################################### # 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 51406 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list' _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-15N HSQC/HMQC' . . . 51406 1 2 '3D HNCACB' . . . 51406 1 3 '3D HNCA' . . . 51406 1 4 'CC(CO)NH (HNco_C.relayed)' . . . 51406 1 5 '3D HNCO' . . . 51406 1 6 'HN(CA)CO (H[N[ca[CO]]])' . . . 51406 1 7 '3D CBCA(CO)NH' . . . 51406 1 8 '3D 1H-15N TOCSY' . . . 51406 1 9 'HNHA (H{[N]+[HA]})' . . . 51406 1 10 '3D HNHB' . . . 51406 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 . . 51406 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 THR C C 13 173.111 . . 1 . . . . . 5 THR C . 51406 1 2 . 1 . 1 1 1 THR CA C 13 61.413 0.038 . 1 . . . . . 5 THR CA . 51406 1 3 . 1 . 1 1 1 THR CB C 13 69.794 0.138 . 1 . . . . . 5 THR CB . 51406 1 4 . 1 . 1 1 1 THR CG2 C 13 21.164 . . 1 . . . . . 5 THR CG2 . 51406 1 5 . 1 . 1 2 2 TYR H H 1 7.569 0.008 . 1 . . . . . 6 TYR H . 51406 1 6 . 1 . 1 2 2 TYR HA H 1 4.113 . . 1 . . . . . 6 TYR HA . 51406 1 7 . 1 . 1 2 2 TYR HB2 H 1 2.552 . . 2 . . . . . 6 TYR HB2 . 51406 1 8 . 1 . 1 2 2 TYR HB3 H 1 2.791 . . 2 . . . . . 6 TYR HB3 . 51406 1 9 . 1 . 1 2 2 TYR CA C 13 58.909 0.006 . 1 . . . . . 6 TYR CA . 51406 1 10 . 1 . 1 2 2 TYR CB C 13 39.091 . . 1 . . . . . 6 TYR CB . 51406 1 11 . 1 . 1 2 2 TYR N N 15 126.805 0.04 . 1 . . . . . 6 TYR N . 51406 1 12 . 1 . 1 3 3 HIS C C 13 174.892 . . 1 . . . . . 7 HIS C . 51406 1 13 . 1 . 1 3 3 HIS CA C 13 56.315 0.024 . 1 . . . . . 7 HIS CA . 51406 1 14 . 1 . 1 3 3 HIS CB C 13 31.292 0.015 . 1 . . . . . 7 HIS CB . 51406 1 15 . 1 . 1 4 4 VAL H H 1 7.772 0.005 . 1 . . . . . 8 VAL H . 51406 1 16 . 1 . 1 4 4 VAL HA H 1 3.690 0.004 . 1 . . . . . 8 VAL HA . 51406 1 17 . 1 . 1 4 4 VAL HB H 1 1.652 0.007 . 1 . . . . . 8 VAL HB . 51406 1 18 . 1 . 1 4 4 VAL HG11 H 1 0.659 . . 2 . . . . . 8 VAL HG11 . 51406 1 19 . 1 . 1 4 4 VAL HG12 H 1 0.659 . . 2 . . . . . 8 VAL HG12 . 51406 1 20 . 1 . 1 4 4 VAL HG13 H 1 0.659 . . 2 . . . . . 8 VAL HG13 . 51406 1 21 . 1 . 1 4 4 VAL HG21 H 1 0.502 . . 2 . . . . . 8 VAL HG21 . 51406 1 22 . 1 . 1 4 4 VAL HG22 H 1 0.502 . . 2 . . . . . 8 VAL HG22 . 51406 1 23 . 1 . 1 4 4 VAL HG23 H 1 0.502 . . 2 . . . . . 8 VAL HG23 . 51406 1 24 . 1 . 1 4 4 VAL C C 13 175.233 0.008 . 1 . . . . . 8 VAL C . 51406 1 25 . 1 . 1 4 4 VAL CA C 13 61.931 0.062 . 1 . . . . . 8 VAL CA . 51406 1 26 . 1 . 1 4 4 VAL CB C 13 32.641 0.061 . 1 . . . . . 8 VAL CB . 51406 1 27 . 1 . 1 4 4 VAL CG1 C 13 20.440 . . 1 . . . . . 8 VAL CG1 . 51406 1 28 . 1 . 1 4 4 VAL N N 15 123.019 0.05 . 1 . . . . . 8 VAL N . 51406 1 29 . 1 . 1 5 5 ASP H H 1 8.384 0.004 . 1 . . . . . 9 ASP H . 51406 1 30 . 1 . 1 5 5 ASP HA H 1 4.263 0.01 . 1 . . . . . 9 ASP HA . 51406 1 31 . 1 . 1 5 5 ASP HB2 H 1 2.416 0.009 . 2 . . . . . 9 ASP HB2 . 51406 1 32 . 1 . 1 5 5 ASP HB3 H 1 2.561 . . 2 . . . . . 9 ASP HB3 . 51406 1 33 . 1 . 1 5 5 ASP C C 13 175.944 0.003 . 1 . . . . . 9 ASP C . 51406 1 34 . 1 . 1 5 5 ASP CA C 13 53.909 0.061 . 1 . . . . . 9 ASP CA . 51406 1 35 . 1 . 1 5 5 ASP CB C 13 41.040 0.05 . 1 . . . . . 9 ASP CB . 51406 1 36 . 1 . 1 5 5 ASP N N 15 124.502 0.052 . 1 . . . . . 9 ASP N . 51406 1 37 . 1 . 1 6 6 ALA H H 1 8.161 0.005 . 1 . . . . . 10 ALA H . 51406 1 38 . 1 . 1 6 6 ALA C C 13 177.612 0.052 . 1 . . . . . 10 ALA C . 51406 1 39 . 1 . 1 6 6 ALA CA C 13 52.760 0.01 . 1 . . . . . 10 ALA CA . 51406 1 40 . 1 . 1 6 6 ALA CB C 13 18.811 . . 1 . . . . . 10 ALA CB . 51406 1 41 . 1 . 1 6 6 ALA N N 15 125.240 0.039 . 1 . . . . . 10 ALA N . 51406 1 42 . 1 . 1 7 7 ASN H H 1 7.806 0.011 . 1 . . . . . 11 ASN H . 51406 1 43 . 1 . 1 7 7 ASN HA H 1 3.940 . . 1 . . . . . 11 ASN HA . 51406 1 44 . 1 . 1 7 7 ASN CA C 13 55.392 0.008 . 1 . . . . . 11 ASN CA . 51406 1 45 . 1 . 1 7 7 ASN CB C 13 41.775 . . 1 . . . . . 11 ASN CB . 51406 1 46 . 1 . 1 7 7 ASN N N 15 119.862 0.021 . 1 . . . . . 11 ASN N . 51406 1 47 . 1 . 1 8 8 ASP H H 1 8.272 0.004 . 1 . . . . . 12 ASP H . 51406 1 48 . 1 . 1 8 8 ASP HA H 1 4.223 . . 1 . . . . . 12 ASP HA . 51406 1 49 . 1 . 1 8 8 ASP HB2 H 1 2.280 . . 1 . . . . . 12 ASP HB2 . 51406 1 50 . 1 . 1 8 8 ASP C C 13 176.095 . . 1 . . . . . 12 ASP C . 51406 1 51 . 1 . 1 8 8 ASP CA C 13 54.163 0.032 . 1 . . . . . 12 ASP CA . 51406 1 52 . 1 . 1 8 8 ASP CB C 13 40.597 0.111 . 1 . . . . . 12 ASP CB . 51406 1 53 . 1 . 1 8 8 ASP N N 15 126.863 0.096 . 1 . . . . . 12 ASP N . 51406 1 54 . 1 . 1 9 9 HIS H H 1 7.929 0.009 . 1 . . . . . 13 HIS H . 51406 1 55 . 1 . 1 9 9 HIS C C 13 175.683 . . 1 . . . . . 13 HIS C . 51406 1 56 . 1 . 1 9 9 HIS CA C 13 56.787 0.015 . 1 . . . . . 13 HIS CA . 51406 1 57 . 1 . 1 9 9 HIS CB C 13 30.723 0.052 . 1 . . . . . 13 HIS CB . 51406 1 58 . 1 . 1 9 9 HIS N N 15 120.146 0.037 . 1 . . . . . 13 HIS N . 51406 1 59 . 1 . 1 10 10 ASP H H 1 8.024 0.014 . 1 . . . . . 14 ASP H . 51406 1 60 . 1 . 1 10 10 ASP CA C 13 54.399 . . 1 . . . . . 14 ASP CA . 51406 1 61 . 1 . 1 10 10 ASP CB C 13 40.618 . . 1 . . . . . 14 ASP CB . 51406 1 62 . 1 . 1 10 10 ASP N N 15 120.822 0.086 . 1 . . . . . 14 ASP N . 51406 1 63 . 1 . 1 13 13 ARG C C 13 175.174 0.028 . 1 . . . . . 17 ARG C . 51406 1 64 . 1 . 1 13 13 ARG CA C 13 55.732 0.045 . 1 . . . . . 17 ARG CA . 51406 1 65 . 1 . 1 13 13 ARG CB C 13 30.211 0.049 . 1 . . . . . 17 ARG CB . 51406 1 66 . 1 . 1 13 13 ARG CG C 13 26.742 . . 1 . . . . . 17 ARG CG . 51406 1 67 . 1 . 1 13 13 ARG CD C 13 42.974 . . 1 . . . . . 17 ARG CD . 51406 1 68 . 1 . 1 14 14 LYS H H 1 7.737 0.006 . 1 . . . . . 18 LYS H . 51406 1 69 . 1 . 1 14 14 LYS HA H 1 3.842 0.0 . 1 . . . . . 18 LYS HA . 51406 1 70 . 1 . 1 14 14 LYS HB2 H 1 1.484 0.006 . 1 . . . . . 18 LYS HB2 . 51406 1 71 . 1 . 1 14 14 LYS HG2 H 1 1.039 . . 1 . . . . . 18 LYS HG2 . 51406 1 72 . 1 . 1 14 14 LYS HD2 H 1 1.252 . . 1 . . . . . 18 LYS HD2 . 51406 1 73 . 1 . 1 14 14 LYS HE2 H 1 2.787 . . 1 . . . . . 18 LYS HE2 . 51406 1 74 . 1 . 1 14 14 LYS CA C 13 57.432 0.005 . 1 . . . . . 18 LYS CA . 51406 1 75 . 1 . 1 14 14 LYS CB C 13 33.227 . . 1 . . . . . 18 LYS CB . 51406 1 76 . 1 . 1 14 14 LYS N N 15 127.899 0.06 . 1 . . . . . 18 LYS N . 51406 1 77 . 1 . 1 15 15 SER C C 13 173.398 . . 1 . . . . . 19 SER C . 51406 1 78 . 1 . 1 15 15 SER CA C 13 58.247 0.022 . 1 . . . . . 19 SER CA . 51406 1 79 . 1 . 1 15 15 SER CB C 13 63.466 0.085 . 1 . . . . . 19 SER CB . 51406 1 80 . 1 . 1 16 16 GLN H H 1 7.883 0.006 . 1 . . . . . 20 GLN H . 51406 1 81 . 1 . 1 16 16 GLN HA H 1 3.864 . . 1 . . . . . 20 GLN HA . 51406 1 82 . 1 . 1 16 16 GLN HB2 H 1 1.573 0.025 . 2 . . . . . 20 GLN HB2 . 51406 1 83 . 1 . 1 16 16 GLN HB3 H 1 1.768 0.039 . 2 . . . . . 20 GLN HB3 . 51406 1 84 . 1 . 1 16 16 GLN HG2 H 1 1.933 . . 2 . . . . . 20 GLN HG2 . 51406 1 85 . 1 . 1 16 16 GLN HG3 H 1 2.106 . . 2 . . . . . 20 GLN HG3 . 51406 1 86 . 1 . 1 16 16 GLN C C 13 180.396 . . 1 . . . . . 20 GLN C . 51406 1 87 . 1 . 1 16 16 GLN CA C 13 57.154 0.015 . 1 . . . . . 20 GLN CA . 51406 1 88 . 1 . 1 16 16 GLN CB C 13 30.020 . . 1 . . . . . 20 GLN CB . 51406 1 89 . 1 . 1 16 16 GLN N N 15 126.803 0.041 . 1 . . . . . 20 GLN N . 51406 1 90 . 1 . 1 17 17 GLN C C 13 174.370 . . 1 . . . . . 21 GLN C . 51406 1 91 . 1 . 1 17 17 GLN CA C 13 55.369 0.041 . 1 . . . . . 21 GLN CA . 51406 1 92 . 1 . 1 17 17 GLN CB C 13 29.285 0.042 . 1 . . . . . 21 GLN CB . 51406 1 93 . 1 . 1 17 17 GLN CG C 13 33.456 . . 1 . . . . . 21 GLN CG . 51406 1 94 . 1 . 1 18 18 TYR H H 1 7.593 0.004 . 1 . . . . . 22 TYR H . 51406 1 95 . 1 . 1 18 18 TYR HA H 1 4.098 0.0 . 1 . . . . . 22 TYR HA . 51406 1 96 . 1 . 1 18 18 TYR HB2 H 1 2.544 0.018 . 2 . . . . . 22 TYR HB2 . 51406 1 97 . 1 . 1 18 18 TYR HB3 H 1 2.785 0.005 . 2 . . . . . 22 TYR HB3 . 51406 1 98 . 1 . 1 18 18 TYR C C 13 180.294 . . 1 . . . . . 22 TYR C . 51406 1 99 . 1 . 1 18 18 TYR CA C 13 58.902 0.001 . 1 . . . . . 22 TYR CA . 51406 1 100 . 1 . 1 18 18 TYR CB C 13 39.121 . . 1 . . . . . 22 TYR CB . 51406 1 101 . 1 . 1 18 18 TYR N N 15 126.321 0.049 . 1 . . . . . 22 TYR N . 51406 1 102 . 1 . 1 19 19 ASP C C 13 175.618 . . 1 . . . . . 23 ASP C . 51406 1 103 . 1 . 1 19 19 ASP CA C 13 53.946 0.08 . 1 . . . . . 23 ASP CA . 51406 1 104 . 1 . 1 19 19 ASP CB C 13 40.692 0.031 . 1 . . . . . 23 ASP CB . 51406 1 105 . 1 . 1 20 20 LEU H H 1 7.949 0.008 . 1 . . . . . 24 LEU H . 51406 1 106 . 1 . 1 20 20 LEU HA H 1 4.086 . . 1 . . . . . 24 LEU HA . 51406 1 107 . 1 . 1 20 20 LEU HB2 H 1 1.308 . . 1 . . . . . 24 LEU HB2 . 51406 1 108 . 1 . 1 20 20 LEU HG H 1 1.156 . . 1 . . . . . 24 LEU HG . 51406 1 109 . 1 . 1 20 20 LEU HD11 H 1 0.609 . . 2 . . . . . 24 LEU HD11 . 51406 1 110 . 1 . 1 20 20 LEU HD12 H 1 0.609 . . 2 . . . . . 24 LEU HD12 . 51406 1 111 . 1 . 1 20 20 LEU HD13 H 1 0.609 . . 2 . . . . . 24 LEU HD13 . 51406 1 112 . 1 . 1 20 20 LEU HD21 H 1 0.380 . . 2 . . . . . 24 LEU HD21 . 51406 1 113 . 1 . 1 20 20 LEU HD22 H 1 0.380 . . 2 . . . . . 24 LEU HD22 . 51406 1 114 . 1 . 1 20 20 LEU HD23 H 1 0.380 . . 2 . . . . . 24 LEU HD23 . 51406 1 115 . 1 . 1 20 20 LEU C C 13 176.257 . . 1 . . . . . 24 LEU C . 51406 1 116 . 1 . 1 20 20 LEU CA C 13 54.755 0.028 . 1 . . . . . 24 LEU CA . 51406 1 117 . 1 . 1 20 20 LEU CB C 13 41.890 0.066 . 1 . . . . . 24 LEU CB . 51406 1 118 . 1 . 1 20 20 LEU CG C 13 26.454 . . 1 . . . . . 24 LEU CG . 51406 1 119 . 1 . 1 20 20 LEU CD1 C 13 24.785 . . 2 . . . . . 24 LEU CD1 . 51406 1 120 . 1 . 1 20 20 LEU CD2 C 13 22.907 . . 2 . . . . . 24 LEU CD2 . 51406 1 121 . 1 . 1 20 20 LEU N N 15 122.443 0.133 . 1 . . . . . 24 LEU N . 51406 1 122 . 1 . 1 21 21 ASN H H 1 7.812 0.008 . 1 . . . . . 25 ASN H . 51406 1 123 . 1 . 1 21 21 ASN HA H 1 4.152 . . 1 . . . . . 25 ASN HA . 51406 1 124 . 1 . 1 21 21 ASN HB2 H 1 2.417 0.008 . 1 . . . . . 25 ASN HB2 . 51406 1 125 . 1 . 1 21 21 ASN C C 13 173.704 . . 1 . . . . . 25 ASN C . 51406 1 126 . 1 . 1 21 21 ASN CA C 13 54.529 0.028 . 1 . . . . . 25 ASN CA . 51406 1 127 . 1 . 1 21 21 ASN CB C 13 40.067 . . 1 . . . . . 25 ASN CB . 51406 1 128 . 1 . 1 21 21 ASN N N 15 124.290 0.019 . 1 . . . . . 25 ASN N . 51406 1 129 . 1 . 1 22 22 ALA H H 1 7.440 0.007 . 1 . . . . . 26 ALA H . 51406 1 130 . 1 . 1 22 22 ALA HA H 1 3.769 0.002 . 1 . . . . . 26 ALA HA . 51406 1 131 . 1 . 1 22 22 ALA HB1 H 1 1.027 0.014 . 1 . . . . . 26 ALA HB1 . 51406 1 132 . 1 . 1 22 22 ALA HB2 H 1 1.027 0.014 . 1 . . . . . 26 ALA HB2 . 51406 1 133 . 1 . 1 22 22 ALA HB3 H 1 1.027 0.014 . 1 . . . . . 26 ALA HB3 . 51406 1 134 . 1 . 1 22 22 ALA CA C 13 53.793 0.005 . 1 . . . . . 26 ALA CA . 51406 1 135 . 1 . 1 22 22 ALA CB C 13 19.645 . . 1 . . . . . 26 ALA CB . 51406 1 136 . 1 . 1 22 22 ALA N N 15 129.097 0.01 . 1 . . . . . 26 ALA N . 51406 1 137 . 1 . 1 23 23 LEU C C 13 176.113 . . 1 . . . . . 27 LEU C . 51406 1 138 . 1 . 1 23 23 LEU CA C 13 54.849 0.089 . 1 . . . . . 27 LEU CA . 51406 1 139 . 1 . 1 23 23 LEU CB C 13 41.731 0.107 . 1 . . . . . 27 LEU CB . 51406 1 140 . 1 . 1 23 23 LEU CG C 13 26.299 . . 1 . . . . . 27 LEU CG . 51406 1 141 . 1 . 1 23 23 LEU CD1 C 13 24.631 . . 1 . . . . . 27 LEU CD1 . 51406 1 142 . 1 . 1 24 24 HIS H H 1 7.488 0.008 . 1 . . . . . 28 HIS H . 51406 1 143 . 1 . 1 24 24 HIS HA H 1 4.096 . . 1 . . . . . 28 HIS HA . 51406 1 144 . 1 . 1 24 24 HIS HB2 H 1 2.747 0.005 . 1 . . . . . 28 HIS HB2 . 51406 1 145 . 1 . 1 24 24 HIS C C 13 180.091 . . 1 . . . . . 28 HIS C . 51406 1 146 . 1 . 1 24 24 HIS CA C 13 57.417 0.003 . 1 . . . . . 28 HIS CA . 51406 1 147 . 1 . 1 24 24 HIS CB C 13 31.450 . . 1 . . . . . 28 HIS CB . 51406 1 148 . 1 . 1 24 24 HIS N N 15 124.991 0.129 . 1 . . . . . 28 HIS N . 51406 1 149 . 1 . 1 25 25 LYS C C 13 175.586 . . 1 . . . . . 29 LYS C . 51406 1 150 . 1 . 1 25 25 LYS CA C 13 55.934 0.021 . 1 . . . . . 29 LYS CA . 51406 1 151 . 1 . 1 25 25 LYS CB C 13 32.856 0.186 . 1 . . . . . 29 LYS CB . 51406 1 152 . 1 . 1 25 25 LYS CG C 13 24.333 . . 1 . . . . . 29 LYS CG . 51406 1 153 . 1 . 1 25 25 LYS CD C 13 28.744 . . 1 . . . . . 29 LYS CD . 51406 1 154 . 1 . 1 26 26 THR H H 1 7.654 0.006 . 1 . . . . . 30 THR H . 51406 1 155 . 1 . 1 26 26 THR HA H 1 3.827 0.002 . 1 . . . . . 30 THR HA . 51406 1 156 . 1 . 1 26 26 THR HB H 1 3.925 0.005 . 1 . . . . . 30 THR HB . 51406 1 157 . 1 . 1 26 26 THR HG21 H 1 0.875 . . 1 . . . . . 30 THR HG21 . 51406 1 158 . 1 . 1 26 26 THR HG22 H 1 0.875 . . 1 . . . . . 30 THR HG22 . 51406 1 159 . 1 . 1 26 26 THR HG23 H 1 0.875 . . 1 . . . . . 30 THR HG23 . 51406 1 160 . 1 . 1 26 26 THR C C 13 173.898 . . 1 . . . . . 30 THR C . 51406 1 161 . 1 . 1 26 26 THR CA C 13 63.087 0.054 . 1 . . . . . 30 THR CA . 51406 1 162 . 1 . 1 26 26 THR CB C 13 70.425 . . 1 . . . . . 30 THR CB . 51406 1 163 . 1 . 1 26 26 THR CG2 C 13 21.311 . . 1 . . . . . 30 THR CG2 . 51406 1 164 . 1 . 1 26 26 THR N N 15 120.897 0.046 . 1 . . . . . 30 THR N . 51406 1 165 . 1 . 1 27 27 THR H H 1 7.613 0.005 . 1 . . . . . 31 THR H . 51406 1 166 . 1 . 1 27 27 THR HA H 1 3.853 0.009 . 1 . . . . . 31 THR HA . 51406 1 167 . 1 . 1 27 27 THR HB H 1 3.949 0.015 . 1 . . . . . 31 THR HB . 51406 1 168 . 1 . 1 27 27 THR HG21 H 1 0.893 . . 1 . . . . . 31 THR HG21 . 51406 1 169 . 1 . 1 27 27 THR HG22 H 1 0.893 . . 1 . . . . . 31 THR HG22 . 51406 1 170 . 1 . 1 27 27 THR HG23 H 1 0.893 . . 1 . . . . . 31 THR HG23 . 51406 1 171 . 1 . 1 27 27 THR C C 13 173.423 . . 1 . . . . . 31 THR C . 51406 1 172 . 1 . 1 27 27 THR CA C 13 61.519 0.069 . 1 . . . . . 31 THR CA . 51406 1 173 . 1 . 1 27 27 THR CB C 13 69.775 0.056 . 1 . . . . . 31 THR CB . 51406 1 174 . 1 . 1 27 27 THR CG2 C 13 21.282 . . 1 . . . . . 31 THR CG2 . 51406 1 175 . 1 . 1 27 27 THR N N 15 121.181 0.021 . 1 . . . . . 31 THR N . 51406 1 176 . 1 . 1 28 28 LYS H H 1 7.878 0.006 . 1 . . . . . 32 LYS H . 51406 1 177 . 1 . 1 28 28 LYS HA H 1 3.846 0.005 . 1 . . . . . 32 LYS HA . 51406 1 178 . 1 . 1 28 28 LYS HB2 H 1 1.467 0.004 . 1 . . . . . 32 LYS HB2 . 51406 1 179 . 1 . 1 28 28 LYS HG2 H 1 1.013 . . 1 . . . . . 32 LYS HG2 . 51406 1 180 . 1 . 1 28 28 LYS HD2 H 1 1.230 . . 1 . . . . . 32 LYS HD2 . 51406 1 181 . 1 . 1 28 28 LYS CA C 13 57.646 0.01 . 1 . . . . . 32 LYS CA . 51406 1 182 . 1 . 1 28 28 LYS CB C 13 33.204 . . 1 . . . . . 32 LYS CB . 51406 1 183 . 1 . 1 28 28 LYS N N 15 128.805 0.022 . 1 . . . . . 32 LYS N . 51406 1 184 . 1 . 1 30 30 GLN C C 13 174.806 . . 1 . . . . . 34 GLN C . 51406 1 185 . 1 . 1 30 30 GLN CA C 13 55.544 0.046 . 1 . . . . . 34 GLN CA . 51406 1 186 . 1 . 1 30 30 GLN CB C 13 29.235 0.054 . 1 . . . . . 34 GLN CB . 51406 1 187 . 1 . 1 30 30 GLN CG C 13 33.525 . . 1 . . . . . 34 GLN CG . 51406 1 188 . 1 . 1 31 31 ARG H H 1 7.843 0.006 . 1 . . . . . 35 ARG H . 51406 1 189 . 1 . 1 31 31 ARG HA H 1 3.840 . . 1 . . . . . 35 ARG HA . 51406 1 190 . 1 . 1 31 31 ARG HB2 H 1 1.509 0.009 . 2 . . . . . 35 ARG HB2 . 51406 1 191 . 1 . 1 31 31 ARG HB3 H 1 1.381 . . 2 . . . . . 35 ARG HB3 . 51406 1 192 . 1 . 1 31 31 ARG HG2 H 1 1.194 . . 1 . . . . . 35 ARG HG2 . 51406 1 193 . 1 . 1 31 31 ARG HD2 H 1 2.779 . . 1 . . . . . 35 ARG HD2 . 51406 1 194 . 1 . 1 31 31 ARG CA C 13 57.331 0.001 . 1 . . . . . 35 ARG CA . 51406 1 195 . 1 . 1 31 31 ARG CB C 13 30.967 . . 1 . . . . . 35 ARG CB . 51406 1 196 . 1 . 1 31 31 ARG N N 15 127.478 0.032 . 1 . . . . . 35 ARG N . 51406 1 197 . 1 . 1 33 33 LEU C C 13 176.482 . . 1 . . . . . 37 LEU C . 51406 1 198 . 1 . 1 33 33 LEU CA C 13 54.819 0.129 . 1 . . . . . 37 LEU CA . 51406 1 199 . 1 . 1 33 33 LEU CB C 13 41.954 0.238 . 1 . . . . . 37 LEU CB . 51406 1 200 . 1 . 1 34 34 GLY H H 1 7.572 0.009 . 1 . . . . . 38 GLY H . 51406 1 201 . 1 . 1 34 34 GLY HA2 H 1 3.524 . . 2 . . . . . 38 GLY HA2 . 51406 1 202 . 1 . 1 34 34 GLY HA3 H 1 3.350 0.001 . 2 . . . . . 38 GLY HA3 . 51406 1 203 . 1 . 1 34 34 GLY CA C 13 45.757 0.009 . 1 . . . . . 38 GLY CA . 51406 1 204 . 1 . 1 34 34 GLY N N 15 115.090 0.15 . 1 . . . . . 38 GLY N . 51406 1 205 . 1 . 1 38 38 GLN C C 13 175.276 . . 1 . . . . . 42 GLN C . 51406 1 206 . 1 . 1 38 38 GLN CA C 13 55.527 0.049 . 1 . . . . . 42 GLN CA . 51406 1 207 . 1 . 1 38 38 GLN CB C 13 29.131 0.06 . 1 . . . . . 42 GLN CB . 51406 1 208 . 1 . 1 38 38 GLN CG C 13 33.458 . . 1 . . . . . 42 GLN CG . 51406 1 209 . 1 . 1 39 39 LEU H H 1 8.154 0.005 . 1 . . . . . 43 LEU H . 51406 1 210 . 1 . 1 39 39 LEU C C 13 176.043 0.002 . 1 . . . . . 43 LEU C . 51406 1 211 . 1 . 1 39 39 LEU CA C 13 54.860 0.056 . 1 . . . . . 43 LEU CA . 51406 1 212 . 1 . 1 39 39 LEU CB C 13 41.738 0.057 . 1 . . . . . 43 LEU CB . 51406 1 213 . 1 . 1 39 39 LEU CG C 13 26.565 . . 1 . . . . . 43 LEU CG . 51406 1 214 . 1 . 1 39 39 LEU CD1 C 13 24.693 . . 2 . . . . . 43 LEU CD1 . 51406 1 215 . 1 . 1 39 39 LEU CD2 C 13 22.939 . . 2 . . . . . 43 LEU CD2 . 51406 1 216 . 1 . 1 39 39 LEU N N 15 124.474 0.046 . 1 . . . . . 43 LEU N . 51406 1 217 . 1 . 1 40 40 LEU H H 1 7.653 0.004 . 1 . . . . . 44 LEU H . 51406 1 218 . 1 . 1 40 40 LEU HA H 1 3.888 0.01 . 1 . . . . . 44 LEU HA . 51406 1 219 . 1 . 1 40 40 LEU HB2 H 1 1.226 0.012 . 2 . . . . . 44 LEU HB2 . 51406 1 220 . 1 . 1 40 40 LEU HB3 H 1 1.362 . . 2 . . . . . 44 LEU HB3 . 51406 1 221 . 1 . 1 40 40 LEU HD11 H 1 0.636 . . 2 . . . . . 44 LEU HD11 . 51406 1 222 . 1 . 1 40 40 LEU HD12 H 1 0.636 . . 2 . . . . . 44 LEU HD12 . 51406 1 223 . 1 . 1 40 40 LEU HD13 H 1 0.636 . . 2 . . . . . 44 LEU HD13 . 51406 1 224 . 1 . 1 40 40 LEU HD21 H 1 0.515 . . 2 . . . . . 44 LEU HD21 . 51406 1 225 . 1 . 1 40 40 LEU HD22 H 1 0.515 . . 2 . . . . . 44 LEU HD22 . 51406 1 226 . 1 . 1 40 40 LEU HD23 H 1 0.515 . . 2 . . . . . 44 LEU HD23 . 51406 1 227 . 1 . 1 40 40 LEU C C 13 182.276 . . 1 . . . . . 44 LEU C . 51406 1 228 . 1 . 1 40 40 LEU CA C 13 56.338 0.025 . 1 . . . . . 44 LEU CA . 51406 1 229 . 1 . 1 40 40 LEU CB C 13 43.000 . . 1 . . . . . 44 LEU CB . 51406 1 230 . 1 . 1 40 40 LEU N N 15 128.694 0.029 . 1 . . . . . 44 LEU N . 51406 1 stop_ save_