################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 12019 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D RFDR' 1 $sample_1 isotropic 12019 1 2 '2D DARR' 1 $sample_1 isotropic 12019 1 3 '2D INADEQUATE' 1 $sample_1 isotropic 12019 1 4 '2D NCACB' 1 $sample_1 isotropic 12019 1 5 '3D NCOCA' 1 $sample_1 isotropic 12019 1 6 '3D NCACO' 1 $sample_1 isotropic 12019 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Felix . . 12019 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 FMT C C 13 174 1.3 . 1 . . . . . 654 fMet C . 12019 1 2 . 1 1 1 1 FMT CA C 13 52.7 1.3 . 1 . . . . . 654 fMet CA . 12019 1 3 . 1 1 1 1 FMT CB C 13 35.8 1.3 . 1 . . . . . 654 fMet CB . 12019 1 4 . 1 1 1 1 FMT CN C 13 163.9 1.3 . 1 . . . . . 654 fMet CN . 12019 1 5 . 1 1 1 1 FMT N N 15 131.6 2 . 1 . . . . . 654 fMet N . 12019 1 6 . 1 1 2 2 ALA C C 13 179.8 1.8 . 1 . . . . . 655 ALA C . 12019 1 7 . 1 1 2 2 ALA CA C 13 51.8 1 . 1 . . . . . 655 ALA CA . 12019 1 8 . 1 1 2 2 ALA CB C 13 19.5 1 . 1 . . . . . 655 ALA CB . 12019 1 9 . 1 1 2 2 ALA N N 15 124.6 2 . 1 . . . . . 655 ALA N . 12019 1 10 . 1 1 3 3 TRP C C 13 175 0.5 . 1 . . . . . 656 TRP C . 12019 1 11 . 1 1 3 3 TRP CA C 13 59.5 0.5 . 1 . . . . . 656 TRP CA . 12019 1 12 . 1 1 3 3 TRP CB C 13 29.6 0.5 . 1 . . . . . 656 TRP CB . 12019 1 13 . 1 1 3 3 TRP CD1 C 13 125.8 0.5 . 1 . . . . . 656 TRP CD1 . 12019 1 14 . 1 1 3 3 TRP CD2 C 13 130.7 0.5 . 1 . . . . . 656 TRP CD2 . 12019 1 15 . 1 1 3 3 TRP CE2 C 13 138.4 0.5 . 1 . . . . . 656 TRP CE2 . 12019 1 16 . 1 1 3 3 TRP CE3 C 13 120.9 0.5 . 1 . . . . . 656 TRP CE3 . 12019 1 17 . 1 1 3 3 TRP CG C 13 110.4 0.5 . 1 . . . . . 656 TRP CG . 12019 1 18 . 1 1 3 3 TRP CH2 C 13 124.4 0.5 . 1 . . . . . 656 TRP CH2 . 12019 1 19 . 1 1 3 3 TRP CZ2 C 13 113.9 0.5 . 1 . . . . . 656 TRP CZ2 . 12019 1 20 . 1 1 3 3 TRP CZ3 C 13 119.8 0.5 . 1 . . . . . 656 TRP CZ3 . 12019 1 21 . 1 1 3 3 TRP N N 15 124.7 2 . 1 . . . . . 656 TRP N . 12019 1 22 . 1 1 4 4 GLN C C 13 173.9 0.5 . 1 . . . . . 657 GLN C . 12019 1 23 . 1 1 4 4 GLN CA C 13 53.2 0.5 . 1 . . . . . 657 GLN CA . 12019 1 24 . 1 1 4 4 GLN CB C 13 33.3 0.5 . 1 . . . . . 657 GLN CB . 12019 1 25 . 1 1 4 4 GLN CD C 13 181.2 0.5 . 1 . . . . . 657 GLN CD . 12019 1 26 . 1 1 4 4 GLN CG C 13 33.8 0.5 . 1 . . . . . 657 GLN CG . 12019 1 27 . 1 1 4 4 GLN N N 15 124.5 2 . 1 . . . . . 657 GLN N . 12019 1 28 . 1 1 5 5 VAL C C 13 175 0.5 . 1 . . . . . 658 VAL C . 12019 1 29 . 1 1 5 5 VAL CA C 13 61.9 0.5 . 1 . . . . . 658 VAL CA . 12019 1 30 . 1 1 5 5 VAL CB C 13 34.4 0.5 . 1 . . . . . 658 VAL CB . 12019 1 31 . 1 1 5 5 VAL CG1 C 13 21.6 0.5 . 1 . . . . . 658 VAL CG1 . 12019 1 32 . 1 1 5 5 VAL CG2 C 13 19.9 0.5 . 1 . . . . . 658 VAL CG2 . 12019 1 33 . 1 1 5 5 VAL N N 15 115.2 2 . 1 . . . . . 658 VAL N . 12019 1 34 . 1 1 6 6 ASN C C 13 174.3 0.5 . 1 . . . . . 659 ASN C . 12019 1 35 . 1 1 6 6 ASN CA C 13 52.7 0.5 . 1 . . . . . 659 ASN CA . 12019 1 36 . 1 1 6 6 ASN CB C 13 35.4 0.5 . 1 . . . . . 659 ASN CB . 12019 1 37 . 1 1 6 6 ASN CG C 13 178.4 0.5 . 1 . . . . . 659 ASN CG . 12019 1 38 . 1 1 6 6 ASN N N 15 122.9 2 . 1 . . . . . 659 ASN N . 12019 1 39 . 1 1 6 6 ASN ND2 N 15 112.5 2 . 1 . . . . . 659 ASN ND2 . 12019 1 40 . 1 1 7 7 THR C C 13 171.9 0.5 . 1 . . . . . 660 THR C . 12019 1 41 . 1 1 7 7 THR CA C 13 61.7 0.5 . 1 . . . . . 660 THR CA . 12019 1 42 . 1 1 7 7 THR CB C 13 71.3 0.5 . 1 . . . . . 660 THR CB . 12019 1 43 . 1 1 7 7 THR CG2 C 13 19.4 0.5 . 1 . . . . . 660 THR CG2 . 12019 1 44 . 1 1 7 7 THR N N 15 113.5 2 . 1 . . . . . 660 THR N . 12019 1 45 . 1 1 8 8 ALA C C 13 175.3 0.5 . 1 . . . . . 661 ALA C . 12019 1 46 . 1 1 8 8 ALA CA C 13 51.7 0.5 . 1 . . . . . 661 ALA CA . 12019 1 47 . 1 1 8 8 ALA CB C 13 18.5 0.5 . 1 . . . . . 661 ALA CB . 12019 1 48 . 1 1 8 8 ALA N N 15 130.1 2 . 1 . . . . . 661 ALA N . 12019 1 49 . 1 1 9 9 TYR C C 13 177 0.5 . 1 . . . . . 662 TYR C . 12019 1 50 . 1 1 9 9 TYR CA C 13 58.8 0.5 . 1 . . . . . 662 TYR CA . 12019 1 51 . 1 1 9 9 TYR CB C 13 43.8 0.5 . 1 . . . . . 662 TYR CB . 12019 1 52 . 1 1 9 9 TYR CD1 C 13 133.5 0.5 . 3 . . . . . 662 TYR CD1 . 12019 1 53 . 1 1 9 9 TYR CE1 C 13 118.4 0.5 . 3 . . . . . 662 TYR CE1 . 12019 1 54 . 1 1 9 9 TYR CG C 13 130.8 0.5 . 1 . . . . . 662 TYR CG . 12019 1 55 . 1 1 9 9 TYR CZ C 13 158.1 0.5 . 1 . . . . . 662 TYR CZ . 12019 1 56 . 1 1 9 9 TYR N N 15 124 2 . 1 . . . . . 662 TYR N . 12019 1 57 . 1 1 10 10 THR C C 13 174.7 0.5 . 1 . . . . . 663 THR C . 12019 1 58 . 1 1 10 10 THR CA C 13 59.5 0.5 . 1 . . . . . 663 THR CA . 12019 1 59 . 1 1 10 10 THR CB C 13 70.5 0.5 . 1 . . . . . 663 THR CB . 12019 1 60 . 1 1 10 10 THR CG2 C 13 22.2 0.5 . 1 . . . . . 663 THR CG2 . 12019 1 61 . 1 1 10 10 THR N N 15 113.2 2 . 1 . . . . . 663 THR N . 12019 1 62 . 1 1 11 11 ALA C C 13 177.2 0.5 . 1 . . . . . 664 ALA C . 12019 1 63 . 1 1 11 11 ALA CA C 13 53.5 0.5 . 1 . . . . . 664 ALA CA . 12019 1 64 . 1 1 11 11 ALA CB C 13 18.8 0.5 . 1 . . . . . 664 ALA CB . 12019 1 65 . 1 1 11 11 ALA N N 15 122.1 2 . 1 . . . . . 664 ALA N . 12019 1 66 . 1 1 12 12 GLY C C 13 174.1 0.5 . 1 . . . . . 665 GLY C . 12019 1 67 . 1 1 12 12 GLY CA C 13 44.9 0.5 . 1 . . . . . 665 GLY CA . 12019 1 68 . 1 1 12 12 GLY N N 15 108.9 2 . 1 . . . . . 665 GLY N . 12019 1 69 . 1 1 13 13 GLN C C 13 175.2 0.5 . 1 . . . . . 666 GLN C . 12019 1 70 . 1 1 13 13 GLN CA C 13 58.8 0.5 . 1 . . . . . 666 GLN CA . 12019 1 71 . 1 1 13 13 GLN CB C 13 31.3 0.5 . 1 . . . . . 666 GLN CB . 12019 1 72 . 1 1 13 13 GLN CD C 13 181.1 0.5 . 1 . . . . . 666 GLN CD . 12019 1 73 . 1 1 13 13 GLN CG C 13 36.9 0.5 . 1 . . . . . 666 GLN CG . 12019 1 74 . 1 1 13 13 GLN N N 15 116.9 2 . 1 . . . . . 666 GLN N . 12019 1 75 . 1 1 14 14 LEU C C 13 177.7 0.5 . 1 . . . . . 667 LEU C . 12019 1 76 . 1 1 14 14 LEU CA C 13 53.7 0.5 . 1 . . . . . 667 LEU CA . 12019 1 77 . 1 1 14 14 LEU CB C 13 46.4 0.5 . 1 . . . . . 667 LEU CB . 12019 1 78 . 1 1 14 14 LEU CD1 C 13 24.3 0.5 . 2 . . . . . 667 LEU CD1 . 12019 1 79 . 1 1 14 14 LEU CD2 C 13 21.9 0.5 . 2 . . . . . 667 LEU CD2 . 12019 1 80 . 1 1 14 14 LEU CG C 13 27.1 0.5 . 1 . . . . . 667 LEU CG . 12019 1 81 . 1 1 14 14 LEU N N 15 125 2 . 1 . . . . . 667 LEU N . 12019 1 82 . 1 1 15 15 VAL C C 13 175.6 0.5 . 1 . . . . . 668 VAL C . 12019 1 83 . 1 1 15 15 VAL CA C 13 58.4 0.5 . 1 . . . . . 668 VAL CA . 12019 1 84 . 1 1 15 15 VAL CB C 13 37.3 0.5 . 1 . . . . . 668 VAL CB . 12019 1 85 . 1 1 15 15 VAL CG1 C 13 23.7 0.5 . 2 . . . . . 668 VAL CG1 . 12019 1 86 . 1 1 15 15 VAL CG2 C 13 20.1 0.5 . 2 . . . . . 668 VAL CG2 . 12019 1 87 . 1 1 15 15 VAL N N 15 114.95 2 . 1 . . . . . 668 VAL N . 12019 1 88 . 1 1 16 16 THR C C 13 175 0.5 . 1 . . . . . 669 THR C . 12019 1 89 . 1 1 16 16 THR CA C 13 59.5 0.5 . 1 . . . . . 669 THR CA . 12019 1 90 . 1 1 16 16 THR CB C 13 70.5 0.5 . 1 . . . . . 669 THR CB . 12019 1 91 . 1 1 16 16 THR CG2 C 13 24.1 0.5 . 1 . . . . . 669 THR CG2 . 12019 1 92 . 1 1 16 16 THR N N 15 111.4 2 . 1 . . . . . 669 THR N . 12019 1 93 . 1 1 17 17 TYR C C 13 176.4 0.5 . 1 . . . . . 670 TYR C . 12019 1 94 . 1 1 17 17 TYR CA C 13 60.1 0.5 . 1 . . . . . 670 TYR CA . 12019 1 95 . 1 1 17 17 TYR CB C 13 41.7 0.5 . 1 . . . . . 670 TYR CB . 12019 1 96 . 1 1 17 17 TYR CD1 C 13 132.7 0.5 . 3 . . . . . 670 TYR CD1 . 12019 1 97 . 1 1 17 17 TYR CE1 C 13 118.4 0.5 . 3 . . . . . 670 TYR CE1 . 12019 1 98 . 1 1 17 17 TYR CG C 13 128.2 0.5 . 1 . . . . . 670 TYR CG . 12019 1 99 . 1 1 17 17 TYR CZ C 13 158.1 0.5 . 1 . . . . . 670 TYR CZ . 12019 1 100 . 1 1 17 17 TYR N N 15 121.2 2 . 1 . . . . . 670 TYR N . 12019 1 101 . 1 1 18 18 ASN C C 13 174.1 0.5 . 1 . . . . . 671 ASN C . 12019 1 102 . 1 1 18 18 ASN CA C 13 53.2 0.5 . 1 . . . . . 671 ASN CA . 12019 1 103 . 1 1 18 18 ASN CB C 13 38.7 0.5 . 1 . . . . . 671 ASN CB . 12019 1 104 . 1 1 18 18 ASN CG C 13 177.2 0.5 . 1 . . . . . 671 ASN CG . 12019 1 105 . 1 1 18 18 ASN N N 15 129.3 2 . 1 . . . . . 671 ASN N . 12019 1 106 . 1 1 18 18 ASN ND2 N 15 111.1 2 . 1 . . . . . 671 ASN ND2 . 12019 1 107 . 1 1 19 19 GLY C C 13 172.9 0.5 . 1 . . . . . 672 GLY C . 12019 1 108 . 1 1 19 19 GLY CA C 13 45.9 0.5 . 1 . . . . . 672 GLY CA . 12019 1 109 . 1 1 19 19 GLY N N 15 102.9 2 . 1 . . . . . 672 GLY N . 12019 1 110 . 1 1 20 20 LYS C C 13 174.6 0.5 . 1 . . . . . 673 LYS C . 12019 1 111 . 1 1 20 20 LYS CA C 13 54.1 0.5 . 1 . . . . . 673 LYS CA . 12019 1 112 . 1 1 20 20 LYS CB C 13 36 0.5 . 1 . . . . . 673 LYS CB . 12019 1 113 . 1 1 20 20 LYS CD C 13 28.7 0.5 . 1 . . . . . 673 LYS CD . 12019 1 114 . 1 1 20 20 LYS CE C 13 43 0.5 . 1 . . . . . 673 LYS CE . 12019 1 115 . 1 1 20 20 LYS CG C 13 25.7 0.5 . 1 . . . . . 673 LYS CG . 12019 1 116 . 1 1 20 20 LYS N N 15 119.1 2 . 1 . . . . . 673 LYS N . 12019 1 117 . 1 1 21 21 THR C C 13 172.6 0.5 . 1 . . . . . 674 THR C . 12019 1 118 . 1 1 21 21 THR CA C 13 61.5 0.5 . 1 . . . . . 674 THR CA . 12019 1 119 . 1 1 21 21 THR CB C 13 70.1 0.5 . 1 . . . . . 674 THR CB . 12019 1 120 . 1 1 21 21 THR CG2 C 13 21.8 0.5 . 1 . . . . . 674 THR CG2 . 12019 1 121 . 1 1 21 21 THR N N 15 120.4 2 . 1 . . . . . 674 THR N . 12019 1 122 . 1 1 22 22 TYR C C 13 173.4 0.5 . 1 . . . . . 675 TYR C . 12019 1 123 . 1 1 22 22 TYR CA C 13 56.5 0.5 . 1 . . . . . 675 TYR CA . 12019 1 124 . 1 1 22 22 TYR CB C 13 45.4 0.5 . 1 . . . . . 675 TYR CB . 12019 1 125 . 1 1 22 22 TYR CD1 C 13 132.9 0.5 . 3 . . . . . 675 TYR CD1 . 12019 1 126 . 1 1 22 22 TYR CE1 C 13 118.4 0.5 . 3 . . . . . 675 TYR CE1 . 12019 1 127 . 1 1 22 22 TYR CG C 13 130.1 0.5 . 1 . . . . . 675 TYR CG . 12019 1 128 . 1 1 22 22 TYR CZ C 13 158.1 0.5 . 1 . . . . . 675 TYR CZ . 12019 1 129 . 1 1 22 22 TYR N N 15 121.8 2 . 1 . . . . . 675 TYR N . 12019 1 130 . 1 1 23 23 LYS C C 13 176.3 0.5 . 1 . . . . . 676 LYS C . 12019 1 131 . 1 1 23 23 LYS CA C 13 54.7 0.5 . 1 . . . . . 676 LYS CA . 12019 1 132 . 1 1 23 23 LYS CB C 13 39 0.5 . 1 . . . . . 676 LYS CB . 12019 1 133 . 1 1 23 23 LYS CD C 13 30.9 0.5 . 1 . . . . . 676 LYS CD . 12019 1 134 . 1 1 23 23 LYS CE C 13 42.9 0.5 . 1 . . . . . 676 LYS CE . 12019 1 135 . 1 1 23 23 LYS CG C 13 25.5 0.5 . 1 . . . . . 676 LYS CG . 12019 1 136 . 1 1 23 23 LYS N N 15 121.9 2 . 1 . . . . . 676 LYS N . 12019 1 137 . 1 1 23 23 LYS NZ N 15 31.7 2 . 1 . . . . . 676 LYS NZ . 12019 1 138 . 1 1 24 24 CYS C C 13 176.6 0.5 . 1 . . . . . 677 CYS C . 12019 1 139 . 1 1 24 24 CYS CA C 13 60.4 0.5 . 1 . . . . . 677 CYS CA . 12019 1 140 . 1 1 24 24 CYS CB C 13 26.8 0.5 . 2 . . . . . 677 CYS CB . 12019 1 141 . 1 1 24 24 CYS N N 15 129.8 2 . 1 . . . . . 677 CYS N . 12019 1 142 . 1 1 25 25 LEU C C 13 177.3 0.5 . 1 . . . . . 678 LEU C . 12019 1 143 . 1 1 25 25 LEU CA C 13 56 0.5 . 1 . . . . . 678 LEU CA . 12019 1 144 . 1 1 25 25 LEU CB C 13 44.1 0.5 . 1 . . . . . 678 LEU CB . 12019 1 145 . 1 1 25 25 LEU CD1 C 13 22.4 0.5 . 2 . . . . . 678 LEU CD1 . 12019 1 146 . 1 1 25 25 LEU CD2 C 13 25.4 0.5 . 2 . . . . . 678 LEU CD2 . 12019 1 147 . 1 1 25 25 LEU CG C 13 26.8 0.5 . 1 . . . . . 678 LEU CG . 12019 1 148 . 1 1 25 25 LEU N N 15 130.5 2 . 1 . . . . . 678 LEU N . 12019 1 149 . 1 1 26 26 GLN C C 13 171.6 0.5 . 1 . . . . . 679 GLN C . 12019 1 150 . 1 1 26 26 GLN CA C 13 52.1 0.5 . 1 . . . . . 679 GLN CA . 12019 1 151 . 1 1 26 26 GLN CB C 13 32.3 0.5 . 1 . . . . . 679 GLN CB . 12019 1 152 . 1 1 26 26 GLN CD C 13 178.9 0.5 . 1 . . . . . 679 GLN CD . 12019 1 153 . 1 1 26 26 GLN CG C 13 32.6 0.5 . 1 . . . . . 679 GLN CG . 12019 1 154 . 1 1 26 26 GLN N N 15 115.3 2 . 1 . . . . . 679 GLN N . 12019 1 155 . 1 1 27 27 PRO C C 13 175.3 0.5 . 1 . . . . . 680 PRO C . 12019 1 156 . 1 1 27 27 PRO CA C 13 62.2 0.5 . 1 . . . . . 680 PRO CA . 12019 1 157 . 1 1 27 27 PRO CB C 13 32.6 0.5 . 1 . . . . . 680 PRO CB . 12019 1 158 . 1 1 27 27 PRO CD C 13 50.6 0.5 . 1 . . . . . 680 PRO CD . 12019 1 159 . 1 1 27 27 PRO CG C 13 27.6 0.5 . 1 . . . . . 680 PRO CG . 12019 1 160 . 1 1 27 27 PRO N N 15 137.2 2 . 1 . . . . . 680 PRO N . 12019 1 161 . 1 1 28 28 HIS C C 13 173.5 0.5 . 1 . . . . . 681 HIS C . 12019 1 162 . 1 1 28 28 HIS CA C 13 56.5 0.5 . 1 . . . . . 681 HIS CA . 12019 1 163 . 1 1 28 28 HIS CB C 13 29.7 0.5 . 1 . . . . . 681 HIS CB . 12019 1 164 . 1 1 28 28 HIS CD2 C 13 129.7 0.5 . 1 . . . . . 681 HIS CD2 . 12019 1 165 . 1 1 28 28 HIS CE1 C 13 133.2 0.5 . 1 . . . . . 681 HIS CE1 . 12019 1 166 . 1 1 28 28 HIS CG C 13 127.9 0.5 . 1 . . . . . 681 HIS CG . 12019 1 167 . 1 1 28 28 HIS N N 15 116 2 . 1 . . . . . 681 HIS N . 12019 1 168 . 1 1 29 29 THR C C 13 175.6 0.5 . 1 . . . . . 682 THR C . 12019 1 169 . 1 1 29 29 THR CA C 13 61.9 0.5 . 1 . . . . . 682 THR CA . 12019 1 170 . 1 1 29 29 THR CB C 13 70.2 0.5 . 1 . . . . . 682 THR CB . 12019 1 171 . 1 1 29 29 THR CG2 C 13 25.7 0.5 . 1 . . . . . 682 THR CG2 . 12019 1 172 . 1 1 29 29 THR N N 15 113.6 2 . 1 . . . . . 682 THR N . 12019 1 173 . 1 1 30 30 SER C C 13 173.1 0.5 . 1 . . . . . 683 SER C . 12019 1 174 . 1 1 30 30 SER CA C 13 58.8 0.5 . 1 . . . . . 683 SER CA . 12019 1 175 . 1 1 30 30 SER CB C 13 66.5 0.5 . 1 . . . . . 683 SER CB . 12019 1 176 . 1 1 30 30 SER N N 15 125.3 2 . 1 . . . . . 683 SER N . 12019 1 177 . 1 1 31 31 LEU C C 13 176.1 0.5 . 1 . . . . . 684 LEU C . 12019 1 178 . 1 1 31 31 LEU CA C 13 54.1 0.5 . 1 . . . . . 684 LEU CA . 12019 1 179 . 1 1 31 31 LEU CB C 13 46.4 0.5 . 1 . . . . . 684 LEU CB . 12019 1 180 . 1 1 31 31 LEU CD1 C 13 24.9 0.5 . 2 . . . . . 684 LEU CD1 . 12019 1 181 . 1 1 31 31 LEU CD2 C 13 24 0.5 . 2 . . . . . 684 LEU CD2 . 12019 1 182 . 1 1 31 31 LEU CG C 13 26.1 0.5 . 1 . . . . . 684 LEU CG . 12019 1 183 . 1 1 31 31 LEU N N 15 122.4 2 . 1 . . . . . 684 LEU N . 12019 1 184 . 1 1 32 32 ALA C C 13 177.5 0.5 . 1 . . . . . 685 ALA C . 12019 1 185 . 1 1 32 32 ALA CA C 13 54.5 0.5 . 1 . . . . . 685 ALA CA . 12019 1 186 . 1 1 32 32 ALA CB C 13 18.2 0.5 . 1 . . . . . 685 ALA CB . 12019 1 187 . 1 1 32 32 ALA N N 15 125.1 2 . 1 . . . . . 685 ALA N . 12019 1 188 . 1 1 33 33 GLY C C 13 176.1 0.5 . 1 . . . . . 686 GLY C . 12019 1 189 . 1 1 33 33 GLY CA C 13 46.7 0.5 . 2 . . . . . 686 GLY CA . 12019 1 190 . 1 1 33 33 GLY N N 15 113.4 2 . 2 . . . . . 686 GLY N . 12019 1 191 . 1 1 34 34 TRP C C 13 176.3 0.5 . 1 . . . . . 687 TRP C . 12019 1 192 . 1 1 34 34 TRP CA C 13 54.7 0.5 . 1 . . . . . 687 TRP CA . 12019 1 193 . 1 1 34 34 TRP CB C 13 28.4 0.5 . 1 . . . . . 687 TRP CB . 12019 1 194 . 1 1 34 34 TRP CD1 C 13 124 0.5 . 1 . . . . . 687 TRP CD1 . 12019 1 195 . 1 1 34 34 TRP CD2 C 13 130.7 0.5 . 1 . . . . . 687 TRP CD2 . 12019 1 196 . 1 1 34 34 TRP CE2 C 13 138.3 0.5 . 1 . . . . . 687 TRP CE2 . 12019 1 197 . 1 1 34 34 TRP CE3 C 13 119 0.5 . 1 . . . . . 687 TRP CE3 . 12019 1 198 . 1 1 34 34 TRP CG C 13 113.7 0.5 . 1 . . . . . 687 TRP CG . 12019 1 199 . 1 1 34 34 TRP CH2 C 13 123 0.5 . 1 . . . . . 687 TRP CH2 . 12019 1 200 . 1 1 34 34 TRP CZ2 C 13 113.9 0.5 . 1 . . . . . 687 TRP CZ2 . 12019 1 201 . 1 1 34 34 TRP CZ3 C 13 120.6 0.5 . 1 . . . . . 687 TRP CZ3 . 12019 1 202 . 1 1 34 34 TRP N N 15 122.5 2 . 1 . . . . . 687 TRP N . 12019 1 203 . 1 1 35 35 GLU C C 13 175.8 0.5 . 1 . . . . . 688 GLU C . 12019 1 204 . 1 1 35 35 GLU CA C 13 55 0.5 . 1 . . . . . 688 GLU CA . 12019 1 205 . 1 1 35 35 GLU CB C 13 32.7 0.5 . 1 . . . . . 688 GLU CB . 12019 1 206 . 1 1 36 36 PRO C C 13 177 0.5 . 1 . . . . . 689 PRO C . 12019 1 207 . 1 1 36 36 PRO CA C 13 65.3 0.5 . 1 . . . . . 689 PRO CA . 12019 1 208 . 1 1 36 36 PRO CB C 13 30.9 0.5 . 1 . . . . . 689 PRO CB . 12019 1 209 . 1 1 36 36 PRO CD C 13 46.9 0.5 . 1 . . . . . 689 PRO CD . 12019 1 210 . 1 1 36 36 PRO CG C 13 27.1 0.5 . 1 . . . . . 689 PRO CG . 12019 1 211 . 1 1 36 36 PRO N N 15 130.1 2 . 1 . . . . . 689 PRO N . 12019 1 212 . 1 1 37 37 SER C C 13 176.5 0.5 . 1 . . . . . 690 SER C . 12019 1 213 . 1 1 37 37 SER CA C 13 59.3 0.5 . 1 . . . . . 690 SER CA . 12019 1 214 . 1 1 37 37 SER CB C 13 62.5 0.5 . 1 . . . . . 690 SER CB . 12019 1 215 . 1 1 37 37 SER N N 15 102.2 2 . 1 . . . . . 690 SER N . 12019 1 216 . 1 1 38 38 ASN C C 13 176 0.5 . 1 . . . . . 691 ASN C . 12019 1 217 . 1 1 38 38 ASN CA C 13 53.3 0.5 . 1 . . . . . 691 ASN CA . 12019 1 218 . 1 1 38 38 ASN CB C 13 40.3 0.5 . 1 . . . . . 691 ASN CB . 12019 1 219 . 1 1 38 38 ASN CG C 13 176 0.5 . 1 . . . . . 691 ASN CG . 12019 1 220 . 1 1 38 38 ASN N N 15 119.9 2 . 1 . . . . . 691 ASN N . 12019 1 221 . 1 1 38 38 ASN ND2 N 15 114.1 2 . 1 . . . . . 691 ASN ND2 . 12019 1 222 . 1 1 39 39 VAL C C 13 173.8 0.5 . 1 . . . . . 692 VAL C . 12019 1 223 . 1 1 39 39 VAL CA C 13 57.4 0.5 . 1 . . . . . 692 VAL CA . 12019 1 224 . 1 1 39 39 VAL CB C 13 33.4 0.5 . 1 . . . . . 692 VAL CB . 12019 1 225 . 1 1 39 39 VAL CG1 C 13 23.3 0.5 . 1 . . . . . 692 VAL CG1 . 12019 1 226 . 1 1 39 39 VAL CG2 C 13 21.7 0.5 . 1 . . . . . 692 VAL CG2 . 12019 1 227 . 1 1 39 39 VAL N N 15 109.3 2 . 1 . . . . . 692 VAL N . 12019 1 228 . 1 1 40 40 PRO C C 13 177 0.5 . 1 . . . . . 693 PRO C . 12019 1 229 . 1 1 40 40 PRO CA C 13 64 0.5 . 1 . . . . . 693 PRO CA . 12019 1 230 . 1 1 40 40 PRO CB C 13 31.8 0.5 . 1 . . . . . 693 PRO CB . 12019 1 231 . 1 1 40 40 PRO CD C 13 50.4 0.5 . 1 . . . . . 693 PRO CD . 12019 1 232 . 1 1 40 40 PRO CG C 13 27.5 0.5 . 1 . . . . . 693 PRO CG . 12019 1 233 . 1 1 40 40 PRO N N 15 139.9 2 . 1 . . . . . 693 PRO N . 12019 1 234 . 1 1 41 41 ALA C C 13 178.2 0.5 . 1 . . . . . 694 ALA C . 12019 1 235 . 1 1 41 41 ALA CA C 13 53.2 0.5 . 1 . . . . . 694 ALA CA . 12019 1 236 . 1 1 41 41 ALA CB C 13 19 0.5 . 1 . . . . . 694 ALA CB . 12019 1 237 . 1 1 41 41 ALA N N 15 115.9 2 . 1 . . . . . 694 ALA N . 12019 1 238 . 1 1 42 42 LEU C C 13 176.3 0.5 . 1 . . . . . 695 LEU C . 12019 1 239 . 1 1 42 42 LEU CA C 13 55.3 0.5 . 1 . . . . . 695 LEU CA . 12019 1 240 . 1 1 42 42 LEU CB C 13 44.1 0.5 . 1 . . . . . 695 LEU CB . 12019 1 241 . 1 1 42 42 LEU CD1 C 13 22.8 0.5 . 2 . . . . . 695 LEU CD1 . 12019 1 242 . 1 1 42 42 LEU CD2 C 13 24.3 0.5 . 2 . . . . . 695 LEU CD2 . 12019 1 243 . 1 1 42 42 LEU CG C 13 26.5 0.5 . 1 . . . . . 695 LEU CG . 12019 1 244 . 1 1 42 42 LEU N N 15 113.4 2 . 1 . . . . . 695 LEU N . 12019 1 245 . 1 1 43 43 TRP C C 13 174.3 0.5 . 1 . . . . . 696 TRP C . 12019 1 246 . 1 1 43 43 TRP CA C 13 55.2 0.5 . 1 . . . . . 696 TRP CA . 12019 1 247 . 1 1 43 43 TRP CB C 13 34.5 0.5 . 1 . . . . . 696 TRP CB . 12019 1 248 . 1 1 43 43 TRP CD1 C 13 127.1 0.5 . 1 . . . . . 696 TRP CD1 . 12019 1 249 . 1 1 43 43 TRP CD2 C 13 130.6 0.5 . 1 . . . . . 696 TRP CD2 . 12019 1 250 . 1 1 43 43 TRP CE2 C 13 138.5 0.5 . 1 . . . . . 696 TRP CE2 . 12019 1 251 . 1 1 43 43 TRP CE3 C 13 119.6 0.5 . 1 . . . . . 696 TRP CE3 . 12019 1 252 . 1 1 43 43 TRP CG C 13 111.1 0.5 . 1 . . . . . 696 TRP CG . 12019 1 253 . 1 1 43 43 TRP CH2 C 13 125.8 0.5 . 1 . . . . . 696 TRP CH2 . 12019 1 254 . 1 1 43 43 TRP CZ2 C 13 113.8 0.5 . 1 . . . . . 696 TRP CZ2 . 12019 1 255 . 1 1 43 43 TRP CZ3 C 13 119.8 0.5 . 1 . . . . . 696 TRP CZ3 . 12019 1 256 . 1 1 43 43 TRP N N 15 118.7 2 . 1 . . . . . 696 TRP N . 12019 1 257 . 1 1 44 44 GLN C C 13 176.7 3 . 1 . . . . . 697 GLN C . 12019 1 258 . 1 1 44 44 GLN CA C 13 51.8 0.5 . 1 . . . . . 697 GLN CA . 12019 1 259 . 1 1 44 44 GLN CB C 13 32.5 0.5 . 1 . . . . . 697 GLN CB . 12019 1 260 . 1 1 44 44 GLN CD C 13 181.2 0.5 . 1 . . . . . 697 GLN CD . 12019 1 261 . 1 1 44 44 GLN CG C 13 33.8 0.5 . 1 . . . . . 697 GLN CG . 12019 1 262 . 1 1 44 44 GLN N N 15 122.8 7 . 1 . . . . . 697 GLN N . 12019 1 263 . 1 1 45 45 LEU C C 13 175.9 0.5 . 1 . . . . . 698 LEU C . 12019 1 264 . 1 1 45 45 LEU CA C 13 57.2 0.5 . 1 . . . . . 698 LEU CA . 12019 1 265 . 1 1 45 45 LEU CB C 13 43.8 0.5 . 1 . . . . . 698 LEU CB . 12019 1 266 . 1 1 45 45 LEU CD1 C 13 22.6 0.5 . 2 . . . . . 698 LEU CD1 . 12019 1 267 . 1 1 45 45 LEU CD2 C 13 24.5 0.5 . 2 . . . . . 698 LEU CD2 . 12019 1 268 . 1 1 45 45 LEU CG C 13 26.7 0.5 . 1 . . . . . 698 LEU CG . 12019 1 269 . 1 1 45 45 LEU N N 15 135.7 12 . 1 . . . . . 698 LEU N . 12019 1 270 . 1 1 46 46 GLN CA C 13 54 0.5 . 1 . . . . . 699 GLN CA . 12019 1 271 . 1 1 46 46 GLN CB C 13 36.8 0.5 . 1 . . . . . 699 GLN CB . 12019 1 272 . 1 1 46 46 GLN CD C 13 181.1 0.5 . 1 . . . . . 699 GLN CD . 12019 1 273 . 1 1 46 46 GLN CG C 13 31.1 0.5 . 1 . . . . . 699 GLN CG . 12019 1 274 . 1 1 46 46 GLN N N 15 130.3 11 . 1 . . . . . 699 GLN N . 12019 1 stop_ save_