################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26860 _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/HMQC' 1 $sample_1 isotropic 26860 1 2 '3D HNCA' 1 $sample_1 isotropic 26860 1 3 '3D HNCO' 1 $sample_1 isotropic 26860 1 4 '3D HNCACB' 1 $sample_1 isotropic 26860 1 5 'Expt_5 (H[N[co[{CA|ca[C]}]]])' 1 $sample_1 isotropic 26860 1 6 'Expt_6 (H[N[ca[CO]]])' 1 $sample_1 isotropic 26860 1 7 '3D HN(CO)CA' 1 $sample_1 isotropic 26860 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 $CcpNmr_Analysis . . 26860 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 2 2 GLY H H 1 6.712434504 . . . . . . . . 2 GLY H . 26860 1 2 . 1 . 1 2 2 GLY C C 13 171.9879128 . . . . . . . . 2 GLY C . 26860 1 3 . 1 . 1 2 2 GLY CA C 13 44.09204694 . . . . . . . . 2 GLY CA . 26860 1 4 . 1 . 1 2 2 GLY N N 15 107.3625468 . . . . . . . . 2 GLY N . 26860 1 5 . 1 . 1 3 3 LYS H H 1 8.275671651 . . . . . . . . 3 LYS H . 26860 1 6 . 1 . 1 3 3 LYS C C 13 175.9698355 . . . . . . . . 3 LYS C . 26860 1 7 . 1 . 1 3 3 LYS CA C 13 56.51718185 . . . . . . . . 3 LYS CA . 26860 1 8 . 1 . 1 3 3 LYS CB C 13 34.77777404 . . . . . . . . 3 LYS CB . 26860 1 9 . 1 . 1 3 3 LYS N N 15 117.8572948 . . . . . . . . 3 LYS N . 26860 1 10 . 1 . 1 4 4 ILE H H 1 9.254978831 . . . . . . . . 4 ILE H . 26860 1 11 . 1 . 1 4 4 ILE C C 13 174.6153378 . . . . . . . . 4 ILE C . 26860 1 12 . 1 . 1 4 4 ILE CA C 13 56.67490335 . . . . . . . . 4 ILE CA . 26860 1 13 . 1 . 1 4 4 ILE CB C 13 38.21978536 . . . . . . . . 4 ILE CB . 26860 1 14 . 1 . 1 4 4 ILE N N 15 121.05746 . . . . . . . . 4 ILE N . 26860 1 15 . 1 . 1 5 5 ILE H H 1 9.123771215 . . . . . . . . 5 ILE H . 26860 1 16 . 1 . 1 5 5 ILE C C 13 173.9148035 . . . . . . . . 5 ILE C . 26860 1 17 . 1 . 1 5 5 ILE CA C 13 60.58316827 . . . . . . . . 5 ILE CA . 26860 1 18 . 1 . 1 5 5 ILE CB C 13 40.01380329 . . . . . . . . 5 ILE CB . 26860 1 19 . 1 . 1 5 5 ILE N N 15 126.076804 . . . . . . . . 5 ILE N . 26860 1 20 . 1 . 1 6 6 LEU H H 1 8.678273167 . . . . . . . . 6 LEU H . 26860 1 21 . 1 . 1 6 6 LEU C C 13 175.1771387 . . . . . . . . 6 LEU C . 26860 1 22 . 1 . 1 6 6 LEU CA C 13 53.38504761 . . . . . . . . 6 LEU CA . 26860 1 23 . 1 . 1 6 6 LEU CB C 13 43.18740324 . . . . . . . . 6 LEU CB . 26860 1 24 . 1 . 1 6 6 LEU N N 15 125.7231711 . . . . . . . . 6 LEU N . 26860 1 25 . 1 . 1 7 7 PHE H H 1 8.866393231 . . . . . . . . 7 PHE H . 26860 1 26 . 1 . 1 7 7 PHE C C 13 177.0591331 . . . . . . . . 7 PHE C . 26860 1 27 . 1 . 1 7 7 PHE CA C 13 57.52690334 . . . . . . . . 7 PHE CA . 26860 1 28 . 1 . 1 7 7 PHE CB C 13 40.98033649 . . . . . . . . 7 PHE CB . 26860 1 29 . 1 . 1 7 7 PHE N N 15 117.1141297 . . . . . . . . 7 PHE N . 26860 1 30 . 1 . 1 8 8 GLU H H 1 8.905233662 . . . . . . . . 8 GLU H . 26860 1 31 . 1 . 1 8 8 GLU C C 13 174.4039561 . . . . . . . . 8 GLU C . 26860 1 32 . 1 . 1 8 8 GLU CA C 13 57.79808965 . . . . . . . . 8 GLU CA . 26860 1 33 . 1 . 1 8 8 GLU CB C 13 32.36950567 . . . . . . . . 8 GLU CB . 26860 1 34 . 1 . 1 8 8 GLU N N 15 121.8368839 . . . . . . . . 8 GLU N . 26860 1 35 . 1 . 1 9 9 ASP H H 1 7.974454346 . . . . . . . . 9 ASP H . 26860 1 36 . 1 . 1 9 9 ASP C C 13 177.5853874 . . . . . . . . 9 ASP C . 26860 1 37 . 1 . 1 9 9 ASP CA C 13 51.4709792 . . . . . . . . 9 ASP CA . 26860 1 38 . 1 . 1 9 9 ASP CB C 13 43.89471308 . . . . . . . . 9 ASP CB . 26860 1 39 . 1 . 1 9 9 ASP N N 15 114.2852128 . . . . . . . . 9 ASP N . 26860 1 40 . 1 . 1 10 10 VAL H H 1 8.491818702 . . . . . . . . 10 VAL H . 26860 1 41 . 1 . 1 10 10 VAL C C 13 175.8253325 . . . . . . . . 10 VAL C . 26860 1 42 . 1 . 1 10 10 VAL CA C 13 61.93523381 . . . . . . . . 10 VAL CA . 26860 1 43 . 1 . 1 10 10 VAL CB C 13 32.99868435 . . . . . . . . 10 VAL CB . 26860 1 44 . 1 . 1 10 10 VAL N N 15 113.1505011 . . . . . . . . 10 VAL N . 26860 1 45 . 1 . 1 11 11 GLU H H 1 9.342552239 . . . . . . . . 11 GLU H . 26860 1 46 . 1 . 1 11 11 GLU C C 13 175.1030495 . . . . . . . . 11 GLU C . 26860 1 47 . 1 . 1 11 11 GLU CA C 13 56.93649828 . . . . . . . . 11 GLU CA . 26860 1 48 . 1 . 1 11 11 GLU CB C 13 26.17624532 . . . . . . . . 11 GLU CB . 26860 1 49 . 1 . 1 11 11 GLU CG C 13 35.83068013 . . . . . . . . 11 GLU CG . 26860 1 50 . 1 . 1 11 11 GLU N N 15 114.351086 . . . . . . . . 11 GLU N . 26860 1 51 . 1 . 1 12 12 PHE H H 1 7.748552652 . . . . . . . . 12 PHE H . 26860 1 52 . 1 . 1 12 12 PHE C C 13 175.9113611 . . . . . . . . 12 PHE C . 26860 1 53 . 1 . 1 12 12 PHE CA C 13 56.06309982 . . . . . . . . 12 PHE CA . 26860 1 54 . 1 . 1 12 12 PHE CB C 13 35.11584992 . . . . . . . . 12 PHE CB . 26860 1 55 . 1 . 1 12 12 PHE N N 15 113.137463 . . . . . . . . 12 PHE N . 26860 1 56 . 1 . 1 13 13 GLY H H 1 6.658397075 . . . . . . . . 13 GLY H . 26860 1 57 . 1 . 1 13 13 GLY C C 13 173.0244385 . . . . . . . . 13 GLY C . 26860 1 58 . 1 . 1 13 13 GLY CA C 13 44.16209702 . . . . . . . . 13 GLY CA . 26860 1 59 . 1 . 1 13 13 GLY N N 15 105.9894565 . . . . . . . . 13 GLY N . 26860 1 60 . 1 . 1 14 14 GLY H H 1 8.198760495 . . . . . . . . 14 GLY H . 26860 1 61 . 1 . 1 14 14 GLY C C 13 174.8580502 . . . . . . . . 14 GLY C . 26860 1 62 . 1 . 1 14 14 GLY CA C 13 45.31073235 . . . . . . . . 14 GLY CA . 26860 1 63 . 1 . 1 14 14 GLY N N 15 104.5165505 . . . . . . . . 14 GLY N . 26860 1 64 . 1 . 1 15 15 LYS H H 1 8.93810535 . . . . . . . . 15 LYS H . 26860 1 65 . 1 . 1 15 15 LYS C C 13 174.1849892 . . . . . . . . 15 LYS C . 26860 1 66 . 1 . 1 15 15 LYS CA C 13 58.03153146 . . . . . . . . 15 LYS CA . 26860 1 67 . 1 . 1 15 15 LYS CB C 13 33.64973477 . . . . . . . . 15 LYS CB . 26860 1 68 . 1 . 1 15 15 LYS N N 15 120.9953722 . . . . . . . . 15 LYS N . 26860 1 69 . 1 . 1 16 16 LYS H H 1 8.059895889 . . . . . . . . 16 LYS H . 26860 1 70 . 1 . 1 16 16 LYS C C 13 175.070294 . . . . . . . . 16 LYS C . 26860 1 71 . 1 . 1 16 16 LYS CA C 13 53.37474367 . . . . . . . . 16 LYS CA . 26860 1 72 . 1 . 1 16 16 LYS CB C 13 37.20448986 . . . . . . . . 16 LYS CB . 26860 1 73 . 1 . 1 16 16 LYS N N 15 117.0906873 . . . . . . . . 16 LYS N . 26860 1 74 . 1 . 1 17 17 LEU H H 1 8.523434105 . . . . . . . . 17 LEU H . 26860 1 75 . 1 . 1 17 17 LEU C C 13 173.908728 . . . . . . . . 17 LEU C . 26860 1 76 . 1 . 1 17 17 LEU CA C 13 53.38715279 . . . . . . . . 17 LEU CA . 26860 1 77 . 1 . 1 17 17 LEU CB C 13 43.6875238 . . . . . . . . 17 LEU CB . 26860 1 78 . 1 . 1 17 17 LEU N N 15 125.2490064 . . . . . . . . 17 LEU N . 26860 1 79 . 1 . 1 18 18 GLU H H 1 8.434477684 . . . . . . . . 18 GLU H . 26860 1 80 . 1 . 1 18 18 GLU C C 13 175.2801994 . . . . . . . . 18 GLU C . 26860 1 81 . 1 . 1 18 18 GLU CA C 13 54.97066736 . . . . . . . . 18 GLU CA . 26860 1 82 . 1 . 1 18 18 GLU CB C 13 31.16725649 . . . . . . . . 18 GLU CB . 26860 1 83 . 1 . 1 18 18 GLU N N 15 126.0899338 . . . . . . . . 18 GLU N . 26860 1 84 . 1 . 1 19 19 LEU H H 1 9.020903946 . . . . . . . . 19 LEU H . 26860 1 85 . 1 . 1 19 19 LEU C C 13 175.9222989 . . . . . . . . 19 LEU C . 26860 1 86 . 1 . 1 19 19 LEU CA C 13 53.85674491 . . . . . . . . 19 LEU CA . 26860 1 87 . 1 . 1 19 19 LEU CB C 13 46.10467931 . . . . . . . . 19 LEU CB . 26860 1 88 . 1 . 1 19 19 LEU N N 15 123.2165451 . . . . . . . . 19 LEU N . 26860 1 89 . 1 . 1 20 20 GLU H H 1 8.788447645 . . . . . . . . 20 GLU H . 26860 1 90 . 1 . 1 20 20 GLU C C 13 175.1479035 . . . . . . . . 20 GLU C . 26860 1 91 . 1 . 1 20 20 GLU CA C 13 55.05844877 . . . . . . . . 20 GLU CA . 26860 1 92 . 1 . 1 20 20 GLU CB C 13 32.18334184 . . . . . . . . 20 GLU CB . 26860 1 93 . 1 . 1 20 20 GLU N N 15 117.3687764 . . . . . . . . 20 GLU N . 26860 1 94 . 1 . 1 21 21 THR H H 1 7.64483519 . . . . . . . . 21 THR H . 26860 1 95 . 1 . 1 21 21 THR C C 13 171.8938195 . . . . . . . . 21 THR C . 26860 1 96 . 1 . 1 21 21 THR CA C 13 59.37262751 . . . . . . . . 21 THR CA . 26860 1 97 . 1 . 1 21 21 THR CB C 13 71.16744044 . . . . . . . . 21 THR CB . 26860 1 98 . 1 . 1 21 21 THR N N 15 112.5416372 . . . . . . . . 21 THR N . 26860 1 99 . 1 . 1 22 22 SER H H 1 7.977894387 . . . . . . . . 22 SER H . 26860 1 100 . 1 . 1 22 22 SER C C 13 174.463949 . . . . . . . . 22 SER C . 26860 1 101 . 1 . 1 22 22 SER CA C 13 59.96466574 . . . . . . . . 22 SER CA . 26860 1 102 . 1 . 1 22 22 SER CB C 13 63.95564227 . . . . . . . . 22 SER CB . 26860 1 103 . 1 . 1 22 22 SER N N 15 114.5950246 . . . . . . . . 22 SER N . 26860 1 104 . 1 . 1 23 23 VAL H H 1 9.68953725 . . . . . . . . 23 VAL H . 26860 1 105 . 1 . 1 23 23 VAL C C 13 174.7066237 . . . . . . . . 23 VAL C . 26860 1 106 . 1 . 1 23 23 VAL CA C 13 62.13949087 . . . . . . . . 23 VAL CA . 26860 1 107 . 1 . 1 23 23 VAL CB C 13 32.74208 . . . . . . . . 23 VAL CB . 26860 1 108 . 1 . 1 23 23 VAL N N 15 123.4553165 . . . . . . . . 23 VAL N . 26860 1 109 . 1 . 1 24 24 SER H H 1 9.021247673 . . . . . . . . 24 SER H . 26860 1 110 . 1 . 1 24 24 SER C C 13 175.8931309 . . . . . . . . 24 SER C . 26860 1 111 . 1 . 1 24 24 SER CA C 13 55.23325209 . . . . . . . . 24 SER CA . 26860 1 112 . 1 . 1 24 24 SER CB C 13 67.8174772 . . . . . . . . 24 SER CB . 26860 1 113 . 1 . 1 24 24 SER N N 15 122.9533077 . . . . . . . . 24 SER N . 26860 1 114 . 1 . 1 25 25 ASP H H 1 7.64636637 . . . . . . . . 25 ASP H . 26860 1 115 . 1 . 1 25 25 ASP C C 13 177.6786797 . . . . . . . . 25 ASP C . 26860 1 116 . 1 . 1 25 25 ASP CA C 13 53.32060565 . . . . . . . . 25 ASP CA . 26860 1 117 . 1 . 1 25 25 ASP CB C 13 41.89304569 . . . . . . . . 25 ASP CB . 26860 1 118 . 1 . 1 25 25 ASP N N 15 118.1627108 . . . . . . . . 25 ASP N . 26860 1 119 . 1 . 1 26 26 LEU H H 1 8.885664252 . . . . . . . . 26 LEU H . 26860 1 120 . 1 . 1 26 26 LEU C C 13 179.5968891 . . . . . . . . 26 LEU C . 26860 1 121 . 1 . 1 26 26 LEU CA C 13 57.65401654 . . . . . . . . 26 LEU CA . 26860 1 122 . 1 . 1 26 26 LEU CB C 13 42.00964681 . . . . . . . . 26 LEU CB . 26860 1 123 . 1 . 1 26 26 LEU N N 15 124.5565946 . . . . . . . . 26 LEU N . 26860 1 124 . 1 . 1 27 27 ASN H H 1 9.284556253 . . . . . . . . 27 ASN H . 26860 1 125 . 1 . 1 27 27 ASN C C 13 178.7875975 . . . . . . . . 27 ASN C . 26860 1 126 . 1 . 1 27 27 ASN CA C 13 56.64061477 . . . . . . . . 27 ASN CA . 26860 1 127 . 1 . 1 27 27 ASN CB C 13 38.95440615 . . . . . . . . 27 ASN CB . 26860 1 128 . 1 . 1 27 27 ASN N N 15 121.21995 . . . . . . . . 27 ASN N . 26860 1 129 . 1 . 1 28 28 VAL H H 1 7.675910248 . . . . . . . . 28 VAL H . 26860 1 130 . 1 . 1 28 28 VAL C C 13 176.0604361 . . . . . . . . 28 VAL C . 26860 1 131 . 1 . 1 28 28 VAL CA C 13 65.00847366 . . . . . . . . 28 VAL CA . 26860 1 132 . 1 . 1 28 28 VAL CB C 13 31.70776337 . . . . . . . . 28 VAL CB . 26860 1 133 . 1 . 1 28 28 VAL N N 15 117.3962168 . . . . . . . . 28 VAL N . 26860 1 134 . 1 . 1 29 29 HIS H H 1 6.944239458 . . . . . . . . 29 HIS H . 26860 1 135 . 1 . 1 29 29 HIS C C 13 175.855091 . . . . . . . . 29 HIS C . 26860 1 136 . 1 . 1 29 29 HIS CA C 13 55.21144 . . . . . . . . 29 HIS CA . 26860 1 137 . 1 . 1 29 29 HIS CB C 13 34.06481298 . . . . . . . . 29 HIS CB . 26860 1 138 . 1 . 1 29 29 HIS N N 15 116.5670946 . . . . . . . . 29 HIS N . 26860 1 139 . 1 . 1 30 30 GLY H H 1 7.978211725 . . . . . . . . 30 GLY H . 26860 1 140 . 1 . 1 30 30 GLY C C 13 175.3220938 . . . . . . . . 30 GLY C . 26860 1 141 . 1 . 1 30 30 GLY CA C 13 47.21220512 . . . . . . . . 30 GLY CA . 26860 1 142 . 1 . 1 30 30 GLY N N 15 109.1506266 . . . . . . . . 30 GLY N . 26860 1 143 . 1 . 1 31 31 PHE H H 1 7.711944565 . . . . . . . . 31 PHE H . 26860 1 144 . 1 . 1 31 31 PHE C C 13 174.8780939 . . . . . . . . 31 PHE C . 26860 1 145 . 1 . 1 31 31 PHE CA C 13 57.01519014 . . . . . . . . 31 PHE CA . 26860 1 146 . 1 . 1 31 31 PHE CB C 13 43.6516652 . . . . . . . . 31 PHE CB . 26860 1 147 . 1 . 1 31 31 PHE N N 15 121.1938221 . . . . . . . . 31 PHE N . 26860 1 148 . 1 . 1 32 32 ASN H H 1 8.494547555 . . . . . . . . 32 ASN H . 26860 1 149 . 1 . 1 32 32 ASN C C 13 173.3643468 . . . . . . . . 32 ASN C . 26860 1 150 . 1 . 1 32 32 ASN CA C 13 54.26243378 . . . . . . . . 32 ASN CA . 26860 1 151 . 1 . 1 32 32 ASN CB C 13 40.95876159 . . . . . . . . 32 ASN CB . 26860 1 152 . 1 . 1 32 32 ASN N N 15 120.2562565 . . . . . . . . 32 ASN N . 26860 1 153 . 1 . 1 33 33 ASP H H 1 8.121259344 . . . . . . . . 33 ASP H . 26860 1 154 . 1 . 1 33 33 ASP C C 13 173.8118529 . . . . . . . . 33 ASP C . 26860 1 155 . 1 . 1 33 33 ASP CA C 13 55.77261505 . . . . . . . . 33 ASP CA . 26860 1 156 . 1 . 1 33 33 ASP CB C 13 38.50859381 . . . . . . . . 33 ASP CB . 26860 1 157 . 1 . 1 33 33 ASP N N 15 124.3367209 . . . . . . . . 33 ASP N . 26860 1 158 . 1 . 1 34 34 ILE H H 1 9.010181493 . . . . . . . . 34 ILE H . 26860 1 159 . 1 . 1 34 34 ILE C C 13 175.8087537 . . . . . . . . 34 ILE C . 26860 1 160 . 1 . 1 34 34 ILE CA C 13 60.81891042 . . . . . . . . 34 ILE CA . 26860 1 161 . 1 . 1 34 34 ILE CB C 13 43.08387334 . . . . . . . . 34 ILE CB . 26860 1 162 . 1 . 1 34 34 ILE N N 15 110.295522 . . . . . . . . 34 ILE N . 26860 1 163 . 1 . 1 35 35 VAL H H 1 8.475970191 . . . . . . . . 35 VAL H . 26860 1 164 . 1 . 1 35 35 VAL C C 13 178.0737888 . . . . . . . . 35 VAL C . 26860 1 165 . 1 . 1 35 35 VAL CA C 13 65.66703878 . . . . . . . . 35 VAL CA . 26860 1 166 . 1 . 1 35 35 VAL CB C 13 32.20132525 . . . . . . . . 35 VAL CB . 26860 1 167 . 1 . 1 35 35 VAL N N 15 124.1172173 . . . . . . . . 35 VAL N . 26860 1 168 . 1 . 1 36 36 SER H H 1 8.841244021 . . . . . . . . 36 SER H . 26860 1 169 . 1 . 1 36 36 SER C C 13 175.3248801 . . . . . . . . 36 SER C . 26860 1 170 . 1 . 1 36 36 SER CA C 13 59.73929159 . . . . . . . . 36 SER CA . 26860 1 171 . 1 . 1 36 36 SER CB C 13 66.48110053 . . . . . . . . 36 SER CB . 26860 1 172 . 1 . 1 36 36 SER N N 15 122.7700865 . . . . . . . . 36 SER N . 26860 1 173 . 1 . 1 37 37 SER H H 1 8.104112773 . . . . . . . . 37 SER H . 26860 1 174 . 1 . 1 37 37 SER C C 13 173.1562719 . . . . . . . . 37 SER C . 26860 1 175 . 1 . 1 37 37 SER CA C 13 60.28312257 . . . . . . . . 37 SER CA . 26860 1 176 . 1 . 1 37 37 SER CB C 13 65.40434135 . . . . . . . . 37 SER CB . 26860 1 177 . 1 . 1 37 37 SER N N 15 109.051484 . . . . . . . . 37 SER N . 26860 1 178 . 1 . 1 38 38 ILE H H 1 9.19646218 . . . . . . . . 38 ILE H . 26860 1 179 . 1 . 1 38 38 ILE C C 13 175.6036821 . . . . . . . . 38 ILE C . 26860 1 180 . 1 . 1 38 38 ILE CA C 13 61.34797165 . . . . . . . . 38 ILE CA . 26860 1 181 . 1 . 1 38 38 ILE CB C 13 45.64654353 . . . . . . . . 38 ILE CB . 26860 1 182 . 1 . 1 38 38 ILE N N 15 117.7789324 . . . . . . . . 38 ILE N . 26860 1 183 . 1 . 1 39 39 ILE H H 1 9.685033202 . . . . . . . . 39 ILE H . 26860 1 184 . 1 . 1 39 39 ILE C C 13 175.2622446 . . . . . . . . 39 ILE C . 26860 1 185 . 1 . 1 39 39 ILE CA C 13 62.14005582 . . . . . . . . 39 ILE CA . 26860 1 186 . 1 . 1 39 39 ILE CB C 13 42.27643324 . . . . . . . . 39 ILE CB . 26860 1 187 . 1 . 1 39 39 ILE N N 15 126.099756 . . . . . . . . 39 ILE N . 26860 1 188 . 1 . 1 40 40 VAL H H 1 9.138034779 . . . . . . . . 40 VAL H . 26860 1 189 . 1 . 1 40 40 VAL C C 13 176.5179512 . . . . . . . . 40 VAL C . 26860 1 190 . 1 . 1 40 40 VAL CA C 13 61.62115943 . . . . . . . . 40 VAL CA . 26860 1 191 . 1 . 1 40 40 VAL CB C 13 32.1524252 . . . . . . . . 40 VAL CB . 26860 1 192 . 1 . 1 40 40 VAL N N 15 127.2585236 . . . . . . . . 40 VAL N . 26860 1 193 . 1 . 1 41 41 GLU H H 1 8.331015024 . . . . . . . . 41 GLU H . 26860 1 194 . 1 . 1 41 41 GLU C C 13 176.5781164 . . . . . . . . 41 GLU C . 26860 1 195 . 1 . 1 41 41 GLU CA C 13 58.8270441 . . . . . . . . 41 GLU CA . 26860 1 196 . 1 . 1 41 41 GLU CB C 13 31.18623782 . . . . . . . . 41 GLU CB . 26860 1 197 . 1 . 1 41 41 GLU N N 15 128.9885971 . . . . . . . . 41 GLU N . 26860 1 198 . 1 . 1 42 42 SER H H 1 8.12118909 . . . . . . . . 42 SER H . 26860 1 199 . 1 . 1 42 42 SER C C 13 174.2052158 . . . . . . . . 42 SER C . 26860 1 200 . 1 . 1 42 42 SER CA C 13 58.03906213 . . . . . . . . 42 SER CA . 26860 1 201 . 1 . 1 42 42 SER CB C 13 63.77190519 . . . . . . . . 42 SER CB . 26860 1 202 . 1 . 1 42 42 SER N N 15 109.0582353 . . . . . . . . 42 SER N . 26860 1 203 . 1 . 1 43 43 GLY H H 1 8.746655296 . . . . . . . . 43 GLY H . 26860 1 204 . 1 . 1 43 43 GLY C C 13 170.3044892 . . . . . . . . 43 GLY C . 26860 1 205 . 1 . 1 43 43 GLY CA C 13 44.49257207 . . . . . . . . 43 GLY CA . 26860 1 206 . 1 . 1 43 43 GLY N N 15 112.0960648 . . . . . . . . 43 GLY N . 26860 1 207 . 1 . 1 44 44 THR H H 1 7.699061049 . . . . . . . . 44 THR H . 26860 1 208 . 1 . 1 44 44 THR C C 13 173.4268868 . . . . . . . . 44 THR C . 26860 1 209 . 1 . 1 44 44 THR CA C 13 62.19316191 . . . . . . . . 44 THR CA . 26860 1 210 . 1 . 1 44 44 THR CB C 13 69.93452099 . . . . . . . . 44 THR CB . 26860 1 211 . 1 . 1 44 44 THR N N 15 112.2359427 . . . . . . . . 44 THR N . 26860 1 212 . 1 . 1 45 45 TRP H H 1 8.771605634 . . . . . . . . 45 TRP H . 26860 1 213 . 1 . 1 45 45 TRP C C 13 173.7629119 . . . . . . . . 45 TRP C . 26860 1 214 . 1 . 1 45 45 TRP CA C 13 55.27052831 . . . . . . . . 45 TRP CA . 26860 1 215 . 1 . 1 45 45 TRP CB C 13 32.77959223 . . . . . . . . 45 TRP CB . 26860 1 216 . 1 . 1 45 45 TRP N N 15 126.0369999 . . . . . . . . 45 TRP N . 26860 1 217 . 1 . 1 46 46 PHE H H 1 9.706015963 . . . . . . . . 46 PHE H . 26860 1 218 . 1 . 1 46 46 PHE C C 13 175.2665628 . . . . . . . . 46 PHE C . 26860 1 219 . 1 . 1 46 46 PHE CA C 13 56.17674496 . . . . . . . . 46 PHE CA . 26860 1 220 . 1 . 1 46 46 PHE CB C 13 42.39995945 . . . . . . . . 46 PHE CB . 26860 1 221 . 1 . 1 46 46 PHE N N 15 120.1642519 . . . . . . . . 46 PHE N . 26860 1 222 . 1 . 1 47 47 VAL H H 1 8.788905885 . . . . . . . . 47 VAL H . 26860 1 223 . 1 . 1 47 47 VAL C C 13 173.8515903 . . . . . . . . 47 VAL C . 26860 1 224 . 1 . 1 47 47 VAL CA C 13 58.86441622 . . . . . . . . 47 VAL CA . 26860 1 225 . 1 . 1 47 47 VAL CB C 13 33.7227447 . . . . . . . . 47 VAL CB . 26860 1 226 . 1 . 1 47 47 VAL N N 15 115.0284784 . . . . . . . . 47 VAL N . 26860 1 227 . 1 . 1 48 48 PHE H H 1 8.771386929 . . . . . . . . 48 PHE H . 26860 1 228 . 1 . 1 48 48 PHE C C 13 177.3975315 . . . . . . . . 48 PHE C . 26860 1 229 . 1 . 1 48 48 PHE CA C 13 56.75533523 . . . . . . . . 48 PHE CA . 26860 1 230 . 1 . 1 48 48 PHE CB C 13 42.20161234 . . . . . . . . 48 PHE CB . 26860 1 231 . 1 . 1 48 48 PHE N N 15 119.0034406 . . . . . . . . 48 PHE N . 26860 1 232 . 1 . 1 49 49 ASP H H 1 8.767715439 . . . . . . . . 49 ASP H . 26860 1 233 . 1 . 1 49 49 ASP C C 13 174.9087545 . . . . . . . . 49 ASP C . 26860 1 234 . 1 . 1 49 49 ASP CA C 13 55.61451074 . . . . . . . . 49 ASP CA . 26860 1 235 . 1 . 1 49 49 ASP CB C 13 42.57798357 . . . . . . . . 49 ASP CB . 26860 1 236 . 1 . 1 49 49 ASP N N 15 121.7626852 . . . . . . . . 49 ASP N . 26860 1 237 . 1 . 1 50 50 ASP H H 1 8.039573242 . . . . . . . . 50 ASP H . 26860 1 238 . 1 . 1 50 50 ASP C C 13 180.383617 . . . . . . . . 50 ASP C . 26860 1 239 . 1 . 1 50 50 ASP CA C 13 57.97746301 . . . . . . . . 50 ASP CA . 26860 1 240 . 1 . 1 50 50 ASP CB C 13 42.96797206 . . . . . . . . 50 ASP CB . 26860 1 241 . 1 . 1 50 50 ASP N N 15 118.1828622 . . . . . . . . 50 ASP N . 26860 1 242 . 1 . 1 51 51 GLU H H 1 9.15971604 . . . . . . . . 51 GLU H . 26860 1 243 . 1 . 1 51 51 GLU C C 13 176.8983171 . . . . . . . . 51 GLU C . 26860 1 244 . 1 . 1 51 51 GLU CA C 13 56.70747892 . . . . . . . . 51 GLU CA . 26860 1 245 . 1 . 1 51 51 GLU CB C 13 29.93090709 . . . . . . . . 51 GLU CB . 26860 1 246 . 1 . 1 51 51 GLU N N 15 121.4522367 . . . . . . . . 51 GLU N . 26860 1 247 . 1 . 1 52 52 GLY H H 1 9.369344194 . . . . . . . . 52 GLY H . 26860 1 248 . 1 . 1 52 52 GLY C C 13 174.7758446 . . . . . . . . 52 GLY C . 26860 1 249 . 1 . 1 52 52 GLY CA C 13 46.59649949 . . . . . . . . 52 GLY CA . 26860 1 250 . 1 . 1 52 52 GLY N N 15 108.6943866 . . . . . . . . 52 GLY N . 26860 1 251 . 1 . 1 53 53 PHE H H 1 7.675304751 . . . . . . . . 53 PHE H . 26860 1 252 . 1 . 1 53 53 PHE C C 13 174.3753159 . . . . . . . . 53 PHE C . 26860 1 253 . 1 . 1 53 53 PHE CA C 13 54.42831992 . . . . . . . . 53 PHE CA . 26860 1 254 . 1 . 1 53 53 PHE CB C 13 35.78214616 . . . . . . . . 53 PHE CB . 26860 1 255 . 1 . 1 53 53 PHE N N 15 114.0515779 . . . . . . . . 53 PHE N . 26860 1 256 . 1 . 1 54 54 SER H H 1 6.272447687 . . . . . . . . 54 SER H . 26860 1 257 . 1 . 1 54 54 SER C C 13 172.2964716 . . . . . . . . 54 SER C . 26860 1 258 . 1 . 1 54 54 SER CA C 13 56.61488155 . . . . . . . . 54 SER CA . 26860 1 259 . 1 . 1 54 54 SER CB C 13 65.83239618 . . . . . . . . 54 SER CB . 26860 1 260 . 1 . 1 54 54 SER N N 15 113.0929003 . . . . . . . . 54 SER N . 26860 1 261 . 1 . 1 55 55 GLY H H 1 8.084698971 . . . . . . . . 55 GLY H . 26860 1 262 . 1 . 1 55 55 GLY C C 13 171.7732727 . . . . . . . . 55 GLY C . 26860 1 263 . 1 . 1 55 55 GLY CA C 13 44.91656866 . . . . . . . . 55 GLY CA . 26860 1 264 . 1 . 1 55 55 GLY N N 15 106.5087167 . . . . . . . . 55 GLY N . 26860 1 265 . 1 . 1 57 57 SER H H 1 7.416124567 . . . . . . . . 57 SER H . 26860 1 266 . 1 . 1 57 57 SER C C 13 173.5903414 . . . . . . . . 57 SER C . 26860 1 267 . 1 . 1 57 57 SER CA C 13 54.84341017 . . . . . . . . 57 SER CA . 26860 1 268 . 1 . 1 57 57 SER CB C 13 67.85146375 . . . . . . . . 57 SER CB . 26860 1 269 . 1 . 1 57 57 SER N N 15 113.8185373 . . . . . . . . 57 SER N . 26860 1 270 . 1 . 1 58 58 TYR H H 1 8.439900754 . . . . . . . . 58 TYR H . 26860 1 271 . 1 . 1 58 58 TYR C C 13 174.147549 . . . . . . . . 58 TYR C . 26860 1 272 . 1 . 1 58 58 TYR CA C 13 56.13228288 . . . . . . . . 58 TYR CA . 26860 1 273 . 1 . 1 58 58 TYR CB C 13 38.95181529 . . . . . . . . 58 TYR CB . 26860 1 274 . 1 . 1 58 58 TYR N N 15 120.2170813 . . . . . . . . 58 TYR N . 26860 1 275 . 1 . 1 59 59 LYS H H 1 8.632600553 . . . . . . . . 59 LYS H . 26860 1 276 . 1 . 1 59 59 LYS C C 13 175.3227539 . . . . . . . . 59 LYS C . 26860 1 277 . 1 . 1 59 59 LYS CA C 13 56.04230944 . . . . . . . . 59 LYS CA . 26860 1 278 . 1 . 1 59 59 LYS CB C 13 33.55085881 . . . . . . . . 59 LYS CB . 26860 1 279 . 1 . 1 59 59 LYS N N 15 125.4062913 . . . . . . . . 59 LYS N . 26860 1 280 . 1 . 1 60 60 LEU H H 1 9.583939721 . . . . . . . . 60 LEU H . 26860 1 281 . 1 . 1 60 60 LEU C C 13 175.1988803 . . . . . . . . 60 LEU C . 26860 1 282 . 1 . 1 60 60 LEU CA C 13 54.61583494 . . . . . . . . 60 LEU CA . 26860 1 283 . 1 . 1 60 60 LEU CB C 13 44.66832606 . . . . . . . . 60 LEU CB . 26860 1 284 . 1 . 1 60 60 LEU N N 15 129.3224848 . . . . . . . . 60 LEU N . 26860 1 285 . 1 . 1 61 61 THR H H 1 7.34572529 . . . . . . . . 61 THR H . 26860 1 286 . 1 . 1 61 61 THR C C 13 173.4280017 . . . . . . . . 61 THR C . 26860 1 287 . 1 . 1 61 61 THR CA C 13 59.61682387 . . . . . . . . 61 THR CA . 26860 1 288 . 1 . 1 61 61 THR CB C 13 67.08034563 . . . . . . . . 61 THR CB . 26860 1 289 . 1 . 1 61 61 THR N N 15 111.5826962 . . . . . . . . 61 THR N . 26860 1 290 . 1 . 1 63 63 GLY H H 1 9.001667241 . . . . . . . . 63 GLY H . 26860 1 291 . 1 . 1 63 63 GLY C C 13 170.8023738 . . . . . . . . 63 GLY C . 26860 1 292 . 1 . 1 63 63 GLY CA C 13 44.64423675 . . . . . . . . 63 GLY CA . 26860 1 293 . 1 . 1 63 63 GLY N N 15 112.5948163 . . . . . . . . 63 GLY N . 26860 1 294 . 1 . 1 64 64 LYS H H 1 8.364196475 . . . . . . . . 64 LYS H . 26860 1 295 . 1 . 1 64 64 LYS C C 13 172.6818482 . . . . . . . . 64 LYS C . 26860 1 296 . 1 . 1 64 64 LYS CA C 13 56.66702152 . . . . . . . . 64 LYS CA . 26860 1 297 . 1 . 1 64 64 LYS CB C 13 35.50655112 . . . . . . . . 64 LYS CB . 26860 1 298 . 1 . 1 64 64 LYS N N 15 121.1361047 . . . . . . . . 64 LYS N . 26860 1 299 . 1 . 1 65 65 TYR H H 1 8.733473634 . . . . . . . . 65 TYR H . 26860 1 300 . 1 . 1 65 65 TYR C C 13 170.3338402 . . . . . . . . 65 TYR C . 26860 1 301 . 1 . 1 65 65 TYR CA C 13 58.63952792 . . . . . . . . 65 TYR CA . 26860 1 302 . 1 . 1 65 65 TYR CB C 13 41.07840978 . . . . . . . . 65 TYR CB . 26860 1 303 . 1 . 1 65 65 TYR N N 15 129.2782842 . . . . . . . . 65 TYR N . 26860 1 304 . 1 . 1 67 67 ASN H H 1 7.397406485 . . . . . . . . 67 ASN H . 26860 1 305 . 1 . 1 67 67 ASN C C 13 172.9467382 . . . . . . . . 67 ASN C . 26860 1 306 . 1 . 1 67 67 ASN CA C 13 51.55669586 . . . . . . . . 67 ASN CA . 26860 1 307 . 1 . 1 67 67 ASN CB C 13 37.64669841 . . . . . . . . 67 ASN CB . 26860 1 308 . 1 . 1 67 67 ASN N N 15 112.3536059 . . . . . . . . 67 ASN N . 26860 1 309 . 1 . 1 69 69 GLY H H 1 8.02985502 . . . . . . . . 69 GLY H . 26860 1 310 . 1 . 1 69 69 GLY C C 13 177.4182621 . . . . . . . . 69 GLY C . 26860 1 311 . 1 . 1 69 69 GLY CA C 13 46.69022618 . . . . . . . . 69 GLY CA . 26860 1 312 . 1 . 1 69 69 GLY N N 15 104.8820711 . . . . . . . . 69 GLY N . 26860 1 313 . 1 . 1 70 70 SER H H 1 7.994013735 . . . . . . . . 70 SER H . 26860 1 314 . 1 . 1 70 70 SER C C 13 175.5507494 . . . . . . . . 70 SER C . 26860 1 315 . 1 . 1 70 70 SER CA C 13 61.79483099 . . . . . . . . 70 SER CA . 26860 1 316 . 1 . 1 70 70 SER CB C 13 63.85083847 . . . . . . . . 70 SER CB . 26860 1 317 . 1 . 1 70 70 SER N N 15 117.6804488 . . . . . . . . 70 SER N . 26860 1 318 . 1 . 1 71 71 TRP H H 1 7.330028027 . . . . . . . . 71 TRP H . 26860 1 319 . 1 . 1 71 71 TRP C C 13 175.4012145 . . . . . . . . 71 TRP C . 26860 1 320 . 1 . 1 71 71 TRP CA C 13 57.05038711 . . . . . . . . 71 TRP CA . 26860 1 321 . 1 . 1 71 71 TRP CB C 13 29.54271021 . . . . . . . . 71 TRP CB . 26860 1 322 . 1 . 1 71 71 TRP N N 15 118.1122366 . . . . . . . . 71 TRP N . 26860 1 323 . 1 . 1 72 72 GLY H H 1 7.490561412 . . . . . . . . 72 GLY H . 26860 1 324 . 1 . 1 72 72 GLY C C 13 175.216294 . . . . . . . . 72 GLY C . 26860 1 325 . 1 . 1 72 72 GLY CA C 13 45.67356983 . . . . . . . . 72 GLY CA . 26860 1 326 . 1 . 1 72 72 GLY N N 15 109.452444 . . . . . . . . 72 GLY N . 26860 1 327 . 1 . 1 73 73 GLY H H 1 7.489840981 . . . . . . . . 73 GLY H . 26860 1 328 . 1 . 1 73 73 GLY C C 13 172.885646 . . . . . . . . 73 GLY C . 26860 1 329 . 1 . 1 73 73 GLY CA C 13 45.65394679 . . . . . . . . 73 GLY CA . 26860 1 330 . 1 . 1 73 73 GLY N N 15 109.8630333 . . . . . . . . 73 GLY N . 26860 1 331 . 1 . 1 74 74 ASN H H 1 8.597769236 . . . . . . . . 74 ASN H . 26860 1 332 . 1 . 1 74 74 ASN C C 13 174.8000415 . . . . . . . . 74 ASN C . 26860 1 333 . 1 . 1 74 74 ASN CA C 13 51.89270556 . . . . . . . . 74 ASN CA . 26860 1 334 . 1 . 1 74 74 ASN CB C 13 42.60422435 . . . . . . . . 74 ASN CB . 26860 1 335 . 1 . 1 74 74 ASN N N 15 117.2924698 . . . . . . . . 74 ASN N . 26860 1 336 . 1 . 1 75 75 ASP H H 1 8.843976895 . . . . . . . . 75 ASP H . 26860 1 337 . 1 . 1 75 75 ASP C C 13 171.8206333 . . . . . . . . 75 ASP C . 26860 1 338 . 1 . 1 75 75 ASP CA C 13 54.51475656 . . . . . . . . 75 ASP CA . 26860 1 339 . 1 . 1 75 75 ASP CB C 13 56.32304925 . . . . . . . . 75 ASP CB . 26860 1 340 . 1 . 1 75 75 ASP N N 15 122.278413 . . . . . . . . 75 ASP N . 26860 1 341 . 1 . 1 76 76 ASP H H 1 7.902192345 . . . . . . . . 76 ASP H . 26860 1 342 . 1 . 1 76 76 ASP C C 13 174.1280003 . . . . . . . . 76 ASP C . 26860 1 343 . 1 . 1 76 76 ASP CA C 13 55.6166985 . . . . . . . . 76 ASP CA . 26860 1 344 . 1 . 1 76 76 ASP CB C 13 38.52691919 . . . . . . . . 76 ASP CB . 26860 1 345 . 1 . 1 76 76 ASP N N 15 120.6631147 . . . . . . . . 76 ASP N . 26860 1 346 . 1 . 1 77 77 GLU H H 1 9.04795734 . . . . . . . . 77 GLU H . 26860 1 347 . 1 . 1 77 77 GLU C C 13 176.2390479 . . . . . . . . 77 GLU C . 26860 1 348 . 1 . 1 77 77 GLU CA C 13 56.2232017 . . . . . . . . 77 GLU CA . 26860 1 349 . 1 . 1 77 77 GLU CB C 13 33.2096499 . . . . . . . . 77 GLU CB . 26860 1 350 . 1 . 1 77 77 GLU N N 15 114.2413016 . . . . . . . . 77 GLU N . 26860 1 351 . 1 . 1 78 78 LEU H H 1 8.442741515 . . . . . . . . 78 LEU H . 26860 1 352 . 1 . 1 78 78 LEU C C 13 174.1520296 . . . . . . . . 78 LEU C . 26860 1 353 . 1 . 1 78 78 LEU CA C 13 56.02784996 . . . . . . . . 78 LEU CA . 26860 1 354 . 1 . 1 78 78 LEU CB C 13 39.59638492 . . . . . . . . 78 LEU CB . 26860 1 355 . 1 . 1 78 78 LEU N N 15 120.9296723 . . . . . . . . 78 LEU N . 26860 1 356 . 1 . 1 79 79 SER H H 1 9.676093528 . . . . . . . . 79 SER H . 26860 1 357 . 1 . 1 79 79 SER C C 13 172.8900529 . . . . . . . . 79 SER C . 26860 1 358 . 1 . 1 79 79 SER CA C 13 60.64304402 . . . . . . . . 79 SER CA . 26860 1 359 . 1 . 1 79 79 SER CB C 13 68.71373439 . . . . . . . . 79 SER CB . 26860 1 360 . 1 . 1 79 79 SER N N 15 116.0039211 . . . . . . . . 79 SER N . 26860 1 361 . 1 . 1 80 80 SER H H 1 8.328250559 . . . . . . . . 80 SER H . 26860 1 362 . 1 . 1 80 80 SER C C 13 173.7069654 . . . . . . . . 80 SER C . 26860 1 363 . 1 . 1 80 80 SER CA C 13 59.58168528 . . . . . . . . 80 SER CA . 26860 1 364 . 1 . 1 80 80 SER CB C 13 65.69121032 . . . . . . . . 80 SER CB . 26860 1 365 . 1 . 1 80 80 SER N N 15 111.7671428 . . . . . . . . 80 SER N . 26860 1 366 . 1 . 1 81 81 VAL H H 1 8.98066898 . . . . . . . . 81 VAL H . 26860 1 367 . 1 . 1 81 81 VAL C C 13 173.1666217 . . . . . . . . 81 VAL C . 26860 1 368 . 1 . 1 81 81 VAL CA C 13 61.34207658 . . . . . . . . 81 VAL CA . 26860 1 369 . 1 . 1 81 81 VAL CB C 13 36.57578597 . . . . . . . . 81 VAL CB . 26860 1 370 . 1 . 1 81 81 VAL N N 15 115.8431621 . . . . . . . . 81 VAL N . 26860 1 371 . 1 . 1 82 82 LYS H H 1 10.48337545 . . . . . . . . 82 LYS H . 26860 1 372 . 1 . 1 82 82 LYS C C 13 174.1580651 . . . . . . . . 82 LYS C . 26860 1 373 . 1 . 1 82 82 LYS CA C 13 54.66647143 . . . . . . . . 82 LYS CA . 26860 1 374 . 1 . 1 82 82 LYS CB C 13 38.56887589 . . . . . . . . 82 LYS CB . 26860 1 375 . 1 . 1 82 82 LYS N N 15 128.5954812 . . . . . . . . 82 LYS N . 26860 1 376 . 1 . 1 83 83 GLN H H 1 8.331739142 . . . . . . . . 83 GLN H . 26860 1 377 . 1 . 1 83 83 GLN C C 13 175.112959 . . . . . . . . 83 GLN C . 26860 1 378 . 1 . 1 83 83 GLN CA C 13 56.96611601 . . . . . . . . 83 GLN CA . 26860 1 379 . 1 . 1 83 83 GLN CB C 13 29.24379181 . . . . . . . . 83 GLN CB . 26860 1 380 . 1 . 1 83 83 GLN N N 15 129.0190802 . . . . . . . . 83 GLN N . 26860 1 381 . 1 . 1 84 84 GLN H H 1 8.163705869 . . . . . . . . 84 GLN H . 26860 1 382 . 1 . 1 84 84 GLN C C 13 180.401816 . . . . . . . . 84 GLN C . 26860 1 383 . 1 . 1 84 84 GLN CA C 13 58.58264572 . . . . . . . . 84 GLN CA . 26860 1 384 . 1 . 1 84 84 GLN CB C 13 30.58386742 . . . . . . . . 84 GLN CB . 26860 1 385 . 1 . 1 84 84 GLN N N 15 131.7555575 . . . . . . . . 84 GLN N . 26860 1 stop_ save_