################################### # 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 50979 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Helix19-6 _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 2 '2D 1H-1H TOCSY' . . . 50979 1 3 '2D DQF-COSY' . . . 50979 1 4 '2D 1H-1H NOESY' . . . 50979 1 5 '2D 1H-13C HSQC' . . . 50979 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 1 $software_1 . . 50979 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 LYS HA H 1 3.9942 0.0000 . 1 . . . . . 1 LYS HA . 50979 1 2 . 1 . 1 1 1 LYS HB2 H 1 1.8798 0.0000 . 2 . . . . . 1 LYS HB2 . 50979 1 3 . 1 . 1 1 1 LYS HG2 H 1 1.4352 0.0000 . 2 . . . . . 1 LYS HG2 . 50979 1 4 . 1 . 1 1 1 LYS HD2 H 1 1.7052 0.0000 . 2 . . . . . 1 LYS HD2 . 50979 1 5 . 1 . 1 1 1 LYS HE2 H 1 3.0019 0.0000 . 2 . . . . . 1 LYS HE2 . 50979 1 6 . 1 . 1 1 1 LYS CA C 13 55.7416 0.0000 . 1 . . . . . 1 LYS CA . 50979 1 7 . 1 . 1 1 1 LYS CB C 13 33.5949 0.0000 . 1 . . . . . 1 LYS CB . 50979 1 8 . 1 . 1 1 1 LYS CG C 13 24.1539 0.0000 . 1 . . . . . 1 LYS CG . 50979 1 9 . 1 . 1 1 1 LYS CD C 13 29.2800 0.0000 . 1 . . . . . 1 LYS CD . 50979 1 10 . 1 . 1 1 1 LYS CE C 13 42.0452 0.0000 . 1 . . . . . 1 LYS CE . 50979 1 11 . 1 . 1 2 2 ARG HA H 1 4.3903 0.0000 . 1 . . . . . 2 ARG HA . 50979 1 12 . 1 . 1 2 2 ARG HB2 H 1 1.7713 0.0000 . 2 . . . . . 2 ARG HB2 . 50979 1 13 . 1 . 1 2 2 ARG HG2 H 1 1.6462 0.0000 . 2 . . . . . 2 ARG HG2 . 50979 1 14 . 1 . 1 2 2 ARG HG3 H 1 1.5797 0.0000 . 2 . . . . . 2 ARG HG3 . 50979 1 15 . 1 . 1 2 2 ARG HD2 H 1 3.1903 0.0000 . 2 . . . . . 2 ARG HD2 . 50979 1 16 . 1 . 1 2 2 ARG CA C 13 56.2975 0.0000 . 1 . . . . . 2 ARG CA . 50979 1 17 . 1 . 1 2 2 ARG CB C 13 30.7417 0.0000 . 1 . . . . . 2 ARG CB . 50979 1 18 . 1 . 1 2 2 ARG CG C 13 27.1956 0.0000 . 1 . . . . . 2 ARG CG . 50979 1 19 . 1 . 1 2 2 ARG CD C 13 43.4256 0.0000 . 1 . . . . . 2 ARG CD . 50979 1 20 . 1 . 1 3 3 ILE H H 1 8.4914 0.0000 . 1 . . . . . 3 ILE H . 50979 1 21 . 1 . 1 3 3 ILE HA H 1 4.1848 0.0000 . 1 . . . . . 3 ILE HA . 50979 1 22 . 1 . 1 3 3 ILE HB H 1 1.8314 0.0000 . 1 . . . . . 3 ILE HB . 50979 1 23 . 1 . 1 3 3 ILE HG12 H 1 1.4932 0.0000 . 2 . . . . . 3 ILE HG12 . 50979 1 24 . 1 . 1 3 3 ILE HG13 H 1 1.1930 0.0000 . 2 . . . . . 3 ILE HG13 . 50979 1 25 . 1 . 1 3 3 ILE HG21 H 1 0.8718 0.0000 . 1 . . . . . 3 ILE HG21 . 50979 1 26 . 1 . 1 3 3 ILE HG22 H 1 0.8718 0.0000 . 1 . . . . . 3 ILE HG21 . 50979 1 27 . 1 . 1 3 3 ILE HG23 H 1 0.8718 0.0000 . 1 . . . . . 3 ILE HG21 . 50979 1 28 . 1 . 1 3 3 ILE HD11 H 1 0.8546 0.0000 . 1 . . . . . 3 ILE HD11 . 50979 1 29 . 1 . 1 3 3 ILE HD12 H 1 0.8546 0.0000 . 1 . . . . . 3 ILE HD11 . 50979 1 30 . 1 . 1 3 3 ILE HD13 H 1 0.8546 0.0000 . 1 . . . . . 3 ILE HD11 . 50979 1 31 . 1 . 1 3 3 ILE CA C 13 60.8942 0.0000 . 1 . . . . . 3 ILE CA . 50979 1 32 . 1 . 1 3 3 ILE CB C 13 38.7623 0.0000 . 1 . . . . . 3 ILE CB . 50979 1 33 . 1 . 1 3 3 ILE CG1 C 13 27.3631 0.0000 . 1 . . . . . 3 ILE CG1 . 50979 1 34 . 1 . 1 3 3 ILE CG2 C 13 17.5471 0.0000 . 1 . . . . . 3 ILE CG2 . 50979 1 35 . 1 . 1 3 3 ILE CD1 C 13 12.7456 0.0000 . 1 . . . . . 3 ILE CD1 . 50979 1 36 . 1 . 1 4 4 VAL H H 1 8.3480 0.0000 . 1 . . . . . 4 VAL H . 50979 1 37 . 1 . 1 4 4 VAL HA H 1 4.0894 0.0000 . 1 . . . . . 4 VAL HA . 50979 1 38 . 1 . 1 4 4 VAL HB H 1 2.0160 0.0000 . 1 . . . . . 4 VAL HB . 50979 1 39 . 1 . 1 4 4 VAL HG11 H 1 0.9233 0.0000 . 2 . . . . . 4 VAL HG11 . 50979 1 40 . 1 . 1 4 4 VAL HG12 H 1 0.9233 0.0000 . 2 . . . . . 4 VAL HG11 . 50979 1 41 . 1 . 1 4 4 VAL HG13 H 1 0.9233 0.0000 . 2 . . . . . 4 VAL HG11 . 50979 1 42 . 1 . 1 4 4 VAL HG21 H 1 0.9009 0.0000 . 2 . . . . . 4 VAL HG21 . 50979 1 43 . 1 . 1 4 4 VAL HG22 H 1 0.9009 0.0000 . 2 . . . . . 4 VAL HG21 . 50979 1 44 . 1 . 1 4 4 VAL HG23 H 1 0.9009 0.0000 . 2 . . . . . 4 VAL HG21 . 50979 1 45 . 1 . 1 4 4 VAL CA C 13 62.3160 0.0000 . 1 . . . . . 4 VAL CA . 50979 1 46 . 1 . 1 4 4 VAL CB C 13 32.8110 0.0000 . 1 . . . . . 4 VAL CB . 50979 1 47 . 1 . 1 4 4 VAL CG1 C 13 20.7088 0.0000 . 2 . . . . . 4 VAL CG1 . 50979 1 48 . 1 . 1 4 4 VAL CG2 C 13 20.9708 0.0000 . 2 . . . . . 4 VAL CG2 . 50979 1 49 . 1 . 1 5 5 GLN H H 1 8.5162 0.0000 . 1 . . . . . 5 GLN H . 50979 1 50 . 1 . 1 5 5 GLN HA H 1 4.3261 0.0000 . 1 . . . . . 5 GLN HA . 50979 1 51 . 1 . 1 5 5 GLN HB2 H 1 2.0451 0.0000 . 2 . . . . . 5 GLN HB2 . 50979 1 52 . 1 . 1 5 5 GLN HB3 H 1 1.9617 0.0000 . 2 . . . . . 5 GLN HB3 . 50979 1 53 . 1 . 1 5 5 GLN HG2 H 1 2.3399 0.0000 . 2 . . . . . 5 GLN HG2 . 50979 1 54 . 1 . 1 5 5 GLN HE21 H 1 7.5478 0.0000 . 2 . . . . . 5 GLN HE21 . 50979 1 55 . 1 . 1 5 5 GLN HE22 H 1 6.8874 0.0000 . 2 . . . . . 5 GLN HE22 . 50979 1 56 . 1 . 1 5 5 GLN CA C 13 55.7849 0.0000 . 1 . . . . . 5 GLN CA . 50979 1 57 . 1 . 1 5 5 GLN CB C 13 29.6990 0.0000 . 1 . . . . . 5 GLN CB . 50979 1 58 . 1 . 1 5 5 GLN CG C 13 33.7846 0.0000 . 1 . . . . . 5 GLN CG . 50979 1 59 . 1 . 1 6 6 ARG H H 1 8.5228 0.0000 . 1 . . . . . 6 ARG H . 50979 1 60 . 1 . 1 6 6 ARG HA H 1 4.3424 0.0000 . 1 . . . . . 6 ARG HA . 50979 1 61 . 1 . 1 6 6 ARG HB2 H 1 1.8106 0.0000 . 2 . . . . . 6 ARG HB2 . 50979 1 62 . 1 . 1 6 6 ARG HB3 H 1 1.7437 0.0000 . 2 . . . . . 6 ARG HB3 . 50979 1 63 . 1 . 1 6 6 ARG HG2 H 1 1.6041 0.0000 . 2 . . . . . 6 ARG HG2 . 50979 1 64 . 1 . 1 6 6 ARG HD2 H 1 3.1602 0.0000 . 2 . . . . . 6 ARG HD2 . 50979 1 65 . 1 . 1 6 6 ARG CA C 13 56.1312 0.0000 . 1 . . . . . 6 ARG CA . 50979 1 66 . 1 . 1 6 6 ARG CB C 13 30.7657 0.0000 . 1 . . . . . 6 ARG CB . 50979 1 67 . 1 . 1 6 6 ARG CG C 13 27.3116 0.0000 . 1 . . . . . 6 ARG CG . 50979 1 68 . 1 . 1 6 6 ARG CD C 13 43.3943 0.0000 . 1 . . . . . 6 ARG CD . 50979 1 69 . 1 . 1 7 7 ILE H H 1 8.2204 0.0000 . 1 . . . . . 7 ILE H . 50979 1 70 . 1 . 1 7 7 ILE HA H 1 4.1199 0.0000 . 1 . . . . . 7 ILE HA . 50979 1 71 . 1 . 1 7 7 ILE HB H 1 1.8648 0.0000 . 1 . . . . . 7 ILE HB . 50979 1 72 . 1 . 1 7 7 ILE HG12 H 1 1.4725 0.0000 . 2 . . . . . 7 ILE HG12 . 50979 1 73 . 1 . 1 7 7 ILE HG13 H 1 1.2016 0.0000 . 2 . . . . . 7 ILE HG13 . 50979 1 74 . 1 . 1 7 7 ILE HG21 H 1 0.9113 0.0000 . 1 . . . . . 7 ILE HG21 . 50979 1 75 . 1 . 1 7 7 ILE HG22 H 1 0.9113 0.0000 . 1 . . . . . 7 ILE HG21 . 50979 1 76 . 1 . 1 7 7 ILE HG23 H 1 0.9113 0.0000 . 1 . . . . . 7 ILE HG21 . 50979 1 77 . 1 . 1 7 7 ILE HD11 H 1 0.8584 0.0000 . 1 . . . . . 7 ILE HD11 . 50979 1 78 . 1 . 1 7 7 ILE HD12 H 1 0.8584 0.0000 . 1 . . . . . 7 ILE HD11 . 50979 1 79 . 1 . 1 7 7 ILE HD13 H 1 0.8584 0.0000 . 1 . . . . . 7 ILE HD11 . 50979 1 80 . 1 . 1 7 7 ILE CA C 13 61.4548 0.0000 . 1 . . . . . 7 ILE CA . 50979 1 81 . 1 . 1 7 7 ILE CB C 13 38.7434 0.0000 . 1 . . . . . 7 ILE CB . 50979 1 82 . 1 . 1 7 7 ILE CG1 C 13 27.3557 0.0000 . 1 . . . . . 7 ILE CG1 . 50979 1 83 . 1 . 1 7 7 ILE CG2 C 13 17.6247 0.0000 . 1 . . . . . 7 ILE CG2 . 50979 1 84 . 1 . 1 7 7 ILE CD1 C 13 12.7451 0.0000 . 1 . . . . . 7 ILE CD1 . 50979 1 85 . 1 . 1 8 8 LYS H H 1 8.3669 0.0000 . 1 . . . . . 8 LYS H . 50979 1 86 . 1 . 1 8 8 LYS HA H 1 4.1827 0.0000 . 1 . . . . . 8 LYS HA . 50979 1 87 . 1 . 1 8 8 LYS HB2 H 1 1.7282 0.0000 . 2 . . . . . 8 LYS HB2 . 50979 1 88 . 1 . 1 8 8 LYS HG2 H 1 1.4148 0.0000 . 2 . . . . . 8 LYS HG2 . 50979 1 89 . 1 . 1 8 8 LYS HG3 H 1 1.3607 0.0000 . 2 . . . . . 8 LYS HG3 . 50979 1 90 . 1 . 1 8 8 LYS HD2 H 1 1.6664 0.0000 . 2 . . . . . 8 LYS HD2 . 50979 1 91 . 1 . 1 8 8 LYS HE2 H 1 2.9705 0.0000 . 2 . . . . . 8 LYS HE2 . 50979 1 92 . 1 . 1 8 8 LYS CA C 13 56.8610 0.0000 . 1 . . . . . 8 LYS CA . 50979 1 93 . 1 . 1 8 8 LYS CB C 13 32.9518 0.0000 . 1 . . . . . 8 LYS CB . 50979 1 94 . 1 . 1 8 8 LYS CG C 13 24.6981 0.0000 . 1 . . . . . 8 LYS CG . 50979 1 95 . 1 . 1 8 8 LYS CD C 13 29.3060 0.0000 . 1 . . . . . 8 LYS CD . 50979 1 96 . 1 . 1 8 8 LYS CE C 13 42.1664 0.0000 . 1 . . . . . 8 LYS CE . 50979 1 97 . 1 . 1 9 9 ASP H H 1 8.1989 0.0000 . 1 . . . . . 9 ASP H . 50979 1 98 . 1 . 1 9 9 ASP HA H 1 4.5271 0.0000 . 1 . . . . . 9 ASP HA . 50979 1 99 . 1 . 1 9 9 ASP HB2 H 1 2.6603 0.0000 . 2 . . . . . 9 ASP HB2 . 50979 1 100 . 1 . 1 9 9 ASP HB3 H 1 2.5861 0.0000 . 2 . . . . . 9 ASP HB3 . 50979 1 101 . 1 . 1 9 9 ASP CA C 13 54.6249 0.0000 . 1 . . . . . 9 ASP CA . 50979 1 102 . 1 . 1 9 9 ASP CB C 13 41.1648 0.0000 . 1 . . . . . 9 ASP CB . 50979 1 103 . 1 . 1 10 10 PHE H H 1 8.0916 0.0000 . 1 . . . . . 10 PHE H . 50979 1 104 . 1 . 1 10 10 PHE HA H 1 4.4836 0.0000 . 1 . . . . . 10 PHE HA . 50979 1 105 . 1 . 1 10 10 PHE HB2 H 1 3.1520 0.0000 . 2 . . . . . 10 PHE HB2 . 50979 1 106 . 1 . 1 10 10 PHE HB3 H 1 3.0940 0.0000 . 2 . . . . . 10 PHE HB3 . 50979 1 107 . 1 . 1 10 10 PHE HD1 H 1 7.2338 0.0000 . 3 . . . . . 10 PHE HD1 . 50979 1 108 . 1 . 1 10 10 PHE HE1 H 1 7.3341 0.0000 . 3 . . . . . 10 PHE HE1 . 50979 1 109 . 1 . 1 10 10 PHE HZ H 1 7.2784 0.0000 . 1 . . . . . 10 PHE HZ . 50979 1 110 . 1 . 1 10 10 PHE CA C 13 58.1834 0.0000 . 1 . . . . . 10 PHE CA . 50979 1 111 . 1 . 1 10 10 PHE CB C 13 39.3858 0.0000 . 1 . . . . . 10 PHE CB . 50979 1 112 . 1 . 1 10 10 PHE CD1 C 13 131.9164 0.0000 . 3 . . . . . 10 PHE CD1 . 50979 1 113 . 1 . 1 10 10 PHE CE1 C 13 131.5533 0.0000 . 3 . . . . . 10 PHE CE1 . 50979 1 114 . 1 . 1 10 10 PHE CZ C 13 130.0244 0.0000 . 1 . . . . . 10 PHE CZ . 50979 1 115 . 1 . 1 11 11 LEU H H 1 8.1096 0.0000 . 1 . . . . . 11 LEU H . 50979 1 116 . 1 . 1 11 11 LEU HA H 1 4.2236 0.0000 . 1 . . . . . 11 LEU HA . 50979 1 117 . 1 . 1 11 11 LEU HB2 H 1 1.6599 0.0000 . 2 . . . . . 11 LEU HB2 . 50979 1 118 . 1 . 1 11 11 LEU HG H 1 1.5414 0.0000 . 1 . . . . . 11 LEU HG . 50979 1 119 . 1 . 1 11 11 LEU HD11 H 1 0.9122 0.0000 . 2 . . . . . 11 LEU HD11 . 50979 1 120 . 1 . 1 11 11 LEU HD12 H 1 0.9122 0.0000 . 2 . . . . . 11 LEU HD11 . 50979 1 121 . 1 . 1 11 11 LEU HD13 H 1 0.9122 0.0000 . 2 . . . . . 11 LEU HD11 . 50979 1 122 . 1 . 1 11 11 LEU HD21 H 1 0.8661 0.0000 . 2 . . . . . 11 LEU HD21 . 50979 1 123 . 1 . 1 11 11 LEU HD22 H 1 0.8661 0.0000 . 2 . . . . . 11 LEU HD21 . 50979 1 124 . 1 . 1 11 11 LEU HD23 H 1 0.8661 0.0000 . 2 . . . . . 11 LEU HD21 . 50979 1 125 . 1 . 1 11 11 LEU CA C 13 55.7849 0.0000 . 1 . . . . . 11 LEU CA . 50979 1 126 . 1 . 1 11 11 LEU CB C 13 42.1586 0.0000 . 1 . . . . . 11 LEU CB . 50979 1 127 . 1 . 1 11 11 LEU CG C 13 26.8786 0.0000 . 1 . . . . . 11 LEU CG . 50979 1 128 . 1 . 1 11 11 LEU CD1 C 13 25.0691 0.0000 . 2 . . . . . 11 LEU CD1 . 50979 1 129 . 1 . 1 11 11 LEU CD2 C 13 23.3820 0.0000 . 2 . . . . . 11 LEU CD2 . 50979 1 130 . 1 . 1 12 12 ARG H H 1 8.0267 0.0000 . 1 . . . . . 12 ARG H . 50979 1 131 . 1 . 1 12 12 ARG HA H 1 4.1757 0.0000 . 1 . . . . . 12 ARG HA . 50979 1 132 . 1 . 1 12 12 ARG HB2 H 1 1.7662 0.0000 . 2 . . . . . 12 ARG HB2 . 50979 1 133 . 1 . 1 12 12 ARG HG2 H 1 1.6037 0.0000 . 2 . . . . . 12 ARG HG2 . 50979 1 134 . 1 . 1 12 12 ARG HG3 H 1 1.5448 0.0000 . 2 . . . . . 12 ARG HG3 . 50979 1 135 . 1 . 1 12 12 ARG HD2 H 1 3.1574 0.0000 . 2 . . . . . 12 ARG HD2 . 50979 1 136 . 1 . 1 12 12 ARG HE H 1 7.2016 0.0000 . 1 . . . . . 12 ARG HE . 50979 1 137 . 1 . 1 12 12 ARG CA C 13 56.8939 0.0000 . 1 . . . . . 12 ARG CA . 50979 1 138 . 1 . 1 12 12 ARG CB C 13 30.7373 0.0000 . 1 . . . . . 12 ARG CB . 50979 1 139 . 1 . 1 12 12 ARG CG C 13 27.2548 0.0000 . 1 . . . . . 12 ARG CG . 50979 1 140 . 1 . 1 12 12 ARG CD C 13 43.3775 0.0000 . 1 . . . . . 12 ARG CD . 50979 1 141 . 1 . 1 13 13 LYS H H 1 8.1110 0.0000 . 1 . . . . . 13 LYS H . 50979 1 142 . 1 . 1 13 13 LYS HA H 1 4.1663 0.0000 . 1 . . . . . 13 LYS HA . 50979 1 143 . 1 . 1 13 13 LYS HB2 H 1 1.6453 0.0000 . 2 . . . . . 13 LYS HB2 . 50979 1 144 . 1 . 1 13 13 LYS HG2 H 1 1.2933 0.0000 . 2 . . . . . 13 LYS HG2 . 50979 1 145 . 1 . 1 13 13 LYS HG3 H 1 1.1952 0.0000 . 2 . . . . . 13 LYS HG3 . 50979 1 146 . 1 . 1 13 13 LYS HD2 H 1 1.5922 0.0000 . 2 . . . . . 13 LYS HD2 . 50979 1 147 . 1 . 1 13 13 LYS HE2 H 1 2.9175 0.0000 . 2 . . . . . 13 LYS HE2 . 50979 1 148 . 1 . 1 13 13 LYS CA C 13 56.8744 0.0000 . 1 . . . . . 13 LYS CA . 50979 1 149 . 1 . 1 13 13 LYS CB C 13 32.8382 0.0000 . 1 . . . . . 13 LYS CB . 50979 1 150 . 1 . 1 13 13 LYS CG C 13 24.8077 0.0000 . 1 . . . . . 13 LYS CG . 50979 1 151 . 1 . 1 13 13 LYS CD C 13 29.1573 0.0000 . 1 . . . . . 13 LYS CD . 50979 1 152 . 1 . 1 13 13 LYS CE C 13 42.1561 0.0000 . 1 . . . . . 13 LYS CE . 50979 1 153 . 1 . 1 14 14 TYR H H 1 8.0948 0.0000 . 1 . . . . . 14 TYR H . 50979 1 154 . 1 . 1 14 14 TYR HA H 1 4.5083 0.0000 . 1 . . . . . 14 TYR HA . 50979 1 155 . 1 . 1 14 14 TYR HB2 H 1 3.0558 0.0000 . 2 . . . . . 14 TYR HB2 . 50979 1 156 . 1 . 1 14 14 TYR HB3 H 1 2.8460 0.0000 . 2 . . . . . 14 TYR HB3 . 50979 1 157 . 1 . 1 14 14 TYR HD1 H 1 7.0740 0.0000 . 3 . . . . . 14 TYR HD1 . 50979 1 158 . 1 . 1 14 14 TYR HE1 H 1 6.8050 0.0000 . 3 . . . . . 14 TYR HE1 . 50979 1 159 . 1 . 1 14 14 TYR CA C 13 57.7604 0.0000 . 1 . . . . . 14 TYR CA . 50979 1 160 . 1 . 1 14 14 TYR CB C 13 38.7696 0.0000 . 1 . . . . . 14 TYR CB . 50979 1 161 . 1 . 1 14 14 TYR CD1 C 13 133.2238 0.0000 . 3 . . . . . 14 TYR CD1 . 50979 1 162 . 1 . 1 14 14 TYR CE1 C 13 118.1775 0.0000 . 3 . . . . . 14 TYR CE1 . 50979 1 163 . 1 . 1 15 15 ALA H H 1 8.0800 0.0000 . 1 . . . . . 15 ALA H . 50979 1 164 . 1 . 1 15 15 ALA HA H 1 4.1346 0.0000 . 1 . . . . . 15 ALA HA . 50979 1 165 . 1 . 1 15 15 ALA HB1 H 1 1.2876 0.0000 . 1 . . . . . 15 ALA HB1 . 50979 1 166 . 1 . 1 15 15 ALA HB2 H 1 1.2876 0.0000 . 1 . . . . . 15 ALA HB1 . 50979 1 167 . 1 . 1 15 15 ALA HB3 H 1 1.2876 0.0000 . 1 . . . . . 15 ALA HB1 . 50979 1 168 . 1 . 1 15 15 ALA CA C 13 53.0085 0.0000 . 1 . . . . . 15 ALA CA . 50979 1 169 . 1 . 1 15 15 ALA CB C 13 18.9762 0.0000 . 1 . . . . . 15 ALA CB . 50979 1 170 . 1 . 1 16 16 GLN H H 1 8.1856 0.0000 . 1 . . . . . 16 GLN H . 50979 1 171 . 1 . 1 16 16 GLN HA H 1 4.1798 0.0000 . 1 . . . . . 16 GLN HA . 50979 1 172 . 1 . 1 16 16 GLN HB2 H 1 1.9808 0.0000 . 2 . . . . . 16 GLN HB2 . 50979 1 173 . 1 . 1 16 16 GLN HG2 H 1 2.2596 0.0000 . 2 . . . . . 16 GLN HG2 . 50979 1 174 . 1 . 1 16 16 GLN HE21 H 1 7.4672 0.0000 . 2 . . . . . 16 GLN HE21 . 50979 1 175 . 1 . 1 16 16 GLN HE22 H 1 6.8530 0.0000 . 2 . . . . . 16 GLN HE22 . 50979 1 176 . 1 . 1 16 16 GLN CA C 13 56.8887 0.0000 . 1 . . . . . 16 GLN CA . 50979 1 177 . 1 . 1 16 16 GLN CB C 13 29.2043 0.0000 . 1 . . . . . 16 GLN CB . 50979 1 178 . 1 . 1 16 16 GLN CG C 13 33.8603 0.0000 . 1 . . . . . 16 GLN CG . 50979 1 179 . 1 . 1 17 17 TRP H H 1 8.0466 0.0000 . 1 . . . . . 17 TRP H . 50979 1 180 . 1 . 1 17 17 TRP HA H 1 4.6043 0.0000 . 1 . . . . . 17 TRP HA . 50979 1 181 . 1 . 1 17 17 TRP HB2 H 1 3.3327 0.0000 . 2 . . . . . 17 TRP HB2 . 50979 1 182 . 1 . 1 17 17 TRP HB3 H 1 3.2593 0.0000 . 2 . . . . . 17 TRP HB3 . 50979 1 183 . 1 . 1 17 17 TRP HD1 H 1 7.2309 0.0000 . 1 . . . . . 17 TRP HD1 . 50979 1 184 . 1 . 1 17 17 TRP HE1 H 1 10.1698 0.0000 . 1 . . . . . 17 TRP HE1 . 50979 1 185 . 1 . 1 17 17 TRP HE3 H 1 7.5641 0.0000 . 1 . . . . . 17 TRP HE3 . 50979 1 186 . 1 . 1 17 17 TRP HZ2 H 1 7.4792 0.0000 . 1 . . . . . 17 TRP HZ2 . 50979 1 187 . 1 . 1 17 17 TRP HZ3 H 1 7.1392 0.0000 . 1 . . . . . 17 TRP HZ3 . 50979 1 188 . 1 . 1 17 17 TRP HH2 H 1 7.2350 0.0000 . 1 . . . . . 17 TRP HH2 . 50979 1 189 . 1 . 1 17 17 TRP CA C 13 57.5052 0.0000 . 1 . . . . . 17 TRP CA . 50979 1 190 . 1 . 1 17 17 TRP CB C 13 29.1518 0.0000 . 1 . . . . . 17 TRP CB . 50979 1 191 . 1 . 1 17 17 TRP CD1 C 13 127.1044 0.0000 . 1 . . . . . 17 TRP CD1 . 50979 1 192 . 1 . 1 17 17 TRP CE3 C 13 120.8067 0.0000 . 1 . . . . . 17 TRP CE3 . 50979 1 193 . 1 . 1 17 17 TRP CZ2 C 13 114.6495 0.0000 . 1 . . . . . 17 TRP CZ2 . 50979 1 194 . 1 . 1 17 17 TRP CZ3 C 13 122.1784 0.0000 . 1 . . . . . 17 TRP CZ3 . 50979 1 195 . 1 . 1 17 17 TRP CH2 C 13 124.6891 0.0000 . 1 . . . . . 17 TRP CH2 . 50979 1 196 . 1 . 1 18 18 LEU H H 1 7.8885 0.0000 . 1 . . . . . 18 LEU H . 50979 1 197 . 1 . 1 18 18 LEU HA H 1 4.1330 0.0000 . 1 . . . . . 18 LEU HA . 50979 1 198 . 1 . 1 18 18 LEU HB2 H 1 1.4794 0.0000 . 2 . . . . . 18 LEU HB2 . 50979 1 199 . 1 . 1 18 18 LEU HG H 1 1.3966 0.0000 . 1 . . . . . 18 LEU HG . 50979 1 200 . 1 . 1 18 18 LEU HD11 H 1 0.8356 0.0000 . 2 . . . . . 18 LEU HD11 . 50979 1 201 . 1 . 1 18 18 LEU HD12 H 1 0.8356 0.0000 . 2 . . . . . 18 LEU HD11 . 50979 1 202 . 1 . 1 18 18 LEU HD13 H 1 0.8356 0.0000 . 2 . . . . . 18 LEU HD11 . 50979 1 203 . 1 . 1 18 18 LEU HD21 H 1 0.7985 0.0000 . 2 . . . . . 18 LEU HD21 . 50979 1 204 . 1 . 1 18 18 LEU HD22 H 1 0.7985 0.0000 . 2 . . . . . 18 LEU HD21 . 50979 1 205 . 1 . 1 18 18 LEU HD23 H 1 0.7985 0.0000 . 2 . . . . . 18 LEU HD21 . 50979 1 206 . 1 . 1 18 18 LEU CA C 13 55.0729 0.0000 . 1 . . . . . 18 LEU CA . 50979 1 207 . 1 . 1 18 18 LEU CB C 13 42.6075 0.0000 . 1 . . . . . 18 LEU CB . 50979 1 208 . 1 . 1 18 18 LEU CG C 13 26.7453 0.0000 . 1 . . . . . 18 LEU CG . 50979 1 209 . 1 . 1 18 18 LEU CD1 C 13 25.0382 0.0000 . 2 . . . . . 18 LEU CD1 . 50979 1 210 . 1 . 1 18 18 LEU CD2 C 13 23.5165 0.0000 . 2 . . . . . 18 LEU CD2 . 50979 1 211 . 1 . 1 19 19 ALA H H 1 7.8430 0.0000 . 1 . . . . . 19 ALA H . 50979 1 212 . 1 . 1 19 19 ALA HA H 1 4.1090 0.0000 . 1 . . . . . 19 ALA HA . 50979 1 213 . 1 . 1 19 19 ALA HB1 H 1 1.3586 0.0000 . 1 . . . . . 19 ALA HB1 . 50979 1 214 . 1 . 1 19 19 ALA HB2 H 1 1.3586 0.0000 . 1 . . . . . 19 ALA HB1 . 50979 1 215 . 1 . 1 19 19 ALA HB3 H 1 1.3586 0.0000 . 1 . . . . . 19 ALA HB1 . 50979 1 216 . 1 . 1 19 19 ALA CA C 13 52.5283 0.0000 . 1 . . . . . 19 ALA CA . 50979 1 217 . 1 . 1 19 19 ALA CB C 13 19.3285 0.0000 . 1 . . . . . 19 ALA CB . 50979 1 218 . 1 . 1 20 20 NH2 HN1 H 1 6.9942 0.0000 . 2 . . . . . 20 NH2 HN1 . 50979 1 219 . 1 . 1 20 20 NH2 HN2 H 1 7.3095 0.0000 . 2 . . . . . 20 NH2 HN2 . 50979 1 stop_ save_