################################### # 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 25916 _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 $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 '2H isotope effect for all 1H.' _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' . . . 25916 1 2 '2D 1H-1H NOESY' . . . 25916 1 3 '2D 1H-13C HSQC' . . . 25916 1 4 '2D 1H-15N sfHMQC' . . . 25916 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 PRO HA H 1 4.5140 0.0000 . 1 . . . . 1 PRO HA . 25916 1 2 . 1 1 1 1 PRO HB2 H 1 2.0840 0.0000 . 2 . . . . 1 PRO HB2 . 25916 1 3 . 1 1 1 1 PRO HG2 H 1 2.1020 0.0000 . 2 . . . . 1 PRO HG2 . 25916 1 4 . 1 1 1 1 PRO HD2 H 1 2.5550 0.0000 . 1 . . . . 1 PRO HD2 . 25916 1 5 . 1 1 1 1 PRO CA C 13 58.9110 0.0000 . 1 . . . . 1 PRO CA . 25916 1 6 . 1 1 1 1 PRO CB C 13 31.4470 0.0000 . 1 . . . . 1 PRO CB . 25916 1 7 . 1 1 1 1 PRO CG C 13 26.5660 0.0000 . 1 . . . . 1 PRO CG . 25916 1 8 . 1 1 1 1 PRO CD C 13 49.4190 0.0000 . 1 . . . . 1 PRO CD . 25916 1 9 . 1 1 2 2 LYS H H 1 7.4410 0.0000 . 1 . . . . 2 LYS H . 25916 1 10 . 1 1 2 2 LYS HA H 1 4.3300 0.0000 . 1 . . . . 2 LYS HA . 25916 1 11 . 1 1 2 2 LYS HB2 H 1 1.9010 0.0000 . 2 . . . . 2 LYS HB2 . 25916 1 12 . 1 1 2 2 LYS HG2 H 1 1.4430 0.0000 . 2 . . . . 2 LYS HG2 . 25916 1 13 . 1 1 2 2 LYS HD2 H 1 1.7350 0.0000 . 2 . . . . 2 LYS HD2 . 25916 1 14 . 1 1 2 2 LYS HE2 H 1 3.0090 0.0000 . 2 . . . . 2 LYS HE2 . 25916 1 15 . 1 1 2 2 LYS CA C 13 57.0840 0.0000 . 1 . . . . 2 LYS CA . 25916 1 16 . 1 1 2 2 LYS CB C 13 32.2340 0.0000 . 1 . . . . 2 LYS CB . 25916 1 17 . 1 1 2 2 LYS CG C 13 24.9750 0.0000 . 1 . . . . 2 LYS CG . 25916 1 18 . 1 1 2 2 LYS CD C 13 30.1270 0.0000 . 1 . . . . 2 LYS CD . 25916 1 19 . 1 1 2 2 LYS CE C 13 42.2830 0.0000 . 1 . . . . 2 LYS CE . 25916 1 20 . 1 1 2 2 LYS N N 15 119.6820 0.0000 . 1 . . . . 2 LYS N . 25916 1 21 . 1 1 3 3 ILE H H 1 8.4240 0.0000 . 1 . . . . 3 ILE H . 25916 1 22 . 1 1 3 3 ILE HA H 1 3.8410 0.0000 . 1 . . . . 3 ILE HA . 25916 1 23 . 1 1 3 3 ILE HB H 1 2.1200 0.0000 . 1 . . . . 3 ILE HB . 25916 1 24 . 1 1 3 3 ILE HG12 H 1 1.2500 0.0000 . 2 . . . . 3 ILE HG12 . 25916 1 25 . 1 1 3 3 ILE HG21 H 1 0.8990 0.0000 . 1 . . . . 3 ILE HG21 . 25916 1 26 . 1 1 3 3 ILE HG22 H 1 0.8990 0.0000 . 1 . . . . 3 ILE HG21 . 25916 1 27 . 1 1 3 3 ILE HG23 H 1 0.8990 0.0000 . 1 . . . . 3 ILE HG21 . 25916 1 28 . 1 1 3 3 ILE HD11 H 1 0.9480 0.0000 . 1 . . . . 3 ILE HD11 . 25916 1 29 . 1 1 3 3 ILE HD12 H 1 0.9480 0.0000 . 1 . . . . 3 ILE HD11 . 25916 1 30 . 1 1 3 3 ILE HD13 H 1 0.9480 0.0000 . 1 . . . . 3 ILE HD11 . 25916 1 31 . 1 1 3 3 ILE CA C 13 57.9480 0.0000 . 1 . . . . 3 ILE CA . 25916 1 32 . 1 1 3 3 ILE CB C 13 37.4700 0.0000 . 1 . . . . 3 ILE CB . 25916 1 33 . 1 1 3 3 ILE CG1 C 13 26.7160 0.0000 . 1 . . . . 3 ILE CG1 . 25916 1 34 . 1 1 3 3 ILE CD1 C 13 13.2160 0.0000 . 1 . . . . 3 ILE CD1 . 25916 1 35 . 1 1 3 3 ILE N N 15 119.9420 0.0000 . 1 . . . . 3 ILE N . 25916 1 36 . 1 1 4 4 LEU H H 1 8.0110 0.0000 . 1 . . . . 4 LEU H . 25916 1 37 . 1 1 4 4 LEU HA H 1 4.0060 0.0000 . 1 . . . . 4 LEU HA . 25916 1 38 . 1 1 4 4 LEU HB2 H 1 1.7590 0.0000 . 2 . . . . 4 LEU HB2 . 25916 1 39 . 1 1 4 4 LEU HG H 1 1.5930 0.0000 . 1 . . . . 4 LEU HG . 25916 1 40 . 1 1 4 4 LEU HD11 H 1 0.9500 0.0000 . 2 . . . . 4 LEU HD11 . 25916 1 41 . 1 1 4 4 LEU HD12 H 1 0.9500 0.0000 . 2 . . . . 4 LEU HD11 . 25916 1 42 . 1 1 4 4 LEU HD13 H 1 0.9500 0.0000 . 2 . . . . 4 LEU HD11 . 25916 1 43 . 1 1 4 4 LEU HD21 H 1 0.8900 0.0000 . 2 . . . . 4 LEU HD21 . 25916 1 44 . 1 1 4 4 LEU HD22 H 1 0.8900 0.0000 . 2 . . . . 4 LEU HD21 . 25916 1 45 . 1 1 4 4 LEU HD23 H 1 0.8900 0.0000 . 2 . . . . 4 LEU HD21 . 25916 1 46 . 1 1 4 4 LEU CA C 13 58.3490 0.0000 . 1 . . . . 4 LEU CA . 25916 1 47 . 1 1 4 4 LEU CB C 13 41.4970 0.0000 . 1 . . . . 4 LEU CB . 25916 1 48 . 1 1 4 4 LEU CG C 13 26.6110 0.0000 . 1 . . . . 4 LEU CG . 25916 1 49 . 1 1 4 4 LEU CD1 C 13 24.7120 0.0000 . 2 . . . . 4 LEU CD1 . 25916 1 50 . 1 1 4 4 LEU CD2 C 13 24.8430 0.0000 . 2 . . . . 4 LEU CD2 . 25916 1 51 . 1 1 4 4 LEU N N 15 119.8070 0.0000 . 1 . . . . 4 LEU N . 25916 1 52 . 1 1 5 5 ASN H H 1 8.0550 0.0000 . 1 . . . . 5 ASN H . 25916 1 53 . 1 1 5 5 ASN HA H 1 4.3280 0.0000 . 1 . . . . 5 ASN HA . 25916 1 54 . 1 1 5 5 ASN HB2 H 1 2.7300 0.0000 . 2 . . . . 5 ASN HB2 . 25916 1 55 . 1 1 5 5 ASN HD21 H 1 7.5360 0.0000 . 2 . . . . 5 ASN HD21 . 25916 1 56 . 1 1 5 5 ASN HD22 H 1 6.8560 0.0000 . 2 . . . . 5 ASN HD22 . 25916 1 57 . 1 1 5 5 ASN CA C 13 58.5050 0.0000 . 1 . . . . 5 ASN CA . 25916 1 58 . 1 1 5 5 ASN CB C 13 39.0220 0.0000 . 1 . . . . 5 ASN CB . 25916 1 59 . 1 1 5 5 ASN N N 15 119.7460 0.0000 . 1 . . . . 5 ASN N . 25916 1 60 . 1 1 5 5 ASN ND2 N 15 111.6070 0.0000 . 1 . . . . 5 ASN ND2 . 25916 1 61 . 1 1 6 6 LYS H H 1 7.8130 0.0000 . 1 . . . . 6 LYS H . 25916 1 62 . 1 1 6 6 LYS HA H 1 4.1480 0.0000 . 1 . . . . 6 LYS HA . 25916 1 63 . 1 1 6 6 LYS HB2 H 1 2.0710 0.0000 . 2 . . . . 6 LYS HB2 . 25916 1 64 . 1 1 6 6 LYS HG2 H 1 1.6450 0.0000 . 2 . . . . 6 LYS HG2 . 25916 1 65 . 1 1 6 6 LYS HD2 H 1 1.5090 0.0000 . 2 . . . . 6 LYS HD2 . 25916 1 66 . 1 1 6 6 LYS HE2 H 1 3.0000 0.0000 . 2 . . . . 6 LYS HE2 . 25916 1 67 . 1 1 6 6 LYS CA C 13 59.3090 0.0000 . 1 . . . . 6 LYS CA . 25916 1 68 . 1 1 6 6 LYS CB C 13 32.0910 0.0000 . 1 . . . . 6 LYS CB . 25916 1 69 . 1 1 6 6 LYS CG C 13 25.1070 0.0000 . 1 . . . . 6 LYS CG . 25916 1 70 . 1 1 6 6 LYS CD C 13 31.5000 0.0000 . 1 . . . . 6 LYS CD . 25916 1 71 . 1 1 6 6 LYS CE C 13 42.2830 0.0000 . 1 . . . . 6 LYS CE . 25916 1 72 . 1 1 6 6 LYS N N 15 119.8580 0.0000 . 1 . . . . 6 LYS N . 25916 1 73 . 1 1 7 7 ILE H H 1 8.0940 0.0000 . 1 . . . . 7 ILE H . 25916 1 74 . 1 1 7 7 ILE HA H 1 3.7350 0.0000 . 1 . . . . 7 ILE HA . 25916 1 75 . 1 1 7 7 ILE HB H 1 2.0100 0.0000 . 1 . . . . 7 ILE HB . 25916 1 76 . 1 1 7 7 ILE HG12 H 1 1.8600 0.0000 . 1 . . . . 7 ILE HG12 . 25916 1 77 . 1 1 7 7 ILE HG21 H 1 0.8560 0.0000 . 1 . . . . 7 ILE HG21 . 25916 1 78 . 1 1 7 7 ILE HG22 H 1 0.8560 0.0000 . 1 . . . . 7 ILE HG21 . 25916 1 79 . 1 1 7 7 ILE HG23 H 1 0.8560 0.0000 . 1 . . . . 7 ILE HG21 . 25916 1 80 . 1 1 7 7 ILE HD11 H 1 0.8980 0.0000 . 1 . . . . 7 ILE HD11 . 25916 1 81 . 1 1 7 7 ILE HD12 H 1 0.8980 0.0000 . 1 . . . . 7 ILE HD11 . 25916 1 82 . 1 1 7 7 ILE HD13 H 1 0.8980 0.0000 . 1 . . . . 7 ILE HD11 . 25916 1 83 . 1 1 7 7 ILE CB C 13 38.2800 0.0000 . 1 . . . . 7 ILE CB . 25916 1 84 . 1 1 7 7 ILE CG1 C 13 26.7690 0.0000 . 1 . . . . 7 ILE CG1 . 25916 1 85 . 1 1 7 7 ILE CG2 C 13 17.7990 0.0000 . 1 . . . . 7 ILE CG2 . 25916 1 86 . 1 1 7 7 ILE CD1 C 13 14.0900 0.0000 . 1 . . . . 7 ILE CD1 . 25916 1 87 . 1 1 7 7 ILE N N 15 119.5950 0.0000 . 1 . . . . 7 ILE N . 25916 1 88 . 1 1 8 8 LEU H H 1 8.5600 0.0000 . 1 . . . . 8 LEU H . 25916 1 89 . 1 1 8 8 LEU HA H 1 4.0290 0.0000 . 1 . . . . 8 LEU HA . 25916 1 90 . 1 1 8 8 LEU HB2 H 1 1.7500 0.0000 . 2 . . . . 8 LEU HB2 . 25916 1 91 . 1 1 8 8 LEU HG H 1 1.7100 0.0000 . 1 . . . . 8 LEU HG . 25916 1 92 . 1 1 8 8 LEU HD11 H 1 0.9700 0.0000 . 2 . . . . 8 LEU HD11 . 25916 1 93 . 1 1 8 8 LEU HD12 H 1 0.9700 0.0000 . 2 . . . . 8 LEU HD11 . 25916 1 94 . 1 1 8 8 LEU HD13 H 1 0.9700 0.0000 . 2 . . . . 8 LEU HD11 . 25916 1 95 . 1 1 8 8 LEU HD21 H 1 0.9200 0.0000 . 2 . . . . 8 LEU HD21 . 25916 1 96 . 1 1 8 8 LEU HD22 H 1 0.9200 0.0000 . 2 . . . . 8 LEU HD21 . 25916 1 97 . 1 1 8 8 LEU HD23 H 1 0.9200 0.0000 . 2 . . . . 8 LEU HD21 . 25916 1 98 . 1 1 8 8 LEU CA C 13 58.2600 0.0000 . 1 . . . . 8 LEU CA . 25916 1 99 . 1 1 8 8 LEU CB C 13 41.5710 0.0000 . 1 . . . . 8 LEU CB . 25916 1 100 . 1 1 8 8 LEU CG C 13 27.0470 0.0000 . 1 . . . . 8 LEU CG . 25916 1 101 . 1 1 8 8 LEU CD1 C 13 24.9320 0.0000 . 2 . . . . 8 LEU CD1 . 25916 1 102 . 1 1 8 8 LEU CD2 C 13 24.2140 0.0000 . 2 . . . . 8 LEU CD2 . 25916 1 103 . 1 1 8 8 LEU N N 15 119.9700 0.0000 . 1 . . . . 8 LEU N . 25916 1 104 . 1 1 9 9 GLY H H 1 8.0960 0.0000 . 1 . . . . 9 GLY H . 25916 1 105 . 1 1 9 9 GLY HA2 H 1 3.9500 0.0000 . 2 . . . . 9 GLY HA2 . 25916 1 106 . 1 1 9 9 GLY CA C 13 49.0700 0.0000 . 1 . . . . 9 GLY CA . 25916 1 107 . 1 1 10 10 LYS H H 1 7.5700 0.0000 . 1 . . . . 10 LYS H . 25916 1 108 . 1 1 10 10 LYS HA H 1 4.1990 0.0000 . 1 . . . . 10 LYS HA . 25916 1 109 . 1 1 10 10 LYS HB2 H 1 2.0890 0.0000 . 2 . . . . 10 LYS HB2 . 25916 1 110 . 1 1 10 10 LYS HG2 H 1 1.5110 0.0000 . 2 . . . . 10 LYS HG2 . 25916 1 111 . 1 1 10 10 LYS HE2 H 1 3.0040 0.0000 . 2 . . . . 10 LYS HE2 . 25916 1 112 . 1 1 10 10 LYS CA C 13 58.5910 0.0000 . 1 . . . . 10 LYS CA . 25916 1 113 . 1 1 10 10 LYS CB C 13 32.0900 0.0000 . 1 . . . . 10 LYS CB . 25916 1 114 . 1 1 10 10 LYS CG C 13 25.0230 0.0000 . 1 . . . . 10 LYS CG . 25916 1 115 . 1 1 10 10 LYS CE C 13 42.2830 0.0000 . 1 . . . . 10 LYS CE . 25916 1 116 . 1 1 10 10 LYS N N 15 121.0520 0.0000 . 1 . . . . 10 LYS N . 25916 1 117 . 1 1 11 11 ILE H H 1 8.1290 0.0000 . 1 . . . . 11 ILE H . 25916 1 118 . 1 1 11 11 ILE HA H 1 3.7040 0.0000 . 1 . . . . 11 ILE HA . 25916 1 119 . 1 1 11 11 ILE HB H 1 2.1050 0.0000 . 1 . . . . 11 ILE HB . 25916 1 120 . 1 1 11 11 ILE HG12 H 1 1.1440 0.0000 . 1 . . . . 11 ILE HG12 . 25916 1 121 . 1 1 11 11 ILE HG21 H 1 0.8290 0.0000 . 1 . . . . 11 ILE HG21 . 25916 1 122 . 1 1 11 11 ILE HG22 H 1 0.8290 0.0000 . 1 . . . . 11 ILE HG21 . 25916 1 123 . 1 1 11 11 ILE HG23 H 1 0.8290 0.0000 . 1 . . . . 11 ILE HG21 . 25916 1 124 . 1 1 11 11 ILE HD11 H 1 0.9170 0.0000 . 1 . . . . 11 ILE HD11 . 25916 1 125 . 1 1 11 11 ILE HD12 H 1 0.9170 0.0000 . 1 . . . . 11 ILE HD11 . 25916 1 126 . 1 1 11 11 ILE HD13 H 1 0.9170 0.0000 . 1 . . . . 11 ILE HD11 . 25916 1 127 . 1 1 11 11 ILE CB C 13 37.4860 0.0000 . 1 . . . . 11 ILE CB . 25916 1 128 . 1 1 11 11 ILE CG1 C 13 31.6600 0.0000 . 1 . . . . 11 ILE CG1 . 25916 1 129 . 1 1 11 11 ILE CG2 C 13 17.7440 0.0000 . 1 . . . . 11 ILE CG2 . 25916 1 130 . 1 1 11 11 ILE CD1 C 13 13.6990 0.0000 . 1 . . . . 11 ILE CD1 . 25916 1 131 . 1 1 11 11 ILE N N 15 119.5760 0.0000 . 1 . . . . 11 ILE N . 25916 1 132 . 1 1 12 12 LEU H H 1 8.5100 0.0000 . 1 . . . . 12 LEU H . 25916 1 133 . 1 1 12 12 LEU HA H 1 4.0620 0.0000 . 1 . . . . 12 LEU HA . 25916 1 134 . 1 1 12 12 LEU HB2 H 1 1.8800 0.0000 . 2 . . . . 12 LEU HB2 . 25916 1 135 . 1 1 12 12 LEU HG H 1 1.5100 0.0000 . 1 . . . . 12 LEU HG . 25916 1 136 . 1 1 12 12 LEU HD11 H 1 0.9100 0.0000 . 2 . . . . 12 LEU HD11 . 25916 1 137 . 1 1 12 12 LEU HD12 H 1 0.9100 0.0000 . 2 . . . . 12 LEU HD11 . 25916 1 138 . 1 1 12 12 LEU HD13 H 1 0.9100 0.0000 . 2 . . . . 12 LEU HD11 . 25916 1 139 . 1 1 12 12 LEU HD21 H 1 0.8900 0.0000 . 2 . . . . 12 LEU HD21 . 25916 1 140 . 1 1 12 12 LEU HD22 H 1 0.8900 0.0000 . 2 . . . . 12 LEU HD21 . 25916 1 141 . 1 1 12 12 LEU HD23 H 1 0.8900 0.0000 . 2 . . . . 12 LEU HD21 . 25916 1 142 . 1 1 12 12 LEU CA C 13 58.5370 0.0000 . 1 . . . . 12 LEU CA . 25916 1 143 . 1 1 12 12 LEU CB C 13 41.5280 0.0000 . 1 . . . . 12 LEU CB . 25916 1 144 . 1 1 12 12 LEU CG C 13 27.3930 0.0000 . 1 . . . . 12 LEU CG . 25916 1 145 . 1 1 12 12 LEU CD1 C 13 24.3000 0.0000 . 2 . . . . 12 LEU CD1 . 25916 1 146 . 1 1 12 12 LEU CD2 C 13 24.2630 0.0000 . 2 . . . . 12 LEU CD2 . 25916 1 147 . 1 1 12 12 LEU N N 15 119.6810 0.0000 . 1 . . . . 12 LEU N . 25916 1 148 . 1 1 13 13 ARG H H 1 7.6810 0.0000 . 1 . . . . 13 ARG H . 25916 1 149 . 1 1 13 13 ARG HA H 1 4.1190 0.0000 . 1 . . . . 13 ARG HA . 25916 1 150 . 1 1 13 13 ARG HB2 H 1 1.9800 0.0000 . 2 . . . . 13 ARG HB2 . 25916 1 151 . 1 1 13 13 ARG HG2 H 1 1.6800 0.0000 . 2 . . . . 13 ARG HG2 . 25916 1 152 . 1 1 13 13 ARG HD2 H 1 3.2350 0.0000 . 2 . . . . 13 ARG HD2 . 25916 1 153 . 1 1 13 13 ARG HE H 1 7.1970 0.0000 . 1 . . . . 13 ARG HE . 25916 1 154 . 1 1 13 13 ARG HH21 H 1 7.2100 0.0000 . 1 . . . . 13 ARG HH21 . 25916 1 155 . 1 1 13 13 ARG HH22 H 1 7.1840 0.0000 . 1 . . . . 13 ARG HH22 . 25916 1 156 . 1 1 13 13 ARG CA C 13 58.0920 0.0000 . 1 . . . . 13 ARG CA . 25916 1 157 . 1 1 13 13 ARG CB C 13 30.5860 0.0000 . 1 . . . . 13 ARG CB . 25916 1 158 . 1 1 13 13 ARG CG C 13 28.8980 0.0000 . 1 . . . . 13 ARG CG . 25916 1 159 . 1 1 13 13 ARG CD C 13 43.6700 0.0000 . 1 . . . . 13 ARG CD . 25916 1 160 . 1 1 13 13 ARG N N 15 119.5110 0.0000 . 1 . . . . 13 ARG N . 25916 1 161 . 1 1 14 14 LEU H H 1 7.9910 0.0000 . 1 . . . . 14 LEU H . 25916 1 162 . 1 1 14 14 LEU HA H 1 4.1850 0.0000 . 1 . . . . 14 LEU HA . 25916 1 163 . 1 1 14 14 LEU HB2 H 1 1.9100 0.0000 . 2 . . . . 14 LEU HB2 . 25916 1 164 . 1 1 14 14 LEU HG H 1 1.7190 0.0000 . 1 . . . . 14 LEU HG . 25916 1 165 . 1 1 14 14 LEU HD11 H 1 0.9710 0.0000 . 2 . . . . 14 LEU HD11 . 25916 1 166 . 1 1 14 14 LEU HD12 H 1 0.9710 0.0000 . 2 . . . . 14 LEU HD11 . 25916 1 167 . 1 1 14 14 LEU HD13 H 1 0.9710 0.0000 . 2 . . . . 14 LEU HD11 . 25916 1 168 . 1 1 14 14 LEU HD21 H 1 0.9140 0.0000 . 2 . . . . 14 LEU HD21 . 25916 1 169 . 1 1 14 14 LEU HD22 H 1 0.9140 0.0000 . 2 . . . . 14 LEU HD21 . 25916 1 170 . 1 1 14 14 LEU HD23 H 1 0.9140 0.0000 . 2 . . . . 14 LEU HD21 . 25916 1 171 . 1 1 14 14 LEU CA C 13 57.9750 0.0000 . 1 . . . . 14 LEU CA . 25916 1 172 . 1 1 14 14 LEU CB C 13 42.2080 0.0000 . 1 . . . . 14 LEU CB . 25916 1 173 . 1 1 14 14 LEU CG C 13 26.2460 0.0000 . 1 . . . . 14 LEU CG . 25916 1 174 . 1 1 14 14 LEU CD1 C 13 25.1620 0.0000 . 2 . . . . 14 LEU CD1 . 25916 1 175 . 1 1 14 14 LEU CD2 C 13 24.8400 0.0000 . 2 . . . . 14 LEU CD2 . 25916 1 176 . 1 1 14 14 LEU N N 15 121.3880 0.0000 . 1 . . . . 14 LEU N . 25916 1 177 . 1 1 15 15 ALA H H 1 8.4650 0.0000 . 1 . . . . 15 ALA H . 25916 1 178 . 1 1 15 15 ALA HA H 1 4.0590 0.0000 . 1 . . . . 15 ALA HA . 25916 1 179 . 1 1 15 15 ALA HB1 H 1 1.4900 0.0000 . 1 . . . . 15 ALA HB1 . 25916 1 180 . 1 1 15 15 ALA HB2 H 1 1.4900 0.0000 . 1 . . . . 15 ALA HB1 . 25916 1 181 . 1 1 15 15 ALA HB3 H 1 1.4900 0.0000 . 1 . . . . 15 ALA HB1 . 25916 1 182 . 1 1 15 15 ALA CA C 13 54.9110 0.0000 . 1 . . . . 15 ALA CA . 25916 1 183 . 1 1 15 15 ALA CB C 13 18.5450 0.0000 . 1 . . . . 15 ALA CB . 25916 1 184 . 1 1 15 15 ALA N N 15 120.2890 0.0000 . 1 . . . . 15 ALA N . 25916 1 185 . 1 1 16 16 ALA H H 1 7.7340 0.0000 . 1 . . . . 16 ALA H . 25916 1 186 . 1 1 16 16 ALA HA H 1 4.1330 0.0000 . 1 . . . . 16 ALA HA . 25916 1 187 . 1 1 16 16 ALA HB1 H 1 1.5180 0.0000 . 1 . . . . 16 ALA HB1 . 25916 1 188 . 1 1 16 16 ALA HB2 H 1 1.5180 0.0000 . 1 . . . . 16 ALA HB1 . 25916 1 189 . 1 1 16 16 ALA HB3 H 1 1.5180 0.0000 . 1 . . . . 16 ALA HB1 . 25916 1 190 . 1 1 16 16 ALA CA C 13 54.2310 0.0000 . 1 . . . . 16 ALA CA . 25916 1 191 . 1 1 16 16 ALA CB C 13 18.6840 0.0000 . 1 . . . . 16 ALA CB . 25916 1 192 . 1 1 16 16 ALA N N 15 117.9630 0.0000 . 1 . . . . 16 ALA N . 25916 1 193 . 1 1 17 17 ALA H H 1 7.6160 0.0000 . 1 . . . . 17 ALA H . 25916 1 194 . 1 1 17 17 ALA HA H 1 4.1960 0.0000 . 1 . . . . 17 ALA HA . 25916 1 195 . 1 1 17 17 ALA HB1 H 1 1.3160 0.0000 . 1 . . . . 17 ALA HB1 . 25916 1 196 . 1 1 17 17 ALA HB2 H 1 1.3160 0.0000 . 1 . . . . 17 ALA HB1 . 25916 1 197 . 1 1 17 17 ALA HB3 H 1 1.3160 0.0000 . 1 . . . . 17 ALA HB1 . 25916 1 198 . 1 1 17 17 ALA CA C 13 53.7010 0.0000 . 1 . . . . 17 ALA CA . 25916 1 199 . 1 1 17 17 ALA CB C 13 18.8200 0.0000 . 1 . . . . 17 ALA CB . 25916 1 200 . 1 1 17 17 ALA N N 15 119.6180 0.0000 . 1 . . . . 17 ALA N . 25916 1 201 . 1 1 18 18 PHE H H 1 7.7100 0.0000 . 1 . . . . 18 PHE H . 25916 1 202 . 1 1 18 18 PHE HA H 1 4.5400 0.0000 . 1 . . . . 18 PHE HA . 25916 1 203 . 1 1 18 18 PHE HB2 H 1 2.9400 0.0000 . 2 . . . . 18 PHE HB2 . 25916 1 204 . 1 1 18 18 PHE HD1 H 1 7.3690 0.0000 . 3 . . . . 18 PHE HD1 . 25916 1 205 . 1 1 18 18 PHE HD2 H 1 7.3690 0.0000 . 3 . . . . 18 PHE HD2 . 25916 1 206 . 1 1 18 18 PHE HE1 H 1 7.2670 0.0000 . 3 . . . . 18 PHE HE1 . 25916 1 207 . 1 1 18 18 PHE HE2 H 1 7.2670 0.0000 . 3 . . . . 18 PHE HE2 . 25916 1 208 . 1 1 18 18 PHE HZ H 1 7.2000 0.0000 . 1 . . . . 18 PHE HZ . 25916 1 209 . 1 1 18 18 PHE CA C 13 58.5100 0.0000 . 1 . . . . 18 PHE CA . 25916 1 210 . 1 1 18 18 PHE CB C 13 37.9210 0.0000 . 1 . . . . 18 PHE CB . 25916 1 211 . 1 1 18 18 PHE CD1 C 13 132.2410 0.0000 . 3 . . . . 18 PHE CD1 . 25916 1 212 . 1 1 18 18 PHE CD2 C 13 132.0570 0.0000 . 3 . . . . 18 PHE CD2 . 25916 1 213 . 1 1 18 18 PHE CE1 C 13 131.1770 0.0000 . 3 . . . . 18 PHE CE1 . 25916 1 214 . 1 1 18 18 PHE CE2 C 13 131.3610 0.0000 . 3 . . . . 18 PHE CE2 . 25916 1 215 . 1 1 18 18 PHE CZ C 13 129.6220 0.0000 . 1 . . . . 18 PHE CZ . 25916 1 216 . 1 1 18 18 PHE N N 15 116.8410 0.0000 . 1 . . . . 18 PHE N . 25916 1 217 . 1 1 19 19 LYS H H 1 7.4470 0.0000 . 1 . . . . 19 LYS H . 25916 1 218 . 1 1 19 19 LYS HA H 1 4.1560 0.0000 . 1 . . . . 19 LYS HA . 25916 1 219 . 1 1 19 19 LYS HB2 H 1 1.8600 0.0000 . 2 . . . . 19 LYS HB2 . 25916 1 220 . 1 1 19 19 LYS HG2 H 1 1.4400 0.0000 . 2 . . . . 19 LYS HG2 . 25916 1 221 . 1 1 19 19 LYS HD2 H 1 1.6940 0.0000 . 2 . . . . 19 LYS HD2 . 25916 1 222 . 1 1 19 19 LYS HE2 H 1 3.0020 0.0000 . 2 . . . . 19 LYS HE2 . 25916 1 223 . 1 1 19 19 LYS CA C 13 59.1890 0.0000 . 1 . . . . 19 LYS CA . 25916 1 224 . 1 1 19 19 LYS CB C 13 33.5440 0.0000 . 1 . . . . 19 LYS CB . 25916 1 225 . 1 1 19 19 LYS CG C 13 24.9190 0.0000 . 1 . . . . 19 LYS CG . 25916 1 226 . 1 1 19 19 LYS CD C 13 28.9510 0.0000 . 1 . . . . 19 LYS CD . 25916 1 227 . 1 1 19 19 LYS CE C 13 42.2830 0.0000 . 1 . . . . 19 LYS CE . 25916 1 228 . 1 1 19 19 LYS N N 15 125.3880 0.0000 . 1 . . . . 19 LYS N . 25916 1 stop_ save_