################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7001 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 7001 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 ACE H1 H 1 2.035 0.01 1 . . . . . 19 LYS HA# . 7001 1 2 . 1 1 1 1 ACE H2 H 1 2.035 0.01 1 . . . . . 19 LYS HA# . 7001 1 3 . 1 1 1 1 ACE H3 H 1 2.035 0.01 1 . . . . . 19 LYS HA# . 7001 1 4 . 1 1 2 2 LYS H H 1 8.416 0.01 1 . . . . . 19 LYS H . 7001 1 5 . 1 1 2 2 LYS HA H 1 4.249 0.01 1 . . . . . 19 LYS HA . 7001 1 6 . 1 1 2 2 LYS HB2 H 1 1.808 0.01 2 . . . . . 19 LYS QB . 7001 1 7 . 1 1 2 2 LYS HB3 H 1 1.808 0.01 2 . . . . . 19 LYS QB . 7001 1 8 . 1 1 2 2 LYS HG2 H 1 1.458 0.01 2 . . . . . 19 LYS QG . 7001 1 9 . 1 1 2 2 LYS HG3 H 1 1.458 0.01 2 . . . . . 19 LYS QG . 7001 1 10 . 1 1 2 2 LYS HD2 H 1 1.707 0.01 2 . . . . . 19 LYS QD . 7001 1 11 . 1 1 2 2 LYS HD3 H 1 1.707 0.01 2 . . . . . 19 LYS QD . 7001 1 12 . 1 1 2 2 LYS HE2 H 1 3.000 0.01 2 . . . . . 19 LYS HE# . 7001 1 13 . 1 1 2 2 LYS HE3 H 1 3.000 0.01 2 . . . . . 19 LYS HE# . 7001 1 14 . 1 1 3 3 ALA H H 1 8.522 0.01 1 . . . . . 20 ALA H . 7001 1 15 . 1 1 3 3 ALA HA H 1 4.287 0.01 1 . . . . . 20 ALA HA . 7001 1 16 . 1 1 3 3 ALA HB1 H 1 1.390 0.01 2 . . . . . 20 ALA QB . 7001 1 17 . 1 1 3 3 ALA HB2 H 1 1.390 0.01 2 . . . . . 20 ALA QB . 7001 1 18 . 1 1 3 3 ALA HB3 H 1 1.390 0.01 2 . . . . . 20 ALA QB . 7001 1 19 . 1 1 4 4 ALA H H 1 8.459 0.01 1 . . . . . 21 ALA H . 7001 1 20 . 1 1 4 4 ALA HA H 1 4.315 0.01 1 . . . . . 21 ALA HA . 7001 1 21 . 1 1 4 4 ALA HB1 H 1 1.386 0.01 2 . . . . . 21 ALA HB# . 7001 1 22 . 1 1 4 4 ALA HB2 H 1 1.386 0.01 2 . . . . . 21 ALA HB# . 7001 1 23 . 1 1 4 4 ALA HB3 H 1 1.386 0.01 2 . . . . . 21 ALA HB# . 7001 1 24 . 1 1 5 5 VAL H H 1 8.268 0.01 1 . . . . . 22 VAL H . 7001 1 25 . 1 1 5 5 VAL HA H 1 4.122 0.01 1 . . . . . 22 VAL HA . 7001 1 26 . 1 1 5 5 VAL HB H 1 2.049 0.01 1 . . . . . 22 VAL HB . 7001 1 27 . 1 1 5 5 VAL HG11 H 1 0.931 0.01 2 . . . . . 22 VAL HG1# . 7001 1 28 . 1 1 5 5 VAL HG12 H 1 0.931 0.01 2 . . . . . 22 VAL HG1# . 7001 1 29 . 1 1 5 5 VAL HG13 H 1 0.931 0.01 2 . . . . . 22 VAL HG1# . 7001 1 30 . 1 1 5 5 VAL HG21 H 1 0.892 0.01 2 . . . . . 22 VAL HG2# . 7001 1 31 . 1 1 5 5 VAL HG22 H 1 0.892 0.01 2 . . . . . 22 VAL HG2# . 7001 1 32 . 1 1 5 5 VAL HG23 H 1 0.892 0.01 2 . . . . . 22 VAL HG2# . 7001 1 33 . 1 1 6 6 SER H H 1 8.521 0.01 1 . . . . . 23 SER H . 7001 1 34 . 1 1 6 6 SER HA H 1 4.422 0.01 1 . . . . . 23 SER HA . 7001 1 35 . 1 1 6 6 SER HB2 H 1 3.795 0.01 2 . . . . . 23 SER HB1 . 7001 1 36 . 1 1 6 6 SER HB3 H 1 3.737 0.01 2 . . . . . 23 SER HB2 . 7001 1 37 . 1 1 7 7 HIS H H 1 8.582 0.01 1 . . . . . 24 HIS H . 7001 1 38 . 1 1 7 7 HIS HA H 1 4.626 0.01 1 . . . . . 24 HIS HA . 7001 1 39 . 1 1 7 7 HIS HB2 H 1 3.088 0.01 2 . . . . . 24 HIS HB# . 7001 1 40 . 1 1 7 7 HIS HB3 H 1 3.088 0.01 2 . . . . . 24 HIS HB# . 7001 1 41 . 1 1 7 7 HIS HD2 H 1 7.096 0.01 1 . . . . . 24 HIS HD2 . 7001 1 42 . 1 1 7 7 HIS HE1 H 1 8.155 0.01 1 . . . . . 24 HIS HE1 . 7001 1 43 . 1 1 8 8 TRP H H 1 8.151 0.01 1 . . . . . 25 TRP H . 7001 1 44 . 1 1 8 8 TRP HA H 1 4.567 0.01 1 . . . . . 25 TRP HA . 7001 1 45 . 1 1 8 8 TRP HB2 H 1 3.254 0.01 2 . . . . . 25 TRP HB# . 7001 1 46 . 1 1 8 8 TRP HB3 H 1 3.254 0.01 2 . . . . . 25 TRP HB# . 7001 1 47 . 1 1 8 8 TRP HD1 H 1 7.242 0.01 1 . . . . . 25 TRP HD1 . 7001 1 48 . 1 1 8 8 TRP HE1 H 1 10.243 0.01 1 . . . . . 25 TRP HE1 . 7001 1 49 . 1 1 8 8 TRP HE3 H 1 7.543 0.01 1 . . . . . 25 TRP HE3 . 7001 1 50 . 1 1 8 8 TRP HZ2 H 1 7.488 0.01 1 . . . . . 25 TRP HZ2 . 7001 1 51 . 1 1 8 8 TRP HZ3 H 1 7.151 0.01 1 . . . . . 25 TRP HZ3 . 7001 1 52 . 1 1 8 8 TRP HH2 H 1 7.251 0.01 1 . . . . . 25 TRP HH2 . 7001 1 53 . 1 1 9 9 GLN H H 1 8.141 0.01 1 . . . . . 26 GLN H . 7001 1 54 . 1 1 9 9 GLN HA H 1 4.111 0.01 1 . . . . . 26 GLN HA . 7001 1 55 . 1 1 9 9 GLN HB2 H 1 1.956 0.01 2 . . . . . 26 GLN HB1 . 7001 1 56 . 1 1 9 9 GLN HB3 H 1 1.787 0.01 2 . . . . . 26 GLN HB2 . 7001 1 57 . 1 1 9 9 GLN HG2 H 1 2.106 0.01 2 . . . . . 26 GLN HG# . 7001 1 58 . 1 1 9 9 GLN HG3 H 1 2.106 0.01 2 . . . . . 26 GLN HG# . 7001 1 59 . 1 1 9 9 GLN HE21 H 1 7.512 0.01 1 . . . . . 26 GLN HE21 . 7001 1 60 . 1 1 9 9 GLN HE22 H 1 6.933 0.01 1 . . . . . 26 GLN HE22 . 7001 1 61 . 1 1 10 10 GLN H H 1 8.259 0.01 1 . . . . . 27 GLN H . 7001 1 62 . 1 1 10 10 GLN HA H 1 4.123 0.01 1 . . . . . 27 GLN HA . 7001 1 63 . 1 1 10 10 GLN HB2 H 1 2.048 0.01 2 . . . . . 27 GLN HB1 . 7001 1 64 . 1 1 10 10 GLN HB3 H 1 1.986 0.01 2 . . . . . 27 GLN HB2 . 7001 1 65 . 1 1 10 10 GLN HG2 H 1 2.346 0.01 2 . . . . . 27 GLN HG# . 7001 1 66 . 1 1 10 10 GLN HG3 H 1 2.346 0.01 2 . . . . . 27 GLN HG# . 7001 1 67 . 1 1 10 10 GLN HE21 H 1 7.659 0.01 2 . . . . . 27 GLN HE21 . 7001 1 68 . 1 1 10 10 GLN HE22 H 1 7.012 0.01 2 . . . . . 27 GLN HE22 . 7001 1 69 . 1 1 11 11 GLN H H 1 8.526 0.01 1 . . . . . 28 GLN H . 7001 1 70 . 1 1 11 11 GLN HA H 1 4.286 0.01 1 . . . . . 28 GLN HA . 7001 1 71 . 1 1 11 11 GLN HB2 H 1 2.013 0.01 2 . . . . . 28 GLN HB1 . 7001 1 72 . 1 1 11 11 GLN HB3 H 1 1.963 0.01 2 . . . . . 28 GLN HB2 . 7001 1 73 . 1 1 11 11 GLN HG2 H 1 2.310 0.01 2 . . . . . 28 GLN HG# . 7001 1 74 . 1 1 11 11 GLN HG3 H 1 2.310 0.01 2 . . . . . 28 GLN HG# . 7001 1 75 . 1 1 11 11 GLN HE21 H 1 7.603 0.01 2 . . . . . 28 GLN HE21 . 7001 1 76 . 1 1 11 11 GLN HE22 H 1 6.960 0.01 2 . . . . . 28 GLN HE22 . 7001 1 77 . 1 1 12 12 SER H H 1 8.435 0.01 1 . . . . . 29 SER H . 7001 1 78 . 1 1 12 12 SER HA H 1 4.418 0.01 1 . . . . . 29 SER HA . 7001 1 79 . 1 1 12 12 SER HB2 H 1 3.803 0.01 2 . . . . . 29 SER HB# . 7001 1 80 . 1 1 12 12 SER HB3 H 1 3.803 0.01 2 . . . . . 29 SER HB# . 7001 1 81 . 1 1 13 13 TYR H H 1 8.300 0.01 1 . . . . . 30 TYR H . 7001 1 82 . 1 1 13 13 TYR HA H 1 4.566 0.01 1 . . . . . 30 TYR HA . 7001 1 83 . 1 1 13 13 TYR HB2 H 1 2.959 0.01 2 . . . . . 30 TYR HB1 . 7001 1 84 . 1 1 13 13 TYR HB3 H 1 3.042 0.01 2 . . . . . 30 TYR HB2 . 7001 1 85 . 1 1 13 13 TYR HD1 H 1 7.085 0.01 3 . . . . . 30 TYR HD# . 7001 1 86 . 1 1 13 13 TYR HD2 H 1 7.085 0.01 3 . . . . . 30 TYR HD# . 7001 1 87 . 1 1 13 13 TYR HE1 H 1 6.805 0.01 3 . . . . . 30 TYR HE# . 7001 1 88 . 1 1 13 13 TYR HE2 H 1 6.805 0.01 3 . . . . . 30 TYR HE# . 7001 1 89 . 1 1 14 14 LEU H H 1 8.207 0.01 1 . . . . . 31 LEU H . 7001 1 90 . 1 1 14 14 LEU HA H 1 4.324 0.01 1 . . . . . 31 LEU HA . 7001 1 91 . 1 1 14 14 LEU HB2 H 1 1.547 0.01 2 . . . . . 31 LEU HB# . 7001 1 92 . 1 1 14 14 LEU HB3 H 1 1.547 0.01 2 . . . . . 31 LEU HB# . 7001 1 93 . 1 1 14 14 LEU HG H 1 1.454 0.01 1 . . . . . 31 LEU HG . 7001 1 94 . 1 1 14 14 LEU HD11 H 1 0.891 0.01 2 . . . . . 31 LEU HD1# . 7001 1 95 . 1 1 14 14 LEU HD12 H 1 0.891 0.01 2 . . . . . 31 LEU HD1# . 7001 1 96 . 1 1 14 14 LEU HD13 H 1 0.891 0.01 2 . . . . . 31 LEU HD1# . 7001 1 97 . 1 1 14 14 LEU HD21 H 1 0.833 0.01 2 . . . . . 31 LEU HD2# . 7001 1 98 . 1 1 14 14 LEU HD22 H 1 0.833 0.01 2 . . . . . 31 LEU HD2# . 7001 1 99 . 1 1 14 14 LEU HD23 H 1 0.833 0.01 2 . . . . . 31 LEU HD2# . 7001 1 100 . 1 1 15 15 ASP H H 1 8.219 0.01 1 . . . . . 32 ASP H . 7001 1 101 . 1 1 15 15 ASP HA H 1 4.613 0.01 1 . . . . . 32 ASP HA . 7001 1 102 . 1 1 15 15 ASP HB2 H 1 2.749 0.01 2 . . . . . 32 ASP HB . 7001 1 103 . 1 1 15 15 ASP HB3 H 1 2.749 0.01 2 . . . . . 32 ASP HB . 7001 1 104 . 1 1 16 16 SEP H H 1 9.260 0.01 1 . . . . . 33 SEP H . 7001 1 105 . 1 1 16 16 SEP HA H 1 4.450 0.01 1 . . . . . 33 SEP HA . 7001 1 106 . 1 1 16 16 SEP HB2 H 1 4.181 0.01 2 . . . . . 33 SEP HB1 . 7001 1 107 . 1 1 16 16 SEP HB3 H 1 4.119 0.01 2 . . . . . 33 SEP HB2 . 7001 1 108 . 1 1 17 17 GLY H H 1 8.633 0.01 1 . . . . . 34 GLY H . 7001 1 109 . 1 1 17 17 GLY HA2 H 1 3.930 0.01 2 . . . . . 34 GLY HA# . 7001 1 110 . 1 1 17 17 GLY HA3 H 1 3.930 0.01 2 . . . . . 34 GLY HA# . 7001 1 111 . 1 1 18 18 ILE H H 1 8.068 0.01 1 . . . . . 35 ILE H . 7001 1 112 . 1 1 18 18 ILE HA H 1 4.044 0.01 1 . . . . . 35 ILE HA . 7001 1 113 . 1 1 18 18 ILE HB H 1 1.800 0.01 1 . . . . . 35 ILE HB . 7001 1 114 . 1 1 18 18 ILE HG12 H 1 1.438 0.01 2 . . . . . 35 ILE HG11 . 7001 1 115 . 1 1 18 18 ILE HG13 H 1 1.188 0.01 2 . . . . . 35 ILE HG12 . 7001 1 116 . 1 1 18 18 ILE HG21 H 1 0.824 0.01 2 . . . . . 35 ILE HG2# . 7001 1 117 . 1 1 18 18 ILE HG22 H 1 0.824 0.01 2 . . . . . 35 ILE HG2# . 7001 1 118 . 1 1 18 18 ILE HG23 H 1 0.824 0.01 2 . . . . . 35 ILE HG2# . 7001 1 119 . 1 1 18 18 ILE HD11 H 1 0.824 0.01 2 . . . . . 35 ILE HD1# . 7001 1 120 . 1 1 18 18 ILE HD12 H 1 0.824 0.01 2 . . . . . 35 ILE HD1# . 7001 1 121 . 1 1 18 18 ILE HD13 H 1 0.824 0.01 2 . . . . . 35 ILE HD1# . 7001 1 122 . 1 1 19 19 HIS H H 1 8.794 0.01 1 . . . . . 36 HIS H . 7001 1 123 . 1 1 19 19 HIS HA H 1 4.813 0.01 1 . . . . . 36 HIS HA . 7001 1 124 . 1 1 19 19 HIS HB2 H 1 3.160 0.01 2 . . . . . 36 HIS HB1 . 7001 1 125 . 1 1 19 19 HIS HB3 H 1 3.316 0.01 2 . . . . . 36 HIS HB2 . 7001 1 126 . 1 1 19 19 HIS HD2 H 1 7.228 0.01 1 . . . . . 36 HIS HD2 . 7001 1 127 . 1 1 19 19 HIS HE1 H 1 8.800 0.01 1 . . . . . 36 HIS HE1 . 7001 1 128 . 1 1 20 20 SEP H H 1 9.397 0.01 1 . . . . . 37 SEP H . 7001 1 129 . 1 1 20 20 SEP HA H 1 4.464 0.01 1 . . . . . 37 SEP HA . 7001 1 130 . 1 1 20 20 SEP HB2 H 1 4.103 0.01 2 . . . . . 37 SEP HB# . 7001 1 131 . 1 1 20 20 SEP HB3 H 1 4.103 0.01 2 . . . . . 37 SEP HB# . 7001 1 132 . 1 1 21 21 GLY H H 1 8.772 0.01 1 . . . . . 38 GLY H . 7001 1 133 . 1 1 21 21 GLY HA2 H 1 4.018 0.01 2 . . . . . 38 GLY HA# . 7001 1 134 . 1 1 21 21 GLY HA3 H 1 4.018 0.01 2 . . . . . 38 GLY HA# . 7001 1 135 . 1 1 22 22 ALA H H 1 8.289 0.01 1 . . . . . 39 ALA H . 7001 1 136 . 1 1 22 22 ALA HA H 1 4.417 0.01 1 . . . . . 39 ALA HA . 7001 1 137 . 1 1 22 22 ALA HB1 H 1 1.446 0.01 2 . . . . . 39 ALA HB# . 7001 1 138 . 1 1 22 22 ALA HB2 H 1 1.446 0.01 2 . . . . . 39 ALA HB# . 7001 1 139 . 1 1 22 22 ALA HB3 H 1 1.446 0.01 2 . . . . . 39 ALA HB# . 7001 1 140 . 1 1 23 23 THR H H 1 8.454 0.01 1 . . . . . 40 THR H . 7001 1 141 . 1 1 23 23 THR HA H 1 4.451 0.01 1 . . . . . 40 THR HA . 7001 1 142 . 1 1 23 23 THR HB H 1 4.269 0.01 1 . . . . . 40 THR HB . 7001 1 143 . 1 1 23 23 THR HG21 H 1 1.240 0.01 2 . . . . . 40 THR HG2# . 7001 1 144 . 1 1 23 23 THR HG22 H 1 1.240 0.01 2 . . . . . 40 THR HG2# . 7001 1 145 . 1 1 23 23 THR HG23 H 1 1.240 0.01 2 . . . . . 40 THR HG2# . 7001 1 146 . 1 1 24 24 THR H H 1 8.389 0.01 1 . . . . . 41 THR H . 7001 1 147 . 1 1 24 24 THR HA H 1 4.462 0.01 1 . . . . . 41 THR HA . 7001 1 148 . 1 1 24 24 THR HB H 1 4.262 0.01 1 . . . . . 41 THR HB . 7001 1 149 . 1 1 24 24 THR HG21 H 1 1.221 0.01 2 . . . . . 41 THR HG2# . 7001 1 150 . 1 1 24 24 THR HG22 H 1 1.221 0.01 2 . . . . . 41 THR HG2# . 7001 1 151 . 1 1 24 24 THR HG23 H 1 1.221 0.01 2 . . . . . 41 THR HG2# . 7001 1 152 . 1 1 25 25 THR H H 1 8.357 0.01 1 . . . . . 42 THR H . 7001 1 153 . 1 1 25 25 THR HA H 1 4.329 0.01 1 . . . . . 42 THR HA . 7001 1 154 . 1 1 25 25 THR HB H 1 4.174 0.01 1 . . . . . 42 THR HB . 7001 1 155 . 1 1 25 25 THR HG21 H 1 1.225 0.01 2 . . . . . 42 THR HG2# . 7001 1 156 . 1 1 25 25 THR HG22 H 1 1.225 0.01 2 . . . . . 42 THR HG2# . 7001 1 157 . 1 1 25 25 THR HG23 H 1 1.225 0.01 2 . . . . . 42 THR HG2# . 7001 1 158 . 1 1 26 26 ALA H H 1 8.568 0.01 1 . . . . . 43 ALA H . 7001 1 159 . 1 1 26 26 ALA HA H 1 4.608 0.01 1 . . . . . 43 ALA HA . 7001 1 160 . 1 1 26 26 ALA HB1 H 1 1.382 0.01 2 . . . . . 43 ALA HB# . 7001 1 161 . 1 1 26 26 ALA HB2 H 1 1.382 0.01 2 . . . . . 43 ALA HB# . 7001 1 162 . 1 1 26 26 ALA HB3 H 1 1.382 0.01 2 . . . . . 43 ALA HB# . 7001 1 163 . 1 1 27 27 PRO HA H 1 4.385 0.01 1 . . . . . 44 PRO HA . 7001 1 164 . 1 1 27 27 PRO HB2 H 1 2.324 0.01 2 . . . . . 44 PRO HB1 . 7001 1 165 . 1 1 27 27 PRO HB3 H 1 1.960 0.01 2 . . . . . 44 PRO HB2 . 7001 1 166 . 1 1 27 27 PRO HG2 H 1 2.065 0.01 2 . . . . . 44 PRO HG1 . 7001 1 167 . 1 1 27 27 PRO HG3 H 1 2.031 0.01 2 . . . . . 44 PRO HG2 . 7001 1 168 . 1 1 27 27 PRO HD2 H 1 3.821 0.01 2 . . . . . 44 PRO HD1 . 7001 1 169 . 1 1 27 27 PRO HD3 H 1 3.680 0.01 2 . . . . . 44 PRO HD2 . 7001 1 170 . 1 1 28 28 NH2 HN1 H 1 7.791 0.01 2 . . . . . 44 PRO H1 . 7001 1 171 . 1 1 28 28 NH2 HN2 H 1 7.147 0.01 2 . . . . . 44 PRO H2 . 7001 1 stop_ save_