################################### # 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 50934 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name HPr48 _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' . . . 50934 1 2 '3D HNCACB' . . . 50934 1 3 '3D HNCA' . . . 50934 1 4 '3D H(CCO)NH' . . . 50934 1 5 '3D 1H-15N NOESY' . . . 50934 1 6 '3D 1H-15N TOCSY' . . . 50934 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 $software_1 . . 50934 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 LEU H H 1 8.39 0.01 . 1 . . . . . 1 LEU H . 50934 1 2 . 1 . 1 1 1 LEU HA H 1 4.27 0.01 . 1 . . . . . 1 LEU HA . 50934 1 3 . 1 . 1 1 1 LEU HB2 H 1 1.55 0.01 . 2 . . . . . 1 LEU HB2 . 50934 1 4 . 1 . 1 1 1 LEU HB3 H 1 1.55 0.01 . 2 . . . . . 1 LEU HB3 . 50934 1 5 . 1 . 1 1 1 LEU HG H 1 1.53 0.01 . 1 . . . . . 1 LEU HG . 50934 1 6 . 1 . 1 1 1 LEU HD11 H 1 0.92 0.01 . 2 . . . . . 1 LEU MD1 . 50934 1 7 . 1 . 1 1 1 LEU HD12 H 1 0.92 0.01 . 2 . . . . . 1 LEU MD1 . 50934 1 8 . 1 . 1 1 1 LEU HD13 H 1 0.92 0.01 . 2 . . . . . 1 LEU MD1 . 50934 1 9 . 1 . 1 1 1 LEU HD21 H 1 0.92 0.01 . 2 . . . . . 1 LEU MD2 . 50934 1 10 . 1 . 1 1 1 LEU HD22 H 1 0.92 0.01 . 2 . . . . . 1 LEU MD2 . 50934 1 11 . 1 . 1 1 1 LEU HD23 H 1 0.92 0.01 . 2 . . . . . 1 LEU MD2 . 50934 1 12 . 1 . 1 1 1 LEU CA C 13 55.35 0.01 . 1 . . . . . 1 LEU CA . 50934 1 13 . 1 . 1 1 1 LEU CB C 13 41.72 0.01 . 1 . . . . . 1 LEU CB . 50934 1 14 . 1 . 1 1 1 LEU N N 15 124.04 0.01 . 1 . . . . . 1 LEU N . 50934 1 15 . 1 . 1 2 2 ALA H H 1 8.47 0.01 . 1 . . . . . 2 ALA H . 50934 1 16 . 1 . 1 2 2 ALA HA H 1 4.23 0.01 . 1 . . . . . 2 ALA HA . 50934 1 17 . 1 . 1 2 2 ALA HB1 H 1 1.41 0.01 . 1 . . . . . 2 ALA HB . 50934 1 18 . 1 . 1 2 2 ALA HB2 H 1 1.41 0.01 . 1 . . . . . 2 ALA HB . 50934 1 19 . 1 . 1 2 2 ALA HB3 H 1 1.41 0.01 . 1 . . . . . 2 ALA HB . 50934 1 20 . 1 . 1 2 2 ALA CA C 13 52.63 0.01 . 1 . . . . . 2 ALA CA . 50934 1 21 . 1 . 1 2 2 ALA CB C 13 19.05 0.01 . 1 . . . . . 2 ALA CB . 50934 1 22 . 1 . 1 2 2 ALA N N 15 125.05 0.01 . 1 . . . . . 2 ALA N . 50934 1 23 . 1 . 1 3 3 GLU H H 1 8.25 0.01 . 1 . . . . . 3 GLU H . 50934 1 24 . 1 . 1 3 3 GLU HA H 1 4.09 0.01 . 1 . . . . . 3 GLU HA . 50934 1 25 . 1 . 1 3 3 GLU HB2 H 1 1.94 0.01 . 2 . . . . . 3 GLU HB2 . 50934 1 26 . 1 . 1 3 3 GLU HB3 H 1 1.94 0.01 . 2 . . . . . 3 GLU HB3 . 50934 1 27 . 1 . 1 3 3 GLU HG2 H 1 2.29 0.01 . 2 . . . . . 3 GLU HG2 . 50934 1 28 . 1 . 1 3 3 GLU HG3 H 1 2.29 0.01 . 2 . . . . . 3 GLU HG3 . 50934 1 29 . 1 . 1 3 3 GLU CA C 13 57.13 0.01 . 1 . . . . . 3 GLU CA . 50934 1 30 . 1 . 1 3 3 GLU CB C 13 29.84 0.01 . 1 . . . . . 3 GLU CB . 50934 1 31 . 1 . 1 3 3 GLU N N 15 119.85 0.01 . 1 . . . . . 3 GLU N . 50934 1 32 . 1 . 1 4 4 ARG H H 1 8.50 0.01 . 1 . . . . . 4 ARG H . 50934 1 33 . 1 . 1 4 4 ARG HA H 1 4.30 0.01 . 1 . . . . . 4 ARG HA . 50934 1 34 . 1 . 1 4 4 ARG HB2 H 1 1.89 0.01 . 2 . . . . . 4 ARG HB2 . 50934 1 35 . 1 . 1 4 4 ARG HB3 H 1 1.89 0.01 . 2 . . . . . 4 ARG HB3 . 50934 1 36 . 1 . 1 4 4 ARG HG2 H 1 1.69 0.01 . 2 . . . . . 4 ARG HG2 . 50934 1 37 . 1 . 1 4 4 ARG HG3 H 1 1.69 0.01 . 2 . . . . . 4 ARG HG3 . 50934 1 38 . 1 . 1 4 4 ARG HD2 H 1 3.19 0.01 . 2 . . . . . 4 ARG HD2 . 50934 1 39 . 1 . 1 4 4 ARG HD3 H 1 3.19 0.01 . 2 . . . . . 4 ARG HD3 . 50934 1 40 . 1 . 1 4 4 ARG CA C 13 56.11 0.01 . 1 . . . . . 4 ARG CA . 50934 1 41 . 1 . 1 4 4 ARG CB C 13 30.45 0.01 . 1 . . . . . 4 ARG CB . 50934 1 42 . 1 . 1 4 4 ARG N N 15 122.92 0.01 . 1 . . . . . 4 ARG N . 50934 1 43 . 1 . 1 5 5 ARG H H 1 8.58 0.01 . 1 . . . . . 5 ARG H . 50934 1 44 . 1 . 1 5 5 ARG HA H 1 4.34 0.01 . 1 . . . . . 5 ARG HA . 50934 1 45 . 1 . 1 5 5 ARG HB2 H 1 1.81 0.01 . 2 . . . . . 5 ARG HB2 . 50934 1 46 . 1 . 1 5 5 ARG HB3 H 1 1.81 0.01 . 2 . . . . . 5 ARG HB3 . 50934 1 47 . 1 . 1 5 5 ARG HG2 H 1 1.66 0.01 . 2 . . . . . 5 ARG HG2 . 50934 1 48 . 1 . 1 5 5 ARG HG3 H 1 1.66 0.01 . 2 . . . . . 5 ARG HG3 . 50934 1 49 . 1 . 1 5 5 ARG HD2 H 1 3.19 0.01 . 2 . . . . . 5 ARG HD2 . 50934 1 50 . 1 . 1 5 5 ARG HD3 H 1 3.19 0.01 . 2 . . . . . 5 ARG HD3 . 50934 1 51 . 1 . 1 5 5 ARG CA C 13 56.11 0.01 . 1 . . . . . 5 ARG CA . 50934 1 52 . 1 . 1 5 5 ARG CB C 13 30.71 0.01 . 1 . . . . . 5 ARG CB . 50934 1 53 . 1 . 1 5 5 ARG N N 15 123.51 0.01 . 1 . . . . . 5 ARG N . 50934 1 54 . 1 . 1 6 6 VAL H H 1 8.37 0.01 . 1 . . . . . 6 VAL H . 50934 1 55 . 1 . 1 6 6 VAL HA H 1 4.09 0.01 . 1 . . . . . 6 VAL HA . 50934 1 56 . 1 . 1 6 6 VAL HB H 1 2.08 0.01 . 1 . . . . . 6 VAL HB . 50934 1 57 . 1 . 1 6 6 VAL HG11 H 1 0.89 0.01 . 2 . . . . . 6 VAL HG1 . 50934 1 58 . 1 . 1 6 6 VAL HG12 H 1 0.89 0.01 . 2 . . . . . 6 VAL HG1 . 50934 1 59 . 1 . 1 6 6 VAL HG13 H 1 0.89 0.01 . 2 . . . . . 6 VAL HG1 . 50934 1 60 . 1 . 1 6 6 VAL HG21 H 1 0.89 0.01 . 2 . . . . . 6 VAL HG2 . 50934 1 61 . 1 . 1 6 6 VAL HG22 H 1 0.89 0.01 . 2 . . . . . 6 VAL HG2 . 50934 1 62 . 1 . 1 6 6 VAL HG23 H 1 0.89 0.01 . 2 . . . . . 6 VAL HG2 . 50934 1 63 . 1 . 1 6 6 VAL CA C 13 62.28 0.01 . 1 . . . . . 6 VAL CA . 50934 1 64 . 1 . 1 6 6 VAL CB C 13 32.75 0.01 . 1 . . . . . 6 VAL CB . 50934 1 65 . 1 . 1 6 6 VAL N N 15 121.46 0.01 . 1 . . . . . 6 VAL N . 50934 1 66 . 1 . 1 7 7 ASN H H 1 8.67 0.01 . 1 . . . . . 7 ASN H . 50934 1 67 . 1 . 1 7 7 ASN HA H 1 4.68 0.01 . 1 . . . . . 7 ASN HA . 50934 1 68 . 1 . 1 7 7 ASN HB2 H 1 2.74 0.01 . 2 . . . . . 7 ASN HB2 . 50934 1 69 . 1 . 1 7 7 ASN HB3 H 1 2.74 0.01 . 2 . . . . . 7 ASN HB3 . 50934 1 70 . 1 . 1 7 7 ASN CA C 13 53.07 0.01 . 1 . . . . . 7 ASN CA . 50934 1 71 . 1 . 1 7 7 ASN CB C 13 38.65 0.01 . 1 . . . . . 7 ASN CB . 50934 1 72 . 1 . 1 7 7 ASN N N 15 122.91 0.01 . 1 . . . . . 7 ASN N . 50934 1 73 . 1 . 1 8 8 VAL H H 1 8.31 0.01 . 1 . . . . . 8 VAL H . 50934 1 74 . 1 . 1 8 8 VAL HA H 1 4.13 0.01 . 1 . . . . . 8 VAL HA . 50934 1 75 . 1 . 1 8 8 VAL HB H 1 2.09 0.01 . 1 . . . . . 8 VAL HB . 50934 1 76 . 1 . 1 8 8 VAL HG11 H 1 0.89 0.01 . 2 . . . . . 8 VAL HG1 . 50934 1 77 . 1 . 1 8 8 VAL HG12 H 1 0.89 0.01 . 2 . . . . . 8 VAL HG1 . 50934 1 78 . 1 . 1 8 8 VAL HG13 H 1 0.89 0.01 . 2 . . . . . 8 VAL HG1 . 50934 1 79 . 1 . 1 8 8 VAL HG21 H 1 0.89 0.01 . 2 . . . . . 8 VAL HG2 . 50934 1 80 . 1 . 1 8 8 VAL HG22 H 1 0.89 0.01 . 2 . . . . . 8 VAL HG2 . 50934 1 81 . 1 . 1 8 8 VAL HG23 H 1 0.89 0.01 . 2 . . . . . 8 VAL HG2 . 50934 1 82 . 1 . 1 8 8 VAL CA C 13 62.73 0.01 . 1 . . . . . 8 VAL CA . 50934 1 83 . 1 . 1 8 8 VAL CB C 13 32.35 0.01 . 1 . . . . . 8 VAL CB . 50934 1 84 . 1 . 1 8 8 VAL N N 15 120.86 0.01 . 1 . . . . . 8 VAL N . 50934 1 85 . 1 . 1 9 9 GLY H H 1 8.64 0.01 . 1 . . . . . 9 GLY H . 50934 1 86 . 1 . 1 9 9 GLY HA2 H 1 3.99 0.01 . 2 . . . . . 9 GLY HA2 . 50934 1 87 . 1 . 1 9 9 GLY CA C 13 45.26 0.01 . 1 . . . . . 9 GLY CA . 50934 1 88 . 1 . 1 9 9 GLY N N 15 112.38 0.01 . 1 . . . . . 9 GLY N . 50934 1 89 . 1 . 1 10 10 TRP H H 1 8.14 0.01 . 1 . . . . . 10 TRP H . 50934 1 90 . 1 . 1 10 10 TRP HA H 1 4.54 0.01 . 1 . . . . . 10 TRP HA . 50934 1 91 . 1 . 1 10 10 TRP HB2 H 1 3.26 0.01 . 2 . . . . . 10 TRP HB2 . 50934 1 92 . 1 . 1 10 10 TRP HB3 H 1 3.26 0.01 . 2 . . . . . 10 TRP HB3 . 50934 1 93 . 1 . 1 10 10 TRP HD1 H 1 7.28 0.01 . 1 . . . . . 10 TRP HD1 . 50934 1 94 . 1 . 1 10 10 TRP HE1 H 1 10.24 0.01 . 1 . . . . . 10 TRP HE1 . 50934 1 95 . 1 . 1 10 10 TRP HE3 H 1 7.61 0.01 . 1 . . . . . 10 TRP HE3 . 50934 1 96 . 1 . 1 10 10 TRP HZ2 H 1 7.48 0.01 . 1 . . . . . 10 TRP HZ2 . 50934 1 97 . 1 . 1 10 10 TRP CA C 13 58.05 0.01 . 1 . . . . . 10 TRP CA . 50934 1 98 . 1 . 1 10 10 TRP CB C 13 29.15 0.01 . 1 . . . . . 10 TRP CB . 50934 1 99 . 1 . 1 10 10 TRP N N 15 121.57 0.01 . 1 . . . . . 10 TRP N . 50934 1 100 . 1 . 1 10 10 TRP NE1 N 15 129.66 0.01 . 1 . . . . . 10 TRP NE1 . 50934 1 101 . 1 . 1 11 11 ALA H H 1 8.21 0.01 . 1 . . . . . 11 ALA H . 50934 1 102 . 1 . 1 11 11 ALA HA H 1 4.13 0.01 . 1 . . . . . 11 ALA HA . 50934 1 103 . 1 . 1 11 11 ALA HB1 H 1 1.16 0.01 . 1 . . . . . 11 ALA MB . 50934 1 104 . 1 . 1 11 11 ALA HB2 H 1 1.16 0.01 . 1 . . . . . 11 ALA MB . 50934 1 105 . 1 . 1 11 11 ALA HB3 H 1 1.16 0.01 . 1 . . . . . 11 ALA MB . 50934 1 106 . 1 . 1 11 11 ALA CA C 13 52.55 0.01 . 1 . . . . . 11 ALA CA . 50934 1 107 . 1 . 1 11 11 ALA CB C 13 19.25 0.01 . 1 . . . . . 11 ALA CB . 50934 1 108 . 1 . 1 11 11 ALA N N 15 125.65 0.01 . 1 . . . . . 11 ALA N . 50934 1 109 . 1 . 1 12 12 GLU H H 1 8.45 0.01 . 1 . . . . . 12 GLU H . 50934 1 110 . 1 . 1 12 12 GLU HA H 1 4.13 0.01 . 1 . . . . . 12 GLU HA . 50934 1 111 . 1 . 1 12 12 GLU HB2 H 1 1.95 0.01 . 2 . . . . . 12 GLU HB2 . 50934 1 112 . 1 . 1 12 12 GLU HB3 H 1 1.95 0.01 . 2 . . . . . 12 GLU HB3 . 50934 1 113 . 1 . 1 12 12 GLU HG2 H 1 2.27 0.01 . 2 . . . . . 12 GLU HG2 . 50934 1 114 . 1 . 1 12 12 GLU HG3 H 1 2.27 0.01 . 2 . . . . . 12 GLU HG3 . 50934 1 115 . 1 . 1 12 12 GLU CA C 13 56.71 0.01 . 1 . . . . . 12 GLU CA . 50934 1 116 . 1 . 1 12 12 GLU CB C 13 30.05 0.01 . 1 . . . . . 12 GLU CB . 50934 1 117 . 1 . 1 12 12 GLU N N 15 120.51 0.01 . 1 . . . . . 12 GLU N . 50934 1 118 . 1 . 1 13 13 GLY H H 1 8.43 0.01 . 1 . . . . . 13 GLY H . 50934 1 119 . 1 . 1 13 13 GLY HA2 H 1 3.92 0.01 . 2 . . . . . 13 GLY HA2 . 50934 1 120 . 1 . 1 13 13 GLY CA C 13 45.26 0.01 . 1 . . . . . 13 GLY CA . 50934 1 121 . 1 . 1 13 13 GLY N N 15 109.15 0.01 . 1 . . . . . 13 GLY N . 50934 1 122 . 1 . 1 14 14 LEU H H 1 8.09 0.01 . 1 . . . . . 14 LEU H . 50934 1 123 . 1 . 1 14 14 LEU HA H 1 4.23 0.01 . 1 . . . . . 14 LEU HA . 50934 1 124 . 1 . 1 14 14 LEU HB2 H 1 1.46 0.01 . 2 . . . . . 14 LEU HB2 . 50934 1 125 . 1 . 1 14 14 LEU HB3 H 1 1.46 0.01 . 2 . . . . . 14 LEU HB3 . 50934 1 126 . 1 . 1 14 14 LEU HG H 1 1.55 0.01 . 1 . . . . . 14 LEU HG . 50934 1 127 . 1 . 1 14 14 LEU HD11 H 1 0.96 0.01 . 2 . . . . . 14 LEU MD1 . 50934 1 128 . 1 . 1 14 14 LEU HD12 H 1 0.96 0.01 . 2 . . . . . 14 LEU MD1 . 50934 1 129 . 1 . 1 14 14 LEU HD13 H 1 0.96 0.01 . 2 . . . . . 14 LEU MD1 . 50934 1 130 . 1 . 1 14 14 LEU HD21 H 1 0.96 0.01 . 2 . . . . . 14 LEU MD2 . 50934 1 131 . 1 . 1 14 14 LEU HD22 H 1 0.96 0.01 . 2 . . . . . 14 LEU MD2 . 50934 1 132 . 1 . 1 14 14 LEU HD23 H 1 0.96 0.01 . 2 . . . . . 14 LEU MD2 . 50934 1 133 . 1 . 1 14 14 LEU CA C 13 55.44 0.01 . 1 . . . . . 14 LEU CA . 50934 1 134 . 1 . 1 14 14 LEU CB C 13 41.72 0.01 . 1 . . . . . 14 LEU CB . 50934 1 135 . 1 . 1 14 14 LEU N N 15 121.27 0.01 . 1 . . . . . 14 LEU N . 50934 1 136 . 1 . 1 15 15 HIS H H 1 8.41 0.01 . 1 . . . . . 15 HIS H . 50934 1 137 . 1 . 1 15 15 HIS HA H 1 4.68 0.01 . 1 . . . . . 15 HIS HA . 50934 1 138 . 1 . 1 15 15 HIS HB2 H 1 3.12 0.01 . 2 . . . . . 15 HIS HB2 . 50934 1 139 . 1 . 1 15 15 HIS HB3 H 1 3.12 0.01 . 2 . . . . . 15 HIS HB3 . 50934 1 140 . 1 . 1 15 15 HIS HD2 H 1 7.03 0.01 . 1 . . . . . 15 HIS HE1 . 50934 1 141 . 1 . 1 15 15 HIS CA C 13 55.44 0.01 . 1 . . . . . 15 HIS CA . 50934 1 142 . 1 . 1 15 15 HIS CB C 13 30.05 0.01 . 1 . . . . . 15 HIS CB . 50934 1 143 . 1 . 1 15 15 HIS N N 15 118.97 0.01 . 1 . . . . . 15 HIS N . 50934 1 144 . 1 . 1 16 16 ALA H H 1 8.28 0.01 . 1 . . . . . 16 ALA H . 50934 1 145 . 1 . 1 16 16 ALA HA H 1 4.27 0.01 . 1 . . . . . 16 ALA HA . 50934 1 146 . 1 . 1 16 16 ALA HB1 H 1 1.35 0.01 . 1 . . . . . 16 ALA HB . 50934 1 147 . 1 . 1 16 16 ALA HB2 H 1 1.35 0.01 . 1 . . . . . 16 ALA HB . 50934 1 148 . 1 . 1 16 16 ALA HB3 H 1 1.35 0.01 . 1 . . . . . 16 ALA HB . 50934 1 149 . 1 . 1 16 16 ALA CA C 13 52.32 0.01 . 1 . . . . . 16 ALA CA . 50934 1 150 . 1 . 1 16 16 ALA CB C 13 18.75 0.01 . 1 . . . . . 16 ALA CB . 50934 1 151 . 1 . 1 16 16 ALA N N 15 124.77 0.01 . 1 . . . . . 16 ALA N . 50934 1 152 . 1 . 1 17 17 ARG H H 1 8.53 0.01 . 1 . . . . . 17 ARG H . 50934 1 153 . 1 . 1 17 17 ARG HA H 1 4.58 0.01 . 1 . . . . . 17 ARG HA . 50934 1 154 . 1 . 1 17 17 ARG HB2 H 1 1.83 0.01 . 2 . . . . . 17 ARG HB2 . 50934 1 155 . 1 . 1 17 17 ARG HB3 H 1 1.83 0.01 . 2 . . . . . 17 ARG HB3 . 50934 1 156 . 1 . 1 17 17 ARG HG2 H 1 1.66 0.01 . 2 . . . . . 17 ARG HG2 . 50934 1 157 . 1 . 1 17 17 ARG HG3 H 1 1.66 0.01 . 2 . . . . . 17 ARG HG3 . 50934 1 158 . 1 . 1 17 17 ARG HD2 H 1 3.18 0.01 . 2 . . . . . 17 ARG HD2 . 50934 1 159 . 1 . 1 17 17 ARG HD3 H 1 3.18 0.01 . 2 . . . . . 17 ARG HD3 . 50934 1 160 . 1 . 1 17 17 ARG CA C 13 53.96 0.01 . 1 . . . . . 17 ARG CA . 50934 1 161 . 1 . 1 17 17 ARG CB C 13 30.15 0.01 . 1 . . . . . 17 ARG CB . 50934 1 162 . 1 . 1 17 17 ARG N N 15 122.09 0.01 . 1 . . . . . 17 ARG N . 50934 1 163 . 1 . 1 18 18 PRO HA H 1 4.43 0.01 . 1 . . . . . 18 PRO HA . 50934 1 164 . 1 . 1 18 18 PRO HB2 H 1 1.95 0.01 . 2 . . . . . 18 PRO HB2 . 50934 1 165 . 1 . 1 18 18 PRO HB3 H 1 1.95 0.01 . 2 . . . . . 18 PRO HB3 . 50934 1 166 . 1 . 1 18 18 PRO HG2 H 1 2.38 0.01 . 2 . . . . . 18 PRO HG2 . 50934 1 167 . 1 . 1 18 18 PRO HG3 H 1 2.38 0.01 . 2 . . . . . 18 PRO HG3 . 50934 1 168 . 1 . 1 18 18 PRO HD2 H 1 3.86 0.01 . 2 . . . . . 18 PRO HD2 . 50934 1 169 . 1 . 1 18 18 PRO HD3 H 1 3.86 0.01 . 2 . . . . . 18 PRO HD3 . 50934 1 170 . 1 . 1 18 18 PRO CA C 13 63.03 0.01 . 1 . . . . . 18 PRO CA . 50934 1 171 . 1 . 1 18 18 PRO CB C 13 31.82 0.01 . 1 . . . . . 18 PRO CB . 50934 1 172 . 1 . 1 19 19 ALA H H 1 8.64 0.01 . 1 . . . . . 19 ALA H . 50934 1 173 . 1 . 1 19 19 ALA HA H 1 4.30 0.01 . 1 . . . . . 19 ALA HA . 50934 1 174 . 1 . 1 19 19 ALA HB1 H 1 1.46 0.01 . 1 . . . . . 19 ALA HB . 50934 1 175 . 1 . 1 19 19 ALA HB2 H 1 1.46 0.01 . 1 . . . . . 19 ALA HB . 50934 1 176 . 1 . 1 19 19 ALA HB3 H 1 1.46 0.01 . 1 . . . . . 19 ALA HB . 50934 1 177 . 1 . 1 19 19 ALA CA C 13 52.55 0.01 . 1 . . . . . 19 ALA CA . 50934 1 178 . 1 . 1 19 19 ALA CB C 13 19.05 0.01 . 1 . . . . . 19 ALA CB . 50934 1 179 . 1 . 1 19 19 ALA N N 15 124.69 0.01 . 1 . . . . . 19 ALA N . 50934 1 180 . 1 . 1 20 20 SER H H 1 8.33 0.01 . 1 . . . . . 20 SER H . 50934 1 181 . 1 . 1 20 20 SER HA H 1 4.41 0.01 . 1 . . . . . 20 SER HA . 50934 1 182 . 1 . 1 20 20 SER HB2 H 1 3.92 0.01 . 2 . . . . . 20 SER HB2 . 50934 1 183 . 1 . 1 20 20 SER HB3 H 1 3.92 0.01 . 2 . . . . . 20 SER HB3 . 50934 1 184 . 1 . 1 20 20 SER CA C 13 58.27 0.01 . 1 . . . . . 20 SER CA . 50934 1 185 . 1 . 1 20 20 SER CB C 13 63.64 0.01 . 1 . . . . . 20 SER CB . 50934 1 186 . 1 . 1 20 20 SER N N 15 114.76 0.01 . 1 . . . . . 20 SER N . 50934 1 187 . 1 . 1 21 21 ILE H H 1 8.21 0.01 . 1 . . . . . 21 ILE H . 50934 1 188 . 1 . 1 21 21 ILE HA H 1 4.20 0.01 . 1 . . . . . 21 ILE HA . 50934 1 189 . 1 . 1 21 21 ILE HB H 1 1.80 0.01 . 1 . . . . . 21 ILE HB . 50934 1 190 . 1 . 1 21 21 ILE HG12 H 1 1.29 0.01 . 2 . . . . . 21 ILE HG12 . 50934 1 191 . 1 . 1 21 21 ILE HG21 H 1 0.83 0.01 . 1 . . . . . 21 ILE HG2 . 50934 1 192 . 1 . 1 21 21 ILE HG22 H 1 0.83 0.01 . 1 . . . . . 21 ILE HG2 . 50934 1 193 . 1 . 1 21 21 ILE HG23 H 1 0.83 0.01 . 1 . . . . . 21 ILE HG2 . 50934 1 194 . 1 . 1 21 21 ILE HD11 H 1 0.83 0.01 . 1 . . . . . 21 ILE HD1 . 50934 1 195 . 1 . 1 21 21 ILE HD12 H 1 0.83 0.01 . 1 . . . . . 21 ILE HD1 . 50934 1 196 . 1 . 1 21 21 ILE HD13 H 1 0.83 0.01 . 1 . . . . . 21 ILE HD1 . 50934 1 197 . 1 . 1 21 21 ILE CA C 13 61.24 0.01 . 1 . . . . . 21 ILE CA . 50934 1 198 . 1 . 1 21 21 ILE CB C 13 38.61 0.01 . 1 . . . . . 21 ILE CB . 50934 1 199 . 1 . 1 21 21 ILE N N 15 122.12 0.01 . 1 . . . . . 21 ILE N . 50934 1 200 . 1 . 1 22 22 PHE H H 1 8.43 0.01 . 1 . . . . . 22 PHE H . 50934 1 201 . 1 . 1 22 22 PHE HA H 1 4.62 0.01 . 1 . . . . . 22 PHE HA . 50934 1 202 . 1 . 1 22 22 PHE HB2 H 1 3.03 0.01 . 2 . . . . . 22 PHE HB2 . 50934 1 203 . 1 . 1 22 22 PHE HB3 H 1 3.03 0.01 . 2 . . . . . 22 PHE HB3 . 50934 1 204 . 1 . 1 22 22 PHE HD1 H 1 7.27 0.01 . 3 . . . . . 22 PHE HD1 . 50934 1 205 . 1 . 1 22 22 PHE HD2 H 1 7.27 0.01 . 3 . . . . . 22 PHE HD2 . 50934 1 206 . 1 . 1 22 22 PHE CA C 13 57.67 0.01 . 1 . . . . . 22 PHE CA . 50934 1 207 . 1 . 1 22 22 PHE CB C 13 39.53 0.01 . 1 . . . . . 22 PHE CB . 50934 1 208 . 1 . 1 22 22 PHE N N 15 124.78 0.01 . 1 . . . . . 22 PHE N . 50934 1 209 . 1 . 1 23 23 VAL H H 1 8.17 0.01 . 1 . . . . . 23 VAL H . 50934 1 210 . 1 . 1 23 23 VAL HA H 1 4.02 0.01 . 1 . . . . . 23 VAL HA . 50934 1 211 . 1 . 1 23 23 VAL HB H 1 1.94 0.01 . 1 . . . . . 23 VAL HB . 50934 1 212 . 1 . 1 23 23 VAL HG11 H 1 0.87 0.01 . 2 . . . . . 23 VAL MG1 . 50934 1 213 . 1 . 1 23 23 VAL HG12 H 1 0.87 0.01 . 2 . . . . . 23 VAL MG1 . 50934 1 214 . 1 . 1 23 23 VAL HG13 H 1 0.87 0.01 . 2 . . . . . 23 VAL MG1 . 50934 1 215 . 1 . 1 23 23 VAL CA C 13 61.61 0.01 . 1 . . . . . 23 VAL CA . 50934 1 216 . 1 . 1 23 23 VAL CB C 13 32.92 0.01 . 1 . . . . . 23 VAL CB . 50934 1 217 . 1 . 1 23 23 VAL N N 15 124.45 0.01 . 1 . . . . . 23 VAL N . 50934 1 218 . 1 . 1 24 24 ARG H H 1 8.50 0.01 . 1 . . . . . 24 ARG H . 50934 1 219 . 1 . 1 24 24 ARG HA H 1 4.25 0.01 . 1 . . . . . 24 ARG HA . 50934 1 220 . 1 . 1 24 24 ARG HB2 H 1 1.84 0.01 . 4 . . . . . 24 ARG HB2 . 50934 1 221 . 1 . 1 24 24 ARG HB3 H 1 1.84 0.01 . 4 . . . . . 24 ARG HB3 . 50934 1 222 . 1 . 1 24 24 ARG HG2 H 1 1.73 0.01 . 4 . . . . . 24 ARG HG2 . 50934 1 223 . 1 . 1 24 24 ARG HG3 H 1 1.73 0.01 . 4 . . . . . 24 ARG HG3 . 50934 1 224 . 1 . 1 24 24 ARG HD2 H 1 3.24 0.01 . 2 . . . . . 24 ARG HD2 . 50934 1 225 . 1 . 1 24 24 ARG HD3 H 1 3.24 0.01 . 2 . . . . . 24 ARG HD3 . 50934 1 226 . 1 . 1 24 24 ARG CA C 13 56.11 0.01 . 1 . . . . . 24 ARG CA . 50934 1 227 . 1 . 1 24 24 ARG CB C 13 30.51 0.01 . 1 . . . . . 24 ARG CB . 50934 1 228 . 1 . 1 24 24 ARG N N 15 126.09 0.01 . 1 . . . . . 24 ARG N . 50934 1 229 . 1 . 1 25 25 ALA H H 1 8.56 0.01 . 1 . . . . . 25 ALA H . 50934 1 230 . 1 . 1 25 25 ALA HA H 1 4.40 0.01 . 1 . . . . . 25 ALA HA . 50934 1 231 . 1 . 1 25 25 ALA HB1 H 1 1.42 0.01 . 1 . . . . . 25 ALA HB . 50934 1 232 . 1 . 1 25 25 ALA HB2 H 1 1.42 0.01 . 1 . . . . . 25 ALA HB . 50934 1 233 . 1 . 1 25 25 ALA HB3 H 1 1.42 0.01 . 1 . . . . . 25 ALA HB . 50934 1 234 . 1 . 1 25 25 ALA CA C 13 52.68 0.01 . 1 . . . . . 25 ALA CA . 50934 1 235 . 1 . 1 25 25 ALA CB C 13 19.05 0.01 . 1 . . . . . 25 ALA CB . 50934 1 236 . 1 . 1 25 25 ALA N N 15 126.55 0.01 . 1 . . . . . 25 ALA N . 50934 1 237 . 1 . 1 26 26 ALA H H 1 8.56 0.01 . 1 . . . . . 26 ALA H . 50934 1 238 . 1 . 1 26 26 ALA HA H 1 4.30 0.01 . 1 . . . . . 26 ALA HA . 50934 1 239 . 1 . 1 26 26 ALA HB1 H 1 1.40 0.01 . 1 . . . . . 26 ALA HB . 50934 1 240 . 1 . 1 26 26 ALA HB2 H 1 1.40 0.01 . 1 . . . . . 26 ALA HB . 50934 1 241 . 1 . 1 26 26 ALA HB3 H 1 1.40 0.01 . 1 . . . . . 26 ALA HB . 50934 1 242 . 1 . 1 26 26 ALA CA C 13 52.55 0.01 . 1 . . . . . 26 ALA CA . 50934 1 243 . 1 . 1 26 26 ALA CB C 13 18.73 0.01 . 1 . . . . . 26 ALA CB . 50934 1 244 . 1 . 1 26 26 ALA N N 15 124.22 0.01 . 1 . . . . . 26 ALA N . 50934 1 245 . 1 . 1 27 27 THR H H 1 8.33 0.01 . 1 . . . . . 27 THR H . 50934 1 246 . 1 . 1 27 27 THR HA H 1 4.27 0.01 . 1 . . . . . 27 THR HA . 50934 1 247 . 1 . 1 27 27 THR HB H 1 4.30 0.01 . 1 . . . . . 27 THR HB . 50934 1 248 . 1 . 1 27 27 THR HG21 H 1 1.15 0.01 . 1 . . . . . 27 THR HG1 . 50934 1 249 . 1 . 1 27 27 THR HG22 H 1 1.15 0.01 . 1 . . . . . 27 THR HG1 . 50934 1 250 . 1 . 1 27 27 THR HG23 H 1 1.15 0.01 . 1 . . . . . 27 THR HG1 . 50934 1 251 . 1 . 1 27 27 THR CA C 13 61.61 0.01 . 1 . . . . . 27 THR CA . 50934 1 252 . 1 . 1 27 27 THR CB C 13 69.72 0.01 . 1 . . . . . 27 THR CB . 50934 1 253 . 1 . 1 27 27 THR N N 15 113.02 0.01 . 1 . . . . . 27 THR N . 50934 1 254 . 1 . 1 28 28 ALA H H 1 8.57 0.01 . 1 . . . . . 28 ALA H . 50934 1 255 . 1 . 1 28 28 ALA HA H 1 4.38 0.01 . 1 . . . . . 28 ALA HA . 50934 1 256 . 1 . 1 28 28 ALA HB1 H 1 1.40 0.01 . 1 . . . . . 28 ALA HB . 50934 1 257 . 1 . 1 28 28 ALA HB2 H 1 1.40 0.01 . 1 . . . . . 28 ALA HB . 50934 1 258 . 1 . 1 28 28 ALA HB3 H 1 1.40 0.01 . 1 . . . . . 28 ALA HB . 50934 1 259 . 1 . 1 28 28 ALA CA C 13 52.69 0.01 . 1 . . . . . 28 ALA CA . 50934 1 260 . 1 . 1 28 28 ALA CB C 13 19.05 0.01 . 1 . . . . . 28 ALA CB . 50934 1 261 . 1 . 1 28 28 ALA N N 15 127.12 0.01 . 1 . . . . . 28 ALA N . 50934 1 262 . 1 . 1 29 29 THR H H 1 8.22 0.01 . 1 . . . . . 29 THR H . 50934 1 263 . 1 . 1 29 29 THR HA H 1 4.33 0.01 . 1 . . . . . 29 THR HA . 50934 1 264 . 1 . 1 29 29 THR HB H 1 4.36 0.01 . 1 . . . . . 29 THR HB . 50934 1 265 . 1 . 1 29 29 THR HG21 H 1 1.20 0.01 . 1 . . . . . 29 THR HG1 . 50934 1 266 . 1 . 1 29 29 THR HG22 H 1 1.20 0.01 . 1 . . . . . 29 THR HG1 . 50934 1 267 . 1 . 1 29 29 THR HG23 H 1 1.20 0.01 . 1 . . . . . 29 THR HG1 . 50934 1 268 . 1 . 1 29 29 THR CA C 13 61.89 0.01 . 1 . . . . . 29 THR CA . 50934 1 269 . 1 . 1 29 29 THR CB C 13 70.15 0.01 . 1 . . . . . 29 THR CB . 50934 1 270 . 1 . 1 29 29 THR N N 15 113.41 0.01 . 1 . . . . . 29 THR N . 50934 1 271 . 1 . 1 30 30 GLY H H 1 8.51 0.01 . 1 . . . . . 30 GLY H . 50934 1 272 . 1 . 1 30 30 GLY HA2 H 1 3.99 0.01 . 2 . . . . . 30 GLY HA2 . 50934 1 273 . 1 . 1 30 30 GLY CA C 13 45.16 0.01 . 1 . . . . . 30 GLY CA . 50934 1 274 . 1 . 1 30 30 GLY N N 15 111.59 0.01 . 1 . . . . . 30 GLY N . 50934 1 275 . 1 . 1 31 31 VAL H H 1 7.80 0.01 . 1 . . . . . 31 VAL H . 50934 1 276 . 1 . 1 31 31 VAL HA H 1 4.31 0.01 . 1 . . . . . 31 VAL HA . 50934 1 277 . 1 . 1 31 31 VAL HB H 1 1.99 0.01 . 1 . . . . . 31 VAL HB . 50934 1 278 . 1 . 1 31 31 VAL HG11 H 1 0.86 0.01 . 2 . . . . . 31 VAL MG1 . 50934 1 279 . 1 . 1 31 31 VAL HG12 H 1 0.86 0.01 . 2 . . . . . 31 VAL MG1 . 50934 1 280 . 1 . 1 31 31 VAL HG13 H 1 0.86 0.01 . 2 . . . . . 31 VAL MG1 . 50934 1 281 . 1 . 1 31 31 VAL CA C 13 59.12 0.01 . 1 . . . . . 31 VAL CA . 50934 1 282 . 1 . 1 31 31 VAL CB C 13 33.52 0.01 . 1 . . . . . 31 VAL CB . 50934 1 283 . 1 . 1 31 31 VAL N N 15 118.14 0.01 . 1 . . . . . 31 VAL N . 50934 1 284 . 1 . 1 32 32 PRO HA H 1 4.54 0.01 . 1 . . . . . 32 PRO HA . 50934 1 285 . 1 . 1 32 32 PRO HB2 H 1 1.97 0.01 . 2 . . . . . 32 PRO HB2 . 50934 1 286 . 1 . 1 32 32 PRO HB3 H 1 1.97 0.01 . 2 . . . . . 32 PRO HB3 . 50934 1 287 . 1 . 1 32 32 PRO HG2 H 1 2.35 0.01 . 2 . . . . . 32 PRO HG2 . 50934 1 288 . 1 . 1 32 32 PRO HG3 H 1 2.35 0.01 . 2 . . . . . 32 PRO HG3 . 50934 1 289 . 1 . 1 32 32 PRO HD2 H 1 3.88 0.01 . 2 . . . . . 32 PRO HD2 . 50934 1 290 . 1 . 1 32 32 PRO HD3 H 1 3.88 0.01 . 2 . . . . . 32 PRO HD3 . 50934 1 291 . 1 . 1 32 32 PRO CA C 13 62.90 0.01 . 1 . . . . . 32 PRO CA . 50934 1 292 . 1 . 1 32 32 PRO CB C 13 31.43 0.01 . 1 . . . . . 32 PRO CB . 50934 1 293 . 1 . 1 33 33 VAL H H 1 8.43 0.01 . 1 . . . . . 33 VAL H . 50934 1 294 . 1 . 1 33 33 VAL HA H 1 4.09 0.01 . 1 . . . . . 33 VAL HA . 50934 1 295 . 1 . 1 33 33 VAL HB H 1 2.04 0.01 . 1 . . . . . 33 VAL HB . 50934 1 296 . 1 . 1 33 33 VAL HG11 H 1 1.02 0.01 . 2 . . . . . 33 VAL MG1 . 50934 1 297 . 1 . 1 33 33 VAL HG12 H 1 1.02 0.01 . 2 . . . . . 33 VAL MG1 . 50934 1 298 . 1 . 1 33 33 VAL HG13 H 1 1.02 0.01 . 2 . . . . . 33 VAL MG1 . 50934 1 299 . 1 . 1 33 33 VAL CA C 13 61.84 0.01 . 1 . . . . . 33 VAL CA . 50934 1 300 . 1 . 1 33 33 VAL CB C 13 32.75 0.01 . 1 . . . . . 33 VAL CB . 50934 1 301 . 1 . 1 33 33 VAL N N 15 120.84 0.01 . 1 . . . . . 33 VAL N . 50934 1 302 . 1 . 1 34 34 THR H H 1 8.45 0.01 . 1 . . . . . 34 THR H . 50934 1 303 . 1 . 1 34 34 THR HA H 1 4.27 0.01 . 1 . . . . . 34 THR HA . 50934 1 304 . 1 . 1 34 34 THR HB H 1 4.23 0.01 . 1 . . . . . 34 THR HB . 50934 1 305 . 1 . 1 34 34 THR HG21 H 1 1.18 0.01 . 1 . . . . . 34 THR HG1 . 50934 1 306 . 1 . 1 34 34 THR HG22 H 1 1.18 0.01 . 1 . . . . . 34 THR HG1 . 50934 1 307 . 1 . 1 34 34 THR HG23 H 1 1.18 0.01 . 1 . . . . . 34 THR HG1 . 50934 1 308 . 1 . 1 34 34 THR CA C 13 62.13 0.01 . 1 . . . . . 34 THR CA . 50934 1 309 . 1 . 1 34 34 THR CB C 13 69.92 0.01 . 1 . . . . . 34 THR CB . 50934 1 310 . 1 . 1 34 34 THR N N 15 119.84 0.01 . 1 . . . . . 34 THR N . 50934 1 311 . 1 . 1 35 35 ILE H H 1 8.43 0.01 . 1 . . . . . 35 ILE H . 50934 1 312 . 1 . 1 35 35 ILE HA H 1 4.23 0.01 . 1 . . . . . 35 ILE HA . 50934 1 313 . 1 . 1 35 35 ILE HB H 1 1.84 0.01 . 1 . . . . . 35 ILE HB . 50934 1 314 . 1 . 1 35 35 ILE HG12 H 1 1.38 0.01 . 2 . . . . . 35 ILE HG12 . 50934 1 315 . 1 . 1 35 35 ILE HG21 H 1 1.02 0.01 . 1 . . . . . 35 ILE HG2 . 50934 1 316 . 1 . 1 35 35 ILE HG22 H 1 1.02 0.01 . 1 . . . . . 35 ILE HG2 . 50934 1 317 . 1 . 1 35 35 ILE HG23 H 1 1.02 0.01 . 1 . . . . . 35 ILE HG2 . 50934 1 318 . 1 . 1 35 35 ILE HD11 H 1 1.02 0.01 . 1 . . . . . 35 ILE HD1 . 50934 1 319 . 1 . 1 35 35 ILE HD12 H 1 1.02 0.01 . 1 . . . . . 35 ILE HD1 . 50934 1 320 . 1 . 1 35 35 ILE HD13 H 1 1.02 0.01 . 1 . . . . . 35 ILE HD1 . 50934 1 321 . 1 . 1 35 35 ILE CA C 13 60.80 0.01 . 1 . . . . . 35 ILE CA . 50934 1 322 . 1 . 1 35 35 ILE CB C 13 38.61 0.01 . 1 . . . . . 35 ILE CB . 50934 1 323 . 1 . 1 35 35 ILE N N 15 124.78 0.01 . 1 . . . . . 35 ILE N . 50934 1 324 . 1 . 1 36 36 ALA H H 1 8.57 0.01 . 1 . . . . . 36 ALA H . 50934 1 325 . 1 . 1 36 36 ALA HA H 1 4.34 0.01 . 1 . . . . . 36 ALA HA . 50934 1 326 . 1 . 1 36 36 ALA HB1 H 1 1.35 0.01 . 1 . . . . . 36 ALA HB . 50934 1 327 . 1 . 1 36 36 ALA HB2 H 1 1.35 0.01 . 1 . . . . . 36 ALA HB . 50934 1 328 . 1 . 1 36 36 ALA HB3 H 1 1.35 0.01 . 1 . . . . . 36 ALA HB . 50934 1 329 . 1 . 1 36 36 ALA CA C 13 52.32 0.01 . 1 . . . . . 36 ALA CA . 50934 1 330 . 1 . 1 36 36 ALA CB C 13 19.25 0.01 . 1 . . . . . 36 ALA CB . 50934 1 331 . 1 . 1 36 36 ALA N N 15 129.23 0.01 . 1 . . . . . 36 ALA N . 50934 1 332 . 1 . 1 37 37 LYS H H 1 8.57 0.01 . 1 . . . . . 37 LYS H . 50934 1 333 . 1 . 1 37 37 LYS HA H 1 4.27 0.01 . 1 . . . . . 37 LYS HA . 50934 1 334 . 1 . 1 37 37 LYS HB2 H 1 1.78 0.01 . 2 . . . . . 37 LYS HB2 . 50934 1 335 . 1 . 1 37 37 LYS HB3 H 1 1.78 0.01 . 2 . . . . . 37 LYS HB3 . 50934 1 336 . 1 . 1 37 37 LYS HG2 H 1 1.52 0.01 . 2 . . . . . 37 LYS HG2 . 50934 1 337 . 1 . 1 37 37 LYS HG3 H 1 1.52 0.01 . 2 . . . . . 37 LYS HG3 . 50934 1 338 . 1 . 1 37 37 LYS CA C 13 56.11 0.01 . 1 . . . . . 37 LYS CA . 50934 1 339 . 1 . 1 37 37 LYS CB C 13 32.81 0.01 . 1 . . . . . 37 LYS CB . 50934 1 340 . 1 . 1 37 37 LYS N N 15 121.76 0.01 . 1 . . . . . 37 LYS N . 50934 1 341 . 1 . 1 38 38 ALA H H 1 8.66 0.01 . 1 . . . . . 38 ALA H . 50934 1 342 . 1 . 1 38 38 ALA HA H 1 4.37 0.01 . 1 . . . . . 38 ALA HA . 50934 1 343 . 1 . 1 38 38 ALA HB1 H 1 1.29 0.01 . 1 . . . . . 38 ALA MB . 50934 1 344 . 1 . 1 38 38 ALA HB2 H 1 1.29 0.01 . 1 . . . . . 38 ALA MB . 50934 1 345 . 1 . 1 38 38 ALA HB3 H 1 1.29 0.01 . 1 . . . . . 38 ALA MB . 50934 1 346 . 1 . 1 38 38 ALA CA C 13 52.62 0.01 . 1 . . . . . 38 ALA CA . 50934 1 347 . 1 . 1 38 38 ALA CB C 13 18.73 0.01 . 1 . . . . . 38 ALA CB . 50934 1 348 . 1 . 1 38 38 ALA N N 15 126.45 0.01 . 1 . . . . . 38 ALA N . 50934 1 349 . 1 . 1 39 39 ASP H H 1 8.43 0.01 . 1 . . . . . 39 ASP H . 50934 1 350 . 1 . 1 39 39 ASP HA H 1 4.63 0.01 . 1 . . . . . 39 ASP HA . 50934 1 351 . 1 . 1 39 39 ASP HB2 H 1 2.76 0.01 . 2 . . . . . 39 ASP HB2 . 50934 1 352 . 1 . 1 39 39 ASP HB3 H 1 2.76 0.01 . 2 . . . . . 39 ASP HB3 . 50934 1 353 . 1 . 1 39 39 ASP CA C 13 54.25 0.01 . 1 . . . . . 39 ASP CA . 50934 1 354 . 1 . 1 39 39 ASP CB C 13 41.35 0.01 . 1 . . . . . 39 ASP CB . 50934 1 355 . 1 . 1 39 39 ASP N N 15 119.61 0.01 . 1 . . . . . 39 ASP N . 50934 1 356 . 1 . 1 40 40 GLY H H 1 8.46 0.01 . 1 . . . . . 40 GLY H . 50934 1 357 . 1 . 1 40 40 GLY HA2 H 1 3.94 0.01 . 2 . . . . . 40 GLY HA2 . 50934 1 358 . 1 . 1 40 40 GLY CA C 13 45.22 0.01 . 1 . . . . . 40 GLY CA . 50934 1 359 . 1 . 1 40 40 GLY N N 15 109.15 0.01 . 1 . . . . . 40 GLY N . 50934 1 360 . 1 . 1 41 41 SER H H 1 8.37 0.01 . 1 . . . . . 41 SER H . 50934 1 361 . 1 . 1 41 41 SER HA H 1 4.71 0.01 . 1 . . . . . 41 SER HA . 50934 1 362 . 1 . 1 41 41 SER HB2 H 1 3.85 0.01 . 2 . . . . . 41 SER HB2 . 50934 1 363 . 1 . 1 41 41 SER CA C 13 56.97 0.01 . 1 . . . . . 41 SER CA . 50934 1 364 . 1 . 1 41 41 SER CB C 13 62.94 0.01 . 1 . . . . . 41 SER CB . 50934 1 365 . 1 . 1 41 41 SER N N 15 117.62 0.01 . 1 . . . . . 41 SER N . 50934 1 366 . 1 . 1 42 42 PRO HA H 1 4.49 0.01 . 1 . . . . . 42 PRO HA . 50934 1 367 . 1 . 1 42 42 PRO HB2 H 1 2.03 0.01 . 2 . . . . . 42 PRO HB2 . 50934 1 368 . 1 . 1 42 42 PRO HB3 H 1 2.03 0.01 . 2 . . . . . 42 PRO HB3 . 50934 1 369 . 1 . 1 42 42 PRO HG2 H 1 2.32 0.01 . 2 . . . . . 42 PRO HG2 . 50934 1 370 . 1 . 1 42 42 PRO HG3 H 1 2.32 0.01 . 2 . . . . . 42 PRO HG3 . 50934 1 371 . 1 . 1 42 42 PRO HD2 H 1 3.85 0.01 . 2 . . . . . 42 PRO HD2 . 50934 1 372 . 1 . 1 42 42 PRO HD3 H 1 3.85 0.01 . 2 . . . . . 42 PRO HD3 . 50934 1 373 . 1 . 1 42 42 PRO CA C 13 63.10 0.01 . 1 . . . . . 42 PRO CA . 50934 1 374 . 1 . 1 42 42 PRO CB C 13 31.83 0.01 . 1 . . . . . 42 PRO CB . 50934 1 375 . 1 . 1 43 43 VAL H H 1 8.50 0.01 . 1 . . . . . 43 VAL H . 50934 1 376 . 1 . 1 43 43 VAL HA H 1 4.16 0.01 . 1 . . . . . 43 VAL HA . 50934 1 377 . 1 . 1 43 43 VAL HB H 1 2.01 0.01 . 1 . . . . . 43 VAL HB . 50934 1 378 . 1 . 1 43 43 VAL HG11 H 1 0.94 0.01 . 2 . . . . . 43 VAL MG1 . 50934 1 379 . 1 . 1 43 43 VAL HG12 H 1 0.94 0.01 . 2 . . . . . 43 VAL MG1 . 50934 1 380 . 1 . 1 43 43 VAL HG13 H 1 0.94 0.01 . 2 . . . . . 43 VAL MG1 . 50934 1 381 . 1 . 1 43 43 VAL CA C 13 62.45 0.01 . 1 . . . . . 43 VAL CA . 50934 1 382 . 1 . 1 43 43 VAL CB C 13 32.53 0.01 . 1 . . . . . 43 VAL CB . 50934 1 383 . 1 . 1 43 43 VAL N N 15 121.47 0.01 . 1 . . . . . 43 VAL N . 50934 1 384 . 1 . 1 44 44 ASN H H 1 8.63 0.01 . 1 . . . . . 44 ASN H . 50934 1 385 . 1 . 1 44 44 ASN HA H 1 4.79 0.01 . 1 . . . . . 44 ASN HA . 50934 1 386 . 1 . 1 44 44 ASN HB2 H 1 2.79 0.01 . 2 . . . . . 44 ASN HB2 . 50934 1 387 . 1 . 1 44 44 ASN HB3 H 1 2.79 0.01 . 2 . . . . . 44 ASN HB3 . 50934 1 388 . 1 . 1 44 44 ASN CA C 13 52.92 0.01 . 1 . . . . . 44 ASN CA . 50934 1 389 . 1 . 1 44 44 ASN CB C 13 38.83 0.01 . 1 . . . . . 44 ASN CB . 50934 1 390 . 1 . 1 44 44 ASN N N 15 122.47 0.01 . 1 . . . . . 44 ASN N . 50934 1 391 . 1 . 1 45 45 ALA H H 1 8.51 0.01 . 1 . . . . . 45 ALA H . 50934 1 392 . 1 . 1 45 45 ALA HA H 1 4.27 0.01 . 1 . . . . . 45 ALA HA . 50934 1 393 . 1 . 1 45 45 ALA HB1 H 1 1.41 0.01 . 1 . . . . . 45 ALA MB . 50934 1 394 . 1 . 1 45 45 ALA HB2 H 1 1.41 0.01 . 1 . . . . . 45 ALA MB . 50934 1 395 . 1 . 1 45 45 ALA HB3 H 1 1.41 0.01 . 1 . . . . . 45 ALA MB . 50934 1 396 . 1 . 1 45 45 ALA CA C 13 52.82 0.01 . 1 . . . . . 45 ALA CA . 50934 1 397 . 1 . 1 45 45 ALA CB C 13 19.05 0.01 . 1 . . . . . 45 ALA CB . 50934 1 398 . 1 . 1 45 45 ALA N N 15 125.37 0.01 . 1 . . . . . 45 ALA N . 50934 1 399 . 1 . 1 46 46 ALA H H 1 8.48 0.01 . 1 . . . . . 46 ALA H . 50934 1 400 . 1 . 1 46 46 ALA HA H 1 4.34 0.01 . 1 . . . . . 46 ALA HA . 50934 1 401 . 1 . 1 46 46 ALA HB1 H 1 1.41 0.01 . 1 . . . . . 46 ALA HB . 50934 1 402 . 1 . 1 46 46 ALA HB2 H 1 1.41 0.01 . 1 . . . . . 46 ALA HB . 50934 1 403 . 1 . 1 46 46 ALA HB3 H 1 1.41 0.01 . 1 . . . . . 46 ALA HB . 50934 1 404 . 1 . 1 46 46 ALA CA C 13 52.32 0.01 . 1 . . . . . 46 ALA CA . 50934 1 405 . 1 . 1 46 46 ALA CB C 13 19.05 0.01 . 1 . . . . . 46 ALA CB . 50934 1 406 . 1 . 1 46 46 ALA N N 15 123.23 0.01 . 1 . . . . . 46 ALA N . 50934 1 407 . 1 . 1 47 47 SER H H 1 8.41 0.01 . 1 . . . . . 47 SER H . 50934 1 408 . 1 . 1 47 47 SER HA H 1 4.50 0.01 . 1 . . . . . 47 SER HA . 50934 1 409 . 1 . 1 47 47 SER HB2 H 1 3.89 0.01 . 2 . . . . . 47 SER HB2 . 50934 1 410 . 1 . 1 47 47 SER HB3 H 1 3.89 0.01 . 2 . . . . . 47 SER HB3 . 50934 1 411 . 1 . 1 47 47 SER CA C 13 58.41 0.01 . 1 . . . . . 47 SER CA . 50934 1 412 . 1 . 1 47 47 SER CB C 13 63.45 0.01 . 1 . . . . . 47 SER CB . 50934 1 413 . 1 . 1 47 47 SER N N 15 115.81 0.01 . 1 . . . . . 47 SER N . 50934 1 stop_ save_