################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34313 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34313 1 2 '2D 1H-1H TOCSY' . . . 34313 1 3 '2D 1H-13C HSQC' . . . 34313 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.091 0.000 . 2 . . . . A 1 GLY HA2 . 34313 1 2 . 1 1 1 1 GLY HA3 H 1 4.150 0.000 . 2 . . . . A 1 GLY HA3 . 34313 1 3 . 1 1 2 2 PHE H H 1 9.286 0.000 . 1 . . . . A 2 PHE H . 34313 1 4 . 1 1 2 2 PHE HA H 1 4.292 0.000 . 1 . . . . A 2 PHE HA . 34313 1 5 . 1 1 2 2 PHE HB2 H 1 3.313 0.000 . 2 . . . . A 2 PHE HB2 . 34313 1 6 . 1 1 2 2 PHE HB3 H 1 2.770 0.000 . 2 . . . . A 2 PHE HB3 . 34313 1 7 . 1 1 2 2 PHE HD1 H 1 6.555 0.000 . 1 . . . . A 2 PHE HD1 . 34313 1 8 . 1 1 2 2 PHE HD2 H 1 6.555 0.000 . 1 . . . . A 2 PHE HD2 . 34313 1 9 . 1 1 2 2 PHE HE1 H 1 6.711 0.000 . 1 . . . . A 2 PHE HE1 . 34313 1 10 . 1 1 2 2 PHE HE2 H 1 6.711 0.000 . 1 . . . . A 2 PHE HE2 . 34313 1 11 . 1 1 2 2 PHE HZ H 1 6.944 0.000 . 1 . . . . A 2 PHE HZ . 34313 1 12 . 1 1 2 2 PHE CB C 13 37.133 0.000 . 1 . . . . A 2 PHE CB . 34313 1 13 . 1 1 2 2 PHE CD2 C 13 129.239 0.000 . 1 . . . . A 2 PHE CD2 . 34313 1 14 . 1 1 2 2 PHE CE1 C 13 128.301 0.000 . 1 . . . . A 2 PHE CE1 . 34313 1 15 . 1 1 3 3 TRP H H 1 8.493 0.000 . 1 . . . . A 3 TRP H . 34313 1 16 . 1 1 3 3 TRP HA H 1 4.482 0.000 . 1 . . . . A 3 TRP HA . 34313 1 17 . 1 1 3 3 TRP HB2 H 1 3.501 0.000 . 2 . . . . A 3 TRP HB2 . 34313 1 18 . 1 1 3 3 TRP HB3 H 1 3.455 0.000 . 2 . . . . A 3 TRP HB3 . 34313 1 19 . 1 1 3 3 TRP HD1 H 1 7.419 0.000 . 1 . . . . A 3 TRP HD1 . 34313 1 20 . 1 1 3 3 TRP HE1 H 1 10.523 0.000 . 1 . . . . A 3 TRP HE1 . 34313 1 21 . 1 1 3 3 TRP HE3 H 1 7.634 0.000 . 1 . . . . A 3 TRP HE3 . 34313 1 22 . 1 1 3 3 TRP HZ2 H 1 7.593 0.000 . 1 . . . . A 3 TRP HZ2 . 34313 1 23 . 1 1 3 3 TRP HZ3 H 1 7.055 0.000 . 1 . . . . A 3 TRP HZ3 . 34313 1 24 . 1 1 3 3 TRP HH2 H 1 7.266 0.000 . 1 . . . . A 3 TRP HH2 . 34313 1 25 . 1 1 4 4 SER H H 1 8.422 0.000 . 1 . . . . A 4 SER H . 34313 1 26 . 1 1 4 4 SER HA H 1 4.453 0.000 . 1 . . . . A 4 SER HA . 34313 1 27 . 1 1 4 4 SER HB2 H 1 4.136 0.000 . 2 . . . . A 4 SER HB2 . 34313 1 28 . 1 1 4 4 SER HB3 H 1 4.192 0.000 . 2 . . . . A 4 SER HB3 . 34313 1 29 . 1 1 4 4 SER CB C 13 59.915 0.000 . 1 . . . . A 4 SER CB . 34313 1 30 . 1 1 5 5 SER H H 1 8.057 0.000 . 1 . . . . A 5 SER H . 34313 1 31 . 1 1 5 5 SER HA H 1 4.480 0.000 . 1 . . . . A 5 SER HA . 34313 1 32 . 1 1 5 5 SER HB2 H 1 4.120 0.000 . 2 . . . . A 5 SER HB2 . 34313 1 33 . 1 1 5 5 SER HB3 H 1 3.957 0.000 . 2 . . . . A 5 SER HB3 . 34313 1 34 . 1 1 6 6 VAL H H 1 8.040 0.000 . 1 . . . . A 6 VAL H . 34313 1 35 . 1 1 6 6 VAL HA H 1 3.729 0.000 . 1 . . . . A 6 VAL HA . 34313 1 36 . 1 1 6 6 VAL HB H 1 2.275 0.000 . 1 . . . . A 6 VAL HB . 34313 1 37 . 1 1 6 6 VAL HG11 H 1 1.043 0.000 . 2 . . . . A 6 VAL HG11 . 34313 1 38 . 1 1 6 6 VAL HG12 H 1 1.043 0.000 . 2 . . . . A 6 VAL HG12 . 34313 1 39 . 1 1 6 6 VAL HG13 H 1 1.043 0.000 . 2 . . . . A 6 VAL HG13 . 34313 1 40 . 1 1 6 6 VAL HG21 H 1 0.634 0.000 . 2 . . . . A 6 VAL HG21 . 34313 1 41 . 1 1 6 6 VAL HG22 H 1 0.634 0.000 . 2 . . . . A 6 VAL HG22 . 34313 1 42 . 1 1 6 6 VAL HG23 H 1 0.634 0.000 . 2 . . . . A 6 VAL HG23 . 34313 1 43 . 1 1 6 6 VAL CA C 13 65.385 0.000 . 1 . . . . A 6 VAL CA . 34313 1 44 . 1 1 6 6 VAL CB C 13 28.687 0.000 . 1 . . . . A 6 VAL CB . 34313 1 45 . 1 1 6 6 VAL CG1 C 13 18.668 0.000 . 1 . . . . A 6 VAL CG1 . 34313 1 46 . 1 1 6 6 VAL CG2 C 13 19.919 0.000 . 1 . . . . A 6 VAL CG2 . 34313 1 47 . 1 1 7 7 TRP H H 1 8.429 0.000 . 1 . . . . A 7 TRP H . 34313 1 48 . 1 1 7 7 TRP HA H 1 4.201 0.000 . 1 . . . . A 7 TRP HA . 34313 1 49 . 1 1 7 7 TRP HB2 H 1 3.535 0.000 . 2 . . . . A 7 TRP HB2 . 34313 1 50 . 1 1 7 7 TRP HB3 H 1 3.463 0.000 . 2 . . . . A 7 TRP HB3 . 34313 1 51 . 1 1 7 7 TRP HD1 H 1 7.696 0.000 . 1 . . . . A 7 TRP HD1 . 34313 1 52 . 1 1 7 7 TRP HE1 H 1 10.732 0.000 . 1 . . . . A 7 TRP HE1 . 34313 1 53 . 1 1 7 7 TRP HE3 H 1 7.632 0.000 . 1 . . . . A 7 TRP HE3 . 34313 1 54 . 1 1 7 7 TRP HZ2 H 1 7.594 0.000 . 1 . . . . A 7 TRP HZ2 . 34313 1 55 . 1 1 7 7 TRP HZ3 H 1 7.170 0.000 . 1 . . . . A 7 TRP HZ3 . 34313 1 56 . 1 1 7 7 TRP HH2 H 1 7.035 0.000 . 1 . . . . A 7 TRP HH2 . 34313 1 57 . 1 1 8 8 ASP H H 1 8.496 0.000 . 1 . . . . A 8 ASP H . 34313 1 58 . 1 1 8 8 ASP HA H 1 4.346 0.000 . 1 . . . . A 8 ASP HA . 34313 1 59 . 1 1 8 8 ASP HB2 H 1 3.101 0.000 . 2 . . . . A 8 ASP HB2 . 34313 1 60 . 1 1 8 8 ASP HB3 H 1 3.001 0.000 . 2 . . . . A 8 ASP HB3 . 34313 1 61 . 1 1 8 8 ASP CB C 13 35.753 0.000 . 1 . . . . A 8 ASP CB . 34313 1 62 . 1 1 9 9 GLY H H 1 8.258 0.000 . 1 . . . . A 9 GLY H . 34313 1 63 . 1 1 9 9 GLY HA2 H 1 4.099 0.000 . 2 . . . . A 9 GLY HA2 . 34313 1 64 . 1 1 9 9 GLY HA3 H 1 3.810 0.000 . 2 . . . . A 9 GLY HA3 . 34313 1 65 . 1 1 9 9 GLY CA C 13 44.801 0.000 . 1 . . . . A 9 GLY CA . 34313 1 66 . 1 1 10 10 ALA H H 1 8.729 0.000 . 1 . . . . A 10 ALA H . 34313 1 67 . 1 1 10 10 ALA HA H 1 4.084 0.000 . 1 . . . . A 10 ALA HA . 34313 1 68 . 1 1 10 10 ALA HB1 H 1 1.564 0.000 . 1 . . . . A 10 ALA HB1 . 34313 1 69 . 1 1 10 10 ALA HB2 H 1 1.564 0.000 . 1 . . . . A 10 ALA HB2 . 34313 1 70 . 1 1 10 10 ALA HB3 H 1 1.564 0.000 . 1 . . . . A 10 ALA HB3 . 34313 1 71 . 1 1 10 10 ALA CB C 13 15.384 0.000 . 1 . . . . A 10 ALA CB . 34313 1 72 . 1 1 11 11 LYS H H 1 7.961 0.000 . 1 . . . . A 11 LYS H . 34313 1 73 . 1 1 11 11 LYS HG2 H 1 1.564 0.000 . 2 . . . . A 11 LYS HG2 . 34313 1 74 . 1 1 11 11 LYS HG3 H 1 1.564 0.000 . 2 . . . . A 11 LYS HG3 . 34313 1 75 . 1 1 11 11 LYS HD2 H 1 1.973 0.000 . 2 . . . . A 11 LYS HD2 . 34313 1 76 . 1 1 11 11 LYS HD3 H 1 1.973 0.000 . 2 . . . . A 11 LYS HD3 . 34313 1 77 . 1 1 11 11 LYS HE2 H 1 3.111 0.000 . 2 . . . . A 11 LYS HE2 . 34313 1 78 . 1 1 11 11 LYS HE3 H 1 3.111 0.000 . 2 . . . . A 11 LYS HE3 . 34313 1 79 . 1 1 11 11 LYS CG C 13 22.238 0.000 . 1 . . . . A 11 LYS CG . 34313 1 80 . 1 1 11 11 LYS CE C 13 39.471 0.000 . 1 . . . . A 11 LYS CE . 34313 1 81 . 1 1 12 12 ASN H H 1 7.956 0.000 . 1 . . . . A 12 ASN H . 34313 1 82 . 1 1 12 12 ASN HA H 1 4.624 0.000 . 1 . . . . A 12 ASN HA . 34313 1 83 . 1 1 12 12 ASN HB2 H 1 3.084 0.000 . 2 . . . . A 12 ASN HB2 . 34313 1 84 . 1 1 12 12 ASN HB3 H 1 2.969 0.000 . 2 . . . . A 12 ASN HB3 . 34313 1 85 . 1 1 12 12 ASN HD21 H 1 6.918 0.000 . 2 . . . . A 12 ASN HD21 . 34313 1 86 . 1 1 12 12 ASN HD22 H 1 7.754 0.000 . 2 . . . . A 12 ASN HD22 . 34313 1 87 . 1 1 12 12 ASN CB C 13 35.742 0.000 . 1 . . . . A 12 ASN CB . 34313 1 88 . 1 1 13 13 VAL H H 1 8.256 0.000 . 1 . . . . A 13 VAL H . 34313 1 89 . 1 1 13 13 VAL HA H 1 3.962 0.000 . 1 . . . . A 13 VAL HA . 34313 1 90 . 1 1 13 13 VAL HB H 1 2.306 0.000 . 1 . . . . A 13 VAL HB . 34313 1 91 . 1 1 13 13 VAL HG11 H 1 1.172 0.000 . 2 . . . . A 13 VAL HG11 . 34313 1 92 . 1 1 13 13 VAL HG12 H 1 1.172 0.000 . 2 . . . . A 13 VAL HG12 . 34313 1 93 . 1 1 13 13 VAL HG13 H 1 1.172 0.000 . 2 . . . . A 13 VAL HG13 . 34313 1 94 . 1 1 13 13 VAL HG21 H 1 1.069 0.000 . 2 . . . . A 13 VAL HG21 . 34313 1 95 . 1 1 13 13 VAL HG22 H 1 1.069 0.000 . 2 . . . . A 13 VAL HG22 . 34313 1 96 . 1 1 13 13 VAL HG23 H 1 1.069 0.000 . 2 . . . . A 13 VAL HG23 . 34313 1 97 . 1 1 13 13 VAL CA C 13 63.031 0.000 . 1 . . . . A 13 VAL CA . 34313 1 98 . 1 1 13 13 VAL CB C 13 29.116 0.000 . 1 . . . . A 13 VAL CB . 34313 1 99 . 1 1 13 13 VAL CG1 C 13 20.003 0.000 . 1 . . . . A 13 VAL CG1 . 34313 1 100 . 1 1 13 13 VAL CG2 C 13 18.825 0.000 . 1 . . . . A 13 VAL CG2 . 34313 1 101 . 1 1 14 14 GLY H H 1 8.735 0.000 . 1 . . . . A 14 GLY H . 34313 1 102 . 1 1 14 14 GLY HA2 H 1 3.841 0.000 . 2 . . . . A 14 GLY HA2 . 34313 1 103 . 1 1 14 14 GLY HA3 H 1 3.841 0.000 . 2 . . . . A 14 GLY HA3 . 34313 1 104 . 1 1 14 14 GLY CA C 13 44.733 0.000 . 1 . . . . A 14 GLY CA . 34313 1 105 . 1 1 15 15 THR H H 1 8.247 0.000 . 1 . . . . A 15 THR H . 34313 1 106 . 1 1 15 15 THR HA H 1 4.380 0.000 . 1 . . . . A 15 THR HA . 34313 1 107 . 1 1 15 15 THR HB H 1 4.015 0.000 . 1 . . . . A 15 THR HB . 34313 1 108 . 1 1 15 15 THR HG21 H 1 1.393 0.000 . 1 . . . . A 15 THR HG21 . 34313 1 109 . 1 1 15 15 THR HG22 H 1 1.393 0.000 . 1 . . . . A 15 THR HG22 . 34313 1 110 . 1 1 15 15 THR HG23 H 1 1.393 0.000 . 1 . . . . A 15 THR HG23 . 34313 1 111 . 1 1 15 15 THR CB C 13 63.674 0.000 . 1 . . . . A 15 THR CB . 34313 1 112 . 1 1 15 15 THR CG2 C 13 19.030 0.000 . 1 . . . . A 15 THR CG2 . 34313 1 113 . 1 1 16 16 ALA H H 1 7.705 0.000 . 1 . . . . A 16 ALA H . 34313 1 114 . 1 1 16 16 ALA HA H 1 4.272 0.000 . 1 . . . . A 16 ALA HA . 34313 1 115 . 1 1 16 16 ALA HB1 H 1 1.663 0.000 . 1 . . . . A 16 ALA HB1 . 34313 1 116 . 1 1 16 16 ALA HB2 H 1 1.663 0.000 . 1 . . . . A 16 ALA HB2 . 34313 1 117 . 1 1 16 16 ALA HB3 H 1 1.663 0.000 . 1 . . . . A 16 ALA HB3 . 34313 1 118 . 1 1 16 16 ALA CB C 13 15.702 0.000 . 1 . . . . A 16 ALA CB . 34313 1 119 . 1 1 17 17 ILE H H 1 8.054 0.000 . 1 . . . . A 17 ILE H . 34313 1 120 . 1 1 17 17 ILE HA H 1 3.978 0.000 . 1 . . . . A 17 ILE HA . 34313 1 121 . 1 1 17 17 ILE HB H 1 2.146 0.000 . 1 . . . . A 17 ILE HB . 34313 1 122 . 1 1 17 17 ILE HG12 H 1 1.400 0.000 . 2 . . . . A 17 ILE HG12 . 34313 1 123 . 1 1 17 17 ILE HG13 H 1 1.285 0.000 . 2 . . . . A 17 ILE HG13 . 34313 1 124 . 1 1 17 17 ILE HG21 H 1 1.019 0.000 . 1 . . . . A 17 ILE HG21 . 34313 1 125 . 1 1 17 17 ILE HG22 H 1 1.019 0.000 . 1 . . . . A 17 ILE HG22 . 34313 1 126 . 1 1 17 17 ILE HG23 H 1 1.019 0.000 . 1 . . . . A 17 ILE HG23 . 34313 1 127 . 1 1 17 17 ILE HD11 H 1 0.965 0.000 . 1 . . . . A 17 ILE HD11 . 34313 1 128 . 1 1 17 17 ILE HD12 H 1 0.965 0.000 . 1 . . . . A 17 ILE HD12 . 34313 1 129 . 1 1 17 17 ILE HD13 H 1 0.965 0.000 . 1 . . . . A 17 ILE HD13 . 34313 1 130 . 1 1 17 17 ILE CA C 13 61.173 0.000 . 1 . . . . A 17 ILE CA . 34313 1 131 . 1 1 17 17 ILE CB C 13 35.315 0.000 . 1 . . . . A 17 ILE CB . 34313 1 132 . 1 1 17 17 ILE CG1 C 13 22.264 0.000 . 1 . . . . A 17 ILE CG1 . 34313 1 133 . 1 1 17 17 ILE CG2 C 13 14.749 0.000 . 1 . . . . A 17 ILE CG2 . 34313 1 134 . 1 1 17 17 ILE CD1 C 13 10.552 0.000 . 1 . . . . A 17 ILE CD1 . 34313 1 135 . 1 1 18 18 ILE H H 1 7.892 0.000 . 1 . . . . A 18 ILE H . 34313 1 136 . 1 1 18 18 ILE HA H 1 4.024 0.000 . 1 . . . . A 18 ILE HA . 34313 1 137 . 1 1 18 18 ILE HB H 1 2.125 0.000 . 1 . . . . A 18 ILE HB . 34313 1 138 . 1 1 18 18 ILE HG12 H 1 1.416 0.000 . 2 . . . . A 18 ILE HG12 . 34313 1 139 . 1 1 18 18 ILE HG13 H 1 1.020 0.000 . 2 . . . . A 18 ILE HG13 . 34313 1 140 . 1 1 18 18 ILE HG21 H 1 1.079 0.000 . 1 . . . . A 18 ILE HG21 . 34313 1 141 . 1 1 18 18 ILE HG22 H 1 1.079 0.000 . 1 . . . . A 18 ILE HG22 . 34313 1 142 . 1 1 18 18 ILE HG23 H 1 1.079 0.000 . 1 . . . . A 18 ILE HG23 . 34313 1 143 . 1 1 18 18 ILE HD11 H 1 0.957 0.000 . 1 . . . . A 18 ILE HD11 . 34313 1 144 . 1 1 18 18 ILE HD12 H 1 0.957 0.000 . 1 . . . . A 18 ILE HD12 . 34313 1 145 . 1 1 18 18 ILE HD13 H 1 0.957 0.000 . 1 . . . . A 18 ILE HD13 . 34313 1 146 . 1 1 18 18 ILE CA C 13 61.024 0.000 . 1 . . . . A 18 ILE CA . 34313 1 147 . 1 1 18 18 ILE CB C 13 35.290 0.000 . 1 . . . . A 18 ILE CB . 34313 1 148 . 1 1 18 18 ILE CG1 C 13 24.683 0.000 . 1 . . . . A 18 ILE CG1 . 34313 1 149 . 1 1 18 18 ILE CG2 C 13 15.228 0.000 . 1 . . . . A 18 ILE CG2 . 34313 1 150 . 1 1 18 18 ILE CD1 C 13 11.012 0.000 . 1 . . . . A 18 ILE CD1 . 34313 1 151 . 1 1 19 19 LYS H H 1 8.032 0.000 . 1 . . . . A 19 LYS H . 34313 1 152 . 1 1 19 19 LYS HA H 1 4.271 0.000 . 1 . . . . A 19 LYS HA . 34313 1 153 . 1 1 19 19 LYS HB2 H 1 1.995 0.000 . 2 . . . . A 19 LYS HB2 . 34313 1 154 . 1 1 19 19 LYS HB3 H 1 1.995 0.000 . 2 . . . . A 19 LYS HB3 . 34313 1 155 . 1 1 19 19 LYS HG2 H 1 1.567 0.000 . 2 . . . . A 19 LYS HG2 . 34313 1 156 . 1 1 19 19 LYS HG3 H 1 1.567 0.000 . 2 . . . . A 19 LYS HG3 . 34313 1 157 . 1 1 19 19 LYS HD2 H 1 1.655 0.000 . 2 . . . . A 19 LYS HD2 . 34313 1 158 . 1 1 19 19 LYS HD3 H 1 1.655 0.000 . 2 . . . . A 19 LYS HD3 . 34313 1 159 . 1 1 19 19 LYS HE2 H 1 3.094 0.000 . 2 . . . . A 19 LYS HE2 . 34313 1 160 . 1 1 19 19 LYS HE3 H 1 3.094 0.000 . 2 . . . . A 19 LYS HE3 . 34313 1 161 . 1 1 19 19 LYS CB C 13 29.926 0.000 . 1 . . . . A 19 LYS CB . 34313 1 162 . 1 1 19 19 LYS CG C 13 22.364 0.000 . 1 . . . . A 19 LYS CG . 34313 1 163 . 1 1 19 19 LYS CD C 13 26.785 0.000 . 1 . . . . A 19 LYS CD . 34313 1 164 . 1 1 19 19 LYS CE C 13 39.437 0.000 . 1 . . . . A 19 LYS CE . 34313 1 165 . 1 1 20 20 ASN H H 1 8.002 0.000 . 1 . . . . A 20 ASN H . 34313 1 166 . 1 1 20 20 ASN HA H 1 4.825 0.000 . 1 . . . . A 20 ASN HA . 34313 1 167 . 1 1 20 20 ASN HB2 H 1 2.971 0.000 . 2 . . . . A 20 ASN HB2 . 34313 1 168 . 1 1 20 20 ASN HB3 H 1 2.918 0.000 . 2 . . . . A 20 ASN HB3 . 34313 1 169 . 1 1 20 20 ASN HD21 H 1 7.780 0.000 . 2 . . . . A 20 ASN HD21 . 34313 1 170 . 1 1 20 20 ASN HD22 H 1 7.141 0.000 . 2 . . . . A 20 ASN HD22 . 34313 1 171 . 1 1 20 20 ASN CB C 13 35.786 0.000 . 1 . . . . A 20 ASN CB . 34313 1 172 . 1 1 21 21 ALA H H 1 8.298 0.000 . 1 . . . . A 21 ALA H . 34313 1 173 . 1 1 21 21 ALA HA H 1 4.354 0.000 . 1 . . . . A 21 ALA HA . 34313 1 174 . 1 1 21 21 ALA HB1 H 1 1.575 0.000 . 1 . . . . A 21 ALA HB1 . 34313 1 175 . 1 1 21 21 ALA HB2 H 1 1.575 0.000 . 1 . . . . A 21 ALA HB2 . 34313 1 176 . 1 1 21 21 ALA HB3 H 1 1.575 0.000 . 1 . . . . A 21 ALA HB3 . 34313 1 177 . 1 1 21 21 ALA CA C 13 58.749 0.000 . 1 . . . . A 21 ALA CA . 34313 1 178 . 1 1 21 21 ALA CB C 13 16.343 0.000 . 1 . . . . A 21 ALA CB . 34313 1 179 . 1 1 22 22 LYS H H 1 8.080 0.000 . 1 . . . . A 22 LYS H . 34313 1 180 . 1 1 22 22 LYS HA H 1 4.610 0.000 . 1 . . . . A 22 LYS HA . 34313 1 181 . 1 1 22 22 LYS HB2 H 1 1.938 0.000 . 2 . . . . A 22 LYS HB2 . 34313 1 182 . 1 1 22 22 LYS HB3 H 1 1.938 0.000 . 2 . . . . A 22 LYS HB3 . 34313 1 183 . 1 1 22 22 LYS HG2 H 1 1.556 0.000 . 2 . . . . A 22 LYS HG2 . 34313 1 184 . 1 1 22 22 LYS HG3 H 1 1.556 0.000 . 2 . . . . A 22 LYS HG3 . 34313 1 185 . 1 1 22 22 LYS HD2 H 1 1.646 0.000 . 2 . . . . A 22 LYS HD2 . 34313 1 186 . 1 1 22 22 LYS HD3 H 1 1.646 0.000 . 2 . . . . A 22 LYS HD3 . 34313 1 187 . 1 1 22 22 LYS HE2 H 1 3.090 0.000 . 2 . . . . A 22 LYS HE2 . 34313 1 188 . 1 1 22 22 LYS HE3 H 1 3.090 0.000 . 2 . . . . A 22 LYS HE3 . 34313 1 189 . 1 1 22 22 LYS CB C 13 30.550 0.000 . 1 . . . . A 22 LYS CB . 34313 1 190 . 1 1 22 22 LYS CG C 13 22.104 0.000 . 1 . . . . A 22 LYS CG . 34313 1 191 . 1 1 22 22 LYS CD C 13 26.789 0.000 . 1 . . . . A 22 LYS CD . 34313 1 192 . 1 1 22 22 LYS CE C 13 39.410 0.000 . 1 . . . . A 22 LYS CE . 34313 1 193 . 1 1 23 23 VAL H H 1 8.093 0.000 . 1 . . . . A 23 VAL H . 34313 1 194 . 1 1 23 23 VAL HA H 1 4.353 0.000 . 1 . . . . A 23 VAL HA . 34313 1 195 . 1 1 23 23 VAL HB H 1 2.213 0.000 . 1 . . . . A 23 VAL HB . 34313 1 196 . 1 1 23 23 VAL HG11 H 1 1.067 0.000 . 2 . . . . A 23 VAL HG11 . 34313 1 197 . 1 1 23 23 VAL HG12 H 1 1.067 0.000 . 2 . . . . A 23 VAL HG12 . 34313 1 198 . 1 1 23 23 VAL HG13 H 1 1.067 0.000 . 2 . . . . A 23 VAL HG13 . 34313 1 199 . 1 1 23 23 VAL HG21 H 1 1.067 0.000 . 2 . . . . A 23 VAL HG21 . 34313 1 200 . 1 1 23 23 VAL HG22 H 1 1.067 0.000 . 2 . . . . A 23 VAL HG22 . 34313 1 201 . 1 1 23 23 VAL HG23 H 1 1.067 0.000 . 2 . . . . A 23 VAL HG23 . 34313 1 202 . 1 1 23 23 VAL CA C 13 69.762 0.000 . 1 . . . . A 23 VAL CA . 34313 1 203 . 1 1 23 23 VAL CB C 13 30.616 0.000 . 1 . . . . A 23 VAL CB . 34313 1 204 . 1 1 24 24 CYS H H 1 8.364 0.000 . 1 . . . . A 24 CYS H . 34313 1 205 . 1 1 24 24 CYS HA H 1 5.390 0.000 . 1 . . . . A 24 CYS HA . 34313 1 206 . 1 1 24 24 CYS HB2 H 1 3.201 0.000 . 2 . . . . A 24 CYS HB2 . 34313 1 207 . 1 1 24 24 CYS HB3 H 1 3.123 0.000 . 2 . . . . A 24 CYS HB3 . 34313 1 208 . 1 1 25 25 VAL H H 1 8.471 0.000 . 1 . . . . A 25 VAL H . 34313 1 209 . 1 1 25 25 VAL HA H 1 4.199 0.000 . 1 . . . . A 25 VAL HA . 34313 1 210 . 1 1 25 25 VAL HB H 1 2.134 0.000 . 1 . . . . A 25 VAL HB . 34313 1 211 . 1 1 25 25 VAL HG11 H 1 0.947 0.000 . 2 . . . . A 25 VAL HG11 . 34313 1 212 . 1 1 25 25 VAL HG12 H 1 0.947 0.000 . 2 . . . . A 25 VAL HG12 . 34313 1 213 . 1 1 25 25 VAL HG13 H 1 0.947 0.000 . 2 . . . . A 25 VAL HG13 . 34313 1 214 . 1 1 25 25 VAL HG21 H 1 0.947 0.000 . 2 . . . . A 25 VAL HG21 . 34313 1 215 . 1 1 25 25 VAL HG22 H 1 0.947 0.000 . 2 . . . . A 25 VAL HG22 . 34313 1 216 . 1 1 25 25 VAL HG23 H 1 0.947 0.000 . 2 . . . . A 25 VAL HG23 . 34313 1 217 . 1 1 25 25 VAL CB C 13 30.558 0.000 . 1 . . . . A 25 VAL CB . 34313 1 218 . 1 1 25 25 VAL CG1 C 13 18.814 0.000 . 1 . . . . A 25 VAL CG1 . 34313 1 219 . 1 1 25 25 VAL CG2 C 13 18.027 0.000 . 1 . . . . A 25 VAL CG2 . 34313 1 220 . 1 1 26 26 TYR H H 1 8.359 0.000 . 1 . . . . A 26 TYR H . 34313 1 221 . 1 1 26 26 TYR HA H 1 4.338 0.000 . 1 . . . . A 26 TYR HA . 34313 1 222 . 1 1 26 26 TYR HB2 H 1 3.484 0.000 . 2 . . . . A 26 TYR HB2 . 34313 1 223 . 1 1 26 26 TYR HB3 H 1 3.078 0.000 . 2 . . . . A 26 TYR HB3 . 34313 1 224 . 1 1 26 26 TYR HD1 H 1 7.235 0.000 . 1 . . . . A 26 TYR HD1 . 34313 1 225 . 1 1 26 26 TYR HD2 H 1 7.235 0.000 . 1 . . . . A 26 TYR HD2 . 34313 1 226 . 1 1 26 26 TYR HE1 H 1 6.951 0.000 . 1 . . . . A 26 TYR HE1 . 34313 1 227 . 1 1 26 26 TYR HE2 H 1 6.951 0.000 . 1 . . . . A 26 TYR HE2 . 34313 1 228 . 1 1 26 26 TYR CB C 13 35.452 0.000 . 1 . . . . A 26 TYR CB . 34313 1 229 . 1 1 26 26 TYR CD1 C 13 130.292 0.000 . 1 . . . . A 26 TYR CD1 . 34313 1 230 . 1 1 26 26 TYR CE1 C 13 115.802 0.000 . 1 . . . . A 26 TYR CE1 . 34313 1 231 . 1 1 27 27 ALA H H 1 8.359 0.000 . 1 . . . . A 27 ALA H . 34313 1 232 . 1 1 27 27 ALA HA H 1 4.313 0.000 . 1 . . . . A 27 ALA HA . 34313 1 233 . 1 1 27 27 ALA HB1 H 1 1.596 0.000 . 1 . . . . A 27 ALA HB1 . 34313 1 234 . 1 1 27 27 ALA HB2 H 1 1.596 0.000 . 1 . . . . A 27 ALA HB2 . 34313 1 235 . 1 1 27 27 ALA HB3 H 1 1.596 0.000 . 1 . . . . A 27 ALA HB3 . 34313 1 236 . 1 1 27 27 ALA CB C 13 16.202 0.000 . 1 . . . . A 27 ALA CB . 34313 1 237 . 1 1 28 28 VAL H H 1 8.151 0.000 . 1 . . . . A 28 VAL H . 34313 1 238 . 1 1 28 28 VAL HA H 1 4.288 0.000 . 1 . . . . A 28 VAL HA . 34313 1 239 . 1 1 28 28 VAL HB H 1 2.411 0.000 . 1 . . . . A 28 VAL HB . 34313 1 240 . 1 1 28 28 VAL HG11 H 1 1.135 0.000 . 2 . . . . A 28 VAL HG11 . 34313 1 241 . 1 1 28 28 VAL HG12 H 1 1.135 0.000 . 2 . . . . A 28 VAL HG12 . 34313 1 242 . 1 1 28 28 VAL HG13 H 1 1.135 0.000 . 2 . . . . A 28 VAL HG13 . 34313 1 243 . 1 1 28 28 VAL HG21 H 1 1.067 0.000 . 2 . . . . A 28 VAL HG21 . 34313 1 244 . 1 1 28 28 VAL HG22 H 1 1.067 0.000 . 2 . . . . A 28 VAL HG22 . 34313 1 245 . 1 1 28 28 VAL HG23 H 1 1.067 0.000 . 2 . . . . A 28 VAL HG23 . 34313 1 246 . 1 1 28 28 VAL CA C 13 59.776 0.000 . 1 . . . . A 28 VAL CA . 34313 1 247 . 1 1 28 28 VAL CB C 13 29.653 0.000 . 1 . . . . A 28 VAL CB . 34313 1 248 . 1 1 28 28 VAL CG1 C 13 18.505 0.000 . 1 . . . . A 28 VAL CG1 . 34313 1 249 . 1 1 29 29 CYS H H 1 8.502 0.000 . 1 . . . . A 29 CYS H . 34313 1 250 . 1 1 29 29 CYS HA H 1 5.332 0.000 . 1 . . . . A 29 CYS HA . 34313 1 251 . 1 1 29 29 CYS HB2 H 1 3.170 0.000 . 2 . . . . A 29 CYS HB2 . 34313 1 252 . 1 1 29 29 CYS HB3 H 1 3.109 0.000 . 2 . . . . A 29 CYS HB3 . 34313 1 253 . 1 1 30 30 VAL H H 1 8.516 0.000 . 1 . . . . A 30 VAL H . 34313 1 254 . 1 1 30 30 VAL HA H 1 4.401 0.000 . 1 . . . . A 30 VAL HA . 34313 1 255 . 1 1 30 30 VAL HB H 1 2.223 0.000 . 1 . . . . A 30 VAL HB . 34313 1 256 . 1 1 30 30 VAL HG11 H 1 1.065 0.000 . 2 . . . . A 30 VAL HG11 . 34313 1 257 . 1 1 30 30 VAL HG12 H 1 1.065 0.000 . 2 . . . . A 30 VAL HG12 . 34313 1 258 . 1 1 30 30 VAL HG13 H 1 1.065 0.000 . 2 . . . . A 30 VAL HG13 . 34313 1 259 . 1 1 30 30 VAL HG21 H 1 1.065 0.000 . 2 . . . . A 30 VAL HG21 . 34313 1 260 . 1 1 30 30 VAL HG22 H 1 1.065 0.000 . 2 . . . . A 30 VAL HG22 . 34313 1 261 . 1 1 30 30 VAL HG23 H 1 1.065 0.000 . 2 . . . . A 30 VAL HG23 . 34313 1 262 . 1 1 30 30 VAL CB C 13 30.798 0.000 . 1 . . . . A 30 VAL CB . 34313 1 263 . 1 1 30 30 VAL CG1 C 13 18.027 0.000 . 1 . . . . A 30 VAL CG1 . 34313 1 264 . 1 1 31 31 SER H H 1 8.436 0.000 . 1 . . . . A 31 SER H . 34313 1 265 . 1 1 31 31 SER HA H 1 4.756 0.000 . 1 . . . . A 31 SER HA . 34313 1 266 . 1 1 31 31 SER HB2 H 1 3.980 0.000 . 2 . . . . A 31 SER HB2 . 34313 1 267 . 1 1 31 31 SER HB3 H 1 3.915 0.000 . 2 . . . . A 31 SER HB3 . 34313 1 268 . 1 1 31 31 SER CB C 13 61.950 0.000 . 1 . . . . A 31 SER CB . 34313 1 269 . 1 1 32 32 HIS H H 1 8.464 0.000 . 1 . . . . A 32 HIS H . 34313 1 270 . 1 1 32 32 HIS HA H 1 4.902 0.000 . 1 . . . . A 32 HIS HA . 34313 1 271 . 1 1 32 32 HIS HB2 H 1 3.425 0.000 . 2 . . . . A 32 HIS HB2 . 34313 1 272 . 1 1 32 32 HIS HB3 H 1 3.295 0.000 . 2 . . . . A 32 HIS HB3 . 34313 1 273 . 1 1 32 32 HIS HD2 H 1 7.450 0.000 . 1 . . . . A 32 HIS HD2 . 34313 1 274 . 1 1 32 32 HIS CB C 13 26.961 0.000 . 1 . . . . A 32 HIS CB . 34313 1 275 . 1 1 32 32 HIS CD2 C 13 117.855 0.000 . 1 . . . . A 32 HIS CD2 . 34313 1 276 . 1 1 33 33 LYS H H 1 8.397 0.000 . 1 . . . . A 33 LYS H . 34313 1 277 . 1 1 33 33 LYS HA H 1 4.362 0.000 . 1 . . . . A 33 LYS HA . 34313 1 278 . 1 1 33 33 LYS HB2 H 1 1.966 0.000 . 2 . . . . A 33 LYS HB2 . 34313 1 279 . 1 1 33 33 LYS HB3 H 1 1.865 0.000 . 2 . . . . A 33 LYS HB3 . 34313 1 280 . 1 1 33 33 LYS HG2 H 1 1.547 0.000 . 2 . . . . A 33 LYS HG2 . 34313 1 281 . 1 1 33 33 LYS HG3 H 1 1.547 0.000 . 2 . . . . A 33 LYS HG3 . 34313 1 282 . 1 1 33 33 LYS HD2 H 1 1.636 0.000 . 2 . . . . A 33 LYS HD2 . 34313 1 283 . 1 1 33 33 LYS HD3 H 1 1.636 0.000 . 2 . . . . A 33 LYS HD3 . 34313 1 284 . 1 1 33 33 LYS HE2 H 1 3.092 0.000 . 2 . . . . A 33 LYS HE2 . 34313 1 285 . 1 1 33 33 LYS HE3 H 1 3.092 0.000 . 2 . . . . A 33 LYS HE3 . 34313 1 286 . 1 1 33 33 LYS CB C 13 30.423 0.000 . 1 . . . . A 33 LYS CB . 34313 1 287 . 1 1 33 33 LYS CG C 13 22.102 0.000 . 1 . . . . A 33 LYS CG . 34313 1 288 . 1 1 33 33 LYS CD C 13 26.804 0.000 . 1 . . . . A 33 LYS CD . 34313 1 289 . 1 1 33 33 LYS CE C 13 39.331 0.000 . 1 . . . . A 33 LYS CE . 34313 1 stop_ save_