################################### # 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 53041 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chemical_shift_list_FtsA_406-417 _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-13C HSQC' . . . 53041 1 3 '2D 1H-1H TOCSY' . . . 53041 1 4 '2D 1H-1H ROESY' . . . 53041 1 5 '2D 1H-15N HMQC' . . . 53041 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 . . 53041 1 2 $software_2 . . 53041 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 GLY H H 1 8.101855948 0.003903833025 . . . . . . . 1 GLY H . 53041 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.832592702 0.02111184431 . . . . . . . 1 GLY HA2 . 53041 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.792406748 0.01541681887 . . . . . . . 1 GLY HA3 . 53041 1 4 . 1 . 1 1 1 GLY CA C 13 45.46498108 0 . . . . . . . 1 GLY CA . 53041 1 5 . 1 . 1 1 1 GLY N N 15 115.1004243 . . . . . . . . 1 GLY N . 53041 1 6 . 1 . 1 2 2 SER H H 1 8.269527459 0.001965026732 . . . . . . . 2 SER H . 53041 1 7 . 1 . 1 2 2 SER HB2 H 1 3.791787863 0.00009417 . . . . . . . 2 SER HB2 . 53041 1 8 . 1 . 1 2 2 SER HB3 H 1 3.757482052 0.0001578330994 . . . . . . . 2 SER HB3 . 53041 1 9 . 1 . 1 2 2 SER CA C 13 58.87740294 . . . . . . . . 2 SER CA . 53041 1 10 . 1 . 1 2 2 SER CB C 13 63.80082703 . . . . . . . . 2 SER CB . 53041 1 11 . 1 . 1 2 2 SER N N 15 116.7393574 . . . . . . . . 2 SER N . 53041 1 12 . 1 . 1 3 3 TRP H H 1 8.078343871 0.003730898643 . . . . . . . 3 TRP H . 53041 1 13 . 1 . 1 3 3 TRP HA H 1 4.629733757 0.003093709457 . . . . . . . 3 TRP HA . 53041 1 14 . 1 . 1 3 3 TRP HB2 H 1 3.296910606 0.01208251082 . . . . . . . 3 TRP HB2 . 53041 1 15 . 1 . 1 3 3 TRP HB3 H 1 3.262064731 0.009447185647 . . . . . . . 3 TRP HB3 . 53041 1 16 . 1 . 1 3 3 TRP HD1 H 1 7.230029316 0.0099657606 . . . . . . . 3 TRP HD1 . 53041 1 17 . 1 . 1 3 3 TRP HE1 H 1 10.18176669 0.002583843185 . . . . . . . 3 TRP HE1 . 53041 1 18 . 1 . 1 3 3 TRP HE3 H 1 7.578807841 0.03509870621 . . . . . . . 3 TRP HE3 . 53041 1 19 . 1 . 1 3 3 TRP HZ2 H 1 7.508504279 0.01001407987 . . . . . . . 3 TRP HZ2 . 53041 1 20 . 1 . 1 3 3 TRP HZ3 H 1 6.865870825 0.001181954431 . . . . . . . 3 TRP HZ3 . 53041 1 21 . 1 . 1 3 3 TRP HH2 H 1 7.168080306 0.01043414255 . . . . . . . 3 TRP HH2 . 53041 1 22 . 1 . 1 3 3 TRP CA C 13 57.87420827 . . . . . . . . 3 TRP CA . 53041 1 23 . 1 . 1 3 3 TRP CB C 13 29.40516692 0.005869206853 . . . . . . . 3 TRP CB . 53041 1 24 . 1 . 1 3 3 TRP CD1 C 13 125.0161013 . . . . . . . . 3 TRP CD1 . 53041 1 25 . 1 . 1 3 3 TRP CD2 C 13 127.3541394 . . . . . . . . 3 TRP CD2 . 53041 1 26 . 1 . 1 3 3 TRP CE3 C 13 121.0963135 . . . . . . . . 3 TRP CE3 . 53041 1 27 . 1 . 1 3 3 TRP CZ2 C 13 114.9236842 . . . . . . . . 3 TRP CZ2 . 53041 1 28 . 1 . 1 3 3 TRP CH2 C 13 122.4114496 . . . . . . . . 3 TRP CH2 . 53041 1 29 . 1 . 1 3 3 TRP N N 15 123.8003507 . . . . . . . . 3 TRP N . 53041 1 30 . 1 . 1 3 3 TRP NE1 N 15 130.8099803 . . . . . . . . 3 TRP NE1 . 53041 1 31 . 1 . 1 4 4 ILE H H 1 7.664521955 0.001305617288 . . . . . . . 4 ILE H . 53041 1 32 . 1 . 1 4 4 ILE HA H 1 3.9599224 0.003814663008 . . . . . . . 4 ILE HA . 53041 1 33 . 1 . 1 4 4 ILE HB H 1 1.686705147 0.006405849462 . . . . . . . 4 ILE HB . 53041 1 34 . 1 . 1 4 4 ILE HG12 H 1 1.192611409 0.1352154864 . . . . . . . 4 ILE HG12 . 53041 1 35 . 1 . 1 4 4 ILE HG13 H 1 1.223492705 0.1233668375 . . . . . . . 4 ILE HG13 . 53041 1 36 . 1 . 1 4 4 ILE HG21 H 1 0.7866770739 0.003291708297 . . . . . . . 4 ILE HG2# . 53041 1 37 . 1 . 1 4 4 ILE HG22 H 1 0.7866770739 0.003291708297 . . . . . . . 4 ILE HG2# . 53041 1 38 . 1 . 1 4 4 ILE HG23 H 1 0.7866770739 0.003291708297 . . . . . . . 4 ILE HG2# . 53041 1 39 . 1 . 1 4 4 ILE HD11 H 1 0.7866770739 0.003291708297 . . . . . . . 4 ILE HD1# . 53041 1 40 . 1 . 1 4 4 ILE HD12 H 1 0.7866770739 0.003291708297 . . . . . . . 4 ILE HD1# . 53041 1 41 . 1 . 1 4 4 ILE HD13 H 1 0.7866770739 0.003291708297 . . . . . . . 4 ILE HD1# . 53041 1 42 . 1 . 1 4 4 ILE CA C 13 61.56232638 . . . . . . . . 4 ILE CA . 53041 1 43 . 1 . 1 4 4 ILE CB C 13 38.63377803 . . . . . . . . 4 ILE CB . 53041 1 44 . 1 . 1 4 4 ILE CG1 C 13 27.5025692 0.000804901123 . . . . . . . 4 ILE CG1 . 53041 1 45 . 1 . 1 4 4 ILE CG2 C 13 17.46075925 . . . . . . . . 4 ILE CG2 . 53041 1 46 . 1 . 1 4 4 ILE CD1 C 13 12.92947557 . . . . . . . . 4 ILE CD1 . 53041 1 47 . 1 . 1 4 4 ILE N N 15 123.4842334 . . . . . . . . 4 ILE N . 53041 1 48 . 1 . 1 5 5 LYS H H 1 8.096502685 0.001738991722 . . . . . . . 5 LYS H . 53041 1 49 . 1 . 1 5 5 LYS HA H 1 4.156416023 0.006530806641 . . . . . . . 5 LYS HA . 53041 1 50 . 1 . 1 5 5 LYS HB2 H 1 1.686026265 0.01291297629 . . . . . . . 5 LYS HB2 . 53041 1 51 . 1 . 1 5 5 LYS HB3 H 1 1.686026265 0.01291297629 . . . . . . . 5 LYS HB3 . 53041 1 52 . 1 . 1 5 5 LYS HG2 H 1 1.377931321 0.01109640611 . . . . . . . 5 LYS HG2 . 53041 1 53 . 1 . 1 5 5 LYS HG3 H 1 1.367448577 0.01736072572 . . . . . . . 5 LYS HG3 . 53041 1 54 . 1 . 1 5 5 LYS HD2 H 1 1.65480573 0.010113576 . . . . . . . 5 LYS HD2 . 53041 1 55 . 1 . 1 5 5 LYS HD3 H 1 1.65480573 0.010113576 . . . . . . . 5 LYS HD3 . 53041 1 56 . 1 . 1 5 5 LYS HE2 H 1 2.949332168 0.003228170431 . . . . . . . 5 LYS HE2 . 53041 1 57 . 1 . 1 5 5 LYS CA C 13 56.77589736 . . . . . . . . 5 LYS CA . 53041 1 58 . 1 . 1 5 5 LYS CB C 13 32.79494137 0.1969575204 . . . . . . . 5 LYS CB . 53041 1 59 . 1 . 1 5 5 LYS CG C 13 25.09415817 0 . . . . . . . 5 LYS CG . 53041 1 60 . 1 . 1 5 5 LYS CD C 13 29.35851803 . . . . . . . . 5 LYS CD . 53041 1 61 . 1 . 1 5 5 LYS CE C 13 42.36911022 . . . . . . . . 5 LYS CE . 53041 1 62 . 1 . 1 5 5 LYS N N 15 126.232105 . . . . . . . . 5 LYS N . 53041 1 63 . 1 . 1 6 6 ARG H H 1 8.193658095 0.002142528444 . . . . . . . 6 ARG H . 53041 1 64 . 1 . 1 6 6 ARG HA H 1 4.27157247 0.00385349486 . . . . . . . 6 ARG HA . 53041 1 65 . 1 . 1 6 6 ARG HB2 H 1 1.785294402 0.0119784141 . . . . . . . 6 ARG HB2 . 53041 1 66 . 1 . 1 6 6 ARG HB3 H 1 1.745695716 0.01518196257 . . . . . . . 6 ARG HB3 . 53041 1 67 . 1 . 1 6 6 ARG HG2 H 1 1.58416917 0.02499756766 . . . . . . . 6 ARG HG2 . 53041 1 68 . 1 . 1 6 6 ARG HG3 H 1 1.541694838 0.00797977865 . . . . . . . 6 ARG HG3 . 53041 1 69 . 1 . 1 6 6 ARG HD2 H 1 3.11198823 0.008341554637 . . . . . . . 6 ARG HD2 . 53041 1 70 . 1 . 1 6 6 ARG HD3 H 1 3.112424052 0.008010703829 . . . . . . . 6 ARG HD3 . 53041 1 71 . 1 . 1 6 6 ARG HE H 1 7.121433668 0.001460139705 . . . . . . . 6 ARG HE . 53041 1 72 . 1 . 1 6 6 ARG CA C 13 55.82802582 . . . . . . . . 6 ARG CA . 53041 1 73 . 1 . 1 6 6 ARG CB C 13 30.83421898 0.01342010498 . . . . . . . 6 ARG CB . 53041 1 74 . 1 . 1 6 6 ARG CG C 13 27.29109573 . . . . . . . . 6 ARG CG . 53041 1 75 . 1 . 1 6 6 ARG CD C 13 43.59842688 . . . . . . . . 6 ARG CD . 53041 1 76 . 1 . 1 6 6 ARG N N 15 123.445585 . . . . . . . . 6 ARG N . 53041 1 77 . 1 . 1 7 7 LEU H H 1 8.142524827 0.004454007685 . . . . . . . 7 LEU H . 53041 1 78 . 1 . 1 7 7 LEU HA H 1 4.292919996 0.005525348467 . . . . . . . 7 LEU HA . 53041 1 79 . 1 . 1 7 7 LEU HB2 H 1 1.579256989 0.005164014784 . . . . . . . 7 LEU HB2 . 53041 1 80 . 1 . 1 7 7 LEU HB3 H 1 1.579256989 0.005164014784 . . . . . . . 7 LEU HB3 . 53041 1 81 . 1 . 1 7 7 LEU HG H 1 1.57731021 0.008190929289 . . . . . . . 7 LEU HG . 53041 1 82 . 1 . 1 7 7 LEU HD11 H 1 0.8873747282 0.02332261542 . . . . . . . 7 LEU HD1# . 53041 1 83 . 1 . 1 7 7 LEU HD12 H 1 0.8873747282 0.02332261542 . . . . . . . 7 LEU HD1# . 53041 1 84 . 1 . 1 7 7 LEU HD13 H 1 0.8873747282 0.02332261542 . . . . . . . 7 LEU HD1# . 53041 1 85 . 1 . 1 7 7 LEU HD21 H 1 0.8562275051 0.006092879946 . . . . . . . 7 LEU HD2# . 53041 1 86 . 1 . 1 7 7 LEU HD22 H 1 0.8562275051 0.006092879946 . . . . . . . 7 LEU HD2# . 53041 1 87 . 1 . 1 7 7 LEU HD23 H 1 0.8562275051 0.006092879946 . . . . . . . 7 LEU HD2# . 53041 1 88 . 1 . 1 7 7 LEU CA C 13 55.70240784 . . . . . . . . 7 LEU CA . 53041 1 89 . 1 . 1 7 7 LEU CB C 13 42.62306213 . . . . . . . . 7 LEU CB . 53041 1 90 . 1 . 1 7 7 LEU CG C 13 27.22651958 0.07687473297 . . . . . . . 7 LEU CG . 53041 1 91 . 1 . 1 7 7 LEU CD1 C 13 25.09247963 0.08224479431 . . . . . . . 7 LEU CD1 . 53041 1 92 . 1 . 1 7 7 LEU CD2 C 13 23.56713104 . . . . . . . . 7 LEU CD2 . 53041 1 93 . 1 . 1 7 7 LEU N N 15 124.1784793 . . . . . . . . 7 LEU N . 53041 1 94 . 1 . 1 8 8 ASN H H 1 8.323587923 0.001142698943 . . . . . . . 8 ASN H . 53041 1 95 . 1 . 1 8 8 ASN HA H 1 4.542913519 0.002646327208 . . . . . . . 8 ASN HA . 53041 1 96 . 1 . 1 8 8 ASN HB2 H 1 2.623350003 0.003260178664 . . . . . . . 8 ASN HB2 . 53041 1 97 . 1 . 1 8 8 ASN HB3 H 1 2.623350003 0.003260178665 . . . . . . . 8 ASN HB3 . 53041 1 98 . 1 . 1 8 8 ASN CA C 13 53.56883214 . . . . . . . . 8 ASN CA . 53041 1 99 . 1 . 1 8 8 ASN CB C 13 38.87161616 . . . . . . . . 8 ASN CB . 53041 1 100 . 1 . 1 8 8 ASN N N 15 120.0491009 . . . . . . . . 8 ASN N . 53041 1 101 . 1 . 1 9 9 SER H H 1 8.04073898 0.01076895303 . . . . . . . 9 SER H . 53041 1 102 . 1 . 1 9 9 SER HA H 1 4.324480514 0.005871272841 . . . . . . . 9 SER HA . 53041 1 103 . 1 . 1 9 9 SER HB2 H 1 3.790326577 0.004227881845 . . . . . . . 9 SER HB2 . 53041 1 104 . 1 . 1 9 9 SER HB3 H 1 3.759514315 0.003380543405 . . . . . . . 9 SER HB3 . 53041 1 105 . 1 . 1 9 9 SER CA C 13 58.90518408 . . . . . . . . 9 SER CA . 53041 1 106 . 1 . 1 9 9 SER CB C 13 63.80082703 . . . . . . . . 9 SER CB . 53041 1 107 . 1 . 1 9 9 SER N N 15 116.3961443 . . . . . . . . 9 SER N . 53041 1 108 . 1 . 1 10 10 TRP H H 1 7.978097029 0.003593684722 . . . . . . . 10 TRP H . 53041 1 109 . 1 . 1 10 10 TRP HA H 1 4.721285482 0.008813371038 . . . . . . . 10 TRP HA . 53041 1 110 . 1 . 1 10 10 TRP HB2 H 1 3.321497029 0.008454765038 . . . . . . . 10 TRP HB2 . 53041 1 111 . 1 . 1 10 10 TRP HB3 H 1 3.274762257 0.004742643166 . . . . . . . 10 TRP HB3 . 53041 1 112 . 1 . 1 10 10 TRP HD1 H 1 7.243004369 0.004747983476 . . . . . . . 10 TRP HD1 . 53041 1 113 . 1 . 1 10 10 TRP HE1 H 1 10.18212353 0.00263687377 . . . . . . . 10 TRP HE1 . 53041 1 114 . 1 . 1 10 10 TRP HE3 H 1 7.635776463 0.002377869766 . . . . . . . 10 TRP HE3 . 53041 1 115 . 1 . 1 10 10 TRP HZ2 H 1 7.504130363 0.006142801109 . . . . . . . 10 TRP HZ2 . 53041 1 116 . 1 . 1 10 10 TRP HZ3 H 1 6.86599121 0.001084242874 . . . . . . . 10 TRP HZ3 . 53041 1 117 . 1 . 1 10 10 TRP HH2 H 1 7.169346369 0.01258960872 . . . . . . . 10 TRP HH2 . 53041 1 118 . 1 . 1 10 10 TRP CA C 13 57.46177495 . . . . . . . . 10 TRP CA . 53041 1 119 . 1 . 1 10 10 TRP CB C 13 29.83524036 0.003302574158 . . . . . . . 10 TRP CB . 53041 1 120 . 1 . 1 10 10 TRP CD1 C 13 125.0161013 . . . . . . . . 10 TRP CD1 . 53041 1 121 . 1 . 1 10 10 TRP CD2 C 13 127.3541394 . . . . . . . . 10 TRP CD2 . 53041 1 122 . 1 . 1 10 10 TRP CE3 C 13 121.1200513 . . . . . . . . 10 TRP CE3 . 53041 1 123 . 1 . 1 10 10 TRP CZ2 C 13 114.9236842 . . . . . . . . 10 TRP CZ2 . 53041 1 124 . 1 . 1 10 10 TRP CH2 C 13 122.4114496 . . . . . . . . 10 TRP CH2 . 53041 1 125 . 1 . 1 10 10 TRP N N 15 123.3504603 . . . . . . . . 10 TRP N . 53041 1 126 . 1 . 1 10 10 TRP NE1 N 15 130.8099803 . . . . . . . . 10 TRP NE1 . 53041 1 127 . 1 . 1 11 11 LEU H H 1 7.942057286 0.0007369513074 . . . . . . . 11 LEU H . 53041 1 128 . 1 . 1 11 11 LEU HA H 1 4.303892765 0.001391008702 . . . . . . . 11 LEU HA . 53041 1 129 . 1 . 1 11 11 LEU HB2 H 1 1.505087272 0.006769853929 . . . . . . . 11 LEU HB2 . 53041 1 130 . 1 . 1 11 11 LEU HB3 H 1 1.505087272 0.006769853929 . . . . . . . 11 LEU HB3 . 53041 1 131 . 1 . 1 11 11 LEU HG H 1 1.49883836 0.007763491191 . . . . . . . 11 LEU HG . 53041 1 132 . 1 . 1 11 11 LEU HD11 H 1 0.839066391 0.01283682408 . . . . . . . 11 LEU HD1# . 53041 1 133 . 1 . 1 11 11 LEU HD12 H 1 0.839066391 0.01283682408 . . . . . . . 11 LEU HD1# . 53041 1 134 . 1 . 1 11 11 LEU HD13 H 1 0.839066391 0.01283682408 . . . . . . . 11 LEU HD1# . 53041 1 135 . 1 . 1 11 11 LEU HD21 H 1 0.839066391 0.01283682408 . . . . . . . 11 LEU HD2# . 53041 1 136 . 1 . 1 11 11 LEU HD22 H 1 0.839066391 0.01283682408 . . . . . . . 11 LEU HD2# . 53041 1 137 . 1 . 1 11 11 LEU HD23 H 1 0.839066391 0.01283682408 . . . . . . . 11 LEU HD2# . 53041 1 138 . 1 . 1 11 11 LEU CA C 13 55.70200729 . . . . . . . . 11 LEU CA . 53041 1 139 . 1 . 1 11 11 LEU CB C 13 42.62576675 . . . . . . . . 11 LEU CB . 53041 1 140 . 1 . 1 11 11 LEU CG C 13 27.31592751 . . . . . . . . 11 LEU CG . 53041 1 141 . 1 . 1 11 11 LEU CD1 C 13 24.43531036 . . . . . . . . 11 LEU CD1 . 53041 1 142 . 1 . 1 11 11 LEU CD2 C 13 24.43531036 . . . . . . . . 11 LEU CD2 . 53041 1 143 . 1 . 1 11 11 LEU N N 15 125.2166536 . . . . . . . . 11 LEU N . 53041 1 144 . 1 . 1 12 12 ARG H H 1 7.747921247 0.002837910118 . . . . . . . 12 ARG H . 53041 1 145 . 1 . 1 12 12 ARG HA H 1 4.124458042 0.002552221821 . . . . . . . 12 ARG HA . 53041 1 146 . 1 . 1 12 12 ARG HB2 H 1 1.8123751 0.003163090789 . . . . . . . 12 ARG HB2 . 53041 1 147 . 1 . 1 12 12 ARG HB3 H 1 1.8123751 0.003163090789 . . . . . . . 12 ARG HB3 . 53041 1 148 . 1 . 1 12 12 ARG HG2 H 1 1.5367612 0.001773062648 . . . . . . . 12 ARG HG2 . 53041 1 149 . 1 . 1 12 12 ARG HG3 H 1 1.5367612 0.001773062648 . . . . . . . 12 ARG HG3 . 53041 1 150 . 1 . 1 12 12 ARG HD2 H 1 3.122720901 0.003672290054 . . . . . . . 12 ARG HD2 . 53041 1 151 . 1 . 1 12 12 ARG HD3 H 1 3.122720901 0.003672290054 . . . . . . . 12 ARG HD3 . 53041 1 152 . 1 . 1 12 12 ARG CA C 13 57.50371665 . . . . . . . . 12 ARG CA . 53041 1 153 . 1 . 1 12 12 ARG CB C 13 31.55370722 . . . . . . . . 12 ARG CB . 53041 1 154 . 1 . 1 12 12 ARG CG C 13 27.2008152 . . . . . . . . 12 ARG CG . 53041 1 155 . 1 . 1 12 12 ARG CD C 13 43.20199585 . . . . . . . . 12 ARG CD . 53041 1 156 . 1 . 1 12 12 ARG N N 15 127.925209 . . . . . . . . 12 ARG N . 53041 1 stop_ save_