################################### # 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 52414 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Bcl11A-Z0 _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 NOESY' . . . 52414 1 2 '2D 1H-1H TOCSY' . . . 52414 1 3 '2D 1H-13C HSQC' . . . 52414 1 4 '2D 1H-1H NOESY' . . . 52414 1 5 '2D 1H-1H NOESY' . . . 52414 1 6 '2D 1H-1H TOCSY' . . . 52414 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 2 $software_2 . . 52414 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 LEU H H 1 8.136691121 0.004168126596 . 1 . . . . . 1 LEU H . 52414 1 2 . 1 . 1 1 1 LEU HA H 1 3.861967581 0.01225311142 . 1 . . . . . 1 LEU HA . 52414 1 3 . 1 . 1 1 1 LEU HB2 H 1 1.422729938 0.01750513862 . 1 . . . . . 1 LEU HB2 . 52414 1 4 . 1 . 1 1 1 LEU HB3 H 1 0.8600548853 0.009441547542 . 1 . . . . . 1 LEU HB3 . 52414 1 5 . 1 . 1 1 1 LEU HG H 1 1.28609839 0.003864344072 . 1 . . . . . 1 LEU HG . 52414 1 6 . 1 . 1 1 1 LEU HD11 H 1 0.5067465405 0.01519035389 . 2 . . . . . 1 LEU HD1# . 52414 1 7 . 1 . 1 1 1 LEU HD12 H 1 0.5067465405 0.01519035389 . 2 . . . . . 1 LEU HD1# . 52414 1 8 . 1 . 1 1 1 LEU HD13 H 1 0.5067465405 0.01519035389 . 2 . . . . . 1 LEU HD1# . 52414 1 9 . 1 . 1 1 1 LEU HD21 H 1 0.5613662093 0.006549118559 . 2 . . . . . 1 LEU HD2# . 52414 1 10 . 1 . 1 1 1 LEU HD22 H 1 0.5613662093 0.006549118559 . 2 . . . . . 1 LEU HD2# . 52414 1 11 . 1 . 1 1 1 LEU HD23 H 1 0.5613662093 0.006549118559 . 2 . . . . . 1 LEU HD2# . 52414 1 12 . 1 . 1 1 1 LEU CA C 13 53.47076515 0 . 1 . . . . . 1 LEU CA . 52414 1 13 . 1 . 1 1 1 LEU CD1 C 13 24.13277472 0 . 2 . . . . . 1 LEU CD1 . 52414 1 14 . 1 . 1 1 1 LEU CD2 C 13 23.0125476 0 . 2 . . . . . 1 LEU CD2 . 52414 1 15 . 1 . 1 2 2 THR H H 1 8.775022622 0.01720254392 . 1 . . . . . 2 THR H . 52414 1 16 . 1 . 1 2 2 THR HA H 1 5.231648288 0.02835492984 . 1 . . . . . 2 THR HA . 52414 1 17 . 1 . 1 2 2 THR HB H 1 3.715694421 0.00755078978 . 1 . . . . . 2 THR HB . 52414 1 18 . 1 . 1 2 2 THR HG21 H 1 0.9917697382 0.009322674861 . 1 . . . . . 2 THR HG2# . 52414 1 19 . 1 . 1 2 2 THR HG22 H 1 0.9917697382 0.009322674861 . 1 . . . . . 2 THR HG2# . 52414 1 20 . 1 . 1 2 2 THR HG23 H 1 0.9917697382 0.009322674861 . 1 . . . . . 2 THR HG2# . 52414 1 21 . 1 . 1 2 2 THR CA C 13 59.89309582 0 . 1 . . . . . 2 THR CA . 52414 1 22 . 1 . 1 2 2 THR CB C 13 71.79099826 0 . 1 . . . . . 2 THR CB . 52414 1 23 . 1 . 1 2 2 THR CG2 C 13 21.52387779 0 . 1 . . . . . 2 THR CG2 . 52414 1 24 . 1 . 1 3 3 CYS H H 1 9.151741267 0.002596653249 . 1 . . . . . 3 CYS H . 52414 1 25 . 1 . 1 3 3 CYS HA H 1 4.566007642 0.004076038716 . 1 . . . . . 3 CYS HA . 52414 1 26 . 1 . 1 3 3 CYS HB2 H 1 2.93337256 0.00532088751 . 1 . . . . . 3 CYS HB2 . 52414 1 27 . 1 . 1 3 3 CYS HB3 H 1 3.458630225 0.01484010527 . 1 . . . . . 3 CYS HB3 . 52414 1 28 . 1 . 1 3 3 CYS CB C 13 30.80485487 0 . 1 . . . . . 3 CYS CB . 52414 1 29 . 1 . 1 4 4 GLY H H 1 8.578352046 0.0005385377522 . 1 . . . . . 4 GLY H . 52414 1 30 . 1 . 1 4 4 GLY HA2 H 1 3.904264855 0.01342089665 . 2 . . . . . 4 GLY HA2 . 52414 1 31 . 1 . 1 4 4 GLY HA3 H 1 4.028305986 0.02750162024 . 2 . . . . . 4 GLY HA3 . 52414 1 32 . 1 . 1 4 4 GLY CA C 13 46.17327999 0.1734834194 . 1 . . . . . 4 GLY CA . 52414 1 33 . 1 . 1 5 5 GLN H H 1 8.947118982 0.008435308487 . 1 . . . . . 5 GLN H . 52414 1 34 . 1 . 1 5 5 GLN HA H 1 4.468618548 0.007313279221 . 1 . . . . . 5 GLN HA . 52414 1 35 . 1 . 1 5 5 GLN HB2 H 1 2.107961596 0.008998816466 . 2 . . . . . 5 GLN HB2 . 52414 1 36 . 1 . 1 5 5 GLN HB3 H 1 2.107961596 0.008998816466 . 2 . . . . . 5 GLN HB3 . 52414 1 37 . 1 . 1 5 5 GLN HG2 H 1 2.362683407 0.02118179415 . 2 . . . . . 5 GLN HG2 . 52414 1 38 . 1 . 1 5 5 GLN HG3 H 1 2.413432345 0.009476901129 . 2 . . . . . 5 GLN HG3 . 52414 1 39 . 1 . 1 5 5 GLN HE21 H 1 6.870979911 0 . 2 . . . . . 5 GLN HE21 . 52414 1 40 . 1 . 1 5 5 GLN HE22 H 1 7.549569778 0 . 2 . . . . . 5 GLN HE22 . 52414 1 41 . 1 . 1 6 6 CYS H H 1 8.016653915 0.006989836441 . 1 . . . . . 6 CYS H . 52414 1 42 . 1 . 1 6 6 CYS HA H 1 5.029485493 0.00289830121 . 1 . . . . . 6 CYS HA . 52414 1 43 . 1 . 1 6 6 CYS HB2 H 1 2.913090835 0.01333176153 . 1 . . . . . 6 CYS HB2 . 52414 1 44 . 1 . 1 6 6 CYS HB3 H 1 3.312049819 0.01715803593 . 1 . . . . . 6 CYS HB3 . 52414 1 45 . 1 . 1 7 7 GLN H H 1 7.94506518 0 . 1 . . . . . 7 GLN H . 52414 1 46 . 1 . 1 7 7 GLN HA H 1 4.258004758 0.03230428155 . 1 . . . . . 7 GLN HA . 52414 1 47 . 1 . 1 7 7 GLN HB2 H 1 2.063149298 0.003168456896 . 2 . . . . . 7 GLN HB2 . 52414 1 48 . 1 . 1 7 7 GLN HB3 H 1 2.063149298 0.003168456896 . 2 . . . . . 7 GLN HB3 . 52414 1 49 . 1 . 1 7 7 GLN HG2 H 1 2.309298324 0.002017455547 . 2 . . . . . 7 GLN HG2 . 52414 1 50 . 1 . 1 7 7 GLN HG3 H 1 2.309298324 0.002017455547 . 2 . . . . . 7 GLN HG3 . 52414 1 51 . 1 . 1 8 8 MET H H 1 7.991364717 0.005494758174 . 1 . . . . . 8 MET H . 52414 1 52 . 1 . 1 8 8 MET HA H 1 4.04413103 0.005825104763 . 1 . . . . . 8 MET HA . 52414 1 53 . 1 . 1 8 8 MET HB2 H 1 2.15407046 0.02300459359 . 1 . . . . . 8 MET HB2 . 52414 1 54 . 1 . 1 8 8 MET HB3 H 1 2.051732975 0.02170398032 . 1 . . . . . 8 MET HB3 . 52414 1 55 . 1 . 1 8 8 MET HG2 H 1 2.298268801 0.003366046155 . 2 . . . . . 8 MET HG2 . 52414 1 56 . 1 . 1 8 8 MET HG3 H 1 2.400245178 0.005138694507 . 2 . . . . . 8 MET HG3 . 52414 1 57 . 1 . 1 8 8 MET HE1 H 1 1.928930386 0 . 1 . . . . . 8 MET HE# . 52414 1 58 . 1 . 1 8 8 MET HE2 H 1 1.928930386 0 . 1 . . . . . 8 MET HE# . 52414 1 59 . 1 . 1 8 8 MET HE3 H 1 1.928930386 0 . 1 . . . . . 8 MET HE# . 52414 1 60 . 1 . 1 8 8 MET CB C 13 37.98430967 0.01822328476 . 1 . . . . . 8 MET CB . 52414 1 61 . 1 . 1 8 8 MET CE C 13 17.10972432 0 . 1 . . . . . 8 MET CE . 52414 1 62 . 1 . 1 9 9 ASN H H 1 8.673952967 0.001684900122 . 1 . . . . . 9 ASN H . 52414 1 63 . 1 . 1 9 9 ASN HA H 1 4.801671925 0.00168490012 . 1 . . . . . 9 ASN HA . 52414 1 64 . 1 . 1 9 9 ASN HB2 H 1 2.505284077 0.02243745439 . 2 . . . . . 9 ASN HB2 . 52414 1 65 . 1 . 1 9 9 ASN HB3 H 1 2.921658853 0.01019492047 . 2 . . . . . 9 ASN HB3 . 52414 1 66 . 1 . 1 10 10 PHE H H 1 8.228465927 0.02972329343 . 1 . . . . . 10 PHE H . 52414 1 67 . 1 . 1 10 10 PHE HA H 1 5.262891044 0.02292885806 . 1 . . . . . 10 PHE HA . 52414 1 68 . 1 . 1 10 10 PHE HB2 H 1 2.537545452 0.01261242575 . 2 . . . . . 10 PHE HB2 . 52414 1 69 . 1 . 1 10 10 PHE HB3 H 1 2.916942077 0.0217830106 . 2 . . . . . 10 PHE HB3 . 52414 1 70 . 1 . 1 10 10 PHE HD1 H 1 7.12155059 0.005334172086 . 3 . . . . . 10 PHE HD# . 52414 1 71 . 1 . 1 10 10 PHE HD2 H 1 7.12155059 0.005334172086 . 3 . . . . . 10 PHE HD# . 52414 1 72 . 1 . 1 10 10 PHE HE1 H 1 6.897463827 0.003856177163 . 3 . . . . . 10 PHE HE# . 52414 1 73 . 1 . 1 10 10 PHE HE2 H 1 6.897463827 0.003856177163 . 3 . . . . . 10 PHE HE# . 52414 1 74 . 1 . 1 10 10 PHE HZ H 1 6.272266505 0.004723796677 . 1 . . . . . 10 PHE HZ . 52414 1 75 . 1 . 1 10 10 PHE CA C 13 51.89483031 0 . 1 . . . . . 10 PHE CA . 52414 1 76 . 1 . 1 10 10 PHE CB C 13 40.57975532 0.004409648991 . 1 . . . . . 10 PHE CB . 52414 1 77 . 1 . 1 11 11 PRO HA H 1 4.450015935 0.003849570974 . 1 . . . . . 11 PRO HA . 52414 1 78 . 1 . 1 11 11 PRO HB2 H 1 2.307316252 0.004290076009 . 2 . . . . . 11 PRO HB2 . 52414 1 79 . 1 . 1 11 11 PRO HB3 H 1 2.334071243 0.007225290801 . 2 . . . . . 11 PRO HB3 . 52414 1 80 . 1 . 1 11 11 PRO HG2 H 1 1.932985988 0.005815730795 . 2 . . . . . 11 PRO HG2 . 52414 1 81 . 1 . 1 11 11 PRO HG3 H 1 2.00443968 0.01926482297 . 2 . . . . . 11 PRO HG3 . 52414 1 82 . 1 . 1 11 11 PRO HD2 H 1 3.74909067 0.004789664434 . 2 . . . . . 11 PRO HD2 . 52414 1 83 . 1 . 1 11 11 PRO HD3 H 1 3.906042145 0.00490034094 . 2 . . . . . 11 PRO HD3 . 52414 1 84 . 1 . 1 11 11 PRO CB C 13 33.99263668 0 . 1 . . . . . 11 PRO CB . 52414 1 85 . 1 . 1 12 12 LEU H H 1 7.994238598 0.006979666818 . 1 . . . . . 12 LEU H . 52414 1 86 . 1 . 1 12 12 LEU HA H 1 4.093402829 0.005337340189 . 1 . . . . . 12 LEU HA . 52414 1 87 . 1 . 1 12 12 LEU HB2 H 1 1.442131363 0.009628312386 . 1 . . . . . 12 LEU HB2 . 52414 1 88 . 1 . 1 12 12 LEU HB3 H 1 1.793768244 0 . 1 . . . . . 12 LEU HB3 . 52414 1 89 . 1 . 1 12 12 LEU HG H 1 1.296018226 0 . 1 . . . . . 12 LEU HG . 52414 1 90 . 1 . 1 12 12 LEU HD11 H 1 0.9450047618 0.006412392369 . 2 . . . . . 12 LEU HD1# . 52414 1 91 . 1 . 1 12 12 LEU HD12 H 1 0.9450047618 0.006412392369 . 2 . . . . . 12 LEU HD1# . 52414 1 92 . 1 . 1 12 12 LEU HD13 H 1 0.9450047618 0.006412392369 . 2 . . . . . 12 LEU HD1# . 52414 1 93 . 1 . 1 12 12 LEU HD21 H 1 1.148454498 0.0002848213505 . 2 . . . . . 12 LEU HD2# . 52414 1 94 . 1 . 1 12 12 LEU HD22 H 1 1.148454498 0.0002848213505 . 2 . . . . . 12 LEU HD2# . 52414 1 95 . 1 . 1 12 12 LEU HD23 H 1 1.148454498 0.0002848213505 . 2 . . . . . 12 LEU HD2# . 52414 1 96 . 1 . 1 12 12 LEU CD1 C 13 24.55959921 0 . 2 . . . . . 12 LEU CD1 . 52414 1 97 . 1 . 1 12 12 LEU CD2 C 13 24.55959921 0 . 2 . . . . . 12 LEU CD2 . 52414 1 98 . 1 . 1 13 13 GLY H H 1 8.467357782 0.01830172664 . 1 . . . . . 13 GLY H . 52414 1 99 . 1 . 1 13 13 GLY HA2 H 1 4.090796427 0.00772439436 . 2 . . . . . 13 GLY HA2 . 52414 1 100 . 1 . 1 14 14 ASP H H 1 7.618757483 0.0221187018 . 1 . . . . . 14 ASP H . 52414 1 101 . 1 . 1 14 14 ASP HA H 1 4.453404221 0.005551285087 . 1 . . . . . 14 ASP HA . 52414 1 102 . 1 . 1 14 14 ASP HB2 H 1 2.627665596 0.02723779695 . 2 . . . . . 14 ASP HB2 . 52414 1 103 . 1 . 1 14 14 ASP HB3 H 1 2.70286894 0.008674917133 . 2 . . . . . 14 ASP HB3 . 52414 1 104 . 1 . 1 15 15 ILE H H 1 7.786103056 0.006205347374 . 1 . . . . . 15 ILE H . 52414 1 105 . 1 . 1 15 15 ILE HA H 1 4.02089488 0.0139092866 . 1 . . . . . 15 ILE HA . 52414 1 106 . 1 . 1 15 15 ILE HB H 1 1.821737031 0.009495289476 . 1 . . . . . 15 ILE HB . 52414 1 107 . 1 . 1 15 15 ILE HG12 H 1 1.014502543 0.01366101192 . 2 . . . . . 15 ILE HG12 . 52414 1 108 . 1 . 1 15 15 ILE HG13 H 1 1.644103347 0.01276906287 . 2 . . . . . 15 ILE HG13 . 52414 1 109 . 1 . 1 15 15 ILE HG21 H 1 0.9747264825 0.02509799768 . 1 . . . . . 15 ILE HG2# . 52414 1 110 . 1 . 1 15 15 ILE HG22 H 1 0.9747264825 0.02509799768 . 1 . . . . . 15 ILE HG2# . 52414 1 111 . 1 . 1 15 15 ILE HG23 H 1 0.9747264825 0.02509799768 . 1 . . . . . 15 ILE HG2# . 52414 1 112 . 1 . 1 15 15 ILE HD11 H 1 0.9165593295 0.01702825689 . 1 . . . . . 15 ILE HD1# . 52414 1 113 . 1 . 1 15 15 ILE HD12 H 1 0.9165593295 0.01702825689 . 1 . . . . . 15 ILE HD1# . 52414 1 114 . 1 . 1 15 15 ILE HD13 H 1 0.9165593295 0.01702825689 . 1 . . . . . 15 ILE HD1# . 52414 1 115 . 1 . 1 15 15 ILE CG2 C 13 17.96324771 0 . 1 . . . . . 15 ILE CG2 . 52414 1 116 . 1 . 1 16 16 LEU H H 1 8.470147978 0.00839188641 . 1 . . . . . 16 LEU H . 52414 1 117 . 1 . 1 16 16 LEU HA H 1 4.112857925 0.005973287781 . 1 . . . . . 16 LEU HA . 52414 1 118 . 1 . 1 16 16 LEU HB2 H 1 1.750071663 0.01197580268 . 1 . . . . . 16 LEU HB2 . 52414 1 119 . 1 . 1 16 16 LEU HB3 H 1 1.837317404 0.01789397577 . 1 . . . . . 16 LEU HB3 . 52414 1 120 . 1 . 1 16 16 LEU HG H 1 1.501468901 0.03541249698 . 1 . . . . . 16 LEU HG . 52414 1 121 . 1 . 1 16 16 LEU HD11 H 1 0.8993828897 0.004936881009 . 2 . . . . . 16 LEU HD1# . 52414 1 122 . 1 . 1 16 16 LEU HD12 H 1 0.8993828897 0.004936881009 . 2 . . . . . 16 LEU HD1# . 52414 1 123 . 1 . 1 16 16 LEU HD13 H 1 0.8993828897 0.004936881009 . 2 . . . . . 16 LEU HD1# . 52414 1 124 . 1 . 1 16 16 LEU HD21 H 1 0.9890451021 0.02834971371 . 2 . . . . . 16 LEU HD2# . 52414 1 125 . 1 . 1 16 16 LEU HD22 H 1 0.9890451021 0.02834971371 . 2 . . . . . 16 LEU HD2# . 52414 1 126 . 1 . 1 16 16 LEU HD23 H 1 0.9890451021 0.02834971371 . 2 . . . . . 16 LEU HD2# . 52414 1 127 . 1 . 1 16 16 LEU CG C 13 28.5525646 0 . 1 . . . . . 16 LEU CG . 52414 1 128 . 1 . 1 16 16 LEU CD1 C 13 23.68026894 0 . 2 . . . . . 16 LEU CD1 . 52414 1 129 . 1 . 1 16 16 LEU CD2 C 13 23.68026894 0 . 2 . . . . . 16 LEU CD2 . 52414 1 130 . 1 . 1 17 17 ILE H H 1 7.487347059 0.005315342203 . 1 . . . . . 17 ILE H . 52414 1 131 . 1 . 1 17 17 ILE HA H 1 3.841450949 0.006884826435 . 1 . . . . . 17 ILE HA . 52414 1 132 . 1 . 1 17 17 ILE HB H 1 2.126851128 0.01387941815 . 1 . . . . . 17 ILE HB . 52414 1 133 . 1 . 1 17 17 ILE HG12 H 1 1.145810419 0.01055120172 . 2 . . . . . 17 ILE HG12 . 52414 1 134 . 1 . 1 17 17 ILE HG13 H 1 1.145810419 0.01055120172 . 2 . . . . . 17 ILE HG13 . 52414 1 135 . 1 . 1 17 17 ILE HG21 H 1 0.9619513293 0.03923892124 . 1 . . . . . 17 ILE HG2# . 52414 1 136 . 1 . 1 17 17 ILE HG22 H 1 0.9619513293 0.03923892124 . 1 . . . . . 17 ILE HG2# . 52414 1 137 . 1 . 1 17 17 ILE HG23 H 1 0.9619513293 0.03923892124 . 1 . . . . . 17 ILE HG2# . 52414 1 138 . 1 . 1 17 17 ILE HD11 H 1 0.8258680764 0.03114080361 . 1 . . . . . 17 ILE HD1# . 52414 1 139 . 1 . 1 17 17 ILE HD12 H 1 0.8258680764 0.03114080361 . 1 . . . . . 17 ILE HD1# . 52414 1 140 . 1 . 1 17 17 ILE HD13 H 1 0.8258680764 0.03114080361 . 1 . . . . . 17 ILE HD1# . 52414 1 141 . 1 . 1 17 17 ILE CG2 C 13 17.60544731 0 . 1 . . . . . 17 ILE CG2 . 52414 1 142 . 1 . 1 17 17 ILE CD1 C 13 13.07901667 0 . 1 . . . . . 17 ILE CD1 . 52414 1 143 . 1 . 1 18 18 PHE H H 1 8.397392115 0.007693752315 . 1 . . . . . 18 PHE H . 52414 1 144 . 1 . 1 18 18 PHE HA H 1 3.323491531 0.008155363492 . 1 . . . . . 18 PHE HA . 52414 1 145 . 1 . 1 18 18 PHE HB2 H 1 2.326124307 0.009469819888 . 1 . . . . . 18 PHE HB2 . 52414 1 146 . 1 . 1 18 18 PHE HB3 H 1 3.085746993 0.01312054096 . 1 . . . . . 18 PHE HB3 . 52414 1 147 . 1 . 1 18 18 PHE HD1 H 1 6.697297823 0.01408901191 . 3 . . . . . 18 PHE HD# . 52414 1 148 . 1 . 1 18 18 PHE HD2 H 1 6.697297823 0.01408901191 . 3 . . . . . 18 PHE HD# . 52414 1 149 . 1 . 1 18 18 PHE HE1 H 1 7.139293332 0.01182510576 . 3 . . . . . 18 PHE HE# . 52414 1 150 . 1 . 1 18 18 PHE HE2 H 1 7.139293332 0.01182510576 . 3 . . . . . 18 PHE HE# . 52414 1 151 . 1 . 1 18 18 PHE HZ H 1 7.340415915 0.004172318327 . 1 . . . . . 18 PHE HZ . 52414 1 152 . 1 . 1 19 19 ILE H H 1 8.404042146 0.006640096457 . 1 . . . . . 19 ILE H . 52414 1 153 . 1 . 1 19 19 ILE HA H 1 3.3268161 0.01515054977 . 1 . . . . . 19 ILE HA . 52414 1 154 . 1 . 1 19 19 ILE HB H 1 1.844285886 0.02992527857 . 1 . . . . . 19 ILE HB . 52414 1 155 . 1 . 1 19 19 ILE HG12 H 1 1.213514153 0.01504371092 . 2 . . . . . 19 ILE HG12 . 52414 1 156 . 1 . 1 19 19 ILE HG13 H 1 1.213514153 0.01504371092 . 2 . . . . . 19 ILE HG13 . 52414 1 157 . 1 . 1 19 19 ILE HG21 H 1 0.8749358915 0.0009213345729 . 1 . . . . . 19 ILE HG2# . 52414 1 158 . 1 . 1 19 19 ILE HG22 H 1 0.8749358915 0.0009213345729 . 1 . . . . . 19 ILE HG2# . 52414 1 159 . 1 . 1 19 19 ILE HG23 H 1 0.8749358915 0.0009213345729 . 1 . . . . . 19 ILE HG2# . 52414 1 160 . 1 . 1 19 19 ILE HD11 H 1 0.9631081154 0 . 1 . . . . . 19 ILE HD1# . 52414 1 161 . 1 . 1 19 19 ILE HD12 H 1 0.9631081154 0 . 1 . . . . . 19 ILE HD1# . 52414 1 162 . 1 . 1 19 19 ILE HD13 H 1 0.9631081154 0 . 1 . . . . . 19 ILE HD1# . 52414 1 163 . 1 . 1 19 19 ILE CB C 13 37.74740697 0 . 1 . . . . . 19 ILE CB . 52414 1 164 . 1 . 1 19 19 ILE CG1 C 13 29.64196438 0 . 1 . . . . . 19 ILE CG1 . 52414 1 165 . 1 . 1 19 19 ILE CG2 C 13 17.2476469 0 . 1 . . . . . 19 ILE CG2 . 52414 1 166 . 1 . 1 19 19 ILE CD1 C 13 13.30369161 0 . 1 . . . . . 19 ILE CD1 . 52414 1 167 . 1 . 1 20 20 GLU H H 1 7.673680612 0.01745632365 . 1 . . . . . 20 GLU H . 52414 1 168 . 1 . 1 20 20 GLU HA H 1 4.090148856 0.009167759727 . 1 . . . . . 20 GLU HA . 52414 1 169 . 1 . 1 20 20 GLU HB2 H 1 2.03604681 0.007901944015 . 2 . . . . . 20 GLU HB2 . 52414 1 170 . 1 . 1 20 20 GLU HB3 H 1 2.106495674 0.009447216539 . 2 . . . . . 20 GLU HB3 . 52414 1 171 . 1 . 1 20 20 GLU HG2 H 1 2.274537271 0 . 2 . . . . . 20 GLU HG2 . 52414 1 172 . 1 . 1 20 20 GLU HG3 H 1 2.274537271 0 . 2 . . . . . 20 GLU HG3 . 52414 1 173 . 1 . 1 21 21 HIS H H 1 7.888310775 0.01366050567 . 1 . . . . . 21 HIS H . 52414 1 174 . 1 . 1 21 21 HIS HA H 1 5.009648375 0.02231516748 . 1 . . . . . 21 HIS HA . 52414 1 175 . 1 . 1 21 21 HIS HB2 H 1 2.722327265 0.03357430046 . 1 . . . . . 21 HIS HB2 . 52414 1 176 . 1 . 1 21 21 HIS HB3 H 1 3.166240704 0.01536114811 . 1 . . . . . 21 HIS HB3 . 52414 1 177 . 1 . 1 21 21 HIS HD2 H 1 6.787870402 0.00382896473 . 1 . . . . . 21 HIS HD2 . 52414 1 178 . 1 . 1 21 21 HIS HE1 H 1 8.016769823 0.006574868526 . 1 . . . . . 21 HIS HE1 . 52414 1 179 . 1 . 1 21 21 HIS CA C 13 58.88629087 0 . 1 . . . . . 21 HIS CA . 52414 1 180 . 1 . 1 21 21 HIS CB C 13 28.60193702 0 . 1 . . . . . 21 HIS CB . 52414 1 181 . 1 . 1 22 22 LYS H H 1 7.67862446 0.01517129391 . 1 . . . . . 22 LYS H . 52414 1 182 . 1 . 1 22 22 LYS HA H 1 4.328376336 0.007917520757 . 1 . . . . . 22 LYS HA . 52414 1 183 . 1 . 1 22 22 LYS HB2 H 1 1.652019795 0.004234403672 . 1 . . . . . 22 LYS HB2 . 52414 1 184 . 1 . 1 22 22 LYS HB3 H 1 1.726786495 0.01427428505 . 1 . . . . . 22 LYS HB3 . 52414 1 185 . 1 . 1 22 22 LYS HG2 H 1 1.360163719 0.004659325504 . 2 . . . . . 22 LYS HG2 . 52414 1 186 . 1 . 1 22 22 LYS HG3 H 1 1.464145508 0.008732130699 . 2 . . . . . 22 LYS HG3 . 52414 1 187 . 1 . 1 22 22 LYS HD2 H 1 1.653117186 0.004858773638 . 2 . . . . . 22 LYS HD2 . 52414 1 188 . 1 . 1 22 22 LYS HD3 H 1 1.831427347 0.01448062069 . 2 . . . . . 22 LYS HD3 . 52414 1 189 . 1 . 1 22 22 LYS HE2 H 1 2.939541676 0.001590408623 . 2 . . . . . 22 LYS HE2 . 52414 1 190 . 1 . 1 22 22 LYS HE3 H 1 2.939541676 0.001590408622 . 2 . . . . . 22 LYS HE3 . 52414 1 191 . 1 . 1 22 22 LYS CE C 13 41.52897803 0 . 1 . . . . . 22 LYS CE . 52414 1 192 . 1 . 1 23 23 ARG H H 1 7.970541249 0.01077320161 . 1 . . . . . 23 ARG H . 52414 1 193 . 1 . 1 23 23 ARG HA H 1 4.240287616 0.006455671633 . 1 . . . . . 23 ARG HA . 52414 1 194 . 1 . 1 23 23 ARG HB2 H 1 2.055829287 0.01090191921 . 2 . . . . . 23 ARG HB2 . 52414 1 195 . 1 . 1 23 23 ARG HB3 H 1 2.312456956 0.002185457897 . 2 . . . . . 23 ARG HB3 . 52414 1 196 . 1 . 1 23 23 ARG HG2 H 1 1.507559441 0.02780630002 . 2 . . . . . 23 ARG HG2 . 52414 1 197 . 1 . 1 23 23 ARG HG3 H 1 1.654000877 0.008324986007 . 2 . . . . . 23 ARG HG3 . 52414 1 198 . 1 . 1 23 23 ARG HD2 H 1 2.946988331 0.004681033616 . 2 . . . . . 23 ARG HD2 . 52414 1 199 . 1 . 1 23 23 ARG HD3 H 1 2.946988331 0.004681033616 . 2 . . . . . 23 ARG HD3 . 52414 1 200 . 1 . 1 23 23 ARG CA C 13 56.71302584 0 . 1 . . . . . 23 ARG CA . 52414 1 201 . 1 . 1 23 23 ARG CB C 13 28.71233148 0.06145276045 . 1 . . . . . 23 ARG CB . 52414 1 202 . 1 . 1 24 24 LYS H H 1 7.686829143 0.01362800829 . 1 . . . . . 24 LYS H . 52414 1 203 . 1 . 1 24 24 LYS HA H 1 4.031280705 0.01009896104 . 1 . . . . . 24 LYS HA . 52414 1 204 . 1 . 1 24 24 LYS HB2 H 1 1.740915616 0.01121312442 . 1 . . . . . 24 LYS HB2 . 52414 1 205 . 1 . 1 24 24 LYS HB3 H 1 1.890177302 0.0007149382883 . 1 . . . . . 24 LYS HB3 . 52414 1 206 . 1 . 1 24 24 LYS HG2 H 1 1.174059211 0.01415273124 . 2 . . . . . 24 LYS HG2 . 52414 1 207 . 1 . 1 24 24 LYS HG3 H 1 1.334448923 0 . 2 . . . . . 24 LYS HG3 . 52414 1 208 . 1 . 1 24 24 LYS HD2 H 1 1.595992392 0 . 2 . . . . . 24 LYS HD2 . 52414 1 209 . 1 . 1 24 24 LYS HD3 H 1 1.642219637 0 . 2 . . . . . 24 LYS HD3 . 52414 1 210 . 1 . 1 24 24 LYS CA C 13 57.93639753 0 . 1 . . . . . 24 LYS CA . 52414 1 211 . 1 . 1 25 25 GLN H H 1 8.407466795 0.01206076688 . 1 . . . . . 25 GLN H . 52414 1 212 . 1 . 1 25 25 GLN HA H 1 4.10341464 0.004243405283 . 1 . . . . . 25 GLN HA . 52414 1 213 . 1 . 1 25 25 GLN HB2 H 1 2.041231922 0.00352992427 . 2 . . . . . 25 GLN HB2 . 52414 1 214 . 1 . 1 25 25 GLN HB3 H 1 2.103421384 0.01807202466 . 2 . . . . . 25 GLN HB3 . 52414 1 215 . 1 . 1 25 25 GLN HG2 H 1 2.334240935 0.004430272977 . 2 . . . . . 25 GLN HG2 . 52414 1 216 . 1 . 1 25 25 GLN HG3 H 1 2.338671208 0 . 2 . . . . . 25 GLN HG3 . 52414 1 217 . 1 . 1 26 26 CYS H H 1 8.154026283 0.005052007074 . 1 . . . . . 26 CYS H . 52414 1 218 . 1 . 1 26 26 CYS HA H 1 4.180317435 0.003679514454 . 1 . . . . . 26 CYS HA . 52414 1 219 . 1 . 1 26 26 CYS HB2 H 1 3.202511688 0.008138980678 . 1 . . . . . 26 CYS HB2 . 52414 1 220 . 1 . 1 26 26 CYS HB3 H 1 3.485241934 0.01218729878 . 1 . . . . . 26 CYS HB3 . 52414 1 221 . 1 . 1 26 26 CYS CA C 13 59.16084512 0 . 1 . . . . . 26 CYS CA . 52414 1 222 . 1 . 1 26 26 CYS CB C 13 27.31968674 0.03556294008 . 1 . . . . . 26 CYS CB . 52414 1 223 . 1 . 1 27 27 ASN H H 1 7.699304123 0.01220500391 . 1 . . . . . 27 ASN H . 52414 1 224 . 1 . 1 27 27 ASN HA H 1 4.009236724 0 . 1 . . . . . 27 ASN HA . 52414 1 225 . 1 . 1 27 27 ASN HB2 H 1 2.635186683 0.0170851424 . 2 . . . . . 27 ASN HB2 . 52414 1 226 . 1 . 1 27 27 ASN HB3 H 1 2.69675075 0.006323919503 . 2 . . . . . 27 ASN HB3 . 52414 1 227 . 1 . 1 27 27 ASN CB C 13 40.59251019 0.08582261056 . 1 . . . . . 27 ASN CB . 52414 1 stop_ save_