################################### # 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 16210 _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 . _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 1H,15N-HSQC . . . 16210 1 3 HNCACB . . . 16210 1 5 CBCACONH . . . 16210 1 7 HCCHTOCSY . . . 16210 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 SER C C 13 173.175 0.15 . 1 . . . . 1 S C . 16210 1 2 . 1 1 1 1 SER CB C 13 65.073 0.15 . 1 . . . . 1 S CB . 16210 1 3 . 1 1 2 2 VAL H H 1 8.368 0.05 . 1 . . . . 2 V H . 16210 1 4 . 1 1 2 2 VAL HA H 1 5.250 0.05 . 1 . . . . 2 V HA . 16210 1 5 . 1 1 2 2 VAL HB H 1 2.150 0.05 . 1 . . . . 2 V HB . 16210 1 6 . 1 1 2 2 VAL HG11 H 1 1.139 0.05 . 2 . . . . 2 V QG1 . 16210 1 7 . 1 1 2 2 VAL HG12 H 1 1.139 0.05 . 2 . . . . 2 V QG1 . 16210 1 8 . 1 1 2 2 VAL HG13 H 1 1.139 0.05 . 2 . . . . 2 V QG1 . 16210 1 9 . 1 1 2 2 VAL HG21 H 1 1.014 0.05 . 2 . . . . 2 V QG2 . 16210 1 10 . 1 1 2 2 VAL HG22 H 1 1.014 0.05 . 2 . . . . 2 V QG2 . 16210 1 11 . 1 1 2 2 VAL HG23 H 1 1.014 0.05 . 2 . . . . 2 V QG2 . 16210 1 12 . 1 1 2 2 VAL C C 13 176.070 0.15 . 1 . . . . 2 V C . 16210 1 13 . 1 1 2 2 VAL CA C 13 60.705 0.15 . 1 . . . . 2 V CA . 16210 1 14 . 1 1 2 2 VAL CB C 13 34.398 0.15 . 1 . . . . 2 V CB . 16210 1 15 . 1 1 2 2 VAL CG1 C 13 21.456 0.15 . 2 . . . . 2 V CG1 . 16210 1 16 . 1 1 2 2 VAL CG2 C 13 20.671 0.15 . 2 . . . . 2 V CG2 . 16210 1 17 . 1 1 2 2 VAL N N 15 119.964 0.15 . 1 . . . . 2 V N . 16210 1 18 . 1 1 3 3 CYS H H 1 9.183 0.05 . 1 . . . . 3 C H . 16210 1 19 . 1 1 3 3 CYS HA H 1 5.172 0.05 . 1 . . . . 3 C HA . 16210 1 20 . 1 1 3 3 CYS HB2 H 1 0.941 0.05 . 2 . . . . 3 C HB2 . 16210 1 21 . 1 1 3 3 CYS HB3 H 1 3.174 0.05 . 2 . . . . 3 C HB3 . 16210 1 22 . 1 1 3 3 CYS C C 13 173.772 0.15 . 1 . . . . 3 C C . 16210 1 23 . 1 1 3 3 CYS CA C 13 56.558 0.15 . 1 . . . . 3 C CA . 16210 1 24 . 1 1 3 3 CYS CB C 13 32.206 0.15 . 1 . . . . 3 C CB . 16210 1 25 . 1 1 3 3 CYS N N 15 128.120 0.15 . 1 . . . . 3 C N . 16210 1 26 . 1 1 4 4 ALA H H 1 7.110 0.05 . 1 . . . . 4 A H . 16210 1 27 . 1 1 4 4 ALA HA H 1 4.234 0.05 . 1 . . . . 4 A HA . 16210 1 28 . 1 1 4 4 ALA HB1 H 1 0.800 0.05 . 1 . . . . 4 A QB . 16210 1 29 . 1 1 4 4 ALA HB2 H 1 0.800 0.05 . 1 . . . . 4 A QB . 16210 1 30 . 1 1 4 4 ALA HB3 H 1 0.800 0.05 . 1 . . . . 4 A QB . 16210 1 31 . 1 1 4 4 ALA C C 13 177.661 0.15 . 1 . . . . 4 A C . 16210 1 32 . 1 1 4 4 ALA CA C 13 52.987 0.15 . 1 . . . . 4 A CA . 16210 1 33 . 1 1 4 4 ALA CB C 13 19.004 0.15 . 1 . . . . 4 A CB . 16210 1 34 . 1 1 4 4 ALA N N 15 117.697 0.15 . 1 . . . . 4 A N . 16210 1 35 . 1 1 5 5 ALA H H 1 9.154 0.05 . 1 . . . . 5 A H . 16210 1 36 . 1 1 5 5 ALA HA H 1 4.565 0.05 . 1 . . . . 5 A HA . 16210 1 37 . 1 1 5 5 ALA HB1 H 1 1.558 0.05 . 1 . . . . 5 A QB . 16210 1 38 . 1 1 5 5 ALA HB2 H 1 1.558 0.05 . 1 . . . . 5 A QB . 16210 1 39 . 1 1 5 5 ALA HB3 H 1 1.558 0.05 . 1 . . . . 5 A QB . 16210 1 40 . 1 1 5 5 ALA C C 13 177.851 0.15 . 1 . . . . 5 A C . 16210 1 41 . 1 1 5 5 ALA CA C 13 53.029 0.15 . 1 . . . . 5 A CA . 16210 1 42 . 1 1 5 5 ALA CB C 13 19.533 0.15 . 1 . . . . 5 A CB . 16210 1 43 . 1 1 5 5 ALA N N 15 125.563 0.15 . 1 . . . . 5 A N . 16210 1 44 . 1 1 6 6 GLN H H 1 8.946 0.05 . 1 . . . . 6 Q H . 16210 1 45 . 1 1 6 6 GLN HA H 1 4.098 0.05 . 1 . . . . 6 Q HA . 16210 1 46 . 1 1 6 6 GLN HB2 H 1 2.080 0.05 . 2 . . . . 6 Q HB2 . 16210 1 47 . 1 1 6 6 GLN HB3 H 1 2.145 0.05 . 2 . . . . 6 Q HB3 . 16210 1 48 . 1 1 6 6 GLN HE21 H 1 7.666 0.05 . 2 . . . . 6 Q HE21 . 16210 1 49 . 1 1 6 6 GLN HE22 H 1 6.922 0.05 . 2 . . . . 6 Q HE22 . 16210 1 50 . 1 1 6 6 GLN HG2 H 1 2.475 0.05 . 2 . . . . 6 Q HG2 . 16210 1 51 . 1 1 6 6 GLN HG3 H 1 2.533 0.05 . 2 . . . . 6 Q HG3 . 16210 1 52 . 1 1 6 6 GLN C C 13 176.708 0.15 . 1 . . . . 6 Q C . 16210 1 53 . 1 1 6 6 GLN CA C 13 58.555 0.15 . 1 . . . . 6 Q CA . 16210 1 54 . 1 1 6 6 GLN CB C 13 28.397 0.15 . 1 . . . . 6 Q CB . 16210 1 55 . 1 1 6 6 GLN CG C 13 34.015 0.15 . 1 . . . . 6 Q CG . 16210 1 56 . 1 1 6 6 GLN N N 15 122.944 0.15 . 1 . . . . 6 Q N . 16210 1 57 . 1 1 6 6 GLN NE2 N 15 112.620 0.15 . 1 . . . . 6 Q NE2 . 16210 1 58 . 1 1 7 7 ASN H H 1 8.399 0.05 . 1 . . . . 7 N H . 16210 1 59 . 1 1 7 7 ASN HA H 1 4.848 0.05 . 1 . . . . 7 N HA . 16210 1 60 . 1 1 7 7 ASN HB2 H 1 2.784 0.05 . 2 . . . . 7 N HB2 . 16210 1 61 . 1 1 7 7 ASN HB3 H 1 2.829 0.05 . 2 . . . . 7 N HB3 . 16210 1 62 . 1 1 7 7 ASN HD21 H 1 7.638 0.05 . 2 . . . . 7 N HD21 . 16210 1 63 . 1 1 7 7 ASN HD22 H 1 6.925 0.05 . 2 . . . . 7 N HD22 . 16210 1 64 . 1 1 7 7 ASN C C 13 173.923 0.15 . 1 . . . . 7 N C . 16210 1 65 . 1 1 7 7 ASN CA C 13 51.808 0.15 . 1 . . . . 7 N CA . 16210 1 66 . 1 1 7 7 ASN CB C 13 37.850 0.15 . 1 . . . . 7 N CB . 16210 1 67 . 1 1 7 7 ASN N N 15 115.700 0.15 . 1 . . . . 7 N N . 16210 1 68 . 1 1 7 7 ASN ND2 N 15 112.496 0.15 . 1 . . . . 7 N ND2 . 16210 1 69 . 1 1 8 8 CYS H H 1 7.655 0.05 . 1 . . . . 8 C H . 16210 1 70 . 1 1 8 8 CYS HA H 1 4.947 0.05 . 1 . . . . 8 C HA . 16210 1 71 . 1 1 8 8 CYS HB2 H 1 2.906 0.05 . 2 . . . . 8 C HB2 . 16210 1 72 . 1 1 8 8 CYS HB3 H 1 3.406 0.05 . 2 . . . . 8 C HB3 . 16210 1 73 . 1 1 8 8 CYS C C 13 177.267 0.15 . 1 . . . . 8 C C . 16210 1 74 . 1 1 8 8 CYS CA C 13 59.479 0.15 . 1 . . . . 8 C CA . 16210 1 75 . 1 1 8 8 CYS CB C 13 29.085 0.15 . 1 . . . . 8 C CB . 16210 1 76 . 1 1 8 8 CYS N N 15 122.410 0.15 . 1 . . . . 8 C N . 16210 1 77 . 1 1 9 9 GLN H H 1 9.901 0.05 . 1 . . . . 9 Q H . 16210 1 78 . 1 1 9 9 GLN HA H 1 4.193 0.05 . 1 . . . . 9 Q HA . 16210 1 79 . 1 1 9 9 GLN HB2 H 1 1.830 0.05 . 2 . . . . 9 Q HB2 . 16210 1 80 . 1 1 9 9 GLN HB3 H 1 2.294 0.05 . 2 . . . . 9 Q HB3 . 16210 1 81 . 1 1 9 9 GLN HE21 H 1 6.635 0.05 . 2 . . . . 9 Q HE21 . 16210 1 82 . 1 1 9 9 GLN HE22 H 1 7.592 0.05 . 2 . . . . 9 Q HE22 . 16210 1 83 . 1 1 9 9 GLN HG2 H 1 2.511 0.05 . 2 . . . . 9 Q HG2 . 16210 1 84 . 1 1 9 9 GLN HG3 H 1 2.587 0.05 . 2 . . . . 9 Q HG3 . 16210 1 85 . 1 1 9 9 GLN C C 13 175.088 0.15 . 1 . . . . 9 Q C . 16210 1 86 . 1 1 9 9 GLN CA C 13 56.730 0.15 . 1 . . . . 9 Q CA . 16210 1 87 . 1 1 9 9 GLN CB C 13 28.833 0.15 . 1 . . . . 9 Q CB . 16210 1 88 . 1 1 9 9 GLN CG C 13 34.152 0.15 . 1 . . . . 9 Q CG . 16210 1 89 . 1 1 9 9 GLN N N 15 133.116 0.15 . 1 . . . . 9 Q N . 16210 1 90 . 1 1 9 9 GLN NE2 N 15 111.795 0.15 . 1 . . . . 9 Q NE2 . 16210 1 91 . 1 1 10 10 ARG H H 1 10.013 0.05 . 1 . . . . 10 R H . 16210 1 92 . 1 1 10 10 ARG HA H 1 4.138 0.05 . 1 . . . . 10 R HA . 16210 1 93 . 1 1 10 10 ARG HB2 H 1 1.691 0.05 . 2 . . . . 10 R HB2 . 16210 1 94 . 1 1 10 10 ARG HB3 H 1 1.929 0.05 . 2 . . . . 10 R HB3 . 16210 1 95 . 1 1 10 10 ARG HD2 H 1 3.179 0.05 . 2 . . . . 10 R HD2 . 16210 1 96 . 1 1 10 10 ARG HG2 H 1 1.655 0.05 . 2 . . . . 10 R HG2 . 16210 1 97 . 1 1 10 10 ARG HG3 H 1 1.621 0.05 . 2 . . . . 10 R HG3 . 16210 1 98 . 1 1 10 10 ARG CA C 13 55.426 0.15 . 1 . . . . 10 R CA . 16210 1 99 . 1 1 10 10 ARG CB C 13 28.647 0.15 . 1 . . . . 10 R CB . 16210 1 100 . 1 1 10 10 ARG CD C 13 44.015 0.15 . 1 . . . . 10 R CD . 16210 1 101 . 1 1 10 10 ARG CG C 13 28.032 0.15 . 1 . . . . 10 R CG . 16210 1 102 . 1 1 10 10 ARG N N 15 121.692 0.15 . 1 . . . . 10 R N . 16210 1 103 . 1 1 11 11 PRO HA H 1 4.178 0.05 . 1 . . . . 11 P HA . 16210 1 104 . 1 1 11 11 PRO HB2 H 1 1.574 0.05 . 2 . . . . 11 P HB2 . 16210 1 105 . 1 1 11 11 PRO HB3 H 1 1.962 0.05 . 2 . . . . 11 P HB3 . 16210 1 106 . 1 1 11 11 PRO HD2 H 1 2.774 0.05 . 2 . . . . 11 P HD2 . 16210 1 107 . 1 1 11 11 PRO HD3 H 1 2.895 0.05 . 2 . . . . 11 P HD3 . 16210 1 108 . 1 1 11 11 PRO HG2 H 1 0.997 0.05 . 2 . . . . 11 P HG2 . 16210 1 109 . 1 1 11 11 PRO HG3 H 1 0.956 0.05 . 2 . . . . 11 P HG3 . 16210 1 110 . 1 1 11 11 PRO C C 13 177.355 0.15 . 1 . . . . 11 P C . 16210 1 111 . 1 1 11 11 PRO CA C 13 63.005 0.15 . 1 . . . . 11 P CA . 16210 1 112 . 1 1 11 11 PRO CB C 13 31.662 0.15 . 1 . . . . 11 P CB . 16210 1 113 . 1 1 11 11 PRO CD C 13 51.275 0.15 . 1 . . . . 11 P CD . 16210 1 114 . 1 1 11 11 PRO CG C 13 26.892 0.15 . 1 . . . . 11 P CG . 16210 1 115 . 1 1 12 12 CYS H H 1 8.662 0.05 . 1 . . . . 12 C H . 16210 1 116 . 1 1 12 12 CYS HA H 1 4.629 0.05 . 1 . . . . 12 C HA . 16210 1 117 . 1 1 12 12 CYS HB2 H 1 2.787 0.05 . 2 . . . . 12 C HB2 . 16210 1 118 . 1 1 12 12 CYS HB3 H 1 2.870 0.05 . 2 . . . . 12 C HB3 . 16210 1 119 . 1 1 12 12 CYS C C 13 173.972 0.15 . 1 . . . . 12 C C . 16210 1 120 . 1 1 12 12 CYS CA C 13 58.103 0.15 . 1 . . . . 12 C CA . 16210 1 121 . 1 1 12 12 CYS CB C 13 27.951 0.15 . 1 . . . . 12 C CB . 16210 1 122 . 1 1 12 12 CYS N N 15 120.690 0.15 . 1 . . . . 12 C N . 16210 1 123 . 1 1 13 13 LYS H H 1 7.138 0.05 . 1 . . . . 13 K H . 16210 1 124 . 1 1 13 13 LYS HA H 1 4.406 0.05 . 1 . . . . 13 K HA . 16210 1 125 . 1 1 13 13 LYS HB2 H 1 1.654 0.05 . 2 . . . . 13 K HB2 . 16210 1 126 . 1 1 13 13 LYS HB3 H 1 1.962 0.05 . 2 . . . . 13 K HB3 . 16210 1 127 . 1 1 13 13 LYS HD2 H 1 1.716 0.05 . 2 . . . . 13 K HD2 . 16210 1 128 . 1 1 13 13 LYS HE2 H 1 3.037 0.05 . 2 . . . . 13 K HE2 . 16210 1 129 . 1 1 13 13 LYS HG2 H 1 1.397 0.05 . 2 . . . . 13 K HG2 . 16210 1 130 . 1 1 13 13 LYS HG3 H 1 1.451 0.05 . 2 . . . . 13 K HG3 . 16210 1 131 . 1 1 13 13 LYS C C 13 174.846 0.15 . 1 . . . . 13 K C . 16210 1 132 . 1 1 13 13 LYS CA C 13 55.401 0.15 . 1 . . . . 13 K CA . 16210 1 133 . 1 1 13 13 LYS CB C 13 34.650 0.15 . 1 . . . . 13 K CB . 16210 1 134 . 1 1 13 13 LYS CD C 13 29.129 0.15 . 1 . . . . 13 K CD . 16210 1 135 . 1 1 13 13 LYS CE C 13 42.169 0.15 . 1 . . . . 13 K CE . 16210 1 136 . 1 1 13 13 LYS CG C 13 24.877 0.15 . 1 . . . . 13 K CG . 16210 1 137 . 1 1 13 13 LYS N N 15 121.573 0.15 . 1 . . . . 13 K N . 16210 1 138 . 1 1 14 14 ASP H H 1 8.395 0.05 . 1 . . . . 14 D H . 16210 1 139 . 1 1 14 14 ASP HA H 1 4.301 0.05 . 1 . . . . 14 D HA . 16210 1 140 . 1 1 14 14 ASP HB2 H 1 2.659 0.05 . 2 . . . . 14 D HB2 . 16210 1 141 . 1 1 14 14 ASP HB3 H 1 2.767 0.05 . 2 . . . . 14 D HB3 . 16210 1 142 . 1 1 14 14 ASP C C 13 176.114 0.15 . 1 . . . . 14 D C . 16210 1 143 . 1 1 14 14 ASP CA C 13 57.107 0.15 . 1 . . . . 14 D CA . 16210 1 144 . 1 1 14 14 ASP CB C 13 40.801 0.15 . 1 . . . . 14 D CB . 16210 1 145 . 1 1 14 14 ASP N N 15 118.919 0.15 . 1 . . . . 14 D N . 16210 1 146 . 1 1 15 15 LYS H H 1 7.593 0.05 . 1 . . . . 15 K H . 16210 1 147 . 1 1 15 15 LYS HA H 1 4.818 0.05 . 1 . . . . 15 K HA . 16210 1 148 . 1 1 15 15 LYS HB2 H 1 1.528 0.05 . 2 . . . . 15 K HB2 . 16210 1 149 . 1 1 15 15 LYS HB3 H 1 1.680 0.05 . 2 . . . . 15 K HB3 . 16210 1 150 . 1 1 15 15 LYS HD2 H 1 1.563 0.05 . 2 . . . . 15 K HD2 . 16210 1 151 . 1 1 15 15 LYS HD3 H 1 1.653 0.05 . 2 . . . . 15 K HD3 . 16210 1 152 . 1 1 15 15 LYS HE2 H 1 2.941 0.05 . 2 . . . . 15 K HE2 . 16210 1 153 . 1 1 15 15 LYS HG2 H 1 1.265 0.05 . 2 . . . . 15 K HG2 . 16210 1 154 . 1 1 15 15 LYS HG3 H 1 1.348 0.05 . 2 . . . . 15 K HG3 . 16210 1 155 . 1 1 15 15 LYS C C 13 175.145 0.15 . 1 . . . . 15 K C . 16210 1 156 . 1 1 15 15 LYS CA C 13 55.491 0.15 . 1 . . . . 15 K CA . 16210 1 157 . 1 1 15 15 LYS CB C 13 34.485 0.15 . 1 . . . . 15 K CB . 16210 1 158 . 1 1 15 15 LYS CD C 13 29.227 0.15 . 1 . . . . 15 K CD . 16210 1 159 . 1 1 15 15 LYS CE C 13 42.144 0.15 . 1 . . . . 15 K CE . 16210 1 160 . 1 1 15 15 LYS CG C 13 24.816 0.15 . 1 . . . . 15 K CG . 16210 1 161 . 1 1 15 15 LYS N N 15 117.259 0.15 . 1 . . . . 15 K N . 16210 1 162 . 1 1 16 16 VAL H H 1 8.811 0.05 . 1 . . . . 16 V H . 16210 1 163 . 1 1 16 16 VAL HA H 1 4.083 0.05 . 1 . . . . 16 V HA . 16210 1 164 . 1 1 16 16 VAL HB H 1 1.994 0.05 . 1 . . . . 16 V HB . 16210 1 165 . 1 1 16 16 VAL HG11 H 1 0.664 0.05 . 2 . . . . 16 V QG1 . 16210 1 166 . 1 1 16 16 VAL HG12 H 1 0.664 0.05 . 2 . . . . 16 V QG1 . 16210 1 167 . 1 1 16 16 VAL HG13 H 1 0.664 0.05 . 2 . . . . 16 V QG1 . 16210 1 168 . 1 1 16 16 VAL HG21 H 1 0.413 0.05 . 2 . . . . 16 V QG2 . 16210 1 169 . 1 1 16 16 VAL HG22 H 1 0.413 0.05 . 2 . . . . 16 V QG2 . 16210 1 170 . 1 1 16 16 VAL HG23 H 1 0.413 0.05 . 2 . . . . 16 V QG2 . 16210 1 171 . 1 1 16 16 VAL C C 13 174.356 0.15 . 1 . . . . 16 V C . 16210 1 172 . 1 1 16 16 VAL CA C 13 61.679 0.15 . 1 . . . . 16 V CA . 16210 1 173 . 1 1 16 16 VAL CB C 13 34.315 0.15 . 1 . . . . 16 V CB . 16210 1 174 . 1 1 16 16 VAL CG1 C 13 21.802 0.15 . 2 . . . . 16 V CG1 . 16210 1 175 . 1 1 16 16 VAL CG2 C 13 22.213 0.15 . 2 . . . . 16 V CG2 . 16210 1 176 . 1 1 16 16 VAL N N 15 123.375 0.15 . 1 . . . . 16 V N . 16210 1 177 . 1 1 17 17 ASP H H 1 7.938 0.05 . 1 . . . . 17 D H . 16210 1 178 . 1 1 17 17 ASP HA H 1 5.639 0.05 . 1 . . . . 17 D HA . 16210 1 179 . 1 1 17 17 ASP HB2 H 1 2.414 0.05 . 2 . . . . 17 D HB2 . 16210 1 180 . 1 1 17 17 ASP HB3 H 1 2.842 0.05 . 2 . . . . 17 D HB3 . 16210 1 181 . 1 1 17 17 ASP C C 13 177.550 0.15 . 1 . . . . 17 D C . 16210 1 182 . 1 1 17 17 ASP CA C 13 54.991 0.15 . 1 . . . . 17 D CA . 16210 1 183 . 1 1 17 17 ASP CB C 13 43.020 0.15 . 1 . . . . 17 D CB . 16210 1 184 . 1 1 17 17 ASP N N 15 124.698 0.15 . 1 . . . . 17 D N . 16210 1 185 . 1 1 18 18 TRP H H 1 9.636 0.05 . 1 . . . . 18 W H . 16210 1 186 . 1 1 18 18 TRP HA H 1 5.793 0.05 . 1 . . . . 18 W HA . 16210 1 187 . 1 1 18 18 TRP HB2 H 1 3.766 0.05 . 2 . . . . 18 W HB2 . 16210 1 188 . 1 1 18 18 TRP HB3 H 1 3.015 0.05 . 2 . . . . 18 W HB3 . 16210 1 189 . 1 1 18 18 TRP HD1 H 1 7.444 0.05 . 1 . . . . 18 W HD1 . 16210 1 190 . 1 1 18 18 TRP HE1 H 1 10.879 0.05 . 1 . . . . 18 W HE1 . 16210 1 191 . 1 1 18 18 TRP HE3 H 1 7.302 0.05 . 1 . . . . 18 W HE3 . 16210 1 192 . 1 1 18 18 TRP HH2 H 1 6.846 0.05 . 1 . . . . 18 W HH2 . 16210 1 193 . 1 1 18 18 TRP HZ2 H 1 7.442 0.05 . 1 . . . . 18 W HZ2 . 16210 1 194 . 1 1 18 18 TRP HZ3 H 1 6.527 0.05 . 1 . . . . 18 W HZ3 . 16210 1 195 . 1 1 18 18 TRP C C 13 176.051 0.15 . 1 . . . . 18 W C . 16210 1 196 . 1 1 18 18 TRP CA C 13 56.881 0.15 . 1 . . . . 18 W CA . 16210 1 197 . 1 1 18 18 TRP CB C 13 34.097 0.15 . 1 . . . . 18 W CB . 16210 1 198 . 1 1 18 18 TRP CD1 C 13 128.127 0.15 . 1 . . . . 18 W CD1 . 16210 1 199 . 1 1 18 18 TRP CE3 C 13 119.926 0.15 . 1 . . . . 18 W CE3 . 16210 1 200 . 1 1 18 18 TRP CH2 C 13 124.852 0.15 . 1 . . . . 18 W CH2 . 16210 1 201 . 1 1 18 18 TRP CZ2 C 13 114.393 0.15 . 1 . . . . 18 W CZ2 . 16210 1 202 . 1 1 18 18 TRP CZ3 C 13 122.249 0.15 . 1 . . . . 18 W CZ3 . 16210 1 203 . 1 1 18 18 TRP N N 15 123.330 0.15 . 1 . . . . 18 W N . 16210 1 204 . 1 1 18 18 TRP NE1 N 15 135.184 0.15 . 1 . . . . 18 W NE1 . 16210 1 205 . 1 1 19 19 VAL H H 1 10.592 0.05 . 1 . . . . 19 V H . 16210 1 206 . 1 1 19 19 VAL HA H 1 5.409 0.05 . 1 . . . . 19 V HA . 16210 1 207 . 1 1 19 19 VAL HB H 1 1.753 0.05 . 1 . . . . 19 V HB . 16210 1 208 . 1 1 19 19 VAL HG11 H 1 0.938 0.05 . 2 . . . . 19 V QG1 . 16210 1 209 . 1 1 19 19 VAL HG12 H 1 0.938 0.05 . 2 . . . . 19 V QG1 . 16210 1 210 . 1 1 19 19 VAL HG13 H 1 0.938 0.05 . 2 . . . . 19 V QG1 . 16210 1 211 . 1 1 19 19 VAL HG21 H 1 0.368 0.05 . 2 . . . . 19 V QG2 . 16210 1 212 . 1 1 19 19 VAL HG22 H 1 0.368 0.05 . 2 . . . . 19 V QG2 . 16210 1 213 . 1 1 19 19 VAL HG23 H 1 0.368 0.05 . 2 . . . . 19 V QG2 . 16210 1 214 . 1 1 19 19 VAL C C 13 170.168 0.15 . 1 . . . . 19 V C . 16210 1 215 . 1 1 19 19 VAL CA C 13 60.297 0.15 . 1 . . . . 19 V CA . 16210 1 216 . 1 1 19 19 VAL CB C 13 36.269 0.15 . 1 . . . . 19 V CB . 16210 1 217 . 1 1 19 19 VAL CG1 C 13 23.104 0.15 . 2 . . . . 19 V CG1 . 16210 1 218 . 1 1 19 19 VAL CG2 C 13 18.503 0.15 . 2 . . . . 19 V CG2 . 16210 1 219 . 1 1 19 19 VAL N N 15 122.558 0.15 . 1 . . . . 19 V N . 16210 1 220 . 1 1 20 20 GLN H H 1 8.359 0.05 . 1 . . . . 20 Q H . 16210 1 221 . 1 1 20 20 GLN HA H 1 4.728 0.05 . 1 . . . . 20 Q HA . 16210 1 222 . 1 1 20 20 GLN HB2 H 1 1.182 0.05 . 2 . . . . 20 Q HB2 . 16210 1 223 . 1 1 20 20 GLN HB3 H 1 -0.992 0.05 . 2 . . . . 20 Q HB3 . 16210 1 224 . 1 1 20 20 GLN HE21 H 1 5.969 0.05 . 2 . . . . 20 Q HE21 . 16210 1 225 . 1 1 20 20 GLN HE22 H 1 6.871 0.05 . 2 . . . . 20 Q HE22 . 16210 1 226 . 1 1 20 20 GLN HG2 H 1 1.732 0.05 . 2 . . . . 20 Q HG2 . 16210 1 227 . 1 1 20 20 GLN HG3 H 1 0.500 0.05 . 2 . . . . 20 Q HG3 . 16210 1 228 . 1 1 20 20 GLN C C 13 176.280 0.15 . 1 . . . . 20 Q C . 16210 1 229 . 1 1 20 20 GLN CA C 13 53.251 0.15 . 1 . . . . 20 Q CA . 16210 1 230 . 1 1 20 20 GLN CB C 13 28.640 0.15 . 1 . . . . 20 Q CB . 16210 1 231 . 1 1 20 20 GLN CG C 13 32.150 0.15 . 1 . . . . 20 Q CG . 16210 1 232 . 1 1 20 20 GLN N N 15 132.425 0.15 . 1 . . . . 20 Q N . 16210 1 233 . 1 1 20 20 GLN NE2 N 15 104.074 0.15 . 1 . . . . 20 Q NE2 . 16210 1 234 . 1 1 21 21 CYS H H 1 8.618 0.05 . 1 . . . . 21 C H . 16210 1 235 . 1 1 21 21 CYS HA H 1 4.601 0.05 . 1 . . . . 21 C HA . 16210 1 236 . 1 1 21 21 CYS HB2 H 1 3.437 0.05 . 2 . . . . 21 C HB2 . 16210 1 237 . 1 1 21 21 CYS HB3 H 1 3.136 0.05 . 2 . . . . 21 C HB3 . 16210 1 238 . 1 1 21 21 CYS C C 13 177.580 0.15 . 1 . . . . 21 C C . 16210 1 239 . 1 1 21 21 CYS CA C 13 61.339 0.15 . 1 . . . . 21 C CA . 16210 1 240 . 1 1 21 21 CYS CB C 13 32.597 0.15 . 1 . . . . 21 C CB . 16210 1 241 . 1 1 21 21 CYS N N 15 128.017 0.15 . 1 . . . . 21 C N . 16210 1 242 . 1 1 22 22 ASP H H 1 10.211 0.05 . 1 . . . . 22 D H . 16210 1 243 . 1 1 22 22 ASP HA H 1 4.926 0.05 . 1 . . . . 22 D HA . 16210 1 244 . 1 1 22 22 ASP HB2 H 1 2.340 0.05 . 2 . . . . 22 D HB2 . 16210 1 245 . 1 1 22 22 ASP HB3 H 1 2.902 0.05 . 2 . . . . 22 D HB3 . 16210 1 246 . 1 1 22 22 ASP C C 13 177.366 0.15 . 1 . . . . 22 D C . 16210 1 247 . 1 1 22 22 ASP CA C 13 56.782 0.15 . 1 . . . . 22 D CA . 16210 1 248 . 1 1 22 22 ASP CB C 13 43.715 0.15 . 1 . . . . 22 D CB . 16210 1 249 . 1 1 22 22 ASP N N 15 128.881 0.15 . 1 . . . . 22 D N . 16210 1 250 . 1 1 23 23 GLY H H 1 11.136 0.05 . 1 . . . . 23 G H . 16210 1 251 . 1 1 23 23 GLY HA2 H 1 3.556 0.05 . 2 . . . . 23 G HA2 . 16210 1 252 . 1 1 23 23 GLY HA3 H 1 4.026 0.05 . 2 . . . . 23 G HA3 . 16210 1 253 . 1 1 23 23 GLY C C 13 173.584 0.15 . 1 . . . . 23 G C . 16210 1 254 . 1 1 23 23 GLY CA C 13 45.651 0.15 . 1 . . . . 23 G CA . 16210 1 255 . 1 1 23 23 GLY N N 15 117.638 0.15 . 1 . . . . 23 G N . 16210 1 256 . 1 1 24 24 GLY H H 1 8.906 0.05 . 1 . . . . 24 G H . 16210 1 257 . 1 1 24 24 GLY HA2 H 1 3.451 0.05 . 2 . . . . 24 G HA2 . 16210 1 258 . 1 1 24 24 GLY HA3 H 1 4.722 0.05 . 2 . . . . 24 G HA3 . 16210 1 259 . 1 1 24 24 GLY C C 13 175.467 0.15 . 1 . . . . 24 G C . 16210 1 260 . 1 1 24 24 GLY CA C 13 45.165 0.15 . 1 . . . . 24 G CA . 16210 1 261 . 1 1 24 24 GLY N N 15 109.634 0.15 . 1 . . . . 24 G N . 16210 1 262 . 1 1 25 25 CYS H H 1 7.599 0.05 . 1 . . . . 25 C H . 16210 1 263 . 1 1 25 25 CYS HA H 1 4.450 0.05 . 1 . . . . 25 C HA . 16210 1 264 . 1 1 25 25 CYS HB2 H 1 3.217 0.05 . 2 . . . . 25 C HB2 . 16210 1 265 . 1 1 25 25 CYS HB3 H 1 2.681 0.05 . 2 . . . . 25 C HB3 . 16210 1 266 . 1 1 25 25 CYS C C 13 175.747 0.15 . 1 . . . . 25 C C . 16210 1 267 . 1 1 25 25 CYS CA C 13 60.192 0.15 . 1 . . . . 25 C CA . 16210 1 268 . 1 1 25 25 CYS CB C 13 30.266 0.15 . 1 . . . . 25 C CB . 16210 1 269 . 1 1 25 25 CYS N N 15 119.707 0.15 . 1 . . . . 25 C N . 16210 1 270 . 1 1 26 26 ASP H H 1 8.156 0.05 . 1 . . . . 26 D H . 16210 1 271 . 1 1 26 26 ASP HA H 1 4.364 0.05 . 1 . . . . 26 D HA . 16210 1 272 . 1 1 26 26 ASP HB2 H 1 2.982 0.05 . 2 . . . . 26 D HB2 . 16210 1 273 . 1 1 26 26 ASP HB3 H 1 2.701 0.05 . 2 . . . . 26 D HB3 . 16210 1 274 . 1 1 26 26 ASP C C 13 175.426 0.15 . 1 . . . . 26 D C . 16210 1 275 . 1 1 26 26 ASP CA C 13 56.106 0.15 . 1 . . . . 26 D CA . 16210 1 276 . 1 1 26 26 ASP CB C 13 40.889 0.15 . 1 . . . . 26 D CB . 16210 1 277 . 1 1 26 26 ASP N N 15 118.432 0.15 . 1 . . . . 26 D N . 16210 1 278 . 1 1 27 27 GLU H H 1 9.181 0.05 . 1 . . . . 27 E H . 16210 1 279 . 1 1 27 27 GLU HA H 1 4.379 0.05 . 1 . . . . 27 E HA . 16210 1 280 . 1 1 27 27 GLU HB2 H 1 1.569 0.05 . 2 . . . . 27 E HB2 . 16210 1 281 . 1 1 27 27 GLU HB3 H 1 2.374 0.05 . 2 . . . . 27 E HB3 . 16210 1 282 . 1 1 27 27 GLU HG2 H 1 2.177 0.05 . 2 . . . . 27 E HG2 . 16210 1 283 . 1 1 27 27 GLU HG3 H 1 2.414 0.05 . 2 . . . . 27 E HG3 . 16210 1 284 . 1 1 27 27 GLU C C 13 175.329 0.15 . 1 . . . . 27 E C . 16210 1 285 . 1 1 27 27 GLU CA C 13 58.179 0.15 . 1 . . . . 27 E CA . 16210 1 286 . 1 1 27 27 GLU CB C 13 30.604 0.15 . 1 . . . . 27 E CB . 16210 1 287 . 1 1 27 27 GLU CG C 13 36.989 0.15 . 1 . . . . 27 E CG . 16210 1 288 . 1 1 27 27 GLU N N 15 122.798 0.15 . 1 . . . . 27 E N . 16210 1 289 . 1 1 28 28 TRP H H 1 8.472 0.05 . 1 . . . . 28 W H . 16210 1 290 . 1 1 28 28 TRP HA H 1 4.934 0.05 . 1 . . . . 28 W HA . 16210 1 291 . 1 1 28 28 TRP HB2 H 1 2.969 0.05 . 2 . . . . 28 W HB2 . 16210 1 292 . 1 1 28 28 TRP HB3 H 1 3.186 0.05 . 2 . . . . 28 W HB3 . 16210 1 293 . 1 1 28 28 TRP HD1 H 1 7.242 0.05 . 1 . . . . 28 W HD1 . 16210 1 294 . 1 1 28 28 TRP HE1 H 1 10.197 0.05 . 1 . . . . 28 W HE1 . 16210 1 295 . 1 1 28 28 TRP HE3 H 1 7.450 0.05 . 1 . . . . 28 W HE3 . 16210 1 296 . 1 1 28 28 TRP HH2 H 1 6.670 0.05 . 1 . . . . 28 W HH2 . 16210 1 297 . 1 1 28 28 TRP HZ2 H 1 7.266 0.05 . 1 . . . . 28 W HZ2 . 16210 1 298 . 1 1 28 28 TRP HZ3 H 1 6.690 0.05 . 1 . . . . 28 W HZ3 . 16210 1 299 . 1 1 28 28 TRP C C 13 175.838 0.15 . 1 . . . . 28 W C . 16210 1 300 . 1 1 28 28 TRP CA C 13 57.313 0.15 . 1 . . . . 28 W CA . 16210 1 301 . 1 1 28 28 TRP CB C 13 31.956 0.15 . 1 . . . . 28 W CB . 16210 1 302 . 1 1 28 28 TRP CD1 C 13 127.659 0.15 . 1 . . . . 28 W CD1 . 16210 1 303 . 1 1 28 28 TRP CE3 C 13 118.748 0.15 . 1 . . . . 28 W CE3 . 16210 1 304 . 1 1 28 28 TRP CH2 C 13 123.446 0.15 . 1 . . . . 28 W CH2 . 16210 1 305 . 1 1 28 28 TRP CZ2 C 13 116.821 0.15 . 1 . . . . 28 W CZ2 . 16210 1 306 . 1 1 28 28 TRP CZ3 C 13 122.719 0.15 . 1 . . . . 28 W CZ3 . 16210 1 307 . 1 1 28 28 TRP N N 15 117.567 0.15 . 1 . . . . 28 W N . 16210 1 308 . 1 1 28 28 TRP NE1 N 15 131.536 0.15 . 1 . . . . 28 W NE1 . 16210 1 309 . 1 1 29 29 PHE H H 1 9.792 0.05 . 1 . . . . 29 F H . 16210 1 310 . 1 1 29 29 PHE HA H 1 4.865 0.05 . 1 . . . . 29 F HA . 16210 1 311 . 1 1 29 29 PHE HB2 H 1 2.773 0.05 . 2 . . . . 29 F HB2 . 16210 1 312 . 1 1 29 29 PHE HB3 H 1 3.023 0.05 . 2 . . . . 29 F HB3 . 16210 1 313 . 1 1 29 29 PHE HD2 H 1 7.277 0.05 . 4 . . . . 29 F HD2 . 16210 1 314 . 1 1 29 29 PHE HE1 H 1 7.619 0.05 . 4 . . . . 29 F HE1 . 16210 1 315 . 1 1 29 29 PHE HZ H 1 7.190 0.05 . 4 . . . . 29 F HZ . 16210 1 316 . 1 1 29 29 PHE C C 13 176.573 0.15 . 1 . . . . 29 F C . 16210 1 317 . 1 1 29 29 PHE CA C 13 56.788 0.15 . 1 . . . . 29 F CA . 16210 1 318 . 1 1 29 29 PHE CB C 13 42.755 0.15 . 1 . . . . 29 F CB . 16210 1 319 . 1 1 29 29 PHE CD2 C 13 132.786 0.15 . 4 . . . . 29 F CD2 . 16210 1 320 . 1 1 29 29 PHE CE1 C 13 130.543 0.15 . 4 . . . . 29 F CE1 . 16210 1 321 . 1 1 29 29 PHE CZ C 13 131.485 0.15 . 4 . . . . 29 F CZ . 16210 1 322 . 1 1 29 29 PHE N N 15 120.754 0.15 . 1 . . . . 29 F N . 16210 1 323 . 1 1 30 30 HIS H H 1 9.889 0.05 . 1 . . . . 30 H H . 16210 1 324 . 1 1 30 30 HIS HA H 1 4.383 0.05 . 1 . . . . 30 H HA . 16210 1 325 . 1 1 30 30 HIS HB2 H 1 3.013 0.05 . 2 . . . . 30 H HB2 . 16210 1 326 . 1 1 30 30 HIS HB3 H 1 4.399 0.05 . 2 . . . . 30 H HB3 . 16210 1 327 . 1 1 30 30 HIS HE1 H 1 7.598 0.05 . 1 . . . . 30 H HE1 . 16210 1 328 . 1 1 30 30 HIS C C 13 177.229 0.15 . 1 . . . . 30 H C . 16210 1 329 . 1 1 30 30 HIS CA C 13 57.127 0.15 . 1 . . . . 30 H CA . 16210 1 330 . 1 1 30 30 HIS CB C 13 29.589 0.15 . 1 . . . . 30 H CB . 16210 1 331 . 1 1 30 30 HIS CE1 C 13 137.967 0.15 . 1 . . . . 30 H CE1 . 16210 1 332 . 1 1 30 30 HIS N N 15 124.925 0.15 . 1 . . . . 30 H N . 16210 1 333 . 1 1 31 31 GLN H H 1 8.636 0.05 . 1 . . . . 31 Q H . 16210 1 334 . 1 1 31 31 GLN HA H 1 3.563 0.05 . 1 . . . . 31 Q HA . 16210 1 335 . 1 1 31 31 GLN HB2 H 1 1.638 0.05 . 2 . . . . 31 Q HB2 . 16210 1 336 . 1 1 31 31 GLN HB3 H 1 2.505 0.05 . 2 . . . . 31 Q HB3 . 16210 1 337 . 1 1 31 31 GLN HE21 H 1 7.355 0.05 . 2 . . . . 31 Q HE21 . 16210 1 338 . 1 1 31 31 GLN HE22 H 1 6.435 0.05 . 2 . . . . 31 Q HE22 . 16210 1 339 . 1 1 31 31 GLN HG2 H 1 1.704 0.05 . 2 . . . . 31 Q HG2 . 16210 1 340 . 1 1 31 31 GLN HG3 H 1 1.855 0.05 . 2 . . . . 31 Q HG3 . 16210 1 341 . 1 1 31 31 GLN C C 13 178.836 0.15 . 1 . . . . 31 Q C . 16210 1 342 . 1 1 31 31 GLN CA C 13 60.702 0.15 . 1 . . . . 31 Q CA . 16210 1 343 . 1 1 31 31 GLN CB C 13 26.688 0.15 . 1 . . . . 31 Q CB . 16210 1 344 . 1 1 31 31 GLN CG C 13 35.552 0.15 . 1 . . . . 31 Q CG . 16210 1 345 . 1 1 31 31 GLN N N 15 124.356 0.15 . 1 . . . . 31 Q N . 16210 1 346 . 1 1 31 31 GLN NE2 N 15 106.419 0.15 . 1 . . . . 31 Q NE2 . 16210 1 347 . 1 1 32 32 VAL H H 1 8.975 0.05 . 1 . . . . 32 V H . 16210 1 348 . 1 1 32 32 VAL HA H 1 4.096 0.05 . 1 . . . . 32 V HA . 16210 1 349 . 1 1 32 32 VAL HB H 1 2.110 0.05 . 1 . . . . 32 V HB . 16210 1 350 . 1 1 32 32 VAL HG11 H 1 1.006 0.05 . 2 . . . . 32 V QG1 . 16210 1 351 . 1 1 32 32 VAL HG12 H 1 1.006 0.05 . 2 . . . . 32 V QG1 . 16210 1 352 . 1 1 32 32 VAL HG13 H 1 1.006 0.05 . 2 . . . . 32 V QG1 . 16210 1 353 . 1 1 32 32 VAL HG21 H 1 0.959 0.05 . 2 . . . . 32 V QG2 . 16210 1 354 . 1 1 32 32 VAL HG22 H 1 0.959 0.05 . 2 . . . . 32 V QG2 . 16210 1 355 . 1 1 32 32 VAL HG23 H 1 0.959 0.05 . 2 . . . . 32 V QG2 . 16210 1 356 . 1 1 32 32 VAL CA C 13 64.568 0.15 . 1 . . . . 32 V CA . 16210 1 357 . 1 1 32 32 VAL CB C 13 31.689 0.15 . 1 . . . . 32 V CB . 16210 1 358 . 1 1 32 32 VAL CG1 C 13 20.754 0.15 . 2 . . . . 32 V CG1 . 16210 1 359 . 1 1 32 32 VAL CG2 C 13 20.736 0.15 . 2 . . . . 32 V CG2 . 16210 1 360 . 1 1 32 32 VAL N N 15 114.507 0.15 . 1 . . . . 32 V N . 16210 1 361 . 1 1 33 33 CYS H H 1 6.770 0.05 . 1 . . . . 33 C H . 16210 1 362 . 1 1 33 33 CYS HA H 1 4.139 0.05 . 1 . . . . 33 C HA . 16210 1 363 . 1 1 33 33 CYS HB2 H 1 3.087 0.05 . 2 . . . . 33 C HB2 . 16210 1 364 . 1 1 33 33 CYS HB3 H 1 3.168 0.05 . 2 . . . . 33 C HB3 . 16210 1 365 . 1 1 33 33 CYS C C 13 177.175 0.15 . 1 . . . . 33 C C . 16210 1 366 . 1 1 33 33 CYS CA C 13 62.799 0.15 . 1 . . . . 33 C CA . 16210 1 367 . 1 1 33 33 CYS CB C 13 29.256 0.15 . 1 . . . . 33 C CB . 16210 1 368 . 1 1 33 33 CYS N N 15 120.275 0.15 . 1 . . . . 33 C N . 16210 1 369 . 1 1 34 34 VAL H H 1 7.144 0.05 . 1 . . . . 34 V H . 16210 1 370 . 1 1 34 34 VAL HA H 1 4.599 0.05 . 1 . . . . 34 V HA . 16210 1 371 . 1 1 34 34 VAL HB H 1 2.505 0.05 . 1 . . . . 34 V HB . 16210 1 372 . 1 1 34 34 VAL HG11 H 1 0.471 0.05 . 2 . . . . 34 V QG1 . 16210 1 373 . 1 1 34 34 VAL HG12 H 1 0.471 0.05 . 2 . . . . 34 V QG1 . 16210 1 374 . 1 1 34 34 VAL HG13 H 1 0.471 0.05 . 2 . . . . 34 V QG1 . 16210 1 375 . 1 1 34 34 VAL HG21 H 1 0.812 0.05 . 2 . . . . 34 V QG2 . 16210 1 376 . 1 1 34 34 VAL HG22 H 1 0.812 0.05 . 2 . . . . 34 V QG2 . 16210 1 377 . 1 1 34 34 VAL HG23 H 1 0.812 0.05 . 2 . . . . 34 V QG2 . 16210 1 378 . 1 1 34 34 VAL C C 13 176.099 0.15 . 1 . . . . 34 V C . 16210 1 379 . 1 1 34 34 VAL CA C 13 60.218 0.15 . 1 . . . . 34 V CA . 16210 1 380 . 1 1 34 34 VAL CB C 13 31.918 0.15 . 1 . . . . 34 V CB . 16210 1 381 . 1 1 34 34 VAL CG1 C 13 17.854 0.15 . 2 . . . . 34 V CG1 . 16210 1 382 . 1 1 34 34 VAL CG2 C 13 23.132 0.15 . 2 . . . . 34 V CG2 . 16210 1 383 . 1 1 34 34 VAL N N 15 106.458 0.15 . 1 . . . . 34 V N . 16210 1 384 . 1 1 35 35 GLY H H 1 7.519 0.05 . 1 . . . . 35 G H . 16210 1 385 . 1 1 35 35 GLY HA2 H 1 3.897 0.05 . 2 . . . . 35 G HA2 . 16210 1 386 . 1 1 35 35 GLY HA3 H 1 3.954 0.05 . 2 . . . . 35 G HA3 . 16210 1 387 . 1 1 35 35 GLY C C 13 174.669 0.15 . 1 . . . . 35 G C . 16210 1 388 . 1 1 35 35 GLY CA C 13 47.173 0.15 . 1 . . . . 35 G CA . 16210 1 389 . 1 1 35 35 GLY N N 15 110.261 0.15 . 1 . . . . 35 G N . 16210 1 390 . 1 1 36 36 VAL H H 1 7.556 0.05 . 1 . . . . 36 V H . 16210 1 391 . 1 1 36 36 VAL HA H 1 4.480 0.05 . 1 . . . . 36 V HA . 16210 1 392 . 1 1 36 36 VAL HB H 1 1.681 0.05 . 1 . . . . 36 V HB . 16210 1 393 . 1 1 36 36 VAL HG11 H 1 0.775 0.05 . 2 . . . . 36 V QG1 . 16210 1 394 . 1 1 36 36 VAL HG12 H 1 0.775 0.05 . 2 . . . . 36 V QG1 . 16210 1 395 . 1 1 36 36 VAL HG13 H 1 0.775 0.05 . 2 . . . . 36 V QG1 . 16210 1 396 . 1 1 36 36 VAL HG21 H 1 0.704 0.05 . 2 . . . . 36 V QG2 . 16210 1 397 . 1 1 36 36 VAL HG22 H 1 0.704 0.05 . 2 . . . . 36 V QG2 . 16210 1 398 . 1 1 36 36 VAL HG23 H 1 0.704 0.05 . 2 . . . . 36 V QG2 . 16210 1 399 . 1 1 36 36 VAL C C 13 174.103 0.15 . 1 . . . . 36 V C . 16210 1 400 . 1 1 36 36 VAL CA C 13 60.273 0.15 . 1 . . . . 36 V CA . 16210 1 401 . 1 1 36 36 VAL CB C 13 34.388 0.15 . 1 . . . . 36 V CB . 16210 1 402 . 1 1 36 36 VAL CG1 C 13 21.516 0.15 . 2 . . . . 36 V CG1 . 16210 1 403 . 1 1 36 36 VAL CG2 C 13 21.917 0.15 . 2 . . . . 36 V CG2 . 16210 1 404 . 1 1 36 36 VAL N N 15 117.579 0.15 . 1 . . . . 36 V N . 16210 1 405 . 1 1 37 37 SER H H 1 8.097 0.05 . 1 . . . . 37 S H . 16210 1 406 . 1 1 37 37 SER HA H 1 4.846 0.05 . 1 . . . . 37 S HA . 16210 1 407 . 1 1 37 37 SER HB2 H 1 4.302 0.05 . 2 . . . . 37 S HB2 . 16210 1 408 . 1 1 37 37 SER HB3 H 1 3.964 0.05 . 2 . . . . 37 S HB3 . 16210 1 409 . 1 1 37 37 SER CA C 13 55.675 0.15 . 1 . . . . 37 S CA . 16210 1 410 . 1 1 37 37 SER CB C 13 63.614 0.15 . 1 . . . . 37 S CB . 16210 1 411 . 1 1 37 37 SER N N 15 122.439 0.15 . 1 . . . . 37 S N . 16210 1 412 . 1 1 38 38 PRO HA H 1 4.467 0.05 . 1 . . . . 38 P HA . 16210 1 413 . 1 1 38 38 PRO HB2 H 1 1.908 0.05 . 2 . . . . 38 P HB2 . 16210 1 414 . 1 1 38 38 PRO HB3 H 1 2.452 0.05 . 2 . . . . 38 P HB3 . 16210 1 415 . 1 1 38 38 PRO HD2 H 1 3.879 0.05 . 2 . . . . 38 P HD2 . 16210 1 416 . 1 1 38 38 PRO HD3 H 1 3.982 0.05 . 2 . . . . 38 P HD3 . 16210 1 417 . 1 1 38 38 PRO HG2 H 1 2.136 0.05 . 2 . . . . 38 P HG2 . 16210 1 418 . 1 1 38 38 PRO C C 13 179.393 0.15 . 1 . . . . 38 P C . 16210 1 419 . 1 1 38 38 PRO CA C 13 65.685 0.15 . 1 . . . . 38 P CA . 16210 1 420 . 1 1 38 38 PRO CB C 13 32.027 0.15 . 1 . . . . 38 P CB . 16210 1 421 . 1 1 38 38 PRO CD C 13 50.526 0.15 . 1 . . . . 38 P CD . 16210 1 422 . 1 1 38 38 PRO CG C 13 27.924 0.15 . 1 . . . . 38 P CG . 16210 1 423 . 1 1 39 39 GLU H H 1 8.536 0.05 . 1 . . . . 39 E H . 16210 1 424 . 1 1 39 39 GLU HA H 1 4.080 0.05 . 1 . . . . 39 E HA . 16210 1 425 . 1 1 39 39 GLU HB2 H 1 2.019 0.05 . 2 . . . . 39 E HB2 . 16210 1 426 . 1 1 39 39 GLU HB3 H 1 1.964 0.05 . 2 . . . . 39 E HB3 . 16210 1 427 . 1 1 39 39 GLU HG2 H 1 2.274 0.05 . 2 . . . . 39 E HG2 . 16210 1 428 . 1 1 39 39 GLU HG3 H 1 2.359 0.05 . 2 . . . . 39 E HG3 . 16210 1 429 . 1 1 39 39 GLU C C 13 178.722 0.15 . 1 . . . . 39 E C . 16210 1 430 . 1 1 39 39 GLU CA C 13 59.711 0.15 . 1 . . . . 39 E CA . 16210 1 431 . 1 1 39 39 GLU CB C 13 28.947 0.15 . 1 . . . . 39 E CB . 16210 1 432 . 1 1 39 39 GLU CG C 13 36.836 0.15 . 1 . . . . 39 E CG . 16210 1 433 . 1 1 39 39 GLU N N 15 116.083 0.15 . 1 . . . . 39 E N . 16210 1 434 . 1 1 40 40 MET H H 1 7.578 0.05 . 1 . . . . 40 M H . 16210 1 435 . 1 1 40 40 MET HA H 1 4.224 0.05 . 1 . . . . 40 M HA . 16210 1 436 . 1 1 40 40 MET HB2 H 1 2.175 0.05 . 2 . . . . 40 M HB2 . 16210 1 437 . 1 1 40 40 MET HG2 H 1 2.573 0.05 . 2 . . . . 40 M HG2 . 16210 1 438 . 1 1 40 40 MET HG3 H 1 2.609 0.05 . 2 . . . . 40 M HG3 . 16210 1 439 . 1 1 40 40 MET C C 13 178.433 0.15 . 1 . . . . 40 M C . 16210 1 440 . 1 1 40 40 MET CA C 13 58.112 0.15 . 1 . . . . 40 M CA . 16210 1 441 . 1 1 40 40 MET CB C 13 33.685 0.15 . 1 . . . . 40 M CB . 16210 1 442 . 1 1 40 40 MET CG C 13 32.135 0.15 . 1 . . . . 40 M CG . 16210 1 443 . 1 1 40 40 MET N N 15 119.520 0.15 . 1 . . . . 40 M N . 16210 1 444 . 1 1 41 41 ALA H H 1 8.324 0.05 . 1 . . . . 41 A H . 16210 1 445 . 1 1 41 41 ALA HA H 1 3.975 0.05 . 1 . . . . 41 A HA . 16210 1 446 . 1 1 41 41 ALA HB1 H 1 1.258 0.05 . 1 . . . . 41 A QB . 16210 1 447 . 1 1 41 41 ALA HB2 H 1 1.258 0.05 . 1 . . . . 41 A QB . 16210 1 448 . 1 1 41 41 ALA HB3 H 1 1.258 0.05 . 1 . . . . 41 A QB . 16210 1 449 . 1 1 41 41 ALA C C 13 177.857 0.15 . 1 . . . . 41 A C . 16210 1 450 . 1 1 41 41 ALA CA C 13 54.797 0.15 . 1 . . . . 41 A CA . 16210 1 451 . 1 1 41 41 ALA CB C 13 18.982 0.15 . 1 . . . . 41 A CB . 16210 1 452 . 1 1 41 41 ALA N N 15 121.259 0.15 . 1 . . . . 41 A N . 16210 1 453 . 1 1 42 42 GLU H H 1 7.833 0.05 . 1 . . . . 42 E H . 16210 1 454 . 1 1 42 42 GLU HA H 1 4.273 0.05 . 1 . . . . 42 E HA . 16210 1 455 . 1 1 42 42 GLU HB2 H 1 2.032 0.05 . 2 . . . . 42 E HB2 . 16210 1 456 . 1 1 42 42 GLU HG2 H 1 2.426 0.05 . 2 . . . . 42 E HG2 . 16210 1 457 . 1 1 42 42 GLU HG3 H 1 2.378 0.05 . 2 . . . . 42 E HG3 . 16210 1 458 . 1 1 42 42 GLU C C 13 178.431 0.15 . 1 . . . . 42 E C . 16210 1 459 . 1 1 42 42 GLU CA C 13 58.268 0.15 . 1 . . . . 42 E CA . 16210 1 460 . 1 1 42 42 GLU CB C 13 30.338 0.15 . 1 . . . . 42 E CB . 16210 1 461 . 1 1 42 42 GLU CG C 13 36.440 0.15 . 1 . . . . 42 E CG . 16210 1 462 . 1 1 42 42 GLU N N 15 112.040 0.15 . 1 . . . . 42 E N . 16210 1 463 . 1 1 43 43 ASN H H 1 7.688 0.05 . 1 . . . . 43 N H . 16210 1 464 . 1 1 43 43 ASN HA H 1 4.764 0.05 . 1 . . . . 43 N HA . 16210 1 465 . 1 1 43 43 ASN HB2 H 1 2.858 0.05 . 2 . . . . 43 N HB2 . 16210 1 466 . 1 1 43 43 ASN HB3 H 1 2.851 0.05 . 2 . . . . 43 N HB3 . 16210 1 467 . 1 1 43 43 ASN HD21 H 1 7.092 0.05 . 2 . . . . 43 N HD21 . 16210 1 468 . 1 1 43 43 ASN HD22 H 1 7.800 0.05 . 2 . . . . 43 N HD22 . 16210 1 469 . 1 1 43 43 ASN C C 13 174.879 0.15 . 1 . . . . 43 N C . 16210 1 470 . 1 1 43 43 ASN CA C 13 54.854 0.15 . 1 . . . . 43 N CA . 16210 1 471 . 1 1 43 43 ASN CB C 13 41.148 0.15 . 1 . . . . 43 N CB . 16210 1 472 . 1 1 43 43 ASN N N 15 113.488 0.15 . 1 . . . . 43 N N . 16210 1 473 . 1 1 43 43 ASN ND2 N 15 114.412 0.15 . 1 . . . . 43 N ND2 . 16210 1 474 . 1 1 44 44 GLU H H 1 7.861 0.05 . 1 . . . . 44 E H . 16210 1 475 . 1 1 44 44 GLU HA H 1 4.777 0.05 . 1 . . . . 44 E HA . 16210 1 476 . 1 1 44 44 GLU HB2 H 1 2.179 0.05 . 2 . . . . 44 E HB2 . 16210 1 477 . 1 1 44 44 GLU HB3 H 1 2.001 0.05 . 2 . . . . 44 E HB3 . 16210 1 478 . 1 1 44 44 GLU HG2 H 1 2.289 0.05 . 2 . . . . 44 E HG2 . 16210 1 479 . 1 1 44 44 GLU HG3 H 1 2.317 0.05 . 2 . . . . 44 E HG3 . 16210 1 480 . 1 1 44 44 GLU C C 13 176.482 0.15 . 1 . . . . 44 E C . 16210 1 481 . 1 1 44 44 GLU CA C 13 54.576 0.15 . 1 . . . . 44 E CA . 16210 1 482 . 1 1 44 44 GLU CB C 13 32.781 0.15 . 1 . . . . 44 E CB . 16210 1 483 . 1 1 44 44 GLU CG C 13 35.963 0.15 . 1 . . . . 44 E CG . 16210 1 484 . 1 1 44 44 GLU N N 15 118.109 0.15 . 1 . . . . 44 E N . 16210 1 485 . 1 1 45 45 ASP H H 1 8.707 0.05 . 1 . . . . 45 D H . 16210 1 486 . 1 1 45 45 ASP HA H 1 4.755 0.05 . 1 . . . . 45 D HA . 16210 1 487 . 1 1 45 45 ASP HB2 H 1 2.474 0.05 . 2 . . . . 45 D HB2 . 16210 1 488 . 1 1 45 45 ASP C C 13 176.643 0.15 . 1 . . . . 45 D C . 16210 1 489 . 1 1 45 45 ASP CA C 13 54.764 0.15 . 1 . . . . 45 D CA . 16210 1 490 . 1 1 45 45 ASP CB C 13 40.807 0.15 . 1 . . . . 45 D CB . 16210 1 491 . 1 1 45 45 ASP N N 15 123.334 0.15 . 1 . . . . 45 D N . 16210 1 492 . 1 1 46 46 TYR H H 1 9.868 0.05 . 1 . . . . 46 Y H . 16210 1 493 . 1 1 46 46 TYR HA H 1 4.671 0.05 . 1 . . . . 46 Y HA . 16210 1 494 . 1 1 46 46 TYR HB2 H 1 2.800 0.05 . 2 . . . . 46 Y HB2 . 16210 1 495 . 1 1 46 46 TYR HB3 H 1 2.869 0.05 . 2 . . . . 46 Y HB3 . 16210 1 496 . 1 1 46 46 TYR HD1 H 1 6.727 0.05 . 4 . . . . 46 Y HD1 . 16210 1 497 . 1 1 46 46 TYR HE1 H 1 6.114 0.05 . 4 . . . . 46 Y HE1 . 16210 1 498 . 1 1 46 46 TYR C C 13 172.045 0.15 . 1 . . . . 46 Y C . 16210 1 499 . 1 1 46 46 TYR CA C 13 58.409 0.15 . 1 . . . . 46 Y CA . 16210 1 500 . 1 1 46 46 TYR CB C 13 40.085 0.15 . 1 . . . . 46 Y CB . 16210 1 501 . 1 1 46 46 TYR CD1 C 13 132.370 0.15 . 4 . . . . 46 Y CD1 . 16210 1 502 . 1 1 46 46 TYR CE1 C 13 117.372 0.15 . 4 . . . . 46 Y CE1 . 16210 1 503 . 1 1 46 46 TYR N N 15 124.561 0.15 . 1 . . . . 46 Y N . 16210 1 504 . 1 1 47 47 ILE H H 1 7.520 0.05 . 1 . . . . 47 I H . 16210 1 505 . 1 1 47 47 ILE HA H 1 4.344 0.05 . 1 . . . . 47 I HA . 16210 1 506 . 1 1 47 47 ILE HB H 1 1.574 0.05 . 1 . . . . 47 I HB . 16210 1 507 . 1 1 47 47 ILE HD11 H 1 0.643 0.05 . 1 . . . . 47 I QD1 . 16210 1 508 . 1 1 47 47 ILE HD12 H 1 0.643 0.05 . 1 . . . . 47 I QD1 . 16210 1 509 . 1 1 47 47 ILE HD13 H 1 0.643 0.05 . 1 . . . . 47 I QD1 . 16210 1 510 . 1 1 47 47 ILE HG12 H 1 0.993 0.05 . 2 . . . . 47 I HG12 . 16210 1 511 . 1 1 47 47 ILE HG13 H 1 1.252 0.05 . 2 . . . . 47 I HG13 . 16210 1 512 . 1 1 47 47 ILE HG21 H 1 0.691 0.05 . 1 . . . . 47 I QG2 . 16210 1 513 . 1 1 47 47 ILE HG22 H 1 0.691 0.05 . 1 . . . . 47 I QG2 . 16210 1 514 . 1 1 47 47 ILE HG23 H 1 0.691 0.05 . 1 . . . . 47 I QG2 . 16210 1 515 . 1 1 47 47 ILE C C 13 174.691 0.15 . 1 . . . . 47 I C . 16210 1 516 . 1 1 47 47 ILE CA C 13 58.279 0.15 . 1 . . . . 47 I CA . 16210 1 517 . 1 1 47 47 ILE CB C 13 37.652 0.15 . 1 . . . . 47 I CB . 16210 1 518 . 1 1 47 47 ILE CD1 C 13 11.260 0.15 . 1 . . . . 47 I CD1 . 16210 1 519 . 1 1 47 47 ILE CG1 C 13 26.771 0.15 . 1 . . . . 47 I CG1 . 16210 1 520 . 1 1 47 47 ILE CG2 C 13 17.728 0.15 . 1 . . . . 47 I CG2 . 16210 1 521 . 1 1 47 47 ILE N N 15 128.737 0.15 . 1 . . . . 47 I N . 16210 1 522 . 1 1 48 48 CYS H H 1 9.142 0.05 . 1 . . . . 48 C H . 16210 1 523 . 1 1 48 48 CYS HA H 1 4.126 0.05 . 1 . . . . 48 C HA . 16210 1 524 . 1 1 48 48 CYS HB2 H 1 2.536 0.05 . 2 . . . . 48 C HB2 . 16210 1 525 . 1 1 48 48 CYS HB3 H 1 3.097 0.05 . 2 . . . . 48 C HB3 . 16210 1 526 . 1 1 48 48 CYS C C 13 175.153 0.15 . 1 . . . . 48 C C . 16210 1 527 . 1 1 48 48 CYS CA C 13 58.302 0.15 . 1 . . . . 48 C CA . 16210 1 528 . 1 1 48 48 CYS CB C 13 32.494 0.15 . 1 . . . . 48 C CB . 16210 1 529 . 1 1 48 48 CYS N N 15 130.912 0.15 . 1 . . . . 48 C N . 16210 1 530 . 1 1 49 49 ILE H H 1 7.748 0.05 . 1 . . . . 49 I H . 16210 1 531 . 1 1 49 49 ILE HA H 1 3.956 0.05 . 1 . . . . 49 I HA . 16210 1 532 . 1 1 49 49 ILE HB H 1 1.885 0.05 . 1 . . . . 49 I HB . 16210 1 533 . 1 1 49 49 ILE HD11 H 1 0.940 0.05 . 1 . . . . 49 I QD1 . 16210 1 534 . 1 1 49 49 ILE HD12 H 1 0.940 0.05 . 1 . . . . 49 I QD1 . 16210 1 535 . 1 1 49 49 ILE HD13 H 1 0.940 0.05 . 1 . . . . 49 I QD1 . 16210 1 536 . 1 1 49 49 ILE HG12 H 1 1.464 0.05 . 2 . . . . 49 I HG12 . 16210 1 537 . 1 1 49 49 ILE HG13 H 1 1.274 0.05 . 2 . . . . 49 I HG13 . 16210 1 538 . 1 1 49 49 ILE HG21 H 1 0.983 0.05 . 1 . . . . 49 I QG2 . 16210 1 539 . 1 1 49 49 ILE HG22 H 1 0.983 0.05 . 1 . . . . 49 I QG2 . 16210 1 540 . 1 1 49 49 ILE HG23 H 1 0.983 0.05 . 1 . . . . 49 I QG2 . 16210 1 541 . 1 1 49 49 ILE C C 13 177.115 0.15 . 1 . . . . 49 I C . 16210 1 542 . 1 1 49 49 ILE CA C 13 63.096 0.15 . 1 . . . . 49 I CA . 16210 1 543 . 1 1 49 49 ILE CB C 13 38.630 0.15 . 1 . . . . 49 I CB . 16210 1 544 . 1 1 49 49 ILE CD1 C 13 14.168 0.15 . 1 . . . . 49 I CD1 . 16210 1 545 . 1 1 49 49 ILE CG1 C 13 27.718 0.15 . 1 . . . . 49 I CG1 . 16210 1 546 . 1 1 49 49 ILE CG2 C 13 17.591 0.15 . 1 . . . . 49 I CG2 . 16210 1 547 . 1 1 49 49 ILE N N 15 113.518 0.15 . 1 . . . . 49 I N . 16210 1 548 . 1 1 50 50 ASN H H 1 8.859 0.05 . 1 . . . . 50 N H . 16210 1 549 . 1 1 50 50 ASN HA H 1 4.709 0.05 . 1 . . . . 50 N HA . 16210 1 550 . 1 1 50 50 ASN HB2 H 1 2.855 0.05 . 2 . . . . 50 N HB2 . 16210 1 551 . 1 1 50 50 ASN HB3 H 1 3.033 0.05 . 2 . . . . 50 N HB3 . 16210 1 552 . 1 1 50 50 ASN HD21 H 1 7.155 0.05 . 2 . . . . 50 N HD21 . 16210 1 553 . 1 1 50 50 ASN HD22 H 1 8.291 0.05 . 2 . . . . 50 N HD22 . 16210 1 554 . 1 1 50 50 ASN C C 13 176.868 0.15 . 1 . . . . 50 N C . 16210 1 555 . 1 1 50 50 ASN CA C 13 55.433 0.15 . 1 . . . . 50 N CA . 16210 1 556 . 1 1 50 50 ASN CB C 13 39.690 0.15 . 1 . . . . 50 N CB . 16210 1 557 . 1 1 50 50 ASN N N 15 121.721 0.15 . 1 . . . . 50 N N . 16210 1 558 . 1 1 50 50 ASN ND2 N 15 116.360 0.15 . 1 . . . . 50 N ND2 . 16210 1 559 . 1 1 51 51 CYS H H 1 8.213 0.05 . 1 . . . . 51 C H . 16210 1 560 . 1 1 51 51 CYS HA H 1 4.113 0.05 . 1 . . . . 51 C HA . 16210 1 561 . 1 1 51 51 CYS HB2 H 1 2.697 0.05 . 2 . . . . 51 C HB2 . 16210 1 562 . 1 1 51 51 CYS HB3 H 1 2.974 0.05 . 2 . . . . 51 C HB3 . 16210 1 563 . 1 1 51 51 CYS C C 13 174.832 0.15 . 1 . . . . 51 C C . 16210 1 564 . 1 1 51 51 CYS CA C 13 62.048 0.15 . 1 . . . . 51 C CA . 16210 1 565 . 1 1 51 51 CYS CB C 13 31.516 0.15 . 1 . . . . 51 C CB . 16210 1 566 . 1 1 51 51 CYS N N 15 123.810 0.15 . 1 . . . . 51 C N . 16210 1 567 . 1 1 52 52 ALA H H 1 7.258 0.05 . 1 . . . . 52 A H . 16210 1 568 . 1 1 52 52 ALA HA H 1 3.798 0.05 . 1 . . . . 52 A HA . 16210 1 569 . 1 1 52 52 ALA HB1 H 1 1.231 0.05 . 1 . . . . 52 A QB . 16210 1 570 . 1 1 52 52 ALA HB2 H 1 1.231 0.05 . 1 . . . . 52 A QB . 16210 1 571 . 1 1 52 52 ALA HB3 H 1 1.231 0.05 . 1 . . . . 52 A QB . 16210 1 572 . 1 1 52 52 ALA CA C 13 54.913 0.15 . 1 . . . . 52 A CA . 16210 1 573 . 1 1 52 52 ALA CB C 13 19.355 0.15 . 1 . . . . 52 A CB . 16210 1 574 . 1 1 52 52 ALA N N 15 128.008 0.15 . 1 . . . . 52 A N . 16210 1 575 . 3 3 1 1 ALA HA H 1 4.632 0.05 . 1 . . . . 301 A HA . 16210 1 576 . 3 3 1 1 ALA HB1 H 1 1.889 0.05 . 1 . . . . 301 A QB . 16210 1 577 . 3 3 1 1 ALA HB2 H 1 1.889 0.05 . 1 . . . . 301 A QB . 16210 1 578 . 3 3 1 1 ALA HB3 H 1 1.889 0.05 . 1 . . . . 301 A QB . 16210 1 579 . 3 3 2 2 ARG H H 1 9.878 0.05 . 1 . . . . 302 R H . 16210 1 580 . 3 3 2 2 ARG HG2 H 1 1.595 0.05 . 2 . . . . 302 R HG2 . 16210 1 581 . 3 3 3 3 THR H H 1 8.231 0.05 . 1 . . . . 303 T H . 16210 1 582 . 3 3 3 3 THR HA H 1 5.501 0.05 . 1 . . . . 303 T HA . 16210 1 583 . 3 3 3 3 THR HB H 1 4.531 0.05 . 1 . . . . 303 T HB . 16210 1 584 . 3 3 3 3 THR HG21 H 1 1.244 0.05 . 1 . . . . 303 T QG2 . 16210 1 585 . 3 3 3 3 THR HG22 H 1 1.244 0.05 . 1 . . . . 303 T QG2 . 16210 1 586 . 3 3 3 3 THR HG23 H 1 1.244 0.05 . 1 . . . . 303 T QG2 . 16210 1 587 . 3 3 4 4 M3L H H 1 7.807 0.05 . 1 . . . . 304 K H . 16210 1 588 . 3 3 4 4 M3L HA H 1 4.755 0.05 . 1 . . . . 304 K HA . 16210 1 589 . 3 3 4 4 M3L HB2 H 1 0.524 0.05 . 4 . . . . 304 K HB2 . 16210 1 590 . 3 3 4 4 M3L HB3 H 1 0.947 0.05 . 4 . . . . 304 K HB3 . 16210 1 591 . 3 3 4 4 M3L HD2 H 1 0.106 0.05 . 4 . . . . 304 K HD2 . 16210 1 592 . 3 3 4 4 M3L HD3 H 1 0.699 0.05 . 4 . . . . 304 K HD3 . 16210 1 593 . 3 3 4 4 M3L HE2 H 1 1.598 0.05 . 4 . . . . 304 K HE2 . 16210 1 594 . 3 3 4 4 M3L HG2 H 1 0.292 0.05 . 4 . . . . 304 K HG2 . 16210 1 595 . 3 3 5 5 GLN H H 1 8.838 0.05 . 1 . . . . 305 Q H . 16210 1 596 . 3 3 5 5 GLN HA H 1 5.846 0.05 . 1 . . . . 305 Q HA . 16210 1 597 . 3 3 5 5 GLN HB2 H 1 1.985 0.05 . 2 . . . . 305 Q HB2 . 16210 1 598 . 3 3 5 5 GLN HE21 H 1 8.693 0.05 . 2 . . . . 305 Q HE21 . 16210 1 599 . 3 3 5 5 GLN HE22 H 1 6.850 0.05 . 2 . . . . 305 Q HE22 . 16210 1 600 . 3 3 5 5 GLN HG2 H 1 2.059 0.05 . 2 . . . . 305 Q HG2 . 16210 1 601 . 3 3 5 5 GLN HG3 H 1 2.405 0.05 . 2 . . . . 305 Q HG3 . 16210 1 602 . 3 3 6 6 THR H H 1 9.354 0.05 . 1 . . . . 306 T H . 16210 1 603 . 3 3 6 6 THR HA H 1 4.727 0.05 . 1 . . . . 306 T HA . 16210 1 604 . 3 3 6 6 THR HB H 1 4.463 0.05 . 1 . . . . 306 T HB . 16210 1 605 . 3 3 6 6 THR HG21 H 1 0.946 0.05 . 1 . . . . 306 T QG2 . 16210 1 606 . 3 3 6 6 THR HG22 H 1 0.946 0.05 . 1 . . . . 306 T QG2 . 16210 1 607 . 3 3 6 6 THR HG23 H 1 0.946 0.05 . 1 . . . . 306 T QG2 . 16210 1 608 . 3 3 7 7 ALA H H 1 8.532 0.05 . 1 . . . . 307 A H . 16210 1 609 . 3 3 7 7 ALA HA H 1 5.005 0.05 . 1 . . . . 307 A HA . 16210 1 610 . 3 3 7 7 ALA HB1 H 1 1.445 0.05 . 1 . . . . 307 A QB . 16210 1 611 . 3 3 7 7 ALA HB2 H 1 1.445 0.05 . 1 . . . . 307 A QB . 16210 1 612 . 3 3 7 7 ALA HB3 H 1 1.445 0.05 . 1 . . . . 307 A QB . 16210 1 613 . 3 3 8 8 ARG H H 1 8.229 0.05 . 1 . . . . 308 R H . 16210 1 614 . 3 3 8 8 ARG HA H 1 4.472 0.05 . 1 . . . . 308 R HA . 16210 1 615 . 3 3 8 8 ARG HB2 H 1 1.843 0.05 . 2 . . . . 308 R HB2 . 16210 1 616 . 3 3 8 8 ARG HB3 H 1 1.639 0.05 . 2 . . . . 308 R HB3 . 16210 1 617 . 3 3 8 8 ARG HD2 H 1 3.160 0.05 . 2 . . . . 308 R HD2 . 16210 1 618 . 3 3 8 8 ARG HG2 H 1 1.574 0.05 . 2 . . . . 308 R HG2 . 16210 1 619 . 3 3 9 9 LYS H H 1 7.983 0.05 . 1 . . . . 309 K H . 16210 1 620 . 3 3 9 9 LYS HA H 1 4.205 0.05 . 1 . . . . 309 K HA . 16210 1 621 . 3 3 9 9 LYS HB2 H 1 1.828 0.05 . 2 . . . . 309 K HB2 . 16210 1 622 . 3 3 9 9 LYS HD2 H 1 1.703 0.05 . 2 . . . . 309 K HD2 . 16210 1 623 . 3 3 9 9 LYS HE2 H 1 2.977 0.05 . 2 . . . . 309 K HE2 . 16210 1 624 . 3 3 9 9 LYS HG2 H 1 1.361 0.05 . 2 . . . . 309 K HG2 . 16210 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 313 16210 1 1 314 16210 1 1 315 16210 1 2 319 16210 1 2 320 16210 1 2 321 16210 1 3 496 16210 1 3 497 16210 1 4 501 16210 1 4 502 16210 1 5 589 16210 1 5 590 16210 1 5 591 16210 1 5 592 16210 1 5 593 16210 1 5 594 16210 1 stop_ save_