################################### # 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_cChim _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_cChim _Assigned_chem_shift_list.Entry_ID 25034 _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 '2D 1H-15N HSQC' . . . 25034 1 2 '3D 1H-15N NOESY' . . . 25034 1 3 '3D 1H-15N TOCSY' . . . 25034 1 4 '3D HNHA' . . . 25034 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.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 10 10 GLU H H 1 8.2591 0.0027 . 1 . . . . -7 E H . 25034 1 2 . 1 1 10 10 GLU HA H 1 4.2367 0.0000 . 1 . . . . -7 E HA . 25034 1 3 . 1 1 10 10 GLU HB2 H 1 1.9518 0.0023 . 1 . . . . -7 E HB2 . 25034 1 4 . 1 1 10 10 GLU HB3 H 1 2.0883 0.0017 . 1 . . . . -7 E HB3 . 25034 1 5 . 1 1 10 10 GLU HG2 H 1 2.3082 0.0044 . 1 . . . . -7 E HG2 . 25034 1 6 . 1 1 10 10 GLU N N 15 121.9319 0.0407 . 1 . . . . -7 E N . 25034 1 7 . 1 1 11 11 ASN HA H 1 4.2315 0.0000 . 1 . . . . -6 N HA . 25034 1 8 . 1 1 23 23 ALA H H 1 7.8730 0.0033 . 1 . . . . 7 A H . 25034 1 9 . 1 1 23 23 ALA HA H 1 4.1536 0.0000 . 1 . . . . 7 A HA . 25034 1 10 . 1 1 23 23 ALA HB1 H 1 1.4253 0.0000 . 1 . . . . 7 A HB1 . 25034 1 11 . 1 1 23 23 ALA HB2 H 1 1.4253 0.0000 . 1 . . . . 7 A HB1 . 25034 1 12 . 1 1 23 23 ALA HB3 H 1 1.4253 0.0000 . 1 . . . . 7 A HB1 . 25034 1 13 . 1 1 23 23 ALA N N 15 120.9253 0.1550 . 1 . . . . 7 A N . 25034 1 14 . 1 1 24 24 ALA H H 1 7.5908 0.0043 . 1 . . . . 8 A H . 25034 1 15 . 1 1 24 24 ALA HA H 1 4.1670 0.0000 . 1 . . . . 8 A HA . 25034 1 16 . 1 1 24 24 ALA HB1 H 1 1.5708 0.0000 . 1 . . . . 8 A HB1 . 25034 1 17 . 1 1 24 24 ALA HB2 H 1 1.5708 0.0000 . 1 . . . . 8 A HB1 . 25034 1 18 . 1 1 24 24 ALA HB3 H 1 1.5708 0.0000 . 1 . . . . 8 A HB1 . 25034 1 19 . 1 1 24 24 ALA N N 15 120.2251 0.0342 . 1 . . . . 8 A N . 25034 1 20 . 1 1 25 25 VAL H H 1 7.9743 0.0031 . 1 . . . . 9 V H . 25034 1 21 . 1 1 25 25 VAL N N 15 119.3203 0.0221 . 1 . . . . 9 V N . 25034 1 22 . 1 1 26 26 GLU H H 1 7.6963 0.0042 . 1 . . . . 10 E H . 25034 1 23 . 1 1 26 26 GLU HA H 1 4.1052 0.0000 . 1 . . . . 10 E HA . 25034 1 24 . 1 1 26 26 GLU N N 15 118.3440 0.0295 . 1 . . . . 10 E N . 25034 1 25 . 1 1 27 27 GLN H H 1 7.3897 0.0040 . 1 . . . . 11 Q H . 25034 1 26 . 1 1 27 27 GLN HA H 1 4.2980 0.0000 . 1 . . . . 11 Q HA . 25034 1 27 . 1 1 27 27 GLN N N 15 114.8566 0.0447 . 1 . . . . 11 Q N . 25034 1 28 . 1 1 28 28 LEU H H 1 7.3909 0.0043 . 1 . . . . 12 L H . 25034 1 29 . 1 1 28 28 LEU HA H 1 4.5147 0.0000 . 1 . . . . 12 L HA . 25034 1 30 . 1 1 28 28 LEU N N 15 120.9264 0.0435 . 1 . . . . 12 L N . 25034 1 31 . 1 1 29 29 THR H H 1 8.9428 0.0042 . 1 . . . . 13 T H . 25034 1 32 . 1 1 29 29 THR HA H 1 4.6199 0.0000 . 1 . . . . 13 T HA . 25034 1 33 . 1 1 29 29 THR N N 15 114.0266 0.0736 . 1 . . . . 13 T N . 25034 1 34 . 1 1 30 30 GLU H H 1 9.0267 0.0090 . 1 . . . . 14 E H . 25034 1 35 . 1 1 30 30 GLU HA H 1 3.9627 0.0000 . 1 . . . . 14 E HA . 25034 1 36 . 1 1 30 30 GLU N N 15 121.7352 0.0546 . 1 . . . . 14 E N . 25034 1 37 . 1 1 31 31 GLU H H 1 8.6268 0.0127 . 1 . . . . 15 E H . 25034 1 38 . 1 1 31 31 GLU HA H 1 4.0578 0.0000 . 1 . . . . 15 E HA . 25034 1 39 . 1 1 31 31 GLU N N 15 117.7833 0.0366 . 1 . . . . 15 E N . 25034 1 40 . 1 1 32 32 GLN H H 1 7.8681 0.0037 . 1 . . . . 16 Q H . 25034 1 41 . 1 1 32 32 GLN HA H 1 3.8599 0.0000 . 1 . . . . 16 Q HA . 25034 1 42 . 1 1 32 32 GLN N N 15 119.3427 0.0277 . 1 . . . . 16 Q N . 25034 1 43 . 1 1 33 33 LYS H H 1 8.5935 0.0022 . 1 . . . . 17 K H . 25034 1 44 . 1 1 33 33 LYS HA H 1 4.0458 0.0000 . 1 . . . . 17 K HA . 25034 1 45 . 1 1 33 33 LYS N N 15 118.8902 0.0538 . 1 . . . . 17 K N . 25034 1 46 . 1 1 34 34 ASN H H 1 8.5648 0.0039 . 1 . . . . 18 N H . 25034 1 47 . 1 1 34 34 ASN HA H 1 4.5513 0.0000 . 1 . . . . 18 N HA . 25034 1 48 . 1 1 34 34 ASN N N 15 117.9887 0.0330 . 1 . . . . 18 N N . 25034 1 49 . 1 1 35 35 GLU H H 1 7.9974 0.0074 . 1 . . . . 19 E H . 25034 1 50 . 1 1 35 35 GLU N N 15 123.6238 0.0450 . 1 . . . . 19 E N . 25034 1 51 . 1 1 36 36 PHE H H 1 8.4468 0.0024 . 1 . . . . 20 F H . 25034 1 52 . 1 1 36 36 PHE HA H 1 4.8912 0.0000 . 1 . . . . 20 F HA . 25034 1 53 . 1 1 36 36 PHE N N 15 117.6121 0.0045 . 1 . . . . 20 F N . 25034 1 54 . 1 1 37 37 LYS H H 1 8.9509 0.0059 . 1 . . . . 21 K H . 25034 1 55 . 1 1 37 37 LYS HA H 1 4.0123 0.0000 . 1 . . . . 21 K HA . 25034 1 56 . 1 1 37 37 LYS N N 15 122.7630 0.0282 . 1 . . . . 21 K N . 25034 1 57 . 1 1 38 38 ALA H H 1 7.8137 0.0026 . 1 . . . . 22 A H . 25034 1 58 . 1 1 38 38 ALA HB1 H 1 1.5882 0.0000 . 1 . . . . 22 A HB1 . 25034 1 59 . 1 1 38 38 ALA HB2 H 1 1.5882 0.0000 . 1 . . . . 22 A HB1 . 25034 1 60 . 1 1 38 38 ALA HB3 H 1 1.5882 0.0000 . 1 . . . . 22 A HB1 . 25034 1 61 . 1 1 38 38 ALA N N 15 121.5799 0.0351 . 1 . . . . 22 A N . 25034 1 62 . 1 1 39 39 ALA H H 1 7.8227 0.0000 . 1 . . . . 23 A H . 25034 1 63 . 1 1 39 39 ALA N N 15 120.7372 0.0000 . 1 . . . . 23 A N . 25034 1 64 . 1 1 41 41 ASP H H 1 8.5933 0.0041 . 1 . . . . 25 D H . 25034 1 65 . 1 1 41 41 ASP HA H 1 4.2190 0.0000 . 1 . . . . 25 D HA . 25034 1 66 . 1 1 41 41 ASP N N 15 116.7704 0.0406 . 1 . . . . 25 D N . 25034 1 67 . 1 1 42 42 ILE H H 1 7.2566 0.0050 . 1 . . . . 26 I H . 25034 1 68 . 1 1 42 42 ILE HA H 1 3.7954 0.0000 . 1 . . . . 26 I HA . 25034 1 69 . 1 1 42 42 ILE N N 15 119.3406 0.0321 . 1 . . . . 26 I N . 25034 1 70 . 1 1 43 43 PHE H H 1 8.2451 0.0024 . 1 . . . . 27 F H . 25034 1 71 . 1 1 43 43 PHE N N 15 123.3348 0.0290 . 1 . . . . 27 F N . 25034 1 72 . 1 1 44 44 VAL H H 1 7.5501 0.0034 . 1 . . . . 28 V H . 25034 1 73 . 1 1 44 44 VAL HA H 1 3.9960 0.0000 . 1 . . . . 28 V HA . 25034 1 74 . 1 1 44 44 VAL N N 15 106.1144 0.0338 . 1 . . . . 28 V N . 25034 1 75 . 1 1 45 45 LEU H H 1 7.2980 0.0038 . 1 . . . . 29 L H . 25034 1 76 . 1 1 45 45 LEU HA H 1 4.0789 0.0000 . 1 . . . . 29 L HA . 25034 1 77 . 1 1 45 45 LEU N N 15 125.8897 0.0208 . 1 . . . . 29 L N . 25034 1 78 . 1 1 46 46 GLY H H 1 8.8618 0.0030 . 1 . . . . 30 G H . 25034 1 79 . 1 1 46 46 GLY N N 15 112.2509 0.0370 . 1 . . . . 30 G N . 25034 1 80 . 1 1 47 47 ALA H H 1 7.9948 0.0039 . 1 . . . . 31 A H . 25034 1 81 . 1 1 47 47 ALA HA H 1 4.4397 0.0000 . 1 . . . . 31 A HA . 25034 1 82 . 1 1 47 47 ALA HB1 H 1 1.4969 0.0000 . 1 . . . . 31 A HB1 . 25034 1 83 . 1 1 47 47 ALA HB2 H 1 1.4969 0.0000 . 1 . . . . 31 A HB1 . 25034 1 84 . 1 1 47 47 ALA HB3 H 1 1.4969 0.0000 . 1 . . . . 31 A HB1 . 25034 1 85 . 1 1 47 47 ALA N N 15 124.2514 0.0278 . 1 . . . . 31 A N . 25034 1 86 . 1 1 48 48 GLU H H 1 9.1485 0.0022 . 1 . . . . 32 E H . 25034 1 87 . 1 1 48 48 GLU N N 15 124.8732 0.0119 . 1 . . . . 32 E N . 25034 1 88 . 1 1 49 49 ASP H H 1 8.1829 0.0041 . 1 . . . . 33 D H . 25034 1 89 . 1 1 49 49 ASP HA H 1 4.7443 0.0000 . 1 . . . . 33 D HA . 25034 1 90 . 1 1 49 49 ASP N N 15 115.8668 0.0313 . 1 . . . . 33 D N . 25034 1 91 . 1 1 50 50 GLY H H 1 7.6196 0.0057 . 1 . . . . 34 G H . 25034 1 92 . 1 1 50 50 GLY HA2 H 1 3.8611 0.0000 . 2 . . . . 34 G HA2 . 25034 1 93 . 1 1 50 50 GLY N N 15 105.7531 0.0561 . 1 . . . . 34 G N . 25034 1 94 . 1 1 51 51 SER H H 1 7.5605 0.0072 . 1 . . . . 35 S H . 25034 1 95 . 1 1 51 51 SER HA H 1 4.9145 0.0000 . 1 . . . . 35 S HA . 25034 1 96 . 1 1 51 51 SER N N 15 113.3550 0.0262 . 1 . . . . 35 S N . 25034 1 97 . 1 1 52 52 ILE H H 1 8.7848 0.0040 . 1 . . . . 36 I H . 25034 1 98 . 1 1 52 52 ILE HA H 1 3.7499 0.0000 . 1 . . . . 36 I HA . 25034 1 99 . 1 1 52 52 ILE N N 15 119.5204 0.0384 . 1 . . . . 36 I N . 25034 1 100 . 1 1 53 53 SER H H 1 9.4557 0.0039 . 1 . . . . 37 S H . 25034 1 101 . 1 1 53 53 SER HA H 1 5.0754 0.0000 . 1 . . . . 37 S HA . 25034 1 102 . 1 1 53 53 SER N N 15 126.0605 0.0621 . 1 . . . . 37 S N . 25034 1 103 . 1 1 54 54 THR H H 1 8.8245 0.0012 . 1 . . . . 38 T H . 25034 1 104 . 1 1 54 54 THR N N 15 111.8692 0.0329 . 1 . . . . 38 T N . 25034 1 105 . 1 1 55 55 LYS H H 1 8.0569 0.0051 . 1 . . . . 39 K H . 25034 1 106 . 1 1 55 55 LYS HA H 1 4.0541 0.0000 . 1 . . . . 39 K HA . 25034 1 107 . 1 1 55 55 LYS N N 15 123.2590 0.0245 . 1 . . . . 39 K N . 25034 1 108 . 1 1 56 56 GLU H H 1 7.7100 0.0044 . 1 . . . . 40 E H . 25034 1 109 . 1 1 56 56 GLU HA H 1 4.1743 0.0000 . 1 . . . . 40 E HA . 25034 1 110 . 1 1 56 56 GLU N N 15 119.4820 0.0371 . 1 . . . . 40 E N . 25034 1 111 . 1 1 57 57 LEU H H 1 8.3393 0.0013 . 1 . . . . 41 L H . 25034 1 112 . 1 1 57 57 LEU N N 15 119.3003 0.0199 . 1 . . . . 41 L N . 25034 1 113 . 1 1 58 58 GLY H H 1 8.5070 0.0057 . 1 . . . . 42 G H . 25034 1 114 . 1 1 58 58 GLY HA2 H 1 3.9522 0.0000 . 2 . . . . 42 G HA2 . 25034 1 115 . 1 1 58 58 GLY N N 15 106.0082 0.0222 . 1 . . . . 42 G N . 25034 1 116 . 1 1 59 59 LYS H H 1 7.3237 0.0024 . 1 . . . . 43 K H . 25034 1 117 . 1 1 59 59 LYS N N 15 120.9288 0.0265 . 1 . . . . 43 K N . 25034 1 118 . 1 1 60 60 VAL H H 1 7.5732 0.0045 . 1 . . . . 44 V H . 25034 1 119 . 1 1 60 60 VAL HA H 1 3.6187 0.0000 . 1 . . . . 44 V HA . 25034 1 120 . 1 1 60 60 VAL N N 15 119.6193 0.0313 . 1 . . . . 44 V N . 25034 1 121 . 1 1 61 61 MET H H 1 8.4246 0.0057 . 1 . . . . 45 M H . 25034 1 122 . 1 1 61 61 MET HA H 1 4.1848 0.0000 . 1 . . . . 45 M HA . 25034 1 123 . 1 1 61 61 MET N N 15 116.9251 0.0331 . 1 . . . . 45 M N . 25034 1 124 . 1 1 62 62 ARG H H 1 8.1338 0.0053 . 1 . . . . 46 R H . 25034 1 125 . 1 1 62 62 ARG N N 15 118.8399 0.0127 . 1 . . . . 46 R N . 25034 1 126 . 1 1 63 63 MET H H 1 7.8844 0.0052 . 1 . . . . 47 M H . 25034 1 127 . 1 1 63 63 MET HA H 1 4.2162 0.0000 . 1 . . . . 47 M HA . 25034 1 128 . 1 1 63 63 MET N N 15 122.3923 0.0307 . 1 . . . . 47 M N . 25034 1 129 . 1 1 64 64 LEU H H 1 7.5087 0.0039 . 1 . . . . 48 L H . 25034 1 130 . 1 1 64 64 LEU HA H 1 4.3895 0.0000 . 1 . . . . 48 L HA . 25034 1 131 . 1 1 64 64 LEU N N 15 117.6717 0.0347 . 1 . . . . 48 L N . 25034 1 132 . 1 1 65 65 GLY H H 1 7.8804 0.0037 . 1 . . . . 49 G H . 25034 1 133 . 1 1 65 65 GLY HA2 H 1 3.8196 0.0000 . 2 . . . . 49 G HA2 . 25034 1 134 . 1 1 65 65 GLY HA3 H 1 4.1929 0.0000 . 2 . . . . 49 G HA3 . 25034 1 135 . 1 1 65 65 GLY N N 15 107.5871 0.0524 . 1 . . . . 49 G N . 25034 1 136 . 1 1 66 66 GLN H H 1 8.0283 0.0030 . 1 . . . . 50 Q H . 25034 1 137 . 1 1 66 66 GLN HA H 1 4.2372 0.0000 . 1 . . . . 50 Q HA . 25034 1 138 . 1 1 66 66 GLN N N 15 118.1569 0.0046 . 1 . . . . 50 Q N . 25034 1 139 . 1 1 67 67 ASN H H 1 8.7121 0.0067 . 1 . . . . 51 N H . 25034 1 140 . 1 1 67 67 ASN HA H 1 5.1595 0.0000 . 1 . . . . 51 N HA . 25034 1 141 . 1 1 67 67 ASN N N 15 116.7855 0.0795 . 1 . . . . 51 N N . 25034 1 142 . 1 1 69 69 THR H H 1 8.8373 0.0000 . 1 . . . . 53 T H . 25034 1 143 . 1 1 69 69 THR N N 15 114.4821 0.0000 . 1 . . . . 53 T N . 25034 1 144 . 1 1 71 71 GLU H H 1 8.7725 0.0016 . 1 . . . . 55 E H . 25034 1 145 . 1 1 71 71 GLU N N 15 117.3173 0.0098 . 1 . . . . 55 E N . 25034 1 146 . 1 1 72 72 GLU H H 1 7.8127 0.0025 . 1 . . . . 56 E H . 25034 1 147 . 1 1 72 72 GLU N N 15 121.6761 0.0353 . 1 . . . . 56 E N . 25034 1 148 . 1 1 73 73 LEU H H 1 8.1191 0.0038 . 1 . . . . 57 L H . 25034 1 149 . 1 1 73 73 LEU N N 15 120.0304 0.0171 . 1 . . . . 57 L N . 25034 1 150 . 1 1 74 74 GLN H H 1 7.9936 0.0000 . 1 . . . . 58 Q H . 25034 1 151 . 1 1 74 74 GLN N N 15 117.9469 0.0000 . 1 . . . . 58 Q N . 25034 1 152 . 1 1 75 75 GLU H H 1 7.9220 0.0037 . 1 . . . . 59 E H . 25034 1 153 . 1 1 75 75 GLU HA H 1 4.0314 0.0000 . 1 . . . . 59 E HA . 25034 1 154 . 1 1 75 75 GLU N N 15 119.2013 0.0257 . 1 . . . . 59 E N . 25034 1 155 . 1 1 76 76 MET H H 1 7.6244 0.0046 . 1 . . . . 60 M H . 25034 1 156 . 1 1 76 76 MET HA H 1 3.9001 0.0000 . 1 . . . . 60 M HA . 25034 1 157 . 1 1 76 76 MET N N 15 117.5127 0.0192 . 1 . . . . 60 M N . 25034 1 158 . 1 1 77 77 ILE H H 1 7.3252 0.0031 . 1 . . . . 61 I H . 25034 1 159 . 1 1 77 77 ILE N N 15 118.0138 0.0091 . 1 . . . . 61 I N . 25034 1 160 . 1 1 78 78 ASP H H 1 8.7429 0.0023 . 1 . . . . 62 D H . 25034 1 161 . 1 1 78 78 ASP N N 15 119.4413 0.0000 . 1 . . . . 62 D N . 25034 1 162 . 1 1 79 79 GLU H H 1 7.5725 0.0048 . 1 . . . . 63 E H . 25034 1 163 . 1 1 79 79 GLU HA H 1 3.9941 0.0000 . 1 . . . . 63 E HA . 25034 1 164 . 1 1 79 79 GLU N N 15 116.0632 0.0380 . 1 . . . . 63 E N . 25034 1 165 . 1 1 80 80 VAL H H 1 7.2109 0.0035 . 1 . . . . 64 V H . 25034 1 166 . 1 1 80 80 VAL HA H 1 4.5722 0.0000 . 1 . . . . 64 V HA . 25034 1 167 . 1 1 80 80 VAL N N 15 107.1272 0.0585 . 1 . . . . 64 V N . 25034 1 168 . 1 1 81 81 ASP H H 1 7.5607 0.0000 . 1 . . . . 65 D H . 25034 1 169 . 1 1 81 81 ASP N N 15 121.9785 0.0000 . 1 . . . . 65 D N . 25034 1 170 . 1 1 82 82 GLU H H 1 8.5063 0.0051 . 1 . . . . 66 E H . 25034 1 171 . 1 1 82 82 GLU HA H 1 4.0919 0.0000 . 1 . . . . 66 E HA . 25034 1 172 . 1 1 82 82 GLU N N 15 128.4340 0.0413 . 1 . . . . 66 E N . 25034 1 173 . 1 1 83 83 ASP H H 1 7.9465 0.0043 . 1 . . . . 67 D H . 25034 1 174 . 1 1 83 83 ASP HA H 1 4.6918 0.0000 . 1 . . . . 67 D HA . 25034 1 175 . 1 1 83 83 ASP N N 15 114.3806 0.0481 . 1 . . . . 67 D N . 25034 1 176 . 1 1 84 84 GLY H H 1 7.7256 0.0056 . 1 . . . . 68 G H . 25034 1 177 . 1 1 84 84 GLY HA2 H 1 3.7590 0.0000 . 2 . . . . 68 G HA2 . 25034 1 178 . 1 1 84 84 GLY HA3 H 1 3.8542 0.0000 . 2 . . . . 68 G HA3 . 25034 1 179 . 1 1 84 84 GLY N N 15 108.9591 0.0360 . 1 . . . . 68 G N . 25034 1 180 . 1 1 85 85 SER H H 1 8.4747 0.0042 . 1 . . . . 69 S H . 25034 1 181 . 1 1 85 85 SER HA H 1 4.2140 0.0000 . 1 . . . . 69 S HA . 25034 1 182 . 1 1 85 85 SER N N 15 116.7026 0.0373 . 1 . . . . 69 S N . 25034 1 183 . 1 1 86 86 GLY H H 1 10.8406 0.0033 . 1 . . . . 70 G H . 25034 1 184 . 1 1 86 86 GLY HA2 H 1 3.5001 0.0000 . 2 . . . . 70 G HA2 . 25034 1 185 . 1 1 86 86 GLY HA3 H 1 4.2023 0.0000 . 2 . . . . 70 G HA3 . 25034 1 186 . 1 1 86 86 GLY N N 15 116.5515 0.0123 . 1 . . . . 70 G N . 25034 1 187 . 1 1 87 87 THR H H 1 7.6349 0.0048 . 1 . . . . 71 T H . 25034 1 188 . 1 1 87 87 THR HA H 1 4.9246 0.0000 . 1 . . . . 71 T HA . 25034 1 189 . 1 1 87 87 THR N N 15 107.6691 0.0457 . 1 . . . . 71 T N . 25034 1 190 . 1 1 88 88 VAL H H 1 9.7520 0.0049 . 1 . . . . 72 V H . 25034 1 191 . 1 1 88 88 VAL HA H 1 5.0201 0.0000 . 1 . . . . 72 V HA . 25034 1 192 . 1 1 88 88 VAL N N 15 127.2945 0.0479 . 1 . . . . 72 V N . 25034 1 193 . 1 1 89 89 ASP H H 1 8.7785 0.0042 . 1 . . . . 73 D H . 25034 1 194 . 1 1 89 89 ASP HA H 1 5.0793 0.0000 . 1 . . . . 73 D HA . 25034 1 195 . 1 1 89 89 ASP N N 15 129.0031 0.0400 . 1 . . . . 73 D N . 25034 1 196 . 1 1 90 90 PHE H H 1 8.5519 0.0040 . 1 . . . . 74 F H . 25034 1 197 . 1 1 90 90 PHE N N 15 118.1654 0.0599 . 1 . . . . 74 F N . 25034 1 198 . 1 1 91 91 ASP H H 1 7.6156 0.0049 . 1 . . . . 75 D H . 25034 1 199 . 1 1 91 91 ASP HA H 1 3.9485 0.0000 . 1 . . . . 75 D HA . 25034 1 200 . 1 1 91 91 ASP N N 15 116.9802 0.0655 . 1 . . . . 75 D N . 25034 1 201 . 1 1 92 92 GLU H H 1 8.1890 0.0043 . 1 . . . . 76 E H . 25034 1 202 . 1 1 92 92 GLU HA H 1 4.0621 0.0000 . 1 . . . . 76 E HA . 25034 1 203 . 1 1 92 92 GLU N N 15 120.8196 0.0534 . 1 . . . . 76 E N . 25034 1 204 . 1 1 93 93 PHE H H 1 9.0180 0.0022 . 1 . . . . 77 F H . 25034 1 205 . 1 1 93 93 PHE N N 15 123.2188 0.0297 . 1 . . . . 77 F N . 25034 1 206 . 1 1 94 94 LEU H H 1 7.8275 0.0000 . 1 . . . . 78 L H . 25034 1 207 . 1 1 94 94 LEU N N 15 118.5530 0.0129 . 1 . . . . 78 L N . 25034 1 208 . 1 1 95 95 VAL H H 1 6.8107 0.0000 . 1 . . . . 79 V H . 25034 1 209 . 1 1 95 95 VAL N N 15 117.6666 0.0069 . 1 . . . . 79 V N . 25034 1 210 . 1 1 96 96 MET H H 1 8.0453 0.0011 . 1 . . . . 80 M H . 25034 1 211 . 1 1 96 96 MET HA H 1 3.9581 0.0000 . 1 . . . . 80 M HA . 25034 1 212 . 1 1 96 96 MET N N 15 120.1555 0.0578 . 1 . . . . 80 M N . 25034 1 213 . 1 1 98 98 VAL H H 1 8.1904 0.0000 . 1 . . . . 82 V H . 25034 1 214 . 1 1 98 98 VAL N N 15 116.5870 0.0000 . 1 . . . . 82 V N . 25034 1 215 . 1 1 100 100 CYS H H 1 7.7996 0.0013 . 1 . . . . 84 C H . 25034 1 216 . 1 1 100 100 CYS N N 15 115.8189 0.0189 . 1 . . . . 84 C N . 25034 1 217 . 1 1 101 101 MET H H 1 7.9239 0.0029 . 1 . . . . 85 M H . 25034 1 218 . 1 1 101 101 MET N N 15 120.0201 0.0700 . 1 . . . . 85 M N . 25034 1 219 . 1 1 102 102 LYS H H 1 7.8048 0.0000 . 1 . . . . 86 K H . 25034 1 220 . 1 1 102 102 LYS N N 15 121.0592 0.0000 . 1 . . . . 86 K N . 25034 1 221 . 1 1 114 114 VAL H H 1 8.1190 0.0235 . 1 . . . . 146 V H . 25034 1 222 . 1 1 114 114 VAL N N 15 121.1590 0.0458 . 1 . . . . 146 V N . 25034 1 223 . 1 1 115 115 ARG H H 1 8.3292 0.0041 . 1 . . . . 147 R H . 25034 1 224 . 1 1 115 115 ARG HA H 1 4.4580 0.0007 . 1 . . . . 147 R HA . 25034 1 225 . 1 1 115 115 ARG N N 15 125.2396 0.0178 . 1 . . . . 147 R N . 25034 1 226 . 1 1 116 116 ILE H H 1 8.0789 0.0027 . 1 . . . . 148 I H . 25034 1 227 . 1 1 116 116 ILE HB H 1 1.7893 0.0000 . 1 . . . . 148 I HB . 25034 1 228 . 1 1 116 116 ILE N N 15 121.5181 0.0246 . 1 . . . . 148 I N . 25034 1 229 . 1 1 118 118 ALA H H 1 8.6549 0.0010 . 1 . . . . 150 A H . 25034 1 230 . 1 1 118 118 ALA N N 15 128.2852 0.0000 . 1 . . . . 150 A N . 25034 1 231 . 1 1 119 119 ASP H H 1 8.4699 0.0039 . 1 . . . . 151 D H . 25034 1 232 . 1 1 119 119 ASP HA H 1 4.3179 0.0000 . 1 . . . . 151 D HA . 25034 1 233 . 1 1 119 119 ASP N N 15 116.0516 0.0213 . 1 . . . . 151 D N . 25034 1 234 . 1 1 120 120 ALA H H 1 7.7862 0.0042 . 1 . . . . 152 A H . 25034 1 235 . 1 1 120 120 ALA HA H 1 4.1198 0.0000 . 1 . . . . 152 A HA . 25034 1 236 . 1 1 120 120 ALA N N 15 122.6803 0.0341 . 1 . . . . 152 A N . 25034 1 237 . 1 1 121 121 MET H H 1 8.1796 0.0039 . 1 . . . . 153 M H . 25034 1 238 . 1 1 121 121 MET N N 15 118.6461 0.0092 . 1 . . . . 153 M N . 25034 1 239 . 1 1 122 122 MET H H 1 8.4838 0.0060 . 1 . . . . 154 M H . 25034 1 240 . 1 1 122 122 MET HA H 1 4.3877 0.0000 . 1 . . . . 154 M HA . 25034 1 241 . 1 1 122 122 MET N N 15 117.2705 0.0684 . 1 . . . . 154 M N . 25034 1 242 . 1 1 123 123 GLN H H 1 8.1537 0.0066 . 1 . . . . 155 Q H . 25034 1 243 . 1 1 123 123 GLN HA H 1 4.0042 0.0000 . 1 . . . . 155 Q HA . 25034 1 244 . 1 1 123 123 GLN N N 15 118.3606 0.0380 . 1 . . . . 155 Q N . 25034 1 245 . 1 1 124 124 ALA H H 1 7.8681 0.0027 . 1 . . . . 156 A H . 25034 1 246 . 1 1 124 124 ALA HB1 H 1 1.5014 0.0000 . 1 . . . . 156 A HB1 . 25034 1 247 . 1 1 124 124 ALA HB2 H 1 1.5014 0.0000 . 1 . . . . 156 A HB1 . 25034 1 248 . 1 1 124 124 ALA HB3 H 1 1.5014 0.0000 . 1 . . . . 156 A HB1 . 25034 1 249 . 1 1 124 124 ALA N N 15 121.4586 0.0000 . 1 . . . . 156 A N . 25034 1 250 . 1 1 125 125 LEU H H 1 7.9822 0.0078 . 1 . . . . 157 L H . 25034 1 251 . 1 1 125 125 LEU HA H 1 4.1642 0.0000 . 1 . . . . 157 L HA . 25034 1 252 . 1 1 125 125 LEU N N 15 116.1927 0.0000 . 1 . . . . 157 L N . 25034 1 253 . 1 1 126 126 LEU H H 1 8.2556 0.0037 . 1 . . . . 158 L H . 25034 1 254 . 1 1 126 126 LEU HA H 1 4.3333 0.0000 . 1 . . . . 158 L HA . 25034 1 255 . 1 1 126 126 LEU N N 15 116.0763 0.0000 . 1 . . . . 158 L N . 25034 1 256 . 1 1 127 127 GLY H H 1 7.8691 0.0022 . 1 . . . . 159 G H . 25034 1 257 . 1 1 127 127 GLY HA2 H 1 3.9925 0.0000 . 2 . . . . 159 G HA2 . 25034 1 258 . 1 1 127 127 GLY N N 15 108.6521 0.0000 . 1 . . . . 159 G N . 25034 1 259 . 1 1 128 128 ALA H H 1 8.1705 0.0040 . 1 . . . . 160 A H . 25034 1 260 . 1 1 128 128 ALA HA H 1 4.2659 0.0035 . 1 . . . . 160 A HA . 25034 1 261 . 1 1 128 128 ALA HB1 H 1 1.4412 0.0068 . 1 . . . . 160 A HB1 . 25034 1 262 . 1 1 128 128 ALA HB2 H 1 1.4412 0.0068 . 1 . . . . 160 A HB1 . 25034 1 263 . 1 1 128 128 ALA HB3 H 1 1.4412 0.0068 . 1 . . . . 160 A HB1 . 25034 1 264 . 1 1 128 128 ALA N N 15 124.0892 0.0408 . 1 . . . . 160 A N . 25034 1 265 . 1 1 129 129 ARG H H 1 8.0172 0.0021 . 1 . . . . 161 R H . 25034 1 266 . 1 1 129 129 ARG HA H 1 4.2464 0.0000 . 1 . . . . 161 R HA . 25034 1 267 . 1 1 129 129 ARG HB2 H 1 1.9271 0.0047 . 2 . . . . 161 R HB2 . 25034 1 268 . 1 1 129 129 ARG HB3 H 1 1.8210 0.0090 . 2 . . . . 161 R HB3 . 25034 1 269 . 1 1 129 129 ARG HG2 H 1 1.6950 0.0000 . 2 . . . . 161 R HG2 . 25034 1 270 . 1 1 129 129 ARG N N 15 118.0673 0.0097 . 1 . . . . 161 R N . 25034 1 271 . 1 1 137 137 ARG H H 1 8.1648 0.0000 . 1 . . . . 169 R H . 25034 1 272 . 1 1 137 137 ARG N N 15 119.4646 0.0000 . 1 . . . . 169 R N . 25034 1 273 . 1 1 138 138 ALA H H 1 7.9755 0.0000 . 1 . . . . 170 A H . 25034 1 274 . 1 1 138 138 ALA N N 15 123.0286 0.0000 . 1 . . . . 170 A N . 25034 1 275 . 1 1 140 140 LEU H H 1 8.1493 0.0000 . 1 . . . . 172 L H . 25034 1 276 . 1 1 140 140 LEU N N 15 122.8658 0.0000 . 1 . . . . 172 L N . 25034 1 277 . 1 1 141 141 LYS H H 1 7.7505 0.0000 . 1 . . . . 173 K H . 25034 1 278 . 1 1 141 141 LYS N N 15 126.6915 0.0000 . 1 . . . . 173 K N . 25034 1 stop_ save_