################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11406 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 1H-15N NOESY' 1 $sample_1 isotropic 11406 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11406 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 $AMBER . . 11406 1 2 $xwinnmr . . 11406 1 3 $NMRPipe . . 11406 1 4 $NMRView . . 11406 1 5 $Kujira . . 11406 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 7 7 GLY H H 1 8.386 0.030 . 1 . . . . 7 GLY H . 11406 1 2 . 1 1 7 7 GLY N N 15 110.609 0.300 . 1 . . . . 7 GLY N . 11406 1 3 . 1 1 8 8 LEU H H 1 8.087 0.030 . 1 . . . . 8 LEU H . 11406 1 4 . 1 1 8 8 LEU N N 15 121.510 0.300 . 1 . . . . 8 LEU N . 11406 1 5 . 1 1 9 9 THR H H 1 8.133 0.030 . 1 . . . . 9 THR H . 11406 1 6 . 1 1 9 9 THR N N 15 114.816 0.300 . 1 . . . . 9 THR N . 11406 1 7 . 1 1 10 10 GLN H H 1 8.399 0.030 . 1 . . . . 10 GLN H . 11406 1 8 . 1 1 10 10 GLN N N 15 122.558 0.300 . 1 . . . . 10 GLN N . 11406 1 9 . 1 1 11 11 GLN H H 1 8.368 0.030 . 1 . . . . 11 GLN H . 11406 1 10 . 1 1 11 11 GLN N N 15 121.529 0.300 . 1 . . . . 11 GLN N . 11406 1 11 . 1 1 12 12 SER H H 1 8.466 0.030 . 1 . . . . 12 SER H . 11406 1 12 . 1 1 12 12 SER N N 15 118.086 0.300 . 1 . . . . 12 SER N . 11406 1 13 . 1 1 13 13 ILE H H 1 8.268 0.030 . 1 . . . . 13 ILE H . 11406 1 14 . 1 1 13 13 ILE N N 15 123.162 0.300 . 1 . . . . 13 ILE N . 11406 1 15 . 1 1 14 14 GLY H H 1 8.465 0.030 . 1 . . . . 14 GLY H . 11406 1 16 . 1 1 14 14 GLY N N 15 112.757 0.300 . 1 . . . . 14 GLY N . 11406 1 17 . 1 1 15 15 ALA H H 1 7.889 0.030 . 1 . . . . 15 ALA H . 11406 1 18 . 1 1 15 15 ALA N N 15 122.381 0.300 . 1 . . . . 15 ALA N . 11406 1 19 . 1 1 16 16 ALA H H 1 8.275 0.030 . 1 . . . . 16 ALA H . 11406 1 20 . 1 1 16 16 ALA N N 15 121.294 0.300 . 1 . . . . 16 ALA N . 11406 1 21 . 1 1 17 17 GLY H H 1 9.031 0.030 . 1 . . . . 17 GLY H . 11406 1 22 . 1 1 17 17 GLY N N 15 111.800 0.300 . 1 . . . . 17 GLY N . 11406 1 23 . 1 1 18 18 SER H H 1 7.577 0.030 . 1 . . . . 18 SER H . 11406 1 24 . 1 1 18 18 SER N N 15 115.290 0.300 . 1 . . . . 18 SER N . 11406 1 25 . 1 1 19 19 GLN H H 1 8.342 0.030 . 1 . . . . 19 GLN H . 11406 1 26 . 1 1 19 19 GLN N N 15 119.904 0.300 . 1 . . . . 19 GLN N . 11406 1 27 . 1 1 20 20 LYS H H 1 8.001 0.030 . 1 . . . . 20 LYS H . 11406 1 28 . 1 1 20 20 LYS N N 15 123.876 0.300 . 1 . . . . 20 LYS N . 11406 1 29 . 1 1 21 21 GLU H H 1 8.383 0.030 . 1 . . . . 21 GLU H . 11406 1 30 . 1 1 21 21 GLU N N 15 124.236 0.300 . 1 . . . . 21 GLU N . 11406 1 31 . 1 1 22 22 GLY H H 1 9.219 0.030 . 1 . . . . 22 GLY H . 11406 1 32 . 1 1 22 22 GLY N N 15 110.699 0.300 . 1 . . . . 22 GLY N . 11406 1 33 . 1 1 24 24 GLU H H 1 8.349 0.030 . 1 . . . . 24 GLU H . 11406 1 34 . 1 1 24 24 GLU N N 15 119.216 0.300 . 1 . . . . 24 GLU N . 11406 1 35 . 1 1 25 25 GLY H H 1 8.518 0.030 . 1 . . . . 25 GLY H . 11406 1 36 . 1 1 25 25 GLY N N 15 113.033 0.300 . 1 . . . . 25 GLY N . 11406 1 37 . 1 1 26 26 ALA H H 1 8.345 0.030 . 1 . . . . 26 ALA H . 11406 1 38 . 1 1 26 26 ALA N N 15 119.980 0.300 . 1 . . . . 26 ALA N . 11406 1 39 . 1 1 27 27 ASN H H 1 7.513 0.030 . 1 . . . . 27 ASN H . 11406 1 40 . 1 1 27 27 ASN N N 15 115.283 0.300 . 1 . . . . 27 ASN N . 11406 1 41 . 1 1 28 28 LEU H H 1 9.336 0.030 . 1 . . . . 28 LEU H . 11406 1 42 . 1 1 28 28 LEU N N 15 123.898 0.300 . 1 . . . . 28 LEU N . 11406 1 43 . 1 1 29 29 PHE H H 1 9.098 0.030 . 1 . . . . 29 PHE H . 11406 1 44 . 1 1 29 29 PHE N N 15 120.037 0.300 . 1 . . . . 29 PHE N . 11406 1 45 . 1 1 30 30 ILE H H 1 8.453 0.030 . 1 . . . . 30 ILE H . 11406 1 46 . 1 1 30 30 ILE N N 15 121.520 0.300 . 1 . . . . 30 ILE N . 11406 1 47 . 1 1 31 31 TYR H H 1 9.405 0.030 . 1 . . . . 31 TYR H . 11406 1 48 . 1 1 31 31 TYR N N 15 123.250 0.300 . 1 . . . . 31 TYR N . 11406 1 49 . 1 1 32 32 HIS H H 1 8.524 0.030 . 1 . . . . 32 HIS H . 11406 1 50 . 1 1 32 32 HIS N N 15 112.363 0.300 . 1 . . . . 32 HIS N . 11406 1 51 . 1 1 33 33 LEU H H 1 7.429 0.030 . 1 . . . . 33 LEU H . 11406 1 52 . 1 1 33 33 LEU N N 15 114.007 0.300 . 1 . . . . 33 LEU N . 11406 1 53 . 1 1 35 35 GLN H H 1 9.119 0.030 . 1 . . . . 35 GLN H . 11406 1 54 . 1 1 35 35 GLN N N 15 126.159 0.300 . 1 . . . . 35 GLN N . 11406 1 55 . 1 1 36 36 GLU H H 1 9.041 0.030 . 1 . . . . 36 GLU H . 11406 1 56 . 1 1 36 36 GLU N N 15 114.307 0.300 . 1 . . . . 36 GLU N . 11406 1 57 . 1 1 37 37 PHE H H 1 7.552 0.030 . 1 . . . . 37 PHE H . 11406 1 58 . 1 1 37 37 PHE N N 15 122.409 0.300 . 1 . . . . 37 PHE N . 11406 1 59 . 1 1 38 38 GLY H H 1 9.534 0.030 . 1 . . . . 38 GLY H . 11406 1 60 . 1 1 38 38 GLY N N 15 114.128 0.300 . 1 . . . . 38 GLY N . 11406 1 61 . 1 1 39 39 ASP H H 1 8.545 0.030 . 1 . . . . 39 ASP H . 11406 1 62 . 1 1 39 39 ASP N N 15 120.178 0.300 . 1 . . . . 39 ASP N . 11406 1 63 . 1 1 40 40 GLN H H 1 8.680 0.030 . 1 . . . . 40 GLN H . 11406 1 64 . 1 1 40 40 GLN N N 15 115.803 0.300 . 1 . . . . 40 GLN N . 11406 1 65 . 1 1 41 41 ASP H H 1 7.054 0.030 . 1 . . . . 41 ASP H . 11406 1 66 . 1 1 41 41 ASP N N 15 118.273 0.300 . 1 . . . . 41 ASP N . 11406 1 67 . 1 1 42 42 LEU H H 1 7.710 0.030 . 1 . . . . 42 LEU H . 11406 1 68 . 1 1 42 42 LEU N N 15 120.473 0.300 . 1 . . . . 42 LEU N . 11406 1 69 . 1 1 43 43 LEU H H 1 8.177 0.030 . 1 . . . . 43 LEU H . 11406 1 70 . 1 1 43 43 LEU N N 15 118.503 0.300 . 1 . . . . 43 LEU N . 11406 1 71 . 1 1 44 44 GLN H H 1 8.036 0.030 . 1 . . . . 44 GLN H . 11406 1 72 . 1 1 44 44 GLN N N 15 115.517 0.300 . 1 . . . . 44 GLN N . 11406 1 73 . 1 1 45 45 MET H H 1 7.546 0.030 . 1 . . . . 45 MET H . 11406 1 74 . 1 1 45 45 MET N N 15 116.120 0.300 . 1 . . . . 45 MET N . 11406 1 75 . 1 1 46 46 PHE H H 1 7.596 0.030 . 1 . . . . 46 PHE H . 11406 1 76 . 1 1 46 46 PHE N N 15 113.196 0.300 . 1 . . . . 46 PHE N . 11406 1 77 . 1 1 47 47 MET H H 1 8.379 0.030 . 1 . . . . 47 MET H . 11406 1 78 . 1 1 47 47 MET N N 15 127.647 0.300 . 1 . . . . 47 MET N . 11406 1 79 . 1 1 49 49 PHE H H 1 6.576 0.030 . 1 . . . . 49 PHE H . 11406 1 80 . 1 1 49 49 PHE N N 15 110.108 0.300 . 1 . . . . 49 PHE N . 11406 1 81 . 1 1 50 50 GLY H H 1 7.653 0.030 . 1 . . . . 50 GLY H . 11406 1 82 . 1 1 50 50 GLY N N 15 105.887 0.300 . 1 . . . . 50 GLY N . 11406 1 83 . 1 1 51 51 ASN H H 1 8.996 0.030 . 1 . . . . 51 ASN H . 11406 1 84 . 1 1 51 51 ASN N N 15 117.374 0.300 . 1 . . . . 51 ASN N . 11406 1 85 . 1 1 52 52 VAL H H 1 8.360 0.030 . 1 . . . . 52 VAL H . 11406 1 86 . 1 1 52 52 VAL N N 15 128.194 0.300 . 1 . . . . 52 VAL N . 11406 1 87 . 1 1 53 53 VAL H H 1 8.978 0.030 . 1 . . . . 53 VAL H . 11406 1 88 . 1 1 53 53 VAL N N 15 129.489 0.300 . 1 . . . . 53 VAL N . 11406 1 89 . 1 1 54 54 SER H H 1 7.244 0.030 . 1 . . . . 54 SER H . 11406 1 90 . 1 1 54 54 SER N N 15 113.160 0.300 . 1 . . . . 54 SER N . 11406 1 91 . 1 1 55 55 ALA H H 1 7.791 0.030 . 1 . . . . 55 ALA H . 11406 1 92 . 1 1 55 55 ALA N N 15 123.532 0.300 . 1 . . . . 55 ALA N . 11406 1 93 . 1 1 56 56 LYS H H 1 8.921 0.030 . 1 . . . . 56 LYS H . 11406 1 94 . 1 1 56 56 LYS N N 15 124.009 0.300 . 1 . . . . 56 LYS N . 11406 1 95 . 1 1 57 57 VAL H H 1 8.827 0.030 . 1 . . . . 57 VAL H . 11406 1 96 . 1 1 57 57 VAL N N 15 126.298 0.300 . 1 . . . . 57 VAL N . 11406 1 97 . 1 1 58 58 PHE H H 1 8.267 0.030 . 1 . . . . 58 PHE H . 11406 1 98 . 1 1 58 58 PHE N N 15 127.376 0.300 . 1 . . . . 58 PHE N . 11406 1 99 . 1 1 59 59 ILE H H 1 8.312 0.030 . 1 . . . . 59 ILE H . 11406 1 100 . 1 1 59 59 ILE N N 15 121.227 0.300 . 1 . . . . 59 ILE N . 11406 1 101 . 1 1 60 60 ASP H H 1 8.658 0.030 . 1 . . . . 60 ASP H . 11406 1 102 . 1 1 60 60 ASP N N 15 126.243 0.300 . 1 . . . . 60 ASP N . 11406 1 103 . 1 1 61 61 LYS H H 1 8.872 0.030 . 1 . . . . 61 LYS H . 11406 1 104 . 1 1 61 61 LYS N N 15 127.551 0.300 . 1 . . . . 61 LYS N . 11406 1 105 . 1 1 62 62 GLN H H 1 8.690 0.030 . 1 . . . . 62 GLN H . 11406 1 106 . 1 1 62 62 GLN N N 15 116.946 0.300 . 1 . . . . 62 GLN N . 11406 1 107 . 1 1 63 63 THR H H 1 7.778 0.030 . 1 . . . . 63 THR H . 11406 1 108 . 1 1 63 63 THR N N 15 106.945 0.300 . 1 . . . . 63 THR N . 11406 1 109 . 1 1 64 64 ASN H H 1 8.482 0.030 . 1 . . . . 64 ASN H . 11406 1 110 . 1 1 64 64 ASN N N 15 116.898 0.300 . 1 . . . . 64 ASN N . 11406 1 111 . 1 1 65 65 LEU H H 1 7.597 0.030 . 1 . . . . 65 LEU H . 11406 1 112 . 1 1 65 65 LEU N N 15 117.751 0.300 . 1 . . . . 65 LEU N . 11406 1 113 . 1 1 66 66 SER H H 1 8.705 0.030 . 1 . . . . 66 SER H . 11406 1 114 . 1 1 66 66 SER N N 15 115.018 0.300 . 1 . . . . 66 SER N . 11406 1 115 . 1 1 67 67 LYS H H 1 9.090 0.030 . 1 . . . . 67 LYS H . 11406 1 116 . 1 1 67 67 LYS N N 15 125.255 0.300 . 1 . . . . 67 LYS N . 11406 1 117 . 1 1 68 68 CYS H H 1 10.076 0.030 . 1 . . . . 68 CYS H . 11406 1 118 . 1 1 68 68 CYS N N 15 111.727 0.300 . 1 . . . . 68 CYS N . 11406 1 119 . 1 1 69 69 PHE H H 1 7.624 0.030 . 1 . . . . 69 PHE H . 11406 1 120 . 1 1 69 69 PHE N N 15 114.908 0.300 . 1 . . . . 69 PHE N . 11406 1 121 . 1 1 70 70 GLY H H 1 9.064 0.030 . 1 . . . . 70 GLY H . 11406 1 122 . 1 1 70 70 GLY N N 15 107.262 0.300 . 1 . . . . 70 GLY N . 11406 1 123 . 1 1 71 71 PHE H H 1 8.789 0.030 . 1 . . . . 71 PHE H . 11406 1 124 . 1 1 71 71 PHE N N 15 119.493 0.300 . 1 . . . . 71 PHE N . 11406 1 125 . 1 1 72 72 VAL H H 1 7.788 0.030 . 1 . . . . 72 VAL H . 11406 1 126 . 1 1 72 72 VAL N N 15 123.865 0.300 . 1 . . . . 72 VAL N . 11406 1 127 . 1 1 73 73 SER H H 1 8.461 0.030 . 1 . . . . 73 SER H . 11406 1 128 . 1 1 73 73 SER N N 15 118.983 0.300 . 1 . . . . 73 SER N . 11406 1 129 . 1 1 74 74 TYR H H 1 8.333 0.030 . 1 . . . . 74 TYR H . 11406 1 130 . 1 1 74 74 TYR N N 15 119.866 0.300 . 1 . . . . 74 TYR N . 11406 1 131 . 1 1 75 75 ASP H H 1 7.809 0.030 . 1 . . . . 75 ASP H . 11406 1 132 . 1 1 75 75 ASP N N 15 113.291 0.300 . 1 . . . . 75 ASP N . 11406 1 133 . 1 1 76 76 ASN H H 1 7.220 0.030 . 1 . . . . 76 ASN H . 11406 1 134 . 1 1 76 76 ASN N N 15 113.995 0.300 . 1 . . . . 76 ASN N . 11406 1 135 . 1 1 78 78 VAL H H 1 8.057 0.030 . 1 . . . . 78 VAL H . 11406 1 136 . 1 1 78 78 VAL N N 15 121.098 0.300 . 1 . . . . 78 VAL N . 11406 1 137 . 1 1 79 79 SER H H 1 7.870 0.030 . 1 . . . . 79 SER H . 11406 1 138 . 1 1 79 79 SER N N 15 118.003 0.300 . 1 . . . . 79 SER N . 11406 1 139 . 1 1 80 80 ALA H H 1 6.357 0.030 . 1 . . . . 80 ALA H . 11406 1 140 . 1 1 80 80 ALA N N 15 120.140 0.300 . 1 . . . . 80 ALA N . 11406 1 141 . 1 1 81 81 GLN H H 1 7.712 0.030 . 1 . . . . 81 GLN H . 11406 1 142 . 1 1 81 81 GLN N N 15 115.836 0.300 . 1 . . . . 81 GLN N . 11406 1 143 . 1 1 82 82 ALA H H 1 7.801 0.030 . 1 . . . . 82 ALA H . 11406 1 144 . 1 1 82 82 ALA N N 15 123.077 0.300 . 1 . . . . 82 ALA N . 11406 1 145 . 1 1 83 83 ALA H H 1 7.854 0.030 . 1 . . . . 83 ALA H . 11406 1 146 . 1 1 83 83 ALA N N 15 121.718 0.300 . 1 . . . . 83 ALA N . 11406 1 147 . 1 1 84 84 ILE H H 1 8.038 0.030 . 1 . . . . 84 ILE H . 11406 1 148 . 1 1 84 84 ILE N N 15 118.714 0.300 . 1 . . . . 84 ILE N . 11406 1 149 . 1 1 85 85 GLN H H 1 7.808 0.030 . 1 . . . . 85 GLN H . 11406 1 150 . 1 1 85 85 GLN N N 15 116.542 0.300 . 1 . . . . 85 GLN N . 11406 1 151 . 1 1 86 86 SER H H 1 7.509 0.030 . 1 . . . . 86 SER H . 11406 1 152 . 1 1 86 86 SER N N 15 110.676 0.300 . 1 . . . . 86 SER N . 11406 1 153 . 1 1 87 87 MET H H 1 8.311 0.030 . 1 . . . . 87 MET H . 11406 1 154 . 1 1 87 87 MET N N 15 114.373 0.300 . 1 . . . . 87 MET N . 11406 1 155 . 1 1 88 88 ASN H H 1 8.315 0.030 . 1 . . . . 88 ASN H . 11406 1 156 . 1 1 88 88 ASN N N 15 118.751 0.300 . 1 . . . . 88 ASN N . 11406 1 157 . 1 1 89 89 GLY H H 1 8.976 0.030 . 1 . . . . 89 GLY H . 11406 1 158 . 1 1 89 89 GLY N N 15 118.167 0.300 . 1 . . . . 89 GLY N . 11406 1 159 . 1 1 90 90 PHE H H 1 7.908 0.030 . 1 . . . . 90 PHE H . 11406 1 160 . 1 1 90 90 PHE N N 15 123.243 0.300 . 1 . . . . 90 PHE N . 11406 1 161 . 1 1 91 91 GLN H H 1 7.989 0.030 . 1 . . . . 91 GLN H . 11406 1 162 . 1 1 91 91 GLN N N 15 128.526 0.300 . 1 . . . . 91 GLN N . 11406 1 163 . 1 1 92 92 ILE H H 1 8.510 0.030 . 1 . . . . 92 ILE H . 11406 1 164 . 1 1 92 92 ILE N N 15 126.302 0.300 . 1 . . . . 92 ILE N . 11406 1 165 . 1 1 93 93 GLY H H 1 8.942 0.030 . 1 . . . . 93 GLY H . 11406 1 166 . 1 1 93 93 GLY N N 15 117.837 0.300 . 1 . . . . 93 GLY N . 11406 1 167 . 1 1 94 94 MET H H 1 8.934 0.030 . 1 . . . . 94 MET H . 11406 1 168 . 1 1 94 94 MET N N 15 123.355 0.300 . 1 . . . . 94 MET N . 11406 1 169 . 1 1 95 95 LYS H H 1 7.870 0.030 . 1 . . . . 95 LYS H . 11406 1 170 . 1 1 95 95 LYS N N 15 119.681 0.300 . 1 . . . . 95 LYS N . 11406 1 171 . 1 1 96 96 ARG H H 1 8.229 0.030 . 1 . . . . 96 ARG H . 11406 1 172 . 1 1 96 96 ARG N N 15 119.640 0.300 . 1 . . . . 96 ARG N . 11406 1 173 . 1 1 97 97 LEU H H 1 9.111 0.030 . 1 . . . . 97 LEU H . 11406 1 174 . 1 1 97 97 LEU N N 15 123.281 0.300 . 1 . . . . 97 LEU N . 11406 1 175 . 1 1 98 98 LYS H H 1 8.029 0.030 . 1 . . . . 98 LYS H . 11406 1 176 . 1 1 98 98 LYS N N 15 122.595 0.300 . 1 . . . . 98 LYS N . 11406 1 177 . 1 1 99 99 VAL H H 1 8.681 0.030 . 1 . . . . 99 VAL H . 11406 1 178 . 1 1 99 99 VAL N N 15 125.827 0.300 . 1 . . . . 99 VAL N . 11406 1 179 . 1 1 100 100 GLN H H 1 9.001 0.030 . 1 . . . . 100 GLN H . 11406 1 180 . 1 1 100 100 GLN N N 15 123.184 0.300 . 1 . . . . 100 GLN N . 11406 1 181 . 1 1 101 101 LEU H H 1 8.757 0.030 . 1 . . . . 101 LEU H . 11406 1 182 . 1 1 101 101 LEU N N 15 122.070 0.300 . 1 . . . . 101 LEU N . 11406 1 183 . 1 1 102 102 LYS H H 1 8.437 0.030 . 1 . . . . 102 LYS H . 11406 1 184 . 1 1 102 102 LYS N N 15 123.889 0.300 . 1 . . . . 102 LYS N . 11406 1 185 . 1 1 103 103 ARG H H 1 8.550 0.030 . 1 . . . . 103 ARG H . 11406 1 186 . 1 1 103 103 ARG N N 15 126.105 0.300 . 1 . . . . 103 ARG N . 11406 1 187 . 1 1 104 104 SER H H 1 8.631 0.030 . 1 . . . . 104 SER H . 11406 1 188 . 1 1 104 104 SER N N 15 119.592 0.300 . 1 . . . . 104 SER N . 11406 1 189 . 1 1 105 105 LYS H H 1 9.049 0.030 . 1 . . . . 105 LYS H . 11406 1 190 . 1 1 105 105 LYS N N 15 125.205 0.300 . 1 . . . . 105 LYS N . 11406 1 191 . 1 1 107 107 ASP H H 1 8.183 0.030 . 1 . . . . 107 ASP H . 11406 1 192 . 1 1 107 107 ASP N N 15 121.129 0.300 . 1 . . . . 107 ASP N . 11406 1 193 . 1 1 108 108 SER H H 1 8.245 0.030 . 1 . . . . 108 SER H . 11406 1 194 . 1 1 108 108 SER N N 15 116.299 0.300 . 1 . . . . 108 SER N . 11406 1 195 . 1 1 109 109 LYS H H 1 8.334 0.030 . 1 . . . . 109 LYS H . 11406 1 196 . 1 1 109 109 LYS N N 15 122.883 0.300 . 1 . . . . 109 LYS N . 11406 1 197 . 1 1 110 110 SER H H 1 8.222 0.030 . 1 . . . . 110 SER H . 11406 1 198 . 1 1 110 110 SER N N 15 116.400 0.300 . 1 . . . . 110 SER N . 11406 1 199 . 1 1 111 111 GLY H H 1 8.188 0.030 . 1 . . . . 111 GLY H . 11406 1 200 . 1 1 111 111 GLY N N 15 110.657 0.300 . 1 . . . . 111 GLY N . 11406 1 stop_ save_