################################### # 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 50444 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'GMCSF Low pH' _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' . . . 50444 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 . . 50444 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 ALA H H 1 8.261 0.02 . 1 . . . . . 3 A H . 50444 1 2 . 1 . 1 1 1 ALA N N 15 125.566 0.25 . 1 . . . . . 3 A N . 50444 1 3 . 1 . 1 2 2 ARG H H 1 8.173 0.02 . 1 . . . . . 4 R H . 50444 1 4 . 1 . 1 2 2 ARG N N 15 121.346 0.25 . 1 . . . . . 4 R N . 50444 1 5 . 1 . 1 3 3 SER H H 1 8.264 0.02 . 1 . . . . . 5 S H . 50444 1 6 . 1 . 1 3 3 SER N N 15 119.922 0.25 . 1 . . . . . 5 S N . 50444 1 7 . 1 . 1 5 5 SER H H 1 8.211 0.02 . 1 . . . . . 7 S H . 50444 1 8 . 1 . 1 5 5 SER N N 15 116.483 0.25 . 1 . . . . . 7 S N . 50444 1 9 . 1 . 1 7 7 SER H H 1 8.255 0.02 . 1 . . . . . 9 S H . 50444 1 10 . 1 . 1 7 7 SER N N 15 118.552 0.25 . 1 . . . . . 9 S N . 50444 1 11 . 1 . 1 8 8 THR H H 1 7.962 0.02 . 1 . . . . . 10 T H . 50444 1 12 . 1 . 1 8 8 THR N N 15 116.343 0.25 . 1 . . . . . 10 T N . 50444 1 13 . 1 . 1 11 11 TRP H H 1 8.798 0.02 . 1 . . . . . 13 W H . 50444 1 14 . 1 . 1 11 11 TRP N N 15 125.211 0.25 . 1 . . . . . 13 W N . 50444 1 15 . 1 . 1 15 15 ASN H H 1 7.718 0.02 . 1 . . . . . 17 N H . 50444 1 16 . 1 . 1 15 15 ASN N N 15 117.978 0.25 . 1 . . . . . 17 N N . 50444 1 17 . 1 . 1 16 16 ALA H H 1 7.465 0.02 . 1 . . . . . 18 A H . 50444 1 18 . 1 . 1 16 16 ALA N N 15 123.230 0.25 . 1 . . . . . 18 A N . 50444 1 19 . 1 . 1 17 17 ILE H H 1 7.644 0.02 . 1 . . . . . 19 I H . 50444 1 20 . 1 . 1 17 17 ILE N N 15 119.107 0.25 . 1 . . . . . 19 I N . 50444 1 21 . 1 . 1 18 18 GLN H H 1 7.931 0.02 . 1 . . . . . 20 Q H . 50444 1 22 . 1 . 1 18 18 GLN N N 15 118.334 0.25 . 1 . . . . . 20 Q N . 50444 1 23 . 1 . 1 19 19 GLU H H 1 8.386 0.02 . 1 . . . . . 21 E H . 50444 1 24 . 1 . 1 19 19 GLU N N 15 122.070 0.25 . 1 . . . . . 21 E N . 50444 1 25 . 1 . 1 20 20 ALA H H 1 8.272 0.02 . 1 . . . . . 22 A H . 50444 1 26 . 1 . 1 20 20 ALA N N 15 122.370 0.25 . 1 . . . . . 22 A N . 50444 1 27 . 1 . 1 21 21 ARG H H 1 8.098 0.02 . 1 . . . . . 23 R H . 50444 1 28 . 1 . 1 21 21 ARG N N 15 115.760 0.25 . 1 . . . . . 23 R N . 50444 1 29 . 1 . 1 22 22 ARG H H 1 7.705 0.02 . 1 . . . . . 24 R H . 50444 1 30 . 1 . 1 22 22 ARG N N 15 120.863 0.25 . 1 . . . . . 24 R N . 50444 1 31 . 1 . 1 23 23 LEU H H 1 8.343 0.02 . 1 . . . . . 25 L H . 50444 1 32 . 1 . 1 23 23 LEU N N 15 119.458 0.25 . 1 . . . . . 25 L N . 50444 1 33 . 1 . 1 24 24 LEU H H 1 7.626 0.02 . 1 . . . . . 26 L H . 50444 1 34 . 1 . 1 24 24 LEU N N 15 120.955 0.25 . 1 . . . . . 26 L N . 50444 1 35 . 1 . 1 25 25 ASN H H 1 7.555 0.02 . 1 . . . . . 27 N H . 50444 1 36 . 1 . 1 25 25 ASN N N 15 118.319 0.25 . 1 . . . . . 27 N N . 50444 1 37 . 1 . 1 26 26 LEU H H 1 7.324 0.02 . 1 . . . . . 28 L H . 50444 1 38 . 1 . 1 26 26 LEU N N 15 118.607 0.25 . 1 . . . . . 28 L N . 50444 1 39 . 1 . 1 27 27 SER H H 1 7.211 0.02 . 1 . . . . . 29 S H . 50444 1 40 . 1 . 1 27 27 SER N N 15 116.361 0.25 . 1 . . . . . 29 S N . 50444 1 41 . 1 . 1 28 28 ARG H H 1 8.021 0.02 . 1 . . . . . 30 R H . 50444 1 42 . 1 . 1 28 28 ARG N N 15 125.553 0.25 . 1 . . . . . 30 R N . 50444 1 43 . 1 . 1 29 29 ASP H H 1 8.313 0.02 . 1 . . . . . 31 D H . 50444 1 44 . 1 . 1 29 29 ASP N N 15 122.233 0.25 . 1 . . . . . 31 D N . 50444 1 45 . 1 . 1 30 30 THR H H 1 8.264 0.02 . 1 . . . . . 32 T H . 50444 1 46 . 1 . 1 30 30 THR N N 15 114.854 0.25 . 1 . . . . . 32 T N . 50444 1 47 . 1 . 1 31 31 ALA H H 1 8.433 0.02 . 1 . . . . . 33 A H . 50444 1 48 . 1 . 1 31 31 ALA N N 15 126.477 0.25 . 1 . . . . . 33 A N . 50444 1 49 . 1 . 1 33 33 GLU H H 1 7.984 0.02 . 1 . . . . . 35 E H . 50444 1 50 . 1 . 1 33 33 GLU N N 15 119.902 0.25 . 1 . . . . . 35 E N . 50444 1 51 . 1 . 1 34 34 MET H H 1 7.693 0.02 . 1 . . . . . 36 M H . 50444 1 52 . 1 . 1 34 34 MET N N 15 118.240 0.25 . 1 . . . . . 36 M N . 50444 1 53 . 1 . 1 36 36 GLU H H 1 7.534 0.02 . 1 . . . . . 38 E H . 50444 1 54 . 1 . 1 36 36 GLU N N 15 121.442 0.25 . 1 . . . . . 38 E N . 50444 1 55 . 1 . 1 37 37 THR H H 1 8.043 0.02 . 1 . . . . . 39 T H . 50444 1 56 . 1 . 1 37 37 THR N N 15 113.365 0.25 . 1 . . . . . 39 T N . 50444 1 57 . 1 . 1 38 38 VAL H H 1 8.910 0.02 . 1 . . . . . 40 V H . 50444 1 58 . 1 . 1 38 38 VAL N N 15 117.161 0.25 . 1 . . . . . 40 V N . 50444 1 59 . 1 . 1 39 39 GLU H H 1 7.690 0.02 . 1 . . . . . 41 E H . 50444 1 60 . 1 . 1 39 39 GLU N N 15 124.201 0.25 . 1 . . . . . 41 E N . 50444 1 61 . 1 . 1 40 40 VAL H H 1 8.423 0.02 . 1 . . . . . 42 V H . 50444 1 62 . 1 . 1 40 40 VAL N N 15 114.815 0.25 . 1 . . . . . 42 V N . 50444 1 63 . 1 . 1 42 42 SER H H 1 8.494 0.02 . 1 . . . . . 44 S H . 50444 1 64 . 1 . 1 42 42 SER N N 15 124.119 0.25 . 1 . . . . . 44 S N . 50444 1 65 . 1 . 1 43 43 GLU H H 1 8.236 0.02 . 1 . . . . . 45 E H . 50444 1 66 . 1 . 1 43 43 GLU N N 15 124.117 0.25 . 1 . . . . . 45 E N . 50444 1 67 . 1 . 1 45 45 PHE N N 15 65.186 0.25 . 1 . . . . . 47 F N . 50444 1 68 . 1 . 1 46 46 ASP H H 1 8.180 0.02 . 1 . . . . . 48 D H . 50444 1 69 . 1 . 1 46 46 ASP N N 15 129.937 0.25 . 1 . . . . . 48 D N . 50444 1 70 . 1 . 1 47 47 LEU H H 1 8.074 0.02 . 1 . . . . . 49 L H . 50444 1 71 . 1 . 1 47 47 LEU N N 15 124.819 0.25 . 1 . . . . . 49 L N . 50444 1 72 . 1 . 1 48 48 GLN H H 1 7.877 0.02 . 1 . . . . . 50 Q H . 50444 1 73 . 1 . 1 48 48 GLN N N 15 115.060 0.25 . 1 . . . . . 50 Q N . 50444 1 74 . 1 . 1 49 49 GLU H H 1 6.862 0.02 . 1 . . . . . 51 E H . 50444 1 75 . 1 . 1 49 49 GLU N N 15 117.366 0.25 . 1 . . . . . 51 E N . 50444 1 76 . 1 . 1 51 51 THR H H 1 7.307 0.02 . 1 . . . . . 53 T H . 50444 1 77 . 1 . 1 51 51 THR N N 15 111.143 0.25 . 1 . . . . . 53 T N . 50444 1 78 . 1 . 1 52 52 CYS H H 1 8.157 0.02 . 1 . . . . . 54 C H . 50444 1 79 . 1 . 1 52 52 CYS N N 15 123.799 0.25 . 1 . . . . . 54 C N . 50444 1 80 . 1 . 1 53 53 LEU H H 1 7.709 0.02 . 1 . . . . . 55 L H . 50444 1 81 . 1 . 1 53 53 LEU N N 15 120.478 0.25 . 1 . . . . . 55 L N . 50444 1 82 . 1 . 1 54 54 GLN H H 1 7.962 0.02 . 1 . . . . . 56 Q H . 50444 1 83 . 1 . 1 54 54 GLN N N 15 120.619 0.25 . 1 . . . . . 56 Q N . 50444 1 84 . 1 . 1 55 55 THR H H 1 9.067 0.02 . 1 . . . . . 57 T H . 50444 1 85 . 1 . 1 55 55 THR N N 15 120.406 0.25 . 1 . . . . . 57 T N . 50444 1 86 . 1 . 1 56 56 ARG H H 1 8.182 0.02 . 1 . . . . . 58 R H . 50444 1 87 . 1 . 1 56 56 ARG N N 15 123.011 0.25 . 1 . . . . . 58 R N . 50444 1 88 . 1 . 1 57 57 LEU H H 1 7.559 0.02 . 1 . . . . . 59 L H . 50444 1 89 . 1 . 1 57 57 LEU N N 15 117.860 0.25 . 1 . . . . . 59 L N . 50444 1 90 . 1 . 1 60 60 TYR H H 1 8.513 0.02 . 1 . . . . . 62 Y H . 50444 1 91 . 1 . 1 60 60 TYR N N 15 120.457 0.25 . 1 . . . . . 62 Y N . 50444 1 92 . 1 . 1 61 61 LYS H H 1 7.932 0.02 . 1 . . . . . 63 K H . 50444 1 93 . 1 . 1 61 61 LYS N N 15 117.489 0.25 . 1 . . . . . 63 K N . 50444 1 94 . 1 . 1 62 62 GLN H H 1 8.062 0.02 . 1 . . . . . 64 Q H . 50444 1 95 . 1 . 1 62 62 GLN N N 15 117.477 0.25 . 1 . . . . . 64 Q N . 50444 1 96 . 1 . 1 63 63 GLY H H 1 7.699 0.02 . 1 . . . . . 65 G H . 50444 1 97 . 1 . 1 63 63 GLY N N 15 107.250 0.25 . 1 . . . . . 65 G N . 50444 1 98 . 1 . 1 64 64 LEU H H 1 6.709 0.02 . 1 . . . . . 66 L H . 50444 1 99 . 1 . 1 64 64 LEU N N 15 115.604 0.25 . 1 . . . . . 66 L N . 50444 1 100 . 1 . 1 65 65 ARG H H 1 6.472 0.02 . 1 . . . . . 67 R H . 50444 1 101 . 1 . 1 65 65 ARG N N 15 118.589 0.25 . 1 . . . . . 67 R N . 50444 1 102 . 1 . 1 66 66 GLY H H 1 8.703 0.02 . 1 . . . . . 68 G H . 50444 1 103 . 1 . 1 66 66 GLY N N 15 109.789 0.25 . 1 . . . . . 68 G N . 50444 1 104 . 1 . 1 68 68 LEU H H 1 7.898 0.02 . 1 . . . . . 70 L H . 50444 1 105 . 1 . 1 68 68 LEU N N 15 119.876 0.25 . 1 . . . . . 70 L N . 50444 1 106 . 1 . 1 69 69 THR H H 1 7.825 0.02 . 1 . . . . . 71 T H . 50444 1 107 . 1 . 1 69 69 THR N N 15 114.108 0.25 . 1 . . . . . 71 T N . 50444 1 108 . 1 . 1 70 70 LYS H H 1 7.157 0.02 . 1 . . . . . 72 K H . 50444 1 109 . 1 . 1 70 70 LYS N N 15 120.436 0.25 . 1 . . . . . 72 K N . 50444 1 110 . 1 . 1 71 71 LEU H H 1 8.031 0.02 . 1 . . . . . 73 L H . 50444 1 111 . 1 . 1 71 71 LEU N N 15 118.766 0.25 . 1 . . . . . 73 L N . 50444 1 112 . 1 . 1 72 72 LYS H H 1 7.615 0.02 . 1 . . . . . 74 K H . 50444 1 113 . 1 . 1 72 72 LYS N N 15 123.183 0.25 . 1 . . . . . 74 K N . 50444 1 114 . 1 . 1 73 73 GLY H H 1 8.505 0.02 . 1 . . . . . 75 G H . 50444 1 115 . 1 . 1 73 73 GLY N N 15 108.083 0.25 . 1 . . . . . 75 G N . 50444 1 116 . 1 . 1 75 75 LEU H H 1 8.093 0.02 . 1 . . . . . 77 L H . 50444 1 117 . 1 . 1 75 75 LEU N N 15 116.132 0.25 . 1 . . . . . 77 L N . 50444 1 118 . 1 . 1 76 76 THR H H 1 7.978 0.02 . 1 . . . . . 78 T H . 50444 1 119 . 1 . 1 76 76 THR N N 15 118.446 0.25 . 1 . . . . . 78 T N . 50444 1 120 . 1 . 1 77 77 MET H H 1 8.378 0.02 . 1 . . . . . 79 M H . 50444 1 121 . 1 . 1 77 77 MET N N 15 121.176 0.25 . 1 . . . . . 79 M N . 50444 1 122 . 1 . 1 78 78 MET H H 1 8.016 0.02 . 1 . . . . . 80 M H . 50444 1 123 . 1 . 1 78 78 MET N N 15 121.195 0.25 . 1 . . . . . 80 M N . 50444 1 124 . 1 . 1 79 79 ALA H H 1 8.065 0.02 . 1 . . . . . 81 A H . 50444 1 125 . 1 . 1 79 79 ALA N N 15 121.008 0.25 . 1 . . . . . 81 A N . 50444 1 126 . 1 . 1 80 80 SER H H 1 8.054 0.02 . 1 . . . . . 82 S H . 50444 1 127 . 1 . 1 80 80 SER N N 15 113.517 0.25 . 1 . . . . . 82 S N . 50444 1 128 . 1 . 1 81 81 HIS H H 1 8.012 0.02 . 1 . . . . . 83 H H . 50444 1 129 . 1 . 1 81 81 HIS N N 15 122.122 0.25 . 1 . . . . . 83 H N . 50444 1 130 . 1 . 1 82 82 TYR H H 1 8.094 0.02 . 1 . . . . . 84 Y H . 50444 1 131 . 1 . 1 82 82 TYR N N 15 117.365 0.25 . 1 . . . . . 84 Y N . 50444 1 132 . 1 . 1 83 83 LYS H H 1 7.841 0.02 . 1 . . . . . 85 K H . 50444 1 133 . 1 . 1 83 83 LYS N N 15 120.171 0.25 . 1 . . . . . 85 K N . 50444 1 134 . 1 . 1 84 84 GLN H H 1 7.677 0.02 . 1 . . . . . 86 Q H . 50444 1 135 . 1 . 1 84 84 GLN N N 15 114.832 0.25 . 1 . . . . . 86 Q N . 50444 1 136 . 1 . 1 85 85 HIS H H 1 7.690 0.02 . 1 . . . . . 87 H H . 50444 1 137 . 1 . 1 85 85 HIS N N 15 112.271 0.25 . 1 . . . . . 87 H N . 50444 1 138 . 1 . 1 86 86 CYS H H 1 7.493 0.02 . 1 . . . . . 88 C H . 50444 1 139 . 1 . 1 86 86 CYS N N 15 116.313 0.25 . 1 . . . . . 88 C N . 50444 1 140 . 1 . 1 93 93 SER H H 1 8.393 0.02 . 1 . . . . . 95 S H . 50444 1 141 . 1 . 1 93 93 SER N N 15 119.803 0.25 . 1 . . . . . 95 S N . 50444 1 142 . 1 . 1 94 94 CYS H H 1 8.328 0.02 . 1 . . . . . 96 C H . 50444 1 143 . 1 . 1 94 94 CYS N N 15 123.910 0.25 . 1 . . . . . 96 C N . 50444 1 144 . 1 . 1 96 96 THR H H 1 7.969 0.02 . 1 . . . . . 98 T H . 50444 1 145 . 1 . 1 96 96 THR N N 15 110.944 0.25 . 1 . . . . . 98 T N . 50444 1 146 . 1 . 1 97 97 GLN H H 1 8.804 0.02 . 1 . . . . . 99 Q H . 50444 1 147 . 1 . 1 97 97 GLN N N 15 117.503 0.25 . 1 . . . . . 99 Q N . 50444 1 148 . 1 . 1 98 98 ILE H H 1 8.222 0.02 . 1 . . . . . 100 I H . 50444 1 149 . 1 . 1 98 98 ILE N N 15 123.074 0.25 . 1 . . . . . 100 I N . 50444 1 150 . 1 . 1 99 99 ILE H H 1 8.893 0.02 . 1 . . . . . 101 I H . 50444 1 151 . 1 . 1 99 99 ILE N N 15 123.201 0.25 . 1 . . . . . 101 I N . 50444 1 152 . 1 . 1 100 100 THR H H 1 8.099 0.02 . 1 . . . . . 102 T H . 50444 1 153 . 1 . 1 100 100 THR N N 15 109.737 0.25 . 1 . . . . . 102 T N . 50444 1 154 . 1 . 1 101 101 PHE H H 1 8.609 0.02 . 1 . . . . . 103 F H . 50444 1 155 . 1 . 1 101 101 PHE N N 15 123.397 0.25 . 1 . . . . . 103 F N . 50444 1 156 . 1 . 1 102 102 GLU H H 1 8.582 0.02 . 1 . . . . . 104 E H . 50444 1 157 . 1 . 1 102 102 GLU N N 15 118.548 0.25 . 1 . . . . . 104 E N . 50444 1 158 . 1 . 1 103 103 SER H H 1 7.553 0.02 . 1 . . . . . 105 S H . 50444 1 159 . 1 . 1 103 103 SER N N 15 116.775 0.25 . 1 . . . . . 105 S N . 50444 1 160 . 1 . 1 104 104 PHE H H 1 8.803 0.02 . 1 . . . . . 106 F H . 50444 1 161 . 1 . 1 104 104 PHE N N 15 127.123 0.25 . 1 . . . . . 106 F N . 50444 1 162 . 1 . 1 105 105 LYS H H 1 7.719 0.02 . 1 . . . . . 107 K H . 50444 1 163 . 1 . 1 105 105 LYS N N 15 119.415 0.25 . 1 . . . . . 107 K N . 50444 1 164 . 1 . 1 106 106 GLU H H 1 6.803 0.02 . 1 . . . . . 108 E H . 50444 1 165 . 1 . 1 106 106 GLU N N 15 118.434 0.25 . 1 . . . . . 108 E N . 50444 1 166 . 1 . 1 107 107 ASN H H 1 8.022 0.02 . 1 . . . . . 109 N H . 50444 1 167 . 1 . 1 107 107 ASN N N 15 120.978 0.25 . 1 . . . . . 109 N N . 50444 1 168 . 1 . 1 108 108 LEU H H 1 8.208 0.02 . 1 . . . . . 110 L H . 50444 1 169 . 1 . 1 108 108 LEU N N 15 120.448 0.25 . 1 . . . . . 110 L N . 50444 1 170 . 1 . 1 110 110 ASP H H 1 7.924 0.02 . 1 . . . . . 112 D H . 50444 1 171 . 1 . 1 110 110 ASP N N 15 118.658 0.25 . 1 . . . . . 112 D N . 50444 1 172 . 1 . 1 111 111 PHE H H 1 7.840 0.02 . 1 . . . . . 113 F H . 50444 1 173 . 1 . 1 111 111 PHE N N 15 122.621 0.25 . 1 . . . . . 113 F N . 50444 1 174 . 1 . 1 112 112 LEU H H 1 8.237 0.02 . 1 . . . . . 114 L H . 50444 1 175 . 1 . 1 112 112 LEU N N 15 117.113 0.25 . 1 . . . . . 114 L N . 50444 1 176 . 1 . 1 113 113 LEU H H 1 7.398 0.02 . 1 . . . . . 115 L H . 50444 1 177 . 1 . 1 113 113 LEU N N 15 118.931 0.25 . 1 . . . . . 115 L N . 50444 1 178 . 1 . 1 114 114 VAL H H 1 7.080 0.02 . 1 . . . . . 116 V H . 50444 1 179 . 1 . 1 114 114 VAL N N 15 115.196 0.25 . 1 . . . . . 116 V N . 50444 1 180 . 1 . 1 115 115 ILE H H 1 6.962 0.02 . 1 . . . . . 117 I H . 50444 1 181 . 1 . 1 115 115 ILE N N 15 122.132 0.25 . 1 . . . . . 117 I N . 50444 1 182 . 1 . 1 117 117 PHE H H 1 8.599 0.02 . 1 . . . . . 119 F H . 50444 1 183 . 1 . 1 117 117 PHE N N 15 121.567 0.25 . 1 . . . . . 119 F N . 50444 1 184 . 1 . 1 118 118 ASP H H 1 8.003 0.02 . 1 . . . . . 120 D H . 50444 1 185 . 1 . 1 118 118 ASP N N 15 118.819 0.25 . 1 . . . . . 120 D N . 50444 1 186 . 1 . 1 119 119 CYS H H 1 8.154 0.02 . 1 . . . . . 121 C H . 50444 1 187 . 1 . 1 119 119 CYS N N 15 116.450 0.25 . 1 . . . . . 121 C N . 50444 1 188 . 1 . 1 120 120 TRP H H 1 10.531 0.02 . 1 . . . . . 122 W H . 50444 1 189 . 1 . 1 120 120 TRP N N 15 119.395 0.25 . 1 . . . . . 122 W N . 50444 1 190 . 1 . 1 123 123 VAL H H 1 8.332 0.02 . 1 . . . . . 125 V H . 50444 1 191 . 1 . 1 123 123 VAL N N 15 122.246 0.25 . 1 . . . . . 125 V N . 50444 1 192 . 1 . 1 124 124 GLN H H 1 8.360 0.02 . 1 . . . . . 126 Q H . 50444 1 193 . 1 . 1 124 124 GLN N N 15 126.275 0.25 . 1 . . . . . 126 Q N . 50444 1 194 . 1 . 1 125 125 GLU H H 1 7.989 0.02 . 1 . . . . . 127 E H . 50444 1 195 . 1 . 1 125 125 GLU N N 15 129.354 0.25 . 1 . . . . . 127 E N . 50444 1 stop_ save_