB2 . 15364 1 240 . 1 1 23 23 ARG HB3 H 1 2.04 0.05 . 2 . . . . 23 ARG HB3 . 15364 1 241 . 1 1 23 23 ARG HD2 H 1 3.11 0.05 . 2 . . . . 23 ARG HD2 . 15364 1 242 . 1 1 23 23 ARG HD3 H 1 3.11 0.05 . 2 . . . . 23 ARG HD3 . 15364 1 243 . 1 1 23 23 ARG HG2 H 1 1.52 0.05 . 2 . . . . 23 ARG HG2 . 15364 1 244 . 1 1 23 23 ARG HG3 H 1 1.63 0.05 . 2 . . . . 23 ARG HG3 . 15364 1 245 . 1 1 23 23 ARG C C 13 176.2 0.5 . 1 . . . . 23 ARG C . 15364 1 246 . 1 1 23 23 ARG CA C 13 55.3 0.5 . 1 . . . . 23 ARG CA . 15364 1 247 . 1 1 23 23 ARG CB C 13 30.3 0.5 . 1 . . . . 23 ARG CB . 15364 1 248 . 1 1 23 23 ARG CD C 13 42.9 0.5 . 1 . . . . 23 ARG CD . 15364 1 249 . 1 1 23 23 ARG CG C 13 26.9 0.5 . 1 . . . . 23 ARG CG . 15364 1 250 . 1 1 23 23 ARG N N 15 128.2 0.2 . 1 . . . . 23 ARG N . 15364 1 251 . 1 1 24 24 ALA H H 1 8.78 0.05 . 1 . . . . 24 ALA H . 15364 1 252 . 1 1 24 24 ALA HA H 1 4.55 0.05 . 1 . . . . 24 ALA HA . 15364 1 253 . 1 1 24 24 ALA HB1 H 1 1.35 0.05 . 1 . . . . 24 ALA HB . 15364 1 254 . 1 1 24 24 ALA HB2 H 1 1.35 0.05 . 1 . . . . 24 ALA HB . 15364 1 255 . 1 1 24 24 ALA HB3 H 1 1.35 0.05 . 1 . . . . 24 ALA HB . 15364 1 256 . 1 1 24 24 ALA C C 13 174.5 0.5 . 1 . . . . 24 ALA C . 15364 1 257 . 1 1 24 24 ALA CA C 13 51.1 0.5 . 1 . . . . 24 ALA CA . 15364 1 258 . 1 1 24 24 ALA CB C 13 17.9 0.5 . 1 . . . . 24 ALA CB . 15364 1 259 . 1 1 24 24 ALA N N 15 128.3 0.2 . 1 . . . . 24 ALA N . 15364 1 260 . 1 1 25 25 PRO HA H 1 4.28 0.05 . 1 . . . . 25 PRO HA . 15364 1 261 . 1 1 25 25 PRO HB2 H 1 1.71 0.05 . 2 . . . . 25 PRO HB2 . 15364 1 262 . 1 1 25 25 PRO HB3 H 1 2.28 0.05 . 2 . . . . 25 PRO HB3 . 15364 1 263 . 1 1 25 25 PRO HD2 H 1 3.5 0.05 . 2 . . . . 25 PRO HD2 . 15364 1 264 . 1 1 25 25 PRO HD3 H 1 3.77 0.05 . 2 . . . . 25 PRO HD3 . 15364 1 265 . 1 1 25 25 PRO HG2 H 1 1.95 0.05 . 2 . . . . 25 PRO HG2 . 15364 1 266 . 1 1 25 25 PRO HG3 H 1 2.03 0.05 . 2 . . . . 25 PRO HG3 . 15364 1 267 . 1 1 25 25 PRO CA C 13 62.8 0.5 . 1 . . . . 25 PRO CA . 15364 1 268 . 1 1 25 25 PRO CB C 13 31.8 0.5 . 1 . . . . 25 PRO CB . 15364 1 269 . 1 1 25 25 PRO CD C 13 50.2 0.5 . 1 . . . . 25 PRO CD . 15364 1 270 . 1 1 25 25 PRO CG C 13 27.8 0.5 . 1 . . . . 25 PRO CG . 15364 1 271 . 1 1 26 26 ARG H H 1 8.66 0.05 . 1 . . . . 26 ARG H . 15364 1 272 . 1 1 26 26 ARG HA H 1 4.33 0.05 . 1 . . . . 26 ARG HA . 15364 1 273 . 1 1 26 26 ARG HB2 H 1 1.78 0.05 . 2 . . . . 26 ARG HB2 . 15364 1 274 . 1 1 26 26 ARG HB3 H 1 1.78 0.05 . 2 . . . . 26 ARG HB3 . 15364 1 275 . 1 1 26 26 ARG HD2 H 1 3.13 0.05 . 2 . . . . 26 ARG HD2 . 15364 1 276 . 1 1 26 26 ARG HD3 H 1 3.13 0.05 . 2 . . . . 26 ARG HD3 . 15364 1 277 . 1 1 26 26 ARG HG2 H 1 1.7 0.05 . 2 . . . . 26 ARG HG2 . 15364 1 278 . 1 1 26 26 ARG HG3 H 1 1.7 0.05 . 2 . . . . 26 ARG HG3 . 15364 1 279 . 1 1 26 26 ARG CA C 13 55.8 0.5 . 1 . . . . 26 ARG CA . 15364 1 280 . 1 1 26 26 ARG CB C 13 30.1 0.5 . 1 . . . . 26 ARG CB . 15364 1 281 . 1 1 26 26 ARG CD C 13 43.3 0.5 . 1 . . . . 26 ARG CD . 15364 1 282 . 1 1 26 26 ARG CG C 13 26.9 0.5 . 1 . . . . 26 ARG CG . 15364 1 283 . 1 1 26 26 ARG N N 15 124 0.2 . 1 . . . . 26 ARG N . 15364 1 284 . 1 1 27 27 ARG H H 1 8.99 0.05 . 1 . . . . 27 ARG H . 15364 1 285 . 1 1 27 27 ARG HA H 1 4.33 0.05 . 1 . . . . 27 ARG HA . 15364 1 286 . 1 1 27 27 ARG HB2 H 1 1.86 0.05 . 2 . . . . 27 ARG HB2 . 15364 1 287 . 1 1 27 27 ARG HB3 H 1 1.86 0.05 . 2 . . . . 27 ARG HB3 . 15364 1 288 . 1 1 27 27 ARG HD2 H 1 3.06 0.05 . 2 . . . . 27 ARG HD2 . 15364 1 289 . 1 1 27 27 ARG HD3 H 1 3.06 0.05 . 2 . . . . 27 ARG HD3 . 15364 1 290 . 1 1 27 27 ARG HE H 1 6.93 0.05 . 1 . . . . 27 ARG HE . 15364 1 291 . 1 1 27 27 ARG HG2 H 1 1.66 0.05 . 2 . . . . 27 ARG HG2 . 15364 1 292 . 1 1 27 27 ARG HG3 H 1 1.66 0.05 . 2 . . . . 27 ARG HG3 . 15364 1 293 . 1 1 27 27 ARG CA C 13 56.2 0.5 . 1 . . . . 27 ARG CA . 15364 1 294 . 1 1 27 27 ARG CB C 13 31.1 0.5 . 1 . . . . 27 ARG CB . 15364 1 295 . 1 1 27 27 ARG CD C 13 43.7 0.5 . 1 . . . . 27 ARG CD . 15364 1 296 . 1 1 27 27 ARG CG C 13 26.9 0.5 . 1 . . . . 27 ARG CG . 15364 1 297 . 1 1 27 27 ARG N N 15 127.5 0.2 . 1 . . . . 27 ARG N . 15364 1 298 . 1 1 27 27 ARG NE N 15 112.2 0.2 . 1 . . . . 27 ARG NE . 15364 1 299 . 1 1 28 28 GLN H H 1 8.65 0.05 . 1 . . . . 28 GLN H . 15364 1 300 . 1 1 28 28 GLN HA H 1 4.33 0.05 . 1 . . . . 28 GLN HA . 15364 1 301 . 1 1 28 28 GLN HB2 H 1 1.94 0.05 . 2 . . . . 28 GLN HB2 . 15364 1 302 . 1 1 28 28 GLN HB3 H 1 2.07 0.05 . 2 . . . . 28 GLN HB3 . 15364 1 303 . 1 1 28 28 GLN HE21 H 1 6.92 0.05 . 2 . . . . 28 GLN HE21 . 15364 1 304 . 1 1 28 28 GLN HE22 H 1 7.59 0.05 . 2 . . . . 28 GLN HE22 . 15364 1 305 . 1 1 28 28 GLN HG2 H 1 2.38 0.05 . 2 . . . . 28 GLN HG2 . 15364 1 306 . 1 1 28 28 GLN HG3 H 1 2.38 0.05 . 2 . . . . 28 GLN HG3 . 15364 1 307 . 1 1 28 28 GLN C C 13 176.2 0.5 . 1 . . . . 28 GLN C . 15364 1 308 . 1 1 28 28 GLN CA C 13 55.8 0.5 . 1 . . . . 28 GLN CA . 15364 1 309 . 1 1 28 28 GLN CB C 13 29.5 0.5 . 1 . . . . 28 GLN CB . 15364 1 310 . 1 1 28 28 GLN CG C 13 33.8 0.5 . 1 . . . . 28 GLN CG . 15364 1 311 . 1 1 28 28 GLN N N 15 122.4 0.2 . 1 . . . . 28 GLN N . 15364 1 312 . 1 1 28 28 GLN NE2 N 15 112.9 0.2 . 1 . . . . 28 GLN NE2 . 15364 1 313 . 1 1 29 29 GLY H H 1 8.27 0.05 . 1 . . . . 29 GLY H . 15364 1 314 . 1 1 29 29 GLY HA2 H 1 3.74 0.05 . 2 . . . . 29 GLY HA2 . 15364 1 315 . 1 1 29 29 GLY HA3 H 1 3.74 0.05 . 2 . . . . 29 GLY HA3 . 15364 1 316 . 1 1 29 29 GLY C C 13 172.8 0.5 . 1 . . . . 29 GLY C . 15364 1 317 . 1 1 29 29 GLY CA C 13 44.5 0.5 . 1 . . . . 29 GLY CA . 15364 1 318 . 1 1 29 29 GLY N N 15 109.6 0.2 . 1 . . . . 29 GLY N . 15364 1 319 . 1 1 30 30 CYS H H 1 8.28 0.05 . 1 . . . . 30 CYS H . 15364 1 320 . 1 1 30 30 CYS HA H 1 4.06 0.05 . 1 . . . . 30 CYS HA . 15364 1 321 . 1 1 30 30 CYS HB2 H 1 2.06 0.05 . 2 . . . . 30 CYS HB2 . 15364 1 322 . 1 1 30 30 CYS HB3 H 1 2.85 0.05 . 2 . . . . 30 CYS HB3 . 15364 1 323 . 1 1 30 30 CYS CA C 13 59.6 0.5 . 1 . . . . 30 CYS CA . 15364 1 324 . 1 1 30 30 CYS CB C 13 35 0.5 . 1 . . . . 30 CYS CB . 15364 1 325 . 1 1 30 30 CYS N N 15 124.2 0.2 . 1 . . . . 30 CYS N . 15364 1 326 . 1 1 31 31 TRP H H 1 8.44 0.05 . 1 . . . . 31 TRP H . 15364 1 327 . 1 1 31 31 TRP HA H 1 4.45 0.05 . 1 . . . . 31 TRP HA . 15364 1 328 . 1 1 31 31 TRP HB2 H 1 3.4 0.05 . 2 . . . . 31 TRP HB2 . 15364 1 329 . 1 1 31 31 TRP HB3 H 1 3.4 0.05 . 2 . . . . 31 TRP HB3 . 15364 1 330 . 1 1 31 31 TRP HD1 H 1 7.17 0.05 . 1 . . . . 31 TRP HD1 . 15364 1 331 . 1 1 31 31 TRP HE1 H 1 10.12 0.05 . 1 . . . . 31 TRP HE1 . 15364 1 332 . 1 1 31 31 TRP CA C 13 58.6 0.5 . 1 . . . . 31 TRP CA . 15364 1 333 . 1 1 31 31 TRP CB C 13 29.7 0.5 . 1 . . . . 31 TRP CB . 15364 1 334 . 1 1 31 31 TRP N N 15 129.8 0.2 . 1 . . . . 31 TRP N . 15364 1 335 . 1 1 31 31 TRP NE1 N 15 129 0.2 . 1 . . . . 31 TRP NE1 . 15364 1 336 . 1 1 32 32 LYS H H 1 9.24 0.05 . 1 . . . . 32 LYS H . 15364 1 337 . 1 1 32 32 LYS HA H 1 4.32 0.05 . 1 . . . . 32 LYS HA . 15364 1 338 . 1 1 32 32 LYS HB2 H 1 2.18 0.05 . 2 . . . . 32 LYS HB2 . 15364 1 339 . 1 1 32 32 LYS HB3 H 1 2.18 0.05 . 2 . . . . 32 LYS HB3 . 15364 1 340 . 1 1 32 32 LYS HD2 H 1 1.23 0.05 . 2 . . . . 32 LYS HD2 . 15364 1 341 . 1 1 32 32 LYS HD3 H 1 1.23 0.05 . 2 . . . . 32 LYS HD3 . 15364 1 342 . 1 1 32 32 LYS HG2 H 1 1.58 0.05 . 2 . . . . 32 LYS HG2 . 15364 1 343 . 1 1 32 32 LYS HG3 H 1 1.58 0.05 . 2 . . . . 32 LYS HG3 . 15364 1 344 . 1 1 32 32 LYS C C 13 176.7 0.5 . 1 . . . . 32 LYS C . 15364 1 345 . 1 1 32 32 LYS CA C 13 58.7 0.5 . 1 . . . . 32 LYS CA . 15364 1 346 . 1 1 32 32 LYS CB C 13 33.2 0.5 . 1 . . . . 32 LYS CB . 15364 1 347 . 1 1 32 32 LYS CD C 13 22.6 0.5 . 1 . . . . 32 LYS CD . 15364 1 348 . 1 1 32 32 LYS CG C 13 25.8 0.5 . 1 . . . . 32 LYS CG . 15364 1 349 . 1 1 32 32 LYS N N 15 122.7 0.2 . 1 . . . . 32 LYS N . 15364 1 350 . 1 1 33 33 CYS H H 1 8.51 0.05 . 1 . . . . 33 CYS H . 15364 1 351 . 1 1 33 33 CYS HA H 1 4.94 0.05 . 1 . . . . 33 CYS HA . 15364 1 352 . 1 1 33 33 CYS HB2 H 1 3.21 0.05 . 1 . . . . 33 CYS HB2 . 15364 1 353 . 1 1 33 33 CYS HB3 H 1 2.49 0.05 . 1 . . . . 33 CYS HB3 . 15364 1 354 . 1 1 33 33 CYS C C 13 176.9 0.5 . 1 . . . . 33 CYS C . 15364 1 355 . 1 1 33 33 CYS CA C 13 58.9 0.5 . 1 . . . . 33 CYS CA . 15364 1 356 . 1 1 33 33 CYS CB C 13 32.7 0.5 . 1 . . . . 33 CYS CB . 15364 1 357 . 1 1 33 33 CYS N N 15 117.4 0.2 . 1 . . . . 33 CYS N . 15364 1 358 . 1 1 34 34 GLY H H 1 8.11 0.05 . 1 . . . . 34 GLY H . 15364 1 359 . 1 1 34 34 GLY HA2 H 1 3.63 0.05 . 2 . . . . 34 GLY HA2 . 15364 1 360 . 1 1 34 34 GLY HA3 H 1 3.93 0.05 . 2 . . . . 34 GLY HA3 . 15364 1 361 . 1 1 34 34 GLY C C 13 174.3 0.5 . 1 . . . . 34 GLY C . 15364 1 362 . 1 1 34 34 GLY CA C 13 46.1 0.5 . 1 . . . . 34 GLY CA . 15364 1 363 . 1 1 34 34 GLY N N 15 113.9 0.2 . 1 . . . . 34 GLY N . 15364 1 364 . 1 1 35 35 LYS H H 1 8.33 0.05 . 1 . . . . 35 LYS H . 15364 1 365 . 1 1 35 35 LYS HA H 1 4.5 0.05 . 1 . . . . 35 LYS HA . 15364 1 366 . 1 1 35 35 LYS HB2 H 1 1.76 0.05 . 2 . . . . 35 LYS HB2 . 15364 1 367 . 1 1 35 35 LYS HB3 H 1 1.97 0.05 . 2 . . . . 35 LYS HB3 . 15364 1 368 . 1 1 35 35 LYS HD2 H 1 3.04 0.05 . 2 . . . . 35 LYS HD2 . 15364 1 369 . 1 1 35 35 LYS HD3 H 1 3.04 0.05 . 2 . . . . 35 LYS HD3 . 15364 1 370 . 1 1 35 35 LYS HG2 H 1 1.43 0.05 . 2 . . . . 35 LYS HG2 . 15364 1 371 . 1 1 35 35 LYS HG3 H 1 1.62 0.05 . 2 . . . . 35 LYS HG3 . 15364 1 372 . 1 1 35 35 LYS C C 13 176.7 0.5 . 1 . . . . 35 LYS C . 15364 1 373 . 1 1 35 35 LYS CA C 13 56.4 0.5 . 1 . . . . 35 LYS CA . 15364 1 374 . 1 1 35 35 LYS CB C 13 33.4 0.5 . 1 . . . . 35 LYS CB . 15364 1 375 . 1 1 35 35 LYS CG C 13 25.4 0.5 . 1 . . . . 35 LYS CG . 15364 1 376 . 1 1 35 35 LYS N N 15 121.9 0.2 . 1 . . . . 35 LYS N . 15364 1 377 . 1 1 36 36 THR H H 1 8.22 0.05 . 1 . . . . 36 THR H . 15364 1 378 . 1 1 36 36 THR HA H 1 4.28 0.05 . 1 . . . . 36 THR HA . 15364 1 379 . 1 1 36 36 THR HB H 1 4.23 0.05 . 1 . . . . 36 THR HB . 15364 1 380 . 1 1 36 36 THR HG21 H 1 1.16 0.05 . 1 . . . . 36 THR HG2 . 15364 1 381 . 1 1 36 36 THR HG22 H 1 1.16 0.05 . 1 . . . . 36 THR HG2 . 15364 1 382 . 1 1 36 36 THR HG23 H 1 1.16 0.05 . 1 . . . . 36 THR HG2 . 15364 1 383 . 1 1 36 36 THR C C 13 176.4 0.5 . 1 . . . . 36 THR C . 15364 1 384 . 1 1 36 36 THR CA C 13 61.8 0.5 . 1 . . . . 36 THR CA . 15364 1 385 . 1 1 36 36 THR CB C 13 69.2 0.5 . 1 . . . . 36 THR CB . 15364 1 386 . 1 1 36 36 THR CG2 C 13 21.8 0.5 . 1 . . . . 36 THR CG2 . 15364 1 387 . 1 1 36 36 THR N N 15 110.2 0.2 . 1 . . . . 36 THR N . 15364 1 388 . 1 1 37 37 GLY H H 1 8.6 0.05 . 1 . . . . 37 GLY H . 15364 1 389 . 1 1 37 37 GLY HA2 H 1 3.72 0.05 . 2 . . . . 37 GLY HA2 . 15364 1 390 . 1 1 37 37 GLY HA3 H 1 4.29 0.05 . 2 . . . . 37 GLY HA3 . 15364 1 391 . 1 1 37 37 GLY C C 13 173.7 0.5 . 1 . . . . 37 GLY C . 15364 1 392 . 1 1 37 37 GLY CA C 13 45.6 0.5 . 1 . . . . 37 GLY CA . 15364 1 393 . 1 1 37 37 GLY N N 15 107.9 0.2 . 1 . . . . 37 GLY N . 15364 1 394 . 1 1 38 38 HIS H H 1 7.1 0.05 . 1 . . . . 38 HIS H . 15364 1 395 . 1 1 38 38 HIS HA H 1 4.9 0.05 . 1 . . . . 38 HIS HA . 15364 1 396 . 1 1 38 38 HIS HB2 H 1 3.07 0.05 . 2 . . . . 38 HIS HB2 . 15364 1 397 . 1 1 38 38 HIS HB3 H 1 3.18 0.05 . 2 . . . . 38 HIS HB3 . 15364 1 398 . 1 1 38 38 HIS HD2 H 1 7.19 0.05 . 1 . . . . 38 HIS HD2 . 15364 1 399 . 1 1 38 38 HIS CA C 13 43.3 0.5 . 1 . . . . 38 HIS CA . 15364 1 400 . 1 1 38 38 HIS CB C 13 27.7 0.5 . 1 . . . . 38 HIS CB . 15364 1 401 . 1 1 38 38 HIS N N 15 112.6 0.2 . 1 . . . . 38 HIS N . 15364 1 402 . 1 1 39 39 VAL H H 1 7.94 0.05 . 1 . . . . 39 VAL H . 15364 1 403 . 1 1 39 39 VAL HA H 1 4.58 0.05 . 1 . . . . 39 VAL HA . 15364 1 404 . 1 1 39 39 VAL HB H 1 2.35 0.05 . 1 . . . . 39 VAL HB . 15364 1 405 . 1 1 39 39 VAL HG11 H 1 0.88 0.05 . 2 . . . . 39 VAL HG1 . 15364 1 406 . 1 1 39 39 VAL HG12 H 1 0.88 0.05 . 2 . . . . 39 VAL HG1 . 15364 1 407 . 1 1 39 39 VAL HG13 H 1 0.88 0.05 . 2 . . . . 39 VAL HG1 . 15364 1 408 . 1 1 39 39 VAL HG21 H 1 0.88 0.05 . 2 . . . . 39 VAL HG2 . 15364 1 409 . 1 1 39 39 VAL HG22 H 1 0.88 0.05 . 2 . . . . 39 VAL HG2 . 15364 1 410 . 1 1 39 39 VAL HG23 H 1 0.88 0.05 . 2 . . . . 39 VAL HG2 . 15364 1 411 . 1 1 39 39 VAL C C 13 172.8 0.5 . 1 . . . . 39 VAL C . 15364 1 412 . 1 1 39 39 VAL CA C 13 59.2 0.5 . 1 . . . . 39 VAL CA . 15364 1 413 . 1 1 39 39 VAL CB C 13 33.7 0.5 . 1 . . . . 39 VAL CB . 15364 1 414 . 1 1 39 39 VAL CG1 C 13 21.4 0.5 . 2 . . . . 39 VAL CG1 . 15364 1 415 . 1 1 39 39 VAL CG2 C 13 21.4 0.5 . 2 . . . . 39 VAL CG2 . 15364 1 416 . 1 1 39 39 VAL N N 15 110.5 0.2 . 1 . . . . 39 VAL N . 15364 1 417 . 1 1 40 40 MET H H 1 8.81 0.05 . 1 . . . . 40 MET H . 15364 1 418 . 1 1 40 40 MET HA H 1 4.77 0.05 . 1 . . . . 40 MET HA . 15364 1 419 . 1 1 40 40 MET HB2 H 1 2.08 0.05 . 2 . . . . 40 MET HB2 . 15364 1 420 . 1 1 40 40 MET HB3 H 1 2.08 0.05 . 2 . . . . 40 MET HB3 . 15364 1 421 . 1 1 40 40 MET HG2 H 1 2.45 0.05 . 2 . . . . 40 MET HG2 . 15364 1 422 . 1 1 40 40 MET HG3 H 1 2.45 0.05 . 2 . . . . 40 MET HG3 . 15364 1 423 . 1 1 40 40 MET C C 13 178.3 0.5 . 1 . . . . 40 MET C . 15364 1 424 . 1 1 40 40 MET CA C 13 60.1 0.5 . 1 . . . . 40 MET CA . 15364 1 425 . 1 1 40 40 MET CB C 13 32.8 0.5 . 1 . . . . 40 MET CB . 15364 1 426 . 1 1 40 40 MET CG C 13 31.8 0.5 . 1 . . . . 40 MET CG . 15364 1 427 . 1 1 40 40 MET N N 15 122.4 0.2 . 1 . . . . 40 MET N . 15364 1 428 . 1 1 41 41 ALA H H 1 8.53 0.05 . 1 . . . . 41 ALA H . 15364 1 429 . 1 1 41 41 ALA HA H 1 4.1 0.05 . 1 . . . . 41 ALA HA . 15364 1 430 . 1 1 41 41 ALA HB1 H 1 1.4 0.05 . 1 . . . . 41 ALA HB . 15364 1 431 . 1 1 41 41 ALA HB2 H 1 1.4 0.05 . 1 . . . . 41 ALA HB . 15364 1 432 . 1 1 41 41 ALA HB3 H 1 1.4 0.05 . 1 . . . . 41 ALA HB . 15364 1 433 . 1 1 41 41 ALA C C 13 178.3 0.5 . 1 . . . . 41 ALA C . 15364 1 434 . 1 1 41 41 ALA CA C 13 54.4 0.5 . 1 . . . . 41 ALA CA . 15364 1 435 . 1 1 41 41 ALA CB C 13 18.8 0.5 . 1 . . . . 41 ALA CB . 15364 1 436 . 1 1 41 41 ALA N N 15 120.8 0.2 . 1 . . . . 41 ALA N . 15364 1 437 . 1 1 42 42 LYS H H 1 7.9 0.05 . 1 . . . . 42 LYS H . 15364 1 438 . 1 1 42 42 LYS HA H 1 4.48 0.05 . 1 . . . . 42 LYS HA . 15364 1 439 . 1 1 42 42 LYS HB2 H 1 2.09 0.05 . 1 . . . . 42 LYS HB2 . 15364 1 440 . 1 1 42 42 LYS HB3 H 1 1.63 0.05 . 1 . . . . 42 LYS HB3 . 15364 1 441 . 1 1 42 42 LYS HE2 H 1 2.93 0.05 . 2 . . . . 42 LYS HE2 . 15364 1 442 . 1 1 42 42 LYS HE3 H 1 2.93 0.05 . 2 . . . . 42 LYS HE3 . 15364 1 443 . 1 1 42 42 LYS HG2 H 1 1.21 0.05 . 2 . . . . 42 LYS HG2 . 15364 1 444 . 1 1 42 42 LYS HG3 H 1 1.4 0.05 . 2 . . . . 42 LYS HG3 . 15364 1 445 . 1 1 42 42 LYS C C 13 175.4 0.5 . 1 . . . . 42 LYS C . 15364 1 446 . 1 1 42 42 LYS CA C 13 53.5 0.5 . 1 . . . . 42 LYS CA . 15364 1 447 . 1 1 42 42 LYS CB C 13 32.7 0.5 . 1 . . . . 42 LYS CB . 15364 1 448 . 1 1 42 42 LYS CG C 13 24.7 0.5 . 1 . . . . 42 LYS CG . 15364 1 449 . 1 1 42 42 LYS N N 15 115.2 0.2 . 1 . . . . 42 LYS N . 15364 1 450 . 1 1 43 43 CYS H H 1 7.57 0.05 . 1 . . . . 43 CYS H . 15364 1 451 . 1 1 43 43 CYS HA H 1 4.02 0.05 . 1 . . . . 43 CYS HA . 15364 1 452 . 1 1 43 43 CYS HB2 H 1 2.79 0.05 . 2 . . . . 43 CYS HB2 . 15364 1 453 . 1 1 43 43 CYS HB3 H 1 3.29 0.05 . 2 . . . . 43 CYS HB3 . 15364 1 454 . 1 1 43 43 CYS CA C 13 58.6 0.5 . 1 . . . . 43 CYS CA . 15364 1 455 . 1 1 43 43 CYS CB C 13 30.8 0.5 . 1 . . . . 43 CYS CB . 15364 1 456 . 1 1 43 43 CYS N N 15 125.6 0.2 . 1 . . . . 43 CYS N . 15364 1 457 . 1 1 44 44 PRO HA H 1 4.43 0.05 . 1 . . . . 44 PRO HA . 15364 1 458 . 1 1 44 44 PRO HB2 H 1 1.93 0.05 . 2 . . . . 44 PRO HB2 . 15364 1 459 . 1 1 44 44 PRO HB3 H 1 2.15 0.05 . 2 . . . . 44 PRO HB3 . 15364 1 460 . 1 1 44 44 PRO HD2 H 1 3 0.05 . 2 . . . . 44 PRO HD2 . 15364 1 461 . 1 1 44 44 PRO HD3 H 1 3.62 0.05 . 2 . . . . 44 PRO HD3 . 15364 1 462 . 1 1 44 44 PRO HG2 H 1 1.79 0.05 . 2 . . . . 44 PRO HG2 . 15364 1 463 . 1 1 44 44 PRO HG3 H 1 1.85 0.05 . 2 . . . . 44 PRO HG3 . 15364 1 464 . 1 1 44 44 PRO CA C 13 63.8 0.5 . 1 . . . . 44 PRO CA . 15364 1 465 . 1 1 44 44 PRO CB C 13 32.2 0.5 . 1 . . . . 44 PRO CB . 15364 1 466 . 1 1 44 44 PRO CD C 13 50.4 0.5 . 1 . . . . 44 PRO CD . 15364 1 467 . 1 1 44 44 PRO CG C 13 26.7 0.5 . 1 . . . . 44 PRO CG . 15364 1 468 . 1 1 45 45 GLU H H 1 8.67 0.05 . 1 . . . . 45 GLU H . 15364 1 469 . 1 1 45 45 GLU HA H 1 4.25 0.05 . 1 . . . . 45 GLU HA . 15364 1 470 . 1 1 45 45 GLU HB2 H 1 1.94 0.05 . 2 . . . . 45 GLU HB2 . 15364 1 471 . 1 1 45 45 GLU HB3 H 1 2.11 0.05 . 2 . . . . 45 GLU HB3 . 15364 1 472 . 1 1 45 45 GLU HG2 H 1 2.18 0.05 . 2 . . . . 45 GLU HG2 . 15364 1 473 . 1 1 45 45 GLU HG3 H 1 2.3 0.05 . 2 . . . . 45 GLU HG3 . 15364 1 474 . 1 1 45 45 GLU CA C 13 56.6 0.5 . 1 . . . . 45 GLU CA . 15364 1 475 . 1 1 45 45 GLU CB C 13 28.8 0.5 . 1 . . . . 45 GLU CB . 15364 1 476 . 1 1 45 45 GLU CG C 13 35.9 0.5 . 1 . . . . 45 GLU CG . 15364 1 477 . 1 1 45 45 GLU N N 15 120.6 0.2 . 1 . . . . 45 GLU N . 15364 1 478 . 1 1 46 46 ARG H H 1 8.16 0.05 . 1 . . . . 46 ARG H . 15364 1 479 . 1 1 46 46 ARG HA H 1 4.24 0.05 . 1 . . . . 46 ARG HA . 15364 1 480 . 1 1 46 46 ARG HB2 H 1 1.78 0.05 . 2 . . . . 46 ARG HB2 . 15364 1 481 . 1 1 46 46 ARG HB3 H 1 1.84 0.05 . 2 . . . . 46 ARG HB3 . 15364 1 482 . 1 1 46 46 ARG HD2 H 1 3.18 0.05 . 2 . . . . 46 ARG HD2 . 15364 1 483 . 1 1 46 46 ARG HD3 H 1 3.18 0.05 . 2 . . . . 46 ARG HD3 . 15364 1 484 . 1 1 46 46 ARG HG2 H 1 1.59 0.05 . 2 . . . . 46 ARG HG2 . 15364 1 485 . 1 1 46 46 ARG HG3 H 1 1.59 0.05 . 2 . . . . 46 ARG HG3 . 15364 1 486 . 1 1 46 46 ARG C C 13 176.3 0.5 . 1 . . . . 46 ARG C . 15364 1 487 . 1 1 46 46 ARG CA C 13 56.3 0.5 . 1 . . . . 46 ARG CA . 15364 1 488 . 1 1 46 46 ARG CB C 13 30.8 0.5 . 1 . . . . 46 ARG CB . 15364 1 489 . 1 1 46 46 ARG CG C 13 27 0.5 . 1 . . . . 46 ARG CG . 15364 1 490 . 1 1 46 46 ARG N N 15 121.2 0.2 . 1 . . . . 46 ARG N . 15364 1 491 . 1 1 47 47 GLN H H 1 8.47 0.05 . 1 . . . . 47 GLN H . 15364 1 492 . 1 1 47 47 GLN HA H 1 4.3 0.05 . 1 . . . . 47 GLN HA . 15364 1 493 . 1 1 47 47 GLN HB2 H 1 1.97 0.05 . 2 . . . . 47 GLN HB2 . 15364 1 494 . 1 1 47 47 GLN HB3 H 1 2.11 0.05 . 2 . . . . 47 GLN HB3 . 15364 1 495 . 1 1 47 47 GLN HE21 H 1 6.89 0.05 . 2 . . . . 47 GLN HE21 . 15364 1 496 . 1 1 47 47 GLN HE22 H 1 6.89 0.05 . 2 . . . . 47 GLN HE22 . 15364 1 497 . 1 1 47 47 GLN HG2 H 1 2.33 0.05 . 2 . . . . 47 GLN HG2 . 15364 1 498 . 1 1 47 47 GLN HG3 H 1 2.33 0.05 . 2 . . . . 47 GLN HG3 . 15364 1 499 . 1 1 47 47 GLN C C 13 175.7 0.5 . 1 . . . . 47 GLN C . 15364 1 500 . 1 1 47 47 GLN CA C 13 55.8 0.5 . 1 . . . . 47 GLN CA . 15364 1 501 . 1 1 47 47 GLN N N 15 121.3 0.2 . 1 . . . . 47 GLN N . 15364 1 502 . 1 1 47 47 GLN NE2 N 15 112.8 0.2 . 1 . . . . 47 GLN NE2 . 15364 1 503 . 1 1 48 48 ALA H H 1 8.42 0.05 . 1 . . . . 48 ALA H . 15364 1 504 . 1 1 48 48 ALA HA H 1 4.32 0.05 . 1 . . . . 48 ALA HA . 15364 1 505 . 1 1 48 48 ALA HB1 H 1 1.38 0.05 . 1 . . . . 48 ALA HB . 15364 1 506 . 1 1 48 48 ALA HB2 H 1 1.38 0.05 . 1 . . . . 48 ALA HB . 15364 1 507 . 1 1 48 48 ALA HB3 H 1 1.38 0.05 . 1 . . . . 48 ALA HB . 15364 1 508 . 1 1 48 48 ALA C C 13 177.3 0.5 . 1 . . . . 48 ALA C . 15364 1 509 . 1 1 48 48 ALA CA C 13 52.4 0.5 . 1 . . . . 48 ALA CA . 15364 1 510 . 1 1 48 48 ALA CB C 13 19.4 0.5 . 1 . . . . 48 ALA CB . 15364 1 511 . 1 1 48 48 ALA N N 15 126 0.2 . 1 . . . . 48 ALA N . 15364 1 512 . 1 1 49 49 GLY H H 1 8.08 0.05 . 1 . . . . 49 GLY H . 15364 1 513 . 1 1 49 49 GLY HA2 H 1 3.75 0.05 . 2 . . . . 49 GLY HA2 . 15364 1 514 . 1 1 49 49 GLY HA3 H 1 3.75 0.05 . 2 . . . . 49 GLY HA3 . 15364 1 515 . 1 1 49 49 GLY C C 13 179.4 0.5 . 1 . . . . 49 GLY C . 15364 1 516 . 1 1 49 49 GLY CA C 13 45.9 0.5 . 1 . . . . 49 GLY CA . 15364 1 517 . 1 1 49 49 GLY N N 15 114.7 0.2 . 1 . . . . 49 GLY N . 15364 1 stop_ save_