################################### # 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 34657 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 34657 1 2 '2D 1H-1H TROSY' . . . 34657 1 3 '2D 1H-13C CT HSQC' . . . 34657 1 4 '2D 1H-13C HSQC' . . . 34657 1 5 '3D HNCA' . . . 34657 1 6 '3D 1H-15N NOESY' . . . 34657 1 7 '2D 1H-13C HSQC aromatic' . . . 34657 1 8 '3D HCCH-TOCSY' . . . 34657 1 9 '3D CBCA(CO)NH' . . . 34657 1 10 '3D HN(CO)CA' . . . 34657 1 11 '3D HNCO' . . . 34657 1 12 '3D 1H-13C NOESY aromatic' . . . 34657 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 ASN HD21 H 1 7.821 0.020 . 1 . . . . A 953 ASN HD21 . 34657 1 2 . 1 . 1 1 1 ASN HD22 H 1 7.013 0.020 . 1 . . . . A 953 ASN HD22 . 34657 1 3 . 1 . 1 1 1 ASN ND2 N 15 112.771 0.3 . 1 . . . . A 953 ASN ND2 . 34657 1 4 . 1 . 1 2 2 ILE H H 1 8.184 0.020 . 1 . . . . A 954 ILE H . 34657 1 5 . 1 . 1 2 2 ILE HA H 1 4.064 0.020 . 1 . . . . A 954 ILE HA . 34657 1 6 . 1 . 1 2 2 ILE HB H 1 2.040 0.020 . 1 . . . . A 954 ILE HB . 34657 1 7 . 1 . 1 2 2 ILE HG12 H 1 1.631 0.020 . 2 . . . . A 954 ILE HG12 . 34657 1 8 . 1 . 1 2 2 ILE HG13 H 1 1.348 0.020 . 2 . . . . A 954 ILE HG13 . 34657 1 9 . 1 . 1 2 2 ILE HG21 H 1 0.999 0.020 . 1 . . . . A 954 ILE HG21 . 34657 1 10 . 1 . 1 2 2 ILE HG22 H 1 0.999 0.020 . 1 . . . . A 954 ILE HG22 . 34657 1 11 . 1 . 1 2 2 ILE HG23 H 1 0.999 0.020 . 1 . . . . A 954 ILE HG23 . 34657 1 12 . 1 . 1 2 2 ILE HD11 H 1 0.981 0.020 . 1 . . . . A 954 ILE HD11 . 34657 1 13 . 1 . 1 2 2 ILE HD12 H 1 0.981 0.020 . 1 . . . . A 954 ILE HD12 . 34657 1 14 . 1 . 1 2 2 ILE HD13 H 1 0.981 0.020 . 1 . . . . A 954 ILE HD13 . 34657 1 15 . 1 . 1 2 2 ILE CA C 13 62.943 0.3 . 1 . . . . A 954 ILE CA . 34657 1 16 . 1 . 1 2 2 ILE CB C 13 38.133 0.3 . 1 . . . . A 954 ILE CB . 34657 1 17 . 1 . 1 2 2 ILE CG1 C 13 28.535 0.3 . 1 . . . . A 954 ILE CG1 . 34657 1 18 . 1 . 1 2 2 ILE CG2 C 13 18.149 0.3 . 1 . . . . A 954 ILE CG2 . 34657 1 19 . 1 . 1 2 2 ILE CD1 C 13 13.475 0.3 . 1 . . . . A 954 ILE CD1 . 34657 1 20 . 1 . 1 2 2 ILE N N 15 119.944 0.3 . 1 . . . . A 954 ILE N . 34657 1 21 . 1 . 1 3 3 ALA H H 1 8.254 0.020 . 1 . . . . A 955 ALA H . 34657 1 22 . 1 . 1 3 3 ALA HA H 1 4.117 0.020 . 1 . . . . A 955 ALA HA . 34657 1 23 . 1 . 1 3 3 ALA HB1 H 1 1.558 0.020 . 1 . . . . A 955 ALA HB1 . 34657 1 24 . 1 . 1 3 3 ALA HB2 H 1 1.558 0.020 . 1 . . . . A 955 ALA HB2 . 34657 1 25 . 1 . 1 3 3 ALA HB3 H 1 1.558 0.020 . 1 . . . . A 955 ALA HB3 . 34657 1 26 . 1 . 1 3 3 ALA C C 13 178.676 0.3 . 1 . . . . A 955 ALA C . 34657 1 27 . 1 . 1 3 3 ALA CA C 13 54.967 0.3 . 1 . . . . A 955 ALA CA . 34657 1 28 . 1 . 1 3 3 ALA CB C 13 18.797 0.3 . 1 . . . . A 955 ALA CB . 34657 1 29 . 1 . 1 3 3 ALA N N 15 123.010 0.3 . 1 . . . . A 955 ALA N . 34657 1 30 . 1 . 1 4 4 LYS H H 1 7.853 0.020 . 1 . . . . A 956 LYS H . 34657 1 31 . 1 . 1 4 4 LYS HA H 1 4.084 0.020 . 1 . . . . A 956 LYS HA . 34657 1 32 . 1 . 1 4 4 LYS HB2 H 1 1.993 0.020 . 1 . . . . A 956 LYS HB2 . 34657 1 33 . 1 . 1 4 4 LYS HB3 H 1 1.993 0.020 . 1 . . . . A 956 LYS HB3 . 34657 1 34 . 1 . 1 4 4 LYS HG2 H 1 1.529 0.020 . 2 . . . . A 956 LYS HG2 . 34657 1 35 . 1 . 1 4 4 LYS HG3 H 1 1.682 0.020 . 2 . . . . A 956 LYS HG3 . 34657 1 36 . 1 . 1 4 4 LYS HD2 H 1 1.851 0.020 . 1 . . . . A 956 LYS HD2 . 34657 1 37 . 1 . 1 4 4 LYS HD3 H 1 1.851 0.020 . 1 . . . . A 956 LYS HD3 . 34657 1 38 . 1 . 1 4 4 LYS HE2 H 1 3.081 0.020 . 1 . . . . A 956 LYS HE2 . 34657 1 39 . 1 . 1 4 4 LYS HE3 H 1 3.081 0.020 . 1 . . . . A 956 LYS HE3 . 34657 1 40 . 1 . 1 4 4 LYS C C 13 177.765 0.3 . 1 . . . . A 956 LYS C . 34657 1 41 . 1 . 1 4 4 LYS CA C 13 59.179 0.3 . 1 . . . . A 956 LYS CA . 34657 1 42 . 1 . 1 4 4 LYS CB C 13 32.995 0.3 . 1 . . . . A 956 LYS CB . 34657 1 43 . 1 . 1 4 4 LYS CG C 13 25.906 0.3 . 1 . . . . A 956 LYS CG . 34657 1 44 . 1 . 1 4 4 LYS CD C 13 29.642 0.3 . 1 . . . . A 956 LYS CD . 34657 1 45 . 1 . 1 4 4 LYS CE C 13 42.157 0.3 . 1 . . . . A 956 LYS CE . 34657 1 46 . 1 . 1 4 4 LYS N N 15 115.008 0.3 . 1 . . . . A 956 LYS N . 34657 1 47 . 1 . 1 5 5 ILE H H 1 7.640 0.020 . 1 . . . . A 957 ILE H . 34657 1 48 . 1 . 1 5 5 ILE HA H 1 4.105 0.020 . 1 . . . . A 957 ILE HA . 34657 1 49 . 1 . 1 5 5 ILE HB H 1 2.112 0.020 . 1 . . . . A 957 ILE HB . 34657 1 50 . 1 . 1 5 5 ILE HG12 H 1 1.701 0.020 . 2 . . . . A 957 ILE HG12 . 34657 1 51 . 1 . 1 5 5 ILE HG13 H 1 1.389 0.020 . 2 . . . . A 957 ILE HG13 . 34657 1 52 . 1 . 1 5 5 ILE HG21 H 1 1.055 0.020 . 1 . . . . A 957 ILE HG21 . 34657 1 53 . 1 . 1 5 5 ILE HG22 H 1 1.055 0.020 . 1 . . . . A 957 ILE HG22 . 34657 1 54 . 1 . 1 5 5 ILE HG23 H 1 1.055 0.020 . 1 . . . . A 957 ILE HG23 . 34657 1 55 . 1 . 1 5 5 ILE HD11 H 1 0.971 0.020 . 1 . . . . A 957 ILE HD11 . 34657 1 56 . 1 . 1 5 5 ILE HD12 H 1 0.971 0.020 . 1 . . . . A 957 ILE HD12 . 34657 1 57 . 1 . 1 5 5 ILE HD13 H 1 0.971 0.020 . 1 . . . . A 957 ILE HD13 . 34657 1 58 . 1 . 1 5 5 ILE C C 13 176.056 0.3 . 1 . . . . A 957 ILE C . 34657 1 59 . 1 . 1 5 5 ILE CA C 13 62.908 0.3 . 1 . . . . A 957 ILE CA . 34657 1 60 . 1 . 1 5 5 ILE CB C 13 38.658 0.3 . 1 . . . . A 957 ILE CB . 34657 1 61 . 1 . 1 5 5 ILE CG1 C 13 28.538 0.3 . 1 . . . . A 957 ILE CG1 . 34657 1 62 . 1 . 1 5 5 ILE CG2 C 13 18.242 0.3 . 1 . . . . A 957 ILE CG2 . 34657 1 63 . 1 . 1 5 5 ILE CD1 C 13 13.784 0.3 . 1 . . . . A 957 ILE CD1 . 34657 1 64 . 1 . 1 5 5 ILE N N 15 115.287 0.3 . 1 . . . . A 957 ILE N . 34657 1 65 . 1 . 1 6 6 ILE H H 1 7.566 0.020 . 1 . . . . A 958 ILE H . 34657 1 66 . 1 . 1 6 6 ILE HA H 1 4.268 0.020 . 1 . . . . A 958 ILE HA . 34657 1 67 . 1 . 1 6 6 ILE HB H 1 2.058 0.020 . 1 . . . . A 958 ILE HB . 34657 1 68 . 1 . 1 6 6 ILE HG12 H 1 1.413 0.020 . 2 . . . . A 958 ILE HG12 . 34657 1 69 . 1 . 1 6 6 ILE HG13 H 1 1.648 0.020 . 2 . . . . A 958 ILE HG13 . 34657 1 70 . 1 . 1 6 6 ILE HG21 H 1 1.028 0.020 . 1 . . . . A 958 ILE HG21 . 34657 1 71 . 1 . 1 6 6 ILE HG22 H 1 1.028 0.020 . 1 . . . . A 958 ILE HG22 . 34657 1 72 . 1 . 1 6 6 ILE HG23 H 1 1.028 0.020 . 1 . . . . A 958 ILE HG23 . 34657 1 73 . 1 . 1 6 6 ILE HD11 H 1 0.918 0.020 . 1 . . . . A 958 ILE HD11 . 34657 1 74 . 1 . 1 6 6 ILE HD12 H 1 0.918 0.020 . 1 . . . . A 958 ILE HD12 . 34657 1 75 . 1 . 1 6 6 ILE HD13 H 1 0.918 0.020 . 1 . . . . A 958 ILE HD13 . 34657 1 76 . 1 . 1 6 6 ILE C C 13 176.531 0.3 . 1 . . . . A 958 ILE C . 34657 1 77 . 1 . 1 6 6 ILE CA C 13 62.269 0.3 . 1 . . . . A 958 ILE CA . 34657 1 78 . 1 . 1 6 6 ILE CB C 13 39.024 0.3 . 1 . . . . A 958 ILE CB . 34657 1 79 . 1 . 1 6 6 ILE CG1 C 13 27.964 0.3 . 1 . . . . A 958 ILE CG1 . 34657 1 80 . 1 . 1 6 6 ILE CG2 C 13 17.964 0.3 . 1 . . . . A 958 ILE CG2 . 34657 1 81 . 1 . 1 6 6 ILE CD1 C 13 13.695 0.3 . 1 . . . . A 958 ILE CD1 . 34657 1 82 . 1 . 1 6 6 ILE N N 15 114.494 0.3 . 1 . . . . A 958 ILE N . 34657 1 83 . 1 . 1 7 7 ILE H H 1 7.832 0.020 . 1 . . . . A 959 ILE H . 34657 1 84 . 1 . 1 7 7 ILE HA H 1 3.963 0.020 . 1 . . . . A 959 ILE HA . 34657 1 85 . 1 . 1 7 7 ILE HB H 1 2.079 0.020 . 1 . . . . A 959 ILE HB . 34657 1 86 . 1 . 1 7 7 ILE HG12 H 1 1.336 0.020 . 2 . . . . A 959 ILE HG12 . 34657 1 87 . 1 . 1 7 7 ILE HG13 H 1 1.726 0.020 . 2 . . . . A 959 ILE HG13 . 34657 1 88 . 1 . 1 7 7 ILE HG21 H 1 1.018 0.020 . 1 . . . . A 959 ILE HG21 . 34657 1 89 . 1 . 1 7 7 ILE HG22 H 1 1.018 0.020 . 1 . . . . A 959 ILE HG22 . 34657 1 90 . 1 . 1 7 7 ILE HG23 H 1 1.018 0.020 . 1 . . . . A 959 ILE HG23 . 34657 1 91 . 1 . 1 7 7 ILE HD11 H 1 0.964 0.020 . 1 . . . . A 959 ILE HD11 . 34657 1 92 . 1 . 1 7 7 ILE HD12 H 1 0.964 0.020 . 1 . . . . A 959 ILE HD12 . 34657 1 93 . 1 . 1 7 7 ILE HD13 H 1 0.964 0.020 . 1 . . . . A 959 ILE HD13 . 34657 1 94 . 1 . 1 7 7 ILE C C 13 176.634 0.3 . 1 . . . . A 959 ILE C . 34657 1 95 . 1 . 1 7 7 ILE CA C 13 63.915 0.3 . 1 . . . . A 959 ILE CA . 34657 1 96 . 1 . 1 7 7 ILE CB C 13 37.837 0.3 . 1 . . . . A 959 ILE CB . 34657 1 97 . 1 . 1 7 7 ILE CG1 C 13 29.000 0.3 . 1 . . . . A 959 ILE CG1 . 34657 1 98 . 1 . 1 7 7 ILE CG2 C 13 18.082 0.3 . 1 . . . . A 959 ILE CG2 . 34657 1 99 . 1 . 1 7 7 ILE CD1 C 13 13.299 0.3 . 1 . . . . A 959 ILE CD1 . 34657 1 100 . 1 . 1 7 7 ILE N N 15 118.449 0.3 . 1 . . . . A 959 ILE N . 34657 1 101 . 1 . 1 8 8 GLY H H 1 8.502 0.020 . 1 . . . . A 960 GLY H . 34657 1 102 . 1 . 1 8 8 GLY HA2 H 1 3.934 0.020 . 2 . . . . A 960 GLY HA2 . 34657 1 103 . 1 . 1 8 8 GLY HA3 H 1 4.033 0.020 . 2 . . . . A 960 GLY HA3 . 34657 1 104 . 1 . 1 8 8 GLY CA C 13 48.183 0.3 . 1 . . . . A 960 GLY CA . 34657 1 105 . 1 . 1 8 8 GLY N N 15 107.076 0.3 . 1 . . . . A 960 GLY N . 34657 1 106 . 1 . 1 9 9 PRO HB2 H 1 2.013 0.020 . 2 . . . . A 961 PRO HB2 . 34657 1 107 . 1 . 1 9 9 PRO HB3 H 1 2.289 0.020 . 2 . . . . A 961 PRO HB3 . 34657 1 108 . 1 . 1 9 9 PRO HG2 H 1 1.930 0.020 . 2 . . . . A 961 PRO HG2 . 34657 1 109 . 1 . 1 9 9 PRO HG3 H 1 2.399 0.020 . 2 . . . . A 961 PRO HG3 . 34657 1 110 . 1 . 1 9 9 PRO HD2 H 1 3.642 0.020 . 2 . . . . A 961 PRO HD2 . 34657 1 111 . 1 . 1 9 9 PRO HD3 H 1 3.920 0.020 . 2 . . . . A 961 PRO HD3 . 34657 1 112 . 1 . 1 9 9 PRO CA C 13 65.910 0.3 . 1 . . . . A 961 PRO CA . 34657 1 113 . 1 . 1 9 9 PRO CB C 13 32.338 0.3 . 1 . . . . A 961 PRO CB . 34657 1 114 . 1 . 1 9 9 PRO CG C 13 28.140 0.3 . 1 . . . . A 961 PRO CG . 34657 1 115 . 1 . 1 9 9 PRO CD C 13 50.721 0.3 . 1 . . . . A 961 PRO CD . 34657 1 116 . 1 . 1 10 10 LEU H H 1 7.963 0.020 . 1 . . . . A 962 LEU H . 34657 1 117 . 1 . 1 10 10 LEU HA H 1 4.151 0.020 . 1 . . . . A 962 LEU HA . 34657 1 118 . 1 . 1 10 10 LEU HB2 H 1 1.987 0.020 . 2 . . . . A 962 LEU HB2 . 34657 1 119 . 1 . 1 10 10 LEU HB3 H 1 1.754 0.020 . 2 . . . . A 962 LEU HB3 . 34657 1 120 . 1 . 1 10 10 LEU HG H 1 1.875 0.020 . 1 . . . . A 962 LEU HG . 34657 1 121 . 1 . 1 10 10 LEU HD11 H 1 0.976 0.020 . 2 . . . . A 962 LEU HD11 . 34657 1 122 . 1 . 1 10 10 LEU HD12 H 1 0.976 0.020 . 2 . . . . A 962 LEU HD12 . 34657 1 123 . 1 . 1 10 10 LEU HD13 H 1 0.976 0.020 . 2 . . . . A 962 LEU HD13 . 34657 1 124 . 1 . 1 10 10 LEU HD21 H 1 0.930 0.020 . 2 . . . . A 962 LEU HD21 . 34657 1 125 . 1 . 1 10 10 LEU HD22 H 1 0.930 0.020 . 2 . . . . A 962 LEU HD22 . 34657 1 126 . 1 . 1 10 10 LEU HD23 H 1 0.930 0.020 . 2 . . . . A 962 LEU HD23 . 34657 1 127 . 1 . 1 10 10 LEU C C 13 178.715 0.3 . 1 . . . . A 962 LEU C . 34657 1 128 . 1 . 1 10 10 LEU CA C 13 58.556 0.3 . 1 . . . . A 962 LEU CA . 34657 1 129 . 1 . 1 10 10 LEU CB C 13 42.096 0.3 . 1 . . . . A 962 LEU CB . 34657 1 130 . 1 . 1 10 10 LEU CG C 13 27.052 0.3 . 1 . . . . A 962 LEU CG . 34657 1 131 . 1 . 1 10 10 LEU CD1 C 13 25.043 0.3 . 1 . . . . A 962 LEU CD1 . 34657 1 132 . 1 . 1 10 10 LEU CD2 C 13 24.217 0.3 . 1 . . . . A 962 LEU CD2 . 34657 1 133 . 1 . 1 10 10 LEU N N 15 115.753 0.3 . 1 . . . . A 962 LEU N . 34657 1 134 . 1 . 1 11 11 ILE H H 1 8.454 0.020 . 1 . . . . A 963 ILE H . 34657 1 135 . 1 . 1 11 11 ILE HA H 1 3.837 0.020 . 1 . . . . A 963 ILE HA . 34657 1 136 . 1 . 1 11 11 ILE HB H 1 2.245 0.020 . 1 . . . . A 963 ILE HB . 34657 1 137 . 1 . 1 11 11 ILE HG12 H 1 1.237 0.020 . 2 . . . . A 963 ILE HG12 . 34657 1 138 . 1 . 1 11 11 ILE HG13 H 1 1.931 0.020 . 2 . . . . A 963 ILE HG13 . 34657 1 139 . 1 . 1 11 11 ILE HG21 H 1 0.969 0.020 . 1 . . . . A 963 ILE HG21 . 34657 1 140 . 1 . 1 11 11 ILE HG22 H 1 0.969 0.020 . 1 . . . . A 963 ILE HG22 . 34657 1 141 . 1 . 1 11 11 ILE HG23 H 1 0.969 0.020 . 1 . . . . A 963 ILE HG23 . 34657 1 142 . 1 . 1 11 11 ILE HD11 H 1 0.924 0.020 . 1 . . . . A 963 ILE HD11 . 34657 1 143 . 1 . 1 11 11 ILE HD12 H 1 0.924 0.020 . 1 . . . . A 963 ILE HD12 . 34657 1 144 . 1 . 1 11 11 ILE HD13 H 1 0.924 0.020 . 1 . . . . A 963 ILE HD13 . 34657 1 145 . 1 . 1 11 11 ILE C C 13 177.995 0.3 . 1 . . . . A 963 ILE C . 34657 1 146 . 1 . 1 11 11 ILE CA C 13 65.381 0.3 . 1 . . . . A 963 ILE CA . 34657 1 147 . 1 . 1 11 11 ILE CB C 13 37.168 0.3 . 1 . . . . A 963 ILE CB . 34657 1 148 . 1 . 1 11 11 ILE CG1 C 13 29.533 0.3 . 1 . . . . A 963 ILE CG1 . 34657 1 149 . 1 . 1 11 11 ILE CG2 C 13 17.661 0.3 . 1 . . . . A 963 ILE CG2 . 34657 1 150 . 1 . 1 11 11 ILE CD1 C 13 13.468 0.3 . 1 . . . . A 963 ILE CD1 . 34657 1 151 . 1 . 1 11 11 ILE N N 15 118.646 0.3 . 1 . . . . A 963 ILE N . 34657 1 152 . 1 . 1 12 12 PHE H H 1 8.226 0.020 . 1 . . . . A 964 PHE H . 34657 1 153 . 1 . 1 12 12 PHE HA H 1 4.233 0.020 . 1 . . . . A 964 PHE HA . 34657 1 154 . 1 . 1 12 12 PHE HB2 H 1 3.189 0.020 . 2 . . . . A 964 PHE HB2 . 34657 1 155 . 1 . 1 12 12 PHE HB3 H 1 3.343 0.020 . 2 . . . . A 964 PHE HB3 . 34657 1 156 . 1 . 1 12 12 PHE HD1 H 1 7.168 0.020 . 1 . . . . A 964 PHE HD1 . 34657 1 157 . 1 . 1 12 12 PHE HD2 H 1 7.168 0.020 . 1 . . . . A 964 PHE HD2 . 34657 1 158 . 1 . 1 12 12 PHE HE1 H 1 7.115 0.020 . 1 . . . . A 964 PHE HE1 . 34657 1 159 . 1 . 1 12 12 PHE HE2 H 1 7.115 0.020 . 1 . . . . A 964 PHE HE2 . 34657 1 160 . 1 . 1 12 12 PHE HZ H 1 7.033 0.020 . 1 . . . . A 964 PHE HZ . 34657 1 161 . 1 . 1 12 12 PHE C C 13 177.085 0.3 . 1 . . . . A 964 PHE C . 34657 1 162 . 1 . 1 12 12 PHE CA C 13 62.515 0.3 . 1 . . . . A 964 PHE CA . 34657 1 163 . 1 . 1 12 12 PHE CB C 13 39.192 0.3 . 1 . . . . A 964 PHE CB . 34657 1 164 . 1 . 1 12 12 PHE CD1 C 13 131.435 0.3 . 1 . . . . A 964 PHE CD1 . 34657 1 165 . 1 . 1 12 12 PHE CD2 C 13 131.435 0.3 . 1 . . . . A 964 PHE CD2 . 34657 1 166 . 1 . 1 12 12 PHE CE1 C 13 130.812 0.3 . 1 . . . . A 964 PHE CE1 . 34657 1 167 . 1 . 1 12 12 PHE CE2 C 13 130.812 0.3 . 1 . . . . A 964 PHE CE2 . 34657 1 168 . 1 . 1 12 12 PHE CZ C 13 128.746 0.3 . 1 . . . . A 964 PHE CZ . 34657 1 169 . 1 . 1 12 12 PHE N N 15 118.692 0.3 . 1 . . . . A 964 PHE N . 34657 1 170 . 1 . 1 13 13 VAL H H 1 8.554 0.020 . 1 . . . . A 965 VAL H . 34657 1 171 . 1 . 1 13 13 VAL HA H 1 3.616 0.020 . 1 . . . . A 965 VAL HA . 34657 1 172 . 1 . 1 13 13 VAL HB H 1 2.370 0.020 . 1 . . . . A 965 VAL HB . 34657 1 173 . 1 . 1 13 13 VAL HG11 H 1 1.219 0.020 . 2 . . . . A 965 VAL HG11 . 34657 1 174 . 1 . 1 13 13 VAL HG12 H 1 1.219 0.020 . 2 . . . . A 965 VAL HG12 . 34657 1 175 . 1 . 1 13 13 VAL HG13 H 1 1.219 0.020 . 2 . . . . A 965 VAL HG13 . 34657 1 176 . 1 . 1 13 13 VAL HG21 H 1 1.025 0.020 . 2 . . . . A 965 VAL HG21 . 34657 1 177 . 1 . 1 13 13 VAL HG22 H 1 1.025 0.020 . 2 . . . . A 965 VAL HG22 . 34657 1 178 . 1 . 1 13 13 VAL HG23 H 1 1.025 0.020 . 2 . . . . A 965 VAL HG23 . 34657 1 179 . 1 . 1 13 13 VAL C C 13 178.834 0.3 . 1 . . . . A 965 VAL C . 34657 1 180 . 1 . 1 13 13 VAL CA C 13 67.331 0.3 . 1 . . . . A 965 VAL CA . 34657 1 181 . 1 . 1 13 13 VAL CB C 13 31.484 0.3 . 1 . . . . A 965 VAL CB . 34657 1 182 . 1 . 1 13 13 VAL CG1 C 13 23.331 0.3 . 1 . . . . A 965 VAL CG1 . 34657 1 183 . 1 . 1 13 13 VAL CG2 C 13 21.423 0.3 . 1 . . . . A 965 VAL CG2 . 34657 1 184 . 1 . 1 13 13 VAL N N 15 118.187 0.3 . 1 . . . . A 965 VAL N . 34657 1 185 . 1 . 1 14 14 PHE H H 1 8.659 0.020 . 1 . . . . A 966 PHE H . 34657 1 186 . 1 . 1 14 14 PHE HA H 1 4.250 0.020 . 1 . . . . A 966 PHE HA . 34657 1 187 . 1 . 1 14 14 PHE HB2 H 1 3.235 0.020 . 2 . . . . A 966 PHE HB2 . 34657 1 188 . 1 . 1 14 14 PHE HB3 H 1 3.318 0.020 . 2 . . . . A 966 PHE HB3 . 34657 1 189 . 1 . 1 14 14 PHE HD1 H 1 7.115 0.020 . 1 . . . . A 966 PHE HD1 . 34657 1 190 . 1 . 1 14 14 PHE HD2 H 1 7.115 0.020 . 1 . . . . A 966 PHE HD2 . 34657 1 191 . 1 . 1 14 14 PHE HE1 H 1 7.084 0.020 . 1 . . . . A 966 PHE HE1 . 34657 1 192 . 1 . 1 14 14 PHE HE2 H 1 7.084 0.020 . 1 . . . . A 966 PHE HE2 . 34657 1 193 . 1 . 1 14 14 PHE HZ H 1 7.064 0.020 . 1 . . . . A 966 PHE HZ . 34657 1 194 . 1 . 1 14 14 PHE C C 13 176.752 0.3 . 1 . . . . A 966 PHE C . 34657 1 195 . 1 . 1 14 14 PHE CA C 13 61.856 0.3 . 1 . . . . A 966 PHE CA . 34657 1 196 . 1 . 1 14 14 PHE CB C 13 39.201 0.3 . 1 . . . . A 966 PHE CB . 34657 1 197 . 1 . 1 14 14 PHE CD1 C 13 131.375 0.3 . 1 . . . . A 966 PHE CD1 . 34657 1 198 . 1 . 1 14 14 PHE CD2 C 13 131.375 0.3 . 1 . . . . A 966 PHE CD2 . 34657 1 199 . 1 . 1 14 14 PHE CE1 C 13 130.535 0.3 . 1 . . . . A 966 PHE CE1 . 34657 1 200 . 1 . 1 14 14 PHE CE2 C 13 130.535 0.3 . 1 . . . . A 966 PHE CE2 . 34657 1 201 . 1 . 1 14 14 PHE CZ C 13 128.601 0.3 . 1 . . . . A 966 PHE CZ . 34657 1 202 . 1 . 1 14 14 PHE N N 15 121.898 0.3 . 1 . . . . A 966 PHE N . 34657 1 203 . 1 . 1 15 15 LEU H H 1 8.717 0.020 . 1 . . . . A 967 LEU H . 34657 1 204 . 1 . 1 15 15 LEU HA H 1 3.832 0.020 . 1 . . . . A 967 LEU HA . 34657 1 205 . 1 . 1 15 15 LEU HB2 H 1 1.898 0.020 . 2 . . . . A 967 LEU HB2 . 34657 1 206 . 1 . 1 15 15 LEU HB3 H 1 1.491 0.020 . 2 . . . . A 967 LEU HB3 . 34657 1 207 . 1 . 1 15 15 LEU HG H 1 1.959 0.020 . 1 . . . . A 967 LEU HG . 34657 1 208 . 1 . 1 15 15 LEU HD11 H 1 0.897 0.020 . 2 . . . . A 967 LEU HD11 . 34657 1 209 . 1 . 1 15 15 LEU HD12 H 1 0.897 0.020 . 2 . . . . A 967 LEU HD12 . 34657 1 210 . 1 . 1 15 15 LEU HD13 H 1 0.897 0.020 . 2 . . . . A 967 LEU HD13 . 34657 1 211 . 1 . 1 15 15 LEU HD21 H 1 0.877 0.020 . 2 . . . . A 967 LEU HD21 . 34657 1 212 . 1 . 1 15 15 LEU HD22 H 1 0.877 0.020 . 2 . . . . A 967 LEU HD22 . 34657 1 213 . 1 . 1 15 15 LEU HD23 H 1 0.877 0.020 . 2 . . . . A 967 LEU HD23 . 34657 1 214 . 1 . 1 15 15 LEU C C 13 178.557 0.3 . 1 . . . . A 967 LEU C . 34657 1 215 . 1 . 1 15 15 LEU CA C 13 58.313 0.3 . 1 . . . . A 967 LEU CA . 34657 1 216 . 1 . 1 15 15 LEU CB C 13 42.050 0.3 . 1 . . . . A 967 LEU CB . 34657 1 217 . 1 . 1 15 15 LEU CG C 13 26.924 0.3 . 1 . . . . A 967 LEU CG . 34657 1 218 . 1 . 1 15 15 LEU CD1 C 13 25.231 0.3 . 1 . . . . A 967 LEU CD1 . 34657 1 219 . 1 . 1 15 15 LEU CD2 C 13 23.256 0.3 . 1 . . . . A 967 LEU CD2 . 34657 1 220 . 1 . 1 15 15 LEU N N 15 118.488 0.3 . 1 . . . . A 967 LEU N . 34657 1 221 . 1 . 1 16 16 PHE H H 1 8.779 0.020 . 1 . . . . A 968 PHE H . 34657 1 222 . 1 . 1 16 16 PHE HA H 1 3.980 0.020 . 1 . . . . A 968 PHE HA . 34657 1 223 . 1 . 1 16 16 PHE HB2 H 1 2.861 0.020 . 2 . . . . A 968 PHE HB2 . 34657 1 224 . 1 . 1 16 16 PHE HB3 H 1 3.000 0.020 . 2 . . . . A 968 PHE HB3 . 34657 1 225 . 1 . 1 16 16 PHE HD1 H 1 7.051 0.020 . 1 . . . . A 968 PHE HD1 . 34657 1 226 . 1 . 1 16 16 PHE HD2 H 1 7.051 0.020 . 1 . . . . A 968 PHE HD2 . 34657 1 227 . 1 . 1 16 16 PHE HE1 H 1 7.113 0.020 . 1 . . . . A 968 PHE HE1 . 34657 1 228 . 1 . 1 16 16 PHE HE2 H 1 7.113 0.020 . 1 . . . . A 968 PHE HE2 . 34657 1 229 . 1 . 1 16 16 PHE HZ H 1 6.990 0.020 . 1 . . . . A 968 PHE HZ . 34657 1 230 . 1 . 1 16 16 PHE C C 13 177.449 0.3 . 1 . . . . A 968 PHE C . 34657 1 231 . 1 . 1 16 16 PHE CA C 13 61.766 0.3 . 1 . . . . A 968 PHE CA . 34657 1 232 . 1 . 1 16 16 PHE CB C 13 39.318 0.3 . 1 . . . . A 968 PHE CB . 34657 1 233 . 1 . 1 16 16 PHE CD1 C 13 131.275 0.3 . 1 . . . . A 968 PHE CD1 . 34657 1 234 . 1 . 1 16 16 PHE CD2 C 13 131.275 0.3 . 1 . . . . A 968 PHE CD2 . 34657 1 235 . 1 . 1 16 16 PHE CE1 C 13 130.405 0.3 . 1 . . . . A 968 PHE CE1 . 34657 1 236 . 1 . 1 16 16 PHE CE2 C 13 130.405 0.3 . 1 . . . . A 968 PHE CE2 . 34657 1 237 . 1 . 1 16 16 PHE CZ C 13 129.024 0.3 . 1 . . . . A 968 PHE CZ . 34657 1 238 . 1 . 1 16 16 PHE N N 15 117.583 0.3 . 1 . . . . A 968 PHE N . 34657 1 239 . 1 . 1 17 17 SER H H 1 8.232 0.020 . 1 . . . . A 969 SER H . 34657 1 240 . 1 . 1 17 17 SER HA H 1 3.957 0.020 . 1 . . . . A 969 SER HA . 34657 1 241 . 1 . 1 17 17 SER HB2 H 1 3.646 0.020 . 2 . . . . A 969 SER HB2 . 34657 1 242 . 1 . 1 17 17 SER HB3 H 1 4.089 0.020 . 2 . . . . A 969 SER HB3 . 34657 1 243 . 1 . 1 17 17 SER C C 13 176.111 0.3 . 1 . . . . A 969 SER C . 34657 1 244 . 1 . 1 17 17 SER CA C 13 63.894 0.3 . 1 . . . . A 969 SER CA . 34657 1 245 . 1 . 1 17 17 SER CB C 13 65.238 0.3 . 1 . . . . A 969 SER CB . 34657 1 246 . 1 . 1 17 17 SER N N 15 115.044 0.3 . 1 . . . . A 969 SER N . 34657 1 247 . 1 . 1 18 18 VAL H H 1 7.917 0.020 . 1 . . . . A 970 VAL H . 34657 1 248 . 1 . 1 18 18 VAL HA H 1 3.605 0.020 . 1 . . . . A 970 VAL HA . 34657 1 249 . 1 . 1 18 18 VAL HB H 1 2.101 0.020 . 1 . . . . A 970 VAL HB . 34657 1 250 . 1 . 1 18 18 VAL HG11 H 1 0.688 0.020 . 2 . . . . A 970 VAL HG11 . 34657 1 251 . 1 . 1 18 18 VAL HG12 H 1 0.688 0.020 . 2 . . . . A 970 VAL HG12 . 34657 1 252 . 1 . 1 18 18 VAL HG13 H 1 0.688 0.020 . 2 . . . . A 970 VAL HG13 . 34657 1 253 . 1 . 1 18 18 VAL HG21 H 1 0.813 0.020 . 2 . . . . A 970 VAL HG21 . 34657 1 254 . 1 . 1 18 18 VAL HG22 H 1 0.813 0.020 . 2 . . . . A 970 VAL HG22 . 34657 1 255 . 1 . 1 18 18 VAL HG23 H 1 0.813 0.020 . 2 . . . . A 970 VAL HG23 . 34657 1 256 . 1 . 1 18 18 VAL C C 13 178.976 0.3 . 1 . . . . A 970 VAL C . 34657 1 257 . 1 . 1 18 18 VAL CA C 13 66.453 0.3 . 1 . . . . A 970 VAL CA . 34657 1 258 . 1 . 1 18 18 VAL CB C 13 31.355 0.3 . 1 . . . . A 970 VAL CB . 34657 1 259 . 1 . 1 18 18 VAL CG1 C 13 22.803 0.3 . 1 . . . . A 970 VAL CG1 . 34657 1 260 . 1 . 1 18 18 VAL CG2 C 13 21.359 0.3 . 1 . . . . A 970 VAL CG2 . 34657 1 261 . 1 . 1 18 18 VAL N N 15 120.789 0.3 . 1 . . . . A 970 VAL N . 34657 1 262 . 1 . 1 19 19 VAL H H 1 8.156 0.020 . 1 . . . . A 971 VAL H . 34657 1 263 . 1 . 1 19 19 VAL HA H 1 3.554 0.020 . 1 . . . . A 971 VAL HA . 34657 1 264 . 1 . 1 19 19 VAL HB H 1 2.195 0.020 . 1 . . . . A 971 VAL HB . 34657 1 265 . 1 . 1 19 19 VAL HG11 H 1 1.019 0.020 . 2 . . . . A 971 VAL HG11 . 34657 1 266 . 1 . 1 19 19 VAL HG12 H 1 1.019 0.020 . 2 . . . . A 971 VAL HG12 . 34657 1 267 . 1 . 1 19 19 VAL HG13 H 1 1.019 0.020 . 2 . . . . A 971 VAL HG13 . 34657 1 268 . 1 . 1 19 19 VAL HG21 H 1 0.886 0.020 . 2 . . . . A 971 VAL HG21 . 34657 1 269 . 1 . 1 19 19 VAL HG22 H 1 0.886 0.020 . 2 . . . . A 971 VAL HG22 . 34657 1 270 . 1 . 1 19 19 VAL HG23 H 1 0.886 0.020 . 2 . . . . A 971 VAL HG23 . 34657 1 271 . 1 . 1 19 19 VAL C C 13 177.504 0.3 . 1 . . . . A 971 VAL C . 34657 1 272 . 1 . 1 19 19 VAL CA C 13 67.823 0.3 . 1 . . . . A 971 VAL CA . 34657 1 273 . 1 . 1 19 19 VAL CB C 13 31.331 0.3 . 1 . . . . A 971 VAL CB . 34657 1 274 . 1 . 1 19 19 VAL CG1 C 13 23.163 0.3 . 1 . . . . A 971 VAL CG1 . 34657 1 275 . 1 . 1 19 19 VAL CG2 C 13 21.257 0.3 . 1 . . . . A 971 VAL CG2 . 34657 1 276 . 1 . 1 19 19 VAL N N 15 121.789 0.3 . 1 . . . . A 971 VAL N . 34657 1 277 . 1 . 1 20 20 ILE H H 1 8.395 0.020 . 1 . . . . A 972 ILE H . 34657 1 278 . 1 . 1 20 20 ILE HA H 1 3.734 0.020 . 1 . . . . A 972 ILE HA . 34657 1 279 . 1 . 1 20 20 ILE HB H 1 1.842 0.020 . 1 . . . . A 972 ILE HB . 34657 1 280 . 1 . 1 20 20 ILE HG12 H 1 1.131 0.020 . 2 . . . . A 972 ILE HG12 . 34657 1 281 . 1 . 1 20 20 ILE HG13 H 1 1.286 0.020 . 2 . . . . A 972 ILE HG13 . 34657 1 282 . 1 . 1 20 20 ILE HG21 H 1 0.835 0.020 . 1 . . . . A 972 ILE HG21 . 34657 1 283 . 1 . 1 20 20 ILE HG22 H 1 0.835 0.020 . 1 . . . . A 972 ILE HG22 . 34657 1 284 . 1 . 1 20 20 ILE HG23 H 1 0.835 0.020 . 1 . . . . A 972 ILE HG23 . 34657 1 285 . 1 . 1 20 20 ILE HD11 H 1 0.635 0.020 . 1 . . . . A 972 ILE HD11 . 34657 1 286 . 1 . 1 20 20 ILE HD12 H 1 0.635 0.020 . 1 . . . . A 972 ILE HD12 . 34657 1 287 . 1 . 1 20 20 ILE HD13 H 1 0.635 0.020 . 1 . . . . A 972 ILE HD13 . 34657 1 288 . 1 . 1 20 20 ILE C C 13 178.438 0.3 . 1 . . . . A 972 ILE C . 34657 1 289 . 1 . 1 20 20 ILE CA C 13 64.426 0.3 . 1 . . . . A 972 ILE CA . 34657 1 290 . 1 . 1 20 20 ILE CB C 13 36.395 0.3 . 1 . . . . A 972 ILE CB . 34657 1 291 . 1 . 1 20 20 ILE CG1 C 13 28.335 0.3 . 1 . . . . A 972 ILE CG1 . 34657 1 292 . 1 . 1 20 20 ILE CG2 C 13 17.971 0.3 . 1 . . . . A 972 ILE CG2 . 34657 1 293 . 1 . 1 20 20 ILE CD1 C 13 11.682 0.3 . 1 . . . . A 972 ILE CD1 . 34657 1 294 . 1 . 1 20 20 ILE N N 15 117.748 0.3 . 1 . . . . A 972 ILE N . 34657 1 295 . 1 . 1 21 21 GLY H H 1 8.758 0.020 . 1 . . . . A 973 GLY H . 34657 1 296 . 1 . 1 21 21 GLY HA2 H 1 3.783 0.020 . 2 . . . . A 973 GLY HA2 . 34657 1 297 . 1 . 1 21 21 GLY HA3 H 1 3.721 0.020 . 2 . . . . A 973 GLY HA3 . 34657 1 298 . 1 . 1 21 21 GLY C C 13 175.256 0.3 . 1 . . . . A 973 GLY C . 34657 1 299 . 1 . 1 21 21 GLY CA C 13 47.783 0.3 . 1 . . . . A 973 GLY CA . 34657 1 300 . 1 . 1 21 21 GLY N N 15 107.148 0.3 . 1 . . . . A 973 GLY N . 34657 1 301 . 1 . 1 22 22 SER H H 1 8.278 0.020 . 1 . . . . A 974 SER H . 34657 1 302 . 1 . 1 22 22 SER HA H 1 4.137 0.020 . 1 . . . . A 974 SER HA . 34657 1 303 . 1 . 1 22 22 SER HB2 H 1 4.230 0.020 . 1 . . . . A 974 SER HB2 . 34657 1 304 . 1 . 1 22 22 SER HB3 H 1 4.230 0.020 . 1 . . . . A 974 SER HB3 . 34657 1 305 . 1 . 1 22 22 SER C C 13 176.293 0.3 . 1 . . . . A 974 SER C . 34657 1 306 . 1 . 1 22 22 SER CA C 13 63.915 0.3 . 1 . . . . A 974 SER CA . 34657 1 307 . 1 . 1 22 22 SER CB C 13 59.143 0.3 . 1 . . . . A 974 SER CB . 34657 1 308 . 1 . 1 22 22 SER N N 15 117.763 0.3 . 1 . . . . A 974 SER N . 34657 1 309 . 1 . 1 23 23 ILE H H 1 8.073 0.020 . 1 . . . . A 975 ILE H . 34657 1 310 . 1 . 1 23 23 ILE HA H 1 3.749 0.020 . 1 . . . . A 975 ILE HA . 34657 1 311 . 1 . 1 23 23 ILE HB H 1 2.100 0.020 . 1 . . . . A 975 ILE HB . 34657 1 312 . 1 . 1 23 23 ILE HG12 H 1 2.120 0.020 . 2 . . . . A 975 ILE HG12 . 34657 1 313 . 1 . 1 23 23 ILE HG13 H 1 1.013 0.020 . 2 . . . . A 975 ILE HG13 . 34657 1 314 . 1 . 1 23 23 ILE HG21 H 1 1.016 0.020 . 1 . . . . A 975 ILE HG21 . 34657 1 315 . 1 . 1 23 23 ILE HG22 H 1 1.016 0.020 . 1 . . . . A 975 ILE HG22 . 34657 1 316 . 1 . 1 23 23 ILE HG23 H 1 1.016 0.020 . 1 . . . . A 975 ILE HG23 . 34657 1 317 . 1 . 1 23 23 ILE HD11 H 1 0.874 0.020 . 1 . . . . A 975 ILE HD11 . 34657 1 318 . 1 . 1 23 23 ILE HD12 H 1 0.874 0.020 . 1 . . . . A 975 ILE HD12 . 34657 1 319 . 1 . 1 23 23 ILE HD13 H 1 0.874 0.020 . 1 . . . . A 975 ILE HD13 . 34657 1 320 . 1 . 1 23 23 ILE C C 13 177.813 0.3 . 1 . . . . A 975 ILE C . 34657 1 321 . 1 . 1 23 23 ILE CA C 13 66.182 0.3 . 1 . . . . A 975 ILE CA . 34657 1 322 . 1 . 1 23 23 ILE CB C 13 37.961 0.3 . 1 . . . . A 975 ILE CB . 34657 1 323 . 1 . 1 23 23 ILE CG1 C 13 29.494 0.3 . 1 . . . . A 975 ILE CG1 . 34657 1 324 . 1 . 1 23 23 ILE CG2 C 13 18.009 0.3 . 1 . . . . A 975 ILE CG2 . 34657 1 325 . 1 . 1 23 23 ILE CD1 C 13 14.117 0.3 . 1 . . . . A 975 ILE CD1 . 34657 1 326 . 1 . 1 23 23 ILE N N 15 122.343 0.3 . 1 . . . . A 975 ILE N . 34657 1 327 . 1 . 1 24 24 TYR H H 1 8.519 0.020 . 1 . . . . A 976 TYR H . 34657 1 328 . 1 . 1 24 24 TYR HA H 1 4.100 0.020 . 1 . . . . A 976 TYR HA . 34657 1 329 . 1 . 1 24 24 TYR HB2 H 1 3.115 0.020 . 2 . . . . A 976 TYR HB2 . 34657 1 330 . 1 . 1 24 24 TYR HB3 H 1 3.398 0.020 . 2 . . . . A 976 TYR HB3 . 34657 1 331 . 1 . 1 24 24 TYR HD1 H 1 7.006 0.020 . 1 . . . . A 976 TYR HD1 . 34657 1 332 . 1 . 1 24 24 TYR HD2 H 1 7.006 0.020 . 1 . . . . A 976 TYR HD2 . 34657 1 333 . 1 . 1 24 24 TYR HE1 H 1 6.819 0.020 . 1 . . . . A 976 TYR HE1 . 34657 1 334 . 1 . 1 24 24 TYR HE2 H 1 6.819 0.020 . 1 . . . . A 976 TYR HE2 . 34657 1 335 . 1 . 1 24 24 TYR C C 13 177.251 0.3 . 1 . . . . A 976 TYR C . 34657 1 336 . 1 . 1 24 24 TYR CA C 13 62.518 0.3 . 1 . . . . A 976 TYR CA . 34657 1 337 . 1 . 1 24 24 TYR CB C 13 38.539 0.3 . 1 . . . . A 976 TYR CB . 34657 1 338 . 1 . 1 24 24 TYR CD1 C 13 132.707 0.3 . 1 . . . . A 976 TYR CD1 . 34657 1 339 . 1 . 1 24 24 TYR CD2 C 13 132.707 0.3 . 1 . . . . A 976 TYR CD2 . 34657 1 340 . 1 . 1 24 24 TYR CE1 C 13 118.030 0.3 . 1 . . . . A 976 TYR CE1 . 34657 1 341 . 1 . 1 24 24 TYR CE2 C 13 118.030 0.3 . 1 . . . . A 976 TYR CE2 . 34657 1 342 . 1 . 1 24 24 TYR N N 15 119.359 0.3 . 1 . . . . A 976 TYR N . 34657 1 343 . 1 . 1 25 25 LEU H H 1 8.435 0.020 . 1 . . . . A 977 LEU H . 34657 1 344 . 1 . 1 25 25 LEU HA H 1 3.840 0.020 . 1 . . . . A 977 LEU HA . 34657 1 345 . 1 . 1 25 25 LEU HB2 H 1 2.000 0.020 . 2 . . . . A 977 LEU HB2 . 34657 1 346 . 1 . 1 25 25 LEU HB3 H 1 1.465 0.020 . 2 . . . . A 977 LEU HB3 . 34657 1 347 . 1 . 1 25 25 LEU HG H 1 2.048 0.020 . 1 . . . . A 977 LEU HG . 34657 1 348 . 1 . 1 25 25 LEU HD11 H 1 0.998 0.020 . 1 . . . . A 977 LEU HD11 . 34657 1 349 . 1 . 1 25 25 LEU HD12 H 1 0.998 0.020 . 1 . . . . A 977 LEU HD12 . 34657 1 350 . 1 . 1 25 25 LEU HD13 H 1 0.998 0.020 . 1 . . . . A 977 LEU HD13 . 34657 1 351 . 1 . 1 25 25 LEU HD21 H 1 0.998 0.020 . 1 . . . . A 977 LEU HD21 . 34657 1 352 . 1 . 1 25 25 LEU HD22 H 1 0.998 0.020 . 1 . . . . A 977 LEU HD22 . 34657 1 353 . 1 . 1 25 25 LEU HD23 H 1 0.998 0.020 . 1 . . . . A 977 LEU HD23 . 34657 1 354 . 1 . 1 25 25 LEU C C 13 179.277 0.3 . 1 . . . . A 977 LEU C . 34657 1 355 . 1 . 1 25 25 LEU CA C 13 57.972 0.3 . 1 . . . . A 977 LEU CA . 34657 1 356 . 1 . 1 25 25 LEU CB C 13 42.259 0.3 . 1 . . . . A 977 LEU CB . 34657 1 357 . 1 . 1 25 25 LEU CG C 13 27.116 0.3 . 1 . . . . A 977 LEU CG . 34657 1 358 . 1 . 1 25 25 LEU CD1 C 13 25.825 0.3 . 1 . . . . A 977 LEU CD1 . 34657 1 359 . 1 . 1 25 25 LEU CD2 C 13 23.647 0.3 . 1 . . . . A 977 LEU CD2 . 34657 1 360 . 1 . 1 25 25 LEU N N 15 117.018 0.3 . 1 . . . . A 977 LEU N . 34657 1 361 . 1 . 1 26 26 PHE H H 1 8.366 0.020 . 1 . . . . A 978 PHE H . 34657 1 362 . 1 . 1 26 26 PHE HA H 1 4.388 0.020 . 1 . . . . A 978 PHE HA . 34657 1 363 . 1 . 1 26 26 PHE HB2 H 1 3.268 0.020 . 2 . . . . A 978 PHE HB2 . 34657 1 364 . 1 . 1 26 26 PHE HB3 H 1 3.339 0.020 . 2 . . . . A 978 PHE HB3 . 34657 1 365 . 1 . 1 26 26 PHE HD1 H 1 7.303 0.020 . 1 . . . . A 978 PHE HD1 . 34657 1 366 . 1 . 1 26 26 PHE HD2 H 1 7.303 0.020 . 1 . . . . A 978 PHE HD2 . 34657 1 367 . 1 . 1 26 26 PHE HE1 H 1 7.357 0.020 . 1 . . . . A 978 PHE HE1 . 34657 1 368 . 1 . 1 26 26 PHE HE2 H 1 7.357 0.020 . 1 . . . . A 978 PHE HE2 . 34657 1 369 . 1 . 1 26 26 PHE HZ H 1 7.345 0.020 . 1 . . . . A 978 PHE HZ . 34657 1 370 . 1 . 1 26 26 PHE C C 13 177.575 0.3 . 1 . . . . A 978 PHE C . 34657 1 371 . 1 . 1 26 26 PHE CA C 13 61.029 0.3 . 1 . . . . A 978 PHE CA . 34657 1 372 . 1 . 1 26 26 PHE CB C 13 40.057 0.3 . 1 . . . . A 978 PHE CB . 34657 1 373 . 1 . 1 26 26 PHE CD1 C 13 131.936 0.3 . 1 . . . . A 978 PHE CD1 . 34657 1 374 . 1 . 1 26 26 PHE CD2 C 13 131.936 0.3 . 1 . . . . A 978 PHE CD2 . 34657 1 375 . 1 . 1 26 26 PHE CE1 C 13 131.172 0.3 . 1 . . . . A 978 PHE CE1 . 34657 1 376 . 1 . 1 26 26 PHE CE2 C 13 131.172 0.3 . 1 . . . . A 978 PHE CE2 . 34657 1 377 . 1 . 1 26 26 PHE CZ C 13 129.715 0.3 . 1 . . . . A 978 PHE CZ . 34657 1 378 . 1 . 1 26 26 PHE N N 15 117.230 0.3 . 1 . . . . A 978 PHE N . 34657 1 379 . 1 . 1 27 27 LEU H H 1 8.317 0.020 . 1 . . . . A 979 LEU H . 34657 1 380 . 1 . 1 27 27 LEU HA H 1 4.219 0.020 . 1 . . . . A 979 LEU HA . 34657 1 381 . 1 . 1 27 27 LEU HB2 H 1 1.982 0.020 . 2 . . . . A 979 LEU HB2 . 34657 1 382 . 1 . 1 27 27 LEU HB3 H 1 1.593 0.020 . 2 . . . . A 979 LEU HB3 . 34657 1 383 . 1 . 1 27 27 LEU HG H 1 2.121 0.020 . 1 . . . . A 979 LEU HG . 34657 1 384 . 1 . 1 27 27 LEU HD11 H 1 1.024 0.020 . 2 . . . . A 979 LEU HD11 . 34657 1 385 . 1 . 1 27 27 LEU HD12 H 1 1.024 0.020 . 2 . . . . A 979 LEU HD12 . 34657 1 386 . 1 . 1 27 27 LEU HD13 H 1 1.024 0.020 . 2 . . . . A 979 LEU HD13 . 34657 1 387 . 1 . 1 27 27 LEU HD21 H 1 1.017 0.020 . 2 . . . . A 979 LEU HD21 . 34657 1 388 . 1 . 1 27 27 LEU HD22 H 1 1.017 0.020 . 2 . . . . A 979 LEU HD22 . 34657 1 389 . 1 . 1 27 27 LEU HD23 H 1 1.017 0.020 . 2 . . . . A 979 LEU HD23 . 34657 1 390 . 1 . 1 27 27 LEU C C 13 178.731 0.3 . 1 . . . . A 979 LEU C . 34657 1 391 . 1 . 1 27 27 LEU CA C 13 56.458 0.3 . 1 . . . . A 979 LEU CA . 34657 1 392 . 1 . 1 27 27 LEU CB C 13 42.706 0.3 . 1 . . . . A 979 LEU CB . 34657 1 393 . 1 . 1 27 27 LEU CG C 13 27.102 0.3 . 1 . . . . A 979 LEU CG . 34657 1 394 . 1 . 1 27 27 LEU CD1 C 13 26.343 0.3 . 1 . . . . A 979 LEU CD1 . 34657 1 395 . 1 . 1 27 27 LEU CD2 C 13 22.978 0.3 . 1 . . . . A 979 LEU CD2 . 34657 1 396 . 1 . 1 27 27 LEU N N 15 117.078 0.3 . 1 . . . . A 979 LEU N . 34657 1 397 . 1 . 1 28 28 ARG H H 1 7.876 0.020 . 1 . . . . A 980 ARG H . 34657 1 398 . 1 . 1 28 28 ARG HA H 1 4.222 0.020 . 1 . . . . A 980 ARG HA . 34657 1 399 . 1 . 1 28 28 ARG HB2 H 1 1.722 0.020 . 1 . . . . A 980 ARG HB2 . 34657 1 400 . 1 . 1 28 28 ARG HB3 H 1 1.722 0.020 . 1 . . . . A 980 ARG HB3 . 34657 1 401 . 1 . 1 28 28 ARG HG2 H 1 1.559 0.020 . 2 . . . . A 980 ARG HG2 . 34657 1 402 . 1 . 1 28 28 ARG HG3 H 1 1.492 0.020 . 2 . . . . A 980 ARG HG3 . 34657 1 403 . 1 . 1 28 28 ARG HD2 H 1 2.963 0.020 . 2 . . . . A 980 ARG HD2 . 34657 1 404 . 1 . 1 28 28 ARG HD3 H 1 3.090 0.020 . 2 . . . . A 980 ARG HD3 . 34657 1 405 . 1 . 1 28 28 ARG C C 13 176.657 0.3 . 1 . . . . A 980 ARG C . 34657 1 406 . 1 . 1 28 28 ARG CA C 13 56.748 0.3 . 1 . . . . A 980 ARG CA . 34657 1 407 . 1 . 1 28 28 ARG CB C 13 30.220 0.3 . 1 . . . . A 980 ARG CB . 34657 1 408 . 1 . 1 28 28 ARG CG C 13 26.840 0.3 . 1 . . . . A 980 ARG CG . 34657 1 409 . 1 . 1 28 28 ARG CD C 13 43.372 0.3 . 1 . . . . A 980 ARG CD . 34657 1 410 . 1 . 1 28 28 ARG N N 15 117.592 0.3 . 1 . . . . A 980 ARG N . 34657 1 411 . 1 . 1 29 29 LYS H H 1 7.890 0.020 . 1 . . . . A 981 LYS H . 34657 1 412 . 1 . 1 29 29 LYS HA H 1 4.374 0.020 . 1 . . . . A 981 LYS HA . 34657 1 413 . 1 . 1 29 29 LYS HB2 H 1 1.842 0.020 . 2 . . . . A 981 LYS HB2 . 34657 1 414 . 1 . 1 29 29 LYS HB3 H 1 1.959 0.020 . 2 . . . . A 981 LYS HB3 . 34657 1 415 . 1 . 1 29 29 LYS HG2 H 1 1.524 0.020 . 1 . . . . A 981 LYS HG2 . 34657 1 416 . 1 . 1 29 29 LYS HG3 H 1 1.524 0.020 . 1 . . . . A 981 LYS HG3 . 34657 1 417 . 1 . 1 29 29 LYS HD2 H 1 1.750 0.020 . 1 . . . . A 981 LYS HD2 . 34657 1 418 . 1 . 1 29 29 LYS HD3 H 1 1.750 0.020 . 1 . . . . A 981 LYS HD3 . 34657 1 419 . 1 . 1 29 29 LYS HE2 H 1 3.046 0.020 . 1 . . . . A 981 LYS HE2 . 34657 1 420 . 1 . 1 29 29 LYS HE3 H 1 3.046 0.020 . 1 . . . . A 981 LYS HE3 . 34657 1 421 . 1 . 1 29 29 LYS C C 13 175.882 0.3 . 1 . . . . A 981 LYS C . 34657 1 422 . 1 . 1 29 29 LYS CA C 13 56.300 0.3 . 1 . . . . A 981 LYS CA . 34657 1 423 . 1 . 1 29 29 LYS CB C 13 32.739 0.3 . 1 . . . . A 981 LYS CB . 34657 1 424 . 1 . 1 29 29 LYS CG C 13 24.845 0.3 . 1 . . . . A 981 LYS CG . 34657 1 425 . 1 . 1 29 29 LYS CD C 13 29.026 0.3 . 1 . . . . A 981 LYS CD . 34657 1 426 . 1 . 1 29 29 LYS CE C 13 42.185 0.3 . 1 . . . . A 981 LYS CE . 34657 1 427 . 1 . 1 29 29 LYS N N 15 120.395 0.3 . 1 . . . . A 981 LYS N . 34657 1 428 . 1 . 1 30 30 ARG H H 1 7.660 0.020 . 1 . . . . A 982 ARG H . 34657 1 429 . 1 . 1 30 30 ARG HA H 1 4.165 0.020 . 1 . . . . A 982 ARG HA . 34657 1 430 . 1 . 1 30 30 ARG HB2 H 1 1.863 0.020 . 2 . . . . A 982 ARG HB2 . 34657 1 431 . 1 . 1 30 30 ARG HB3 H 1 1.754 0.020 . 2 . . . . A 982 ARG HB3 . 34657 1 432 . 1 . 1 30 30 ARG HG2 H 1 1.647 0.020 . 1 . . . . A 982 ARG HG2 . 34657 1 433 . 1 . 1 30 30 ARG HG3 H 1 1.647 0.020 . 1 . . . . A 982 ARG HG3 . 34657 1 434 . 1 . 1 30 30 ARG HD2 H 1 3.167 0.020 . 1 . . . . A 982 ARG HD2 . 34657 1 435 . 1 . 1 30 30 ARG HD3 H 1 3.167 0.020 . 1 . . . . A 982 ARG HD3 . 34657 1 436 . 1 . 1 30 30 ARG C C 13 176.911 0.3 . 1 . . . . A 982 ARG C . 34657 1 437 . 1 . 1 30 30 ARG CA C 13 57.689 0.3 . 1 . . . . A 982 ARG CA . 34657 1 438 . 1 . 1 30 30 ARG CB C 13 31.501 0.3 . 1 . . . . A 982 ARG CB . 34657 1 439 . 1 . 1 30 30 ARG CG C 13 27.389 0.3 . 1 . . . . A 982 ARG CG . 34657 1 440 . 1 . 1 30 30 ARG CD C 13 43.705 0.3 . 1 . . . . A 982 ARG CD . 34657 1 441 . 1 . 1 30 30 ARG N N 15 126.922 0.3 . 1 . . . . A 982 ARG N . 34657 1 stop_ save_