################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27962 _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 $chemical_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-15N HSQC' . . . 27962 1 2 '2D 1H-13C HSQC' . . . 27962 1 3 '3D CBCA(CO)NH' . . . 27962 1 4 '3D HNCO' . . . 27962 1 5 '3D HNCACB' . . . 27962 1 6 '3D 1H-15N NOESY' . . . 27962 1 7 '3D 1H-15N TOCSY' . . . 27962 1 8 '3D HNHA' . . . 27962 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 5 5 ARG H H 1 7.853 0.00 . . . . . . . 1 ARG H . 27962 1 2 . 1 . 1 5 5 ARG CA C 13 55.713 0.00 . . . . . . . 1 ARG CA . 27962 1 3 . 1 . 1 5 5 ARG CB C 13 31.355 0.00 . . . . . . . 1 ARG CB . 27962 1 4 . 1 . 1 5 5 ARG N N 15 119.723 0.01 . . . . . . . 1 ARG N . 27962 1 5 . 1 . 1 6 6 THR HB H 1 4.256 0.00 . . . . . . . 2 THR HB . 27962 1 6 . 1 . 1 6 6 THR CB C 13 69.798 0.00 . . . . . . . 2 THR CB . 27962 1 7 . 1 . 1 8 8 SER C C 13 174.080 0.00 . . . . . . . 4 SER C . 27962 1 8 . 1 . 1 8 8 SER CA C 13 58.480 0.02 . . . . . . . 4 SER CA . 27962 1 9 . 1 . 1 8 8 SER CB C 13 63.814 0.03 . . . . . . . 4 SER CB . 27962 1 10 . 1 . 1 9 9 TYR H H 1 8.145 0.00 . . . . . . . 5 TYR H . 27962 1 11 . 1 . 1 9 9 TYR HA H 1 4.520 0.01 . . . . . . . 5 TYR HA . 27962 1 12 . 1 . 1 9 9 TYR HB2 H 1 3.076 0.00 . . . . . . . 5 TYR HB2 . 27962 1 13 . 1 . 1 9 9 TYR HB3 H 1 2.872 0.00 . . . . . . . 5 TYR HB3 . 27962 1 14 . 1 . 1 9 9 TYR C C 13 175.446 0.00 . . . . . . . 5 TYR C . 27962 1 15 . 1 . 1 9 9 TYR CA C 13 58.066 0.03 . . . . . . . 5 TYR CA . 27962 1 16 . 1 . 1 9 9 TYR CB C 13 38.617 0.01 . . . . . . . 5 TYR CB . 27962 1 17 . 1 . 1 9 9 TYR N N 15 121.434 0.03 . . . . . . . 5 TYR N . 27962 1 18 . 1 . 1 10 10 ASP H H 1 8.175 0.00 . . . . . . . 6 ASP H . 27962 1 19 . 1 . 1 10 10 ASP HA H 1 4.536 0.00 . . . . . . . 6 ASP HA . 27962 1 20 . 1 . 1 10 10 ASP HB2 H 1 2.635 0.00 . . . . . . . 6 ASP HB2 . 27962 1 21 . 1 . 1 10 10 ASP HB3 H 1 2.521 0.01 . . . . . . . 6 ASP HB3 . 27962 1 22 . 1 . 1 10 10 ASP CA C 13 54.473 0.00 . . . . . . . 6 ASP CA . 27962 1 23 . 1 . 1 10 10 ASP CB C 13 41.338 0.00 . . . . . . . 6 ASP CB . 27962 1 24 . 1 . 1 10 10 ASP N N 15 120.986 0.01 . . . . . . . 6 ASP N . 27962 1 25 . 1 . 1 17 17 ASP C C 13 175.990 0.00 . . . . . . . 13 ASP C . 27962 1 26 . 1 . 1 17 17 ASP CA C 13 54.343 0.04 . . . . . . . 13 ASP CA . 27962 1 27 . 1 . 1 17 17 ASP CB C 13 41.313 0.02 . . . . . . . 13 ASP CB . 27962 1 28 . 1 . 1 18 18 GLU H H 1 8.166 0.00 . . . . . . . 14 GLU H . 27962 1 29 . 1 . 1 18 18 GLU HA H 1 4.502 0.00 . . . . . . . 14 GLU HA . 27962 1 30 . 1 . 1 18 18 GLU HB2 H 1 1.877 0.01 . . . . . . . 14 GLU HB . 27962 1 31 . 1 . 1 18 18 GLU HB3 H 1 1.877 0.01 . . . . . . . 14 GLU HB . 27962 1 32 . 1 . 1 18 18 GLU HG2 H 1 2.228 0.01 . . . . . . . 14 GLU HG . 27962 1 33 . 1 . 1 18 18 GLU HG3 H 1 2.228 0.01 . . . . . . . 14 GLU HG . 27962 1 34 . 1 . 1 18 18 GLU CA C 13 55.249 0.00 . . . . . . . 14 GLU CA . 27962 1 35 . 1 . 1 18 18 GLU CB C 13 30.032 0.00 . . . . . . . 14 GLU CB . 27962 1 36 . 1 . 1 18 18 GLU N N 15 122.370 0.03 . . . . . . . 14 GLU N . 27962 1 37 . 1 . 1 20 20 PRO HA H 1 4.378 0.00 . . . . . . . 16 PRO HA . 27962 1 38 . 1 . 1 20 20 PRO C C 13 177.123 0.00 . . . . . . . 16 PRO C . 27962 1 39 . 1 . 1 20 20 PRO CA C 13 62.880 0.02 . . . . . . . 16 PRO CA . 27962 1 40 . 1 . 1 20 20 PRO CB C 13 32.115 0.01 . . . . . . . 16 PRO CB . 27962 1 41 . 1 . 1 21 21 LYS H H 1 8.438 0.00 . . . . . . . 17 LYS H . 27962 1 42 . 1 . 1 21 21 LYS HA H 1 4.227 0.00 . . . . . . . 17 LYS HA . 27962 1 43 . 1 . 1 21 21 LYS HB2 H 1 1.691 0.00 . . . . . . . 17 LYS HB . 27962 1 44 . 1 . 1 21 21 LYS HB3 H 1 1.691 0.00 . . . . . . . 17 LYS HB . 27962 1 45 . 1 . 1 21 21 LYS HG2 H 1 1.421 0.00 . . . . . . . 17 LYS HG . 27962 1 46 . 1 . 1 21 21 LYS HG3 H 1 1.421 0.00 . . . . . . . 17 LYS HG . 27962 1 47 . 1 . 1 21 21 LYS CA C 13 56.254 0.04 . . . . . . . 17 LYS CA . 27962 1 48 . 1 . 1 21 21 LYS CB C 13 33.186 0.00 . . . . . . . 17 LYS CB . 27962 1 49 . 1 . 1 21 21 LYS N N 15 121.840 0.03 . . . . . . . 17 LYS N . 27962 1 50 . 1 . 1 22 22 ASP H H 1 8.343 0.00 . . . . . . . 18 ASP H . 27962 1 51 . 1 . 1 22 22 ASP HA H 1 4.518 0.00 . . . . . . . 18 ASP HA . 27962 1 52 . 1 . 1 22 22 ASP C C 13 175.886 0.00 . . . . . . . 18 ASP C . 27962 1 53 . 1 . 1 22 22 ASP CA C 13 54.282 0.00 . . . . . . . 18 ASP CA . 27962 1 54 . 1 . 1 22 22 ASP CB C 13 41.049 0.03 . . . . . . . 18 ASP CB . 27962 1 55 . 1 . 1 22 22 ASP N N 15 120.155 0.01 . . . . . . . 18 ASP N . 27962 1 56 . 1 . 1 23 23 LEU H H 1 8.120 0.00 . . . . . . . 19 LEU H . 27962 1 57 . 1 . 1 23 23 LEU HA H 1 4.274 0.01 . . . . . . . 19 LEU HA . 27962 1 58 . 1 . 1 23 23 LEU HB2 H 1 1.561 0.00 . . . . . . . 19 LEU HB . 27962 1 59 . 1 . 1 23 23 LEU HB3 H 1 1.561 0.00 . . . . . . . 19 LEU HB . 27962 1 60 . 1 . 1 23 23 LEU C C 13 177.217 0.00 . . . . . . . 19 LEU C . 27962 1 61 . 1 . 1 23 23 LEU CA C 13 55.365 0.03 . . . . . . . 19 LEU CA . 27962 1 62 . 1 . 1 23 23 LEU CB C 13 42.348 0.03 . . . . . . . 19 LEU CB . 27962 1 63 . 1 . 1 23 23 LEU N N 15 122.268 0.04 . . . . . . . 19 LEU N . 27962 1 64 . 1 . 1 24 24 ILE H H 1 8.123 0.00 . . . . . . . 20 ILE H . 27962 1 65 . 1 . 1 24 24 ILE HA H 1 4.163 0.00 . . . . . . . 20 ILE HA . 27962 1 66 . 1 . 1 24 24 ILE HB H 1 1.855 0.00 . . . . . . . 20 ILE HB . 27962 1 67 . 1 . 1 24 24 ILE HG12 H 1 1.152 0.00 . . . . . . . 20 ILE HG1 . 27962 1 68 . 1 . 1 24 24 ILE HG13 H 1 1.152 0.00 . . . . . . . 20 ILE HG1 . 27962 1 69 . 1 . 1 24 24 ILE HG21 H 1 0.856 0.00 . . . . . . . 20 ILE HG2 . 27962 1 70 . 1 . 1 24 24 ILE HG22 H 1 0.856 0.00 . . . . . . . 20 ILE HG2 . 27962 1 71 . 1 . 1 24 24 ILE HG23 H 1 0.856 0.00 . . . . . . . 20 ILE HG2 . 27962 1 72 . 1 . 1 24 24 ILE HD11 H 1 0.840 0.00 . . . . . . . 20 ILE HD1 . 27962 1 73 . 1 . 1 24 24 ILE HD12 H 1 0.840 0.00 . . . . . . . 20 ILE HD1 . 27962 1 74 . 1 . 1 24 24 ILE HD13 H 1 0.840 0.00 . . . . . . . 20 ILE HD1 . 27962 1 75 . 1 . 1 24 24 ILE C C 13 176.434 0.00 . . . . . . . 20 ILE C . 27962 1 76 . 1 . 1 24 24 ILE CA C 13 61.134 0.04 . . . . . . . 20 ILE CA . 27962 1 77 . 1 . 1 24 24 ILE CB C 13 38.423 0.02 . . . . . . . 20 ILE CB . 27962 1 78 . 1 . 1 24 24 ILE N N 15 122.055 0.07 . . . . . . . 20 ILE N . 27962 1 79 . 1 . 1 25 25 THR H H 1 8.164 0.00 . . . . . . . 21 THR H . 27962 1 80 . 1 . 1 25 25 THR HA H 1 4.274 0.00 . . . . . . . 21 THR HA . 27962 1 81 . 1 . 1 25 25 THR HB H 1 4.156 0.00 . . . . . . . 21 THR HB . 27962 1 82 . 1 . 1 25 25 THR C C 13 174.326 0.00 . . . . . . . 21 THR C . 27962 1 83 . 1 . 1 25 25 THR CA C 13 61.847 0.02 . . . . . . . 21 THR CA . 27962 1 84 . 1 . 1 25 25 THR CB C 13 69.708 0.01 . . . . . . . 21 THR CB . 27962 1 85 . 1 . 1 25 25 THR N N 15 118.794 0.01 . . . . . . . 21 THR N . 27962 1 86 . 1 . 1 26 26 LYS H H 1 8.297 0.00 . . . . . . . 22 LYS H . 27962 1 87 . 1 . 1 26 26 LYS HA H 1 4.256 0.00 . . . . . . . 22 LYS HA . 27962 1 88 . 1 . 1 26 26 LYS HB2 H 1 1.781 0.01 . . . . . . . 22 LYS HB . 27962 1 89 . 1 . 1 26 26 LYS HB3 H 1 1.781 0.01 . . . . . . . 22 LYS HB . 27962 1 90 . 1 . 1 26 26 LYS C C 13 176.437 0.00 . . . . . . . 22 LYS C . 27962 1 91 . 1 . 1 26 26 LYS CA C 13 56.376 0.07 . . . . . . . 22 LYS CA . 27962 1 92 . 1 . 1 26 26 LYS CB C 13 33.175 0.04 . . . . . . . 22 LYS CB . 27962 1 93 . 1 . 1 26 26 LYS N N 15 123.791 0.03 . . . . . . . 22 LYS N . 27962 1 94 . 1 . 1 27 27 ASP H H 1 8.297 0.00 . . . . . . . 23 ASP H . 27962 1 95 . 1 . 1 27 27 ASP HA H 1 4.529 0.00 . . . . . . . 23 ASP HA . 27962 1 96 . 1 . 1 27 27 ASP C C 13 176.047 0.00 . . . . . . . 23 ASP C . 27962 1 97 . 1 . 1 27 27 ASP CA C 13 54.691 0.01 . . . . . . . 23 ASP CA . 27962 1 98 . 1 . 1 27 27 ASP CB C 13 41.111 0.04 . . . . . . . 23 ASP CB . 27962 1 99 . 1 . 1 27 27 ASP N N 15 120.361 0.03 . . . . . . . 23 ASP N . 27962 1 100 . 1 . 1 28 28 VAL H H 1 8.025 0.00 . . . . . . . 24 VAL H . 27962 1 101 . 1 . 1 28 28 VAL HA H 1 4.034 0.00 . . . . . . . 24 VAL HA . 27962 1 102 . 1 . 1 28 28 VAL HB H 1 2.030 0.00 . . . . . . . 24 VAL HB . 27962 1 103 . 1 . 1 28 28 VAL HG11 H 1 0.876 0.00 . . . . . . . 24 VAL HG1 . 27962 1 104 . 1 . 1 28 28 VAL HG12 H 1 0.876 0.00 . . . . . . . 24 VAL HG1 . 27962 1 105 . 1 . 1 28 28 VAL HG13 H 1 0.876 0.00 . . . . . . . 24 VAL HG1 . 27962 1 106 . 1 . 1 28 28 VAL HG21 H 1 0.873 0.00 . . . . . . . 24 VAL HG2 . 27962 1 107 . 1 . 1 28 28 VAL HG22 H 1 0.873 0.00 . . . . . . . 24 VAL HG2 . 27962 1 108 . 1 . 1 28 28 VAL HG23 H 1 0.873 0.00 . . . . . . . 24 VAL HG2 . 27962 1 109 . 1 . 1 28 28 VAL C C 13 176.093 0.00 . . . . . . . 24 VAL C . 27962 1 110 . 1 . 1 28 28 VAL CA C 13 62.595 0.04 . . . . . . . 24 VAL CA . 27962 1 111 . 1 . 1 28 28 VAL CB C 13 32.776 0.06 . . . . . . . 24 VAL CB . 27962 1 112 . 1 . 1 28 28 VAL N N 15 120.392 0.02 . . . . . . . 24 VAL N . 27962 1 113 . 1 . 1 29 29 ILE H H 1 8.180 0.00 . . . . . . . 25 ILE H . 27962 1 114 . 1 . 1 29 29 ILE HA H 1 4.085 0.00 . . . . . . . 25 ILE HA . 27962 1 115 . 1 . 1 29 29 ILE HB H 1 1.813 0.01 . . . . . . . 25 ILE HB . 27962 1 116 . 1 . 1 29 29 ILE HG12 H 1 1.422 0.01 . . . . . . . 25 ILE HG1 . 27962 1 117 . 1 . 1 29 29 ILE HG13 H 1 1.422 0.01 . . . . . . . 25 ILE HG1 . 27962 1 118 . 1 . 1 29 29 ILE HG21 H 1 0.848 0.00 . . . . . . . 25 ILE HG2 . 27962 1 119 . 1 . 1 29 29 ILE HG22 H 1 0.848 0.00 . . . . . . . 25 ILE HG2 . 27962 1 120 . 1 . 1 29 29 ILE HG23 H 1 0.848 0.00 . . . . . . . 25 ILE HG2 . 27962 1 121 . 1 . 1 29 29 ILE HD11 H 1 1.137 0.01 . . . . . . . 25 ILE HD1 . 27962 1 122 . 1 . 1 29 29 ILE HD12 H 1 1.137 0.01 . . . . . . . 25 ILE HD1 . 27962 1 123 . 1 . 1 29 29 ILE HD13 H 1 1.137 0.01 . . . . . . . 25 ILE HD1 . 27962 1 124 . 1 . 1 29 29 ILE C C 13 176.339 0.00 . . . . . . . 25 ILE C . 27962 1 125 . 1 . 1 29 29 ILE CA C 13 61.232 0.02 . . . . . . . 25 ILE CA . 27962 1 126 . 1 . 1 29 29 ILE CB C 13 38.528 0.03 . . . . . . . 25 ILE CB . 27962 1 127 . 1 . 1 29 29 ILE N N 15 124.797 0.03 . . . . . . . 25 ILE N . 27962 1 128 . 1 . 1 30 30 GLU H H 1 8.419 0.00 . . . . . . . 26 GLU H . 27962 1 129 . 1 . 1 30 30 GLU HA H 1 4.200 0.01 . . . . . . . 26 GLU HA . 27962 1 130 . 1 . 1 30 30 GLU HB2 H 1 1.917 0.00 . . . . . . . 26 GLU HB . 27962 1 131 . 1 . 1 30 30 GLU HB3 H 1 1.917 0.00 . . . . . . . 26 GLU HB . 27962 1 132 . 1 . 1 30 30 GLU HG2 H 1 2.203 0.00 . . . . . . . 26 GLU HG . 27962 1 133 . 1 . 1 30 30 GLU HG3 H 1 2.203 0.00 . . . . . . . 26 GLU HG . 27962 1 134 . 1 . 1 30 30 GLU C C 13 176.041 0.00 . . . . . . . 26 GLU C . 27962 1 135 . 1 . 1 30 30 GLU CA C 13 56.537 0.10 . . . . . . . 26 GLU CA . 27962 1 136 . 1 . 1 30 30 GLU CB C 13 30.372 0.05 . . . . . . . 26 GLU CB . 27962 1 137 . 1 . 1 30 30 GLU N N 15 125.182 0.03 . . . . . . . 26 GLU N . 27962 1 138 . 1 . 1 31 31 ALA H H 1 8.276 0.01 . . . . . . . 27 ALA H . 27962 1 139 . 1 . 1 31 31 ALA HA H 1 4.294 0.01 . . . . . . . 27 ALA HA . 27962 1 140 . 1 . 1 31 31 ALA HB1 H 1 1.331 0.00 . . . . . . . 27 ALA HB . 27962 1 141 . 1 . 1 31 31 ALA HB2 H 1 1.331 0.00 . . . . . . . 27 ALA HB . 27962 1 142 . 1 . 1 31 31 ALA HB3 H 1 1.331 0.00 . . . . . . . 27 ALA HB . 27962 1 143 . 1 . 1 31 31 ALA C C 13 177.778 0.00 . . . . . . . 27 ALA C . 27962 1 144 . 1 . 1 31 31 ALA CA C 13 52.475 0.04 . . . . . . . 27 ALA CA . 27962 1 145 . 1 . 1 31 31 ALA CB C 13 19.169 0.04 . . . . . . . 27 ALA CB . 27962 1 146 . 1 . 1 31 31 ALA N N 15 125.615 0.04 . . . . . . . 27 ALA N . 27962 1 147 . 1 . 1 32 32 VAL H H 1 8.135 0.00 . . . . . . . 28 VAL H . 27962 1 148 . 1 . 1 32 32 VAL HA H 1 4.067 0.00 . . . . . . . 28 VAL HA . 27962 1 149 . 1 . 1 32 32 VAL HB H 1 2.058 0.00 . . . . . . . 28 VAL HB . 27962 1 150 . 1 . 1 32 32 VAL HG11 H 1 0.919 0.00 . . . . . . . 28 VAL HG1 . 27962 1 151 . 1 . 1 32 32 VAL HG12 H 1 0.919 0.00 . . . . . . . 28 VAL HG1 . 27962 1 152 . 1 . 1 32 32 VAL HG13 H 1 0.919 0.00 . . . . . . . 28 VAL HG1 . 27962 1 153 . 1 . 1 32 32 VAL HG21 H 1 0.916 0.00 . . . . . . . 28 VAL HG2 . 27962 1 154 . 1 . 1 32 32 VAL HG22 H 1 0.916 0.00 . . . . . . . 28 VAL HG2 . 27962 1 155 . 1 . 1 32 32 VAL HG23 H 1 0.916 0.00 . . . . . . . 28 VAL HG2 . 27962 1 156 . 1 . 1 32 32 VAL C C 13 176.968 0.00 . . . . . . . 28 VAL C . 27962 1 157 . 1 . 1 32 32 VAL CA C 13 62.651 0.03 . . . . . . . 28 VAL CA . 27962 1 158 . 1 . 1 32 32 VAL CB C 13 32.636 0.05 . . . . . . . 28 VAL CB . 27962 1 159 . 1 . 1 32 32 VAL N N 15 119.623 0.02 . . . . . . . 28 VAL N . 27962 1 160 . 1 . 1 33 33 GLY H H 1 8.494 0.00 . . . . . . . 29 GLY H . 27962 1 161 . 1 . 1 33 33 GLY HA2 H 1 3.933 0.00 . . . . . . . 29 GLY HA . 27962 1 162 . 1 . 1 33 33 GLY HA3 H 1 3.933 0.00 . . . . . . . 29 GLY HA . 27962 1 163 . 1 . 1 33 33 GLY C C 13 174.695 0.00 . . . . . . . 29 GLY C . 27962 1 164 . 1 . 1 33 33 GLY CA C 13 45.380 0.03 . . . . . . . 29 GLY CA . 27962 1 165 . 1 . 1 33 33 GLY N N 15 112.486 0.03 . . . . . . . 29 GLY N . 27962 1 166 . 1 . 1 34 34 GLY H H 1 8.247 0.00 . . . . . . . 30 GLY H . 27962 1 167 . 1 . 1 34 34 GLY C C 13 174.135 0.00 . . . . . . . 30 GLY C . 27962 1 168 . 1 . 1 34 34 GLY CA C 13 45.366 0.05 . . . . . . . 30 GLY CA . 27962 1 169 . 1 . 1 34 34 GLY N N 15 108.436 0.01 . . . . . . . 30 GLY N . 27962 1 170 . 1 . 1 35 35 ASN H H 1 8.322 0.00 . . . . . . . 31 ASN H . 27962 1 171 . 1 . 1 35 35 ASN HD21 H 1 7.579 0.00 . . . . . . . 31 ASN HD21 . 27962 1 172 . 1 . 1 35 35 ASN HD22 H 1 6.896 0.00 . . . . . . . 31 ASN HD22 . 27962 1 173 . 1 . 1 35 35 ASN C C 13 175.100 0.00 . . . . . . . 31 ASN C . 27962 1 174 . 1 . 1 35 35 ASN CA C 13 53.214 0.01 . . . . . . . 31 ASN CA . 27962 1 175 . 1 . 1 35 35 ASN CB C 13 38.804 0.02 . . . . . . . 31 ASN CB . 27962 1 176 . 1 . 1 35 35 ASN N N 15 120.948 0.07 . . . . . . . 31 ASN N . 27962 1 177 . 1 . 1 35 35 ASN ND2 N 15 112.829 0.02 . . . . . . . 31 ASN ND2 . 27962 1 178 . 1 . 1 36 36 ILE H H 1 8.026 0.00 . . . . . . . 32 ILE H . 27962 1 179 . 1 . 1 36 36 ILE HB H 1 1.824 0.00 . . . . . . . 32 ILE HB . 27962 1 180 . 1 . 1 36 36 ILE HG12 H 1 1.390 0.00 . . . . . . . 32 ILE HG1 . 27962 1 181 . 1 . 1 36 36 ILE HG13 H 1 1.390 0.00 . . . . . . . 32 ILE HG1 . 27962 1 182 . 1 . 1 36 36 ILE C C 13 176.075 0.00 . . . . . . . 32 ILE C . 27962 1 183 . 1 . 1 36 36 ILE CA C 13 61.378 0.01 . . . . . . . 32 ILE CA . 27962 1 184 . 1 . 1 36 36 ILE CB C 13 38.622 0.03 . . . . . . . 32 ILE CB . 27962 1 185 . 1 . 1 36 36 ILE N N 15 120.982 0.02 . . . . . . . 32 ILE N . 27962 1 186 . 1 . 1 37 37 LYS H H 1 8.308 0.00 . . . . . . . 33 LYS H . 27962 1 187 . 1 . 1 37 37 LYS HA H 1 4.218 0.00 . . . . . . . 33 LYS HA . 27962 1 188 . 1 . 1 37 37 LYS HB2 H 1 1.657 0.00 . . . . . . . 33 LYS HB . 27962 1 189 . 1 . 1 37 37 LYS HB3 H 1 1.657 0.00 . . . . . . . 33 LYS HB . 27962 1 190 . 1 . 1 37 37 LYS C C 13 176.142 0.00 . . . . . . . 33 LYS C . 27962 1 191 . 1 . 1 37 37 LYS CA C 13 56.227 0.05 . . . . . . . 33 LYS CA . 27962 1 192 . 1 . 1 37 37 LYS CB C 13 32.868 0.05 . . . . . . . 33 LYS CB . 27962 1 193 . 1 . 1 37 37 LYS N N 15 125.294 0.04 . . . . . . . 33 LYS N . 27962 1 194 . 1 . 1 38 38 MET H H 1 8.212 0.00 . . . . . . . 34 MET H . 27962 1 195 . 1 . 1 38 38 MET HA H 1 4.324 0.00 . . . . . . . 34 MET HA . 27962 1 196 . 1 . 1 38 38 MET HE1 H 1 2.006 0.00 . . . . . . . 34 MET HE . 27962 1 197 . 1 . 1 38 38 MET HE2 H 1 2.006 0.00 . . . . . . . 34 MET HE . 27962 1 198 . 1 . 1 38 38 MET HE3 H 1 2.006 0.00 . . . . . . . 34 MET HE . 27962 1 199 . 1 . 1 38 38 MET C C 13 175.617 0.00 . . . . . . . 34 MET C . 27962 1 200 . 1 . 1 38 38 MET CA C 13 55.505 0.02 . . . . . . . 34 MET CA . 27962 1 201 . 1 . 1 38 38 MET CB C 13 32.968 0.04 . . . . . . . 34 MET CB . 27962 1 202 . 1 . 1 38 38 MET CE C 13 16.875 0.00 . . . . . . . 34 MET CE . 27962 1 203 . 1 . 1 38 38 MET N N 15 121.540 0.02 . . . . . . . 34 MET N . 27962 1 204 . 1 . 1 39 39 PHE H H 1 8.146 0.00 . . . . . . . 35 PHE H . 27962 1 205 . 1 . 1 39 39 PHE HA H 1 4.624 0.01 . . . . . . . 35 PHE HA . 27962 1 206 . 1 . 1 39 39 PHE HB2 H 1 3.175 0.00 . . . . . . . 35 PHE HB2 . 27962 1 207 . 1 . 1 39 39 PHE HB3 H 1 2.958 0.00 . . . . . . . 35 PHE HB3 . 27962 1 208 . 1 . 1 39 39 PHE C C 13 174.578 0.00 . . . . . . . 35 PHE C . 27962 1 209 . 1 . 1 39 39 PHE CA C 13 57.558 0.03 . . . . . . . 35 PHE CA . 27962 1 210 . 1 . 1 39 39 PHE CB C 13 39.487 0.01 . . . . . . . 35 PHE CB . 27962 1 211 . 1 . 1 39 39 PHE N N 15 120.666 0.01 . . . . . . . 35 PHE N . 27962 1 212 . 1 . 1 40 40 GLN H H 1 7.825 0.00 . . . . . . . 36 GLN H . 27962 1 213 . 1 . 1 40 40 GLN HA H 1 4.097 0.00 . . . . . . . 36 GLN HA . 27962 1 214 . 1 . 1 40 40 GLN HB2 H 1 2.040 0.00 . . . . . . . 36 GLN HB2 . 27962 1 215 . 1 . 1 40 40 GLN HB3 H 1 1.870 0.00 . . . . . . . 36 GLN HB3 . 27962 1 216 . 1 . 1 40 40 GLN HG2 H 1 2.212 0.00 . . . . . . . 36 GLN HG . 27962 1 217 . 1 . 1 40 40 GLN HG3 H 1 2.212 0.00 . . . . . . . 36 GLN HG . 27962 1 218 . 1 . 1 40 40 GLN HE21 H 1 7.500 0.00 . . . . . . . 36 GLN HE21 . 27962 1 219 . 1 . 1 40 40 GLN HE22 H 1 6.797 0.00 . . . . . . . 36 GLN HE22 . 27962 1 220 . 1 . 1 40 40 GLN CA C 13 57.410 0.05 . . . . . . . 36 GLN CA . 27962 1 221 . 1 . 1 40 40 GLN CB C 13 30.547 0.01 . . . . . . . 36 GLN CB . 27962 1 222 . 1 . 1 40 40 GLN CG C 13 34.227 0.00 . . . . . . . 36 GLN CG . 27962 1 223 . 1 . 1 40 40 GLN N N 15 125.970 0.02 . . . . . . . 36 GLN N . 27962 1 224 . 1 . 1 40 40 GLN NE2 N 15 112.265 0.05 . . . . . . . 36 GLN NE2 . 27962 1 stop_ save_