################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30516 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 30516 1 2 '2D 1H-1H NOESY' . . . 30516 1 3 '2D 1H-13C HSQC' . . . 30516 1 4 '2D 1H-15N HMQC' . . . 30516 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 PRO HA H 1 4.7210 0.0000 . 1 . . . . A 1 PRO HA . 30516 1 2 . 1 1 1 1 PRO HB2 H 1 2.0690 0.0000 . 1 . . . . A 1 PRO HB2 . 30516 1 3 . 1 1 1 1 PRO HD2 H 1 3.4320 0.0000 . 1 . . . . A 1 PRO HD2 . 30516 1 4 . 1 1 1 1 PRO CB C 13 32.3880 0.0000 . 1 . . . . A 1 PRO CB . 30516 1 5 . 1 1 1 1 PRO CD C 13 49.3740 0.0000 . 1 . . . . A 1 PRO CD . 30516 1 6 . 1 1 1 1 PRO N N 15 117.6280 0.0000 . 1 . . . . A 1 PRO N . 30516 1 7 . 1 1 2 2 MET H H 1 8.5380 0.0000 . 1 . . . . A 2 MET H . 30516 1 8 . 1 1 2 2 MET HA H 1 4.4800 0.0000 . 1 . . . . A 2 MET HA . 30516 1 9 . 1 1 2 2 MET HB2 H 1 2.0520 0.0000 . 1 . . . . A 2 MET HB2 . 30516 1 10 . 1 1 2 2 MET HB3 H 1 2.0380 0.0000 . 1 . . . . A 2 MET HB3 . 30516 1 11 . 1 1 2 2 MET HG2 H 1 2.5720 0.0000 . 1 . . . . A 2 MET HG2 . 30516 1 12 . 1 1 2 2 MET CA C 13 56.2420 0.0000 . 1 . . . . A 2 MET CA . 30516 1 13 . 1 1 2 2 MET CB C 13 32.6010 0.0000 . 1 . . . . A 2 MET CB . 30516 1 14 . 1 1 2 2 MET CG C 13 32.0420 0.0000 . 1 . . . . A 2 MET CG . 30516 1 15 . 1 1 2 2 MET N N 15 120.0810 0.0000 . 1 . . . . A 2 MET N . 30516 1 16 . 1 1 3 3 ALA H H 1 8.2950 0.0000 . 1 . . . . A 3 ALA H . 30516 1 17 . 1 1 3 3 ALA HA H 1 4.3090 0.0000 . 1 . . . . A 3 ALA HA . 30516 1 18 . 1 1 3 3 ALA HB1 H 1 1.4210 0.0000 . 1 . . . . A 3 ALA HB1 . 30516 1 19 . 1 1 3 3 ALA HB2 H 1 1.4210 0.0000 . 1 . . . . A 3 ALA HB2 . 30516 1 20 . 1 1 3 3 ALA HB3 H 1 1.4210 0.0000 . 1 . . . . A 3 ALA HB3 . 30516 1 21 . 1 1 3 3 ALA CA C 13 52.9790 0.0000 . 1 . . . . A 3 ALA CA . 30516 1 22 . 1 1 3 3 ALA N N 15 124.7810 0.0000 . 1 . . . . A 3 ALA N . 30516 1 23 . 1 1 4 4 ARG H H 1 8.1680 0.0000 . 1 . . . . A 4 ARG H . 30516 1 24 . 1 1 4 4 ARG HA H 1 4.2260 0.0000 . 1 . . . . A 4 ARG HA . 30516 1 25 . 1 1 4 4 ARG HB2 H 1 1.8940 0.0000 . 1 . . . . A 4 ARG HB2 . 30516 1 26 . 1 1 4 4 ARG HG2 H 1 1.6270 0.0000 . 1 . . . . A 4 ARG HG2 . 30516 1 27 . 1 1 4 4 ARG HD2 H 1 3.2140 0.0000 . 1 . . . . A 4 ARG HD2 . 30516 1 28 . 1 1 4 4 ARG HD3 H 1 3.1380 0.0000 . 1 . . . . A 4 ARG HD3 . 30516 1 29 . 1 1 4 4 ARG HE H 1 7.1420 0.0000 . 1 . . . . A 4 ARG HE . 30516 1 30 . 1 1 4 4 ARG CA C 13 57.1250 0.0000 . 1 . . . . A 4 ARG CA . 30516 1 31 . 1 1 4 4 ARG CB C 13 29.8110 0.0000 . 1 . . . . A 4 ARG CB . 30516 1 32 . 1 1 4 4 ARG CD C 13 43.4630 0.0000 . 1 . . . . A 4 ARG CD . 30516 1 33 . 1 1 4 4 ARG N N 15 118.0870 0.0000 . 1 . . . . A 4 ARG N . 30516 1 34 . 1 1 5 5 ASN H H 1 8.1790 0.0000 . 1 . . . . A 5 ASN H . 30516 1 35 . 1 1 5 5 ASN HA H 1 4.5980 0.0000 . 1 . . . . A 5 ASN HA . 30516 1 36 . 1 1 5 5 ASN HB2 H 1 2.8330 0.0000 . 1 . . . . A 5 ASN HB2 . 30516 1 37 . 1 1 5 5 ASN HD21 H 1 7.5320 0.0000 . 1 . . . . A 5 ASN HD21 . 30516 1 38 . 1 1 5 5 ASN HD22 H 1 6.7560 0.0000 . 1 . . . . A 5 ASN HD22 . 30516 1 39 . 1 1 5 5 ASN CB C 13 38.8090 0.0000 . 1 . . . . A 5 ASN CB . 30516 1 40 . 1 1 5 5 ASN N N 15 117.7270 0.0000 . 1 . . . . A 5 ASN N . 30516 1 41 . 1 1 6 6 LYS H H 1 8.1400 0.0000 . 1 . . . . A 6 LYS H . 30516 1 42 . 1 1 6 6 LYS HA H 1 4.2830 0.0000 . 1 . . . . A 6 LYS HA . 30516 1 43 . 1 1 6 6 LYS HB2 H 1 1.9860 0.0000 . 1 . . . . A 6 LYS HB2 . 30516 1 44 . 1 1 6 6 LYS HB3 H 1 1.9610 0.0000 . 1 . . . . A 6 LYS HB3 . 30516 1 45 . 1 1 6 6 LYS HD2 H 1 1.7320 0.0000 . 1 . . . . A 6 LYS HD2 . 30516 1 46 . 1 1 6 6 LYS CA C 13 57.7570 0.0000 . 1 . . . . A 6 LYS CA . 30516 1 47 . 1 1 6 6 LYS CB C 13 31.6480 0.0000 . 1 . . . . A 6 LYS CB . 30516 1 48 . 1 1 6 6 LYS N N 15 119.7390 0.0000 . 1 . . . . A 6 LYS N . 30516 1 49 . 1 1 7 7 ILE H H 1 7.9960 0.0000 . 1 . . . . A 7 ILE H . 30516 1 50 . 1 1 7 7 ILE HA H 1 3.8770 0.0000 . 1 . . . . A 7 ILE HA . 30516 1 51 . 1 1 7 7 ILE HB H 1 1.9840 0.0000 . 1 . . . . A 7 ILE HB . 30516 1 52 . 1 1 7 7 ILE HG13 H 1 1.2440 0.0000 . 1 . . . . A 7 ILE HG13 . 30516 1 53 . 1 1 7 7 ILE HD11 H 1 0.9110 0.0000 . 1 . . . . A 7 ILE HD11 . 30516 1 54 . 1 1 7 7 ILE HD12 H 1 0.9110 0.0000 . 1 . . . . A 7 ILE HD12 . 30516 1 55 . 1 1 7 7 ILE HD13 H 1 0.9110 0.0000 . 1 . . . . A 7 ILE HD13 . 30516 1 56 . 1 1 7 7 ILE CA C 13 63.7120 0.0000 . 1 . . . . A 7 ILE CA . 30516 1 57 . 1 1 7 7 ILE CB C 13 37.7970 0.0000 . 1 . . . . A 7 ILE CB . 30516 1 58 . 1 1 7 7 ILE N N 15 119.5730 0.0000 . 1 . . . . A 7 ILE N . 30516 1 59 . 1 1 8 8 LEU H H 1 8.1920 0.0000 . 1 . . . . A 8 LEU H . 30516 1 60 . 1 1 8 8 LEU HA H 1 3.9750 0.0000 . 1 . . . . A 8 LEU HA . 30516 1 61 . 1 1 8 8 LEU HB2 H 1 1.7740 0.0000 . 1 . . . . A 8 LEU HB2 . 30516 1 62 . 1 1 8 8 LEU HG H 1 1.4240 0.0000 . 1 . . . . A 8 LEU HG . 30516 1 63 . 1 1 8 8 LEU HD11 H 1 0.9160 0.0000 . 1 . . . . A 8 LEU HD11 . 30516 1 64 . 1 1 8 8 LEU HD12 H 1 0.9160 0.0000 . 1 . . . . A 8 LEU HD12 . 30516 1 65 . 1 1 8 8 LEU HD13 H 1 0.9160 0.0000 . 1 . . . . A 8 LEU HD13 . 30516 1 66 . 1 1 8 8 LEU CA C 13 58.3590 0.0000 . 1 . . . . A 8 LEU CA . 30516 1 67 . 1 1 8 8 LEU CB C 13 41.4750 0.0000 . 1 . . . . A 8 LEU CB . 30516 1 68 . 1 1 8 8 LEU N N 15 120.2590 0.0000 . 1 . . . . A 8 LEU N . 30516 1 69 . 1 1 9 9 GLY H H 1 8.1890 0.0000 . 1 . . . . A 9 GLY H . 30516 1 70 . 1 1 9 9 GLY HA2 H 1 3.6930 0.0000 . 1 . . . . A 9 GLY HA2 . 30516 1 71 . 1 1 9 9 GLY CA C 13 47.4260 0.0000 . 1 . . . . A 9 GLY CA . 30516 1 72 . 1 1 9 9 GLY N N 15 104.7570 0.0000 . 1 . . . . A 9 GLY N . 30516 1 73 . 1 1 10 10 LYS H H 1 7.5680 0.0000 . 1 . . . . A 10 LYS H . 30516 1 74 . 1 1 10 10 LYS HA H 1 4.0450 0.0000 . 1 . . . . A 10 LYS HA . 30516 1 75 . 1 1 10 10 LYS HB2 H 1 2.0150 0.0000 . 1 . . . . A 10 LYS HB2 . 30516 1 76 . 1 1 10 10 LYS HG2 H 1 1.4890 0.0000 . 1 . . . . A 10 LYS HG2 . 30516 1 77 . 1 1 10 10 LYS HD2 H 1 1.7350 0.0000 . 1 . . . . A 10 LYS HD2 . 30516 1 78 . 1 1 10 10 LYS CA C 13 58.7290 0.0000 . 1 . . . . A 10 LYS CA . 30516 1 79 . 1 1 10 10 LYS CB C 13 31.9160 0.0000 . 1 . . . . A 10 LYS CB . 30516 1 80 . 1 1 10 10 LYS N N 15 120.5160 0.0000 . 1 . . . . A 10 LYS N . 30516 1 81 . 1 1 11 11 ILE H H 1 8.0350 0.0000 . 1 . . . . A 11 ILE H . 30516 1 82 . 1 1 11 11 ILE HA H 1 3.6260 0.0000 . 1 . . . . A 11 ILE HA . 30516 1 83 . 1 1 11 11 ILE HB H 1 2.0850 0.0000 . 1 . . . . A 11 ILE HB . 30516 1 84 . 1 1 11 11 ILE HG12 H 1 0.8890 0.0000 . 1 . . . . A 11 ILE HG12 . 30516 1 85 . 1 1 11 11 ILE HG13 H 1 1.0360 0.0000 . 1 . . . . A 11 ILE HG13 . 30516 1 86 . 1 1 11 11 ILE HG21 H 1 0.8890 0.0000 . 1 . . . . A 11 ILE HG21 . 30516 1 87 . 1 1 11 11 ILE HG22 H 1 0.8890 0.0000 . 1 . . . . A 11 ILE HG22 . 30516 1 88 . 1 1 11 11 ILE HG23 H 1 0.8890 0.0000 . 1 . . . . A 11 ILE HG23 . 30516 1 89 . 1 1 11 11 ILE HD11 H 1 0.8900 0.0000 . 1 . . . . A 11 ILE HD11 . 30516 1 90 . 1 1 11 11 ILE HD12 H 1 0.8900 0.0000 . 1 . . . . A 11 ILE HD12 . 30516 1 91 . 1 1 11 11 ILE HD13 H 1 0.8900 0.0000 . 1 . . . . A 11 ILE HD13 . 30516 1 92 . 1 1 11 11 ILE CA C 13 65.4900 0.0000 . 1 . . . . A 11 ILE CA . 30516 1 93 . 1 1 11 11 ILE CB C 13 37.9490 0.0000 . 1 . . . . A 11 ILE CB . 30516 1 94 . 1 1 11 11 ILE N N 15 119.5840 0.0000 . 1 . . . . A 11 ILE N . 30516 1 95 . 1 1 12 12 LEU H H 1 7.9730 0.0000 . 1 . . . . A 12 LEU H . 30516 1 96 . 1 1 12 12 LEU HA H 1 3.9970 0.0000 . 1 . . . . A 12 LEU HA . 30516 1 97 . 1 1 12 12 LEU HB2 H 1 1.8760 0.0000 . 1 . . . . A 12 LEU HB2 . 30516 1 98 . 1 1 12 12 LEU CA C 13 58.3590 0.0000 . 1 . . . . A 12 LEU CA . 30516 1 99 . 1 1 12 12 LEU CB C 13 41.0550 0.0000 . 1 . . . . A 12 LEU CB . 30516 1 100 . 1 1 12 12 LEU N N 15 117.1020 0.0000 . 1 . . . . A 12 LEU N . 30516 1 101 . 1 1 13 13 ARG H H 1 8.4590 0.0000 . 1 . . . . A 13 ARG H . 30516 1 102 . 1 1 13 13 ARG HA H 1 4.0050 0.0000 . 1 . . . . A 13 ARG HA . 30516 1 103 . 1 1 13 13 ARG HB2 H 1 1.8740 0.0000 . 1 . . . . A 13 ARG HB2 . 30516 1 104 . 1 1 13 13 ARG HG2 H 1 1.5600 0.0000 . 1 . . . . A 13 ARG HG2 . 30516 1 105 . 1 1 13 13 ARG HD2 H 1 3.2220 0.0000 . 1 . . . . A 13 ARG HD2 . 30516 1 106 . 1 1 13 13 ARG HD3 H 1 3.1490 0.0000 . 1 . . . . A 13 ARG HD3 . 30516 1 107 . 1 1 13 13 ARG HE H 1 7.1750 0.0000 . 1 . . . . A 13 ARG HE . 30516 1 108 . 1 1 13 13 ARG CA C 13 59.2450 0.0000 . 1 . . . . A 13 ARG CA . 30516 1 109 . 1 1 13 13 ARG CB C 13 29.5170 0.0000 . 1 . . . . A 13 ARG CB . 30516 1 110 . 1 1 13 13 ARG N N 15 119.3490 0.0000 . 1 . . . . A 13 ARG N . 30516 1 111 . 1 1 14 14 LYS H H 1 7.6910 0.0000 . 1 . . . . A 14 LYS H . 30516 1 112 . 1 1 14 14 LYS HA H 1 4.1900 0.0000 . 1 . . . . A 14 LYS HA . 30516 1 113 . 1 1 14 14 LYS HB2 H 1 2.0220 0.0000 . 1 . . . . A 14 LYS HB2 . 30516 1 114 . 1 1 14 14 LYS HG2 H 1 1.4870 0.0000 . 1 . . . . A 14 LYS HG2 . 30516 1 115 . 1 1 14 14 LYS HD2 H 1 1.7330 0.0000 . 1 . . . . A 14 LYS HD2 . 30516 1 116 . 1 1 14 14 LYS HE2 H 1 2.9680 0.0000 . 1 . . . . A 14 LYS HE2 . 30516 1 117 . 1 1 14 14 LYS CA C 13 57.7730 0.0000 . 1 . . . . A 14 LYS CA . 30516 1 118 . 1 1 14 14 LYS CB C 13 32.7640 0.0000 . 1 . . . . A 14 LYS CB . 30516 1 119 . 1 1 14 14 LYS N N 15 120.3370 0.0000 . 1 . . . . A 14 LYS N . 30516 1 120 . 1 1 15 15 ILE H H 1 8.1080 0.0000 . 1 . . . . A 15 ILE H . 30516 1 121 . 1 1 15 15 ILE HA H 1 3.7690 0.0000 . 1 . . . . A 15 ILE HA . 30516 1 122 . 1 1 15 15 ILE HB H 1 1.9920 0.0000 . 1 . . . . A 15 ILE HB . 30516 1 123 . 1 1 15 15 ILE HG12 H 1 0.9370 0.0000 . 1 . . . . A 15 ILE HG12 . 30516 1 124 . 1 1 15 15 ILE HG13 H 1 1.1160 0.0000 . 2 . . . . A 15 ILE HG13 . 30516 1 125 . 1 1 15 15 ILE HG21 H 1 0.9370 0.0000 . 1 . . . . A 15 ILE HG21 . 30516 1 126 . 1 1 15 15 ILE HG22 H 1 0.9370 0.0000 . 1 . . . . A 15 ILE HG22 . 30516 1 127 . 1 1 15 15 ILE HG23 H 1 0.9370 0.0000 . 1 . . . . A 15 ILE HG23 . 30516 1 128 . 1 1 15 15 ILE HD11 H 1 0.8460 0.0000 . 1 . . . . A 15 ILE HD11 . 30516 1 129 . 1 1 15 15 ILE HD12 H 1 0.8460 0.0000 . 1 . . . . A 15 ILE HD12 . 30516 1 130 . 1 1 15 15 ILE HD13 H 1 0.8460 0.0000 . 1 . . . . A 15 ILE HD13 . 30516 1 131 . 1 1 15 15 ILE CA C 13 64.8610 0.0000 . 1 . . . . A 15 ILE CA . 30516 1 132 . 1 1 15 15 ILE CB C 13 38.0070 0.0000 . 1 . . . . A 15 ILE CB . 30516 1 133 . 1 1 15 15 ILE N N 15 119.6960 0.0000 . 1 . . . . A 15 ILE N . 30516 1 134 . 1 1 16 16 ALA H H 1 8.1730 0.0000 . 1 . . . . A 16 ALA H . 30516 1 135 . 1 1 16 16 ALA HA H 1 4.0520 0.0000 . 1 . . . . A 16 ALA HA . 30516 1 136 . 1 1 16 16 ALA HB1 H 1 1.4780 0.0000 . 1 . . . . A 16 ALA HB1 . 30516 1 137 . 1 1 16 16 ALA HB2 H 1 1.4780 0.0000 . 1 . . . . A 16 ALA HB2 . 30516 1 138 . 1 1 16 16 ALA HB3 H 1 1.4780 0.0000 . 1 . . . . A 16 ALA HB3 . 30516 1 139 . 1 1 16 16 ALA CA C 13 54.5300 0.0000 . 1 . . . . A 16 ALA CA . 30516 1 140 . 1 1 16 16 ALA CB C 13 18.3980 0.0000 . 1 . . . . A 16 ALA CB . 30516 1 141 . 1 1 16 16 ALA N N 15 120.3040 0.0000 . 1 . . . . A 16 ALA N . 30516 1 142 . 1 1 17 17 ALA H H 1 7.3960 0.0000 . 1 . . . . A 17 ALA H . 30516 1 143 . 1 1 17 17 ALA HA H 1 4.2150 0.0000 . 1 . . . . A 17 ALA HA . 30516 1 144 . 1 1 17 17 ALA HB1 H 1 1.3900 0.0000 . 1 . . . . A 17 ALA HB1 . 30516 1 145 . 1 1 17 17 ALA HB2 H 1 1.3900 0.0000 . 1 . . . . A 17 ALA HB2 . 30516 1 146 . 1 1 17 17 ALA HB3 H 1 1.3900 0.0000 . 1 . . . . A 17 ALA HB3 . 30516 1 147 . 1 1 17 17 ALA CA C 13 53.1590 0.0000 . 1 . . . . A 17 ALA CA . 30516 1 148 . 1 1 17 17 ALA CB C 13 18.8120 0.0000 . 1 . . . . A 17 ALA CB . 30516 1 149 . 1 1 17 17 ALA N N 15 117.9010 0.0000 . 1 . . . . A 17 ALA N . 30516 1 150 . 1 1 18 18 PHE H H 1 7.8470 0.0000 . 1 . . . . A 18 PHE H . 30516 1 151 . 1 1 18 18 PHE HA H 1 4.5190 0.0000 . 1 . . . . A 18 PHE HA . 30516 1 152 . 1 1 18 18 PHE HB2 H 1 3.2560 0.0000 . 1 . . . . A 18 PHE HB2 . 30516 1 153 . 1 1 18 18 PHE HB3 H 1 3.1630 0.0000 . 1 . . . . A 18 PHE HB3 . 30516 1 154 . 1 1 18 18 PHE HD1 H 1 7.2840 0.0000 . 1 . . . . A 18 PHE HD1 . 30516 1 155 . 1 1 18 18 PHE HE1 H 1 7.3540 0.0000 . 1 . . . . A 18 PHE HE1 . 30516 1 156 . 1 1 18 18 PHE CA C 13 59.0590 0.0000 . 1 . . . . A 18 PHE CA . 30516 1 157 . 1 1 18 18 PHE CB C 13 39.8850 0.0000 . 1 . . . . A 18 PHE CB . 30516 1 158 . 1 1 18 18 PHE N N 15 119.0170 0.0000 . 1 . . . . A 18 PHE N . 30516 1 159 . 1 1 19 19 LYS HA H 1 4.2030 0.0000 . 1 . . . . A 19 LYS HA . 30516 1 160 . 1 1 19 19 LYS HB2 H 1 1.8940 0.0000 . 1 . . . . A 19 LYS HB2 . 30516 1 161 . 1 1 19 19 LYS HG2 H 1 1.4670 0.0000 . 1 . . . . A 19 LYS HG2 . 30516 1 162 . 1 1 19 19 LYS HD2 H 1 1.7480 0.0000 . 1 . . . . A 19 LYS HD2 . 30516 1 163 . 1 1 19 19 LYS HD3 H 1 1.7480 0.0000 . 1 . . . . A 19 LYS HD3 . 30516 1 164 . 1 1 19 19 LYS HE2 H 1 2.9840 0.0000 . 1 . . . . A 19 LYS HE2 . 30516 1 165 . 1 1 19 19 LYS CA C 13 55.9440 0.0000 . 1 . . . . A 19 LYS CA . 30516 1 166 . 1 1 19 19 LYS CB C 13 32.7390 0.0000 . 1 . . . . A 19 LYS CB . 30516 1 167 . 1 1 19 19 LYS CE C 13 42.1900 0.0000 . 1 . . . . A 19 LYS CE . 30516 1 168 . 1 1 19 19 LYS N N 15 121.2960 0.0000 . 1 . . . . A 19 LYS N . 30516 1 169 . 1 1 20 20 NH2 HN1 H 1 7.7130 0.0000 . 1 . . . . A 20 NH2 HN1 . 30516 1 stop_ save_