################################### # 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 51891 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Abf2-HMG1 _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-15N HSQC' . . . 51891 1 2 '2D 1H-13C HSQC aliphatic' . . . 51891 1 3 '3D HCCH-TOCSY' . . . 51891 1 4 '3D (H)CCH-TOCSY' . . . 51891 1 5 '3D CBCACONH' . . . 51891 1 6 '3D CBCANH' . . . 51891 1 7 '3D HNCO' . . . 51891 1 8 '3D HNCA' . . . 51891 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51891 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 LYS HA H 1 3.962 0.020 . 1 . . . . . 27 LYS HA . 51891 1 2 . 1 . 1 1 1 LYS HB2 H 1 1.838 0.020 . 1 . . . . . 27 LYS HB2 . 51891 1 3 . 1 . 1 1 1 LYS HB3 H 1 1.838 0.020 . 1 . . . . . 27 LYS HB3 . 51891 1 4 . 1 . 1 1 1 LYS CA C 13 55.348 0.3 . 1 . . . . . 27 LYS CA . 51891 1 5 . 1 . 1 1 1 LYS CB C 13 32.990 0.3 . 1 . . . . . 27 LYS CB . 51891 1 6 . 1 . 1 2 2 ALA H H 1 8.594 0.020 . 1 . . . . . 28 ALA H . 51891 1 7 . 1 . 1 2 2 ALA HA H 1 4.323 0.020 . 1 . . . . . 28 ALA HA . 51891 1 8 . 1 . 1 2 2 ALA HB1 H 1 1.319 0.020 . 1 . . . . . 28 ALA HB . 51891 1 9 . 1 . 1 2 2 ALA HB2 H 1 1.319 0.020 . 1 . . . . . 28 ALA HB . 51891 1 10 . 1 . 1 2 2 ALA HB3 H 1 1.319 0.020 . 1 . . . . . 28 ALA HB . 51891 1 11 . 1 . 1 2 2 ALA C C 13 174.859 0.3 . 1 . . . . . 28 ALA C . 51891 1 12 . 1 . 1 2 2 ALA CA C 13 52.335 0.3 . 1 . . . . . 28 ALA CA . 51891 1 13 . 1 . 1 2 2 ALA CB C 13 19.218 0.3 . 1 . . . . . 28 ALA CB . 51891 1 14 . 1 . 1 2 2 ALA N N 15 127.761 0.3 . 1 . . . . . 28 ALA N . 51891 1 15 . 1 . 1 3 3 SER H H 1 8.357 0.020 . 1 . . . . . 29 SER H . 51891 1 16 . 1 . 1 3 3 SER HA H 1 4.370 0.020 . 1 . . . . . 29 SER HA . 51891 1 17 . 1 . 1 3 3 SER HB2 H 1 3.775 0.020 . 2 . . . . . 29 SER HB2 . 51891 1 18 . 1 . 1 3 3 SER HB3 H 1 3.825 0.020 . 2 . . . . . 29 SER HB3 . 51891 1 19 . 1 . 1 3 3 SER C C 13 177.816 0.3 . 1 . . . . . 29 SER C . 51891 1 20 . 1 . 1 3 3 SER CA C 13 57.901 0.3 . 1 . . . . . 29 SER CA . 51891 1 21 . 1 . 1 3 3 SER CB C 13 63.816 0.3 . 1 . . . . . 29 SER CB . 51891 1 22 . 1 . 1 3 3 SER N N 15 117.208 0.3 . 1 . . . . . 29 SER N . 51891 1 23 . 1 . 1 4 4 LYS H H 1 8.324 0.020 . 1 . . . . . 30 LYS H . 51891 1 24 . 1 . 1 4 4 LYS HA H 1 4.209 0.020 . 1 . . . . . 30 LYS HA . 51891 1 25 . 1 . 1 4 4 LYS C C 13 175.539 0.3 . 1 . . . . . 30 LYS C . 51891 1 26 . 1 . 1 4 4 LYS CA C 13 56.242 0.3 . 1 . . . . . 30 LYS CA . 51891 1 27 . 1 . 1 4 4 LYS CB C 13 32.647 0.3 . 1 . . . . . 30 LYS CB . 51891 1 28 . 1 . 1 4 4 LYS N N 15 124.214 0.3 . 1 . . . . . 30 LYS N . 51891 1 29 . 1 . 1 5 5 ARG H H 1 8.271 0.020 . 1 . . . . . 31 ARG H . 51891 1 30 . 1 . 1 5 5 ARG HA H 1 4.238 0.020 . 1 . . . . . 31 ARG HA . 51891 1 31 . 1 . 1 5 5 ARG HB2 H 1 1.736 0.020 . 2 . . . . . 31 ARG HB2 . 51891 1 32 . 1 . 1 5 5 ARG HB3 H 1 1.763 0.020 . 2 . . . . . 31 ARG HB3 . 51891 1 33 . 1 . 1 5 5 ARG C C 13 175.573 0.3 . 1 . . . . . 31 ARG C . 51891 1 34 . 1 . 1 5 5 ARG CA C 13 56.465 0.3 . 1 . . . . . 31 ARG CA . 51891 1 35 . 1 . 1 5 5 ARG CB C 13 30.459 0.3 . 1 . . . . . 31 ARG CB . 51891 1 36 . 1 . 1 5 5 ARG CG C 13 30.459 0.3 . 1 . . . . . 31 ARG CG . 51891 1 37 . 1 . 1 5 5 ARG N N 15 122.749 0.3 . 1 . . . . . 31 ARG N . 51891 1 38 . 1 . 1 6 6 THR H H 1 8.025 0.020 . 1 . . . . . 32 THR H . 51891 1 39 . 1 . 1 6 6 THR HA H 1 4.154 0.020 . 1 . . . . . 32 THR HA . 51891 1 40 . 1 . 1 6 6 THR HB H 1 4.109 0.020 . 1 . . . . . 32 THR HB . 51891 1 41 . 1 . 1 6 6 THR HG21 H 1 1.107 0.020 . 1 . . . . . 32 THR HG2 . 51891 1 42 . 1 . 1 6 6 THR HG22 H 1 1.107 0.020 . 1 . . . . . 32 THR HG2 . 51891 1 43 . 1 . 1 6 6 THR HG23 H 1 1.107 0.020 . 1 . . . . . 32 THR HG2 . 51891 1 44 . 1 . 1 6 6 THR C C 13 177.850 0.3 . 1 . . . . . 32 THR C . 51891 1 45 . 1 . 1 6 6 THR CA C 13 62.349 0.3 . 1 . . . . . 32 THR CA . 51891 1 46 . 1 . 1 6 6 THR CB C 13 69.419 0.3 . 1 . . . . . 32 THR CB . 51891 1 47 . 1 . 1 6 6 THR CG2 C 13 21.639 0.3 . 1 . . . . . 32 THR CG2 . 51891 1 48 . 1 . 1 6 6 THR N N 15 116.595 0.3 . 1 . . . . . 32 THR N . 51891 1 49 . 1 . 1 7 7 GLN H H 1 8.239 0.020 . 1 . . . . . 33 GLN H . 51891 1 50 . 1 . 1 7 7 GLN HA H 1 4.227 0.020 . 1 . . . . . 33 GLN HA . 51891 1 51 . 1 . 1 7 7 GLN HB2 H 1 1.904 0.020 . 2 . . . . . 33 GLN HB2 . 51891 1 52 . 1 . 1 7 7 GLN HB3 H 1 2.002 0.020 . 2 . . . . . 33 GLN HB3 . 51891 1 53 . 1 . 1 7 7 GLN HG2 H 1 2.128 0.020 . 2 . . . . . 33 GLN HG2 . 51891 1 54 . 1 . 1 7 7 GLN HG3 H 1 2.198 0.020 . 2 . . . . . 33 GLN HG3 . 51891 1 55 . 1 . 1 7 7 GLN C C 13 176.321 0.3 . 1 . . . . . 33 GLN C . 51891 1 56 . 1 . 1 7 7 GLN CA C 13 56.005 0.3 . 1 . . . . . 33 GLN CA . 51891 1 57 . 1 . 1 7 7 GLN CB C 13 29.176 0.3 . 1 . . . . . 33 GLN CB . 51891 1 58 . 1 . 1 7 7 GLN CG C 13 33.859 0.3 . 1 . . . . . 33 GLN CG . 51891 1 59 . 1 . 1 7 7 GLN N N 15 123.420 0.3 . 1 . . . . . 33 GLN N . 51891 1 60 . 1 . 1 8 8 LEU H H 1 8.158 0.020 . 1 . . . . . 34 LEU H . 51891 1 61 . 1 . 1 8 8 LEU HA H 1 4.207 0.020 . 1 . . . . . 34 LEU HA . 51891 1 62 . 1 . 1 8 8 LEU HB2 H 1 1.463 0.020 . 1 . . . . . 34 LEU HB2 . 51891 1 63 . 1 . 1 8 8 LEU HB3 H 1 1.463 0.020 . 1 . . . . . 34 LEU HB3 . 51891 1 64 . 1 . 1 8 8 LEU C C 13 174.706 0.3 . 1 . . . . . 34 LEU C . 51891 1 65 . 1 . 1 8 8 LEU CA C 13 55.349 0.3 . 1 . . . . . 34 LEU CA . 51891 1 66 . 1 . 1 8 8 LEU CB C 13 41.946 0.3 . 1 . . . . . 34 LEU CB . 51891 1 67 . 1 . 1 8 8 LEU CD1 C 13 23.502 0.3 . 1 . . . . . 34 LEU CD1 . 51891 1 68 . 1 . 1 8 8 LEU CD2 C 13 26.322 0.3 . 1 . . . . . 34 LEU CD2 . 51891 1 69 . 1 . 1 8 8 LEU N N 15 124.066 0.3 . 1 . . . . . 34 LEU N . 51891 1 70 . 1 . 1 9 9 ARG H H 1 8.179 0.020 . 1 . . . . . 35 ARG H . 51891 1 71 . 1 . 1 9 9 ARG HA H 1 4.158 0.020 . 1 . . . . . 35 ARG HA . 51891 1 72 . 1 . 1 9 9 ARG HB2 H 1 1.716 0.020 . 1 . . . . . 35 ARG HB2 . 51891 1 73 . 1 . 1 9 9 ARG HB3 H 1 1.716 0.020 . 1 . . . . . 35 ARG HB3 . 51891 1 74 . 1 . 1 9 9 ARG C C 13 175.964 0.3 . 1 . . . . . 35 ARG C . 51891 1 75 . 1 . 1 9 9 ARG CA C 13 56.498 0.3 . 1 . . . . . 35 ARG CA . 51891 1 76 . 1 . 1 9 9 ARG CB C 13 30.147 0.3 . 1 . . . . . 35 ARG CB . 51891 1 77 . 1 . 1 9 9 ARG N N 15 121.980 0.3 . 1 . . . . . 35 ARG N . 51891 1 78 . 1 . 1 10 10 ASN H H 1 8.270 0.020 . 1 . . . . . 36 ASN H . 51891 1 79 . 1 . 1 10 10 ASN HA H 1 4.519 0.020 . 1 . . . . . 36 ASN HA . 51891 1 80 . 1 . 1 10 10 ASN HB2 H 1 2.705 0.020 . 2 . . . . . 36 ASN HB2 . 51891 1 81 . 1 . 1 10 10 ASN HB3 H 1 2.714 0.020 . 2 . . . . . 36 ASN HB3 . 51891 1 82 . 1 . 1 10 10 ASN C C 13 176.745 0.3 . 1 . . . . . 36 ASN C . 51891 1 83 . 1 . 1 10 10 ASN CA C 13 53.631 0.3 . 1 . . . . . 36 ASN CA . 51891 1 84 . 1 . 1 10 10 ASN CB C 13 38.498 0.3 . 1 . . . . . 36 ASN CB . 51891 1 85 . 1 . 1 10 10 ASN N N 15 119.910 0.3 . 1 . . . . . 36 ASN N . 51891 1 86 . 1 . 1 11 11 GLU H H 1 8.255 0.020 . 1 . . . . . 37 GLU H . 51891 1 87 . 1 . 1 11 11 GLU HA H 1 4.128 0.020 . 1 . . . . . 37 GLU HA . 51891 1 88 . 1 . 1 11 11 GLU HB2 H 1 1.880 0.020 . 1 . . . . . 37 GLU HB2 . 51891 1 89 . 1 . 1 11 11 GLU HB3 H 1 1.880 0.020 . 1 . . . . . 37 GLU HB3 . 51891 1 90 . 1 . 1 11 11 GLU C C 13 175.726 0.3 . 1 . . . . . 37 GLU C . 51891 1 91 . 1 . 1 11 11 GLU CA C 13 56.909 0.3 . 1 . . . . . 37 GLU CA . 51891 1 92 . 1 . 1 11 11 GLU CB C 13 29.764 0.3 . 1 . . . . . 37 GLU CB . 51891 1 93 . 1 . 1 11 11 GLU N N 15 121.437 0.3 . 1 . . . . . 37 GLU N . 51891 1 94 . 1 . 1 12 12 LEU H H 1 7.982 0.020 . 1 . . . . . 38 LEU H . 51891 1 95 . 1 . 1 12 12 LEU HA H 1 4.197 0.020 . 1 . . . . . 38 LEU HA . 51891 1 96 . 1 . 1 12 12 LEU HB2 H 1 1.595 0.020 . 1 . . . . . 38 LEU HB2 . 51891 1 97 . 1 . 1 12 12 LEU HB3 H 1 1.595 0.020 . 1 . . . . . 38 LEU HB3 . 51891 1 98 . 1 . 1 12 12 LEU HD11 H 1 0.760 0.020 . 2 . . . . . 38 LEU HD1 . 51891 1 99 . 1 . 1 12 12 LEU HD12 H 1 0.760 0.020 . 2 . . . . . 38 LEU HD1 . 51891 1 100 . 1 . 1 12 12 LEU HD13 H 1 0.760 0.020 . 2 . . . . . 38 LEU HD1 . 51891 1 101 . 1 . 1 12 12 LEU HD21 H 1 0.818 0.020 . 2 . . . . . 38 LEU HD2 . 51891 1 102 . 1 . 1 12 12 LEU HD22 H 1 0.818 0.020 . 2 . . . . . 38 LEU HD2 . 51891 1 103 . 1 . 1 12 12 LEU HD23 H 1 0.818 0.020 . 2 . . . . . 38 LEU HD2 . 51891 1 104 . 1 . 1 12 12 LEU C C 13 174.740 0.3 . 1 . . . . . 38 LEU C . 51891 1 105 . 1 . 1 12 12 LEU CA C 13 55.429 0.3 . 1 . . . . . 38 LEU CA . 51891 1 106 . 1 . 1 12 12 LEU CB C 13 41.946 0.3 . 1 . . . . . 38 LEU CB . 51891 1 107 . 1 . 1 12 12 LEU CD1 C 13 23.391 0.3 . 1 . . . . . 38 LEU CD1 . 51891 1 108 . 1 . 1 12 12 LEU CD2 C 13 24.921 0.3 . 1 . . . . . 38 LEU CD2 . 51891 1 109 . 1 . 1 12 12 LEU N N 15 122.517 0.3 . 1 . . . . . 38 LEU N . 51891 1 110 . 1 . 1 13 13 ILE H H 1 7.796 0.020 . 1 . . . . . 39 ILE H . 51891 1 111 . 1 . 1 13 13 ILE HA H 1 4.009 0.020 . 1 . . . . . 39 ILE HA . 51891 1 112 . 1 . 1 13 13 ILE HB H 1 1.777 0.020 . 1 . . . . . 39 ILE HB . 51891 1 113 . 1 . 1 13 13 ILE HG21 H 1 0.787 0.020 . 1 . . . . . 39 ILE HG2 . 51891 1 114 . 1 . 1 13 13 ILE HG22 H 1 0.787 0.020 . 1 . . . . . 39 ILE HG2 . 51891 1 115 . 1 . 1 13 13 ILE HG23 H 1 0.787 0.020 . 1 . . . . . 39 ILE HG2 . 51891 1 116 . 1 . 1 13 13 ILE HD11 H 1 0.749 0.020 . 1 . . . . . 39 ILE HD1 . 51891 1 117 . 1 . 1 13 13 ILE HD12 H 1 0.749 0.020 . 1 . . . . . 39 ILE HD1 . 51891 1 118 . 1 . 1 13 13 ILE HD13 H 1 0.749 0.020 . 1 . . . . . 39 ILE HD1 . 51891 1 119 . 1 . 1 13 13 ILE C C 13 175.981 0.3 . 1 . . . . . 39 ILE C . 51891 1 120 . 1 . 1 13 13 ILE CA C 13 61.119 0.3 . 1 . . . . . 39 ILE CA . 51891 1 121 . 1 . 1 13 13 ILE CB C 13 38.269 0.3 . 1 . . . . . 39 ILE CB . 51891 1 122 . 1 . 1 13 13 ILE CG2 C 13 17.316 0.3 . 1 . . . . . 39 ILE CG2 . 51891 1 123 . 1 . 1 13 13 ILE CD1 C 13 12.750 0.3 . 1 . . . . . 39 ILE CD1 . 51891 1 124 . 1 . 1 13 13 ILE N N 15 121.674 0.3 . 1 . . . . . 39 ILE N . 51891 1 125 . 1 . 1 14 14 LYS H H 1 8.136 0.020 . 1 . . . . . 40 LYS H . 51891 1 126 . 1 . 1 14 14 LYS HA H 1 4.209 0.020 . 1 . . . . . 40 LYS HA . 51891 1 127 . 1 . 1 14 14 LYS HB2 H 1 1.615 0.020 . 1 . . . . . 40 LYS HB2 . 51891 1 128 . 1 . 1 14 14 LYS HB3 H 1 1.615 0.020 . 1 . . . . . 40 LYS HB3 . 51891 1 129 . 1 . 1 14 14 LYS C C 13 175.947 0.3 . 1 . . . . . 40 LYS C . 51891 1 130 . 1 . 1 14 14 LYS CA C 13 56.286 0.3 . 1 . . . . . 40 LYS CA . 51891 1 131 . 1 . 1 14 14 LYS CB C 13 32.713 0.3 . 1 . . . . . 40 LYS CB . 51891 1 132 . 1 . 1 14 14 LYS N N 15 125.724 0.3 . 1 . . . . . 40 LYS N . 51891 1 133 . 1 . 1 15 15 GLN H H 1 8.196 0.020 . 1 . . . . . 41 GLN H . 51891 1 134 . 1 . 1 15 15 GLN HA H 1 4.254 0.020 . 1 . . . . . 41 GLN HA . 51891 1 135 . 1 . 1 15 15 GLN HB2 H 1 1.954 0.020 . 1 . . . . . 41 GLN HB2 . 51891 1 136 . 1 . 1 15 15 GLN HB3 H 1 1.954 0.020 . 1 . . . . . 41 GLN HB3 . 51891 1 137 . 1 . 1 15 15 GLN C C 13 176.371 0.3 . 1 . . . . . 41 GLN C . 51891 1 138 . 1 . 1 15 15 GLN CA C 13 55.448 0.3 . 1 . . . . . 41 GLN CA . 51891 1 139 . 1 . 1 15 15 GLN CB C 13 29.555 0.3 . 1 . . . . . 41 GLN CB . 51891 1 140 . 1 . 1 15 15 GLN N N 15 121.902 0.3 . 1 . . . . . 41 GLN N . 51891 1 141 . 1 . 1 16 16 GLY H H 1 8.063 0.020 . 1 . . . . . 42 GLY H . 51891 1 142 . 1 . 1 16 16 GLY HA2 H 1 3.606 0.020 . 1 . . . . . 42 GLY HA2 . 51891 1 143 . 1 . 1 16 16 GLY CA C 13 44.076 0.3 . 1 . . . . . 42 GLY CA . 51891 1 144 . 1 . 1 16 16 GLY N N 15 110.797 0.3 . 1 . . . . . 42 GLY N . 51891 1 145 . 1 . 1 17 17 PRO HA H 1 4.325 0.020 . 1 . . . . . 43 PRO HA . 51891 1 146 . 1 . 1 17 17 PRO HB2 H 1 1.838 0.020 . 1 . . . . . 43 PRO HB2 . 51891 1 147 . 1 . 1 17 17 PRO HB3 H 1 1.838 0.020 . 1 . . . . . 43 PRO HB3 . 51891 1 148 . 1 . 1 17 17 PRO C C 13 175.709 0.3 . 1 . . . . . 43 PRO C . 51891 1 149 . 1 . 1 17 17 PRO CA C 13 62.618 0.3 . 1 . . . . . 43 PRO CA . 51891 1 150 . 1 . 1 17 17 PRO CB C 13 31.935 0.3 . 1 . . . . . 43 PRO CB . 51891 1 151 . 1 . 1 18 18 LYS H H 1 8.346 0.020 . 1 . . . . . 44 LYS H . 51891 1 152 . 1 . 1 18 18 LYS HA H 1 4.216 0.020 . 1 . . . . . 44 LYS HA . 51891 1 153 . 1 . 1 18 18 LYS HB2 H 1 1.602 0.020 . 1 . . . . . 44 LYS HB2 . 51891 1 154 . 1 . 1 18 18 LYS HB3 H 1 1.602 0.020 . 1 . . . . . 44 LYS HB3 . 51891 1 155 . 1 . 1 18 18 LYS C C 13 176.422 0.3 . 1 . . . . . 44 LYS C . 51891 1 156 . 1 . 1 18 18 LYS CA C 13 55.386 0.3 . 1 . . . . . 44 LYS CA . 51891 1 157 . 1 . 1 18 18 LYS CB C 13 32.953 0.3 . 1 . . . . . 44 LYS CB . 51891 1 158 . 1 . 1 18 18 LYS N N 15 122.520 0.3 . 1 . . . . . 44 LYS N . 51891 1 159 . 1 . 1 19 19 ARG H H 1 8.174 0.020 . 1 . . . . . 45 ARG H . 51891 1 160 . 1 . 1 19 19 ARG CA C 13 53.888 0.3 . 1 . . . . . 45 ARG CA . 51891 1 161 . 1 . 1 19 19 ARG CB C 13 29.686 0.3 . 1 . . . . . 45 ARG CB . 51891 1 162 . 1 . 1 19 19 ARG N N 15 125.190 0.3 . 1 . . . . . 45 ARG N . 51891 1 163 . 1 . 1 20 20 PRO C C 13 175.675 0.3 . 1 . . . . . 46 PRO C . 51891 1 164 . 1 . 1 20 20 PRO CA C 13 62.393 0.3 . 1 . . . . . 46 PRO CA . 51891 1 165 . 1 . 1 20 20 PRO CB C 13 31.883 0.3 . 1 . . . . . 46 PRO CB . 51891 1 166 . 1 . 1 21 21 THR H H 1 7.822 0.020 . 1 . . . . . 47 THR H . 51891 1 167 . 1 . 1 21 21 THR HG21 H 1 1.107 0.020 . 1 . . . . . 47 THR HG2 . 51891 1 168 . 1 . 1 21 21 THR HG22 H 1 1.107 0.020 . 1 . . . . . 47 THR HG2 . 51891 1 169 . 1 . 1 21 21 THR HG23 H 1 1.107 0.020 . 1 . . . . . 47 THR HG2 . 51891 1 170 . 1 . 1 21 21 THR C C 13 178.748 0.3 . 1 . . . . . 47 THR C . 51891 1 171 . 1 . 1 21 21 THR CA C 13 61.044 0.3 . 1 . . . . . 47 THR CA . 51891 1 172 . 1 . 1 21 21 THR CB C 13 69.686 0.3 . 1 . . . . . 47 THR CB . 51891 1 173 . 1 . 1 21 21 THR CG2 C 13 21.485 0.3 . 1 . . . . . 47 THR CG2 . 51891 1 174 . 1 . 1 21 21 THR N N 15 115.033 0.3 . 1 . . . . . 47 THR N . 51891 1 175 . 1 . 1 22 22 SER H H 1 8.032 0.020 . 1 . . . . . 48 SER H . 51891 1 176 . 1 . 1 22 22 SER C C 13 177.867 0.3 . 1 . . . . . 48 SER C . 51891 1 177 . 1 . 1 22 22 SER CA C 13 57.119 0.3 . 1 . . . . . 48 SER CA . 51891 1 178 . 1 . 1 22 22 SER CB C 13 65.102 0.3 . 1 . . . . . 48 SER CB . 51891 1 179 . 1 . 1 22 22 SER N N 15 116.583 0.3 . 1 . . . . . 48 SER N . 51891 1 180 . 1 . 1 23 23 ALA H H 1 8.907 0.020 . 1 . . . . . 49 ALA H . 51891 1 181 . 1 . 1 23 23 ALA HA H 1 3.749 0.020 . 1 . . . . . 49 ALA HA . 51891 1 182 . 1 . 1 23 23 ALA HB1 H 1 1.558 0.020 . 1 . . . . . 49 ALA HB . 51891 1 183 . 1 . 1 23 23 ALA HB2 H 1 1.558 0.020 . 1 . . . . . 49 ALA HB . 51891 1 184 . 1 . 1 23 23 ALA HB3 H 1 1.558 0.020 . 1 . . . . . 49 ALA HB . 51891 1 185 . 1 . 1 23 23 ALA C C 13 174.485 0.3 . 1 . . . . . 49 ALA C . 51891 1 186 . 1 . 1 23 23 ALA CA C 13 55.466 0.3 . 1 . . . . . 49 ALA CA . 51891 1 187 . 1 . 1 23 23 ALA CB C 13 18.589 0.3 . 1 . . . . . 49 ALA CB . 51891 1 188 . 1 . 1 23 23 ALA N N 15 125.182 0.3 . 1 . . . . . 49 ALA N . 51891 1 189 . 1 . 1 24 24 TYR H H 1 7.761 0.020 . 1 . . . . . 50 TYR H . 51891 1 190 . 1 . 1 24 24 TYR CA C 13 58.983 0.3 . 1 . . . . . 50 TYR CA . 51891 1 191 . 1 . 1 24 24 TYR CB C 13 36.780 0.3 . 1 . . . . . 50 TYR CB . 51891 1 192 . 1 . 1 24 24 TYR N N 15 117.670 0.3 . 1 . . . . . 50 TYR N . 51891 1 193 . 1 . 1 25 25 PHE H H 1 7.409 0.020 . 1 . . . . . 51 PHE H . 51891 1 194 . 1 . 1 25 25 PHE HA H 1 3.018 0.020 . 1 . . . . . 51 PHE HA . 51891 1 195 . 1 . 1 25 25 PHE C C 13 173.755 0.3 . 1 . . . . . 51 PHE C . 51891 1 196 . 1 . 1 25 25 PHE CA C 13 61.210 0.3 . 1 . . . . . 51 PHE CA . 51891 1 197 . 1 . 1 25 25 PHE CB C 13 37.709 0.3 . 1 . . . . . 51 PHE CB . 51891 1 198 . 1 . 1 25 25 PHE N N 15 123.432 0.3 . 1 . . . . . 51 PHE N . 51891 1 199 . 1 . 1 26 26 LEU H H 1 7.541 0.020 . 1 . . . . . 52 LEU H . 51891 1 200 . 1 . 1 26 26 LEU HD11 H 1 0.791 0.020 . 2 . . . . . 52 LEU HD1 . 51891 1 201 . 1 . 1 26 26 LEU HD12 H 1 0.791 0.020 . 2 . . . . . 52 LEU HD1 . 51891 1 202 . 1 . 1 26 26 LEU HD13 H 1 0.791 0.020 . 2 . . . . . 52 LEU HD1 . 51891 1 203 . 1 . 1 26 26 LEU HD21 H 1 0.922 0.020 . 2 . . . . . 52 LEU HD2 . 51891 1 204 . 1 . 1 26 26 LEU HD22 H 1 0.922 0.020 . 2 . . . . . 52 LEU HD2 . 51891 1 205 . 1 . 1 26 26 LEU HD23 H 1 0.922 0.020 . 2 . . . . . 52 LEU HD2 . 51891 1 206 . 1 . 1 26 26 LEU C C 13 176.038 0.3 . 1 . . . . . 52 LEU C . 51891 1 207 . 1 . 1 26 26 LEU CA C 13 57.672 0.3 . 1 . . . . . 52 LEU CA . 51891 1 208 . 1 . 1 26 26 LEU CB C 13 41.144 0.3 . 1 . . . . . 52 LEU CB . 51891 1 209 . 1 . 1 26 26 LEU CD1 C 13 22.228 0.3 . 1 . . . . . 52 LEU CD1 . 51891 1 210 . 1 . 1 26 26 LEU CD2 C 13 25.617 0.3 . 1 . . . . . 52 LEU CD2 . 51891 1 211 . 1 . 1 26 26 LEU N N 15 121.088 0.3 . 1 . . . . . 52 LEU N . 51891 1 212 . 1 . 1 27 27 TYR H H 1 7.881 0.020 . 1 . . . . . 53 TYR H . 51891 1 213 . 1 . 1 27 27 TYR C C 13 176.097 0.3 . 1 . . . . . 53 TYR C . 51891 1 214 . 1 . 1 27 27 TYR CA C 13 57.465 0.3 . 1 . . . . . 53 TYR CA . 51891 1 215 . 1 . 1 27 27 TYR CB C 13 39.187 0.3 . 1 . . . . . 53 TYR CB . 51891 1 216 . 1 . 1 27 27 TYR N N 15 119.837 0.3 . 1 . . . . . 53 TYR N . 51891 1 217 . 1 . 1 28 28 LEU H H 1 7.926 0.020 . 1 . . . . . 54 LEU H . 51891 1 218 . 1 . 1 28 28 LEU C C 13 173.891 0.3 . 1 . . . . . 54 LEU C . 51891 1 219 . 1 . 1 28 28 LEU CA C 13 57.251 0.3 . 1 . . . . . 54 LEU CA . 51891 1 220 . 1 . 1 28 28 LEU CB C 13 39.381 0.3 . 1 . . . . . 54 LEU CB . 51891 1 221 . 1 . 1 28 28 LEU N N 15 119.999 0.3 . 1 . . . . . 54 LEU N . 51891 1 222 . 1 . 1 29 29 GLN H H 1 7.944 0.020 . 1 . . . . . 55 GLN H . 51891 1 223 . 1 . 1 29 29 GLN CA C 13 58.534 0.3 . 1 . . . . . 55 GLN CA . 51891 1 224 . 1 . 1 29 29 GLN CB C 13 27.796 0.3 . 1 . . . . . 55 GLN CB . 51891 1 225 . 1 . 1 29 29 GLN N N 15 118.397 0.3 . 1 . . . . . 55 GLN N . 51891 1 226 . 1 . 1 30 30 ASP C C 13 175.462 0.3 . 1 . . . . . 56 ASP C . 51891 1 227 . 1 . 1 31 31 HIS H H 1 7.925 0.020 . 1 . . . . . 57 HIS H . 51891 1 228 . 1 . 1 31 31 HIS C C 13 175.454 0.3 . 1 . . . . . 57 HIS C . 51891 1 229 . 1 . 1 31 31 HIS CA C 13 56.192 0.3 . 1 . . . . . 57 HIS CA . 51891 1 230 . 1 . 1 31 31 HIS CB C 13 32.237 0.3 . 1 . . . . . 57 HIS CB . 51891 1 231 . 1 . 1 31 31 HIS N N 15 122.254 0.3 . 1 . . . . . 57 HIS N . 51891 1 232 . 1 . 1 32 32 ARG H H 1 7.937 0.020 . 1 . . . . . 58 ARG H . 51891 1 233 . 1 . 1 32 32 ARG HA H 1 4.109 0.020 . 1 . . . . . 58 ARG HA . 51891 1 234 . 1 . 1 32 32 ARG HB2 H 1 1.695 0.020 . 1 . . . . . 58 ARG HB2 . 51891 1 235 . 1 . 1 32 32 ARG HB3 H 1 1.695 0.020 . 1 . . . . . 58 ARG HB3 . 51891 1 236 . 1 . 1 32 32 ARG C C 13 174.876 0.3 . 1 . . . . . 58 ARG C . 51891 1 237 . 1 . 1 32 32 ARG CA C 13 56.772 0.3 . 1 . . . . . 58 ARG CA . 51891 1 238 . 1 . 1 32 32 ARG CB C 13 29.655 0.3 . 1 . . . . . 58 ARG CB . 51891 1 239 . 1 . 1 32 32 ARG N N 15 120.966 0.3 . 1 . . . . . 58 ARG N . 51891 1 240 . 1 . 1 33 33 SER H H 1 8.637 0.020 . 1 . . . . . 59 SER H . 51891 1 241 . 1 . 1 33 33 SER C C 13 174.282 0.3 . 1 . . . . . 59 SER C . 51891 1 242 . 1 . 1 33 33 SER CA C 13 61.863 0.3 . 1 . . . . . 59 SER CA . 51891 1 243 . 1 . 1 33 33 SER CB C 13 66.175 0.3 . 1 . . . . . 59 SER CB . 51891 1 244 . 1 . 1 33 33 SER N N 15 116.922 0.3 . 1 . . . . . 59 SER N . 51891 1 245 . 1 . 1 34 34 GLN H H 1 7.681 0.020 . 1 . . . . . 60 GLN H . 51891 1 246 . 1 . 1 34 34 GLN CA C 13 58.196 0.3 . 1 . . . . . 60 GLN CA . 51891 1 247 . 1 . 1 34 34 GLN CB C 13 28.003 0.3 . 1 . . . . . 60 GLN CB . 51891 1 248 . 1 . 1 34 34 GLN N N 15 117.121 0.3 . 1 . . . . . 60 GLN N . 51891 1 249 . 1 . 1 35 35 PHE H H 1 8.741 0.020 . 1 . . . . . 61 PHE H . 51891 1 250 . 1 . 1 35 35 PHE CA C 13 58.234 0.3 . 1 . . . . . 61 PHE CA . 51891 1 251 . 1 . 1 35 35 PHE CB C 13 37.706 0.3 . 1 . . . . . 61 PHE CB . 51891 1 252 . 1 . 1 35 35 PHE N N 15 121.807 0.3 . 1 . . . . . 61 PHE N . 51891 1 253 . 1 . 1 36 36 VAL H H 1 8.217 0.020 . 1 . . . . . 62 VAL H . 51891 1 254 . 1 . 1 36 36 VAL HG11 H 1 0.854 0.020 . 2 . . . . . 62 VAL HG1 . 51891 1 255 . 1 . 1 36 36 VAL HG12 H 1 0.854 0.020 . 2 . . . . . 62 VAL HG1 . 51891 1 256 . 1 . 1 36 36 VAL HG13 H 1 0.854 0.020 . 2 . . . . . 62 VAL HG1 . 51891 1 257 . 1 . 1 36 36 VAL HG21 H 1 0.992 0.020 . 2 . . . . . 62 VAL HG2 . 51891 1 258 . 1 . 1 36 36 VAL HG22 H 1 0.992 0.020 . 2 . . . . . 62 VAL HG2 . 51891 1 259 . 1 . 1 36 36 VAL HG23 H 1 0.992 0.020 . 2 . . . . . 62 VAL HG2 . 51891 1 260 . 1 . 1 36 36 VAL C C 13 175.879 0.3 . 1 . . . . . 62 VAL C . 51891 1 261 . 1 . 1 36 36 VAL CA C 13 65.885 0.3 . 1 . . . . . 62 VAL CA . 51891 1 262 . 1 . 1 36 36 VAL CB C 13 33.383 0.3 . 1 . . . . . 62 VAL CB . 51891 1 263 . 1 . 1 36 36 VAL CG1 C 13 20.836 0.3 . 1 . . . . . 62 VAL CG1 . 51891 1 264 . 1 . 1 36 36 VAL CG2 C 13 23.196 0.3 . 1 . . . . . 62 VAL CG2 . 51891 1 265 . 1 . 1 36 36 VAL N N 15 120.353 0.3 . 1 . . . . . 62 VAL N . 51891 1 266 . 1 . 1 37 37 LYS H H 1 7.178 0.020 . 1 . . . . . 63 LYS H . 51891 1 267 . 1 . 1 37 37 LYS C C 13 175.506 0.3 . 1 . . . . . 63 LYS C . 51891 1 268 . 1 . 1 37 37 LYS CA C 13 59.283 0.3 . 1 . . . . . 63 LYS CA . 51891 1 269 . 1 . 1 37 37 LYS CB C 13 31.823 0.3 . 1 . . . . . 63 LYS CB . 51891 1 270 . 1 . 1 37 37 LYS N N 15 121.994 0.3 . 1 . . . . . 63 LYS N . 51891 1 271 . 1 . 1 38 38 GLU H H 1 7.558 0.020 . 1 . . . . . 64 GLU H . 51891 1 272 . 1 . 1 38 38 GLU CA C 13 58.877 0.3 . 1 . . . . . 64 GLU CA . 51891 1 273 . 1 . 1 38 38 GLU CB C 13 28.862 0.3 . 1 . . . . . 64 GLU CB . 51891 1 274 . 1 . 1 38 38 GLU N N 15 123.823 0.3 . 1 . . . . . 64 GLU N . 51891 1 275 . 1 . 1 39 39 ASN H H 1 7.285 0.020 . 1 . . . . . 65 ASN H . 51891 1 276 . 1 . 1 39 39 ASN CA C 13 50.823 0.3 . 1 . . . . . 65 ASN CA . 51891 1 277 . 1 . 1 39 39 ASN CB C 13 39.774 0.3 . 1 . . . . . 65 ASN CB . 51891 1 278 . 1 . 1 39 39 ASN N N 15 116.679 0.3 . 1 . . . . . 65 ASN N . 51891 1 279 . 1 . 1 40 40 PRO C C 13 174.333 0.3 . 1 . . . . . 66 PRO C . 51891 1 280 . 1 . 1 40 40 PRO CA C 13 64.836 0.3 . 1 . . . . . 66 PRO CA . 51891 1 281 . 1 . 1 40 40 PRO CB C 13 31.877 0.3 . 1 . . . . . 66 PRO CB . 51891 1 282 . 1 . 1 41 41 THR H H 1 7.910 0.020 . 1 . . . . . 67 THR H . 51891 1 283 . 1 . 1 41 41 THR HA H 1 4.434 0.020 . 1 . . . . . 67 THR HA . 51891 1 284 . 1 . 1 41 41 THR HG21 H 1 1.071 0.020 . 1 . . . . . 67 THR HG2 . 51891 1 285 . 1 . 1 41 41 THR HG22 H 1 1.071 0.020 . 1 . . . . . 67 THR HG2 . 51891 1 286 . 1 . 1 41 41 THR HG23 H 1 1.071 0.020 . 1 . . . . . 67 THR HG2 . 51891 1 287 . 1 . 1 41 41 THR C C 13 177.102 0.3 . 1 . . . . . 67 THR C . 51891 1 288 . 1 . 1 41 41 THR CA C 13 61.630 0.3 . 1 . . . . . 67 THR CA . 51891 1 289 . 1 . 1 41 41 THR CB C 13 68.981 0.3 . 1 . . . . . 67 THR CB . 51891 1 290 . 1 . 1 41 41 THR CG2 C 13 20.510 0.3 . 1 . . . . . 67 THR CG2 . 51891 1 291 . 1 . 1 41 41 THR N N 15 108.545 0.3 . 1 . . . . . 67 THR N . 51891 1 292 . 1 . 1 42 42 LEU H H 1 7.030 0.020 . 1 . . . . . 68 LEU H . 51891 1 293 . 1 . 1 42 42 LEU HD11 H 1 0.687 0.020 . 2 . . . . . 68 LEU HD1 . 51891 1 294 . 1 . 1 42 42 LEU HD12 H 1 0.687 0.020 . 2 . . . . . 68 LEU HD1 . 51891 1 295 . 1 . 1 42 42 LEU HD13 H 1 0.687 0.020 . 2 . . . . . 68 LEU HD1 . 51891 1 296 . 1 . 1 42 42 LEU HD21 H 1 0.703 0.020 . 2 . . . . . 68 LEU HD2 . 51891 1 297 . 1 . 1 42 42 LEU HD22 H 1 0.703 0.020 . 2 . . . . . 68 LEU HD2 . 51891 1 298 . 1 . 1 42 42 LEU HD23 H 1 0.703 0.020 . 2 . . . . . 68 LEU HD2 . 51891 1 299 . 1 . 1 42 42 LEU C C 13 174.876 0.3 . 1 . . . . . 68 LEU C . 51891 1 300 . 1 . 1 42 42 LEU CA C 13 54.673 0.3 . 1 . . . . . 68 LEU CA . 51891 1 301 . 1 . 1 42 42 LEU CB C 13 41.201 0.3 . 1 . . . . . 68 LEU CB . 51891 1 302 . 1 . 1 42 42 LEU CD1 C 13 22.096 0.3 . 1 . . . . . 68 LEU CD1 . 51891 1 303 . 1 . 1 42 42 LEU CD2 C 13 25.621 0.3 . 1 . . . . . 68 LEU CD2 . 51891 1 304 . 1 . 1 42 42 LEU N N 15 122.303 0.3 . 1 . . . . . 68 LEU N . 51891 1 305 . 1 . 1 43 43 ARG H H 1 9.072 0.020 . 1 . . . . . 69 ARG H . 51891 1 306 . 1 . 1 43 43 ARG CA C 13 54.487 0.3 . 1 . . . . . 69 ARG CA . 51891 1 307 . 1 . 1 43 43 ARG CB C 13 28.622 0.3 . 1 . . . . . 69 ARG CB . 51891 1 308 . 1 . 1 43 43 ARG N N 15 123.133 0.3 . 1 . . . . . 69 ARG N . 51891 1 309 . 1 . 1 45 45 ALA HA H 1 3.980 0.020 . 1 . . . . . 71 ALA HA . 51891 1 310 . 1 . 1 45 45 ALA C C 13 173.891 0.3 . 1 . . . . . 71 ALA C . 51891 1 311 . 1 . 1 45 45 ALA CA C 13 58.468 0.3 . 1 . . . . . 71 ALA CA . 51891 1 312 . 1 . 1 45 45 ALA CB C 13 18.278 0.3 . 1 . . . . . 71 ALA CB . 51891 1 313 . 1 . 1 46 46 GLU H H 1 7.312 0.020 . 1 . . . . . 72 GLU H . 51891 1 314 . 1 . 1 46 46 GLU C C 13 176.456 0.3 . 1 . . . . . 72 GLU C . 51891 1 315 . 1 . 1 46 46 GLU CA C 13 59.133 0.3 . 1 . . . . . 72 GLU CA . 51891 1 316 . 1 . 1 46 46 GLU CB C 13 31.514 0.3 . 1 . . . . . 72 GLU CB . 51891 1 317 . 1 . 1 46 46 GLU N N 15 120.405 0.3 . 1 . . . . . 72 GLU N . 51891 1 318 . 1 . 1 47 47 ILE H H 1 7.470 0.020 . 1 . . . . . 73 ILE H . 51891 1 319 . 1 . 1 47 47 ILE HB H 1 1.916 0.020 . 1 . . . . . 73 ILE HB . 51891 1 320 . 1 . 1 47 47 ILE HG21 H 1 0.957 0.020 . 1 . . . . . 73 ILE HG2 . 51891 1 321 . 1 . 1 47 47 ILE HG22 H 1 0.957 0.020 . 1 . . . . . 73 ILE HG2 . 51891 1 322 . 1 . 1 47 47 ILE HG23 H 1 0.957 0.020 . 1 . . . . . 73 ILE HG2 . 51891 1 323 . 1 . 1 47 47 ILE HD11 H 1 0.830 0.020 . 1 . . . . . 73 ILE HD1 . 51891 1 324 . 1 . 1 47 47 ILE HD12 H 1 0.830 0.020 . 1 . . . . . 73 ILE HD1 . 51891 1 325 . 1 . 1 47 47 ILE HD13 H 1 0.830 0.020 . 1 . . . . . 73 ILE HD1 . 51891 1 326 . 1 . 1 47 47 ILE C C 13 175.233 0.3 . 1 . . . . . 73 ILE C . 51891 1 327 . 1 . 1 47 47 ILE CA C 13 61.157 0.3 . 1 . . . . . 73 ILE CA . 51891 1 328 . 1 . 1 47 47 ILE CB C 13 38.045 0.3 . 1 . . . . . 73 ILE CB . 51891 1 329 . 1 . 1 47 47 ILE CG2 C 13 17.084 0.3 . 1 . . . . . 73 ILE CG2 . 51891 1 330 . 1 . 1 47 47 ILE CD1 C 13 13.229 0.3 . 1 . . . . . 73 ILE CD1 . 51891 1 331 . 1 . 1 47 47 ILE N N 15 119.037 0.3 . 1 . . . . . 73 ILE N . 51891 1 332 . 1 . 1 48 48 SER H H 1 8.219 0.020 . 1 . . . . . 74 SER H . 51891 1 333 . 1 . 1 48 48 SER C C 13 173.124 0.3 . 1 . . . . . 74 SER C . 51891 1 334 . 1 . 1 48 48 SER CA C 13 61.082 0.3 . 1 . . . . . 74 SER CA . 51891 1 335 . 1 . 1 48 48 SER CB C 13 62.661 0.3 . 1 . . . . . 74 SER CB . 51891 1 336 . 1 . 1 48 48 SER N N 15 116.635 0.3 . 1 . . . . . 74 SER N . 51891 1 337 . 1 . 1 49 49 LYS H H 1 7.779 0.020 . 1 . . . . . 75 LYS H . 51891 1 338 . 1 . 1 49 49 LYS C C 13 172.837 0.3 . 1 . . . . . 75 LYS C . 51891 1 339 . 1 . 1 49 49 LYS CA C 13 59.148 0.3 . 1 . . . . . 75 LYS CA . 51891 1 340 . 1 . 1 49 49 LYS CB C 13 32.255 0.3 . 1 . . . . . 75 LYS CB . 51891 1 341 . 1 . 1 49 49 LYS N N 15 121.782 0.3 . 1 . . . . . 75 LYS N . 51891 1 342 . 1 . 1 50 50 ILE H H 1 7.473 0.020 . 1 . . . . . 76 ILE H . 51891 1 343 . 1 . 1 50 50 ILE HB H 1 1.731 0.020 . 1 . . . . . 76 ILE HB . 51891 1 344 . 1 . 1 50 50 ILE HG21 H 1 0.490 0.020 . 1 . . . . . 76 ILE HG2 . 51891 1 345 . 1 . 1 50 50 ILE HG22 H 1 0.490 0.020 . 1 . . . . . 76 ILE HG2 . 51891 1 346 . 1 . 1 50 50 ILE HG23 H 1 0.490 0.020 . 1 . . . . . 76 ILE HG2 . 51891 1 347 . 1 . 1 50 50 ILE HD11 H 1 0.604 0.020 . 1 . . . . . 76 ILE HD1 . 51891 1 348 . 1 . 1 50 50 ILE HD12 H 1 0.604 0.020 . 1 . . . . . 76 ILE HD1 . 51891 1 349 . 1 . 1 50 50 ILE HD13 H 1 0.604 0.020 . 1 . . . . . 76 ILE HD1 . 51891 1 350 . 1 . 1 50 50 ILE CA C 13 64.154 0.3 . 1 . . . . . 76 ILE CA . 51891 1 351 . 1 . 1 50 50 ILE CB C 13 37.998 0.3 . 1 . . . . . 76 ILE CB . 51891 1 352 . 1 . 1 50 50 ILE CG2 C 13 16.540 0.3 . 1 . . . . . 76 ILE CG2 . 51891 1 353 . 1 . 1 50 50 ILE CD1 C 13 13.693 0.3 . 1 . . . . . 76 ILE CD1 . 51891 1 354 . 1 . 1 50 50 ILE N N 15 120.648 0.3 . 1 . . . . . 76 ILE N . 51891 1 355 . 1 . 1 51 51 ALA H H 1 8.289 0.020 . 1 . . . . . 77 ALA H . 51891 1 356 . 1 . 1 51 51 ALA HA H 1 4.000 0.020 . 1 . . . . . 77 ALA HA . 51891 1 357 . 1 . 1 51 51 ALA HB1 H 1 1.454 0.020 . 1 . . . . . 77 ALA HB . 51891 1 358 . 1 . 1 51 51 ALA HB2 H 1 1.454 0.020 . 1 . . . . . 77 ALA HB . 51891 1 359 . 1 . 1 51 51 ALA HB3 H 1 1.454 0.020 . 1 . . . . . 77 ALA HB . 51891 1 360 . 1 . 1 51 51 ALA C C 13 172.828 0.3 . 1 . . . . . 77 ALA C . 51891 1 361 . 1 . 1 51 51 ALA CA C 13 54.882 0.3 . 1 . . . . . 77 ALA CA . 51891 1 362 . 1 . 1 51 51 ALA CB C 13 19.655 0.3 . 1 . . . . . 77 ALA CB . 51891 1 363 . 1 . 1 51 51 ALA N N 15 123.628 0.3 . 1 . . . . . 77 ALA N . 51891 1 364 . 1 . 1 52 52 GLY H H 1 8.178 0.020 . 1 . . . . . 78 GLY H . 51891 1 365 . 1 . 1 52 52 GLY C C 13 173.857 0.3 . 1 . . . . . 78 GLY C . 51891 1 366 . 1 . 1 52 52 GLY CA C 13 47.150 0.3 . 1 . . . . . 78 GLY CA . 51891 1 367 . 1 . 1 52 52 GLY N N 15 106.50 0.3 . 1 . . . . . 78 GLY N . 51891 1 368 . 1 . 1 53 53 GLU H H 1 8.166 0.020 . 1 . . . . . 79 GLU H . 51891 1 369 . 1 . 1 53 53 GLU C C 13 175.309 0.3 . 1 . . . . . 79 GLU C . 51891 1 370 . 1 . 1 53 53 GLU CA C 13 58.921 0.3 . 1 . . . . . 79 GLU CA . 51891 1 371 . 1 . 1 53 53 GLU CB C 13 28.643 0.3 . 1 . . . . . 79 GLU CB . 51891 1 372 . 1 . 1 53 53 GLU N N 15 121.186 0.3 . 1 . . . . . 79 GLU N . 51891 1 373 . 1 . 1 54 54 LYS H H 1 8.002 0.020 . 1 . . . . . 80 LYS H . 51891 1 374 . 1 . 1 54 54 LYS C C 13 173.891 0.3 . 1 . . . . . 80 LYS C . 51891 1 375 . 1 . 1 54 54 LYS CA C 13 58.171 0.3 . 1 . . . . . 80 LYS CA . 51891 1 376 . 1 . 1 54 54 LYS CB C 13 29.329 0.3 . 1 . . . . . 80 LYS CB . 51891 1 377 . 1 . 1 54 54 LYS N N 15 121.886 0.3 . 1 . . . . . 80 LYS N . 51891 1 378 . 1 . 1 55 55 TRP H H 1 7.928 0.020 . 1 . . . . . 81 TRP H . 51891 1 379 . 1 . 1 55 55 TRP HA H 1 4.252 0.020 . 1 . . . . . 81 TRP HA . 51891 1 380 . 1 . 1 55 55 TRP HB2 H 1 3.018 0.020 . 1 . . . . . 81 TRP HB2 . 51891 1 381 . 1 . 1 55 55 TRP HB3 H 1 3.018 0.020 . 1 . . . . . 81 TRP HB3 . 51891 1 382 . 1 . 1 55 55 TRP C C 13 175.913 0.3 . 1 . . . . . 81 TRP C . 51891 1 383 . 1 . 1 55 55 TRP CA C 13 59.808 0.3 . 1 . . . . . 81 TRP CA . 51891 1 384 . 1 . 1 55 55 TRP CB C 13 37.929 0.3 . 1 . . . . . 81 TRP CB . 51891 1 385 . 1 . 1 55 55 TRP N N 15 122.651 0.3 . 1 . . . . . 81 TRP N . 51891 1 386 . 1 . 1 56 56 GLN H H 1 8.105 0.020 . 1 . . . . . 82 GLN H . 51891 1 387 . 1 . 1 56 56 GLN C C 13 174.469 0.3 . 1 . . . . . 82 GLN C . 51891 1 388 . 1 . 1 56 56 GLN CA C 13 57.859 0.3 . 1 . . . . . 82 GLN CA . 51891 1 389 . 1 . 1 56 56 GLN CB C 13 28.519 0.3 . 1 . . . . . 82 GLN CB . 51891 1 390 . 1 . 1 56 56 GLN N N 15 119.392 0.3 . 1 . . . . . 82 GLN N . 51891 1 391 . 1 . 1 57 57 ASN H H 1 7.686 0.020 . 1 . . . . . 83 ASN H . 51891 1 392 . 1 . 1 57 57 ASN CA C 13 58.459 0.3 . 1 . . . . . 83 ASN CA . 51891 1 393 . 1 . 1 57 57 ASN CB C 13 37.515 0.3 . 1 . . . . . 83 ASN CB . 51891 1 394 . 1 . 1 57 57 ASN N N 15 118.730 0.3 . 1 . . . . . 83 ASN N . 51891 1 395 . 1 . 1 58 58 LEU H H 1 6.722 0.020 . 1 . . . . . 84 LEU H . 51891 1 396 . 1 . 1 58 58 LEU C C 13 175.998 0.3 . 1 . . . . . 84 LEU C . 51891 1 397 . 1 . 1 58 58 LEU CA C 13 55.148 0.3 . 1 . . . . . 84 LEU CA . 51891 1 398 . 1 . 1 58 58 LEU CB C 13 43.388 0.3 . 1 . . . . . 84 LEU CB . 51891 1 399 . 1 . 1 58 58 LEU N N 15 124.698 0.3 . 1 . . . . . 84 LEU N . 51891 1 400 . 1 . 1 59 59 GLU H H 1 8.627 0.020 . 1 . . . . . 85 GLU H . 51891 1 401 . 1 . 1 59 59 GLU C C 13 174.485 0.3 . 1 . . . . . 85 GLU C . 51891 1 402 . 1 . 1 59 59 GLU CA C 13 57.328 0.3 . 1 . . . . . 85 GLU CA . 51891 1 403 . 1 . 1 59 59 GLU CB C 13 29.611 0.3 . 1 . . . . . 85 GLU CB . 51891 1 404 . 1 . 1 59 59 GLU N N 15 124.788 0.3 . 1 . . . . . 85 GLU N . 51891 1 405 . 1 . 1 60 60 ALA H H 1 8.553 0.020 . 1 . . . . . 86 ALA H . 51891 1 406 . 1 . 1 60 60 ALA HA H 1 3.956 0.020 . 1 . . . . . 86 ALA HA . 51891 1 407 . 1 . 1 60 60 ALA HB1 H 1 1.364 0.020 . 1 . . . . . 86 ALA HB . 51891 1 408 . 1 . 1 60 60 ALA HB2 H 1 1.364 0.020 . 1 . . . . . 86 ALA HB . 51891 1 409 . 1 . 1 60 60 ALA HB3 H 1 1.364 0.020 . 1 . . . . . 86 ALA HB . 51891 1 410 . 1 . 1 60 60 ALA CA C 13 55.766 0.3 . 1 . . . . . 86 ALA CA . 51891 1 411 . 1 . 1 60 60 ALA CB C 13 18.519 0.3 . 1 . . . . . 86 ALA CB . 51891 1 412 . 1 . 1 60 60 ALA N N 15 126.655 0.3 . 1 . . . . . 86 ALA N . 51891 1 413 . 1 . 1 61 61 ASP H H 1 8.720 0.020 . 1 . . . . . 87 ASP H . 51891 1 414 . 1 . 1 61 61 ASP HA H 1 4.231 0.020 . 1 . . . . . 87 ASP HA . 51891 1 415 . 1 . 1 61 61 ASP HB2 H 1 2.539 0.020 . 1 . . . . . 87 ASP HB2 . 51891 1 416 . 1 . 1 61 61 ASP HB3 H 1 2.539 0.020 . 1 . . . . . 87 ASP HB3 . 51891 1 417 . 1 . 1 61 61 ASP C C 13 174.112 0.3 . 1 . . . . . 87 ASP C . 51891 1 418 . 1 . 1 61 61 ASP CA C 13 56.319 0.3 . 1 . . . . . 87 ASP CA . 51891 1 419 . 1 . 1 61 61 ASP CB C 13 39.541 0.3 . 1 . . . . . 87 ASP CB . 51891 1 420 . 1 . 1 61 61 ASP N N 15 115.130 0.3 . 1 . . . . . 87 ASP N . 51891 1 421 . 1 . 1 62 62 ILE H H 1 7.173 0.020 . 1 . . . . . 88 ILE H . 51891 1 422 . 1 . 1 62 62 ILE HB H 1 1.932 0.020 . 1 . . . . . 88 ILE HB . 51891 1 423 . 1 . 1 62 62 ILE HG21 H 1 0.787 0.020 . 1 . . . . . 88 ILE HG2 . 51891 1 424 . 1 . 1 62 62 ILE HG22 H 1 0.787 0.020 . 1 . . . . . 88 ILE HG2 . 51891 1 425 . 1 . 1 62 62 ILE HG23 H 1 0.787 0.020 . 1 . . . . . 88 ILE HG2 . 51891 1 426 . 1 . 1 62 62 ILE HD11 H 1 0.870 0.020 . 1 . . . . . 88 ILE HD1 . 51891 1 427 . 1 . 1 62 62 ILE HD12 H 1 0.870 0.020 . 1 . . . . . 88 ILE HD1 . 51891 1 428 . 1 . 1 62 62 ILE HD13 H 1 0.870 0.020 . 1 . . . . . 88 ILE HD1 . 51891 1 429 . 1 . 1 62 62 ILE C C 13 174.248 0.3 . 1 . . . . . 88 ILE C . 51891 1 430 . 1 . 1 62 62 ILE CA C 13 62.939 0.3 . 1 . . . . . 88 ILE CA . 51891 1 431 . 1 . 1 62 62 ILE CB C 13 37.246 0.3 . 1 . . . . . 88 ILE CB . 51891 1 432 . 1 . 1 62 62 ILE CG2 C 13 17.389 0.3 . 1 . . . . . 88 ILE CG2 . 51891 1 433 . 1 . 1 62 62 ILE CD1 C 13 11.703 0.3 . 1 . . . . . 88 ILE CD1 . 51891 1 434 . 1 . 1 62 62 ILE N N 15 121.071 0.3 . 1 . . . . . 88 ILE N . 51891 1 435 . 1 . 1 63 63 LYS H H 1 7.789 0.020 . 1 . . . . . 89 LYS H . 51891 1 436 . 1 . 1 63 63 LYS C C 13 173.696 0.3 . 1 . . . . . 89 LYS C . 51891 1 437 . 1 . 1 63 63 LYS CA C 13 60.465 0.3 . 1 . . . . . 89 LYS CA . 51891 1 438 . 1 . 1 63 63 LYS CB C 13 32.036 0.3 . 1 . . . . . 89 LYS CB . 51891 1 439 . 1 . 1 63 63 LYS N N 15 121.223 0.3 . 1 . . . . . 89 LYS N . 51891 1 440 . 1 . 1 64 64 GLU H H 1 8.241 0.020 . 1 . . . . . 90 GLU H . 51891 1 441 . 1 . 1 64 64 GLU C C 13 173.296 0.3 . 1 . . . . . 90 GLU C . 51891 1 442 . 1 . 1 64 64 GLU CA C 13 58.607 0.3 . 1 . . . . . 90 GLU CA . 51891 1 443 . 1 . 1 64 64 GLU CB C 13 28.812 0.3 . 1 . . . . . 90 GLU CB . 51891 1 444 . 1 . 1 64 64 GLU N N 15 116.321 0.3 . 1 . . . . . 90 GLU N . 51891 1 445 . 1 . 1 65 65 LYS H H 1 8.113 0.020 . 1 . . . . . 91 LYS H . 51891 1 446 . 1 . 1 65 65 LYS CA C 13 58.833 0.3 . 1 . . . . . 91 LYS CA . 51891 1 447 . 1 . 1 65 65 LYS CB C 13 31.876 0.3 . 1 . . . . . 91 LYS CB . 51891 1 448 . 1 . 1 65 65 LYS N N 15 120.991 0.3 . 1 . . . . . 91 LYS N . 51891 1 449 . 1 . 1 66 66 TYR C C 13 173.007 0.3 . 1 . . . . . 92 TYR C . 51891 1 450 . 1 . 1 66 66 TYR CA C 13 58.159 0.3 . 1 . . . . . 92 TYR CA . 51891 1 451 . 1 . 1 66 66 TYR CB C 13 34.836 0.3 . 1 . . . . . 92 TYR CB . 51891 1 452 . 1 . 1 67 67 ILE H H 1 7.743 0.020 . 1 . . . . . 93 ILE H . 51891 1 453 . 1 . 1 67 67 ILE HB H 1 2.201 0.020 . 1 . . . . . 93 ILE HB . 51891 1 454 . 1 . 1 67 67 ILE HG21 H 1 0.797 0.020 . 1 . . . . . 93 ILE HG2 . 51891 1 455 . 1 . 1 67 67 ILE HG22 H 1 0.797 0.020 . 1 . . . . . 93 ILE HG2 . 51891 1 456 . 1 . 1 67 67 ILE HG23 H 1 0.797 0.020 . 1 . . . . . 93 ILE HG2 . 51891 1 457 . 1 . 1 67 67 ILE HD11 H 1 0.679 0.020 . 1 . . . . . 93 ILE HD1 . 51891 1 458 . 1 . 1 67 67 ILE HD12 H 1 0.679 0.020 . 1 . . . . . 93 ILE HD1 . 51891 1 459 . 1 . 1 67 67 ILE HD13 H 1 0.679 0.020 . 1 . . . . . 93 ILE HD1 . 51891 1 460 . 1 . 1 67 67 ILE C C 13 174.672 0.3 . 1 . . . . . 93 ILE C . 51891 1 461 . 1 . 1 67 67 ILE CA C 13 62.052 0.3 . 1 . . . . . 93 ILE CA . 51891 1 462 . 1 . 1 67 67 ILE CB C 13 35.278 0.3 . 1 . . . . . 93 ILE CB . 51891 1 463 . 1 . 1 67 67 ILE CG2 C 13 17.068 0.3 . 1 . . . . . 93 ILE CG2 . 51891 1 464 . 1 . 1 67 67 ILE CD1 C 13 10.172 0.3 . 1 . . . . . 93 ILE CD1 . 51891 1 465 . 1 . 1 67 67 ILE N N 15 122.358 0.3 . 1 . . . . . 93 ILE N . 51891 1 466 . 1 . 1 68 68 SER H H 1 8.061 0.020 . 1 . . . . . 94 SER H . 51891 1 467 . 1 . 1 68 68 SER CA C 13 62.288 0.3 . 1 . . . . . 94 SER CA . 51891 1 468 . 1 . 1 68 68 SER CB C 13 63.606 0.3 . 1 . . . . . 94 SER CB . 51891 1 469 . 1 . 1 68 68 SER N N 15 114.838 0.3 . 1 . . . . . 94 SER N . 51891 1 470 . 1 . 1 69 69 GLU H H 1 7.444 0.020 . 1 . . . . . 95 GLU H . 51891 1 471 . 1 . 1 69 69 GLU CA C 13 58.396 0.3 . 1 . . . . . 95 GLU CA . 51891 1 472 . 1 . 1 69 69 GLU CB C 13 27.039 0.3 . 1 . . . . . 95 GLU CB . 51891 1 473 . 1 . 1 69 69 GLU N N 15 124.116 0.3 . 1 . . . . . 95 GLU N . 51891 1 474 . 1 . 1 70 70 ARG CA C 13 56.217 0.3 . 1 . . . . . 96 ARG CA . 51891 1 475 . 1 . 1 70 70 ARG CB C 13 32.859 0.3 . 1 . . . . . 96 ARG CB . 51891 1 476 . 1 . 1 71 71 LYS H H 1 8.053 0.020 . 1 . . . . . 97 LYS H . 51891 1 477 . 1 . 1 71 71 LYS C C 13 173.755 0.3 . 1 . . . . . 97 LYS C . 51891 1 478 . 1 . 1 71 71 LYS CA C 13 56.417 0.3 . 1 . . . . . 97 LYS CA . 51891 1 479 . 1 . 1 71 71 LYS CB C 13 29.879 0.3 . 1 . . . . . 97 LYS CB . 51891 1 480 . 1 . 1 71 71 LYS N N 15 121.487 0.3 . 1 . . . . . 97 LYS N . 51891 1 481 . 1 . 1 72 72 LYS H H 1 8.016 0.020 . 1 . . . . . 98 LYS H . 51891 1 482 . 1 . 1 72 72 LYS CA C 13 59.733 0.3 . 1 . . . . . 98 LYS CA . 51891 1 483 . 1 . 1 72 72 LYS CB C 13 32.153 0.3 . 1 . . . . . 98 LYS CB . 51891 1 484 . 1 . 1 72 72 LYS N N 15 120.405 0.3 . 1 . . . . . 98 LYS N . 51891 1 485 . 1 . 1 73 73 LEU H H 1 7.278 0.020 . 1 . . . . . 99 LEU H . 51891 1 486 . 1 . 1 73 73 LEU C C 13 175.284 0.3 . 1 . . . . . 99 LEU C . 51891 1 487 . 1 . 1 73 73 LEU CA C 13 55.158 0.3 . 1 . . . . . 99 LEU CA . 51891 1 488 . 1 . 1 73 73 LEU CB C 13 40.807 0.3 . 1 . . . . . 99 LEU CB . 51891 1 489 . 1 . 1 73 73 LEU N N 15 117.181 0.3 . 1 . . . . . 99 LEU N . 51891 1 490 . 1 . 1 74 74 TYR H H 1 8.461 0.020 . 1 . . . . . 100 TYR H . 51891 1 491 . 1 . 1 74 74 TYR CA C 13 54.413 0.3 . 1 . . . . . 100 TYR CA . 51891 1 492 . 1 . 1 74 74 TYR N N 15 112.185 0.3 . 1 . . . . . 100 TYR N . 51891 1 493 . 1 . 1 75 75 SER C C 13 175.046 0.3 . 1 . . . . . 101 SER C . 51891 1 494 . 1 . 1 75 75 SER CA C 13 62.243 0.3 . 1 . . . . . 101 SER CA . 51891 1 495 . 1 . 1 75 75 SER CB C 13 66.659 0.3 . 1 . . . . . 101 SER CB . 51891 1 496 . 1 . 1 76 76 GLU H H 1 7.984 0.020 . 1 . . . . . 102 GLU H . 51891 1 497 . 1 . 1 76 76 GLU CA C 13 58.908 0.3 . 1 . . . . . 102 GLU CA . 51891 1 498 . 1 . 1 76 76 GLU CB C 13 28.726 0.3 . 1 . . . . . 102 GLU CB . 51891 1 499 . 1 . 1 76 76 GLU N N 15 124.156 0.3 . 1 . . . . . 102 GLU N . 51891 1 500 . 1 . 1 78 78 GLN C C 13 174.265 0.3 . 1 . . . . . 104 GLN C . 51891 1 501 . 1 . 1 78 78 GLN CA C 13 57.645 0.3 . 1 . . . . . 104 GLN CA . 51891 1 502 . 1 . 1 78 78 GLN CB C 13 28.681 0.3 . 1 . . . . . 104 GLN CB . 51891 1 503 . 1 . 1 79 79 LYS H H 1 7.598 0.020 . 1 . . . . . 105 LYS H . 51891 1 504 . 1 . 1 79 79 LYS HA H 1 3.949 0.020 . 1 . . . . . 105 LYS HA . 51891 1 505 . 1 . 1 79 79 LYS HB2 H 1 1.775 0.020 . 1 . . . . . 105 LYS HB2 . 51891 1 506 . 1 . 1 79 79 LYS HB3 H 1 1.775 0.020 . 1 . . . . . 105 LYS HB3 . 51891 1 507 . 1 . 1 79 79 LYS C C 13 174.655 0.3 . 1 . . . . . 105 LYS C . 51891 1 508 . 1 . 1 79 79 LYS CA C 13 58.196 0.3 . 1 . . . . . 105 LYS CA . 51891 1 509 . 1 . 1 79 79 LYS CB C 13 32.348 0.3 . 1 . . . . . 105 LYS CB . 51891 1 510 . 1 . 1 79 79 LYS N N 15 120.266 0.3 . 1 . . . . . 105 LYS N . 51891 1 511 . 1 . 1 80 80 ALA H H 1 7.748 0.020 . 1 . . . . . 106 ALA H . 51891 1 512 . 1 . 1 80 80 ALA HA H 1 4.088 0.020 . 1 . . . . . 106 ALA HA . 51891 1 513 . 1 . 1 80 80 ALA HB1 H 1 1.308 0.020 . 1 . . . . . 106 ALA HB . 51891 1 514 . 1 . 1 80 80 ALA HB2 H 1 1.308 0.020 . 1 . . . . . 106 ALA HB . 51891 1 515 . 1 . 1 80 80 ALA HB3 H 1 1.308 0.020 . 1 . . . . . 106 ALA HB . 51891 1 516 . 1 . 1 80 80 ALA C C 13 173.109 0.3 . 1 . . . . . 106 ALA C . 51891 1 517 . 1 . 1 80 80 ALA CA C 13 53.248 0.3 . 1 . . . . . 106 ALA CA . 51891 1 518 . 1 . 1 80 80 ALA CB C 13 18.500 0.3 . 1 . . . . . 106 ALA CB . 51891 1 519 . 1 . 1 80 80 ALA N N 15 123.071 0.3 . 1 . . . . . 106 ALA N . 51891 1 520 . 1 . 1 81 81 LYS H H 1 8.057 0.020 . 1 . . . . . 107 LYS H . 51891 1 521 . 1 . 1 81 81 LYS HA H 1 3.889 0.020 . 1 . . . . . 107 LYS HA . 51891 1 522 . 1 . 1 81 81 LYS HB2 H 1 1.511 0.020 . 1 . . . . . 107 LYS HB2 . 51891 1 523 . 1 . 1 81 81 LYS HB3 H 1 1.511 0.020 . 1 . . . . . 107 LYS HB3 . 51891 1 524 . 1 . 1 81 81 LYS C C 13 175.165 0.3 . 1 . . . . . 107 LYS C . 51891 1 525 . 1 . 1 81 81 LYS CA C 13 57.326 0.3 . 1 . . . . . 107 LYS CA . 51891 1 526 . 1 . 1 81 81 LYS CB C 13 32.081 0.3 . 1 . . . . . 107 LYS CB . 51891 1 527 . 1 . 1 81 81 LYS N N 15 120.336 0.3 . 1 . . . . . 107 LYS N . 51891 1 528 . 1 . 1 82 82 LYS H H 1 7.673 0.020 . 1 . . . . . 108 LYS H . 51891 1 529 . 1 . 1 82 82 LYS HA H 1 4.109 0.020 . 1 . . . . . 108 LYS HA . 51891 1 530 . 1 . 1 82 82 LYS HB2 H 1 1.695 0.020 . 1 . . . . . 108 LYS HB2 . 51891 1 531 . 1 . 1 82 82 LYS HB3 H 1 1.695 0.020 . 1 . . . . . 108 LYS HB3 . 51891 1 532 . 1 . 1 82 82 LYS C C 13 174.876 0.3 . 1 . . . . . 108 LYS C . 51891 1 533 . 1 . 1 82 82 LYS CA C 13 57.297 0.3 . 1 . . . . . 108 LYS CA . 51891 1 534 . 1 . 1 82 82 LYS CB C 13 32.303 0.3 . 1 . . . . . 108 LYS CB . 51891 1 535 . 1 . 1 82 82 LYS N N 15 120.991 0.3 . 1 . . . . . 108 LYS N . 51891 1 536 . 1 . 1 83 83 GLU H H 1 7.766 0.020 . 1 . . . . . 109 GLU H . 51891 1 537 . 1 . 1 83 83 GLU HA H 1 4.029 0.020 . 1 . . . . . 109 GLU HA . 51891 1 538 . 1 . 1 83 83 GLU HB2 H 1 1.814 0.020 . 1 . . . . . 109 GLU HB2 . 51891 1 539 . 1 . 1 83 83 GLU HB3 H 1 1.814 0.020 . 1 . . . . . 109 GLU HB3 . 51891 1 540 . 1 . 1 83 83 GLU C C 13 175.675 0.3 . 1 . . . . . 109 GLU C . 51891 1 541 . 1 . 1 83 83 GLU CA C 13 56.997 0.3 . 1 . . . . . 109 GLU CA . 51891 1 542 . 1 . 1 83 83 GLU CB C 13 29.694 0.3 . 1 . . . . . 109 GLU CB . 51891 1 543 . 1 . 1 83 83 GLU N N 15 119.807 0.3 . 1 . . . . . 109 GLU N . 51891 1 544 . 1 . 1 84 84 PHE H H 1 7.864 0.020 . 1 . . . . . 110 PHE H . 51891 1 545 . 1 . 1 84 84 PHE HA H 1 4.428 0.020 . 1 . . . . . 110 PHE HA . 51891 1 546 . 1 . 1 84 84 PHE HB2 H 1 3.086 0.020 . 1 . . . . . 110 PHE HB2 . 51891 1 547 . 1 . 1 84 84 PHE HB3 H 1 3.086 0.020 . 1 . . . . . 110 PHE HB3 . 51891 1 548 . 1 . 1 84 84 PHE C C 13 176.745 0.3 . 1 . . . . . 110 PHE C . 51891 1 549 . 1 . 1 84 84 PHE CA C 13 57.978 0.3 . 1 . . . . . 110 PHE CA . 51891 1 550 . 1 . 1 84 84 PHE CB C 13 39.605 0.3 . 1 . . . . . 110 PHE CB . 51891 1 551 . 1 . 1 84 84 PHE N N 15 120.076 0.3 . 1 . . . . . 110 PHE N . 51891 1 552 . 1 . 1 85 85 ASP H H 1 8.011 0.020 . 1 . . . . . 111 ASP H . 51891 1 553 . 1 . 1 85 85 ASP HA H 1 4.488 0.020 . 1 . . . . . 111 ASP HA . 51891 1 554 . 1 . 1 85 85 ASP HB2 H 1 2.482 0.020 . 1 . . . . . 111 ASP HB2 . 51891 1 555 . 1 . 1 85 85 ASP HB3 H 1 2.482 0.020 . 1 . . . . . 111 ASP HB3 . 51891 1 556 . 1 . 1 85 85 ASP C C 13 177.136 0.3 . 1 . . . . . 111 ASP C . 51891 1 557 . 1 . 1 85 85 ASP CA C 13 54.163 0.3 . 1 . . . . . 111 ASP CA . 51891 1 558 . 1 . 1 85 85 ASP CB C 13 41.167 0.3 . 1 . . . . . 111 ASP CB . 51891 1 559 . 1 . 1 85 85 ASP N N 15 121.798 0.3 . 1 . . . . . 111 ASP N . 51891 1 560 . 1 . 1 86 86 GLU H H 1 7.535 0.020 . 1 . . . . . 112 GLU H . 51891 1 561 . 1 . 1 86 86 GLU CA C 13 57.934 0.3 . 1 . . . . . 112 GLU CA . 51891 1 562 . 1 . 1 86 86 GLU CB C 13 30.796 0.3 . 1 . . . . . 112 GLU CB . 51891 1 563 . 1 . 1 86 86 GLU N N 15 126.123 0.3 . 1 . . . . . 112 GLU N . 51891 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51891 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name Abf2-HMG1 _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-15N HSQC' . . . 51891 2 2 '2D 1H-13C HSQC aliphatic' . . . 51891 2 3 '3D HCCH-TOCSY' . . . 51891 2 4 '3D (H)CCH-TOCSY' . . . 51891 2 5 '3D CBCACONH' . . . 51891 2 6 '3D CBCANH' . . . 51891 2 7 '3D HNCO' . . . 51891 2 8 '3D HNCA' . . . 51891 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51891 2 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 13 13 ILE CA C 13 60.952 0.3 . 1 . . . . . 39 ILE CA . 51891 2 2 . 1 . 1 13 13 ILE CB C 13 38.026 0.3 . 1 . . . . . 39 ILE CB . 51891 2 3 . 1 . 1 14 14 LYS H H 1 8.099 0.020 . 1 . . . . . 40 LYS H . 51891 2 4 . 1 . 1 14 14 LYS C C 13 175.870 0.3 . 1 . . . . . 40 LYS C . 51891 2 5 . 1 . 1 14 14 LYS CA C 13 56.309 0.3 . 1 . . . . . 40 LYS CA . 51891 2 6 . 1 . 1 14 14 LYS CB C 13 32.409 0.3 . 1 . . . . . 40 LYS CB . 51891 2 7 . 1 . 1 14 14 LYS N N 15 125.447 0.3 . 1 . . . . . 40 LYS N . 51891 2 8 . 1 . 1 15 15 GLN H H 1 8.160 0.020 . 1 . . . . . 41 GLN H . 51891 2 9 . 1 . 1 15 15 GLN HA H 1 4.234 0.020 . 1 . . . . . 41 GLN HA . 51891 2 10 . 1 . 1 15 15 GLN HB2 H 1 1.911 0.020 . 1 . . . . . 41 GLN HB2 . 51891 2 11 . 1 . 1 15 15 GLN HB3 H 1 1.911 0.020 . 1 . . . . . 41 GLN HB3 . 51891 2 12 . 1 . 1 15 15 GLN C C 13 176.439 0.3 . 1 . . . . . 41 GLN C . 51891 2 13 . 1 . 1 15 15 GLN CA C 13 55.519 0.3 . 1 . . . . . 41 GLN CA . 51891 2 14 . 1 . 1 15 15 GLN CB C 13 29.320 0.3 . 1 . . . . . 41 GLN CB . 51891 2 15 . 1 . 1 15 15 GLN N N 15 121.616 0.3 . 1 . . . . . 41 GLN N . 51891 2 16 . 1 . 1 16 16 GLY H H 1 8.018 0.020 . 1 . . . . . 42 GLY H . 51891 2 17 . 1 . 1 16 16 GLY CA C 13 43.996 0.3 . 1 . . . . . 42 GLY CA . 51891 2 18 . 1 . 1 16 16 GLY N N 15 110.361 0.3 . 1 . . . . . 42 GLY N . 51891 2 19 . 1 . 1 17 17 PRO HA H 1 4.524 0.020 . 1 . . . . . 43 PRO HA . 51891 2 20 . 1 . 1 17 17 PRO C C 13 176.032 0.3 . 1 . . . . . 43 PRO C . 51891 2 21 . 1 . 1 17 17 PRO CA C 13 61.940 0.3 . 1 . . . . . 43 PRO CA . 51891 2 22 . 1 . 1 17 17 PRO CB C 13 34.536 0.3 . 1 . . . . . 43 PRO CB . 51891 2 23 . 1 . 1 18 18 LYS H H 1 8.478 0.020 . 1 . . . . . 44 LYS H . 51891 2 24 . 1 . 1 18 18 LYS C C 13 175.454 0.3 . 1 . . . . . 44 LYS C . 51891 2 25 . 1 . 1 18 18 LYS CA C 13 56.068 0.3 . 1 . . . . . 44 LYS CA . 51891 2 26 . 1 . 1 18 18 LYS CB C 13 32.874 0.3 . 1 . . . . . 44 LYS CB . 51891 2 27 . 1 . 1 18 18 LYS N N 15 122.754 0.3 . 1 . . . . . 44 LYS N . 51891 2 28 . 1 . 1 19 19 ARG H H 1 8.224 0.020 . 1 . . . . . 45 ARG H . 51891 2 29 . 1 . 1 19 19 ARG CA C 13 53.987 0.3 . 1 . . . . . 45 ARG CA . 51891 2 30 . 1 . 1 19 19 ARG CB C 13 30.094 0.3 . 1 . . . . . 45 ARG CB . 51891 2 31 . 1 . 1 19 19 ARG N N 15 124.745 0.3 . 1 . . . . . 45 ARG N . 51891 2 32 . 1 . 1 76 76 GLU CA C 13 59.202 0.3 . 1 . . . . . 102 GLU CA . 51891 2 33 . 1 . 1 76 76 GLU CB C 13 31.714 0.3 . 1 . . . . . 102 GLU CB . 51891 2 34 . 1 . 1 77 77 TYR H H 1 7.421 0.020 . 1 . . . . . 103 TYR H . 51891 2 35 . 1 . 1 77 77 TYR CA C 13 62.917 0.3 . 1 . . . . . 103 TYR CA . 51891 2 36 . 1 . 1 77 77 TYR CB C 13 42.806 0.3 . 1 . . . . . 103 TYR CB . 51891 2 37 . 1 . 1 77 77 TYR N N 15 119.378 0.3 . 1 . . . . . 103 TYR N . 51891 2 38 . 1 . 1 78 78 GLN CA C 13 57.107 0.3 . 1 . . . . . 104 GLN CA . 51891 2 39 . 1 . 1 78 78 GLN CB C 13 31.062 0.3 . 1 . . . . . 104 GLN CB . 51891 2 40 . 1 . 1 79 79 LYS H H 1 7.776 0.020 . 1 . . . . . 105 LYS H . 51891 2 41 . 1 . 1 79 79 LYS CA C 13 57.003 0.3 . 1 . . . . . 105 LYS CA . 51891 2 42 . 1 . 1 79 79 LYS CB C 13 30.481 0.3 . 1 . . . . . 105 LYS CB . 51891 2 43 . 1 . 1 79 79 LYS N N 15 115.231 0.3 . 1 . . . . . 105 LYS N . 51891 2 44 . 1 . 1 80 80 ALA H H 1 8.678 0.020 . 1 . . . . . 106 ALA H . 51891 2 45 . 1 . 1 80 80 ALA C C 13 171.512 0.3 . 1 . . . . . 106 ALA C . 51891 2 46 . 1 . 1 80 80 ALA CA C 13 54.835 0.3 . 1 . . . . . 106 ALA CA . 51891 2 47 . 1 . 1 80 80 ALA CB C 13 18.534 0.3 . 1 . . . . . 106 ALA CB . 51891 2 48 . 1 . 1 80 80 ALA N N 15 119.077 0.3 . 1 . . . . . 106 ALA N . 51891 2 49 . 1 . 1 81 81 LYS H H 1 7.409 0.020 . 1 . . . . . 107 LYS H . 51891 2 50 . 1 . 1 81 81 LYS CA C 13 58.284 0.3 . 1 . . . . . 107 LYS CA . 51891 2 51 . 1 . 1 81 81 LYS CB C 13 30.188 0.3 . 1 . . . . . 107 LYS CB . 51891 2 52 . 1 . 1 81 81 LYS N N 15 117.768 0.3 . 1 . . . . . 107 LYS N . 51891 2 53 . 1 . 1 82 82 LYS H H 1 7.615 0.020 . 1 . . . . . 108 LYS H . 51891 2 54 . 1 . 1 82 82 LYS CA C 13 58.996 0.3 . 1 . . . . . 108 LYS CA . 51891 2 55 . 1 . 1 82 82 LYS CB C 13 31.642 0.3 . 1 . . . . . 108 LYS CB . 51891 2 56 . 1 . 1 82 82 LYS N N 15 120.693 0.3 . 1 . . . . . 108 LYS N . 51891 2 57 . 1 . 1 83 83 GLU H H 1 8.483 0.020 . 1 . . . . . 109 GLU H . 51891 2 58 . 1 . 1 83 83 GLU C C 13 173.262 0.3 . 1 . . . . . 109 GLU C . 51891 2 59 . 1 . 1 83 83 GLU CA C 13 59.250 0.3 . 1 . . . . . 109 GLU CA . 51891 2 60 . 1 . 1 83 83 GLU CB C 13 30.094 0.3 . 1 . . . . . 109 GLU CB . 51891 2 61 . 1 . 1 83 83 GLU N N 15 119.721 0.3 . 1 . . . . . 109 GLU N . 51891 2 62 . 1 . 1 84 84 PHE H H 1 8.142 0.020 . 1 . . . . . 110 PHE H . 51891 2 63 . 1 . 1 84 84 PHE HA H 1 4.524 0.020 . 1 . . . . . 110 PHE HA . 51891 2 64 . 1 . 1 84 84 PHE HB2 H 1 2.982 0.020 . 1 . . . . . 110 PHE HB2 . 51891 2 65 . 1 . 1 84 84 PHE HB3 H 1 2.982 0.020 . 1 . . . . . 110 PHE HB3 . 51891 2 66 . 1 . 1 84 84 PHE C C 13 176.957 0.3 . 1 . . . . . 110 PHE C . 51891 2 67 . 1 . 1 84 84 PHE CA C 13 57.175 0.3 . 1 . . . . . 110 PHE CA . 51891 2 68 . 1 . 1 84 84 PHE CB C 13 41.896 0.3 . 1 . . . . . 110 PHE CB . 51891 2 69 . 1 . 1 84 84 PHE N N 15 120.301 0.3 . 1 . . . . . 110 PHE N . 51891 2 70 . 1 . 1 85 85 ASP H H 1 8.066 0.020 . 1 . . . . . 111 ASP H . 51891 2 71 . 1 . 1 85 85 ASP HA H 1 4.506 0.020 . 1 . . . . . 111 ASP HA . 51891 2 72 . 1 . 1 85 85 ASP HB2 H 1 2.546 0.020 . 1 . . . . . 111 ASP HB2 . 51891 2 73 . 1 . 1 85 85 ASP HB3 H 1 2.546 0.020 . 1 . . . . . 111 ASP HB3 . 51891 2 74 . 1 . 1 85 85 ASP C C 13 177.238 0.3 . 1 . . . . . 111 ASP C . 51891 2 75 . 1 . 1 85 85 ASP CA C 13 54.058 0.3 . 1 . . . . . 111 ASP CA . 51891 2 76 . 1 . 1 85 85 ASP CB C 13 40.949 0.3 . 1 . . . . . 111 ASP CB . 51891 2 77 . 1 . 1 85 85 ASP N N 15 122.525 0.3 . 1 . . . . . 111 ASP N . 51891 2 78 . 1 . 1 86 86 GLU H H 1 7.637 0.020 . 1 . . . . . 112 GLU H . 51891 2 79 . 1 . 1 86 86 GLU CA C 13 57.747 0.3 . 1 . . . . . 112 GLU CA . 51891 2 80 . 1 . 1 86 86 GLU CB C 13 30.898 0.3 . 1 . . . . . 112 GLU CB . 51891 2 81 . 1 . 1 86 86 GLU N N 15 126.265 0.3 . 1 . . . . . 112 GLU N . 51891 2 stop_ save_