################################### # 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 27206 _Assigned_chem_shift_list.ID 1 _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 '3D CBCA(CO)NH' . . . 27206 1 2 '2D 1H-1H TOCSY' . . . 27206 1 3 '3D CBCANH' . . . 27206 1 4 '3D hNcaNH' . . . 27206 1 5 '2D 1H-1H NOESY' . . . 27206 1 6 '3D 1H-15N NOESY' . . . 27206 1 7 '3D 1H-15N TOCSY' . . . 27206 1 8 '2D 1H-15N HSQC' . . . 27206 1 9 '2D 1H-15N HSQC' . . . 27206 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.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 3 3 GLY H H 1 8.751 0.002 . 1 . . . . . 3 Gly H . 27206 1 2 . 1 1 3 3 GLY CA C 13 45.477 0.030 . 1 . . . . . 3 Gly CA . 27206 1 3 . 1 1 3 3 GLY N N 15 110.456 0.003 . 1 . . . . . 3 Gly N . 27206 1 4 . 1 1 4 4 SER H H 1 8.242 0.002 . 1 . . . . . 4 Ser H . 27206 1 5 . 1 1 4 4 SER CA C 13 58.741 0.014 . 1 . . . . . 4 Ser CA . 27206 1 6 . 1 1 4 4 SER CB C 13 63.725 0.031 . 1 . . . . . 4 Ser CB . 27206 1 7 . 1 1 4 4 SER N N 15 115.893 0.034 . 1 . . . . . 4 Ser N . 27206 1 8 . 1 1 5 5 GLU H H 1 8.677 0.002 . 1 . . . . . 5 Glu H . 27206 1 9 . 1 1 5 5 GLU HA H 1 4.285 0.007 . 1 . . . . . 5 Glu HA . 27206 1 10 . 1 1 5 5 GLU CA C 13 57.332 0.013 . 1 . . . . . 5 Glu CA . 27206 1 11 . 1 1 5 5 GLU CB C 13 29.873 0.026 . 1 . . . . . 5 Glu CB . 27206 1 12 . 1 1 5 5 GLU CG C 13 35.869 0.000 . 1 . . . . . 5 Glu CG . 27206 1 13 . 1 1 5 5 GLU N N 15 122.952 0.033 . 1 . . . . . 5 Glu N . 27206 1 14 . 1 1 6 6 ASN H H 1 8.419 0.003 . 1 . . . . . 6 Asn H . 27206 1 15 . 1 1 6 6 ASN CA C 13 53.813 0.035 . 1 . . . . . 6 Asn CA . 27206 1 16 . 1 1 6 6 ASN CB C 13 38.737 0.014 . 1 . . . . . 6 Asn CB . 27206 1 17 . 1 1 6 6 ASN N N 15 119.606 0.027 . 1 . . . . . 6 Asn N . 27206 1 18 . 1 1 7 7 ALA H H 1 8.380 0.004 . 1 . . . . . 7 Ala H . 27206 1 19 . 1 1 7 7 ALA HA H 1 4.157 0.000 . 1 . . . . . 7 Ala HA . 27206 1 20 . 1 1 7 7 ALA CA C 13 54.160 0.000 . 1 . . . . . 7 Ala CA . 27206 1 21 . 1 1 7 7 ALA CB C 13 18.928 0.022 . 1 . . . . . 7 Ala CB . 27206 1 22 . 1 1 7 7 ALA N N 15 124.834 0.018 . 1 . . . . . 7 Ala N . 27206 1 23 . 1 1 8 8 GLU H H 1 8.334 0.002 . 1 . . . . . 8 Glu H . 27206 1 24 . 1 1 8 8 GLU HA H 1 4.166 0.000 . 1 . . . . . 8 Glu HA . 27206 1 25 . 1 1 8 8 GLU CA C 13 57.874 0.017 . 1 . . . . . 8 Glu CA . 27206 1 26 . 1 1 8 8 GLU CB C 13 29.518 0.019 . 1 . . . . . 8 Glu CB . 27206 1 27 . 1 1 8 8 GLU CG C 13 36.163 0.000 . 1 . . . . . 8 Glu CG . 27206 1 28 . 1 1 8 8 GLU N N 15 118.856 0.030 . 1 . . . . . 8 Glu N . 27206 1 29 . 1 1 9 9 LEU H H 1 7.980 0.002 . 1 . . . . . 9 Leu H . 27206 1 30 . 1 1 9 9 LEU HA H 1 4.193 0.000 . 1 . . . . . 9 Leu HA . 27206 1 31 . 1 1 9 9 LEU CA C 13 56.533 0.010 . 1 . . . . . 9 Leu CA . 27206 1 32 . 1 1 9 9 LEU CB C 13 41.917 0.002 . 1 . . . . . 9 Leu CB . 27206 1 33 . 1 1 9 9 LEU CG C 13 26.887 0.000 . 1 . . . . . 9 Leu CG . 27206 1 34 . 1 1 9 9 LEU CD1 C 13 24.618 0.000 . 2 . . . . . 9 Leu CD1 . 27206 1 35 . 1 1 9 9 LEU CD2 C 13 23.690 0.000 . 2 . . . . . 9 Leu CD2 . 27206 1 36 . 1 1 9 9 LEU N N 15 121.509 0.032 . 1 . . . . . 9 Leu N . 27206 1 37 . 1 1 10 10 ARG H H 1 8.052 0.003 . 1 . . . . . 10 Arg H . 27206 1 38 . 1 1 10 10 ARG HA H 1 4.194 0.000 . 1 . . . . . 10 Arg HA . 27206 1 39 . 1 1 10 10 ARG CA C 13 57.551 0.024 . 1 . . . . . 10 Arg CA . 27206 1 40 . 1 1 10 10 ARG CB C 13 30.229 0.008 . 1 . . . . . 10 Arg CB . 27206 1 41 . 1 1 10 10 ARG CG C 13 27.306 0.000 . 1 . . . . . 10 Arg CG . 27206 1 42 . 1 1 10 10 ARG CD C 13 43.202 0.000 . 1 . . . . . 10 Arg CD . 27206 1 43 . 1 1 10 10 ARG N N 15 119.584 0.044 . 1 . . . . . 10 Arg N . 27206 1 44 . 1 1 11 11 ARG H H 1 7.996 0.002 . 1 . . . . . 11 Arg H . 27206 1 45 . 1 1 11 11 ARG HA H 1 4.188 0.000 . 1 . . . . . 11 Arg HA . 27206 1 46 . 1 1 11 11 ARG CA C 13 57.482 0.025 . 1 . . . . . 11 Arg CA . 27206 1 47 . 1 1 11 11 ARG CB C 13 30.601 0.040 . 1 . . . . . 11 Arg CB . 27206 1 48 . 1 1 11 11 ARG CD C 13 43.306 0.000 . 1 . . . . . 11 Arg CD . 27206 1 49 . 1 1 11 11 ARG N N 15 120.040 0.026 . 1 . . . . . 11 Arg N . 27206 1 50 . 1 1 12 12 LYS H H 1 8.110 0.003 . 1 . . . . . 12 Lys H . 27206 1 51 . 1 1 12 12 LYS HA H 1 4.211 0.002 . 1 . . . . . 12 Lys HA . 27206 1 52 . 1 1 12 12 LYS CB C 13 32.905 0.037 . 1 . . . . . 12 Lys CB . 27206 1 53 . 1 1 12 12 LYS CG C 13 24.555 0.000 . 1 . . . . . 12 Lys CG . 27206 1 54 . 1 1 12 12 LYS CD C 13 28.369 0.000 . 1 . . . . . 12 Lys CD . 27206 1 55 . 1 1 12 12 LYS CE C 13 41.873 0.000 . 1 . . . . . 12 Lys CE . 27206 1 56 . 1 1 12 12 LYS N N 15 121.155 0.026 . 1 . . . . . 12 Lys N . 27206 1 57 . 1 1 13 13 LEU H H 1 8.129 0.007 . 1 . . . . . 13 Leu H . 27206 1 58 . 1 1 13 13 LEU HA H 1 4.301 0.004 . 1 . . . . . 13 Leu HA . 27206 1 59 . 1 1 13 13 LEU CA C 13 55.845 0.012 . 1 . . . . . 13 Leu CA . 27206 1 60 . 1 1 13 13 LEU CB C 13 42.203 0.004 . 1 . . . . . 13 Leu CB . 27206 1 61 . 1 1 13 13 LEU CG C 13 26.839 0.000 . 1 . . . . . 13 Leu CG . 27206 1 62 . 1 1 13 13 LEU CD1 C 13 24.504 0.000 . 1 . . . . . 13 Leu CD1 . 27206 1 63 . 1 1 13 13 LEU N N 15 122.523 0.057 . 1 . . . . . 13 Leu N . 27206 1 64 . 1 1 14 14 ILE H H 1 8.051 0.006 . 1 . . . . . 14 Ile H . 27206 1 65 . 1 1 14 14 ILE HA H 1 4.089 0.000 . 1 . . . . . 14 Ile HA . 27206 1 66 . 1 1 14 14 ILE CA C 13 61.834 0.001 . 1 . . . . . 14 Ile CA . 27206 1 67 . 1 1 14 14 ILE CB C 13 38.334 0.010 . 1 . . . . . 14 Ile CB . 27206 1 68 . 1 1 14 14 ILE N N 15 121.698 0.055 . 1 . . . . . 14 Ile N . 27206 1 69 . 1 1 15 15 ARG H H 1 8.326 0.003 . 1 . . . . . 15 Arg H . 27206 1 70 . 1 1 15 15 ARG HA H 1 4.370 0.000 . 1 . . . . . 15 Arg HA . 27206 1 71 . 1 1 15 15 ARG CA C 13 56.678 0.003 . 1 . . . . . 15 Arg CA . 27206 1 72 . 1 1 15 15 ARG CB C 13 30.794 0.017 . 1 . . . . . 15 Arg CB . 27206 1 73 . 1 1 15 15 ARG N N 15 124.323 0.021 . 1 . . . . . 15 Arg N . 27206 1 74 . 1 1 16 16 THR H H 1 8.154 0.009 . 1 . . . . . 16 Thr H . 27206 1 75 . 1 1 16 16 THR CA C 13 62.476 0.024 . 1 . . . . . 16 Thr CA . 27206 1 76 . 1 1 16 16 THR CB C 13 69.826 0.009 . 1 . . . . . 16 Thr CB . 27206 1 77 . 1 1 16 16 THR CG2 C 13 22.115 0.000 . 1 . . . . . 16 Thr CG2 . 27206 1 78 . 1 1 16 16 THR N N 15 115.563 0.015 . 1 . . . . . 16 Thr N . 27206 1 79 . 1 1 17 17 LYS H H 1 8.313 0.006 . 1 . . . . . 17 Lys H . 27206 1 80 . 1 1 17 17 LYS HA H 1 4.285 0.000 . 1 . . . . . 17 Lys HA . 27206 1 81 . 1 1 17 17 LYS CA C 13 56.933 0.027 . 1 . . . . . 17 Lys CA . 27206 1 82 . 1 1 17 17 LYS CB C 13 33.024 0.030 . 1 . . . . . 17 Lys CB . 27206 1 83 . 1 1 17 17 LYS CG C 13 24.879 0.000 . 1 . . . . . 17 Lys CG . 27206 1 84 . 1 1 17 17 LYS CD C 13 28.654 0.000 . 1 . . . . . 17 Lys CD . 27206 1 85 . 1 1 17 17 LYS CE C 13 42.144 0.000 . 1 . . . . . 17 Lys CE . 27206 1 86 . 1 1 17 17 LYS N N 15 123.805 0.066 . 1 . . . . . 17 Lys N . 27206 1 87 . 1 1 18 18 ARG H H 1 8.360 0.003 . 1 . . . . . 18 Arg H . 27206 1 88 . 1 1 18 18 ARG HA H 1 4.287 0.000 . 1 . . . . . 18 Arg HA . 27206 1 89 . 1 1 18 18 ARG CA C 13 56.399 0.028 . 1 . . . . . 18 Arg CA . 27206 1 90 . 1 1 18 18 ARG CB C 13 30.812 0.000 . 1 . . . . . 18 Arg CB . 27206 1 91 . 1 1 18 18 ARG CG C 13 26.870 0.000 . 1 . . . . . 18 Arg CG . 27206 1 92 . 1 1 18 18 ARG CD C 13 43.073 0.000 . 1 . . . . . 18 Arg CD . 27206 1 93 . 1 1 18 18 ARG N N 15 122.285 0.036 . 1 . . . . . 18 Arg N . 27206 1 94 . 1 1 19 19 ALA H H 1 8.294 0.004 . 1 . . . . . 19 Ala H . 27206 1 95 . 1 1 19 19 ALA HA H 1 4.257 0.010 . 1 . . . . . 19 Ala HA . 27206 1 96 . 1 1 19 19 ALA CA C 13 53.066 0.000 . 1 . . . . . 19 Ala CA . 27206 1 97 . 1 1 19 19 ALA CB C 13 19.081 0.011 . 1 . . . . . 19 Ala CB . 27206 1 98 . 1 1 19 19 ALA N N 15 124.694 0.041 . 1 . . . . . 19 Ala N . 27206 1 99 . 1 1 20 20 PHE H H 1 8.156 0.005 . 1 . . . . . 20 Phe H . 27206 1 100 . 1 1 20 20 PHE HA H 1 4.549 0.001 . 1 . . . . . 20 Phe HA . 27206 1 101 . 1 1 20 20 PHE CA C 13 58.328 0.014 . 1 . . . . . 20 Phe CA . 27206 1 102 . 1 1 20 20 PHE CB C 13 39.399 0.006 . 1 . . . . . 20 Phe CB . 27206 1 103 . 1 1 20 20 PHE N N 15 118.758 0.042 . 1 . . . . . 20 Phe N . 27206 1 104 . 1 1 21 21 GLU H H 1 8.333 0.006 . 1 . . . . . 21 Glu H . 27206 1 105 . 1 1 21 21 GLU HA H 1 4.204 0.001 . 1 . . . . . 21 Glu HA . 27206 1 106 . 1 1 21 21 GLU CA C 13 57.166 0.053 . 1 . . . . . 21 Glu CA . 27206 1 107 . 1 1 21 21 GLU CB C 13 30.342 0.003 . 1 . . . . . 21 Glu CB . 27206 1 108 . 1 1 21 21 GLU CG C 13 36.274 0.000 . 1 . . . . . 21 Glu CG . 27206 1 109 . 1 1 21 21 GLU N N 15 121.626 0.058 . 1 . . . . . 21 Glu N . 27206 1 110 . 1 1 22 22 ASP H H 1 8.370 0.006 . 1 . . . . . 22 Asp H . 27206 1 111 . 1 1 22 22 ASP HA H 1 4.606 0.004 . 1 . . . . . 22 Asp HA . 27206 1 112 . 1 1 22 22 ASP CA C 13 54.900 0.025 . 1 . . . . . 22 Asp CA . 27206 1 113 . 1 1 22 22 ASP CB C 13 41.227 0.000 . 1 . . . . . 22 Asp CB . 27206 1 114 . 1 1 22 22 ASP N N 15 121.413 0.024 . 1 . . . . . 22 Asp N . 27206 1 115 . 1 1 23 23 THR H H 1 8.040 0.004 . 1 . . . . . 23 Thr H . 27206 1 116 . 1 1 23 23 THR CA C 13 63.712 0.013 . 1 . . . . . 23 Thr CA . 27206 1 117 . 1 1 23 23 THR CB C 13 69.428 0.054 . 1 . . . . . 23 Thr CB . 27206 1 118 . 1 1 23 23 THR N N 15 114.826 0.031 . 1 . . . . . 23 Thr N . 27206 1 119 . 1 1 24 24 TYR H H 1 8.213 0.006 . 1 . . . . . 24 Tyr H . 27206 1 120 . 1 1 24 24 TYR CA C 13 59.883 0.001 . 1 . . . . . 24 Tyr CA . 27206 1 121 . 1 1 24 24 TYR CB C 13 38.117 0.004 . 1 . . . . . 24 Tyr CB . 27206 1 122 . 1 1 24 24 TYR N N 15 121.855 0.044 . 1 . . . . . 24 Tyr N . 27206 1 123 . 1 1 25 25 GLU H H 1 8.296 0.005 . 1 . . . . . 25 Glu H . 27206 1 124 . 1 1 25 25 GLU HA H 1 4.108 0.006 . 1 . . . . . 25 Glu HA . 27206 1 125 . 1 1 25 25 GLU CA C 13 58.259 0.013 . 1 . . . . . 25 Glu CA . 27206 1 126 . 1 1 25 25 GLU CB C 13 29.736 0.017 . 1 . . . . . 25 Glu CB . 27206 1 127 . 1 1 25 25 GLU CG C 13 35.599 0.000 . 1 . . . . . 25 Glu CG . 27206 1 128 . 1 1 25 25 GLU N N 15 121.029 0.038 . 1 . . . . . 25 Glu N . 27206 1 129 . 1 1 26 26 LYS H H 1 8.025 0.004 . 1 . . . . . 26 Lys H . 27206 1 130 . 1 1 26 26 LYS CB C 13 32.505 0.002 . 1 . . . . . 26 Lys CB . 27206 1 131 . 1 1 26 26 LYS CG C 13 24.776 0.000 . 1 . . . . . 26 Lys CG . 27206 1 132 . 1 1 26 26 LYS CD C 13 29.361 0.000 . 1 . . . . . 26 Lys CD . 27206 1 133 . 1 1 26 26 LYS CE C 13 41.884 0.000 . 1 . . . . . 26 Lys CE . 27206 1 134 . 1 1 26 26 LYS N N 15 120.061 0.034 . 1 . . . . . 26 Lys N . 27206 1 135 . 1 1 27 27 LEU H H 1 7.981 0.006 . 1 . . . . . 27 Leu H . 27206 1 136 . 1 1 27 27 LEU HA H 1 4.213 0.000 . 1 . . . . . 27 Leu HA . 27206 1 137 . 1 1 27 27 LEU CA C 13 56.629 0.023 . 1 . . . . . 27 Leu CA . 27206 1 138 . 1 1 27 27 LEU CB C 13 41.921 0.009 . 1 . . . . . 27 Leu CB . 27206 1 139 . 1 1 27 27 LEU CG C 13 26.530 0.000 . 1 . . . . . 27 Leu CG . 27206 1 140 . 1 1 27 27 LEU CD1 C 13 24.983 0.000 . 2 . . . . . 27 Leu CD1 . 27206 1 141 . 1 1 27 27 LEU CD2 C 13 23.425 0.000 . 2 . . . . . 27 Leu CD2 . 27206 1 142 . 1 1 27 27 LEU N N 15 121.049 0.052 . 1 . . . . . 27 Leu N . 27206 1 143 . 1 1 28 28 ARG H H 1 8.076 0.004 . 1 . . . . . 28 Arg H . 27206 1 144 . 1 1 28 28 ARG HA H 1 4.144 0.010 . 1 . . . . . 28 Arg HA . 27206 1 145 . 1 1 28 28 ARG CA C 13 57.850 0.008 . 1 . . . . . 28 Arg CA . 27206 1 146 . 1 1 28 28 ARG CB C 13 30.340 0.003 . 1 . . . . . 28 Arg CB . 27206 1 147 . 1 1 28 28 ARG CG C 13 27.575 0.000 . 1 . . . . . 28 Arg CG . 27206 1 148 . 1 1 28 28 ARG CD C 13 43.426 0.000 . 1 . . . . . 28 Arg CD . 27206 1 149 . 1 1 28 28 ARG N N 15 120.415 0.055 . 1 . . . . . 28 Arg N . 27206 1 150 . 1 1 29 29 MET H H 1 8.130 0.004 . 1 . . . . . 29 Met H . 27206 1 151 . 1 1 29 29 MET HA H 1 4.361 0.000 . 1 . . . . . 29 Met HA . 27206 1 152 . 1 1 29 29 MET CA C 13 56.503 0.045 . 1 . . . . . 29 Met CA . 27206 1 153 . 1 1 29 29 MET CB C 13 32.526 0.021 . 1 . . . . . 29 Met CB . 27206 1 154 . 1 1 29 29 MET N N 15 119.181 0.029 . 1 . . . . . 29 Met N . 27206 1 155 . 1 1 30 30 ALA H H 1 8.084 0.003 . 1 . . . . . 30 Ala H . 27206 1 156 . 1 1 30 30 ALA HA H 1 4.262 0.003 . 1 . . . . . 30 Ala HA . 27206 1 157 . 1 1 30 30 ALA CA C 13 53.497 0.011 . 1 . . . . . 30 Ala CA . 27206 1 158 . 1 1 30 30 ALA CB C 13 18.821 0.011 . 1 . . . . . 30 Ala CB . 27206 1 159 . 1 1 30 30 ALA N N 15 123.930 0.025 . 1 . . . . . 30 Ala N . 27206 1 160 . 1 1 31 31 ASN H H 1 8.282 0.016 . 1 . . . . . 31 Asn H . 27206 1 161 . 1 1 31 31 ASN HA H 1 4.643 0.000 . 1 . . . . . 31 Asn HA . 27206 1 162 . 1 1 31 31 ASN CA C 13 53.944 0.010 . 1 . . . . . 31 Asn CA . 27206 1 163 . 1 1 31 31 ASN CB C 13 38.549 0.005 . 1 . . . . . 31 Asn CB . 27206 1 164 . 1 1 31 31 ASN N N 15 117.459 0.277 . 1 . . . . . 31 Asn N . 27206 1 165 . 1 1 32 32 LYS H H 1 8.117 0.008 . 1 . . . . . 32 Lys H . 27206 1 166 . 1 1 32 32 LYS CA C 13 57.209 0.047 . 1 . . . . . 32 Lys CA . 27206 1 167 . 1 1 32 32 LYS CB C 13 32.884 0.002 . 1 . . . . . 32 Lys CB . 27206 1 168 . 1 1 32 32 LYS CG C 13 24.322 0.000 . 1 . . . . . 32 Lys CG . 27206 1 169 . 1 1 32 32 LYS CE C 13 41.909 0.000 . 1 . . . . . 32 Lys CE . 27206 1 170 . 1 1 32 32 LYS N N 15 121.799 0.023 . 1 . . . . . 32 Lys N . 27206 1 171 . 1 1 33 33 ALA H H 1 8.150 0.004 . 1 . . . . . 33 Ala H . 27206 1 172 . 1 1 33 33 ALA HA H 1 4.263 0.000 . 1 . . . . . 33 Ala HA . 27206 1 173 . 1 1 33 33 ALA CA C 13 53.129 0.033 . 1 . . . . . 33 Ala CA . 27206 1 174 . 1 1 33 33 ALA CB C 13 18.965 0.059 . 1 . . . . . 33 Ala CB . 27206 1 175 . 1 1 33 33 ALA N N 15 123.951 0.024 . 1 . . . . . 33 Ala N . 27206 1 176 . 1 1 34 34 LYS H H 1 8.114 0.004 . 1 . . . . . 34 Lys H . 27206 1 177 . 1 1 34 34 LYS HA H 1 4.268 0.000 . 1 . . . . . 34 Lys HA . 27206 1 178 . 1 1 34 34 LYS CA C 13 57.018 0.077 . 1 . . . . . 34 Lys CA . 27206 1 179 . 1 1 34 34 LYS CB C 13 32.955 0.027 . 1 . . . . . 34 Lys CB . 27206 1 180 . 1 1 34 34 LYS CG C 13 24.810 0.000 . 1 . . . . . 34 Lys CG . 27206 1 181 . 1 1 34 34 LYS CE C 13 42.212 0.000 . 1 . . . . . 34 Lys CE . 27206 1 182 . 1 1 34 34 LYS N N 15 120.227 0.030 . 1 . . . . . 34 Lys N . 27206 1 183 . 1 1 35 35 ALA H H 1 8.182 0.002 . 1 . . . . . 35 Ala H . 27206 1 184 . 1 1 35 35 ALA HA H 1 4.245 0.000 . 1 . . . . . 35 Ala HA . 27206 1 185 . 1 1 35 35 ALA CA C 13 53.037 0.011 . 1 . . . . . 35 Ala CA . 27206 1 186 . 1 1 35 35 ALA CB C 13 19.044 0.017 . 1 . . . . . 35 Ala CB . 27206 1 187 . 1 1 35 35 ALA N N 15 123.997 0.032 . 1 . . . . . 35 Ala N . 27206 1 188 . 1 1 36 36 GLN H H 1 8.232 0.003 . 1 . . . . . 36 Gln H . 27206 1 189 . 1 1 36 36 GLN HA H 1 4.287 0.001 . 1 . . . . . 36 Gln HA . 27206 1 190 . 1 1 36 36 GLN CA C 13 56.253 0.040 . 1 . . . . . 36 Gln CA . 27206 1 191 . 1 1 36 36 GLN CB C 13 29.311 0.012 . 1 . . . . . 36 Gln CB . 27206 1 192 . 1 1 36 36 GLN CG C 13 33.605 0.000 . 1 . . . . . 36 Gln CG . 27206 1 193 . 1 1 36 36 GLN N N 15 119.564 0.026 . 1 . . . . . 36 Gln N . 27206 1 194 . 1 1 37 37 VAL H H 1 8.092 0.003 . 1 . . . . . 37 Val H . 27206 1 195 . 1 1 37 37 VAL HA H 1 4.077 0.001 . 1 . . . . . 37 Val HA . 27206 1 196 . 1 1 37 37 VAL CA C 13 63.129 0.007 . 1 . . . . . 37 Val CA . 27206 1 197 . 1 1 37 37 VAL CB C 13 32.686 0.065 . 1 . . . . . 37 Val CB . 27206 1 198 . 1 1 37 37 VAL CG1 C 13 20.644 0.000 . 2 . . . . . 37 Val CG1 . 27206 1 199 . 1 1 37 37 VAL CG2 C 13 20.410 0.000 . 2 . . . . . 37 Val CG2 . 27206 1 200 . 1 1 37 37 VAL N N 15 120.999 0.028 . 1 . . . . . 37 Val N . 27206 1 201 . 1 1 38 38 GLU H H 1 8.405 0.007 . 1 . . . . . 38 Glu H . 27206 1 202 . 1 1 38 38 GLU HA H 1 4.232 0.000 . 1 . . . . . 38 Glu HA . 27206 1 203 . 1 1 38 38 GLU CA C 13 57.280 0.016 . 1 . . . . . 38 Glu CA . 27206 1 204 . 1 1 38 38 GLU CB C 13 30.101 0.003 . 1 . . . . . 38 Glu CB . 27206 1 205 . 1 1 38 38 GLU CG C 13 36.157 0.000 . 1 . . . . . 38 Glu CG . 27206 1 206 . 1 1 38 38 GLU N N 15 123.495 0.030 . 1 . . . . . 38 Glu N . 27206 1 207 . 1 1 39 39 LYS H H 1 8.221 0.002 . 1 . . . . . 39 Lys H . 27206 1 208 . 1 1 39 39 LYS HA H 1 4.229 0.000 . 1 . . . . . 39 Lys HA . 27206 1 209 . 1 1 39 39 LYS CB C 13 33.075 0.014 . 1 . . . . . 39 Lys CB . 27206 1 210 . 1 1 39 39 LYS CG C 13 24.613 0.000 . 1 . . . . . 39 Lys CG . 27206 1 211 . 1 1 39 39 LYS CD C 13 28.424 0.000 . 1 . . . . . 39 Lys CD . 27206 1 212 . 1 1 39 39 LYS CE C 13 42.058 0.000 . 1 . . . . . 39 Lys CE . 27206 1 213 . 1 1 39 39 LYS N N 15 121.657 0.031 . 1 . . . . . 39 Lys N . 27206 1 214 . 1 1 40 40 ASP H H 1 8.336 0.008 . 1 . . . . . 40 Asp H . 27206 1 215 . 1 1 40 40 ASP HA H 1 4.608 0.000 . 1 . . . . . 40 Asp HA . 27206 1 216 . 1 1 40 40 ASP CA C 13 54.847 0.020 . 1 . . . . . 40 Asp CA . 27206 1 217 . 1 1 40 40 ASP CB C 13 41.034 0.018 . 1 . . . . . 40 Asp CB . 27206 1 218 . 1 1 40 40 ASP N N 15 121.161 0.032 . 1 . . . . . 40 Asp N . 27206 1 219 . 1 1 41 41 ILE H H 1 8.089 0.005 . 1 . . . . . 41 Ile H . 27206 1 220 . 1 1 41 41 ILE HA H 1 4.078 0.002 . 1 . . . . . 41 Ile HA . 27206 1 221 . 1 1 41 41 ILE CA C 13 62.250 0.036 . 1 . . . . . 41 Ile CA . 27206 1 222 . 1 1 41 41 ILE CB C 13 38.345 0.012 . 1 . . . . . 41 Ile CB . 27206 1 223 . 1 1 41 41 ILE CG1 C 13 27.457 0.000 . 1 . . . . . 41 Ile CG1 . 27206 1 224 . 1 1 41 41 ILE CG2 C 13 17.529 0.000 . 1 . . . . . 41 Ile CG2 . 27206 1 225 . 1 1 41 41 ILE CD1 C 13 13.319 0.000 . 1 . . . . . 41 Ile CD1 . 27206 1 226 . 1 1 41 41 ILE N N 15 121.435 0.019 . 1 . . . . . 41 Ile N . 27206 1 227 . 1 1 42 42 LYS H H 1 8.284 0.002 . 1 . . . . . 42 Lys H . 27206 1 228 . 1 1 42 42 LYS HA H 1 4.229 0.002 . 1 . . . . . 42 Lys HA . 27206 1 229 . 1 1 42 42 LYS CA C 13 57.370 0.008 . 1 . . . . . 42 Lys CA . 27206 1 230 . 1 1 42 42 LYS CB C 13 32.529 0.009 . 1 . . . . . 42 Lys CB . 27206 1 231 . 1 1 42 42 LYS CG C 13 24.317 0.000 . 1 . . . . . 42 Lys CG . 27206 1 232 . 1 1 42 42 LYS CE C 13 41.785 0.000 . 1 . . . . . 42 Lys CE . 27206 1 233 . 1 1 42 42 LYS N N 15 123.222 0.028 . 1 . . . . . 42 Lys N . 27206 1 234 . 1 1 43 43 ASN H H 1 8.264 0.002 . 1 . . . . . 43 Asn H . 27206 1 235 . 1 1 43 43 ASN CA C 13 53.777 0.018 . 1 . . . . . 43 Asn CA . 27206 1 236 . 1 1 43 43 ASN CB C 13 38.750 0.015 . 1 . . . . . 43 Asn CB . 27206 1 237 . 1 1 43 43 ASN N N 15 118.203 0.038 . 1 . . . . . 43 Asn N . 27206 1 238 . 1 1 44 44 GLN H H 1 8.194 0.002 . 1 . . . . . 44 Gln H . 27206 1 239 . 1 1 44 44 GLN HA H 1 4.288 0.000 . 1 . . . . . 44 Gln HA . 27206 1 240 . 1 1 44 44 GLN CA C 13 56.516 0.002 . 1 . . . . . 44 Gln CA . 27206 1 241 . 1 1 44 44 GLN CB C 13 29.259 0.005 . 1 . . . . . 44 Gln CB . 27206 1 242 . 1 1 44 44 GLN CG C 13 33.549 0.000 . 1 . . . . . 44 Gln CG . 27206 1 243 . 1 1 44 44 GLN N N 15 120.357 0.029 . 1 . . . . . 44 Gln N . 27206 1 244 . 1 1 45 45 ILE H H 1 8.145 0.002 . 1 . . . . . 45 Ile H . 27206 1 245 . 1 1 45 45 ILE HA H 1 4.085 0.003 . 1 . . . . . 45 Ile HA . 27206 1 246 . 1 1 45 45 ILE CA C 13 61.855 0.007 . 1 . . . . . 45 Ile CA . 27206 1 247 . 1 1 45 45 ILE CB C 13 38.327 0.029 . 1 . . . . . 45 Ile CB . 27206 1 248 . 1 1 45 45 ILE N N 15 121.758 0.031 . 1 . . . . . 45 Ile N . 27206 1 249 . 1 1 46 46 LEU H H 1 8.202 0.002 . 1 . . . . . 46 Leu H . 27206 1 250 . 1 1 46 46 LEU HA H 1 4.346 0.000 . 1 . . . . . 46 Leu HA . 27206 1 251 . 1 1 46 46 LEU CA C 13 55.359 0.019 . 1 . . . . . 46 Leu CA . 27206 1 252 . 1 1 46 46 LEU CB C 13 42.324 0.003 . 1 . . . . . 46 Leu CB . 27206 1 253 . 1 1 46 46 LEU CG C 13 26.898 0.000 . 1 . . . . . 46 Leu CG . 27206 1 254 . 1 1 46 46 LEU CD1 C 13 24.433 0.000 . 2 . . . . . 46 Leu CD1 . 27206 1 255 . 1 1 46 46 LEU CD2 C 13 22.929 0.000 . 2 . . . . . 46 Leu CD2 . 27206 1 256 . 1 1 46 46 LEU N N 15 125.317 0.031 . 1 . . . . . 46 Leu N . 27206 1 257 . 1 1 47 47 LYS H H 1 8.268 0.007 . 1 . . . . . 47 Lys H . 27206 1 258 . 1 1 47 47 LYS HA H 1 4.347 0.001 . 1 . . . . . 47 Lys HA . 27206 1 259 . 1 1 47 47 LYS CA C 13 56.624 0.038 . 1 . . . . . 47 Lys CA . 27206 1 260 . 1 1 47 47 LYS CB C 13 32.939 0.000 . 1 . . . . . 47 Lys CB . 27206 1 261 . 1 1 47 47 LYS N N 15 121.927 0.085 . 1 . . . . . 47 Lys N . 27206 1 262 . 1 1 48 48 THR H H 1 8.018 0.004 . 1 . . . . . 48 Thr H . 27206 1 263 . 1 1 48 48 THR CA C 13 61.988 0.031 . 1 . . . . . 48 Thr CA . 27206 1 264 . 1 1 48 48 THR CB C 13 69.826 0.002 . 1 . . . . . 48 Thr CB . 27206 1 265 . 1 1 48 48 THR CG2 C 13 21.335 0.000 . 1 . . . . . 48 Thr CG2 . 27206 1 266 . 1 1 48 48 THR N N 15 113.862 0.465 . 1 . . . . . 48 Thr N . 27206 1 267 . 1 1 49 49 HIS H H 1 8.340 0.005 . 1 . . . . . 49 His H . 27206 1 268 . 1 1 49 49 HIS HA H 1 4.608 0.000 . 1 . . . . . 49 His HA . 27206 1 269 . 1 1 49 49 HIS CA C 13 56.044 0.098 . 1 . . . . . 49 His CA . 27206 1 270 . 1 1 49 49 HIS CB C 13 30.375 0.001 . 1 . . . . . 49 His CB . 27206 1 271 . 1 1 49 49 HIS N N 15 121.193 0.083 . 1 . . . . . 49 His N . 27206 1 272 . 1 1 50 50 ASN H H 1 8.431 0.002 . 1 . . . . . 50 Asn H . 27206 1 273 . 1 1 50 50 ASN CA C 13 53.438 0.013 . 1 . . . . . 50 Asn CA . 27206 1 274 . 1 1 50 50 ASN CB C 13 38.868 0.012 . 1 . . . . . 50 Asn CB . 27206 1 275 . 1 1 50 50 ASN N N 15 120.477 0.033 . 1 . . . . . 50 Asn N . 27206 1 276 . 1 1 51 51 VAL H H 1 8.129 0.009 . 1 . . . . . 51 Val H . 27206 1 277 . 1 1 51 51 VAL HA H 1 4.083 0.001 . 1 . . . . . 51 Val HA . 27206 1 278 . 1 1 51 51 VAL CA C 13 62.586 0.008 . 1 . . . . . 51 Val CA . 27206 1 279 . 1 1 51 51 VAL CB C 13 32.647 0.032 . 1 . . . . . 51 Val CB . 27206 1 280 . 1 1 51 51 VAL CG1 C 13 21.701 0.000 . 2 . . . . . 51 Val CG1 . 27206 1 281 . 1 1 51 51 VAL CG2 C 13 21.697 0.000 . 2 . . . . . 51 Val CG2 . 27206 1 282 . 1 1 51 51 VAL N N 15 120.564 0.011 . 1 . . . . . 51 Val N . 27206 1 283 . 1 1 52 52 LEU H H 1 8.288 0.006 . 1 . . . . . 52 Leu H . 27206 1 284 . 1 1 52 52 LEU HA H 1 4.357 0.000 . 1 . . . . . 52 Leu HA . 27206 1 285 . 1 1 52 52 LEU CA C 13 55.178 0.023 . 1 . . . . . 52 Leu CA . 27206 1 286 . 1 1 52 52 LEU CB C 13 42.125 0.019 . 1 . . . . . 52 Leu CB . 27206 1 287 . 1 1 52 52 LEU CG C 13 26.887 0.000 . 1 . . . . . 52 Leu CG . 27206 1 288 . 1 1 52 52 LEU CD1 C 13 24.511 0.000 . 2 . . . . . 52 Leu CD1 . 27206 1 289 . 1 1 52 52 LEU CD2 C 13 22.962 0.000 . 2 . . . . . 52 Leu CD2 . 27206 1 290 . 1 1 52 52 LEU N N 15 125.337 0.024 . 1 . . . . . 52 Leu N . 27206 1 291 . 1 1 53 53 ARG H H 1 8.243 0.007 . 1 . . . . . 53 Arg H . 27206 1 292 . 1 1 53 53 ARG HA H 1 4.349 0.000 . 1 . . . . . 53 Arg HA . 27206 1 293 . 1 1 53 53 ARG CA C 13 56.075 0.030 . 1 . . . . . 53 Arg CA . 27206 1 294 . 1 1 53 53 ARG CB C 13 30.872 0.065 . 1 . . . . . 53 Arg CB . 27206 1 295 . 1 1 53 53 ARG CG C 13 27.042 0.000 . 1 . . . . . 53 Arg CG . 27206 1 296 . 1 1 53 53 ARG CD C 13 43.257 0.000 . 1 . . . . . 53 Arg CD . 27206 1 297 . 1 1 53 53 ARG N N 15 121.597 0.026 . 1 . . . . . 53 Arg N . 27206 1 298 . 1 1 54 54 ASN H H 1 8.458 0.005 . 1 . . . . . 54 Asn H . 27206 1 299 . 1 1 54 54 ASN CA C 13 53.262 0.013 . 1 . . . . . 54 Asn CA . 27206 1 300 . 1 1 54 54 ASN CB C 13 38.777 0.004 . 1 . . . . . 54 Asn CB . 27206 1 301 . 1 1 54 54 ASN N N 15 119.914 0.014 . 1 . . . . . 54 Asn N . 27206 1 302 . 1 1 55 55 VAL H H 1 8.078 0.006 . 1 . . . . . 55 Val H . 27206 1 303 . 1 1 55 55 VAL HA H 1 4.135 0.004 . 1 . . . . . 55 Val HA . 27206 1 304 . 1 1 55 55 VAL CA C 13 62.463 0.000 . 1 . . . . . 55 Val CA . 27206 1 305 . 1 1 55 55 VAL CB C 13 32.708 0.034 . 1 . . . . . 55 Val CB . 27206 1 306 . 1 1 55 55 VAL CG1 C 13 21.425 0.000 . 2 . . . . . 55 Val CG1 . 27206 1 307 . 1 1 55 55 VAL CG2 C 13 21.358 0.000 . 2 . . . . . 55 Val CG2 . 27206 1 308 . 1 1 55 55 VAL N N 15 120.247 0.024 . 1 . . . . . 55 Val N . 27206 1 309 . 1 1 56 56 ARG H H 1 8.420 0.003 . 1 . . . . . 56 Arg H . 27206 1 310 . 1 1 56 56 ARG HA H 1 4.402 0.000 . 1 . . . . . 56 Arg HA . 27206 1 311 . 1 1 56 56 ARG CA C 13 56.117 0.032 . 1 . . . . . 56 Arg CA . 27206 1 312 . 1 1 56 56 ARG CB C 13 30.859 0.020 . 1 . . . . . 56 Arg CB . 27206 1 313 . 1 1 56 56 ARG CG C 13 26.978 0.000 . 1 . . . . . 56 Arg CG . 27206 1 314 . 1 1 56 56 ARG CD C 13 43.277 0.000 . 1 . . . . . 56 Arg CD . 27206 1 315 . 1 1 56 56 ARG N N 15 124.379 0.046 . 1 . . . . . 56 Arg N . 27206 1 316 . 1 1 57 57 SER H H 1 8.389 0.002 . 1 . . . . . 57 Ser H . 27206 1 317 . 1 1 57 57 SER CA C 13 58.505 0.007 . 1 . . . . . 57 Ser CA . 27206 1 318 . 1 1 57 57 SER CB C 13 63.921 0.025 . 1 . . . . . 57 Ser CB . 27206 1 319 . 1 1 57 57 SER N N 15 117.088 0.023 . 1 . . . . . 57 Ser N . 27206 1 320 . 1 1 58 58 ASN H H 1 8.526 0.003 . 1 . . . . . 58 Asn H . 27206 1 321 . 1 1 58 58 ASN CA C 13 53.566 0.006 . 1 . . . . . 58 Asn CA . 27206 1 322 . 1 1 58 58 ASN CB C 13 38.615 0.019 . 1 . . . . . 58 Asn CB . 27206 1 323 . 1 1 58 58 ASN N N 15 120.408 0.021 . 1 . . . . . 58 Asn N . 27206 1 324 . 1 1 59 59 MET H H 1 8.333 0.002 . 1 . . . . . 59 Met H . 27206 1 325 . 1 1 59 59 MET HA H 1 4.477 0.000 . 1 . . . . . 59 Met HA . 27206 1 326 . 1 1 59 59 MET CA C 13 55.755 0.019 . 1 . . . . . 59 Met CA . 27206 1 327 . 1 1 59 59 MET CB C 13 32.685 0.003 . 1 . . . . . 59 Met CB . 27206 1 328 . 1 1 59 59 MET N N 15 119.901 0.038 . 1 . . . . . 59 Met N . 27206 1 329 . 1 1 60 60 GLU H H 1 8.424 0.002 . 1 . . . . . 60 Glu H . 27206 1 330 . 1 1 60 60 GLU HA H 1 4.254 0.004 . 1 . . . . . 60 Glu HA . 27206 1 331 . 1 1 60 60 GLU CA C 13 57.101 0.010 . 1 . . . . . 60 Glu CA . 27206 1 332 . 1 1 60 60 GLU CB C 13 30.078 0.009 . 1 . . . . . 60 Glu CB . 27206 1 333 . 1 1 60 60 GLU CG C 13 36.279 0.000 . 1 . . . . . 60 Glu CG . 27206 1 334 . 1 1 60 60 GLU N N 15 121.021 0.037 . 1 . . . . . 60 Glu N . 27206 1 335 . 1 1 61 61 ASN H H 1 8.361 0.002 . 1 . . . . . 61 Asn H . 27206 1 336 . 1 1 61 61 ASN HA H 1 4.714 0.000 . 1 . . . . . 61 Asn HA . 27206 1 337 . 1 1 61 61 ASN CA C 13 53.383 0.001 . 1 . . . . . 61 Asn CA . 27206 1 338 . 1 1 61 61 ASN CB C 13 39.186 0.000 . 1 . . . . . 61 Asn CB . 27206 1 339 . 1 1 61 61 ASN N N 15 118.458 0.042 . 1 . . . . . 61 Asn N . 27206 1 340 . 1 1 62 62 GLU H H 1 8.270 0.004 . 1 . . . . . 62 Glu H . 27206 1 341 . 1 1 62 62 GLU HA H 1 4.321 0.001 . 1 . . . . . 62 Glu HA . 27206 1 342 . 1 1 62 62 GLU CA C 13 56.534 0.030 . 1 . . . . . 62 Glu CA . 27206 1 343 . 1 1 62 62 GLU CB C 13 30.488 0.045 . 1 . . . . . 62 Glu CB . 27206 1 344 . 1 1 62 62 GLU N N 15 121.315 0.035 . 1 . . . . . 62 Glu N . 27206 1 345 . 1 1 63 63 LEU H H 1 7.889 0.003 . 1 . . . . . 63 Leu H . 27206 1 346 . 1 1 63 63 LEU CB C 13 43.366 0.000 . 1 . . . . . 63 Leu CB . 27206 1 347 . 1 1 63 63 LEU N N 15 119.719 3.233 . 1 . . . . . 63 Leu N . 27206 1 stop_ save_