################################### # 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 28039 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.20 _Assigned_chem_shift_list.Chem_shift_15N_err 0.20 _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' . . . 28039 1 2 '3D HNCO' . . . 28039 1 3 '3D HNCACB' . . . 28039 1 4 '3D CBCA(CO)NH' . . . 28039 1 5 '3D C(CO)NH' . . . 28039 1 6 '2D 1H-13C ctHSQC' . . . 28039 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 $NMRViewJ . . 28039 1 2 $TOPSPIN . . 28039 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 2 2 ALA C C 13 177.93 0.20 . 1 . . . . . 697 ALA C . 28039 1 2 . 1 . 1 2 2 ALA CA C 13 52.68 0.20 . 1 . . . . . 697 ALA CA . 28039 1 3 . 1 . 1 2 2 ALA CB C 13 19.44 0.20 . 1 . . . . . 697 ALA CB . 28039 1 4 . 1 . 1 3 3 MET H H 1 8.60 0.03 . 1 . . . . . 698 MET H . 28039 1 5 . 1 . 1 3 3 MET C C 13 176.81 0.20 . 1 . . . . . 698 MET C . 28039 1 6 . 1 . 1 3 3 MET CA C 13 55.70 0.20 . 1 . . . . . 698 MET CA . 28039 1 7 . 1 . 1 3 3 MET CB C 13 32.77 0.20 . 1 . . . . . 698 MET CB . 28039 1 8 . 1 . 1 3 3 MET N N 15 119.80 0.20 . 1 . . . . . 698 MET N . 28039 1 9 . 1 . 1 4 4 GLY H H 1 8.51 0.03 . 1 . . . . . 699 GLY H . 28039 1 10 . 1 . 1 4 4 GLY C C 13 173.99 0.20 . 1 . . . . . 699 GLY C . 28039 1 11 . 1 . 1 4 4 GLY CA C 13 45.34 0.20 . 1 . . . . . 699 GLY CA . 28039 1 12 . 1 . 1 4 4 GLY N N 15 110.35 0.20 . 1 . . . . . 699 GLY N . 28039 1 13 . 1 . 1 5 5 ARG H H 1 8.29 0.03 . 1 . . . . . 700 ARG H . 28039 1 14 . 1 . 1 5 5 ARG C C 13 176.54 0.20 . 1 . . . . . 700 ARG C . 28039 1 15 . 1 . 1 5 5 ARG CA C 13 56.24 0.20 . 1 . . . . . 700 ARG CA . 28039 1 16 . 1 . 1 5 5 ARG CB C 13 31.13 0.20 . 1 . . . . . 700 ARG CB . 28039 1 17 . 1 . 1 5 5 ARG N N 15 121.05 0.20 . 1 . . . . . 700 ARG N . 28039 1 18 . 1 . 1 6 6 ARG H H 1 8.58 0.03 . 1 . . . . . 701 ARG H . 28039 1 19 . 1 . 1 6 6 ARG C C 13 176.38 0.20 . 1 . . . . . 701 ARG C . 28039 1 20 . 1 . 1 6 6 ARG CA C 13 56.17 0.20 . 1 . . . . . 701 ARG CA . 28039 1 21 . 1 . 1 6 6 ARG CB C 13 30.91 0.20 . 1 . . . . . 701 ARG CB . 28039 1 22 . 1 . 1 6 6 ARG N N 15 122.81 0.20 . 1 . . . . . 701 ARG N . 28039 1 23 . 1 . 1 7 7 ASP H H 1 8.35 0.03 . 1 . . . . . 702 ASP H . 28039 1 24 . 1 . 1 7 7 ASP C C 13 176.08 0.20 . 1 . . . . . 702 ASP C . 28039 1 25 . 1 . 1 7 7 ASP CA C 13 54.59 0.20 . 1 . . . . . 702 ASP CA . 28039 1 26 . 1 . 1 7 7 ASP CB C 13 40.95 0.20 . 1 . . . . . 702 ASP CB . 28039 1 27 . 1 . 1 7 7 ASP N N 15 121.68 0.20 . 1 . . . . . 702 ASP N . 28039 1 28 . 1 . 1 8 8 ASN H H 1 8.33 0.03 . 1 . . . . . 703 ASN H . 28039 1 29 . 1 . 1 8 8 ASN C C 13 176.06 0.20 . 1 . . . . . 703 ASN C . 28039 1 30 . 1 . 1 8 8 ASN CA C 13 54.23 0.20 . 1 . . . . . 703 ASN CA . 28039 1 31 . 1 . 1 8 8 ASN CB C 13 39.04 0.20 . 1 . . . . . 703 ASN CB . 28039 1 32 . 1 . 1 8 8 ASN N N 15 118.28 0.20 . 1 . . . . . 703 ASN N . 28039 1 33 . 1 . 1 9 9 GLU H H 1 8.40 0.03 . 1 . . . . . 704 GLU H . 28039 1 34 . 1 . 1 9 9 GLU C C 13 176.45 0.20 . 1 . . . . . 704 GLU C . 28039 1 35 . 1 . 1 9 9 GLU CA C 13 57.89 0.20 . 1 . . . . . 704 GLU CA . 28039 1 36 . 1 . 1 9 9 GLU CB C 13 29.78 0.20 . 1 . . . . . 704 GLU CB . 28039 1 37 . 1 . 1 9 9 GLU N N 15 121.42 0.20 . 1 . . . . . 704 GLU N . 28039 1 38 . 1 . 1 10 10 LEU H H 1 7.93 0.03 . 1 . . . . . 705 LEU H . 28039 1 39 . 1 . 1 10 10 LEU C C 13 177.22 0.20 . 1 . . . . . 705 LEU C . 28039 1 40 . 1 . 1 10 10 LEU CA C 13 55.86 0.20 . 1 . . . . . 705 LEU CA . 28039 1 41 . 1 . 1 10 10 LEU CB C 13 43.85 0.20 . 1 . . . . . 705 LEU CB . 28039 1 42 . 1 . 1 10 10 LEU N N 15 120.43 0.20 . 1 . . . . . 705 LEU N . 28039 1 43 . 1 . 1 11 11 ILE H H 1 7.48 0.03 . 1 . . . . . 706 ILE H . 28039 1 44 . 1 . 1 11 11 ILE C C 13 177.34 0.20 . 1 . . . . . 706 ILE C . 28039 1 45 . 1 . 1 11 11 ILE CA C 13 64.43 0.20 . 1 . . . . . 706 ILE CA . 28039 1 46 . 1 . 1 11 11 ILE CB C 13 36.88 0.20 . 1 . . . . . 706 ILE CB . 28039 1 47 . 1 . 1 11 11 ILE N N 15 116.69 0.20 . 1 . . . . . 706 ILE N . 28039 1 48 . 1 . 1 12 12 GLY H H 1 9.02 0.03 . 1 . . . . . 707 GLY H . 28039 1 49 . 1 . 1 12 12 GLY C C 13 174.79 0.20 . 1 . . . . . 707 GLY C . 28039 1 50 . 1 . 1 12 12 GLY CA C 13 44.81 0.20 . 1 . . . . . 707 GLY CA . 28039 1 51 . 1 . 1 12 12 GLY N N 15 115.57 0.20 . 1 . . . . . 707 GLY N . 28039 1 52 . 1 . 1 13 13 GLN H H 1 8.21 0.03 . 1 . . . . . 708 GLN H . 28039 1 53 . 1 . 1 13 13 GLN C C 13 175.84 0.20 . 1 . . . . . 708 GLN C . 28039 1 54 . 1 . 1 13 13 GLN CA C 13 56.30 0.20 . 1 . . . . . 708 GLN CA . 28039 1 55 . 1 . 1 13 13 GLN CB C 13 29.05 0.20 . 1 . . . . . 708 GLN CB . 28039 1 56 . 1 . 1 13 13 GLN N N 15 119.75 0.20 . 1 . . . . . 708 GLN N . 28039 1 57 . 1 . 1 14 14 THR H H 1 8.82 0.03 . 1 . . . . . 709 THR H . 28039 1 58 . 1 . 1 14 14 THR C C 13 174.49 0.20 . 1 . . . . . 709 THR C . 28039 1 59 . 1 . 1 14 14 THR CA C 13 63.08 0.20 . 1 . . . . . 709 THR CA . 28039 1 60 . 1 . 1 14 14 THR CB C 13 68.92 0.20 . 1 . . . . . 709 THR CB . 28039 1 61 . 1 . 1 14 14 THR N N 15 119.84 0.20 . 1 . . . . . 709 THR N . 28039 1 62 . 1 . 1 15 15 VAL H H 1 9.28 0.03 . 1 . . . . . 710 VAL H . 28039 1 63 . 1 . 1 15 15 VAL C C 13 172.76 0.20 . 1 . . . . . 710 VAL C . 28039 1 64 . 1 . 1 15 15 VAL CA C 13 58.40 0.20 . 1 . . . . . 710 VAL CA . 28039 1 65 . 1 . 1 15 15 VAL CB C 13 36.31 0.20 . 1 . . . . . 710 VAL CB . 28039 1 66 . 1 . 1 15 15 VAL N N 15 118.95 0.20 . 1 . . . . . 710 VAL N . 28039 1 67 . 1 . 1 16 16 ARG H H 1 8.90 0.03 . 1 . . . . . 711 ARG H . 28039 1 68 . 1 . 1 16 16 ARG C C 13 175.95 0.20 . 1 . . . . . 711 ARG C . 28039 1 69 . 1 . 1 16 16 ARG CA C 13 53.59 0.20 . 1 . . . . . 711 ARG CA . 28039 1 70 . 1 . 1 16 16 ARG CB C 13 33.74 0.20 . 1 . . . . . 711 ARG CB . 28039 1 71 . 1 . 1 16 16 ARG N N 15 119.91 0.20 . 1 . . . . . 711 ARG N . 28039 1 72 . 1 . 1 17 17 ILE H H 1 8.45 0.03 . 1 . . . . . 712 ILE H . 28039 1 73 . 1 . 1 17 17 ILE C C 13 178.26 0.20 . 1 . . . . . 712 ILE C . 28039 1 74 . 1 . 1 17 17 ILE CA C 13 61.50 0.20 . 1 . . . . . 712 ILE CA . 28039 1 75 . 1 . 1 17 17 ILE CB C 13 36.46 0.20 . 1 . . . . . 712 ILE CB . 28039 1 76 . 1 . 1 17 17 ILE N N 15 127.26 0.20 . 1 . . . . . 712 ILE N . 28039 1 77 . 1 . 1 18 18 SER H H 1 9.33 0.03 . 1 . . . . . 713 SER H . 28039 1 78 . 1 . 1 18 18 SER C C 13 174.41 0.20 . 1 . . . . . 713 SER C . 28039 1 79 . 1 . 1 18 18 SER CA C 13 59.67 0.20 . 1 . . . . . 713 SER CA . 28039 1 80 . 1 . 1 18 18 SER CB C 13 65.15 0.20 . 1 . . . . . 713 SER CB . 28039 1 81 . 1 . 1 18 18 SER N N 15 123.76 0.20 . 1 . . . . . 713 SER N . 28039 1 82 . 1 . 1 19 19 GLN H H 1 7.31 0.03 . 1 . . . . . 714 GLN H . 28039 1 83 . 1 . 1 19 19 GLN C C 13 174.46 0.20 . 1 . . . . . 714 GLN C . 28039 1 84 . 1 . 1 19 19 GLN CA C 13 55.39 0.20 . 1 . . . . . 714 GLN CA . 28039 1 85 . 1 . 1 19 19 GLN CB C 13 33.90 0.20 . 1 . . . . . 714 GLN CB . 28039 1 86 . 1 . 1 19 19 GLN N N 15 117.90 0.20 . 1 . . . . . 714 GLN N . 28039 1 87 . 1 . 1 20 20 GLY H H 1 9.01 0.03 . 1 . . . . . 715 GLY H . 28039 1 88 . 1 . 1 20 20 GLY CA C 13 44.93 0.20 . 1 . . . . . 715 GLY CA . 28039 1 89 . 1 . 1 20 20 GLY N N 15 110.70 0.20 . 1 . . . . . 715 GLY N . 28039 1 90 . 1 . 1 23 23 LYS C C 13 177.96 0.20 . 1 . . . . . 718 LYS C . 28039 1 91 . 1 . 1 23 23 LYS CA C 13 58.58 0.20 . 1 . . . . . 718 LYS CA . 28039 1 92 . 1 . 1 23 23 LYS CB C 13 32.37 0.20 . 1 . . . . . 718 LYS CB . 28039 1 93 . 1 . 1 24 24 GLY H H 1 9.33 0.03 . 1 . . . . . 719 GLY H . 28039 1 94 . 1 . 1 24 24 GLY C C 13 174.63 0.20 . 1 . . . . . 719 GLY C . 28039 1 95 . 1 . 1 24 24 GLY CA C 13 45.22 0.20 . 1 . . . . . 719 GLY CA . 28039 1 96 . 1 . 1 24 24 GLY N N 15 114.70 0.20 . 1 . . . . . 719 GLY N . 28039 1 97 . 1 . 1 25 25 TYR H H 1 8.62 0.03 . 1 . . . . . 720 TYR H . 28039 1 98 . 1 . 1 25 25 TYR C C 13 174.88 0.20 . 1 . . . . . 720 TYR C . 28039 1 99 . 1 . 1 25 25 TYR CA C 13 59.28 0.20 . 1 . . . . . 720 TYR CA . 28039 1 100 . 1 . 1 25 25 TYR CB C 13 38.63 0.20 . 1 . . . . . 720 TYR CB . 28039 1 101 . 1 . 1 25 25 TYR N N 15 121.57 0.20 . 1 . . . . . 720 TYR N . 28039 1 102 . 1 . 1 26 26 ILE H H 1 8.01 0.03 . 1 . . . . . 721 ILE H . 28039 1 103 . 1 . 1 26 26 ILE C C 13 176.88 0.20 . 1 . . . . . 721 ILE C . 28039 1 104 . 1 . 1 26 26 ILE CA C 13 58.49 0.20 . 1 . . . . . 721 ILE CA . 28039 1 105 . 1 . 1 26 26 ILE CB C 13 40.35 0.20 . 1 . . . . . 721 ILE CB . 28039 1 106 . 1 . 1 26 26 ILE N N 15 117.67 0.20 . 1 . . . . . 721 ILE N . 28039 1 107 . 1 . 1 27 27 GLY H H 1 8.86 0.03 . 1 . . . . . 722 GLY H . 28039 1 108 . 1 . 1 27 27 GLY C C 13 170.20 0.20 . 1 . . . . . 722 GLY C . 28039 1 109 . 1 . 1 27 27 GLY CA C 13 46.15 0.20 . 1 . . . . . 722 GLY CA . 28039 1 110 . 1 . 1 27 27 GLY N N 15 111.79 0.20 . 1 . . . . . 722 GLY N . 28039 1 111 . 1 . 1 28 28 VAL H H 1 8.29 0.03 . 1 . . . . . 723 VAL H . 28039 1 112 . 1 . 1 28 28 VAL C C 13 175.95 0.20 . 1 . . . . . 723 VAL C . 28039 1 113 . 1 . 1 28 28 VAL CA C 13 59.80 0.20 . 1 . . . . . 723 VAL CA . 28039 1 114 . 1 . 1 28 28 VAL CB C 13 35.28 0.20 . 1 . . . . . 723 VAL CB . 28039 1 115 . 1 . 1 28 28 VAL N N 15 118.14 0.20 . 1 . . . . . 723 VAL N . 28039 1 116 . 1 . 1 29 29 VAL H H 1 8.51 0.03 . 1 . . . . . 724 VAL H . 28039 1 117 . 1 . 1 29 29 VAL C C 13 176.65 0.20 . 1 . . . . . 724 VAL C . 28039 1 118 . 1 . 1 29 29 VAL CA C 13 64.07 0.20 . 1 . . . . . 724 VAL CA . 28039 1 119 . 1 . 1 29 29 VAL CB C 13 31.17 0.20 . 1 . . . . . 724 VAL CB . 28039 1 120 . 1 . 1 29 29 VAL N N 15 126.43 0.20 . 1 . . . . . 724 VAL N . 28039 1 121 . 1 . 1 30 30 LYS H H 1 9.37 0.03 . 1 . . . . . 725 LYS H . 28039 1 122 . 1 . 1 30 30 LYS C C 13 175.83 0.20 . 1 . . . . . 725 LYS C . 28039 1 123 . 1 . 1 30 30 LYS CA C 13 55.47 0.20 . 1 . . . . . 725 LYS CA . 28039 1 124 . 1 . 1 30 30 LYS CB C 13 32.90 0.20 . 1 . . . . . 725 LYS CB . 28039 1 125 . 1 . 1 30 30 LYS N N 15 130.59 0.20 . 1 . . . . . 725 LYS N . 28039 1 126 . 1 . 1 31 31 ASP H H 1 7.91 0.03 . 1 . . . . . 726 ASP H . 28039 1 127 . 1 . 1 31 31 ASP C C 13 173.43 0.20 . 1 . . . . . 726 ASP C . 28039 1 128 . 1 . 1 31 31 ASP CA C 13 53.24 0.20 . 1 . . . . . 726 ASP CA . 28039 1 129 . 1 . 1 31 31 ASP CB C 13 43.51 0.20 . 1 . . . . . 726 ASP CB . 28039 1 130 . 1 . 1 31 31 ASP N N 15 115.04 0.20 . 1 . . . . . 726 ASP N . 28039 1 131 . 1 . 1 32 32 ALA H H 1 8.54 0.03 . 1 . . . . . 727 ALA H . 28039 1 132 . 1 . 1 32 32 ALA C C 13 176.15 0.20 . 1 . . . . . 727 ALA C . 28039 1 133 . 1 . 1 32 32 ALA CA C 13 53.14 0.20 . 1 . . . . . 727 ALA CA . 28039 1 134 . 1 . 1 32 32 ALA CB C 13 22.37 0.20 . 1 . . . . . 727 ALA CB . 28039 1 135 . 1 . 1 32 32 ALA N N 15 121.85 0.20 . 1 . . . . . 727 ALA N . 28039 1 136 . 1 . 1 33 33 THR H H 1 8.88 0.03 . 1 . . . . . 728 THR H . 28039 1 137 . 1 . 1 33 33 THR C C 13 174.66 0.20 . 1 . . . . . 728 THR C . 28039 1 138 . 1 . 1 33 33 THR CA C 13 59.63 0.20 . 1 . . . . . 728 THR CA . 28039 1 139 . 1 . 1 33 33 THR CB C 13 71.36 0.20 . 1 . . . . . 728 THR CB . 28039 1 140 . 1 . 1 33 33 THR N N 15 113.42 0.20 . 1 . . . . . 728 THR N . 28039 1 141 . 1 . 1 34 34 GLU H H 1 9.03 0.03 . 1 . . . . . 729 GLU H . 28039 1 142 . 1 . 1 34 34 GLU C C 13 177.11 0.20 . 1 . . . . . 729 GLU C . 28039 1 143 . 1 . 1 34 34 GLU CA C 13 59.60 0.20 . 1 . . . . . 729 GLU CA . 28039 1 144 . 1 . 1 34 34 GLU CB C 13 29.16 0.20 . 1 . . . . . 729 GLU CB . 28039 1 145 . 1 . 1 34 34 GLU N N 15 118.45 0.20 . 1 . . . . . 729 GLU N . 28039 1 146 . 1 . 1 35 35 SER H H 1 8.14 0.03 . 1 . . . . . 730 SER H . 28039 1 147 . 1 . 1 35 35 SER C C 13 175.41 0.20 . 1 . . . . . 730 SER C . 28039 1 148 . 1 . 1 35 35 SER CA C 13 59.02 0.20 . 1 . . . . . 730 SER CA . 28039 1 149 . 1 . 1 35 35 SER CB C 13 65.70 0.20 . 1 . . . . . 730 SER CB . 28039 1 150 . 1 . 1 35 35 SER N N 15 109.12 0.20 . 1 . . . . . 730 SER N . 28039 1 151 . 1 . 1 36 36 THR H H 1 7.76 0.03 . 1 . . . . . 731 THR H . 28039 1 152 . 1 . 1 36 36 THR C C 13 171.64 0.20 . 1 . . . . . 731 THR C . 28039 1 153 . 1 . 1 36 36 THR CA C 13 61.72 0.20 . 1 . . . . . 731 THR CA . 28039 1 154 . 1 . 1 36 36 THR CB C 13 72.57 0.20 . 1 . . . . . 731 THR CB . 28039 1 155 . 1 . 1 36 36 THR N N 15 117.53 0.20 . 1 . . . . . 731 THR N . 28039 1 156 . 1 . 1 37 37 ALA H H 1 9.31 0.03 . 1 . . . . . 732 ALA H . 28039 1 157 . 1 . 1 37 37 ALA C C 13 174.92 0.20 . 1 . . . . . 732 ALA C . 28039 1 158 . 1 . 1 37 37 ALA CA C 13 50.66 0.20 . 1 . . . . . 732 ALA CA . 28039 1 159 . 1 . 1 37 37 ALA CB C 13 23.01 0.20 . 1 . . . . . 732 ALA CB . 28039 1 160 . 1 . 1 37 37 ALA N N 15 125.30 0.20 . 1 . . . . . 732 ALA N . 28039 1 161 . 1 . 1 38 38 ARG H H 1 8.56 0.03 . 1 . . . . . 733 ARG H . 28039 1 162 . 1 . 1 38 38 ARG C C 13 175.46 0.20 . 1 . . . . . 733 ARG C . 28039 1 163 . 1 . 1 38 38 ARG CA C 13 54.47 0.20 . 1 . . . . . 733 ARG CA . 28039 1 164 . 1 . 1 38 38 ARG CB C 13 30.62 0.20 . 1 . . . . . 733 ARG CB . 28039 1 165 . 1 . 1 38 38 ARG N N 15 121.46 0.20 . 1 . . . . . 733 ARG N . 28039 1 166 . 1 . 1 39 39 VAL H H 1 9.28 0.03 . 1 . . . . . 734 VAL H . 28039 1 167 . 1 . 1 39 39 VAL C C 13 173.90 0.20 . 1 . . . . . 734 VAL C . 28039 1 168 . 1 . 1 39 39 VAL CA C 13 60.69 0.20 . 1 . . . . . 734 VAL CA . 28039 1 169 . 1 . 1 39 39 VAL CB C 13 34.81 0.20 . 1 . . . . . 734 VAL CB . 28039 1 170 . 1 . 1 39 39 VAL N N 15 126.15 0.20 . 1 . . . . . 734 VAL N . 28039 1 171 . 1 . 1 40 40 GLU H H 1 9.06 0.03 . 1 . . . . . 735 GLU H . 28039 1 172 . 1 . 1 40 40 GLU C C 13 176.41 0.20 . 1 . . . . . 735 GLU C . 28039 1 173 . 1 . 1 40 40 GLU CA C 13 54.92 0.20 . 1 . . . . . 735 GLU CA . 28039 1 174 . 1 . 1 40 40 GLU CB C 13 31.48 0.20 . 1 . . . . . 735 GLU CB . 28039 1 175 . 1 . 1 40 40 GLU N N 15 128.76 0.20 . 1 . . . . . 735 GLU N . 28039 1 176 . 1 . 1 41 41 LEU H H 1 8.86 0.03 . 1 . . . . . 736 LEU H . 28039 1 177 . 1 . 1 41 41 LEU C C 13 177.94 0.20 . 1 . . . . . 736 LEU C . 28039 1 178 . 1 . 1 41 41 LEU CA C 13 55.28 0.20 . 1 . . . . . 736 LEU CA . 28039 1 179 . 1 . 1 41 41 LEU CB C 13 41.56 0.20 . 1 . . . . . 736 LEU CB . 28039 1 180 . 1 . 1 41 41 LEU N N 15 129.38 0.20 . 1 . . . . . 736 LEU N . 28039 1 181 . 1 . 1 42 42 HIS H H 1 8.89 0.03 . 1 . . . . . 737 HIS H . 28039 1 182 . 1 . 1 42 42 HIS C C 13 178.21 0.20 . 1 . . . . . 737 HIS C . 28039 1 183 . 1 . 1 42 42 HIS CA C 13 57.99 0.20 . 1 . . . . . 737 HIS CA . 28039 1 184 . 1 . 1 42 42 HIS CB C 13 31.32 0.20 . 1 . . . . . 737 HIS CB . 28039 1 185 . 1 . 1 42 42 HIS N N 15 123.30 0.20 . 1 . . . . . 737 HIS N . 28039 1 186 . 1 . 1 43 43 SER H H 1 9.39 0.03 . 1 . . . . . 738 SER H . 28039 1 187 . 1 . 1 43 43 SER C C 13 175.84 0.20 . 1 . . . . . 738 SER C . 28039 1 188 . 1 . 1 43 43 SER CA C 13 61.51 0.20 . 1 . . . . . 738 SER CA . 28039 1 189 . 1 . 1 43 43 SER CB C 13 63.10 0.20 . 1 . . . . . 738 SER CB . 28039 1 190 . 1 . 1 43 43 SER N N 15 113.37 0.20 . 1 . . . . . 738 SER N . 28039 1 191 . 1 . 1 44 44 THR H H 1 7.50 0.03 . 1 . . . . . 739 THR H . 28039 1 192 . 1 . 1 44 44 THR C C 13 175.04 0.20 . 1 . . . . . 739 THR C . 28039 1 193 . 1 . 1 44 44 THR CA C 13 61.10 0.20 . 1 . . . . . 739 THR CA . 28039 1 194 . 1 . 1 44 44 THR CB C 13 70.55 0.20 . 1 . . . . . 739 THR CB . 28039 1 195 . 1 . 1 44 44 THR N N 15 108.42 0.20 . 1 . . . . . 739 THR N . 28039 1 196 . 1 . 1 45 45 CYS H H 1 8.20 0.03 . 1 . . . . . 740 CYS H . 28039 1 197 . 1 . 1 45 45 CYS C C 13 173.87 0.20 . 1 . . . . . 740 CYS C . 28039 1 198 . 1 . 1 45 45 CYS CA C 13 60.42 0.20 . 1 . . . . . 740 CYS CA . 28039 1 199 . 1 . 1 45 45 CYS CB C 13 25.87 0.20 . 1 . . . . . 740 CYS CB . 28039 1 200 . 1 . 1 45 45 CYS N N 15 116.16 0.20 . 1 . . . . . 740 CYS N . 28039 1 201 . 1 . 1 46 46 GLN H H 1 7.67 0.03 . 1 . . . . . 741 GLN H . 28039 1 202 . 1 . 1 46 46 GLN C C 13 174.93 0.20 . 1 . . . . . 741 GLN C . 28039 1 203 . 1 . 1 46 46 GLN CA C 13 55.09 0.20 . 1 . . . . . 741 GLN CA . 28039 1 204 . 1 . 1 46 46 GLN CB C 13 31.08 0.20 . 1 . . . . . 741 GLN CB . 28039 1 205 . 1 . 1 46 46 GLN N N 15 119.15 0.20 . 1 . . . . . 741 GLN N . 28039 1 206 . 1 . 1 47 47 THR H H 1 8.65 0.03 . 1 . . . . . 742 THR H . 28039 1 207 . 1 . 1 47 47 THR C C 13 174.44 0.20 . 1 . . . . . 742 THR C . 28039 1 208 . 1 . 1 47 47 THR CA C 13 61.89 0.20 . 1 . . . . . 742 THR CA . 28039 1 209 . 1 . 1 47 47 THR CB C 13 69.36 0.20 . 1 . . . . . 742 THR CB . 28039 1 210 . 1 . 1 47 47 THR N N 15 119.53 0.20 . 1 . . . . . 742 THR N . 28039 1 211 . 1 . 1 48 48 ILE H H 1 8.76 0.03 . 1 . . . . . 743 ILE H . 28039 1 212 . 1 . 1 48 48 ILE C C 13 174.66 0.20 . 1 . . . . . 743 ILE C . 28039 1 213 . 1 . 1 48 48 ILE CA C 13 58.96 0.20 . 1 . . . . . 743 ILE CA . 28039 1 214 . 1 . 1 48 48 ILE CB C 13 41.63 0.20 . 1 . . . . . 743 ILE CB . 28039 1 215 . 1 . 1 48 48 ILE N N 15 121.46 0.20 . 1 . . . . . 743 ILE N . 28039 1 216 . 1 . 1 49 49 SER H H 1 8.50 0.03 . 1 . . . . . 744 SER H . 28039 1 217 . 1 . 1 49 49 SER C C 13 174.23 0.20 . 1 . . . . . 744 SER C . 28039 1 218 . 1 . 1 49 49 SER CA C 13 57.48 0.20 . 1 . . . . . 744 SER CA . 28039 1 219 . 1 . 1 49 49 SER CB C 13 64.00 0.20 . 1 . . . . . 744 SER CB . 28039 1 220 . 1 . 1 49 49 SER N N 15 117.93 0.20 . 1 . . . . . 744 SER N . 28039 1 221 . 1 . 1 50 50 VAL H H 1 9.17 0.03 . 1 . . . . . 745 VAL H . 28039 1 222 . 1 . 1 50 50 VAL C C 13 173.88 0.20 . 1 . . . . . 745 VAL C . 28039 1 223 . 1 . 1 50 50 VAL CA C 13 59.84 0.20 . 1 . . . . . 745 VAL CA . 28039 1 224 . 1 . 1 50 50 VAL CB C 13 36.11 0.20 . 1 . . . . . 745 VAL CB . 28039 1 225 . 1 . 1 50 50 VAL N N 15 123.43 0.20 . 1 . . . . . 745 VAL N . 28039 1 226 . 1 . 1 51 51 ASP H H 1 8.48 0.03 . 1 . . . . . 746 ASP H . 28039 1 227 . 1 . 1 51 51 ASP C C 13 178.00 0.20 . 1 . . . . . 746 ASP C . 28039 1 228 . 1 . 1 51 51 ASP CA C 13 55.10 0.20 . 1 . . . . . 746 ASP CA . 28039 1 229 . 1 . 1 51 51 ASP CB C 13 42.07 0.20 . 1 . . . . . 746 ASP CB . 28039 1 230 . 1 . 1 51 51 ASP N N 15 126.11 0.20 . 1 . . . . . 746 ASP N . 28039 1 231 . 1 . 1 52 52 ARG H H 1 8.33 0.03 . 1 . . . . . 747 ARG H . 28039 1 232 . 1 . 1 52 52 ARG C C 13 177.72 0.20 . 1 . . . . . 747 ARG C . 28039 1 233 . 1 . 1 52 52 ARG CA C 13 59.53 0.20 . 1 . . . . . 747 ARG CA . 28039 1 234 . 1 . 1 52 52 ARG CB C 13 30.43 0.20 . 1 . . . . . 747 ARG CB . 28039 1 235 . 1 . 1 52 52 ARG N N 15 125.05 0.20 . 1 . . . . . 747 ARG N . 28039 1 236 . 1 . 1 53 53 GLN H H 1 8.98 0.03 . 1 . . . . . 748 GLN H . 28039 1 237 . 1 . 1 53 53 GLN C C 13 177.05 0.20 . 1 . . . . . 748 GLN C . 28039 1 238 . 1 . 1 53 53 GLN CA C 13 57.46 0.20 . 1 . . . . . 748 GLN CA . 28039 1 239 . 1 . 1 53 53 GLN CB C 13 28.53 0.20 . 1 . . . . . 748 GLN CB . 28039 1 240 . 1 . 1 53 53 GLN N N 15 116.18 0.20 . 1 . . . . . 748 GLN N . 28039 1 241 . 1 . 1 54 54 ARG H H 1 7.97 0.03 . 1 . . . . . 749 ARG H . 28039 1 242 . 1 . 1 54 54 ARG C C 13 173.89 0.20 . 1 . . . . . 749 ARG C . 28039 1 243 . 1 . 1 54 54 ARG CA C 13 55.03 0.20 . 1 . . . . . 749 ARG CA . 28039 1 244 . 1 . 1 54 54 ARG CB C 13 29.48 0.20 . 1 . . . . . 749 ARG CB . 28039 1 245 . 1 . 1 54 54 ARG N N 15 117.51 0.20 . 1 . . . . . 749 ARG N . 28039 1 246 . 1 . 1 55 55 LEU H H 1 7.14 0.03 . 1 . . . . . 750 LEU H . 28039 1 247 . 1 . 1 55 55 LEU C C 13 176.52 0.20 . 1 . . . . . 750 LEU C . 28039 1 248 . 1 . 1 55 55 LEU CA C 13 53.66 0.20 . 1 . . . . . 750 LEU CA . 28039 1 249 . 1 . 1 55 55 LEU CB C 13 44.80 0.20 . 1 . . . . . 750 LEU CB . 28039 1 250 . 1 . 1 55 55 LEU N N 15 116.83 0.20 . 1 . . . . . 750 LEU N . 28039 1 251 . 1 . 1 56 56 THR H H 1 8.68 0.03 . 1 . . . . . 751 THR H . 28039 1 252 . 1 . 1 56 56 THR C C 13 174.07 0.20 . 1 . . . . . 751 THR C . 28039 1 253 . 1 . 1 56 56 THR CA C 13 60.48 0.20 . 1 . . . . . 751 THR CA . 28039 1 254 . 1 . 1 56 56 THR CB C 13 71.39 0.20 . 1 . . . . . 751 THR CB . 28039 1 255 . 1 . 1 56 56 THR N N 15 115.88 0.20 . 1 . . . . . 751 THR N . 28039 1 256 . 1 . 1 57 57 THR H H 1 8.62 0.03 . 1 . . . . . 752 THR H . 28039 1 257 . 1 . 1 57 57 THR C C 13 174.93 0.20 . 1 . . . . . 752 THR C . 28039 1 258 . 1 . 1 57 57 THR CA C 13 62.99 0.20 . 1 . . . . . 752 THR CA . 28039 1 259 . 1 . 1 57 57 THR CB C 13 69.42 0.20 . 1 . . . . . 752 THR CB . 28039 1 260 . 1 . 1 57 57 THR N N 15 118.21 0.20 . 1 . . . . . 752 THR N . 28039 1 261 . 1 . 1 58 58 VAL H H 1 8.38 0.03 . 1 . . . . . 753 VAL H . 28039 1 262 . 1 . 1 58 58 VAL C C 13 175.39 0.20 . 1 . . . . . 753 VAL C . 28039 1 263 . 1 . 1 58 58 VAL CA C 13 62.52 0.20 . 1 . . . . . 753 VAL CA . 28039 1 264 . 1 . 1 58 58 VAL CB C 13 32.95 0.20 . 1 . . . . . 753 VAL CB . 28039 1 265 . 1 . 1 58 58 VAL N N 15 122.78 0.20 . 1 . . . . . 753 VAL N . 28039 1 266 . 1 . 1 59 59 GLY H H 1 8.04 0.03 . 1 . . . . . 754 GLY H . 28039 1 267 . 1 . 1 59 59 GLY CA C 13 46.21 0.20 . 1 . . . . . 754 GLY CA . 28039 1 268 . 1 . 1 59 59 GLY N N 15 118.77 0.20 . 1 . . . . . 754 GLY N . 28039 1 stop_ save_