################################### # 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 18362 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 18362 1 2 '3D CBCA(CO)NH' . . . 18362 1 3 '3D HNCO' . . . 18362 1 4 '3D HNCACB' . . . 18362 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 14 14 PRO C C 13 177.313 0.20 . 1 . . . . . 14 PRO CO . 18362 1 2 . 1 1 15 15 ARG H H 1 9.324 0.02 . 1 . . . . . 15 ARG H . 18362 1 3 . 1 1 15 15 ARG C C 13 174.855 0.20 . 1 . . . . . 15 ARG CO . 18362 1 4 . 1 1 15 15 ARG CA C 13 55.670 0.20 . 1 . . . . . 15 ARG CA . 18362 1 5 . 1 1 15 15 ARG CB C 13 32.517 0.20 . 1 . . . . . 15 ARG CB . 18362 1 6 . 1 1 15 15 ARG N N 15 123.649 0.20 . 1 . . . . . 15 ARG N . 18362 1 7 . 1 1 16 16 ASN H H 1 8.267 0.02 . 1 . . . . . 16 ASN H . 18362 1 8 . 1 1 16 16 ASN C C 13 174.100 0.20 . 1 . . . . . 16 ASN CO . 18362 1 9 . 1 1 16 16 ASN CA C 13 54.260 0.20 . 1 . . . . . 16 ASN CA . 18362 1 10 . 1 1 16 16 ASN CB C 13 37.134 0.20 . 1 . . . . . 16 ASN CB . 18362 1 11 . 1 1 16 16 ASN N N 15 109.276 0.20 . 1 . . . . . 16 ASN N . 18362 1 12 . 1 1 17 17 VAL H H 1 7.739 0.02 . 1 . . . . . 17 VAL H . 18362 1 13 . 1 1 17 17 VAL C C 13 177.837 0.20 . 1 . . . . . 17 VAL CO . 18362 1 14 . 1 1 17 17 VAL CA C 13 62.463 0.20 . 1 . . . . . 17 VAL CA . 18362 1 15 . 1 1 17 17 VAL CB C 13 31.568 0.20 . 1 . . . . . 17 VAL CB . 18362 1 16 . 1 1 17 17 VAL N N 15 118.466 0.20 . 1 . . . . . 17 VAL N . 18362 1 17 . 1 1 18 18 GLY H H 1 8.559 0.02 . 1 . . . . . 18 GLY H . 18362 1 18 . 1 1 18 18 GLY C C 13 170.306 0.20 . 1 . . . . . 18 GLY CO . 18362 1 19 . 1 1 18 18 GLY CA C 13 44.639 0.20 . 1 . . . . . 18 GLY CA . 18362 1 20 . 1 1 18 18 GLY N N 15 115.038 0.20 . 1 . . . . . 18 GLY N . 18362 1 21 . 1 1 19 19 SER H H 1 8.035 0.02 . 1 . . . . . 19 SER H . 18362 1 22 . 1 1 19 19 SER C C 13 173.020 0.20 . 1 . . . . . 19 SER CO . 18362 1 23 . 1 1 19 19 SER CA C 13 56.918 0.20 . 1 . . . . . 19 SER CA . 18362 1 24 . 1 1 19 19 SER CB C 13 65.963 0.20 . 1 . . . . . 19 SER CB . 18362 1 25 . 1 1 19 19 SER N N 15 112.130 0.20 . 1 . . . . . 19 SER N . 18362 1 26 . 1 1 20 20 PHE H H 1 8.843 0.02 . 1 . . . . . 20 PHE H . 18362 1 27 . 1 1 20 20 PHE CA C 13 55.449 0.20 . 1 . . . . . 20 PHE CA . 18362 1 28 . 1 1 20 20 PHE CB C 13 41.942 0.20 . 1 . . . . . 20 PHE CB . 18362 1 29 . 1 1 20 20 PHE N N 15 120.527 0.20 . 1 . . . . . 20 PHE N . 18362 1 30 . 1 1 23 23 ASN HD21 H 1 6.920 0.02 . 2 . . . . . 23 ASN HD21 . 18362 1 31 . 1 1 23 23 ASN HD22 H 1 7.805 0.02 . 2 . . . . . 23 ASN HD22 . 18362 1 32 . 1 1 23 23 ASN C C 13 175.357 0.20 . 1 . . . . . 23 ASN CO . 18362 1 33 . 1 1 23 23 ASN CA C 13 53.283 0.20 . 1 . . . . . 23 ASN CA . 18362 1 34 . 1 1 23 23 ASN CB C 13 38.284 0.20 . 1 . . . . . 23 ASN CB . 18362 1 35 . 1 1 23 23 ASN CG C 13 177.495 0.20 . 1 . . . . . 23 ASN CG . 18362 1 36 . 1 1 23 23 ASN ND2 N 15 113.495 0.20 . 1 . . . . . 23 ASN ND2 . 18362 1 37 . 1 1 24 24 ASP H H 1 7.522 0.02 . 1 . . . . . 24 ASP H . 18362 1 38 . 1 1 24 24 ASP C C 13 177.710 0.20 . 1 . . . . . 24 ASP CO . 18362 1 39 . 1 1 24 24 ASP CA C 13 54.728 0.20 . 1 . . . . . 24 ASP CA . 18362 1 40 . 1 1 24 24 ASP CB C 13 41.537 0.20 . 1 . . . . . 24 ASP CB . 18362 1 41 . 1 1 24 24 ASP N N 15 122.357 0.20 . 1 . . . . . 24 ASP N . 18362 1 42 . 1 1 25 25 GLU H H 1 9.039 0.02 . 1 . . . . . 25 GLU H . 18362 1 43 . 1 1 25 25 GLU C C 13 175.772 0.20 . 1 . . . . . 25 GLU CO . 18362 1 44 . 1 1 25 25 GLU CA C 13 58.320 0.20 . 1 . . . . . 25 GLU CA . 18362 1 45 . 1 1 25 25 GLU CB C 13 29.510 0.20 . 1 . . . . . 25 GLU CB . 18362 1 46 . 1 1 25 25 GLU N N 15 125.191 0.20 . 1 . . . . . 25 GLU N . 18362 1 47 . 1 1 26 26 ASN H H 1 8.756 0.02 . 1 . . . . . 26 ASN H . 18362 1 48 . 1 1 26 26 ASN C C 13 173.011 0.20 . 1 . . . . . 26 ASN CO . 18362 1 49 . 1 1 26 26 ASN CA C 13 53.041 0.20 . 1 . . . . . 26 ASN CA . 18362 1 50 . 1 1 26 26 ASN CB C 13 38.303 0.20 . 1 . . . . . 26 ASN CB . 18362 1 51 . 1 1 26 26 ASN N N 15 115.930 0.20 . 1 . . . . . 26 ASN N . 18362 1 52 . 1 1 27 27 VAL H H 1 7.375 0.02 . 1 . . . . . 27 VAL H . 18362 1 53 . 1 1 27 27 VAL C C 13 176.970 0.20 . 1 . . . . . 27 VAL CO . 18362 1 54 . 1 1 27 27 VAL CA C 13 59.996 0.20 . 1 . . . . . 27 VAL CA . 18362 1 55 . 1 1 27 27 VAL CB C 13 35.174 0.20 . 1 . . . . . 27 VAL CB . 18362 1 56 . 1 1 27 27 VAL N N 15 118.993 0.20 . 1 . . . . . 27 VAL N . 18362 1 57 . 1 1 28 28 GLY H H 1 8.829 0.02 . 1 . . . . . 28 GLY H . 18362 1 58 . 1 1 28 28 GLY C C 13 173.109 0.20 . 1 . . . . . 28 GLY CO . 18362 1 59 . 1 1 28 28 GLY CA C 13 44.308 0.20 . 1 . . . . . 28 GLY CA . 18362 1 60 . 1 1 28 28 GLY N N 15 112.440 0.20 . 1 . . . . . 28 GLY N . 18362 1 61 . 1 1 29 29 SER H H 1 10.463 0.02 . 1 . . . . . 29 SER H . 18362 1 62 . 1 1 29 29 SER C C 13 172.430 0.20 . 1 . . . . . 29 SER CO . 18362 1 63 . 1 1 29 29 SER CA C 13 57.648 0.20 . 1 . . . . . 29 SER CA . 18362 1 64 . 1 1 29 29 SER CB C 13 64.752 0.20 . 1 . . . . . 29 SER CB . 18362 1 65 . 1 1 29 29 SER N N 15 121.077 0.20 . 1 . . . . . 29 SER N . 18362 1 66 . 1 1 30 30 GLY H H 1 9.535 0.02 . 1 . . . . . 30 GLY H . 18362 1 67 . 1 1 30 30 GLY C C 13 171.178 0.20 . 1 . . . . . 30 GLY CO . 18362 1 68 . 1 1 30 30 GLY CA C 13 44.640 0.20 . 1 . . . . . 30 GLY CA . 18362 1 69 . 1 1 30 30 GLY N N 15 112.925 0.20 . 1 . . . . . 30 GLY N . 18362 1 70 . 1 1 31 31 MET H H 1 8.687 0.02 . 1 . . . . . 31 MET H . 18362 1 71 . 1 1 31 31 MET C C 13 174.696 0.20 . 1 . . . . . 31 MET CO . 18362 1 72 . 1 1 31 31 MET CA C 13 55.122 0.20 . 1 . . . . . 31 MET CA . 18362 1 73 . 1 1 31 31 MET CB C 13 34.828 0.20 . 1 . . . . . 31 MET CB . 18362 1 74 . 1 1 31 31 MET N N 15 125.483 0.20 . 1 . . . . . 31 MET N . 18362 1 75 . 1 1 32 32 VAL H H 1 8.897 0.02 . 1 . . . . . 32 VAL H . 18362 1 76 . 1 1 32 32 VAL C C 13 173.962 0.20 . 1 . . . . . 32 VAL CO . 18362 1 77 . 1 1 32 32 VAL CA C 13 59.496 0.20 . 1 . . . . . 32 VAL CA . 18362 1 78 . 1 1 32 32 VAL CB C 13 35.842 0.20 . 1 . . . . . 32 VAL CB . 18362 1 79 . 1 1 32 32 VAL N N 15 120.122 0.20 . 1 . . . . . 32 VAL N . 18362 1 80 . 1 1 33 33 GLY H H 1 8.395 0.02 . 1 . . . . . 33 GLY H . 18362 1 81 . 1 1 33 33 GLY C C 13 172.493 0.20 . 1 . . . . . 33 GLY CO . 18362 1 82 . 1 1 33 33 GLY CA C 13 44.575 0.20 . 1 . . . . . 33 GLY CA . 18362 1 83 . 1 1 33 33 GLY N N 15 108.569 0.20 . 1 . . . . . 33 GLY N . 18362 1 84 . 1 1 34 34 ALA H H 1 8.384 0.02 . 1 . . . . . 34 ALA H . 18362 1 85 . 1 1 34 34 ALA CA C 13 49.367 0.20 . 1 . . . . . 34 ALA CA . 18362 1 86 . 1 1 34 34 ALA CB C 13 20.045 0.20 . 1 . . . . . 34 ALA CB . 18362 1 87 . 1 1 34 34 ALA N N 15 123.859 0.20 . 1 . . . . . 34 ALA N . 18362 1 88 . 1 1 42 42 LYS C C 13 174.355 0.20 . 1 . . . . . 42 LYS CO . 18362 1 89 . 1 1 42 42 LYS CA C 13 54.934 0.20 . 1 . . . . . 42 LYS CA . 18362 1 90 . 1 1 42 42 LYS CB C 13 34.446 0.20 . 1 . . . . . 42 LYS CB . 18362 1 91 . 1 1 43 43 LEU H H 1 8.972 0.02 . 1 . . . . . 43 LEU H . 18362 1 92 . 1 1 43 43 LEU C C 13 175.349 0.20 . 1 . . . . . 43 LEU CO . 18362 1 93 . 1 1 43 43 LEU CA C 13 53.684 0.20 . 1 . . . . . 43 LEU CA . 18362 1 94 . 1 1 43 43 LEU CB C 13 46.486 0.20 . 1 . . . . . 43 LEU CB . 18362 1 95 . 1 1 43 43 LEU N N 15 126.652 0.20 . 1 . . . . . 43 LEU N . 18362 1 96 . 1 1 44 44 GLN H H 1 9.392 0.02 . 1 . . . . . 44 GLN H . 18362 1 97 . 1 1 44 44 GLN C C 13 175.210 0.20 . 1 . . . . . 44 GLN CO . 18362 1 98 . 1 1 44 44 GLN CA C 13 53.658 0.20 . 1 . . . . . 44 GLN CA . 18362 1 99 . 1 1 44 44 GLN CB C 13 36.106 0.20 . 1 . . . . . 44 GLN CB . 18362 1 100 . 1 1 44 44 GLN N N 15 120.848 0.20 . 1 . . . . . 44 GLN N . 18362 1 101 . 1 1 45 45 ILE H H 1 9.240 0.02 . 1 . . . . . 45 ILE H . 18362 1 102 . 1 1 45 45 ILE C C 13 172.454 0.20 . 1 . . . . . 45 ILE CO . 18362 1 103 . 1 1 45 45 ILE CA C 13 58.939 0.20 . 1 . . . . . 45 ILE CA . 18362 1 104 . 1 1 45 45 ILE CB C 13 41.241 0.20 . 1 . . . . . 45 ILE CB . 18362 1 105 . 1 1 45 45 ILE N N 15 112.998 0.20 . 1 . . . . . 45 ILE N . 18362 1 106 . 1 1 46 46 LYS H H 1 8.307 0.02 . 1 . . . . . 46 LYS H . 18362 1 107 . 1 1 46 46 LYS C C 13 174.631 0.20 . 1 . . . . . 46 LYS CO . 18362 1 108 . 1 1 46 46 LYS CA C 13 54.850 0.20 . 1 . . . . . 46 LYS CA . 18362 1 109 . 1 1 46 46 LYS CB C 13 35.089 0.20 . 1 . . . . . 46 LYS CB . 18362 1 110 . 1 1 46 46 LYS N N 15 123.762 0.20 . 1 . . . . . 46 LYS N . 18362 1 111 . 1 1 47 47 VAL H H 1 8.555 0.02 . 1 . . . . . 47 VAL H . 18362 1 112 . 1 1 47 47 VAL C C 13 176.534 0.20 . 1 . . . . . 47 VAL CO . 18362 1 113 . 1 1 47 47 VAL CA C 13 60.978 0.20 . 1 . . . . . 47 VAL CA . 18362 1 114 . 1 1 47 47 VAL CB C 13 33.943 0.20 . 1 . . . . . 47 VAL CB . 18362 1 115 . 1 1 47 47 VAL N N 15 128.554 0.20 . 1 . . . . . 47 VAL N . 18362 1 116 . 1 1 48 48 ASN H H 1 8.933 0.02 . 1 . . . . . 48 ASN H . 18362 1 117 . 1 1 48 48 ASN C C 13 177.130 0.20 . 1 . . . . . 48 ASN CO . 18362 1 118 . 1 1 48 48 ASN CA C 13 51.314 0.20 . 1 . . . . . 48 ASN CA . 18362 1 119 . 1 1 48 48 ASN CB C 13 38.798 0.20 . 1 . . . . . 48 ASN CB . 18362 1 120 . 1 1 48 48 ASN N N 15 126.352 0.20 . 1 . . . . . 48 ASN N . 18362 1 121 . 1 1 49 49 ASP H H 1 8.416 0.02 . 1 . . . . . 49 ASP H . 18362 1 122 . 1 1 49 49 ASP C C 13 177.178 0.20 . 1 . . . . . 49 ASP CO . 18362 1 123 . 1 1 49 49 ASP CA C 13 56.658 0.20 . 1 . . . . . 49 ASP CA . 18362 1 124 . 1 1 49 49 ASP CB C 13 40.408 0.20 . 1 . . . . . 49 ASP CB . 18362 1 125 . 1 1 49 49 ASP N N 15 116.918 0.20 . 1 . . . . . 49 ASP N . 18362 1 126 . 1 1 50 50 GLU H H 1 7.828 0.02 . 1 . . . . . 50 GLU H . 18362 1 127 . 1 1 50 50 GLU C C 13 176.586 0.20 . 1 . . . . . 50 GLU CO . 18362 1 128 . 1 1 50 50 GLU CA C 13 56.008 0.20 . 1 . . . . . 50 GLU CA . 18362 1 129 . 1 1 50 50 GLU CB C 13 29.980 0.20 . 1 . . . . . 50 GLU CB . 18362 1 130 . 1 1 50 50 GLU N N 15 117.836 0.20 . 1 . . . . . 50 GLU N . 18362 1 131 . 1 1 51 51 GLY H H 1 8.071 0.02 . 1 . . . . . 51 GLY H . 18362 1 132 . 1 1 51 51 GLY C C 13 172.644 0.20 . 1 . . . . . 51 GLY CO . 18362 1 133 . 1 1 51 51 GLY CA C 13 45.736 0.20 . 1 . . . . . 51 GLY CA . 18362 1 134 . 1 1 51 51 GLY N N 15 107.801 0.20 . 1 . . . . . 51 GLY N . 18362 1 135 . 1 1 52 52 ILE H H 1 7.535 0.02 . 1 . . . . . 52 ILE H . 18362 1 136 . 1 1 52 52 ILE C C 13 175.400 0.20 . 1 . . . . . 52 ILE CO . 18362 1 137 . 1 1 52 52 ILE CA C 13 57.766 0.20 . 1 . . . . . 52 ILE CA . 18362 1 138 . 1 1 52 52 ILE CB C 13 37.729 0.20 . 1 . . . . . 52 ILE CB . 18362 1 139 . 1 1 52 52 ILE N N 15 119.960 0.20 . 1 . . . . . 52 ILE N . 18362 1 140 . 1 1 53 53 ILE H H 1 8.726 0.02 . 1 . . . . . 53 ILE H . 18362 1 141 . 1 1 53 53 ILE C C 13 174.628 0.20 . 1 . . . . . 53 ILE CO . 18362 1 142 . 1 1 53 53 ILE CA C 13 62.546 0.20 . 1 . . . . . 53 ILE CA . 18362 1 143 . 1 1 53 53 ILE CB C 13 36.462 0.20 . 1 . . . . . 53 ILE CB . 18362 1 144 . 1 1 53 53 ILE N N 15 127.132 0.20 . 1 . . . . . 53 ILE N . 18362 1 145 . 1 1 54 54 GLU H H 1 8.944 0.02 . 1 . . . . . 54 GLU H . 18362 1 146 . 1 1 54 54 GLU C C 13 176.039 0.20 . 1 . . . . . 54 GLU CO . 18362 1 147 . 1 1 54 54 GLU CA C 13 56.294 0.20 . 1 . . . . . 54 GLU CA . 18362 1 148 . 1 1 54 54 GLU CB C 13 32.027 0.20 . 1 . . . . . 54 GLU CB . 18362 1 149 . 1 1 54 54 GLU N N 15 130.228 0.20 . 1 . . . . . 54 GLU N . 18362 1 150 . 1 1 55 55 ASP H H 1 8.041 0.02 . 1 . . . . . 55 ASP H . 18362 1 151 . 1 1 55 55 ASP C C 13 172.423 0.20 . 1 . . . . . 55 ASP CO . 18362 1 152 . 1 1 55 55 ASP CA C 13 52.779 0.20 . 1 . . . . . 55 ASP CA . 18362 1 153 . 1 1 55 55 ASP CB C 13 44.045 0.20 . 1 . . . . . 55 ASP CB . 18362 1 154 . 1 1 55 55 ASP N N 15 115.983 0.20 . 1 . . . . . 55 ASP N . 18362 1 155 . 1 1 56 56 ALA H H 1 8.975 0.02 . 1 . . . . . 56 ALA H . 18362 1 156 . 1 1 56 56 ALA C C 13 174.862 0.20 . 1 . . . . . 56 ALA CO . 18362 1 157 . 1 1 56 56 ALA CA C 13 52.136 0.20 . 1 . . . . . 56 ALA CA . 18362 1 158 . 1 1 56 56 ALA CB C 13 22.837 0.20 . 1 . . . . . 56 ALA CB . 18362 1 159 . 1 1 56 56 ALA N N 15 123.709 0.20 . 1 . . . . . 56 ALA N . 18362 1 160 . 1 1 57 57 ARG H H 1 8.843 0.02 . 1 . . . . . 57 ARG H . 18362 1 161 . 1 1 57 57 ARG C C 13 174.496 0.20 . 1 . . . . . 57 ARG CO . 18362 1 162 . 1 1 57 57 ARG CA C 13 53.390 0.20 . 1 . . . . . 57 ARG CA . 18362 1 163 . 1 1 57 57 ARG CB C 13 36.863 0.20 . 1 . . . . . 57 ARG CB . 18362 1 164 . 1 1 57 57 ARG N N 15 117.880 0.20 . 1 . . . . . 57 ARG N . 18362 1 165 . 1 1 58 58 PHE H H 1 8.489 0.02 . 1 . . . . . 58 PHE H . 18362 1 166 . 1 1 58 58 PHE C C 13 172.741 0.20 . 1 . . . . . 58 PHE CO . 18362 1 167 . 1 1 58 58 PHE CA C 13 56.225 0.20 . 1 . . . . . 58 PHE CA . 18362 1 168 . 1 1 58 58 PHE CB C 13 43.636 0.20 . 1 . . . . . 58 PHE CB . 18362 1 169 . 1 1 58 58 PHE N N 15 116.946 0.20 . 1 . . . . . 58 PHE N . 18362 1 170 . 1 1 59 59 LYS H H 1 8.744 0.02 . 1 . . . . . 59 LYS H . 18362 1 171 . 1 1 59 59 LYS CB C 13 35.438 0.20 . 1 . . . . . 59 LYS CB . 18362 1 172 . 1 1 59 59 LYS N N 15 119.724 0.20 . 1 . . . . . 59 LYS N . 18362 1 173 . 1 1 71 71 SER C C 13 176.772 0.20 . 1 . . . . . 71 SER CO . 18362 1 174 . 1 1 72 72 LEU H H 1 7.819 0.02 . 1 . . . . . 72 LEU H . 18362 1 175 . 1 1 72 72 LEU C C 13 179.050 0.20 . 1 . . . . . 72 LEU CO . 18362 1 176 . 1 1 72 72 LEU CA C 13 58.122 0.20 . 1 . . . . . 72 LEU CA . 18362 1 177 . 1 1 72 72 LEU CB C 13 42.096 0.20 . 1 . . . . . 72 LEU CB . 18362 1 178 . 1 1 72 72 LEU N N 15 118.019 0.20 . 1 . . . . . 72 LEU N . 18362 1 179 . 1 1 73 73 VAL H H 1 7.646 0.02 . 1 . . . . . 73 VAL H . 18362 1 180 . 1 1 73 73 VAL C C 13 177.399 0.20 . 1 . . . . . 73 VAL CO . 18362 1 181 . 1 1 73 73 VAL CA C 13 67.066 0.20 . 1 . . . . . 73 VAL CA . 18362 1 182 . 1 1 73 73 VAL CB C 13 31.362 0.20 . 1 . . . . . 73 VAL CB . 18362 1 183 . 1 1 73 73 VAL N N 15 113.980 0.20 . 1 . . . . . 73 VAL N . 18362 1 184 . 1 1 74 74 THR H H 1 7.811 0.02 . 1 . . . . . 74 THR H . 18362 1 185 . 1 1 74 74 THR C C 13 175.265 0.20 . 1 . . . . . 74 THR CO . 18362 1 186 . 1 1 74 74 THR CA C 13 65.907 0.20 . 1 . . . . . 74 THR CA . 18362 1 187 . 1 1 74 74 THR CB C 13 68.386 0.20 . 1 . . . . . 74 THR CB . 18362 1 188 . 1 1 74 74 THR N N 15 109.703 0.20 . 1 . . . . . 74 THR N . 18362 1 189 . 1 1 75 75 GLU H H 1 7.272 0.02 . 1 . . . . . 75 GLU H . 18362 1 190 . 1 1 75 75 GLU C C 13 179.689 0.20 . 1 . . . . . 75 GLU CO . 18362 1 191 . 1 1 75 75 GLU CA C 13 58.386 0.20 . 1 . . . . . 75 GLU CA . 18362 1 192 . 1 1 75 75 GLU CB C 13 30.412 0.20 . 1 . . . . . 75 GLU CB . 18362 1 193 . 1 1 75 75 GLU N N 15 117.435 0.20 . 1 . . . . . 75 GLU N . 18362 1 194 . 1 1 76 76 TRP H H 1 8.660 0.02 . 1 . . . . . 76 TRP H . 18362 1 195 . 1 1 76 76 TRP HE1 H 1 10.293 0.02 . 1 . . . . . 76 TRP HE1 . 18362 1 196 . 1 1 76 76 TRP C C 13 178.410 0.20 . 1 . . . . . 76 TRP CO . 18362 1 197 . 1 1 76 76 TRP CA C 13 59.186 0.20 . 1 . . . . . 76 TRP CA . 18362 1 198 . 1 1 76 76 TRP CB C 13 30.169 0.20 . 1 . . . . . 76 TRP CB . 18362 1 199 . 1 1 76 76 TRP N N 15 120.225 0.20 . 1 . . . . . 76 TRP N . 18362 1 200 . 1 1 76 76 TRP NE1 N 15 129.140 0.20 . 1 . . . . . 76 TRP NE1 . 18362 1 201 . 1 1 77 77 VAL H H 1 8.164 0.02 . 1 . . . . . 77 VAL H . 18362 1 202 . 1 1 77 77 VAL C C 13 175.443 0.20 . 1 . . . . . 77 VAL CO . 18362 1 203 . 1 1 77 77 VAL CA C 13 63.822 0.20 . 1 . . . . . 77 VAL CA . 18362 1 204 . 1 1 77 77 VAL CB C 13 31.661 0.20 . 1 . . . . . 77 VAL CB . 18362 1 205 . 1 1 77 77 VAL N N 15 107.965 0.20 . 1 . . . . . 77 VAL N . 18362 1 206 . 1 1 78 78 LYS H H 1 6.696 0.02 . 1 . . . . . 78 LYS H . 18362 1 207 . 1 1 78 78 LYS C C 13 177.764 0.20 . 1 . . . . . 78 LYS CO . 18362 1 208 . 1 1 78 78 LYS CA C 13 59.095 0.20 . 1 . . . . . 78 LYS CA . 18362 1 209 . 1 1 78 78 LYS CB C 13 32.137 0.20 . 1 . . . . . 78 LYS CB . 18362 1 210 . 1 1 78 78 LYS N N 15 117.973 0.20 . 1 . . . . . 78 LYS N . 18362 1 211 . 1 1 79 79 GLY H H 1 9.453 0.02 . 1 . . . . . 79 GLY H . 18362 1 212 . 1 1 79 79 GLY C C 13 174.172 0.20 . 1 . . . . . 79 GLY CO . 18362 1 213 . 1 1 79 79 GLY CA C 13 45.230 0.20 . 1 . . . . . 79 GLY CA . 18362 1 214 . 1 1 79 79 GLY N N 15 112.500 0.20 . 1 . . . . . 79 GLY N . 18362 1 215 . 1 1 80 80 LYS H H 1 7.920 0.02 . 1 . . . . . 80 LYS H . 18362 1 216 . 1 1 80 80 LYS C C 13 176.111 0.20 . 1 . . . . . 80 LYS CO . 18362 1 217 . 1 1 80 80 LYS CA C 13 54.671 0.20 . 1 . . . . . 80 LYS CA . 18362 1 218 . 1 1 80 80 LYS CB C 13 33.826 0.20 . 1 . . . . . 80 LYS CB . 18362 1 219 . 1 1 80 80 LYS N N 15 120.301 0.20 . 1 . . . . . 80 LYS N . 18362 1 220 . 1 1 81 81 SER H H 1 9.006 0.02 . 1 . . . . . 81 SER H . 18362 1 221 . 1 1 81 81 SER C C 13 175.420 0.20 . 1 . . . . . 81 SER CO . 18362 1 222 . 1 1 81 81 SER CA C 13 57.121 0.20 . 1 . . . . . 81 SER CA . 18362 1 223 . 1 1 81 81 SER CB C 13 65.076 0.20 . 1 . . . . . 81 SER CB . 18362 1 224 . 1 1 81 81 SER N N 15 116.239 0.20 . 1 . . . . . 81 SER N . 18362 1 225 . 1 1 82 82 LEU H H 1 8.026 0.02 . 1 . . . . . 82 LEU H . 18362 1 226 . 1 1 82 82 LEU C C 13 178.981 0.20 . 1 . . . . . 82 LEU CO . 18362 1 227 . 1 1 82 82 LEU CA C 13 58.801 0.20 . 1 . . . . . 82 LEU CA . 18362 1 228 . 1 1 82 82 LEU CB C 13 41.073 0.20 . 1 . . . . . 82 LEU CB . 18362 1 229 . 1 1 82 82 LEU N N 15 118.509 0.20 . 1 . . . . . 82 LEU N . 18362 1 230 . 1 1 83 83 ASP H H 1 8.141 0.02 . 1 . . . . . 83 ASP H . 18362 1 231 . 1 1 83 83 ASP C C 13 179.220 0.20 . 1 . . . . . 83 ASP CO . 18362 1 232 . 1 1 83 83 ASP CA C 13 57.357 0.20 . 1 . . . . . 83 ASP CA . 18362 1 233 . 1 1 83 83 ASP CB C 13 40.555 0.20 . 1 . . . . . 83 ASP CB . 18362 1 234 . 1 1 83 83 ASP N N 15 116.044 0.20 . 1 . . . . . 83 ASP N . 18362 1 235 . 1 1 84 84 GLU H H 1 7.803 0.02 . 1 . . . . . 84 GLU H . 18362 1 236 . 1 1 84 84 GLU C C 13 180.028 0.20 . 1 . . . . . 84 GLU CO . 18362 1 237 . 1 1 84 84 GLU CA C 13 58.924 0.20 . 1 . . . . . 84 GLU CA . 18362 1 238 . 1 1 84 84 GLU CB C 13 30.541 0.20 . 1 . . . . . 84 GLU CB . 18362 1 239 . 1 1 84 84 GLU N N 15 120.748 0.20 . 1 . . . . . 84 GLU N . 18362 1 240 . 1 1 85 85 ALA H H 1 8.686 0.02 . 1 . . . . . 85 ALA H . 18362 1 241 . 1 1 85 85 ALA C C 13 178.365 0.20 . 1 . . . . . 85 ALA CO . 18362 1 242 . 1 1 85 85 ALA CA C 13 54.713 0.20 . 1 . . . . . 85 ALA CA . 18362 1 243 . 1 1 85 85 ALA CB C 13 18.619 0.20 . 1 . . . . . 85 ALA CB . 18362 1 244 . 1 1 85 85 ALA N N 15 122.616 0.20 . 1 . . . . . 85 ALA N . 18362 1 245 . 1 1 86 86 GLN H H 1 7.849 0.02 . 1 . . . . . 86 GLN H . 18362 1 246 . 1 1 86 86 GLN HE21 H 1 6.806 0.02 . 2 . . . . . 86 GLN HE21 . 18362 1 247 . 1 1 86 86 GLN HE22 H 1 7.351 0.02 . 2 . . . . . 86 GLN HE22 . 18362 1 248 . 1 1 86 86 GLN C C 13 174.806 0.20 . 1 . . . . . 86 GLN CO . 18362 1 249 . 1 1 86 86 GLN CA C 13 57.495 0.20 . 1 . . . . . 86 GLN CA . 18362 1 250 . 1 1 86 86 GLN CB C 13 28.745 0.20 . 1 . . . . . 86 GLN CB . 18362 1 251 . 1 1 86 86 GLN CG C 13 34.349 0.20 . 1 . . . . . 86 GLN CG . 18362 1 252 . 1 1 86 86 GLN CD C 13 179.928 0.20 . 1 . . . . . 86 GLN CD . 18362 1 253 . 1 1 86 86 GLN N N 15 115.145 0.20 . 1 . . . . . 86 GLN N . 18362 1 254 . 1 1 86 86 GLN NE2 N 15 109.587 0.20 . 1 . . . . . 86 GLN NE2 . 18362 1 255 . 1 1 87 87 ALA H H 1 7.112 0.02 . 1 . . . . . 87 ALA H . 18362 1 256 . 1 1 87 87 ALA C C 13 177.660 0.20 . 1 . . . . . 87 ALA CO . 18362 1 257 . 1 1 87 87 ALA CA C 13 51.798 0.20 . 1 . . . . . 87 ALA CA . 18362 1 258 . 1 1 87 87 ALA CB C 13 18.918 0.20 . 1 . . . . . 87 ALA CB . 18362 1 259 . 1 1 87 87 ALA N N 15 117.999 0.20 . 1 . . . . . 87 ALA N . 18362 1 260 . 1 1 88 88 ILE H H 1 7.126 0.02 . 1 . . . . . 88 ILE H . 18362 1 261 . 1 1 88 88 ILE C C 13 174.394 0.20 . 1 . . . . . 88 ILE CO . 18362 1 262 . 1 1 88 88 ILE CA C 13 62.824 0.20 . 1 . . . . . 88 ILE CA . 18362 1 263 . 1 1 88 88 ILE CB C 13 37.817 0.20 . 1 . . . . . 88 ILE CB . 18362 1 264 . 1 1 88 88 ILE N N 15 120.721 0.20 . 1 . . . . . 88 ILE N . 18362 1 265 . 1 1 89 89 LYS H H 1 8.454 0.02 . 1 . . . . . 89 LYS H . 18362 1 266 . 1 1 89 89 LYS C C 13 179.120 0.20 . 1 . . . . . 89 LYS CO . 18362 1 267 . 1 1 89 89 LYS CA C 13 53.954 0.20 . 1 . . . . . 89 LYS CA . 18362 1 268 . 1 1 89 89 LYS CB C 13 35.713 0.20 . 1 . . . . . 89 LYS CB . 18362 1 269 . 1 1 89 89 LYS N N 15 124.944 0.20 . 1 . . . . . 89 LYS N . 18362 1 270 . 1 1 90 90 ASN H H 1 9.549 0.02 . 1 . . . . . 90 ASN H . 18362 1 271 . 1 1 90 90 ASN C C 13 175.998 0.20 . 1 . . . . . 90 ASN CO . 18362 1 272 . 1 1 90 90 ASN CA C 13 57.083 0.20 . 1 . . . . . 90 ASN CA . 18362 1 273 . 1 1 90 90 ASN CB C 13 38.664 0.20 . 1 . . . . . 90 ASN CB . 18362 1 274 . 1 1 90 90 ASN N N 15 121.056 0.20 . 1 . . . . . 90 ASN N . 18362 1 275 . 1 1 91 91 THR H H 1 7.255 0.02 . 1 . . . . . 91 THR H . 18362 1 276 . 1 1 91 91 THR C C 13 176.724 0.20 . 1 . . . . . 91 THR CO . 18362 1 277 . 1 1 91 91 THR CA C 13 64.596 0.20 . 1 . . . . . 91 THR CA . 18362 1 278 . 1 1 91 91 THR CB C 13 67.448 0.20 . 1 . . . . . 91 THR CB . 18362 1 279 . 1 1 91 91 THR N N 15 110.025 0.20 . 1 . . . . . 91 THR N . 18362 1 280 . 1 1 92 92 ASP H H 1 7.077 0.02 . 1 . . . . . 92 ASP H . 18362 1 281 . 1 1 92 92 ASP C C 13 178.871 0.20 . 1 . . . . . 92 ASP CO . 18362 1 282 . 1 1 92 92 ASP CA C 13 57.428 0.20 . 1 . . . . . 92 ASP CA . 18362 1 283 . 1 1 92 92 ASP CB C 13 40.755 0.20 . 1 . . . . . 92 ASP CB . 18362 1 284 . 1 1 92 92 ASP N N 15 121.917 0.20 . 1 . . . . . 92 ASP N . 18362 1 285 . 1 1 93 93 ILE H H 1 7.219 0.02 . 1 . . . . . 93 ILE H . 18362 1 286 . 1 1 93 93 ILE C C 13 176.573 0.20 . 1 . . . . . 93 ILE CO . 18362 1 287 . 1 1 93 93 ILE CA C 13 64.607 0.20 . 1 . . . . . 93 ILE CA . 18362 1 288 . 1 1 93 93 ILE CB C 13 39.145 0.20 . 1 . . . . . 93 ILE CB . 18362 1 289 . 1 1 93 93 ILE N N 15 120.939 0.20 . 1 . . . . . 93 ILE N . 18362 1 290 . 1 1 94 94 ALA H H 1 8.135 0.02 . 1 . . . . . 94 ALA H . 18362 1 291 . 1 1 94 94 ALA C C 13 179.819 0.20 . 1 . . . . . 94 ALA CO . 18362 1 292 . 1 1 94 94 ALA CA C 13 55.206 0.20 . 1 . . . . . 94 ALA CA . 18362 1 293 . 1 1 94 94 ALA CB C 13 18.623 0.20 . 1 . . . . . 94 ALA CB . 18362 1 294 . 1 1 94 94 ALA N N 15 118.474 0.20 . 1 . . . . . 94 ALA N . 18362 1 295 . 1 1 95 95 GLU H H 1 7.941 0.02 . 1 . . . . . 95 GLU H . 18362 1 296 . 1 1 95 95 GLU C C 13 179.525 0.20 . 1 . . . . . 95 GLU CO . 18362 1 297 . 1 1 95 95 GLU CA C 13 59.036 0.20 . 1 . . . . . 95 GLU CA . 18362 1 298 . 1 1 95 95 GLU CB C 13 29.763 0.20 . 1 . . . . . 95 GLU CB . 18362 1 299 . 1 1 95 95 GLU N N 15 116.583 0.20 . 1 . . . . . 95 GLU N . 18362 1 300 . 1 1 96 96 GLU H H 1 7.770 0.02 . 1 . . . . . 96 GLU H . 18362 1 301 . 1 1 96 96 GLU C C 13 177.743 0.20 . 1 . . . . . 96 GLU CO . 18362 1 302 . 1 1 96 96 GLU CA C 13 58.921 0.20 . 1 . . . . . 96 GLU CA . 18362 1 303 . 1 1 96 96 GLU CB C 13 29.161 0.20 . 1 . . . . . 96 GLU CB . 18362 1 304 . 1 1 96 96 GLU N N 15 120.681 0.20 . 1 . . . . . 96 GLU N . 18362 1 305 . 1 1 97 97 LEU H H 1 7.361 0.02 . 1 . . . . . 97 LEU H . 18362 1 306 . 1 1 97 97 LEU CA C 13 54.392 0.20 . 1 . . . . . 97 LEU CA . 18362 1 307 . 1 1 97 97 LEU CB C 13 42.170 0.20 . 1 . . . . . 97 LEU CB . 18362 1 308 . 1 1 97 97 LEU N N 15 112.826 0.20 . 1 . . . . . 97 LEU N . 18362 1 309 . 1 1 101 101 PRO C C 13 179.411 0.20 . 1 . . . . . 101 PRO CO . 18362 1 310 . 1 1 101 101 PRO CA C 13 65.999 0.20 . 1 . . . . . 101 PRO CA . 18362 1 311 . 1 1 101 101 PRO CB C 13 32.021 0.20 . 1 . . . . . 101 PRO CB . 18362 1 312 . 1 1 102 102 VAL H H 1 7.474 0.02 . 1 . . . . . 102 VAL H . 18362 1 313 . 1 1 102 102 VAL C C 13 176.129 0.20 . 1 . . . . . 102 VAL CO . 18362 1 314 . 1 1 102 102 VAL CA C 13 63.389 0.20 . 1 . . . . . 102 VAL CA . 18362 1 315 . 1 1 102 102 VAL CB C 13 31.467 0.20 . 1 . . . . . 102 VAL CB . 18362 1 316 . 1 1 102 102 VAL N N 15 109.777 0.20 . 1 . . . . . 102 VAL N . 18362 1 317 . 1 1 103 103 LYS H H 1 8.143 0.02 . 1 . . . . . 103 LYS H . 18362 1 318 . 1 1 103 103 LYS C C 13 177.470 0.20 . 1 . . . . . 103 LYS CO . 18362 1 319 . 1 1 103 103 LYS CA C 13 53.338 0.20 . 1 . . . . . 103 LYS CA . 18362 1 320 . 1 1 103 103 LYS CB C 13 33.355 0.20 . 1 . . . . . 103 LYS CB . 18362 1 321 . 1 1 103 103 LYS N N 15 116.931 0.20 . 1 . . . . . 103 LYS N . 18362 1 322 . 1 1 104 104 ILE H H 1 7.547 0.02 . 1 . . . . . 104 ILE H . 18362 1 323 . 1 1 104 104 ILE C C 13 177.024 0.20 . 1 . . . . . 104 ILE CO . 18362 1 324 . 1 1 104 104 ILE CA C 13 63.406 0.20 . 1 . . . . . 104 ILE CA . 18362 1 325 . 1 1 104 104 ILE CB C 13 37.923 0.20 . 1 . . . . . 104 ILE CB . 18362 1 326 . 1 1 104 104 ILE N N 15 122.301 0.20 . 1 . . . . . 104 ILE N . 18362 1 327 . 1 1 105 105 HIS H H 1 8.506 0.02 . 1 . . . . . 105 HIS H . 18362 1 328 . 1 1 105 105 HIS C C 13 177.397 0.20 . 1 . . . . . 105 HIS CO . 18362 1 329 . 1 1 105 105 HIS CA C 13 59.230 0.20 . 1 . . . . . 105 HIS CA . 18362 1 330 . 1 1 105 105 HIS CB C 13 29.268 0.20 . 1 . . . . . 105 HIS CB . 18362 1 331 . 1 1 105 105 HIS N N 15 118.825 0.20 . 1 . . . . . 105 HIS N . 18362 1 332 . 1 1 106 106 CYS H H 1 7.504 0.02 . 1 . . . . . 106 CYS H . 18362 1 333 . 1 1 106 106 CYS C C 13 175.288 0.20 . 1 . . . . . 106 CYS CO . 18362 1 334 . 1 1 106 106 CYS CA C 13 63.094 0.20 . 1 . . . . . 106 CYS CA . 18362 1 335 . 1 1 106 106 CYS CB C 13 27.471 0.20 . 1 . . . . . 106 CYS CB . 18362 1 336 . 1 1 106 106 CYS N N 15 120.378 0.20 . 1 . . . . . 106 CYS N . 18362 1 337 . 1 1 107 107 ALA H H 1 6.999 0.02 . 1 . . . . . 107 ALA H . 18362 1 338 . 1 1 107 107 ALA C C 13 178.521 0.20 . 1 . . . . . 107 ALA CO . 18362 1 339 . 1 1 107 107 ALA CA C 13 54.384 0.20 . 1 . . . . . 107 ALA CA . 18362 1 340 . 1 1 107 107 ALA CB C 13 18.886 0.20 . 1 . . . . . 107 ALA CB . 18362 1 341 . 1 1 107 107 ALA N N 15 120.490 0.20 . 1 . . . . . 107 ALA N . 18362 1 342 . 1 1 108 108 ILE H H 1 7.376 0.02 . 1 . . . . . 108 ILE H . 18362 1 343 . 1 1 108 108 ILE C C 13 177.031 0.20 . 1 . . . . . 108 ILE CO . 18362 1 344 . 1 1 108 108 ILE CA C 13 65.540 0.20 . 1 . . . . . 108 ILE CA . 18362 1 345 . 1 1 108 108 ILE CB C 13 38.458 0.20 . 1 . . . . . 108 ILE CB . 18362 1 346 . 1 1 108 108 ILE N N 15 119.323 0.20 . 1 . . . . . 108 ILE N . 18362 1 347 . 1 1 109 109 LEU H H 1 8.050 0.02 . 1 . . . . . 109 LEU H . 18362 1 348 . 1 1 109 109 LEU C C 13 177.569 0.20 . 1 . . . . . 109 LEU CO . 18362 1 349 . 1 1 109 109 LEU CA C 13 57.773 0.20 . 1 . . . . . 109 LEU CA . 18362 1 350 . 1 1 109 109 LEU CB C 13 41.780 0.20 . 1 . . . . . 109 LEU CB . 18362 1 351 . 1 1 109 109 LEU N N 15 119.378 0.20 . 1 . . . . . 109 LEU N . 18362 1 352 . 1 1 110 110 ALA H H 1 7.035 0.02 . 1 . . . . . 110 ALA H . 18362 1 353 . 1 1 110 110 ALA C C 13 178.402 0.20 . 1 . . . . . 110 ALA CO . 18362 1 354 . 1 1 110 110 ALA CA C 13 55.149 0.20 . 1 . . . . . 110 ALA CA . 18362 1 355 . 1 1 110 110 ALA CB C 13 18.100 0.20 . 1 . . . . . 110 ALA CB . 18362 1 356 . 1 1 110 110 ALA N N 15 118.390 0.20 . 1 . . . . . 110 ALA N . 18362 1 357 . 1 1 111 111 GLU H H 1 7.639 0.02 . 1 . . . . . 111 GLU H . 18362 1 358 . 1 1 111 111 GLU C C 13 178.005 0.20 . 1 . . . . . 111 GLU CO . 18362 1 359 . 1 1 111 111 GLU CA C 13 59.618 0.20 . 1 . . . . . 111 GLU CA . 18362 1 360 . 1 1 111 111 GLU CB C 13 29.670 0.20 . 1 . . . . . 111 GLU CB . 18362 1 361 . 1 1 111 111 GLU N N 15 118.509 0.20 . 1 . . . . . 111 GLU N . 18362 1 362 . 1 1 112 112 ASP H H 1 8.756 0.02 . 1 . . . . . 112 ASP H . 18362 1 363 . 1 1 112 112 ASP C C 13 179.889 0.20 . 1 . . . . . 112 ASP CO . 18362 1 364 . 1 1 112 112 ASP CA C 13 57.372 0.20 . 1 . . . . . 112 ASP CA . 18362 1 365 . 1 1 112 112 ASP CB C 13 39.852 0.20 . 1 . . . . . 112 ASP CB . 18362 1 366 . 1 1 112 112 ASP N N 15 119.693 0.20 . 1 . . . . . 112 ASP N . 18362 1 367 . 1 1 113 113 ALA H H 1 9.033 0.02 . 1 . . . . . 113 ALA H . 18362 1 368 . 1 1 113 113 ALA C C 13 179.356 0.20 . 1 . . . . . 113 ALA CO . 18362 1 369 . 1 1 113 113 ALA CA C 13 55.783 0.20 . 1 . . . . . 113 ALA CA . 18362 1 370 . 1 1 113 113 ALA CB C 13 18.270 0.20 . 1 . . . . . 113 ALA CB . 18362 1 371 . 1 1 113 113 ALA N N 15 124.945 0.20 . 1 . . . . . 113 ALA N . 18362 1 372 . 1 1 114 114 ILE H H 1 7.970 0.02 . 1 . . . . . 114 ILE H . 18362 1 373 . 1 1 114 114 ILE C C 13 177.797 0.20 . 1 . . . . . 114 ILE CO . 18362 1 374 . 1 1 114 114 ILE CA C 13 63.435 0.20 . 1 . . . . . 114 ILE CA . 18362 1 375 . 1 1 114 114 ILE CB C 13 37.359 0.20 . 1 . . . . . 114 ILE CB . 18362 1 376 . 1 1 114 114 ILE N N 15 118.240 0.20 . 1 . . . . . 114 ILE N . 18362 1 377 . 1 1 115 115 LYS H H 1 7.947 0.02 . 1 . . . . . 115 LYS H . 18362 1 378 . 1 1 115 115 LYS C C 13 179.908 0.20 . 1 . . . . . 115 LYS CO . 18362 1 379 . 1 1 115 115 LYS CA C 13 60.997 0.20 . 1 . . . . . 115 LYS CA . 18362 1 380 . 1 1 115 115 LYS CB C 13 32.192 0.20 . 1 . . . . . 115 LYS CB . 18362 1 381 . 1 1 115 115 LYS N N 15 119.664 0.20 . 1 . . . . . 115 LYS N . 18362 1 382 . 1 1 116 116 ALA H H 1 8.531 0.02 . 1 . . . . . 116 ALA H . 18362 1 383 . 1 1 116 116 ALA C C 13 180.040 0.20 . 1 . . . . . 116 ALA CO . 18362 1 384 . 1 1 116 116 ALA CA C 13 54.836 0.20 . 1 . . . . . 116 ALA CA . 18362 1 385 . 1 1 116 116 ALA CB C 13 18.075 0.20 . 1 . . . . . 116 ALA CB . 18362 1 386 . 1 1 116 116 ALA N N 15 122.708 0.20 . 1 . . . . . 116 ALA N . 18362 1 387 . 1 1 117 117 ALA H H 1 8.490 0.02 . 1 . . . . . 117 ALA H . 18362 1 388 . 1 1 117 117 ALA C C 13 179.709 0.20 . 1 . . . . . 117 ALA CO . 18362 1 389 . 1 1 117 117 ALA CA C 13 55.415 0.20 . 1 . . . . . 117 ALA CA . 18362 1 390 . 1 1 117 117 ALA CB C 13 18.000 0.20 . 1 . . . . . 117 ALA CB . 18362 1 391 . 1 1 117 117 ALA N N 15 124.695 0.20 . 1 . . . . . 117 ALA N . 18362 1 392 . 1 1 118 118 ILE H H 1 8.276 0.02 . 1 . . . . . 118 ILE H . 18362 1 393 . 1 1 118 118 ILE C C 13 177.431 0.20 . 1 . . . . . 118 ILE CO . 18362 1 394 . 1 1 118 118 ILE CA C 13 66.259 0.20 . 1 . . . . . 118 ILE CA . 18362 1 395 . 1 1 118 118 ILE CB C 13 38.838 0.20 . 1 . . . . . 118 ILE CB . 18362 1 396 . 1 1 118 118 ILE N N 15 118.756 0.20 . 1 . . . . . 118 ILE N . 18362 1 397 . 1 1 119 119 ALA H H 1 8.128 0.02 . 1 . . . . . 119 ALA H . 18362 1 398 . 1 1 119 119 ALA C C 13 180.787 0.20 . 1 . . . . . 119 ALA CO . 18362 1 399 . 1 1 119 119 ALA CA C 13 55.295 0.20 . 1 . . . . . 119 ALA CA . 18362 1 400 . 1 1 119 119 ALA CB C 13 17.900 0.20 . 1 . . . . . 119 ALA CB . 18362 1 401 . 1 1 119 119 ALA N N 15 121.547 0.20 . 1 . . . . . 119 ALA N . 18362 1 402 . 1 1 120 120 ASP H H 1 8.263 0.02 . 1 . . . . . 120 ASP H . 18362 1 403 . 1 1 120 120 ASP C C 13 178.384 0.20 . 1 . . . . . 120 ASP CO . 18362 1 404 . 1 1 120 120 ASP CA C 13 57.912 0.20 . 1 . . . . . 120 ASP CA . 18362 1 405 . 1 1 120 120 ASP CB C 13 43.745 0.20 . 1 . . . . . 120 ASP CB . 18362 1 406 . 1 1 120 120 ASP N N 15 119.702 0.20 . 1 . . . . . 120 ASP N . 18362 1 407 . 1 1 121 121 TYR H H 1 8.242 0.02 . 1 . . . . . 121 TYR H . 18362 1 408 . 1 1 121 121 TYR C C 13 177.574 0.20 . 1 . . . . . 121 TYR CO . 18362 1 409 . 1 1 121 121 TYR CA C 13 62.369 0.20 . 1 . . . . . 121 TYR CA . 18362 1 410 . 1 1 121 121 TYR CB C 13 38.274 0.20 . 1 . . . . . 121 TYR CB . 18362 1 411 . 1 1 121 121 TYR N N 15 119.503 0.20 . 1 . . . . . 121 TYR N . 18362 1 412 . 1 1 122 122 LYS H H 1 8.707 0.02 . 1 . . . . . 122 LYS H . 18362 1 413 . 1 1 122 122 LYS C C 13 179.470 0.20 . 1 . . . . . 122 LYS CO . 18362 1 414 . 1 1 122 122 LYS CA C 13 60.439 0.20 . 1 . . . . . 122 LYS CA . 18362 1 415 . 1 1 122 122 LYS CB C 13 32.486 0.20 . 1 . . . . . 122 LYS CB . 18362 1 416 . 1 1 122 122 LYS N N 15 117.586 0.20 . 1 . . . . . 122 LYS N . 18362 1 417 . 1 1 123 123 SER H H 1 8.216 0.02 . 1 . . . . . 123 SER H . 18362 1 418 . 1 1 123 123 SER C C 13 176.378 0.20 . 1 . . . . . 123 SER CO . 18362 1 419 . 1 1 123 123 SER CA C 13 61.263 0.20 . 1 . . . . . 123 SER CA . 18362 1 420 . 1 1 123 123 SER CB C 13 62.911 0.20 . 1 . . . . . 123 SER CB . 18362 1 421 . 1 1 123 123 SER N N 15 115.008 0.20 . 1 . . . . . 123 SER N . 18362 1 422 . 1 1 124 124 LYS H H 1 7.536 0.02 . 1 . . . . . 124 LYS H . 18362 1 423 . 1 1 124 124 LYS C C 13 177.930 0.20 . 1 . . . . . 124 LYS CO . 18362 1 424 . 1 1 124 124 LYS CA C 13 58.425 0.20 . 1 . . . . . 124 LYS CA . 18362 1 425 . 1 1 124 124 LYS CB C 13 32.745 0.20 . 1 . . . . . 124 LYS CB . 18362 1 426 . 1 1 124 124 LYS N N 15 121.411 0.20 . 1 . . . . . 124 LYS N . 18362 1 427 . 1 1 125 125 ARG H H 1 7.456 0.02 . 1 . . . . . 125 ARG H . 18362 1 428 . 1 1 125 125 ARG C C 13 176.833 0.20 . 1 . . . . . 125 ARG CO . 18362 1 429 . 1 1 125 125 ARG CA C 13 55.937 0.20 . 1 . . . . . 125 ARG CA . 18362 1 430 . 1 1 125 125 ARG CB C 13 30.010 0.20 . 1 . . . . . 125 ARG CB . 18362 1 431 . 1 1 125 125 ARG N N 15 117.621 0.20 . 1 . . . . . 125 ARG N . 18362 1 432 . 1 1 126 126 GLU H H 1 7.752 0.02 . 1 . . . . . 126 GLU H . 18362 1 433 . 1 1 126 126 GLU C C 13 176.124 0.20 . 1 . . . . . 126 GLU CO . 18362 1 434 . 1 1 126 126 GLU CA C 13 56.723 0.20 . 1 . . . . . 126 GLU CA . 18362 1 435 . 1 1 126 126 GLU CB C 13 30.223 0.20 . 1 . . . . . 126 GLU CB . 18362 1 436 . 1 1 126 126 GLU N N 15 119.632 0.20 . 1 . . . . . 126 GLU N . 18362 1 437 . 1 1 127 127 ALA H H 1 7.977 0.02 . 1 . . . . . 127 ALA H . 18362 1 438 . 1 1 127 127 ALA C C 13 176.666 0.20 . 1 . . . . . 127 ALA CO . 18362 1 439 . 1 1 127 127 ALA CA C 13 52.504 0.20 . 1 . . . . . 127 ALA CA . 18362 1 440 . 1 1 127 127 ALA CB C 13 19.058 0.20 . 1 . . . . . 127 ALA CB . 18362 1 441 . 1 1 127 127 ALA N N 15 124.727 0.20 . 1 . . . . . 127 ALA N . 18362 1 442 . 1 1 128 128 LYS H H 1 7.781 0.02 . 1 . . . . . 128 LYS H . 18362 1 443 . 1 1 128 128 LYS CA C 13 57.586 0.20 . 1 . . . . . 128 LYS CA . 18362 1 444 . 1 1 128 128 LYS CB C 13 33.722 0.20 . 1 . . . . . 128 LYS CB . 18362 1 445 . 1 1 128 128 LYS N N 15 126.148 0.20 . 1 . . . . . 128 LYS N . 18362 1 stop_ save_