################################### # 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 30945 _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' . . . 30945 1 2 '2D 1H-1H TOCSY' . . . 30945 1 3 '2D 1H-13C HSQC' . . . 30945 1 4 '2D 1H-15N HSQC' . . . 30945 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.642 0.001 . . . . . . A 1 GLY HA2 . 30945 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.984 0.005 . . . . . . A 1 GLY HA3 . 30945 1 3 . 1 . 1 1 1 GLY CA C 13 43.631 0.000 . . . . . . A 1 GLY CA . 30945 1 4 . 1 . 1 2 2 VAL H H 1 8.764 0.000 . . . . . . A 2 VAL H . 30945 1 5 . 1 . 1 2 2 VAL HA H 1 3.789 0.002 . . . . . . A 2 VAL HA . 30945 1 6 . 1 . 1 2 2 VAL HB H 1 2.068 0.000 . . . . . . A 2 VAL HB . 30945 1 7 . 1 . 1 2 2 VAL HG11 H 1 1.048 0.007 . . . . . . A 2 VAL HG11 . 30945 1 8 . 1 . 1 2 2 VAL HG12 H 1 1.048 0.007 . . . . . . A 2 VAL HG12 . 30945 1 9 . 1 . 1 2 2 VAL HG13 H 1 1.048 0.007 . . . . . . A 2 VAL HG13 . 30945 1 10 . 1 . 1 2 2 VAL HG21 H 1 0.944 0.004 . . . . . . A 2 VAL HG21 . 30945 1 11 . 1 . 1 2 2 VAL HG22 H 1 0.944 0.004 . . . . . . A 2 VAL HG22 . 30945 1 12 . 1 . 1 2 2 VAL HG23 H 1 0.944 0.004 . . . . . . A 2 VAL HG23 . 30945 1 13 . 1 . 1 2 2 VAL CA C 13 65.495 0.000 . . . . . . A 2 VAL CA . 30945 1 14 . 1 . 1 2 2 VAL CB C 13 31.716 0.000 . . . . . . A 2 VAL CB . 30945 1 15 . 1 . 1 2 2 VAL CG1 C 13 21.680 0.000 . . . . . . A 2 VAL CG1 . 30945 1 16 . 1 . 1 2 2 VAL CG2 C 13 22.366 0.000 . . . . . . A 2 VAL CG2 . 30945 1 17 . 1 . 1 2 2 VAL N N 15 120.753 0.000 . . . . . . A 2 VAL N . 30945 1 18 . 1 . 1 3 3 GLY H H 1 8.724 0.001 . . . . . . A 3 GLY H . 30945 1 19 . 1 . 1 3 3 GLY HA2 H 1 3.992 0.002 . . . . . . A 3 GLY HA2 . 30945 1 20 . 1 . 1 3 3 GLY HA3 H 1 3.630 0.012 . . . . . . A 3 GLY HA3 . 30945 1 21 . 1 . 1 3 3 GLY CA C 13 43.590 0.000 . . . . . . A 3 GLY CA . 30945 1 22 . 1 . 1 3 3 GLY N N 15 109.411 0.000 . . . . . . A 3 GLY N . 30945 1 23 . 1 . 1 4 4 ASP H H 1 7.656 0.000 . . . . . . A 4 ASP H . 30945 1 24 . 1 . 1 4 4 ASP HA H 1 4.319 0.000 . . . . . . A 4 ASP HA . 30945 1 25 . 1 . 1 4 4 ASP HB2 H 1 2.776 0.002 . . . . . . A 4 ASP HB2 . 30945 1 26 . 1 . 1 4 4 ASP HB3 H 1 2.644 0.003 . . . . . . A 4 ASP HB3 . 30945 1 27 . 1 . 1 4 4 ASP CA C 13 57.308 0.000 . . . . . . A 4 ASP CA . 30945 1 28 . 1 . 1 4 4 ASP CB C 13 40.675 0.000 . . . . . . A 4 ASP CB . 30945 1 29 . 1 . 1 4 4 ASP N N 15 119.108 0.000 . . . . . . A 4 ASP N . 30945 1 30 . 1 . 1 5 5 LEU H H 1 7.761 0.003 . . . . . . A 5 LEU H . 30945 1 31 . 1 . 1 5 5 LEU HA H 1 4.076 0.001 . . . . . . A 5 LEU HA . 30945 1 32 . 1 . 1 5 5 LEU HB2 H 1 1.940 0.004 . . . . . . A 5 LEU HB2 . 30945 1 33 . 1 . 1 5 5 LEU HB3 H 1 1.734 0.008 . . . . . . A 5 LEU HB3 . 30945 1 34 . 1 . 1 5 5 LEU HG H 1 1.583 0.001 . . . . . . A 5 LEU HG . 30945 1 35 . 1 . 1 5 5 LEU HD11 H 1 0.917 0.005 . . . . . . A 5 LEU HD11 . 30945 1 36 . 1 . 1 5 5 LEU HD12 H 1 0.917 0.005 . . . . . . A 5 LEU HD12 . 30945 1 37 . 1 . 1 5 5 LEU HD13 H 1 0.917 0.005 . . . . . . A 5 LEU HD13 . 30945 1 38 . 1 . 1 5 5 LEU HD21 H 1 0.855 0.006 . . . . . . A 5 LEU HD21 . 30945 1 39 . 1 . 1 5 5 LEU HD22 H 1 0.855 0.006 . . . . . . A 5 LEU HD22 . 30945 1 40 . 1 . 1 5 5 LEU HD23 H 1 0.855 0.006 . . . . . . A 5 LEU HD23 . 30945 1 41 . 1 . 1 5 5 LEU CA C 13 59.149 0.000 . . . . . . A 5 LEU CA . 30945 1 42 . 1 . 1 5 5 LEU CB C 13 41.447 0.000 . . . . . . A 5 LEU CB . 30945 1 43 . 1 . 1 5 5 LEU CG C 13 27.124 0.000 . . . . . . A 5 LEU CG . 30945 1 44 . 1 . 1 5 5 LEU CD1 C 13 25.152 0.000 . . . . . . A 5 LEU CD1 . 30945 1 45 . 1 . 1 5 5 LEU CD2 C 13 23.823 0.000 . . . . . . A 5 LEU CD2 . 30945 1 46 . 1 . 1 5 5 LEU N N 15 121.073 0.000 . . . . . . A 5 LEU N . 30945 1 47 . 1 . 1 6 6 ILE H H 1 8.044 0.001 . . . . . . A 6 ILE H . 30945 1 48 . 1 . 1 6 6 ILE HA H 1 3.582 0.003 . . . . . . A 6 ILE HA . 30945 1 49 . 1 . 1 6 6 ILE HB H 1 1.941 0.006 . . . . . . A 6 ILE HB . 30945 1 50 . 1 . 1 6 6 ILE HG12 H 1 1.767 0.004 . . . . . . A 6 ILE HG12 . 30945 1 51 . 1 . 1 6 6 ILE HG13 H 1 1.723 0.003 . . . . . . A 6 ILE HG13 . 30945 1 52 . 1 . 1 6 6 ILE HG21 H 1 1.123 0.005 . . . . . . A 6 ILE HG21 . 30945 1 53 . 1 . 1 6 6 ILE HG22 H 1 1.123 0.005 . . . . . . A 6 ILE HG22 . 30945 1 54 . 1 . 1 6 6 ILE HG23 H 1 1.123 0.005 . . . . . . A 6 ILE HG23 . 30945 1 55 . 1 . 1 6 6 ILE HD11 H 1 0.851 0.001 . . . . . . A 6 ILE HD11 . 30945 1 56 . 1 . 1 6 6 ILE HD12 H 1 0.851 0.001 . . . . . . A 6 ILE HD12 . 30945 1 57 . 1 . 1 6 6 ILE HD13 H 1 0.851 0.001 . . . . . . A 6 ILE HD13 . 30945 1 58 . 1 . 1 6 6 ILE CA C 13 65.108 0.000 . . . . . . A 6 ILE CA . 30945 1 59 . 1 . 1 6 6 ILE CB C 13 37.369 0.000 . . . . . . A 6 ILE CB . 30945 1 60 . 1 . 1 6 6 ILE CG1 C 13 29.439 0.000 . . . . . . A 6 ILE CG1 . 30945 1 61 . 1 . 1 6 6 ILE CG2 C 13 24.440 0.000 . . . . . . A 6 ILE CG2 . 30945 1 62 . 1 . 1 6 6 ILE CD1 C 13 17.865 0.000 . . . . . . A 6 ILE CD1 . 30945 1 63 . 1 . 1 6 6 ILE N N 15 118.728 0.000 . . . . . . A 6 ILE N . 30945 1 64 . 1 . 1 7 7 ARG H H 1 8.098 0.001 . . . . . . A 7 ARG H . 30945 1 65 . 1 . 1 7 7 ARG HA H 1 3.822 0.006 . . . . . . A 7 ARG HA . 30945 1 66 . 1 . 1 7 7 ARG HB2 H 1 1.826 0.003 . . . . . . A 7 ARG HB2 . 30945 1 67 . 1 . 1 7 7 ARG HB3 H 1 1.826 0.003 . . . . . . A 7 ARG HB3 . 30945 1 68 . 1 . 1 7 7 ARG HG2 H 1 1.568 0.005 . . . . . . A 7 ARG HG2 . 30945 1 69 . 1 . 1 7 7 ARG HG3 H 1 1.568 0.005 . . . . . . A 7 ARG HG3 . 30945 1 70 . 1 . 1 7 7 ARG HD2 H 1 3.221 0.000 . . . . . . A 7 ARG HD2 . 30945 1 71 . 1 . 1 7 7 ARG HD3 H 1 3.088 0.000 . . . . . . A 7 ARG HD3 . 30945 1 72 . 1 . 1 7 7 ARG HE H 1 7.225 0.000 . . . . . . A 7 ARG HE . 30945 1 73 . 1 . 1 7 7 ARG CA C 13 60.392 0.000 . . . . . . A 7 ARG CA . 30945 1 74 . 1 . 1 7 7 ARG CB C 13 32.268 0.000 . . . . . . A 7 ARG CB . 30945 1 75 . 1 . 1 7 7 ARG CG C 13 30.896 0.000 . . . . . . A 7 ARG CG . 30945 1 76 . 1 . 1 7 7 ARG CD C 13 43.285 0.000 . . . . . . A 7 ARG CD . 30945 1 77 . 1 . 1 7 7 ARG N N 15 117.760 0.000 . . . . . . A 7 ARG N . 30945 1 78 . 1 . 1 8 8 LYS H H 1 7.839 0.002 . . . . . . A 8 LYS H . 30945 1 79 . 1 . 1 8 8 LYS HA H 1 4.067 0.001 . . . . . . A 8 LYS HA . 30945 1 80 . 1 . 1 8 8 LYS HB2 H 1 1.963 0.006 . . . . . . A 8 LYS HB2 . 30945 1 81 . 1 . 1 8 8 LYS HB3 H 1 1.963 0.006 . . . . . . A 8 LYS HB3 . 30945 1 82 . 1 . 1 8 8 LYS HG2 H 1 1.460 0.003 . . . . . . A 8 LYS HG2 . 30945 1 83 . 1 . 1 8 8 LYS HG3 H 1 1.460 0.003 . . . . . . A 8 LYS HG3 . 30945 1 84 . 1 . 1 8 8 LYS HD2 H 1 1.641 0.000 . . . . . . A 8 LYS HD2 . 30945 1 85 . 1 . 1 8 8 LYS HD3 H 1 1.641 0.000 . . . . . . A 8 LYS HD3 . 30945 1 86 . 1 . 1 8 8 LYS HE2 H 1 2.852 0.004 . . . . . . A 8 LYS HE2 . 30945 1 87 . 1 . 1 8 8 LYS HE3 H 1 2.852 0.004 . . . . . . A 8 LYS HE3 . 30945 1 88 . 1 . 1 8 8 LYS CA C 13 59.149 0.000 . . . . . . A 8 LYS CA . 30945 1 89 . 1 . 1 8 8 LYS CB C 13 32.011 0.000 . . . . . . A 8 LYS CB . 30945 1 90 . 1 . 1 8 8 LYS CG C 13 25.109 0.000 . . . . . . A 8 LYS CG . 30945 1 91 . 1 . 1 8 8 LYS CD C 13 29.096 0.000 . . . . . . A 8 LYS CD . 30945 1 92 . 1 . 1 8 8 LYS CE C 13 42.042 0.000 . . . . . . A 8 LYS CE . 30945 1 93 . 1 . 1 8 8 LYS N N 15 120.249 0.000 . . . . . . A 8 LYS N . 30945 1 94 . 1 . 1 9 9 ALA H H 1 8.357 0.001 . . . . . . A 9 ALA H . 30945 1 95 . 1 . 1 9 9 ALA HA H 1 3.908 0.003 . . . . . . A 9 ALA HA . 30945 1 96 . 1 . 1 9 9 ALA HB1 H 1 1.462 0.002 . . . . . . A 9 ALA HB1 . 30945 1 97 . 1 . 1 9 9 ALA HB2 H 1 1.462 0.002 . . . . . . A 9 ALA HB2 . 30945 1 98 . 1 . 1 9 9 ALA HB3 H 1 1.462 0.002 . . . . . . A 9 ALA HB3 . 30945 1 99 . 1 . 1 9 9 ALA CA C 13 55.548 0.000 . . . . . . A 9 ALA CA . 30945 1 100 . 1 . 1 9 9 ALA CB C 13 18.208 0.000 . . . . . . A 9 ALA CB . 30945 1 101 . 1 . 1 9 9 ALA N N 15 121.962 0.000 . . . . . . A 9 ALA N . 30945 1 102 . 1 . 1 10 10 VAL H H 1 8.500 0.001 . . . . . . A 10 VAL H . 30945 1 103 . 1 . 1 10 10 VAL HA H 1 3.430 0.001 . . . . . . A 10 VAL HA . 30945 1 104 . 1 . 1 10 10 VAL HB H 1 2.141 0.004 . . . . . . A 10 VAL HB . 30945 1 105 . 1 . 1 10 10 VAL HG11 H 1 0.906 0.004 . . . . . . A 10 VAL HG11 . 30945 1 106 . 1 . 1 10 10 VAL HG12 H 1 0.906 0.004 . . . . . . A 10 VAL HG12 . 30945 1 107 . 1 . 1 10 10 VAL HG13 H 1 0.906 0.004 . . . . . . A 10 VAL HG13 . 30945 1 108 . 1 . 1 10 10 VAL HG21 H 1 1.034 0.001 . . . . . . A 10 VAL HG21 . 30945 1 109 . 1 . 1 10 10 VAL HG22 H 1 1.034 0.001 . . . . . . A 10 VAL HG22 . 30945 1 110 . 1 . 1 10 10 VAL HG23 H 1 1.034 0.001 . . . . . . A 10 VAL HG23 . 30945 1 111 . 1 . 1 10 10 VAL CA C 13 67.122 0.000 . . . . . . A 10 VAL CA . 30945 1 112 . 1 . 1 10 10 VAL CB C 13 32.354 0.000 . . . . . . A 10 VAL CB . 30945 1 113 . 1 . 1 10 10 VAL CG1 C 13 23.437 0.000 . . . . . . A 10 VAL CG1 . 30945 1 114 . 1 . 1 10 10 VAL CG2 C 13 21.594 0.000 . . . . . . A 10 VAL CG2 . 30945 1 115 . 1 . 1 10 10 VAL N N 15 116.256 0.000 . . . . . . A 10 VAL N . 30945 1 116 . 1 . 1 11 11 SER H H 1 7.727 0.000 . . . . . . A 11 SER H . 30945 1 117 . 1 . 1 11 11 SER HA H 1 4.066 0.003 . . . . . . A 11 SER HA . 30945 1 118 . 1 . 1 11 11 SER HB2 H 1 3.991 0.004 . . . . . . A 11 SER HB2 . 30945 1 119 . 1 . 1 11 11 SER HB3 H 1 3.991 0.004 . . . . . . A 11 SER HB3 . 30945 1 120 . 1 . 1 11 11 SER CA C 13 62.021 0.000 . . . . . . A 11 SER CA . 30945 1 121 . 1 . 1 11 11 SER CB C 13 62.921 0.000 . . . . . . A 11 SER CB . 30945 1 122 . 1 . 1 11 11 SER N N 15 114.068 0.000 . . . . . . A 11 SER N . 30945 1 123 . 1 . 1 12 12 VAL H H 1 7.894 0.000 . . . . . . A 12 VAL H . 30945 1 124 . 1 . 1 12 12 VAL HA H 1 3.748 0.000 . . . . . . A 12 VAL HA . 30945 1 125 . 1 . 1 12 12 VAL HB H 1 2.224 0.002 . . . . . . A 12 VAL HB . 30945 1 126 . 1 . 1 12 12 VAL HG11 H 1 1.066 0.004 . . . . . . A 12 VAL HG11 . 30945 1 127 . 1 . 1 12 12 VAL HG12 H 1 1.066 0.004 . . . . . . A 12 VAL HG12 . 30945 1 128 . 1 . 1 12 12 VAL HG13 H 1 1.066 0.004 . . . . . . A 12 VAL HG13 . 30945 1 129 . 1 . 1 12 12 VAL HG21 H 1 0.936 0.007 . . . . . . A 12 VAL HG21 . 30945 1 130 . 1 . 1 12 12 VAL HG22 H 1 0.936 0.007 . . . . . . A 12 VAL HG22 . 30945 1 131 . 1 . 1 12 12 VAL HG23 H 1 0.936 0.007 . . . . . . A 12 VAL HG23 . 30945 1 132 . 1 . 1 12 12 VAL CA C 13 66.265 0.000 . . . . . . A 12 VAL CA . 30945 1 133 . 1 . 1 12 12 VAL CB C 13 31.796 0.000 . . . . . . A 12 VAL CB . 30945 1 134 . 1 . 1 12 12 VAL CG1 C 13 22.751 0.000 . . . . . . A 12 VAL CG1 . 30945 1 135 . 1 . 1 12 12 VAL CG2 C 13 21.637 0.000 . . . . . . A 12 VAL CG2 . 30945 1 136 . 1 . 1 12 12 VAL N N 15 122.024 0.000 . . . . . . A 12 VAL N . 30945 1 137 . 1 . 1 13 13 ILE H H 1 8.208 0.000 . . . . . . A 13 ILE H . 30945 1 138 . 1 . 1 13 13 ILE HA H 1 3.580 0.005 . . . . . . A 13 ILE HA . 30945 1 139 . 1 . 1 13 13 ILE HB H 1 1.922 0.010 . . . . . . A 13 ILE HB . 30945 1 140 . 1 . 1 13 13 ILE HG12 H 1 1.722 0.003 . . . . . . A 13 ILE HG12 . 30945 1 141 . 1 . 1 13 13 ILE HG13 H 1 1.766 0.000 . . . . . . A 13 ILE HG13 . 30945 1 142 . 1 . 1 13 13 ILE HG21 H 1 0.850 0.001 . . . . . . A 13 ILE HG21 . 30945 1 143 . 1 . 1 13 13 ILE HG22 H 1 0.850 0.001 . . . . . . A 13 ILE HG22 . 30945 1 144 . 1 . 1 13 13 ILE HG23 H 1 0.850 0.001 . . . . . . A 13 ILE HG23 . 30945 1 145 . 1 . 1 13 13 ILE HD11 H 1 0.768 0.005 . . . . . . A 13 ILE HD11 . 30945 1 146 . 1 . 1 13 13 ILE HD12 H 1 0.768 0.005 . . . . . . A 13 ILE HD12 . 30945 1 147 . 1 . 1 13 13 ILE HD13 H 1 0.768 0.005 . . . . . . A 13 ILE HD13 . 30945 1 148 . 1 . 1 13 13 ILE CA C 13 65.193 0.000 . . . . . . A 13 ILE CA . 30945 1 149 . 1 . 1 13 13 ILE CB C 13 38.912 0.000 . . . . . . A 13 ILE CB . 30945 1 150 . 1 . 1 13 13 ILE CG1 C 13 29.053 0.000 . . . . . . A 13 ILE CG1 . 30945 1 151 . 1 . 1 13 13 ILE CG2 C 13 17.865 0.000 . . . . . . A 13 ILE CG2 . 30945 1 152 . 1 . 1 13 13 ILE CD1 C 13 12.892 0.000 . . . . . . A 13 ILE CD1 . 30945 1 153 . 1 . 1 13 13 ILE N N 15 119.756 0.000 . . . . . . A 13 ILE N . 30945 1 154 . 1 . 1 14 14 LYS H H 1 8.668 0.001 . . . . . . A 14 LYS H . 30945 1 155 . 1 . 1 14 14 LYS HA H 1 3.829 0.004 . . . . . . A 14 LYS HA . 30945 1 156 . 1 . 1 14 14 LYS HB2 H 1 1.821 0.001 . . . . . . A 14 LYS HB2 . 30945 1 157 . 1 . 1 14 14 LYS HB3 H 1 1.821 0.001 . . . . . . A 14 LYS HB3 . 30945 1 158 . 1 . 1 14 14 LYS HG2 H 1 1.344 0.002 . . . . . . A 14 LYS HG2 . 30945 1 159 . 1 . 1 14 14 LYS HG3 H 1 1.344 0.002 . . . . . . A 14 LYS HG3 . 30945 1 160 . 1 . 1 14 14 LYS HD2 H 1 1.601 0.004 . . . . . . A 14 LYS HD2 . 30945 1 161 . 1 . 1 14 14 LYS HD3 H 1 1.601 0.004 . . . . . . A 14 LYS HD3 . 30945 1 162 . 1 . 1 14 14 LYS HE2 H 1 2.875 0.000 . . . . . . A 14 LYS HE2 . 30945 1 163 . 1 . 1 14 14 LYS HE3 H 1 2.875 0.000 . . . . . . A 14 LYS HE3 . 30945 1 164 . 1 . 1 14 14 LYS CA C 13 60.307 0.000 . . . . . . A 14 LYS CA . 30945 1 165 . 1 . 1 14 14 LYS CB C 13 30.039 0.000 . . . . . . A 14 LYS CB . 30945 1 166 . 1 . 1 14 14 LYS CG C 13 25.966 0.000 . . . . . . A 14 LYS CG . 30945 1 167 . 1 . 1 14 14 LYS CD C 13 29.567 0.000 . . . . . . A 14 LYS CD . 30945 1 168 . 1 . 1 14 14 LYS CE C 13 38.698 0.000 . . . . . . A 14 LYS CE . 30945 1 169 . 1 . 1 14 14 LYS N N 15 118.505 0.000 . . . . . . A 14 LYS N . 30945 1 170 . 1 . 1 15 15 ASN H H 1 7.630 0.001 . . . . . . A 15 ASN H . 30945 1 171 . 1 . 1 15 15 ASN HA H 1 4.455 0.000 . . . . . . A 15 ASN HA . 30945 1 172 . 1 . 1 15 15 ASN HB2 H 1 2.846 0.001 . . . . . . A 15 ASN HB2 . 30945 1 173 . 1 . 1 15 15 ASN HB3 H 1 2.928 0.001 . . . . . . A 15 ASN HB3 . 30945 1 174 . 1 . 1 15 15 ASN HD21 H 1 6.794 0.005 . . . . . . A 15 ASN HD21 . 30945 1 175 . 1 . 1 15 15 ASN HD22 H 1 7.580 0.001 . . . . . . A 15 ASN HD22 . 30945 1 176 . 1 . 1 15 15 ASN CA C 13 55.377 0.000 . . . . . . A 15 ASN CA . 30945 1 177 . 1 . 1 15 15 ASN CB C 13 41.956 0.000 . . . . . . A 15 ASN CB . 30945 1 178 . 1 . 1 15 15 ASN N N 15 114.216 0.000 . . . . . . A 15 ASN N . 30945 1 179 . 1 . 1 16 16 ILE H H 1 7.886 0.000 . . . . . . A 16 ILE H . 30945 1 180 . 1 . 1 16 16 ILE HA H 1 3.910 0.004 . . . . . . A 16 ILE HA . 30945 1 181 . 1 . 1 16 16 ILE HB H 1 1.911 0.000 . . . . . . A 16 ILE HB . 30945 1 182 . 1 . 1 16 16 ILE HG12 H 1 1.196 0.005 . . . . . . A 16 ILE HG12 . 30945 1 183 . 1 . 1 16 16 ILE HG13 H 1 1.727 0.000 . . . . . . A 16 ILE HG13 . 30945 1 184 . 1 . 1 16 16 ILE HG21 H 1 0.928 0.007 . . . . . . A 16 ILE HG21 . 30945 1 185 . 1 . 1 16 16 ILE HG22 H 1 0.928 0.007 . . . . . . A 16 ILE HG22 . 30945 1 186 . 1 . 1 16 16 ILE HG23 H 1 0.928 0.007 . . . . . . A 16 ILE HG23 . 30945 1 187 . 1 . 1 16 16 ILE HD11 H 1 0.789 0.001 . . . . . . A 16 ILE HD11 . 30945 1 188 . 1 . 1 16 16 ILE HD12 H 1 0.789 0.001 . . . . . . A 16 ILE HD12 . 30945 1 189 . 1 . 1 16 16 ILE HD13 H 1 0.789 0.001 . . . . . . A 16 ILE HD13 . 30945 1 190 . 1 . 1 16 16 ILE CA C 13 63.779 0.000 . . . . . . A 16 ILE CA . 30945 1 191 . 1 . 1 16 16 ILE CB C 13 38.955 0.000 . . . . . . A 16 ILE CB . 30945 1 192 . 1 . 1 16 16 ILE CG1 C 13 31.411 0.000 . . . . . . A 16 ILE CG1 . 30945 1 193 . 1 . 1 16 16 ILE CG2 C 13 17.265 0.000 . . . . . . A 16 ILE CG2 . 30945 1 194 . 1 . 1 16 16 ILE CD1 C 13 13.621 0.000 . . . . . . A 16 ILE CD1 . 30945 1 195 . 1 . 1 16 16 ILE N N 15 119.298 0.000 . . . . . . A 16 ILE N . 30945 1 196 . 1 . 1 17 17 VAL H H 1 8.044 0.000 . . . . . . A 17 VAL H . 30945 1 197 . 1 . 1 17 17 VAL HA H 1 3.905 0.000 . . . . . . A 17 VAL HA . 30945 1 198 . 1 . 1 17 17 VAL HB H 1 2.117 0.003 . . . . . . A 17 VAL HB . 30945 1 199 . 1 . 1 17 17 VAL HG11 H 1 0.860 0.000 . . . . . . A 17 VAL HG11 . 30945 1 200 . 1 . 1 17 17 VAL HG12 H 1 0.860 0.000 . . . . . . A 17 VAL HG12 . 30945 1 201 . 1 . 1 17 17 VAL HG13 H 1 0.860 0.000 . . . . . . A 17 VAL HG13 . 30945 1 202 . 1 . 1 17 17 VAL HG21 H 1 0.938 0.003 . . . . . . A 17 VAL HG21 . 30945 1 203 . 1 . 1 17 17 VAL HG22 H 1 0.938 0.003 . . . . . . A 17 VAL HG22 . 30945 1 204 . 1 . 1 17 17 VAL HG23 H 1 0.938 0.003 . . . . . . A 17 VAL HG23 . 30945 1 205 . 1 . 1 17 17 VAL CA C 13 58.077 0.000 . . . . . . A 17 VAL CA . 30945 1 206 . 1 . 1 17 17 VAL CB C 13 31.796 0.000 . . . . . . A 17 VAL CB . 30945 1 207 . 1 . 1 17 17 VAL CG1 C 13 21.080 0.000 . . . . . . A 17 VAL CG1 . 30945 1 208 . 1 . 1 17 17 VAL CG2 C 13 21.165 0.000 . . . . . . A 17 VAL CG2 . 30945 1 209 . 1 . 1 17 17 VAL N N 15 116.667 0.000 . . . . . . A 17 VAL N . 30945 1 210 . 1 . 1 18 18 NH2 HN1 H 1 7.208 0.000 . . . . . . A 18 NH2 HN1 . 30945 1 211 . 1 . 1 18 18 NH2 HN2 H 1 6.924 0.000 . . . . . . A 18 NH2 HN2 . 30945 1 stop_ save_