################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19864 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $Linear_analysis_of_chemical_shifts _Assigned_chem_shift_list.Chem_shift_1H_err 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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' . . . 19864 1 2 '2D 1H-13C HSQC' . . . 19864 1 3 '3D HNCACB' . . . 19864 1 4 '3D CBCA(CO)NH' . . . 19864 1 5 '3D HBHA(CO)NH' . . . 19864 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL HA H 1 3.893 0.025 . . . . . . . 1 V HA . 19864 1 2 . 1 1 1 1 VAL HB H 1 2.298 0.025 . . . . . . . 1 V HB . 19864 1 3 . 1 1 1 1 VAL HG11 H 1 1.091 0.025 . . . . . . . 1 V QG1 . 19864 1 4 . 1 1 1 1 VAL HG12 H 1 1.091 0.025 . . . . . . . 1 V QG1 . 19864 1 5 . 1 1 1 1 VAL HG13 H 1 1.091 0.025 . . . . . . . 1 V QG1 . 19864 1 6 . 1 1 1 1 VAL HG21 H 1 1.102 0.025 . . . . . . . 1 V QG2 . 19864 1 7 . 1 1 1 1 VAL HG22 H 1 1.102 0.025 . . . . . . . 1 V QG2 . 19864 1 8 . 1 1 1 1 VAL HG23 H 1 1.102 0.025 . . . . . . . 1 V QG2 . 19864 1 9 . 1 1 1 1 VAL CA C 13 61.293 0.4 . . . . . . . 1 V CA . 19864 1 10 . 1 1 1 1 VAL CB C 13 32.775 0.4 . . . . . . . 1 V CB . 19864 1 11 . 1 1 1 1 VAL CG1 C 13 19.622 0.4 . . . . . . . 1 V CG1 . 19864 1 12 . 1 1 1 1 VAL CG2 C 13 20.203 0.4 . . . . . . . 1 V CG2 . 19864 1 13 . 1 1 2 2 PHE H H 1 8.643 0.025 . . . . . . . 2 F H . 19864 1 14 . 1 1 2 2 PHE HA H 1 4.782 0.025 . . . . . . . 2 F HA . 19864 1 15 . 1 1 2 2 PHE HB2 H 1 3.143 0.025 . . . . . . . 2 F HB2 . 19864 1 16 . 1 1 2 2 PHE HB3 H 1 3.234 0.025 . . . . . . . 2 F HB3 . 19864 1 17 . 1 1 2 2 PHE CA C 13 58.197 0.4 . . . . . . . 2 F CA . 19864 1 18 . 1 1 2 2 PHE CB C 13 39.601 0.4 . . . . . . . 2 F CB . 19864 1 19 . 1 1 2 2 PHE N N 15 123.120 0.4 . . . . . . . 2 F N . 19864 1 20 . 1 1 3 3 ALA H H 1 8.236 0.025 . . . . . . . 3 A H . 19864 1 21 . 1 1 3 3 ALA HA H 1 4.333 0.025 . . . . . . . 3 A HA . 19864 1 22 . 1 1 3 3 ALA HB1 H 1 1.372 0.025 . . . . . . . 3 A HB . 19864 1 23 . 1 1 3 3 ALA HB2 H 1 1.372 0.025 . . . . . . . 3 A HB . 19864 1 24 . 1 1 3 3 ALA HB3 H 1 1.372 0.025 . . . . . . . 3 A HB . 19864 1 25 . 1 1 3 3 ALA CA C 13 52.306 0.4 . . . . . . . 3 A CA . 19864 1 26 . 1 1 3 3 ALA CB C 13 19.518 0.4 . . . . . . . 3 A CB . 19864 1 27 . 1 1 3 3 ALA N N 15 124.892 0.4 . . . . . . . 3 A N . 19864 1 28 . 1 1 4 4 GLU H H 1 8.018 0.025 . . . . . . . 4 E H . 19864 1 29 . 1 1 4 4 GLU HA H 1 4.290 0.025 . . . . . . . 4 E HA . 19864 1 30 . 1 1 4 4 GLU HB2 H 1 2.016 0.025 . . . . . . . 4 E HB2 . 19864 1 31 . 1 1 4 4 GLU HB3 H 1 1.959 0.025 . . . . . . . 4 E HB3 . 19864 1 32 . 1 1 4 4 GLU HG2 H 1 2.330 0.025 . . . . . . . 4 E HG2 . 19864 1 33 . 1 1 4 4 GLU HG3 H 1 2.359 0.025 . . . . . . . 4 E HG3 . 19864 1 34 . 1 1 4 4 GLU CA C 13 56.295 0.4 . . . . . . . 4 E CA . 19864 1 35 . 1 1 4 4 GLU CB C 13 29.374 0.4 . . . . . . . 4 E CB . 19864 1 36 . 1 1 4 4 GLU CG C 13 33.477 0.4 . . . . . . . 4 E CG . 19864 1 37 . 1 1 4 4 GLU N N 15 117.443 0.4 . . . . . . . 4 E N . 19864 1 38 . 1 1 5 5 PHE H H 1 8.164 0.025 . . . . . . . 5 F H . 19864 1 39 . 1 1 5 5 PHE HA H 1 4.748 0.025 . . . . . . . 5 F HA . 19864 1 40 . 1 1 5 5 PHE HB2 H 1 3.110 0.025 . . . . . . . 5 F HB2 . 19864 1 41 . 1 1 5 5 PHE HB3 H 1 3.288 0.025 . . . . . . . 5 F HB3 . 19864 1 42 . 1 1 5 5 PHE CA C 13 57.413 0.4 . . . . . . . 5 F CA . 19864 1 43 . 1 1 5 5 PHE CB C 13 39.564 0.4 . . . . . . . 5 F CB . 19864 1 44 . 1 1 5 5 PHE N N 15 118.933 0.4 . . . . . . . 5 F N . 19864 1 45 . 1 1 6 6 LEU H H 1 7.995 0.025 . . . . . . . 6 L H . 19864 1 46 . 1 1 6 6 LEU HA H 1 4.678 0.025 . . . . . . . 6 L HA . 19864 1 47 . 1 1 6 6 LEU HB2 H 1 1.645 0.025 . . . . . . . 6 L QB . 19864 1 48 . 1 1 6 6 LEU HB3 H 1 1.645 0.025 . . . . . . . 6 L QB . 19864 1 49 . 1 1 6 6 LEU HG H 1 1.712 0.025 . . . . . . . 6 L HG . 19864 1 50 . 1 1 6 6 LEU HD11 H 1 1.012 0.025 . . . . . . . 6 L QQD . 19864 1 51 . 1 1 6 6 LEU HD12 H 1 1.012 0.025 . . . . . . . 6 L QQD . 19864 1 52 . 1 1 6 6 LEU HD13 H 1 1.012 0.025 . . . . . . . 6 L QQD . 19864 1 53 . 1 1 6 6 LEU HD21 H 1 1.012 0.025 . . . . . . . 6 L QQD . 19864 1 54 . 1 1 6 6 LEU HD22 H 1 1.012 0.025 . . . . . . . 6 L QQD . 19864 1 55 . 1 1 6 6 LEU HD23 H 1 1.012 0.025 . . . . . . . 6 L QQD . 19864 1 56 . 1 1 6 6 LEU CA C 13 53.126 0.4 . . . . . . . 6 L CA . 19864 1 57 . 1 1 6 6 LEU CB C 13 42.259 0.4 . . . . . . . 6 L CB . 19864 1 58 . 1 1 6 6 LEU CG C 13 27.257 0.4 . . . . . . . 6 L CG . 19864 1 59 . 1 1 6 6 LEU CD2 C 13 24.912 0.4 . . . . . . . 6 L CD2 . 19864 1 60 . 1 1 6 6 LEU N N 15 123.482 0.4 . . . . . . . 6 L N . 19864 1 61 . 1 1 7 7 PRO HA H 1 4.426 0.025 . . . . . . . 7 P HA . 19864 1 62 . 1 1 7 7 PRO HB2 H 1 2.317 0.025 . . . . . . . 7 P HB2 . 19864 1 63 . 1 1 7 7 PRO HB3 H 1 1.886 0.025 . . . . . . . 7 P HB3 . 19864 1 64 . 1 1 7 7 PRO HG2 H 1 2.080 0.025 . . . . . . . 7 P QG . 19864 1 65 . 1 1 7 7 PRO HG3 H 1 2.080 0.025 . . . . . . . 7 P QG . 19864 1 66 . 1 1 7 7 PRO HD2 H 1 3.661 0.025 . . . . . . . 7 P HD2 . 19864 1 67 . 1 1 7 7 PRO HD3 H 1 3.791 0.025 . . . . . . . 7 P HD3 . 19864 1 68 . 1 1 7 7 PRO CA C 13 63.226 0.4 . . . . . . . 7 P CA . 19864 1 69 . 1 1 7 7 PRO CB C 13 31.768 0.4 . . . . . . . 7 P CB . 19864 1 70 . 1 1 7 7 PRO CG C 13 27.380 0.4 . . . . . . . 7 P CG . 19864 1 71 . 1 1 7 7 PRO CD C 13 50.504 0.4 . . . . . . . 7 P CD . 19864 1 72 . 1 1 8 8 LEU H H 1 8.071 0.025 . . . . . . . 8 L H . 19864 1 73 . 1 1 8 8 LEU HA H 1 4.298 0.025 . . . . . . . 8 L HA . 19864 1 74 . 1 1 8 8 LEU HB3 H 1 1.528 0.025 . . . . . . . 8 L HB3 . 19864 1 75 . 1 1 8 8 LEU HG H 1 1.654 0.025 . . . . . . . 8 L HG . 19864 1 76 . 1 1 8 8 LEU HD11 H 1 0.999 0.025 . . . . . . . 8 L QD1 . 19864 1 77 . 1 1 8 8 LEU HD12 H 1 0.999 0.025 . . . . . . . 8 L QD1 . 19864 1 78 . 1 1 8 8 LEU HD13 H 1 0.999 0.025 . . . . . . . 8 L QD1 . 19864 1 79 . 1 1 8 8 LEU HD21 H 1 0.933 0.025 . . . . . . . 8 L QD2 . 19864 1 80 . 1 1 8 8 LEU HD22 H 1 0.933 0.025 . . . . . . . 8 L QD2 . 19864 1 81 . 1 1 8 8 LEU HD23 H 1 0.933 0.025 . . . . . . . 8 L QD2 . 19864 1 82 . 1 1 8 8 LEU CA C 13 55.838 0.4 . . . . . . . 8 L CA . 19864 1 83 . 1 1 8 8 LEU CB C 13 42.285 0.4 . . . . . . . 8 L CB . 19864 1 84 . 1 1 8 8 LEU CG C 13 26.926 0.4 . . . . . . . 8 L CG . 19864 1 85 . 1 1 8 8 LEU CD1 C 13 23.475 0.4 . . . . . . . 8 L CD1 . 19864 1 86 . 1 1 8 8 LEU CD2 C 13 24.158 0.4 . . . . . . . 8 L CD2 . 19864 1 87 . 1 1 8 8 LEU N N 15 119.100 0.4 . . . . . . . 8 L N . 19864 1 88 . 1 1 9 9 PHE H H 1 8.034 0.025 . . . . . . . 9 F H . 19864 1 89 . 1 1 9 9 PHE HA H 1 4.718 0.025 . . . . . . . 9 F HA . 19864 1 90 . 1 1 9 9 PHE HB2 H 1 3.202 0.025 . . . . . . . 9 F QB . 19864 1 91 . 1 1 9 9 PHE HB3 H 1 3.202 0.025 . . . . . . . 9 F QB . 19864 1 92 . 1 1 9 9 PHE CA C 13 57.915 0.4 . . . . . . . 9 F CA . 19864 1 93 . 1 1 9 9 PHE CB C 13 39.487 0.4 . . . . . . . 9 F CB . 19864 1 94 . 1 1 9 9 PHE N N 15 117.650 0.4 . . . . . . . 9 F N . 19864 1 95 . 1 1 10 10 SER H H 1 8.086 0.025 . . . . . . . 10 S H . 19864 1 96 . 1 1 10 10 SER HA H 1 4.492 0.025 . . . . . . . 10 S HA . 19864 1 97 . 1 1 10 10 SER HB2 H 1 3.893 0.025 . . . . . . . 10 S QB . 19864 1 98 . 1 1 10 10 SER HB3 H 1 3.893 0.025 . . . . . . . 10 S QB . 19864 1 99 . 1 1 10 10 SER CA C 13 58.401 0.4 . . . . . . . 10 S CA . 19864 1 100 . 1 1 10 10 SER CB C 13 63.925 0.4 . . . . . . . 10 S CB . 19864 1 101 . 1 1 10 10 SER N N 15 114.580 0.4 . . . . . . . 10 S N . 19864 1 102 . 1 1 11 11 LYS H H 1 8.170 0.025 . . . . . . . 11 K H . 19864 1 103 . 1 1 11 11 LYS HA H 1 4.303 0.025 . . . . . . . 11 K HA . 19864 1 104 . 1 1 11 11 LYS HB2 H 1 1.722 0.025 . . . . . . . 11 K QB . 19864 1 105 . 1 1 11 11 LYS HB3 H 1 1.722 0.025 . . . . . . . 11 K QB . 19864 1 106 . 1 1 11 11 LYS HG2 H 1 1.313 0.025 . . . . . . . 11 K QG . 19864 1 107 . 1 1 11 11 LYS HG3 H 1 1.313 0.025 . . . . . . . 11 K QG . 19864 1 108 . 1 1 11 11 LYS HD2 H 1 1.700 0.025 . . . . . . . 11 K QD . 19864 1 109 . 1 1 11 11 LYS HD3 H 1 1.700 0.025 . . . . . . . 11 K QD . 19864 1 110 . 1 1 11 11 LYS HE2 H 1 3.021 0.025 . . . . . . . 11 K QE . 19864 1 111 . 1 1 11 11 LYS HE3 H 1 3.021 0.025 . . . . . . . 11 K QE . 19864 1 112 . 1 1 11 11 LYS CA C 13 56.988 0.4 . . . . . . . 11 K CA . 19864 1 113 . 1 1 11 11 LYS CB C 13 32.723 0.4 . . . . . . . 11 K CB . 19864 1 114 . 1 1 11 11 LYS CG C 13 24.800 0.4 . . . . . . . 11 K CG . 19864 1 115 . 1 1 11 11 LYS CD C 13 29.162 0.4 . . . . . . . 11 K CD . 19864 1 116 . 1 1 11 11 LYS CE C 13 42.236 0.4 . . . . . . . 11 K CE . 19864 1 117 . 1 1 11 11 LYS N N 15 120.879 0.4 . . . . . . . 11 K N . 19864 1 118 . 1 1 12 12 PHE H H 1 8.098 0.025 . . . . . . . 12 F H . 19864 1 119 . 1 1 12 12 PHE HA H 1 4.738 0.025 . . . . . . . 12 F HA . 19864 1 120 . 1 1 12 12 PHE HB2 H 1 3.310 0.025 . . . . . . . 12 F HB2 . 19864 1 121 . 1 1 12 12 PHE HB3 H 1 3.064 0.025 . . . . . . . 12 F HB3 . 19864 1 122 . 1 1 12 12 PHE CA C 13 58.083 0.4 . . . . . . . 12 F CA . 19864 1 123 . 1 1 12 12 PHE CB C 13 39.650 0.4 . . . . . . . 12 F CB . 19864 1 124 . 1 1 12 12 PHE N N 15 117.580 0.4 . . . . . . . 12 F N . 19864 1 125 . 1 1 13 13 GLY H H 1 8.203 0.025 . . . . . . . 13 G H . 19864 1 126 . 1 1 13 13 GLY HA2 H 1 4.073 0.025 . . . . . . . 13 G HA2 . 19864 1 127 . 1 1 13 13 GLY HA3 H 1 4.006 0.025 . . . . . . . 13 G HA3 . 19864 1 128 . 1 1 13 13 GLY CA C 13 45.556 0.4 . . . . . . . 13 G CA . 19864 1 129 . 1 1 13 13 GLY N N 15 107.972 0.4 . . . . . . . 13 G N . 19864 1 130 . 1 1 14 14 SER H H 1 8.178 0.025 . . . . . . . 14 S H . 19864 1 131 . 1 1 14 14 SER HA H 1 4.538 0.025 . . . . . . . 14 S HA . 19864 1 132 . 1 1 14 14 SER HB2 H 1 3.972 0.025 . . . . . . . 14 S QB . 19864 1 133 . 1 1 14 14 SER HB3 H 1 3.972 0.025 . . . . . . . 14 S QB . 19864 1 134 . 1 1 14 14 SER CA C 13 58.589 0.4 . . . . . . . 14 S CA . 19864 1 135 . 1 1 14 14 SER CB C 13 63.939 0.4 . . . . . . . 14 S CB . 19864 1 136 . 1 1 14 14 SER N N 15 113.674 0.4 . . . . . . . 14 S N . 19864 1 137 . 1 1 15 15 ARG H H 1 8.351 0.025 . . . . . . . 15 R H . 19864 1 138 . 1 1 15 15 ARG HA H 1 4.444 0.025 . . . . . . . 15 R HA . 19864 1 139 . 1 1 15 15 ARG HB2 H 1 1.871 0.025 . . . . . . . 15 R HB2 . 19864 1 140 . 1 1 15 15 ARG HB3 H 1 1.979 0.025 . . . . . . . 15 R HB3 . 19864 1 141 . 1 1 15 15 ARG HG2 H 1 1.736 0.025 . . . . . . . 15 R QG . 19864 1 142 . 1 1 15 15 ARG HG3 H 1 1.736 0.025 . . . . . . . 15 R QG . 19864 1 143 . 1 1 15 15 ARG HD2 H 1 3.285 0.025 . . . . . . . 15 R QD . 19864 1 144 . 1 1 15 15 ARG HD3 H 1 3.285 0.025 . . . . . . . 15 R QD . 19864 1 145 . 1 1 15 15 ARG CA C 13 56.586 0.4 . . . . . . . 15 R CA . 19864 1 146 . 1 1 15 15 ARG CB C 13 30.594 0.4 . . . . . . . 15 R CB . 19864 1 147 . 1 1 15 15 ARG CG C 13 27.354 0.4 . . . . . . . 15 R CG . 19864 1 148 . 1 1 15 15 ARG CD C 13 43.500 0.4 . . . . . . . 15 R CD . 19864 1 149 . 1 1 15 15 ARG N N 15 120.390 0.4 . . . . . . . 15 R N . 19864 1 150 . 1 1 16 16 MET H H 1 8.167 0.025 . . . . . . . 16 M H . 19864 1 151 . 1 1 16 16 MET HA H 1 4.482 0.025 . . . . . . . 16 M HA . 19864 1 152 . 1 1 16 16 MET HB2 H 1 2.059 0.025 . . . . . . . 16 M QB . 19864 1 153 . 1 1 16 16 MET HB3 H 1 2.059 0.025 . . . . . . . 16 M QB . 19864 1 154 . 1 1 16 16 MET HG2 H 1 2.625 0.025 . . . . . . . 16 M HG2 . 19864 1 155 . 1 1 16 16 MET HG3 H 1 2.567 0.025 . . . . . . . 16 M HG3 . 19864 1 156 . 1 1 16 16 MET HE1 H 1 2.167 0.025 . . . . . . . 16 M HE . 19864 1 157 . 1 1 16 16 MET HE2 H 1 2.167 0.025 . . . . . . . 16 M HE . 19864 1 158 . 1 1 16 16 MET HE3 H 1 2.167 0.025 . . . . . . . 16 M HE . 19864 1 159 . 1 1 16 16 MET CA C 13 55.737 0.4 . . . . . . . 16 M CA . 19864 1 160 . 1 1 16 16 MET CB C 13 33.071 0.4 . . . . . . . 16 M CB . 19864 1 161 . 1 1 16 16 MET CG C 13 31.940 0.4 . . . . . . . 16 M CG . 19864 1 162 . 1 1 16 16 MET CE C 13 17.005 0.4 . . . . . . . 16 M CE . 19864 1 163 . 1 1 16 16 MET N N 15 118.150 0.4 . . . . . . . 16 M N . 19864 1 164 . 1 1 17 17 HIS H H 1 8.481 0.025 . . . . . . . 17 H H . 19864 1 165 . 1 1 17 17 HIS HA H 1 4.833 0.025 . . . . . . . 17 H HA . 19864 1 166 . 1 1 17 17 HIS HB2 H 1 3.351 0.025 . . . . . . . 17 H HB2 . 19864 1 167 . 1 1 17 17 HIS HB3 H 1 3.240 0.025 . . . . . . . 17 H HB3 . 19864 1 168 . 1 1 17 17 HIS CA C 13 55.029 0.4 . . . . . . . 17 H CA . 19864 1 169 . 1 1 17 17 HIS CB C 13 28.887 0.4 . . . . . . . 17 H CB . 19864 1 170 . 1 1 17 17 HIS N N 15 117.838 0.4 . . . . . . . 17 H N . 19864 1 171 . 1 1 18 18 ILE H H 1 8.146 0.025 . . . . . . . 18 I H . 19864 1 172 . 1 1 18 18 ILE HA H 1 4.252 0.025 . . . . . . . 18 I HA . 19864 1 173 . 1 1 18 18 ILE HB H 1 1.927 0.025 . . . . . . . 18 I HB . 19864 1 174 . 1 1 18 18 ILE HG12 H 1 1.533 0.025 . . . . . . . 18 I HG12 . 19864 1 175 . 1 1 18 18 ILE HG13 H 1 1.247 0.025 . . . . . . . 18 I HG13 . 19864 1 176 . 1 1 18 18 ILE HG21 H 1 0.982 0.025 . . . . . . . 18 I QG2 . 19864 1 177 . 1 1 18 18 ILE HG22 H 1 0.982 0.025 . . . . . . . 18 I QG2 . 19864 1 178 . 1 1 18 18 ILE HG23 H 1 0.982 0.025 . . . . . . . 18 I QG2 . 19864 1 179 . 1 1 18 18 ILE HD11 H 1 0.945 0.025 . . . . . . . 18 I QD1 . 19864 1 180 . 1 1 18 18 ILE HD12 H 1 0.945 0.025 . . . . . . . 18 I QD1 . 19864 1 181 . 1 1 18 18 ILE HD13 H 1 0.945 0.025 . . . . . . . 18 I QD1 . 19864 1 182 . 1 1 18 18 ILE CA C 13 61.168 0.4 . . . . . . . 18 I CA . 19864 1 183 . 1 1 18 18 ILE CB C 13 38.835 0.4 . . . . . . . 18 I CB . 19864 1 184 . 1 1 18 18 ILE CG1 C 13 27.380 0.4 . . . . . . . 18 I CG1 . 19864 1 185 . 1 1 18 18 ILE CG2 C 13 17.629 0.4 . . . . . . . 18 I CG2 . 19864 1 186 . 1 1 18 18 ILE CD1 C 13 12.725 0.4 . . . . . . . 18 I CD1 . 19864 1 187 . 1 1 18 18 ILE N N 15 120.557 0.4 . . . . . . . 18 I N . 19864 1 188 . 1 1 19 19 LEU H H 1 8.320 0.025 . . . . . . . 19 L H . 19864 1 189 . 1 1 19 19 LEU HA H 1 4.495 0.025 . . . . . . . 19 L HA . 19864 1 190 . 1 1 19 19 LEU HB2 H 1 1.652 0.025 . . . . . . . 19 L HB2 . 19864 1 191 . 1 1 19 19 LEU HB3 H 1 1.716 0.025 . . . . . . . 19 L HB3 . 19864 1 192 . 1 1 19 19 LEU HG H 1 1.723 0.025 . . . . . . . 19 L HG . 19864 1 193 . 1 1 19 19 LEU HD11 H 1 0.956 0.025 . . . . . . . 19 L QD1 . 19864 1 194 . 1 1 19 19 LEU HD12 H 1 0.956 0.025 . . . . . . . 19 L QD1 . 19864 1 195 . 1 1 19 19 LEU HD13 H 1 0.956 0.025 . . . . . . . 19 L QD1 . 19864 1 196 . 1 1 19 19 LEU HD21 H 1 1.013 0.025 . . . . . . . 19 L QD2 . 19864 1 197 . 1 1 19 19 LEU HD22 H 1 1.013 0.025 . . . . . . . 19 L QD2 . 19864 1 198 . 1 1 19 19 LEU HD23 H 1 1.013 0.025 . . . . . . . 19 L QD2 . 19864 1 199 . 1 1 19 19 LEU CA C 13 55.379 0.4 . . . . . . . 19 L CA . 19864 1 200 . 1 1 19 19 LEU CB C 13 42.470 0.4 . . . . . . . 19 L CB . 19864 1 201 . 1 1 19 19 LEU CG C 13 26.891 0.4 . . . . . . . 19 L CG . 19864 1 202 . 1 1 19 19 LEU CD1 C 13 23.724 0.4 . . . . . . . 19 L CD1 . 19864 1 203 . 1 1 19 19 LEU CD2 C 13 24.514 0.4 . . . . . . . 19 L CD2 . 19864 1 204 . 1 1 19 19 LEU N N 15 125.212 0.4 . . . . . . . 19 L N . 19864 1 205 . 1 1 20 20 LYS H H 1 7.915 0.025 . . . . . . . 20 K H . 19864 1 206 . 1 1 20 20 LYS HA H 1 4.299 0.025 . . . . . . . 20 K HA . 19864 1 207 . 1 1 20 20 LYS HB2 H 1 1.823 0.025 . . . . . . . 20 K HB2 . 19864 1 208 . 1 1 20 20 LYS HB3 H 1 1.924 0.025 . . . . . . . 20 K HB3 . 19864 1 209 . 1 1 20 20 LYS HG2 H 1 1.493 0.025 . . . . . . . 20 K QG . 19864 1 210 . 1 1 20 20 LYS HG3 H 1 1.493 0.025 . . . . . . . 20 K QG . 19864 1 211 . 1 1 20 20 LYS HD2 H 1 1.777 0.025 . . . . . . . 20 K QD . 19864 1 212 . 1 1 20 20 LYS HD3 H 1 1.777 0.025 . . . . . . . 20 K QD . 19864 1 213 . 1 1 20 20 LYS HE2 H 1 3.090 0.025 . . . . . . . 20 K QE . 19864 1 214 . 1 1 20 20 LYS HE3 H 1 3.090 0.025 . . . . . . . 20 K QE . 19864 1 215 . 1 1 20 20 LYS CA C 13 57.435 0.4 . . . . . . . 20 K CA . 19864 1 216 . 1 1 20 20 LYS CB C 13 33.703 0.4 . . . . . . . 20 K CB . 19864 1 217 . 1 1 20 20 LYS CG C 13 24.616 0.4 . . . . . . . 20 K CG . 19864 1 218 . 1 1 20 20 LYS CD C 13 29.249 0.4 . . . . . . . 20 K CD . 19864 1 219 . 1 1 20 20 LYS CE C 13 42.190 0.4 . . . . . . . 20 K CE . 19864 1 220 . 1 1 20 20 LYS N N 15 124.287 0.4 . . . . . . . 20 K N . 19864 1 stop_ save_