################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7035 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 '1H15N HSQC' 1 $sample_1 isotropic 7035 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRview . . 7035 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 ILE H H 1 8.328 0.005 . . . . . . 1 ILE HN . 7035 1 2 . 1 1 1 1 ILE HA H 1 4.669 0.005 . . . . . . 1 ILE HA . 7035 1 3 . 1 1 1 1 ILE HB H 1 1.775 0.005 . . . . . . 1 ILE HB . 7035 1 4 . 1 1 1 1 ILE HG12 H 1 1.1 0.005 . . . . . . 1 ILE HG1 . 7035 1 5 . 1 1 1 1 ILE HG13 H 1 1.1 0.005 . . . . . . 1 ILE HG1 . 7035 1 6 . 1 1 1 1 ILE HG21 H 1 1.1 0.005 . . . . . . 1 ILE HG2 . 7035 1 7 . 1 1 1 1 ILE HG22 H 1 1.1 0.005 . . . . . . 1 ILE HG2 . 7035 1 8 . 1 1 1 1 ILE HG23 H 1 1.1 0.005 . . . . . . 1 ILE HG2 . 7035 1 9 . 1 1 1 1 ILE HD11 H 1 0.976 0.005 . . . . . . 1 ILE HD1 . 7035 1 10 . 1 1 1 1 ILE HD12 H 1 0.976 0.005 . . . . . . 1 ILE HD1 . 7035 1 11 . 1 1 1 1 ILE HD13 H 1 0.976 0.005 . . . . . . 1 ILE HD1 . 7035 1 12 . 1 1 1 1 ILE CA C 13 55.93 0.01 . . . . . . 1 ILE CA . 7035 1 13 . 1 1 1 1 ILE CB C 13 39.428 0.01 . . . . . . 1 ILE CB . 7035 1 14 . 1 1 1 1 ILE N N 15 122.578 0.01 . . . . . . 1 ILE N . 7035 1 15 . 1 1 3 3 ALA H H 1 8.796 0.005 . . . . . . 3 ALA HN . 7035 1 16 . 1 1 3 3 ALA HA H 1 5.003 0.005 . . . . . . 3 ALA HA . 7035 1 17 . 1 1 3 3 ALA HB1 H 1 1.235 0.005 . . . . . . 3 ALA HB . 7035 1 18 . 1 1 3 3 ALA HB2 H 1 1.235 0.005 . . . . . . 3 ALA HB . 7035 1 19 . 1 1 3 3 ALA HB3 H 1 1.235 0.005 . . . . . . 3 ALA HB . 7035 1 20 . 1 1 3 3 ALA N N 15 121.289 0.01 . . . . . . 3 ALA N . 7035 1 21 . 1 1 4 4 PHE H H 1 8.885 0.005 . . . . . . 4 PHE HN . 7035 1 22 . 1 1 4 4 PHE HA H 1 4.983 0.005 . . . . . . 4 PHE HA . 7035 1 23 . 1 1 4 4 PHE HB2 H 1 3.063 0.005 . . . . . . 4 PHE HB1 . 7035 1 24 . 1 1 4 4 PHE HB3 H 1 2.294 0.005 . . . . . . 4 PHE HB2 . 7035 1 25 . 1 1 4 4 PHE CA C 13 54.489 0.01 . . . . . . 4 PHE CA . 7035 1 26 . 1 1 4 4 PHE CB C 13 40.076 0.01 . . . . . . 4 PHE CB . 7035 1 27 . 1 1 4 4 PHE N N 15 122.043 0.01 . . . . . . 4 PHE N . 7035 1 28 . 1 1 5 5 VAL H H 1 8.347 0.005 . . . . . . 5 VAL HN . 7035 1 29 . 1 1 5 5 VAL HA H 1 3.71 0.005 . . . . . . 5 VAL HA . 7035 1 30 . 1 1 5 5 VAL HB H 1 1.779 0.005 . . . . . . 5 VAL HB . 7035 1 31 . 1 1 5 5 VAL HG11 H 1 0.471 0.005 . . . . . . 5 VAL HG1 . 7035 1 32 . 1 1 5 5 VAL HG12 H 1 0.471 0.005 . . . . . . 5 VAL HG1 . 7035 1 33 . 1 1 5 5 VAL HG13 H 1 0.471 0.005 . . . . . . 5 VAL HG1 . 7035 1 34 . 1 1 5 5 VAL HG21 H 1 0.471 0.005 . . . . . . 5 VAL HG2 . 7035 1 35 . 1 1 5 5 VAL HG22 H 1 0.471 0.005 . . . . . . 5 VAL HG2 . 7035 1 36 . 1 1 5 5 VAL HG23 H 1 0.471 0.005 . . . . . . 5 VAL HG2 . 7035 1 37 . 1 1 5 5 VAL CA C 13 61.695 0.01 . . . . . . 5 VAL CA . 7035 1 38 . 1 1 5 5 VAL CB C 13 29.699 0.01 . . . . . . 5 VAL CB . 7035 1 39 . 1 1 5 5 VAL N N 15 125.347 0.01 . . . . . . 5 VAL N . 7035 1 40 . 1 1 6 6 LYS H H 1 8.529 0.005 . . . . . . 6 LYS HN . 7035 1 41 . 1 1 6 6 LYS HA H 1 3.871 0.005 . . . . . . 6 LYS HA . 7035 1 42 . 1 1 6 6 LYS HB2 H 1 1.107 0.005 . . . . . . 6 LYS HB2 . 7035 1 43 . 1 1 6 6 LYS HG2 H 1 1.017 0.005 . . . . . . 6 LYS HG2 . 7035 1 44 . 1 1 6 6 LYS HD2 H 1 0.999 0.005 . . . . . . 6 LYS HD1 . 7035 1 45 . 1 1 6 6 LYS HD3 H 1 0.999 0.005 . . . . . . 6 LYS HD2 . 7035 1 46 . 1 1 6 6 LYS CA C 13 55.425 0.01 . . . . . . 6 LYS CA . 7035 1 47 . 1 1 6 6 LYS CB C 13 31.717 0.01 . . . . . . 6 LYS CB . 7035 1 48 . 1 1 6 6 LYS N N 15 107.786 0.01 . . . . . . 6 LYS N . 7035 1 49 . 1 1 7 7 PHE H H 1 7.31 0.005 . . . . . . 7 PHE HN . 7035 1 50 . 1 1 7 7 PHE HA H 1 4.681 0.005 . . . . . . 7 PHE HA . 7035 1 51 . 1 1 7 7 PHE HB2 H 1 3.061 0.005 . . . . . . 7 PHE HB1 . 7035 1 52 . 1 1 7 7 PHE HB3 H 1 2.461 0.005 . . . . . . 7 PHE HB2 . 7035 1 53 . 1 1 7 7 PHE CA C 13 52.831 0.01 . . . . . . 7 PHE CA . 7035 1 54 . 1 1 7 7 PHE CB C 13 40.437 0.01 . . . . . . 7 PHE CB . 7035 1 55 . 1 1 7 7 PHE N N 15 114.832 0.01 . . . . . . 7 PHE N . 7035 1 56 . 1 1 8 8 ALA H H 1 8.269 0.005 . . . . . . 8 ALA HN . 7035 1 57 . 1 1 8 8 ALA HA H 1 3.969 0.005 . . . . . . 8 ALA HA . 7035 1 58 . 1 1 8 8 ALA HB1 H 1 1.406 0.005 . . . . . . 8 ALA HB . 7035 1 59 . 1 1 8 8 ALA HB2 H 1 1.406 0.005 . . . . . . 8 ALA HB . 7035 1 60 . 1 1 8 8 ALA HB3 H 1 1.406 0.005 . . . . . . 8 ALA HB . 7035 1 61 . 1 1 8 8 ALA CA C 13 49.877 0.01 . . . . . . 8 ALA CA . 7035 1 62 . 1 1 8 8 ALA CB C 13 17.521 0.01 . . . . . . 8 ALA CB . 7035 1 63 . 1 1 8 8 ALA N N 15 120.069 0.01 . . . . . . 8 ALA N . 7035 1 64 . 1 1 9 9 TYR H H 1 8.117 0.005 . . . . . . 9 TYR HN . 7035 1 65 . 1 1 9 9 TYR HA H 1 4.797 0.005 . . . . . . 9 TYR HA . 7035 1 66 . 1 1 9 9 TYR HB2 H 1 2.806 0.005 . . . . . . 9 TYR HB1 . 7035 1 67 . 1 1 9 9 TYR HB3 H 1 2.403 0.005 . . . . . . 9 TYR HB2 . 7035 1 68 . 1 1 9 9 TYR CA C 13 55.498 0.01 . . . . . . 9 TYR CA . 7035 1 69 . 1 1 9 9 TYR CB C 13 40.653 0.01 . . . . . . 9 TYR CB . 7035 1 70 . 1 1 9 9 TYR N N 15 119.183 0.01 . . . . . . 9 TYR N . 7035 1 71 . 1 1 10 10 VAL H H 1 7.706 0.005 . . . . . . 10 VAL HN . 7035 1 72 . 1 1 10 10 VAL HA H 1 3.901 0.005 . . . . . . 10 VAL HA . 7035 1 73 . 1 1 10 10 VAL HB H 1 1.655 0.005 . . . . . . 10 VAL HB . 7035 1 74 . 1 1 10 10 VAL HG11 H 1 0.786 0.005 . . . . . . 10 VAL HG1 . 7035 1 75 . 1 1 10 10 VAL HG12 H 1 0.786 0.005 . . . . . . 10 VAL HG1 . 7035 1 76 . 1 1 10 10 VAL HG13 H 1 0.786 0.005 . . . . . . 10 VAL HG1 . 7035 1 77 . 1 1 10 10 VAL HG21 H 1 0.786 0.005 . . . . . . 10 VAL HG2 . 7035 1 78 . 1 1 10 10 VAL HG22 H 1 0.786 0.005 . . . . . . 10 VAL HG2 . 7035 1 79 . 1 1 10 10 VAL HG23 H 1 0.786 0.005 . . . . . . 10 VAL HG2 . 7035 1 80 . 1 1 10 10 VAL CA C 13 59.029 0.01 . . . . . . 10 VAL CA . 7035 1 81 . 1 1 10 10 VAL CB C 13 30.06 0.01 . . . . . . 10 VAL CB . 7035 1 82 . 1 1 10 10 VAL N N 15 107.779 0.01 . . . . . . 10 VAL N . 7035 1 83 . 1 1 11 11 ALA H H 1 8.147 0.005 . . . . . . 11 ALA HN . 7035 1 84 . 1 1 11 11 ALA HA H 1 4.128 0.005 . . . . . . 11 ALA HA . 7035 1 85 . 1 1 11 11 ALA HB1 H 1 1.385 0.005 . . . . . . 11 ALA HB . 7035 1 86 . 1 1 11 11 ALA HB2 H 1 1.385 0.005 . . . . . . 11 ALA HB . 7035 1 87 . 1 1 11 11 ALA HB3 H 1 1.385 0.005 . . . . . . 11 ALA HB . 7035 1 88 . 1 1 11 11 ALA CA C 13 51.246 0.01 . . . . . . 11 ALA CA . 7035 1 89 . 1 1 11 11 ALA CB C 13 18.025 0.01 . . . . . . 11 ALA CB . 7035 1 90 . 1 1 11 11 ALA N N 15 127.767 0.01 . . . . . . 11 ALA N . 7035 1 91 . 1 1 12 12 GLU H H 1 8.809 0.005 . . . . . . 12 GLU HN . 7035 1 92 . 1 1 12 12 GLU HA H 1 4.37 0.005 . . . . . . 12 GLU HA . 7035 1 93 . 1 1 12 12 GLU HB2 H 1 2.202 0.005 . . . . . . 12 GLU HB1 . 7035 1 94 . 1 1 12 12 GLU HB3 H 1 2.078 0.005 . . . . . . 12 GLU HB2 . 7035 1 95 . 1 1 12 12 GLU HG2 H 1 2.52 0.005 . . . . . . 12 GLU HG1 . 7035 1 96 . 1 1 12 12 GLU HG3 H 1 2.313 0.005 . . . . . . 12 GLU HG2 . 7035 1 97 . 1 1 12 12 GLU CA C 13 54.128 0.01 . . . . . . 12 GLU CA . 7035 1 98 . 1 1 12 12 GLU CB C 13 29.915 0.01 . . . . . . 12 GLU CB . 7035 1 99 . 1 1 12 12 GLU N N 15 120.355 0.01 . . . . . . 12 GLU N . 7035 1 100 . 1 1 13 13 ARG H H 1 7.224 0.005 . . . . . . 13 ARG HN . 7035 1 101 . 1 1 13 13 ARG HA H 1 4.62 0.005 . . . . . . 13 ARG HA . 7035 1 102 . 1 1 13 13 ARG HB2 H 1 2.054 0.005 . . . . . . 13 ARG HB1 . 7035 1 103 . 1 1 13 13 ARG HB3 H 1 1.637 0.005 . . . . . . 13 ARG HB2 . 7035 1 104 . 1 1 13 13 ARG HG2 H 1 1.571 0.005 . . . . . . 13 ARG HG1 . 7035 1 105 . 1 1 13 13 ARG HG3 H 1 1.571 0.005 . . . . . . 13 ARG HG2 . 7035 1 106 . 1 1 13 13 ARG HD2 H 1 3.054 0.005 . . . . . . 13 ARG HD1 . 7035 1 107 . 1 1 13 13 ARG HD3 H 1 3.054 0.005 . . . . . . 13 ARG HD2 . 7035 1 108 . 1 1 13 13 ARG CA C 13 52.039 0.01 . . . . . . 13 ARG CA . 7035 1 109 . 1 1 13 13 ARG CB C 13 32.366 0.01 . . . . . . 13 ARG CB . 7035 1 110 . 1 1 13 13 ARG N N 15 115.427 0.01 . . . . . . 13 ARG N . 7035 1 111 . 1 1 14 14 GLU H H 1 9.035 0.005 . . . . . . 14 GLU HN . 7035 1 112 . 1 1 14 14 GLU HA H 1 4.771 0.005 . . . . . . 14 GLU HA . 7035 1 113 . 1 1 14 14 GLU HB2 H 1 2.101 0.005 . . . . . . 14 GLU HB1 . 7035 1 114 . 1 1 14 14 GLU HB3 H 1 2.101 0.005 . . . . . . 14 GLU HB2 . 7035 1 115 . 1 1 14 14 GLU CA C 13 57.083 0.01 . . . . . . 14 GLU CA . 7035 1 116 . 1 1 14 14 GLU CB C 13 27.465 0.01 . . . . . . 14 GLU CB . 7035 1 117 . 1 1 14 14 GLU N N 15 119.519 0.01 . . . . . . 14 GLU N . 7035 1 118 . 1 1 15 15 ASP H H 1 8.494 0.005 . . . . . . 15 ASP HN . 7035 1 119 . 1 1 15 15 ASP HA H 1 4.907 0.005 . . . . . . 15 ASP HA . 7035 1 120 . 1 1 15 15 ASP HB2 H 1 3.323 0.005 . . . . . . 15 ASP HB2 . 7035 1 121 . 1 1 15 15 ASP CA C 13 51.174 0.01 . . . . . . 15 ASP CA . 7035 1 122 . 1 1 15 15 ASP CB C 13 37.842 0.01 . . . . . . 15 ASP CB . 7035 1 123 . 1 1 15 15 ASP N N 15 115.313 0.01 . . . . . . 15 ASP N . 7035 1 124 . 1 1 16 16 GLU H H 1 7.618 0.005 . . . . . . 16 GLU HN . 7035 1 125 . 1 1 16 16 GLU HA H 1 5.566 0.005 . . . . . . 16 GLU HA . 7035 1 126 . 1 1 16 16 GLU HB2 H 1 2.405 0.005 . . . . . . 16 GLU HB1 . 7035 1 127 . 1 1 16 16 GLU HB3 H 1 2.405 0.005 . . . . . . 16 GLU HB2 . 7035 1 128 . 1 1 16 16 GLU HG2 H 1 2.598 0.005 . . . . . . 16 GLU HG1 . 7035 1 129 . 1 1 16 16 GLU HG3 H 1 2.519 0.005 . . . . . . 16 GLU HG2 . 7035 1 130 . 1 1 16 16 GLU CA C 13 53.336 0.01 . . . . . . 16 GLU CA . 7035 1 131 . 1 1 16 16 GLU CB C 13 31.285 0.01 . . . . . . 16 GLU CB . 7035 1 132 . 1 1 16 16 GLU N N 15 117.936 0.01 . . . . . . 16 GLU N . 7035 1 133 . 1 1 17 17 LEU H H 1 8.769 0.005 . . . . . . 17 LEU HN . 7035 1 134 . 1 1 17 17 LEU HA H 1 4.626 0.005 . . . . . . 17 LEU HA . 7035 1 135 . 1 1 17 17 LEU HB2 H 1 1.757 0.005 . . . . . . 17 LEU HB2 . 7035 1 136 . 1 1 17 17 LEU HG H 1 1.575 0.005 . . . . . . 17 LEU HG . 7035 1 137 . 1 1 17 17 LEU HD11 H 1 0.941 0.005 . . . . . . 17 LEU HD1 . 7035 1 138 . 1 1 17 17 LEU HD12 H 1 0.941 0.005 . . . . . . 17 LEU HD1 . 7035 1 139 . 1 1 17 17 LEU HD13 H 1 0.941 0.005 . . . . . . 17 LEU HD1 . 7035 1 140 . 1 1 17 17 LEU HD21 H 1 0.941 0.005 . . . . . . 17 LEU HD2 . 7035 1 141 . 1 1 17 17 LEU HD22 H 1 0.941 0.005 . . . . . . 17 LEU HD2 . 7035 1 142 . 1 1 17 17 LEU HD23 H 1 0.941 0.005 . . . . . . 17 LEU HD2 . 7035 1 143 . 1 1 17 17 LEU CA C 13 51.102 0.01 . . . . . . 17 LEU CA . 7035 1 144 . 1 1 17 17 LEU CB C 13 44.544 0.01 . . . . . . 17 LEU CB . 7035 1 145 . 1 1 17 17 LEU N N 15 124.801 0.01 . . . . . . 17 LEU N . 7035 1 146 . 1 1 18 18 SER H H 1 8.027 0.005 . . . . . . 18 SER HN . 7035 1 147 . 1 1 18 18 SER HA H 1 4.727 0.005 . . . . . . 18 SER HA . 7035 1 148 . 1 1 18 18 SER HB2 H 1 3.961 0.005 . . . . . . 18 SER HB1 . 7035 1 149 . 1 1 18 18 SER HB3 H 1 3.884 0.005 . . . . . . 18 SER HB2 . 7035 1 150 . 1 1 18 18 SER CA C 13 57.371 0.01 . . . . . . 18 SER CA . 7035 1 151 . 1 1 18 18 SER CB C 13 61.479 0.01 . . . . . . 18 SER CB . 7035 1 152 . 1 1 18 18 SER N N 15 118.761 0.01 . . . . . . 18 SER N . 7035 1 153 . 1 1 19 19 LEU H H 1 9.085 0.005 . . . . . . 19 LEU HN . 7035 1 154 . 1 1 19 19 LEU HA H 1 4.563 0.005 . . . . . . 19 LEU HA . 7035 1 155 . 1 1 19 19 LEU HB2 H 1 1.711 0.005 . . . . . . 19 LEU HB1 . 7035 1 156 . 1 1 19 19 LEU HB3 H 1 1.711 0.005 . . . . . . 19 LEU HB2 . 7035 1 157 . 1 1 19 19 LEU HD11 H 1 1.182 0.005 . . . . . . 19 LEU HD1 . 7035 1 158 . 1 1 19 19 LEU HD12 H 1 1.182 0.005 . . . . . . 19 LEU HD1 . 7035 1 159 . 1 1 19 19 LEU HD13 H 1 1.182 0.005 . . . . . . 19 LEU HD1 . 7035 1 160 . 1 1 19 19 LEU HD21 H 1 1.182 0.005 . . . . . . 19 LEU HD2 . 7035 1 161 . 1 1 19 19 LEU HD22 H 1 1.182 0.005 . . . . . . 19 LEU HD2 . 7035 1 162 . 1 1 19 19 LEU HD23 H 1 1.182 0.005 . . . . . . 19 LEU HD2 . 7035 1 163 . 1 1 19 19 LEU CA C 13 50.021 0.01 . . . . . . 19 LEU CA . 7035 1 164 . 1 1 19 19 LEU CB C 13 42.742 0.01 . . . . . . 19 LEU CB . 7035 1 165 . 1 1 19 19 LEU N N 15 121.673 0.01 . . . . . . 19 LEU N . 7035 1 166 . 1 1 20 20 VAL H H 1 8.598 0.005 . . . . . . 20 VAL HN . 7035 1 167 . 1 1 20 20 VAL HA H 1 4.474 0.005 . . . . . . 20 VAL HA . 7035 1 168 . 1 1 20 20 VAL HG11 H 1 1.535 0.005 . . . . . . 20 VAL HG1 . 7035 1 169 . 1 1 20 20 VAL HG12 H 1 1.535 0.005 . . . . . . 20 VAL HG1 . 7035 1 170 . 1 1 20 20 VAL HG13 H 1 1.535 0.005 . . . . . . 20 VAL HG1 . 7035 1 171 . 1 1 20 20 VAL HG21 H 1 0.866 0.005 . . . . . . 20 VAL HG2 . 7035 1 172 . 1 1 20 20 VAL HG22 H 1 0.866 0.005 . . . . . . 20 VAL HG2 . 7035 1 173 . 1 1 20 20 VAL HG23 H 1 0.866 0.005 . . . . . . 20 VAL HG2 . 7035 1 174 . 1 1 20 20 VAL CA C 13 58.596 0.01 . . . . . . 20 VAL CA . 7035 1 175 . 1 1 20 20 VAL CB C 13 30.78 0.01 . . . . . . 20 VAL CB . 7035 1 176 . 1 1 20 20 VAL N N 15 124.007 0.01 . . . . . . 20 VAL N . 7035 1 177 . 1 1 21 21 LYS H H 1 8.842 0.005 . . . . . . 21 LYS HN . 7035 1 178 . 1 1 21 21 LYS HA H 1 4.766 0.005 . . . . . . 21 LYS HA . 7035 1 179 . 1 1 21 21 LYS HB2 H 1 1.537 0.005 . . . . . . 21 LYS HB1 . 7035 1 180 . 1 1 21 21 LYS HB3 H 1 1.537 0.005 . . . . . . 21 LYS HB2 . 7035 1 181 . 1 1 21 21 LYS HG2 H 1 0.871 0.005 . . . . . . 21 LYS HG1 . 7035 1 182 . 1 1 21 21 LYS HG3 H 1 0.871 0.005 . . . . . . 21 LYS HG2 . 7035 1 183 . 1 1 21 21 LYS HD2 H 1 1.395 0.005 . . . . . . 21 LYS HD1 . 7035 1 184 . 1 1 21 21 LYS HD3 H 1 1.395 0.005 . . . . . . 21 LYS HD2 . 7035 1 185 . 1 1 21 21 LYS HE3 H 1 3.231 0.005 . . . . . . 21 LYS HE2 . 7035 1 186 . 1 1 21 21 LYS CA C 13 57.227 0.01 . . . . . . 21 LYS CA . 7035 1 187 . 1 1 21 21 LYS CB C 13 30.348 0.01 . . . . . . 21 LYS CB . 7035 1 188 . 1 1 21 21 LYS N N 15 108.804 0.01 . . . . . . 21 LYS N . 7035 1 189 . 1 1 22 22 GLY H H 1 8.522 0.005 . . . . . . 22 GLY HN . 7035 1 190 . 1 1 22 22 GLY HA2 H 1 4.137 0.005 . . . . . . 22 GLY HA1 . 7035 1 191 . 1 1 22 22 GLY HA3 H 1 3.47 0.005 . . . . . . 22 GLY HA2 . 7035 1 192 . 1 1 22 22 GLY CA C 13 43.031 0.01 . . . . . . 22 GLY CA . 7035 1 193 . 1 1 22 22 GLY N N 15 114.074 0.01 . . . . . . 22 GLY N . 7035 1 194 . 1 1 23 23 SER H H 1 7.377 0.005 . . . . . . 23 SER HN . 7035 1 195 . 1 1 23 23 SER HA H 1 4.503 0.005 . . . . . . 23 SER HA . 7035 1 196 . 1 1 23 23 SER HB2 H 1 3.97 0.005 . . . . . . 23 SER HB1 . 7035 1 197 . 1 1 23 23 SER HB3 H 1 3.56 0.005 . . . . . . 23 SER HB2 . 7035 1 198 . 1 1 23 23 SER CA C 13 55.714 0.01 . . . . . . 23 SER CA . 7035 1 199 . 1 1 23 23 SER CB C 13 63.713 0.01 . . . . . . 23 SER CB . 7035 1 200 . 1 1 23 23 SER N N 15 114.184 0.01 . . . . . . 23 SER N . 7035 1 201 . 1 1 24 24 ARG H H 1 8.124 0.005 . . . . . . 24 ARG HN . 7035 1 202 . 1 1 24 24 ARG HA H 1 5.303 0.005 . . . . . . 24 ARG HA . 7035 1 203 . 1 1 24 24 ARG HB2 H 1 1.712 0.005 . . . . . . 24 ARG HB1 . 7035 1 204 . 1 1 24 24 ARG HB3 H 1 1.712 0.005 . . . . . . 24 ARG HB2 . 7035 1 205 . 1 1 24 24 ARG HG2 H 1 1.516 0.005 . . . . . . 24 ARG HG1 . 7035 1 206 . 1 1 24 24 ARG HG3 H 1 1.516 0.005 . . . . . . 24 ARG HG2 . 7035 1 207 . 1 1 24 24 ARG HD2 H 1 3.162 0.005 . . . . . . 24 ARG HD1 . 7035 1 208 . 1 1 24 24 ARG HD3 H 1 3.162 0.005 . . . . . . 24 ARG HD2 . 7035 1 209 . 1 1 24 24 ARG CA C 13 52.543 0.01 . . . . . . 24 ARG CA . 7035 1 210 . 1 1 24 24 ARG CB C 13 30.636 0.01 . . . . . . 24 ARG CB . 7035 1 211 . 1 1 24 24 ARG N N 15 116.761 0.01 . . . . . . 24 ARG N . 7035 1 212 . 1 1 25 25 VAL H H 1 8.853 0.005 . . . . . . 25 VAL HN . 7035 1 213 . 1 1 25 25 VAL HA H 1 4.752 0.005 . . . . . . 25 VAL HA . 7035 1 214 . 1 1 25 25 VAL HB H 1 1.733 0.005 . . . . . . 25 VAL HB . 7035 1 215 . 1 1 25 25 VAL HG21 H 1 0.461 0.005 . . . . . . 25 VAL HG2 . 7035 1 216 . 1 1 25 25 VAL HG22 H 1 0.461 0.005 . . . . . . 25 VAL HG2 . 7035 1 217 . 1 1 25 25 VAL HG23 H 1 0.461 0.005 . . . . . . 25 VAL HG2 . 7035 1 218 . 1 1 25 25 VAL CA C 13 57.371 0.01 . . . . . . 25 VAL CA . 7035 1 219 . 1 1 25 25 VAL CB C 13 32.798 0.01 . . . . . . 25 VAL CB . 7035 1 220 . 1 1 25 25 VAL N N 15 119.112 0.01 . . . . . . 25 VAL N . 7035 1 221 . 1 1 26 26 THR H H 1 8.4 0.005 . . . . . . 26 THR HN . 7035 1 222 . 1 1 26 26 THR HA H 1 4.589 0.005 . . . . . . 26 THR HA . 7035 1 223 . 1 1 26 26 THR HB H 1 4.196 0.005 . . . . . . 26 THR HB . 7035 1 224 . 1 1 26 26 THR HG21 H 1 1.074 0.005 . . . . . . 26 THR HG1 . 7035 1 225 . 1 1 26 26 THR HG22 H 1 1.074 0.005 . . . . . . 26 THR HG1 . 7035 1 226 . 1 1 26 26 THR HG23 H 1 1.074 0.005 . . . . . . 26 THR HG1 . 7035 1 227 . 1 1 26 26 THR CA C 13 60.11 0.01 . . . . . . 26 THR CA . 7035 1 228 . 1 1 26 26 THR CB C 13 67.532 0.01 . . . . . . 26 THR CB . 7035 1 229 . 1 1 26 26 THR N N 15 119.171 0.01 . . . . . . 26 THR N . 7035 1 230 . 1 1 27 27 VAL H H 1 9.666 0.005 . . . . . . 27 VAL HN . 7035 1 231 . 1 1 27 27 VAL HA H 1 3.971 0.005 . . . . . . 27 VAL HA . 7035 1 232 . 1 1 27 27 VAL HB H 1 2.218 0.005 . . . . . . 27 VAL HB . 7035 1 233 . 1 1 27 27 VAL HG11 H 1 1.227 0.005 . . . . . . 27 VAL HG1 . 7035 1 234 . 1 1 27 27 VAL HG12 H 1 1.227 0.005 . . . . . . 27 VAL HG1 . 7035 1 235 . 1 1 27 27 VAL HG13 H 1 1.227 0.005 . . . . . . 27 VAL HG1 . 7035 1 236 . 1 1 27 27 VAL HG21 H 1 0.536 0.005 . . . . . . 27 VAL HG2 . 7035 1 237 . 1 1 27 27 VAL HG22 H 1 0.536 0.005 . . . . . . 27 VAL HG2 . 7035 1 238 . 1 1 27 27 VAL HG23 H 1 0.536 0.005 . . . . . . 27 VAL HG2 . 7035 1 239 . 1 1 27 27 VAL CA C 13 62.271 0.01 . . . . . . 27 VAL CA . 7035 1 240 . 1 1 27 27 VAL CB C 13 30.132 0.01 . . . . . . 27 VAL CB . 7035 1 241 . 1 1 27 27 VAL N N 15 128.241 0.01 . . . . . . 27 VAL N . 7035 1 242 . 1 1 28 28 MET H H 1 9.284 0.005 . . . . . . 28 MET HN . 7035 1 243 . 1 1 28 28 MET HA H 1 4.544 0.005 . . . . . . 28 MET HA . 7035 1 244 . 1 1 28 28 MET HB2 H 1 1.466 0.005 . . . . . . 28 MET HB1 . 7035 1 245 . 1 1 28 28 MET HB3 H 1 1.466 0.005 . . . . . . 28 MET HB2 . 7035 1 246 . 1 1 28 28 MET HG2 H 1 2.499 0.005 . . . . . . 28 MET HG1 . 7035 1 247 . 1 1 28 28 MET HG3 H 1 2.328 0.005 . . . . . . 28 MET HG2 . 7035 1 248 . 1 1 28 28 MET CA C 13 54.345 0.01 . . . . . . 28 MET CA . 7035 1 249 . 1 1 28 28 MET CB C 13 34.239 0.01 . . . . . . 28 MET CB . 7035 1 250 . 1 1 28 28 MET N N 15 124.164 0.01 . . . . . . 28 MET N . 7035 1 251 . 1 1 29 29 GLU H H 1 7.699 0.005 . . . . . . 29 GLU HN . 7035 1 252 . 1 1 29 29 GLU HA H 1 4.541 0.005 . . . . . . 29 GLU HA . 7035 1 253 . 1 1 29 29 GLU HB2 H 1 1.776 0.005 . . . . . . 29 GLU HB1 . 7035 1 254 . 1 1 29 29 GLU HB3 H 1 1.776 0.005 . . . . . . 29 GLU HB2 . 7035 1 255 . 1 1 29 29 GLU HG2 H 1 2.012 0.005 . . . . . . 29 GLU HG1 . 7035 1 256 . 1 1 29 29 GLU HG3 H 1 2.1 0.005 . . . . . . 29 GLU HG2 . 7035 1 257 . 1 1 29 29 GLU CA C 13 53.408 0.01 . . . . . . 29 GLU CA . 7035 1 258 . 1 1 29 29 GLU CB C 13 31.861 0.01 . . . . . . 29 GLU CB . 7035 1 259 . 1 1 29 29 GLU N N 15 117.122 0.01 . . . . . . 29 GLU N . 7035 1 260 . 1 1 30 30 LYS H H 1 8.682 0.005 . . . . . . 30 LYS HN . 7035 1 261 . 1 1 30 30 LYS HA H 1 4.535 0.005 . . . . . . 30 LYS HA . 7035 1 262 . 1 1 30 30 LYS HB2 H 1 1.414 0.005 . . . . . . 30 LYS HB2 . 7035 1 263 . 1 1 30 30 LYS HG2 H 1 1.327 0.005 . . . . . . 30 LYS HG2 . 7035 1 264 . 1 1 30 30 LYS CA C 13 53.552 0.01 . . . . . . 30 LYS CA . 7035 1 265 . 1 1 30 30 LYS CB C 13 34.167 0.01 . . . . . . 30 LYS CB . 7035 1 266 . 1 1 30 30 LYS N N 15 121.591 0.01 . . . . . . 30 LYS N . 7035 1 267 . 1 1 31 31 CYS H H 1 8.325 0.005 . . . . . . 31 CYS HN . 7035 1 268 . 1 1 31 31 CYS HA H 1 5.058 0.005 . . . . . . 31 CYS HA . 7035 1 269 . 1 1 31 31 CYS HB2 H 1 3.593 0.005 . . . . . . 31 CYS HB1 . 7035 1 270 . 1 1 31 31 CYS HB3 H 1 3.349 0.005 . . . . . . 31 CYS HB2 . 7035 1 271 . 1 1 31 31 CYS CA C 13 55.93 0.01 . . . . . . 31 CYS CA . 7035 1 272 . 1 1 31 31 CYS CB C 13 27.898 0.01 . . . . . . 31 CYS CB . 7035 1 273 . 1 1 31 31 CYS N N 15 121.115 0.01 . . . . . . 31 CYS N . 7035 1 274 . 1 1 32 32 SER HA H 1 4.773 0.005 . . . . . . 32 SER HA . 7035 1 275 . 1 1 32 32 SER HB2 H 1 3.944 0.005 . . . . . . 32 SER HB2 . 7035 1 276 . 1 1 33 33 ASP H H 1 8.148 0.005 . . . . . . 33 ASP HN . 7035 1 277 . 1 1 33 33 ASP HA H 1 4.609 0.005 . . . . . . 33 ASP HA . 7035 1 278 . 1 1 33 33 ASP HB2 H 1 3.213 0.005 . . . . . . 33 ASP HB1 . 7035 1 279 . 1 1 33 33 ASP HB3 H 1 2.672 0.005 . . . . . . 33 ASP HB2 . 7035 1 280 . 1 1 33 33 ASP CA C 13 51.606 0.01 . . . . . . 33 ASP CA . 7035 1 281 . 1 1 33 33 ASP CB C 13 38.347 0.01 . . . . . . 33 ASP CB . 7035 1 282 . 1 1 33 33 ASP N N 15 121.47 0.01 . . . . . . 33 ASP N . 7035 1 283 . 1 1 34 34 GLY H H 1 8.074 0.005 . . . . . . 34 GLY HN . 7035 1 284 . 1 1 34 34 GLY HA2 H 1 3.627 0.005 . . . . . . 34 GLY HA1 . 7035 1 285 . 1 1 34 34 GLY HA3 H 1 4.277 0.005 . . . . . . 34 GLY HA2 . 7035 1 286 . 1 1 34 34 GLY CA C 13 42.815 0.01 . . . . . . 34 GLY CA . 7035 1 287 . 1 1 34 34 GLY N N 15 127.957 0.01 . . . . . . 34 GLY N . 7035 1 288 . 1 1 35 35 TRP H H 1 8.391 0.005 . . . . . . 35 TRP HN . 7035 1 289 . 1 1 35 35 TRP HA H 1 4.687 0.005 . . . . . . 35 TRP HA . 7035 1 290 . 1 1 35 35 TRP HB2 H 1 2.793 0.005 . . . . . . 35 TRP HB1 . 7035 1 291 . 1 1 35 35 TRP HB3 H 1 2.632 0.005 . . . . . . 35 TRP HB2 . 7035 1 292 . 1 1 35 35 TRP HD1 H 1 6.851 0.005 . . . . . . 35 TRP HD1 . 7035 1 293 . 1 1 35 35 TRP HE1 H 1 10.024 0.005 . . . . . . 35 TRP HE1 . 7035 1 294 . 1 1 35 35 TRP CA C 13 55.281 0.01 . . . . . . 35 TRP CA . 7035 1 295 . 1 1 35 35 TRP CB C 13 26.745 0.01 . . . . . . 35 TRP CB . 7035 1 296 . 1 1 35 35 TRP N N 15 123.635 0.01 . . . . . . 35 TRP N . 7035 1 297 . 1 1 36 36 TRP H H 1 8.752 0.005 . . . . . . 36 TRP HN . 7035 1 298 . 1 1 36 36 TRP HA H 1 4.626 0.005 . . . . . . 36 TRP HA . 7035 1 299 . 1 1 36 36 TRP HD1 H 1 7.364 0.005 . . . . . . 36 TRP HD1 . 7035 1 300 . 1 1 36 36 TRP HE1 H 1 10.467 0.005 . . . . . . 36 TRP HE1 . 7035 1 301 . 1 1 36 36 TRP CA C 13 50.597 0.01 . . . . . . 36 TRP CA . 7035 1 302 . 1 1 36 36 TRP CB C 13 31.861 0.01 . . . . . . 36 TRP CB . 7035 1 303 . 1 1 36 36 TRP N N 15 122.866 0.01 . . . . . . 36 TRP N . 7035 1 304 . 1 1 37 37 ARG H H 1 8.622 0.005 . . . . . . 37 ARG HN . 7035 1 305 . 1 1 37 37 ARG HA H 1 4.46 0.005 . . . . . . 37 ARG HA . 7035 1 306 . 1 1 37 37 ARG CA C 13 51.318 0.01 . . . . . . 37 ARG CA . 7035 1 307 . 1 1 37 37 ARG CB C 13 30.132 0.01 . . . . . . 37 ARG CB . 7035 1 308 . 1 1 37 37 ARG N N 15 121.34 0.01 . . . . . . 37 ARG N . 7035 1 309 . 1 1 38 38 GLY H H 1 8.988 0.005 . . . . . . 38 GLY HN . 7035 1 310 . 1 1 38 38 GLY HA2 H 1 4.82 0.005 . . . . . . 38 GLY HA1 . 7035 1 311 . 1 1 38 38 GLY HA3 H 1 4.167 0.005 . . . . . . 38 GLY HA2 . 7035 1 312 . 1 1 38 38 GLY CA C 13 44.328 0.01 . . . . . . 38 GLY CA . 7035 1 313 . 1 1 38 38 GLY N N 15 113.86 0.01 . . . . . . 38 GLY N . 7035 1 314 . 1 1 39 39 SER H H 1 8.972 0.005 . . . . . . 39 SER HN . 7035 1 315 . 1 1 39 39 SER HA H 1 5.84 0.005 . . . . . . 39 SER HA . 7035 1 316 . 1 1 39 39 SER HB2 H 1 3.706 0.005 . . . . . . 39 SER HB1 . 7035 1 317 . 1 1 39 39 SER HB3 H 1 3.613 0.005 . . . . . . 39 SER HB2 . 7035 1 318 . 1 1 39 39 SER CA C 13 53.624 0.01 . . . . . . 39 SER CA . 7035 1 319 . 1 1 39 39 SER CB C 13 64.938 0.01 . . . . . . 39 SER CB . 7035 1 320 . 1 1 39 39 SER N N 15 111.017 0.01 . . . . . . 39 SER N . 7035 1 321 . 1 1 40 40 TYR H H 1 8.888 0.005 . . . . . . 40 TYR HN . 7035 1 322 . 1 1 40 40 TYR HA H 1 4.82 0.005 . . . . . . 40 TYR HA . 7035 1 323 . 1 1 40 40 TYR HB2 H 1 3.16 0.005 . . . . . . 40 TYR HB1 . 7035 1 324 . 1 1 40 40 TYR HB3 H 1 2.773 0.005 . . . . . . 40 TYR HB2 . 7035 1 325 . 1 1 40 40 TYR CA C 13 55.786 0.01 . . . . . . 40 TYR CA . 7035 1 326 . 1 1 40 40 TYR CB C 13 39.428 0.01 . . . . . . 40 TYR CB . 7035 1 327 . 1 1 40 40 TYR N N 15 122.774 0.01 . . . . . . 40 TYR N . 7035 1 328 . 1 1 41 41 ASN H H 1 9.105 0.005 . . . . . . 41 ASN HN . 7035 1 329 . 1 1 41 41 ASN HA H 1 4.106 0.005 . . . . . . 41 ASN HA . 7035 1 330 . 1 1 41 41 ASN HB2 H 1 2.864 0.005 . . . . . . 41 ASN HB1 . 7035 1 331 . 1 1 41 41 ASN HB3 H 1 1.73 0.005 . . . . . . 41 ASN HB2 . 7035 1 332 . 1 1 41 41 ASN HD21 H 1 6.553 0.005 . . . . . . 41 ASN HD21 . 7035 1 333 . 1 1 41 41 ASN HD22 H 1 7.25 0.005 . . . . . . 41 ASN HD22 . 7035 1 334 . 1 1 41 41 ASN CA C 13 51.03 0.01 . . . . . . 41 ASN CA . 7035 1 335 . 1 1 41 41 ASN CB C 13 34.96 0.01 . . . . . . 41 ASN CB . 7035 1 336 . 1 1 41 41 ASN N N 15 128.431 0.01 . . . . . . 41 ASN N . 7035 1 337 . 1 1 42 42 GLY H H 1 8.585 0.005 . . . . . . 42 GLY HN . 7035 1 338 . 1 1 42 42 GLY HA2 H 1 4.122 0.005 . . . . . . 42 GLY HA1 . 7035 1 339 . 1 1 42 42 GLY HA3 H 1 3.528 0.005 . . . . . . 42 GLY HA2 . 7035 1 340 . 1 1 42 42 GLY CA C 13 43.103 0.01 . . . . . . 42 GLY CA . 7035 1 341 . 1 1 42 42 GLY N N 15 125.351 0.01 . . . . . . 42 GLY N . 7035 1 342 . 1 1 43 43 GLN H H 1 7.858 0.005 . . . . . . 43 GLN HN . 7035 1 343 . 1 1 43 43 GLN HA H 1 4.613 0.005 . . . . . . 43 GLN HA . 7035 1 344 . 1 1 43 43 GLN HB2 H 1 2.177 0.005 . . . . . . 43 GLN HB1 . 7035 1 345 . 1 1 43 43 GLN HB3 H 1 2.113 0.005 . . . . . . 43 GLN HB2 . 7035 1 346 . 1 1 43 43 GLN HG2 H 1 2.444 0.005 . . . . . . 43 GLN HG1 . 7035 1 347 . 1 1 43 43 GLN HG3 H 1 2.331 0.005 . . . . . . 43 GLN HG2 . 7035 1 348 . 1 1 43 43 GLN HE21 H 1 6.936 0.005 . . . . . . 43 GLN HE21 . 7035 1 349 . 1 1 43 43 GLN HE22 H 1 7.6 0.005 . . . . . . 43 GLN HE22 . 7035 1 350 . 1 1 43 43 GLN CA C 13 52.183 0.01 . . . . . . 43 GLN CA . 7035 1 351 . 1 1 43 43 GLN CB C 13 28.979 0.01 . . . . . . 43 GLN CB . 7035 1 352 . 1 1 43 43 GLN N N 15 120.581 0.01 . . . . . . 43 GLN N . 7035 1 353 . 1 1 44 44 ILE H H 1 8.487 0.005 . . . . . . 44 ILE HN . 7035 1 354 . 1 1 44 44 ILE HA H 1 5.305 0.005 . . . . . . 44 ILE HA . 7035 1 355 . 1 1 44 44 ILE HB H 1 1.548 0.005 . . . . . . 44 ILE HB . 7035 1 356 . 1 1 44 44 ILE HG12 H 1 0.784 0.005 . . . . . . 44 ILE HG12 . 7035 1 357 . 1 1 44 44 ILE HG13 H 1 0.7 0.005 . . . . . . 44 ILE HG13 . 7035 1 358 . 1 1 44 44 ILE HD11 H 1 0.696 0.005 . . . . . . 44 ILE HD1 . 7035 1 359 . 1 1 44 44 ILE HD12 H 1 0.696 0.005 . . . . . . 44 ILE HD1 . 7035 1 360 . 1 1 44 44 ILE HD13 H 1 0.696 0.005 . . . . . . 44 ILE HD1 . 7035 1 361 . 1 1 44 44 ILE CA C 13 57.371 0.01 . . . . . . 44 ILE CA . 7035 1 362 . 1 1 44 44 ILE CB C 13 39.284 0.01 . . . . . . 44 ILE CB . 7035 1 363 . 1 1 44 44 ILE N N 15 121.447 0.01 . . . . . . 44 ILE N . 7035 1 364 . 1 1 45 45 GLY H H 1 8.75 0.005 . . . . . . 45 GLY HN . 7035 1 365 . 1 1 45 45 GLY HA2 H 1 4.171 0.005 . . . . . . 45 GLY HA1 . 7035 1 366 . 1 1 45 45 GLY HA3 H 1 3.914 0.005 . . . . . . 45 GLY HA2 . 7035 1 367 . 1 1 45 45 GLY CA C 13 43.463 0.01 . . . . . . 45 GLY CA . 7035 1 368 . 1 1 45 45 GLY N N 15 111.328 0.01 . . . . . . 45 GLY N . 7035 1 369 . 1 1 46 46 TRP H H 1 9.104 0.005 . . . . . . 46 TRP HN . 7035 1 370 . 1 1 46 46 TRP HA H 1 5.543 0.005 . . . . . . 46 TRP HA . 7035 1 371 . 1 1 46 46 TRP HB2 H 1 2.845 0.005 . . . . . . 46 TRP HB1 . 7035 1 372 . 1 1 46 46 TRP HB3 H 1 2.845 0.005 . . . . . . 46 TRP HB2 . 7035 1 373 . 1 1 46 46 TRP HD1 H 1 7.498 0.005 . . . . . . 46 TRP HD1 . 7035 1 374 . 1 1 46 46 TRP HE1 H 1 10.178 0.005 . . . . . . 46 TRP HE1 . 7035 1 375 . 1 1 46 46 TRP CA C 13 54.993 0.01 . . . . . . 46 TRP CA . 7035 1 376 . 1 1 46 46 TRP CB C 13 29.843 0.01 . . . . . . 46 TRP CB . 7035 1 377 . 1 1 46 46 TRP N N 15 120.359 0.01 . . . . . . 46 TRP N . 7035 1 378 . 1 1 47 47 PHE H H 1 9.571 0.005 . . . . . . 47 PHE HN . 7035 1 379 . 1 1 47 47 PHE HA H 1 5.097 0.005 . . . . . . 47 PHE HA . 7035 1 380 . 1 1 47 47 PHE HB2 H 1 3.321 0.005 . . . . . . 47 PHE HB1 . 7035 1 381 . 1 1 47 47 PHE HB3 H 1 2.534 0.005 . . . . . . 47 PHE HB2 . 7035 1 382 . 1 1 47 47 PHE CA C 13 53.552 0.01 . . . . . . 47 PHE CA . 7035 1 383 . 1 1 47 47 PHE CB C 13 36.473 0.01 . . . . . . 47 PHE CB . 7035 1 384 . 1 1 47 47 PHE N N 15 117.732 0.01 . . . . . . 47 PHE N . 7035 1 385 . 1 1 50 50 ASN H H 1 8.105 0.005 . . . . . . 50 ASN HN . 7035 1 386 . 1 1 50 50 ASN HA H 1 4.457 0.005 . . . . . . 50 ASN HA . 7035 1 387 . 1 1 50 50 ASN HB2 H 1 2.741 0.005 . . . . . . 50 ASN HB1 . 7035 1 388 . 1 1 50 50 ASN HB3 H 1 2.57 0.005 . . . . . . 50 ASN HB2 . 7035 1 389 . 1 1 50 50 ASN HD21 H 1 6.557 0.005 . . . . . . 50 ASN HD21 . 7035 1 390 . 1 1 50 50 ASN HD22 H 1 7.382 0.005 . . . . . . 50 ASN HD22 . 7035 1 391 . 1 1 50 50 ASN CA C 13 53.183 0.01 . . . . . . 50 ASN CA . 7035 1 392 . 1 1 50 50 ASN CB C 13 34.383 0.01 . . . . . . 50 ASN CB . 7035 1 393 . 1 1 50 50 ASN N N 15 115.521 0.01 . . . . . . 50 ASN N . 7035 1 394 . 1 1 51 51 TYR H H 1 7.639 0.005 . . . . . . 51 TYR HN . 7035 1 395 . 1 1 51 51 TYR HA H 1 4.399 0.005 . . . . . . 51 TYR HA . 7035 1 396 . 1 1 51 51 TYR HB2 H 1 3.466 0.005 . . . . . . 51 TYR HB1 . 7035 1 397 . 1 1 51 51 TYR HB3 H 1 2.859 0.005 . . . . . . 51 TYR HB2 . 7035 1 398 . 1 1 51 51 TYR CA C 13 57.155 0.01 . . . . . . 51 TYR CA . 7035 1 399 . 1 1 51 51 TYR CB C 13 35.392 0.01 . . . . . . 51 TYR CB . 7035 1 400 . 1 1 51 51 TYR N N 15 119.035 0.01 . . . . . . 51 TYR N . 7035 1 401 . 1 1 52 52 VAL H H 1 7.484 0.005 . . . . . . 52 VAL HN . 7035 1 402 . 1 1 52 52 VAL HA H 1 5.351 0.005 . . . . . . 52 VAL HA . 7035 1 403 . 1 1 52 52 VAL HB H 1 1.931 0.005 . . . . . . 52 VAL HB . 7035 1 404 . 1 1 52 52 VAL HG11 H 1 0.856 0.005 . . . . . . 52 VAL HG1 . 7035 1 405 . 1 1 52 52 VAL HG12 H 1 0.856 0.005 . . . . . . 52 VAL HG1 . 7035 1 406 . 1 1 52 52 VAL HG13 H 1 0.856 0.005 . . . . . . 52 VAL HG1 . 7035 1 407 . 1 1 52 52 VAL HG21 H 1 0.559 0.005 . . . . . . 52 VAL HG2 . 7035 1 408 . 1 1 52 52 VAL HG22 H 1 0.559 0.005 . . . . . . 52 VAL HG2 . 7035 1 409 . 1 1 52 52 VAL HG23 H 1 0.559 0.005 . . . . . . 52 VAL HG2 . 7035 1 410 . 1 1 52 52 VAL CA C 13 56.074 0.01 . . . . . . 52 VAL CA . 7035 1 411 . 1 1 52 52 VAL CB C 13 33.23 0.01 . . . . . . 52 VAL CB . 7035 1 412 . 1 1 52 52 VAL N N 15 108.996 0.01 . . . . . . 52 VAL N . 7035 1 413 . 1 1 53 53 LEU H H 1 9.246 0.005 . . . . . . 53 LEU HN . 7035 1 414 . 1 1 53 53 LEU HA H 1 4.865 0.005 . . . . . . 53 LEU HA . 7035 1 415 . 1 1 53 53 LEU HB2 H 1 1.808 0.005 . . . . . . 53 LEU HB1 . 7035 1 416 . 1 1 53 53 LEU HB3 H 1 1.808 0.005 . . . . . . 53 LEU HB2 . 7035 1 417 . 1 1 53 53 LEU HG H 1 1.56 0.005 . . . . . . 53 LEU HG . 7035 1 418 . 1 1 53 53 LEU HD11 H 1 1.47 0.005 . . . . . . 53 LEU HD1 . 7035 1 419 . 1 1 53 53 LEU HD12 H 1 1.47 0.005 . . . . . . 53 LEU HD1 . 7035 1 420 . 1 1 53 53 LEU HD13 H 1 1.47 0.005 . . . . . . 53 LEU HD1 . 7035 1 421 . 1 1 53 53 LEU HD21 H 1 1.47 0.005 . . . . . . 53 LEU HD2 . 7035 1 422 . 1 1 53 53 LEU HD22 H 1 1.47 0.005 . . . . . . 53 LEU HD2 . 7035 1 423 . 1 1 53 53 LEU HD23 H 1 1.47 0.005 . . . . . . 53 LEU HD2 . 7035 1 424 . 1 1 53 53 LEU CA C 13 51.462 0.01 . . . . . . 53 LEU CA . 7035 1 425 . 1 1 53 53 LEU CB C 13 43.679 0.01 . . . . . . 53 LEU CB . 7035 1 426 . 1 1 53 53 LEU N N 15 121.07 0.01 . . . . . . 53 LEU N . 7035 1 427 . 1 1 54 54 GLU H H 1 9.252 0.005 . . . . . . 54 GLU HN . 7035 1 428 . 1 1 54 54 GLU HA H 1 4.444 0.005 . . . . . . 54 GLU HA . 7035 1 429 . 1 1 54 54 GLU HB2 H 1 2.134 0.005 . . . . . . 54 GLU HB1 . 7035 1 430 . 1 1 54 54 GLU HB3 H 1 2.134 0.005 . . . . . . 54 GLU HB2 . 7035 1 431 . 1 1 54 54 GLU HG2 H 1 2.471 0.005 . . . . . . 54 GLU HG1 . 7035 1 432 . 1 1 54 54 GLU HG3 H 1 2.242 0.005 . . . . . . 54 GLU HG2 . 7035 1 433 . 1 1 54 54 GLU CA C 13 55.425 0.01 . . . . . . 54 GLU CA . 7035 1 434 . 1 1 54 54 GLU CB C 13 28.979 0.01 . . . . . . 54 GLU CB . 7035 1 435 . 1 1 54 54 GLU N N 15 126.07 0.01 . . . . . . 54 GLU N . 7035 1 436 . 1 1 55 55 GLU H H 1 8.591 0.005 . . . . . . 55 GLU HN . 7035 1 437 . 1 1 55 55 GLU HA H 1 4.474 0.005 . . . . . . 55 GLU HA . 7035 1 438 . 1 1 55 55 GLU HB2 H 1 2.02 0.005 . . . . . . 55 GLU HB1 . 7035 1 439 . 1 1 55 55 GLU HB3 H 1 1.883 0.005 . . . . . . 55 GLU HB2 . 7035 1 440 . 1 1 55 55 GLU HG2 H 1 2.263 0.005 . . . . . . 55 GLU HG1 . 7035 1 441 . 1 1 55 55 GLU HG3 H 1 2.132 0.005 . . . . . . 55 GLU HG2 . 7035 1 442 . 1 1 55 55 GLU CA C 13 54.2 0.01 . . . . . . 55 GLU CA . 7035 1 443 . 1 1 55 55 GLU CB C 13 28.69 0.01 . . . . . . 55 GLU CB . 7035 1 444 . 1 1 55 55 GLU N N 15 124.328 0.01 . . . . . . 55 GLU N . 7035 1 445 . 1 1 56 56 VAL H H 1 8.039 0.005 . . . . . . 56 VAL HN . 7035 1 446 . 1 1 56 56 VAL HA H 1 4.216 0.005 . . . . . . 56 VAL HA . 7035 1 447 . 1 1 56 56 VAL HB H 1 2.105 0.005 . . . . . . 56 VAL HB . 7035 1 448 . 1 1 56 56 VAL HG11 H 1 0.893 0.005 . . . . . . 56 VAL HG1 . 7035 1 449 . 1 1 56 56 VAL HG12 H 1 0.893 0.005 . . . . . . 56 VAL HG1 . 7035 1 450 . 1 1 56 56 VAL HG13 H 1 0.893 0.005 . . . . . . 56 VAL HG1 . 7035 1 451 . 1 1 56 56 VAL HG21 H 1 0.893 0.005 . . . . . . 56 VAL HG2 . 7035 1 452 . 1 1 56 56 VAL HG22 H 1 0.893 0.005 . . . . . . 56 VAL HG2 . 7035 1 453 . 1 1 56 56 VAL HG23 H 1 0.893 0.005 . . . . . . 56 VAL HG2 . 7035 1 454 . 1 1 56 56 VAL CA C 13 59.677 0.01 . . . . . . 56 VAL CA . 7035 1 455 . 1 1 56 56 VAL CB C 13 31.501 0.01 . . . . . . 56 VAL CB . 7035 1 456 . 1 1 56 56 VAL N N 15 119.454 0.01 . . . . . . 56 VAL N . 7035 1 457 . 1 1 57 57 ASP H H 1 7.971 0.005 . . . . . . 57 ASP HN . 7035 1 458 . 1 1 57 57 ASP HA H 1 4.371 0.005 . . . . . . 57 ASP HA . 7035 1 459 . 1 1 57 57 ASP HB2 H 1 2.637 0.005 . . . . . . 57 ASP HB1 . 7035 1 460 . 1 1 57 57 ASP HB3 H 1 2.539 0.005 . . . . . . 57 ASP HB2 . 7035 1 461 . 1 1 57 57 ASP CA C 13 53.696 0.01 . . . . . . 57 ASP CA . 7035 1 462 . 1 1 57 57 ASP CB C 13 40.292 0.01 . . . . . . 57 ASP CB . 7035 1 463 . 1 1 57 57 ASP N N 15 128.234 0.01 . . . . . . 57 ASP N . 7035 1 stop_ save_