################################### # 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 16477 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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-1H TOCSY' . . . 16477 1 2 '2D 1H-1H COSY' . . . 16477 1 3 '2D 1H-1H NOESY' . . . 16477 1 4 '2D 1H-1H TOCSY' . . . 16477 1 5 '2D 1H-1H COSY' . . . 16477 1 6 '2D 1H-1H NOESY' . . . 16477 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 THR HB H 1 4.185 0.000 . 1 . . . . 1 Thr HB . 16477 1 2 . 1 1 1 1 THR HG21 H 1 1.316 0.000 . 1 . . . . 1 Thr HG21 . 16477 1 3 . 1 1 1 1 THR HG22 H 1 1.316 0.000 . 1 . . . . 1 Thr HG22 . 16477 1 4 . 1 1 1 1 THR HG23 H 1 1.316 0.000 . 1 . . . . 1 Thr HG23 . 16477 1 5 . 1 1 2 2 GLY H H 1 8.221 0.000 . 1 . . . . 2 Gly H . 16477 1 6 . 1 1 2 2 GLY HA2 H 1 3.885 0.000 . 2 . . . . 2 Gly HA2 . 16477 1 7 . 1 1 2 2 GLY HA3 H 1 3.980 0.000 . 2 . . . . 2 Gly HA3 . 16477 1 8 . 1 1 3 3 HIS H H 1 7.889 0.000 . 1 . . . . 3 His H . 16477 1 9 . 1 1 3 3 HIS HA H 1 4.671 0.000 . 1 . . . . 3 His HA . 16477 1 10 . 1 1 3 3 HIS HB2 H 1 3.092 0.000 . 2 . . . . 3 His HB2 . 16477 1 11 . 1 1 3 3 HIS HB3 H 1 3.274 0.000 . 2 . . . . 3 His HB3 . 16477 1 12 . 1 1 4 4 ARG H H 1 7.955 0.000 . 1 . . . . 4 Arg H . 16477 1 13 . 1 1 4 4 ARG HA H 1 4.295 0.000 . 1 . . . . 4 Arg HA . 16477 1 14 . 1 1 4 4 ARG HB2 H 1 1.763 0.000 . 2 . . . . 4 Arg HB2 . 16477 1 15 . 1 1 4 4 ARG HB3 H 1 1.854 0.000 . 2 . . . . 4 Arg HB3 . 16477 1 16 . 1 1 4 4 ARG HD2 H 1 3.113 0.000 . 1 . . . . 4 Arg HD2 . 16477 1 17 . 1 1 4 4 ARG HD3 H 1 3.113 0.000 . 1 . . . . 4 Arg HD3 . 16477 1 18 . 1 1 4 4 ARG HE H 1 6.904 0.000 . 1 . . . . 4 Arg HE . 16477 1 19 . 1 1 4 4 ARG HG2 H 1 1.642 0.000 . 1 . . . . 4 Arg HG2 . 16477 1 20 . 1 1 4 4 ARG HG3 H 1 1.642 0.000 . 1 . . . . 4 Arg HG3 . 16477 1 21 . 1 1 5 5 MET H H 1 7.900 0.000 . 1 . . . . 5 Met H . 16477 1 22 . 1 1 5 5 MET HA H 1 4.432 0.000 . 1 . . . . 5 Met HA . 16477 1 23 . 1 1 5 5 MET HB2 H 1 2.479 0.000 . 1 . . . . 5 Met HB2 . 16477 1 24 . 1 1 5 5 MET HB3 H 1 2.479 0.000 . 1 . . . . 5 Met HB3 . 16477 1 25 . 1 1 5 5 MET HG2 H 1 1.630 0.000 . 1 . . . . 5 Met HG2 . 16477 1 26 . 1 1 5 5 MET HG3 H 1 1.630 0.000 . 1 . . . . 5 Met HG3 . 16477 1 27 . 1 1 6 6 ALA H H 1 7.534 0.000 . 1 . . . . 6 Ala H . 16477 1 28 . 1 1 6 6 ALA HA H 1 4.131 0.000 . 1 . . . . 6 Ala HA . 16477 1 29 . 1 1 6 6 ALA HB1 H 1 1.377 0.000 . 1 . . . . 6 Ala HB1 . 16477 1 30 . 1 1 6 6 ALA HB2 H 1 1.377 0.000 . 1 . . . . 6 Ala HB2 . 16477 1 31 . 1 1 6 6 ALA HB3 H 1 1.377 0.000 . 1 . . . . 6 Ala HB3 . 16477 1 32 . 1 1 7 7 TRP H H 1 7.157 0.000 . 1 . . . . 7 Trp H . 16477 1 33 . 1 1 7 7 TRP HA H 1 4.526 0.000 . 1 . . . . 7 Trp HA . 16477 1 34 . 1 1 7 7 TRP HB2 H 1 3.310 0.000 . 1 . . . . 7 Trp HB2 . 16477 1 35 . 1 1 7 7 TRP HB3 H 1 3.310 0.000 . 1 . . . . 7 Trp HB3 . 16477 1 36 . 1 1 7 7 TRP HD1 H 1 7.111 0.000 . 1 . . . . 7 Trp HD1 . 16477 1 37 . 1 1 7 7 TRP HE1 H 1 9.147 0.000 . 1 . . . . 7 Trp HE1 . 16477 1 38 . 1 1 7 7 TRP HE3 H 1 7.558 0.000 . 1 . . . . 7 Trp HE3 . 16477 1 39 . 1 1 7 7 TRP HH2 H 1 7.205 0.000 . 1 . . . . 7 Trp HH2 . 16477 1 40 . 1 1 7 7 TRP HZ2 H 1 7.411 0.000 . 1 . . . . 7 Trp HZ2 . 16477 1 41 . 1 1 7 7 TRP HZ3 H 1 7.131 0.000 . 1 . . . . 7 Trp HZ3 . 16477 1 42 . 1 1 8 8 ASP H H 1 7.651 0.000 . 1 . . . . 8 Asp H . 16477 1 43 . 1 1 8 8 ASP HA H 1 4.514 0.000 . 1 . . . . 8 Asp HA . 16477 1 44 . 1 1 8 8 ASP HB2 H 1 2.709 0.000 . 2 . . . . 8 Asp HB2 . 16477 1 45 . 1 1 8 8 ASP HB3 H 1 2.791 0.000 . 2 . . . . 8 Asp HB3 . 16477 1 46 . 1 1 9 9 MET H H 1 7.768 0.000 . 1 . . . . 9 Met H . 16477 1 47 . 1 1 9 9 MET HA H 1 4.350 0.000 . 1 . . . . 9 Met HA . 16477 1 48 . 1 1 9 9 MET HB2 H 1 2.381 0.000 . 1 . . . . 9 Met HB2 . 16477 1 49 . 1 1 9 9 MET HB3 H 1 2.381 0.000 . 1 . . . . 9 Met HB3 . 16477 1 50 . 1 1 9 9 MET HG2 H 1 1.943 0.000 . 1 . . . . 9 Met HG2 . 16477 1 51 . 1 1 9 9 MET HG3 H 1 1.943 0.000 . 1 . . . . 9 Met HG3 . 16477 1 52 . 1 1 10 10 MET H H 1 7.728 0.000 . 1 . . . . 10 Met H . 16477 1 53 . 1 1 10 10 MET HA H 1 4.268 0.000 . 1 . . . . 10 Met HA . 16477 1 54 . 1 1 10 10 MET HB2 H 1 2.571 0.000 . 1 . . . . 10 Met HB2 . 16477 1 55 . 1 1 10 10 MET HB3 H 1 2.571 0.000 . 1 . . . . 10 Met HB3 . 16477 1 56 . 1 1 10 10 MET HG2 H 1 2.107 0.000 . 1 . . . . 10 Met HG2 . 16477 1 57 . 1 1 10 10 MET HG3 H 1 2.107 0.000 . 1 . . . . 10 Met HG3 . 16477 1 58 . 1 1 11 11 MET H H 1 7.856 0.000 . 1 . . . . 11 Met H . 16477 1 59 . 1 1 11 11 MET HA H 1 4.295 0.000 . 1 . . . . 11 Met HA . 16477 1 60 . 1 1 11 11 MET HB2 H 1 2.080 0.000 . 1 . . . . 11 Met HB2 . 16477 1 61 . 1 1 11 11 MET HB3 H 1 2.080 0.000 . 1 . . . . 11 Met HB3 . 16477 1 62 . 1 1 11 11 MET HG2 H 1 2.490 0.000 . 2 . . . . 11 Met HG2 . 16477 1 63 . 1 1 11 11 MET HG3 H 1 2.600 0.000 . 2 . . . . 11 Met HG3 . 16477 1 64 . 1 1 12 12 ASN H H 1 7.757 0.000 . 1 . . . . 12 Asn H . 16477 1 65 . 1 1 12 12 ASN HA H 1 4.695 0.000 . 1 . . . . 12 Asn HA . 16477 1 66 . 1 1 12 12 ASN HB2 H 1 2.736 0.000 . 1 . . . . 12 Asn HB2 . 16477 1 67 . 1 1 12 12 ASN HB3 H 1 2.736 0.000 . 1 . . . . 12 Asn HB3 . 16477 1 68 . 1 1 12 12 ASN HD21 H 1 6.962 0.000 . 1 . . . . 12 Asn HD21 . 16477 1 69 . 1 1 12 12 ASN HD22 H 1 6.231 0.000 . 1 . . . . 12 Asn HD22 . 16477 1 70 . 1 1 13 13 TRP H H 1 7.729 0.000 . 1 . . . . 13 Trp H . 16477 1 71 . 1 1 13 13 TRP HA H 1 4.514 0.000 . 1 . . . . 13 Trp HA . 16477 1 72 . 1 1 13 13 TRP HB2 H 1 3.283 0.000 . 1 . . . . 13 Trp HB2 . 16477 1 73 . 1 1 13 13 TRP HB3 H 1 3.283 0.000 . 1 . . . . 13 Trp HB3 . 16477 1 74 . 1 1 13 13 TRP HD1 H 1 7.166 0.000 . 1 . . . . 13 Trp HD1 . 16477 1 75 . 1 1 13 13 TRP HE1 H 1 8.988 0.000 . 1 . . . . 13 Trp HE1 . 16477 1 76 . 1 1 13 13 TRP HE3 H 1 7.513 0.000 . 1 . . . . 13 Trp HE3 . 16477 1 77 . 1 1 13 13 TRP HH2 H 1 7.156 0.000 . 1 . . . . 13 Trp HH2 . 16477 1 78 . 1 1 13 13 TRP HZ2 H 1 7.371 0.000 . 1 . . . . 13 Trp HZ2 . 16477 1 79 . 1 1 13 13 TRP HZ3 H 1 7.079 0.000 . 1 . . . . 13 Trp HZ3 . 16477 1 80 . 1 1 14 14 SER H H 1 6.898 0.000 . 1 . . . . 14 Ser H . 16477 1 81 . 1 1 14 14 SER HA H 1 4.541 0.000 . 1 . . . . 14 Ser HA . 16477 1 82 . 1 1 14 14 SER HB2 H 1 3.748 0.000 . 2 . . . . 14 Ser HB2 . 16477 1 83 . 1 1 14 14 SER HB3 H 1 3.912 0.000 . 2 . . . . 14 Ser HB3 . 16477 1 84 . 1 1 15 15 PRO HA H 1 4.218 0.000 . 1 . . . . 15 Pro HA . 16477 1 85 . 1 1 15 15 PRO HB2 H 1 2.331 0.000 . 1 . . . . 15 Pro HB2 . 16477 1 86 . 1 1 15 15 PRO HB3 H 1 2.331 0.000 . 1 . . . . 15 Pro HB3 . 16477 1 87 . 1 1 15 15 PRO HD2 H 1 3.551 0.000 . 2 . . . . 15 Pro HD2 . 16477 1 88 . 1 1 15 15 PRO HD3 H 1 3.659 0.000 . 2 . . . . 15 Pro HD3 . 16477 1 89 . 1 1 15 15 PRO HG2 H 1 1.975 0.000 . 2 . . . . 15 Pro HG2 . 16477 1 90 . 1 1 15 15 PRO HG3 H 1 2.065 0.000 . 2 . . . . 15 Pro HG3 . 16477 1 91 . 1 1 16 16 THR H H 1 7.284 0.000 . 1 . . . . 16 Thr H . 16477 1 92 . 1 1 16 16 THR HA H 1 4.022 0.000 . 1 . . . . 16 Thr HA . 16477 1 93 . 1 1 16 16 THR HB H 1 4.212 0.000 . 1 . . . . 16 Thr HB . 16477 1 94 . 1 1 16 16 THR HG21 H 1 1.205 0.000 . 1 . . . . 16 Thr HG21 . 16477 1 95 . 1 1 16 16 THR HG22 H 1 1.205 0.000 . 1 . . . . 16 Thr HG22 . 16477 1 96 . 1 1 16 16 THR HG23 H 1 1.205 0.000 . 1 . . . . 16 Thr HG23 . 16477 1 97 . 1 1 17 17 ALA H H 1 7.510 0.000 . 1 . . . . 17 Ala H . 16477 1 98 . 1 1 17 17 ALA HA H 1 4.008 0.000 . 1 . . . . 17 Ala HA . 16477 1 99 . 1 1 17 17 ALA HB1 H 1 1.370 0.000 . 1 . . . . 17 Ala HB1 . 16477 1 100 . 1 1 17 17 ALA HB2 H 1 1.370 0.000 . 1 . . . . 17 Ala HB2 . 16477 1 101 . 1 1 17 17 ALA HB3 H 1 1.370 0.000 . 1 . . . . 17 Ala HB3 . 16477 1 102 . 1 1 18 18 ALA H H 1 7.415 0.000 . 1 . . . . 18 Ala H . 16477 1 103 . 1 1 18 18 ALA HA H 1 4.027 0.000 . 1 . . . . 18 Ala HA . 16477 1 104 . 1 1 18 18 ALA HB1 H 1 1.478 0.000 . 1 . . . . 18 Ala HB1 . 16477 1 105 . 1 1 18 18 ALA HB2 H 1 1.478 0.000 . 1 . . . . 18 Ala HB2 . 16477 1 106 . 1 1 18 18 ALA HB3 H 1 1.478 0.000 . 1 . . . . 18 Ala HB3 . 16477 1 107 . 1 1 19 19 LEU H H 1 7.432 0.000 . 1 . . . . 19 Leu H . 16477 1 108 . 1 1 19 19 LEU HA H 1 4.159 0.000 . 1 . . . . 19 Leu HA . 16477 1 109 . 1 1 19 19 LEU HB2 H 1 1.889 0.000 . 1 . . . . 19 Leu HB2 . 16477 1 110 . 1 1 19 19 LEU HB3 H 1 1.889 0.000 . 1 . . . . 19 Leu HB3 . 16477 1 111 . 1 1 19 19 LEU HD11 H 1 0.911 0.000 . 2 . . . . 19 Leu HD11 . 16477 1 112 . 1 1 19 19 LEU HD12 H 1 0.911 0.000 . 2 . . . . 19 Leu HD12 . 16477 1 113 . 1 1 19 19 LEU HD13 H 1 0.911 0.000 . 2 . . . . 19 Leu HD13 . 16477 1 114 . 1 1 19 19 LEU HD21 H 1 0.851 0.000 . 2 . . . . 19 Leu HD21 . 16477 1 115 . 1 1 19 19 LEU HD22 H 1 0.851 0.000 . 2 . . . . 19 Leu HD22 . 16477 1 116 . 1 1 19 19 LEU HD23 H 1 0.851 0.000 . 2 . . . . 19 Leu HD23 . 16477 1 117 . 1 1 19 19 LEU HG H 1 1.588 0.000 . 1 . . . . 19 Leu HG . 16477 1 118 . 1 1 20 20 VAL H H 1 7.599 0.000 . 1 . . . . 20 Val H . 16477 1 119 . 1 1 20 20 VAL HA H 1 3.666 0.000 . 1 . . . . 20 Val HA . 16477 1 120 . 1 1 20 20 VAL HB H 1 2.217 0.000 . 1 . . . . 20 Val HB . 16477 1 121 . 1 1 20 20 VAL HG11 H 1 0.931 0.000 . 2 . . . . 20 Val HG11 . 16477 1 122 . 1 1 20 20 VAL HG12 H 1 0.931 0.000 . 2 . . . . 20 Val HG12 . 16477 1 123 . 1 1 20 20 VAL HG13 H 1 0.931 0.000 . 2 . . . . 20 Val HG13 . 16477 1 124 . 1 1 20 20 VAL HG21 H 1 0.986 0.000 . 2 . . . . 20 Val HG21 . 16477 1 125 . 1 1 20 20 VAL HG22 H 1 0.986 0.000 . 2 . . . . 20 Val HG22 . 16477 1 126 . 1 1 20 20 VAL HG23 H 1 0.986 0.000 . 2 . . . . 20 Val HG23 . 16477 1 127 . 1 1 21 21 VAL H H 1 8.112 0.000 . 1 . . . . 21 Val H . 16477 1 128 . 1 1 21 21 VAL HA H 1 3.557 0.000 . 1 . . . . 21 Val HA . 16477 1 129 . 1 1 21 21 VAL HB H 1 2.080 0.000 . 1 . . . . 21 Val HB . 16477 1 130 . 1 1 21 21 VAL HG11 H 1 0.951 0.000 . 2 . . . . 21 Val HG11 . 16477 1 131 . 1 1 21 21 VAL HG12 H 1 0.951 0.000 . 2 . . . . 21 Val HG12 . 16477 1 132 . 1 1 21 21 VAL HG13 H 1 0.951 0.000 . 2 . . . . 21 Val HG13 . 16477 1 133 . 1 1 21 21 VAL HG21 H 1 1.051 0.000 . 2 . . . . 21 Val HG21 . 16477 1 134 . 1 1 21 21 VAL HG22 H 1 1.051 0.000 . 2 . . . . 21 Val HG22 . 16477 1 135 . 1 1 21 21 VAL HG23 H 1 1.051 0.000 . 2 . . . . 21 Val HG23 . 16477 1 136 . 1 1 22 22 ALA H H 1 7.830 0.000 . 1 . . . . 22 Ala H . 16477 1 137 . 1 1 22 22 ALA HA H 1 4.013 0.000 . 1 . . . . 22 Ala HA . 16477 1 138 . 1 1 22 22 ALA HB1 H 1 1.520 0.000 . 1 . . . . 22 Ala HB1 . 16477 1 139 . 1 1 22 22 ALA HB2 H 1 1.520 0.000 . 1 . . . . 22 Ala HB2 . 16477 1 140 . 1 1 22 22 ALA HB3 H 1 1.520 0.000 . 1 . . . . 22 Ala HB3 . 16477 1 141 . 1 1 23 23 GLN H H 1 7.585 0.000 . 1 . . . . 23 Gln H . 16477 1 142 . 1 1 23 23 GLN HA H 1 4.131 0.000 . 1 . . . . 23 Gln HA . 16477 1 143 . 1 1 23 23 GLN HB2 H 1 2.326 0.000 . 1 . . . . 23 Gln HB2 . 16477 1 144 . 1 1 23 23 GLN HB3 H 1 2.326 0.000 . 1 . . . . 23 Gln HB3 . 16477 1 145 . 1 1 23 23 GLN HE21 H 1 7.022 0.000 . 1 . . . . 23 Gln HE21 . 16477 1 146 . 1 1 23 23 GLN HE22 H 1 6.056 0.000 . 1 . . . . 23 Gln HE22 . 16477 1 147 . 1 1 23 23 GLN HG2 H 1 2.408 0.000 . 2 . . . . 23 Gln HG2 . 16477 1 148 . 1 1 23 23 GLN HG3 H 1 2.600 0.000 . 2 . . . . 23 Gln HG3 . 16477 1 149 . 1 1 24 24 LEU H H 1 8.312 0.000 . 1 . . . . 24 Leu H . 16477 1 150 . 1 1 24 24 LEU HA H 1 4.159 0.000 . 1 . . . . 24 Leu HA . 16477 1 151 . 1 1 24 24 LEU HB2 H 1 1.533 0.000 . 2 . . . . 24 Leu HB2 . 16477 1 152 . 1 1 24 24 LEU HB3 H 1 1.946 0.000 . 2 . . . . 24 Leu HB3 . 16477 1 153 . 1 1 24 24 LEU HD11 H 1 0.839 0.000 . 1 . . . . 24 Leu HD11 . 16477 1 154 . 1 1 24 24 LEU HD12 H 1 0.839 0.000 . 1 . . . . 24 Leu HD12 . 16477 1 155 . 1 1 24 24 LEU HD13 H 1 0.839 0.000 . 1 . . . . 24 Leu HD13 . 16477 1 156 . 1 1 24 24 LEU HD21 H 1 0.839 0.000 . 1 . . . . 24 Leu HD21 . 16477 1 157 . 1 1 24 24 LEU HD22 H 1 0.839 0.000 . 1 . . . . 24 Leu HD22 . 16477 1 158 . 1 1 24 24 LEU HD23 H 1 0.839 0.000 . 1 . . . . 24 Leu HD23 . 16477 1 159 . 1 1 24 24 LEU HG H 1 1.856 0.000 . 1 . . . . 24 Leu HG . 16477 1 160 . 1 1 25 25 LEU H H 1 8.178 0.000 . 1 . . . . 25 Leu H . 16477 1 161 . 1 1 25 25 LEU HA H 1 4.213 0.000 . 1 . . . . 25 Leu HA . 16477 1 162 . 1 1 25 25 LEU HB2 H 1 1.779 0.000 . 1 . . . . 25 Leu HB2 . 16477 1 163 . 1 1 25 25 LEU HB3 H 1 1.779 0.000 . 1 . . . . 25 Leu HB3 . 16477 1 164 . 1 1 25 25 LEU HD11 H 1 0.839 0.000 . 1 . . . . 25 Leu HD11 . 16477 1 165 . 1 1 25 25 LEU HD12 H 1 0.839 0.000 . 1 . . . . 25 Leu HD12 . 16477 1 166 . 1 1 25 25 LEU HD13 H 1 0.839 0.000 . 1 . . . . 25 Leu HD13 . 16477 1 167 . 1 1 25 25 LEU HD21 H 1 0.839 0.000 . 1 . . . . 25 Leu HD21 . 16477 1 168 . 1 1 25 25 LEU HD22 H 1 0.839 0.000 . 1 . . . . 25 Leu HD22 . 16477 1 169 . 1 1 25 25 LEU HD23 H 1 0.839 0.000 . 1 . . . . 25 Leu HD23 . 16477 1 170 . 1 1 25 25 LEU HG H 1 1.560 0.000 . 1 . . . . 25 Leu HG . 16477 1 171 . 1 1 26 26 ARG H H 1 7.453 0.000 . 1 . . . . 26 Arg H . 16477 1 172 . 1 1 26 26 ARG HA H 1 4.159 0.000 . 1 . . . . 26 Arg HA . 16477 1 173 . 1 1 26 26 ARG HB2 H 1 1.946 0.000 . 1 . . . . 26 Arg HB2 . 16477 1 174 . 1 1 26 26 ARG HB3 H 1 1.946 0.000 . 1 . . . . 26 Arg HB3 . 16477 1 175 . 1 1 26 26 ARG HD2 H 1 3.201 0.000 . 1 . . . . 26 Arg HD2 . 16477 1 176 . 1 1 26 26 ARG HD3 H 1 3.201 0.000 . 1 . . . . 26 Arg HD3 . 16477 1 177 . 1 1 26 26 ARG HE H 1 6.884 0.000 . 1 . . . . 26 Arg HE . 16477 1 178 . 1 1 26 26 ARG HG2 H 1 1.672 0.000 . 2 . . . . 26 Arg HG2 . 16477 1 179 . 1 1 26 26 ARG HG3 H 1 1.756 0.000 . 2 . . . . 26 Arg HG3 . 16477 1 180 . 1 1 27 27 ILE H H 1 7.527 0.000 . 1 . . . . 27 Ile H . 16477 1 181 . 1 1 27 27 ILE HA H 1 4.350 0.000 . 1 . . . . 27 Ile HA . 16477 1 182 . 1 1 27 27 ILE HB H 1 1.916 0.000 . 1 . . . . 27 Ile HB . 16477 1 183 . 1 1 27 27 ILE HD11 H 1 0.885 0.000 . 1 . . . . 27 Ile HD11 . 16477 1 184 . 1 1 27 27 ILE HD12 H 1 0.885 0.000 . 1 . . . . 27 Ile HD12 . 16477 1 185 . 1 1 27 27 ILE HD13 H 1 0.885 0.000 . 1 . . . . 27 Ile HD13 . 16477 1 186 . 1 1 27 27 ILE HG12 H 1 1.175 0.000 . 1 . . . . 27 Ile HG12 . 16477 1 187 . 1 1 27 27 ILE HG13 H 1 1.175 0.000 . 1 . . . . 27 Ile HG13 . 16477 1 188 . 1 1 27 27 ILE HG21 H 1 0.977 0.000 . 1 . . . . 27 Ile HG21 . 16477 1 189 . 1 1 27 27 ILE HG22 H 1 0.977 0.000 . 1 . . . . 27 Ile HG22 . 16477 1 190 . 1 1 27 27 ILE HG23 H 1 0.977 0.000 . 1 . . . . 27 Ile HG23 . 16477 1 191 . 1 1 28 28 PRO HA H 1 4.388 0.000 . 1 . . . . 28 Pro HA . 16477 1 192 . 1 1 28 28 PRO HB2 H 1 2.194 0.000 . 1 . . . . 28 Pro HB2 . 16477 1 193 . 1 1 28 28 PRO HB3 H 1 2.194 0.000 . 1 . . . . 28 Pro HB3 . 16477 1 194 . 1 1 28 28 PRO HD2 H 1 3.640 0.000 . 2 . . . . 28 Pro HD2 . 16477 1 195 . 1 1 28 28 PRO HD3 H 1 3.949 0.000 . 2 . . . . 28 Pro HD3 . 16477 1 196 . 1 1 28 28 PRO HG2 H 1 1.975 0.000 . 2 . . . . 28 Pro HG2 . 16477 1 197 . 1 1 28 28 PRO HG3 H 1 2.056 0.000 . 2 . . . . 28 Pro HG3 . 16477 1 198 . 1 1 29 29 GLN H H 1 7.486 0.000 . 1 . . . . 29 Gln H . 16477 1 199 . 1 1 29 29 GLN HA H 1 4.405 0.000 . 1 . . . . 29 Gln HA . 16477 1 200 . 1 1 29 29 GLN HB2 H 1 1.956 0.000 . 2 . . . . 29 Gln HB2 . 16477 1 201 . 1 1 29 29 GLN HB3 H 1 2.217 0.000 . 2 . . . . 29 Gln HB3 . 16477 1 202 . 1 1 29 29 GLN HE21 H 1 7.094 0.000 . 1 . . . . 29 Gln HE21 . 16477 1 203 . 1 1 29 29 GLN HE22 H 1 6.071 0.000 . 1 . . . . 29 Gln HE22 . 16477 1 204 . 1 1 29 29 GLN HG2 H 1 2.381 0.000 . 1 . . . . 29 Gln HG2 . 16477 1 205 . 1 1 29 29 GLN HG3 H 1 2.381 0.000 . 1 . . . . 29 Gln HG3 . 16477 1 stop_ save_