################################### # 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 50950 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name G4 _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 '3D NCACX' . . . 50950 1 2 '3D NCOCX' . . . 50950 1 3 CANCO . . . 50950 1 4 CONCA . . . 50950 1 5 DARR . . . 50950 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 . . 50950 1 2 $software_2 . . 50950 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 78 78 PRO C C 13 174.91 0.3 . 1 . . . . . 78 PRO C . 50950 1 2 . 1 . 1 78 78 PRO CA C 13 62.81 0.3 . 1 . . . . . 78 PRO CA . 50950 1 3 . 1 . 1 78 78 PRO CB C 13 32.11 0.3 . 1 . . . . . 78 PRO CB . 50950 1 4 . 1 . 1 78 78 PRO CG C 13 27.162 0.3 . 1 . . . . . 78 PRO CG . 50950 1 5 . 1 . 1 78 78 PRO CD C 13 49.779 0.3 . 1 . . . . . 78 PRO CD . 50950 1 6 . 1 . 1 79 79 VAL C C 13 173.71 0.3 . 1 . . . . . 79 VAL C . 50950 1 7 . 1 . 1 79 79 VAL CA C 13 61.304 0.3 . 1 . . . . . 79 VAL CA . 50950 1 8 . 1 . 1 79 79 VAL CB C 13 34.609 0.3 . 1 . . . . . 79 VAL CB . 50950 1 9 . 1 . 1 79 79 VAL CG1 C 13 19.503 0.3 . 1 . . . . . 79 VAL CG1 . 50950 1 10 . 1 . 1 79 79 VAL CG2 C 13 20.686 0.3 . 1 . . . . . 79 VAL CG2 . 50950 1 11 . 1 . 1 79 79 VAL N N 15 119.049 0.3 . 1 . . . . . 79 VAL N . 50950 1 12 . 1 . 1 80 80 ASP C C 13 174.33 0.3 . 1 . . . . . 80 ASP C . 50950 1 13 . 1 . 1 80 80 ASP CA C 13 52.586 0.3 . 1 . . . . . 80 ASP CA . 50950 1 14 . 1 . 1 80 80 ASP CB C 13 43.368 0.3 . 1 . . . . . 80 ASP CB . 50950 1 15 . 1 . 1 80 80 ASP CG C 13 180.62 0.3 . 1 . . . . . 80 ASP CG . 50950 1 16 . 1 . 1 80 80 ASP N N 15 126.899 0.3 . 1 . . . . . 80 ASP N . 50950 1 17 . 1 . 1 81 81 GLN C C 13 174.57 0.3 . 1 . . . . . 81 GLN C . 50950 1 18 . 1 . 1 81 81 GLN CA C 13 54.743 0.3 . 1 . . . . . 81 GLN CA . 50950 1 19 . 1 . 1 81 81 GLN CB C 13 33.344 0.3 . 1 . . . . . 81 GLN CB . 50950 1 20 . 1 . 1 81 81 GLN CD C 13 177.869 0.3 . 1 . . . . . 81 GLN CD . 50950 1 21 . 1 . 1 81 81 GLN N N 15 118.475 0.3 . 1 . . . . . 81 GLN N . 50950 1 22 . 1 . 1 81 81 GLN NE2 N 15 104.5 0.3 . 1 . . . . . 81 GLN NE2 . 50950 1 23 . 1 . 1 82 82 TYR C C 13 173.74 0.3 . 1 . . . . . 82 TYR C . 50950 1 24 . 1 . 1 82 82 TYR CA C 13 56.523 0.3 . 1 . . . . . 82 TYR CA . 50950 1 25 . 1 . 1 82 82 TYR CB C 13 41.578 0.3 . 1 . . . . . 82 TYR CB . 50950 1 26 . 1 . 1 82 82 TYR CG C 13 128.314 0.3 . 1 . . . . . 82 TYR CG . 50950 1 27 . 1 . 1 82 82 TYR CD1 C 13 132.814 0.3 . 1 . . . . . 82 TYR CD1 . 50950 1 28 . 1 . 1 82 82 TYR CE1 C 13 117.706 0.3 . 1 . . . . . 82 TYR CE1 . 50950 1 29 . 1 . 1 82 82 TYR CZ C 13 156.245 0.3 . 1 . . . . . 82 TYR CZ . 50950 1 30 . 1 . 1 82 82 TYR N N 15 125.11 0.3 . 1 . . . . . 82 TYR N . 50950 1 31 . 1 . 1 83 83 SER C C 13 171.78 0.3 . 1 . . . . . 83 SER C . 50950 1 32 . 1 . 1 83 83 SER CA C 13 56.523 0.3 . 1 . . . . . 83 SER CA . 50950 1 33 . 1 . 1 83 83 SER CB C 13 64.407 0.3 . 1 . . . . . 83 SER CB . 50950 1 34 . 1 . 1 83 83 SER N N 15 123.956 0.3 . 1 . . . . . 83 SER N . 50950 1 35 . 1 . 1 84 84 ASN C C 13 176.13 0.3 . 1 . . . . . 84 ASN C . 50950 1 36 . 1 . 1 84 84 ASN CA C 13 51.669 0.3 . 1 . . . . . 84 ASN CA . 50950 1 37 . 1 . 1 84 84 ASN CB C 13 42.559 0.3 . 1 . . . . . 84 ASN CB . 50950 1 38 . 1 . 1 84 84 ASN CG C 13 176.01 0.3 . 1 . . . . . 84 ASN CG . 50950 1 39 . 1 . 1 84 84 ASN N N 15 119.172 0.3 . 1 . . . . . 84 ASN N . 50950 1 40 . 1 . 1 84 84 ASN ND2 N 15 110.58 0.3 . 1 . . . . . 84 ASN ND2 . 50950 1 41 . 1 . 1 85 85 GLN C C 13 173.4 0.3 . 1 . . . . . 85 GLN C . 50950 1 42 . 1 . 1 85 85 GLN CA C 13 54.943 0.3 . 1 . . . . . 85 GLN CA . 50950 1 43 . 1 . 1 85 85 GLN CB C 13 32.833 0.3 . 1 . . . . . 85 GLN CB . 50950 1 44 . 1 . 1 85 85 GLN CG C 13 33.945 0.3 . 1 . . . . . 85 GLN CG . 50950 1 45 . 1 . 1 85 85 GLN CD C 13 178.751 0.3 . 1 . . . . . 85 GLN CD . 50950 1 46 . 1 . 1 85 85 GLN N N 15 126.257 0.3 . 1 . . . . . 85 GLN N . 50950 1 47 . 1 . 1 85 85 GLN NE2 N 15 111.37 0.3 . 1 . . . . . 85 GLN NE2 . 50950 1 48 . 1 . 1 86 86 ASN C C 13 172.37 0.3 . 1 . . . . . 86 ASN C . 50950 1 49 . 1 . 1 86 86 ASN CA C 13 52.316 0.3 . 1 . . . . . 86 ASN CA . 50950 1 50 . 1 . 1 86 86 ASN CB C 13 41.229 0.3 . 1 . . . . . 86 ASN CB . 50950 1 51 . 1 . 1 86 86 ASN CG C 13 173.98 0.3 . 1 . . . . . 86 ASN CG . 50950 1 52 . 1 . 1 86 86 ASN N N 15 123.548 0.3 . 1 . . . . . 86 ASN N . 50950 1 53 . 1 . 1 86 86 ASN ND2 N 15 113 0.3 . 1 . . . . . 86 ASN ND2 . 50950 1 54 . 1 . 1 87 87 ASN C C 13 173.36 0.3 . 1 . . . . . 87 ASN C . 50950 1 55 . 1 . 1 87 87 ASN CA C 13 51.062 0.3 . 1 . . . . . 87 ASN CA . 50950 1 56 . 1 . 1 87 87 ASN CB C 13 38.27 0.3 . 1 . . . . . 87 ASN CB . 50950 1 57 . 1 . 1 87 87 ASN CG C 13 175.11 0.3 . 1 . . . . . 87 ASN CG . 50950 1 58 . 1 . 1 87 87 ASN N N 15 125.933 0.3 . 1 . . . . . 87 ASN N . 50950 1 59 . 1 . 1 87 87 ASN ND2 N 15 114.06 0.3 . 1 . . . . . 87 ASN ND2 . 50950 1 60 . 1 . 1 88 88 PHE C C 13 173.57 0.3 . 1 . . . . . 88 PHE C . 50950 1 61 . 1 . 1 88 88 PHE CA C 13 54.339 0.3 . 1 . . . . . 88 PHE CA . 50950 1 62 . 1 . 1 88 88 PHE CB C 13 39.647 0.3 . 1 . . . . . 88 PHE CB . 50950 1 63 . 1 . 1 88 88 PHE N N 15 110.854 0.3 . 1 . . . . . 88 PHE N . 50950 1 64 . 1 . 1 89 89 VAL C C 13 175.94 0.3 . 1 . . . . . 89 VAL C . 50950 1 65 . 1 . 1 89 89 VAL CA C 13 59.436 0.3 . 1 . . . . . 89 VAL CA . 50950 1 66 . 1 . 1 89 89 VAL CB C 13 36.716 0.3 . 1 . . . . . 89 VAL CB . 50950 1 67 . 1 . 1 89 89 VAL CG1 C 13 21.903 0.3 . 1 . . . . . 89 VAL CG1 . 50950 1 68 . 1 . 1 89 89 VAL CG2 C 13 23.191 0.3 . 1 . . . . . 89 VAL CG2 . 50950 1 69 . 1 . 1 89 89 VAL N N 15 113.643 0.3 . 1 . . . . . 89 VAL N . 50950 1 70 . 1 . 1 90 90 HIS C C 13 174.3 0.3 . 1 . . . . . 90 HIS C . 50950 1 71 . 1 . 1 90 90 HIS CA C 13 54.501 0.3 . 1 . . . . . 90 HIS CA . 50950 1 72 . 1 . 1 90 90 HIS CB C 13 30.143 0.3 . 1 . . . . . 90 HIS CB . 50950 1 73 . 1 . 1 90 90 HIS CG C 13 129.771 0.3 . 1 . . . . . 90 HIS CG . 50950 1 74 . 1 . 1 90 90 HIS CD2 C 13 120.667 0.3 . 1 . . . . . 90 HIS CD2 . 50950 1 75 . 1 . 1 90 90 HIS N N 15 113.426 0.3 . 1 . . . . . 90 HIS N . 50950 1 76 . 1 . 1 91 91 ASP C C 13 174.36 0.3 . 1 . . . . . 91 ASP C . 50950 1 77 . 1 . 1 91 91 ASP CA C 13 56.766 0.3 . 1 . . . . . 91 ASP CA . 50950 1 78 . 1 . 1 91 91 ASP CB C 13 38.653 0.3 . 1 . . . . . 91 ASP CB . 50950 1 79 . 1 . 1 91 91 ASP CG C 13 182.048 0.3 . 1 . . . . . 91 ASP CG . 50950 1 80 . 1 . 1 91 91 ASP N N 15 108.907 0.3 . 1 . . . . . 91 ASP N . 50950 1 81 . 1 . 1 92 92 CYS C C 13 172.3 0.3 . 1 . . . . . 92 CYS C . 50950 1 82 . 1 . 1 92 92 CYS CA C 13 56.847 0.3 . 1 . . . . . 92 CYS CA . 50950 1 83 . 1 . 1 92 92 CYS CB C 13 48.474 0.3 . 1 . . . . . 92 CYS CB . 50950 1 84 . 1 . 1 92 92 CYS N N 15 109.637 0.3 . 1 . . . . . 92 CYS N . 50950 1 85 . 1 . 1 93 93 VAL C C 13 171.72 0.3 . 1 . . . . . 93 VAL C . 50950 1 86 . 1 . 1 93 93 VAL CA C 13 60.974 0.3 . 1 . . . . . 93 VAL CA . 50950 1 87 . 1 . 1 93 93 VAL CB C 13 35.517 0.3 . 1 . . . . . 93 VAL CB . 50950 1 88 . 1 . 1 93 93 VAL CG1 C 13 20.222 0.3 . 1 . . . . . 93 VAL CG1 . 50950 1 89 . 1 . 1 93 93 VAL CG2 C 13 20.222 0.3 . 1 . . . . . 93 VAL CG2 . 50950 1 90 . 1 . 1 93 93 VAL N N 15 120.254 0.3 . 1 . . . . . 93 VAL N . 50950 1 91 . 1 . 1 94 94 ASN CA C 13 52.567 0.3 . 1 . . . . . 94 ASN CA . 50950 1 92 . 1 . 1 94 94 ASN CB C 13 42.539 0.3 . 1 . . . . . 94 ASN CB . 50950 1 93 . 1 . 1 94 94 ASN N N 15 119.001 0.3 . 1 . . . . . 94 ASN N . 50950 1 94 . 1 . 1 95 95 ILE CA C 13 59.641 0.3 . 1 . . . . . 95 ILE CA . 50950 1 95 . 1 . 1 95 95 ILE CB C 13 40.768 0.3 . 1 . . . . . 95 ILE CB . 50950 1 96 . 1 . 1 95 95 ILE CG2 C 13 16.495 0.3 . 1 . . . . . 95 ILE CG2 . 50950 1 97 . 1 . 1 95 95 ILE CD1 C 13 15.227 0.3 . 1 . . . . . 95 ILE CD1 . 50950 1 98 . 1 . 1 97 97 ILE C C 13 174.71 0.3 . 1 . . . . . 97 ILE C . 50950 1 99 . 1 . 1 97 97 ILE CA C 13 59.552 0.3 . 1 . . . . . 97 ILE CA . 50950 1 100 . 1 . 1 97 97 ILE CB C 13 41.717 0.3 . 1 . . . . . 97 ILE CB . 50950 1 101 . 1 . 1 97 97 ILE CG2 C 13 17.116 0.3 . 1 . . . . . 97 ILE CG2 . 50950 1 102 . 1 . 1 97 97 ILE CD1 C 13 15.21 0.3 . 1 . . . . . 97 ILE CD1 . 50950 1 103 . 1 . 1 98 98 LYS CA C 13 53.582 0.3 . 1 . . . . . 98 LYS CA . 50950 1 104 . 1 . 1 98 98 LYS CB C 13 34.71 0.3 . 1 . . . . . 98 LYS CB . 50950 1 105 . 1 . 1 98 98 LYS CG C 13 26.15 0.3 . 1 . . . . . 98 LYS CG . 50950 1 106 . 1 . 1 98 98 LYS CD C 13 28.962 0.3 . 1 . . . . . 98 LYS CD . 50950 1 107 . 1 . 1 98 98 LYS CE C 13 41.64 0.3 . 1 . . . . . 98 LYS CE . 50950 1 108 . 1 . 1 98 98 LYS N N 15 121.552 0.3 . 1 . . . . . 98 LYS N . 50950 1 109 . 1 . 1 99 99 GLN C C 13 173.73 0.3 . 1 . . . . . 99 GLN C . 50950 1 110 . 1 . 1 99 99 GLN CA C 13 54.61 0.3 . 1 . . . . . 99 GLN CA . 50950 1 111 . 1 . 1 99 99 GLN CB C 13 34.91 0.3 . 1 . . . . . 99 GLN CB . 50950 1 112 . 1 . 1 99 99 GLN CG C 13 34.06 0.3 . 1 . . . . . 99 GLN CG . 50950 1 113 . 1 . 1 99 99 GLN CD C 13 178.376 0.3 . 1 . . . . . 99 GLN CD . 50950 1 114 . 1 . 1 100 100 HIS CA C 13 54.31 0.3 . 1 . . . . . 100 HIS CA . 50950 1 115 . 1 . 1 100 100 HIS CB C 13 31.91 0.3 . 1 . . . . . 100 HIS CB . 50950 1 116 . 1 . 1 100 100 HIS CG C 13 135.854 0.3 . 1 . . . . . 100 HIS CG . 50950 1 117 . 1 . 1 100 100 HIS CD2 C 13 116.816 0.3 . 1 . . . . . 100 HIS CD2 . 50950 1 118 . 1 . 1 100 100 HIS CE1 C 13 137.594 0.3 . 1 . . . . . 100 HIS CE1 . 50950 1 119 . 1 . 1 100 100 HIS N N 15 127.09 0.3 . 1 . . . . . 100 HIS N . 50950 1 120 . 1 . 1 102 102 VAL CA C 13 60.812 0.3 . 1 . . . . . 102 VAL CA . 50950 1 121 . 1 . 1 102 102 VAL CB C 13 34.037 0.3 . 1 . . . . . 102 VAL CB . 50950 1 122 . 1 . 1 102 102 VAL CG1 C 13 19.781 0.3 . 1 . . . . . 102 VAL CG1 . 50950 1 123 . 1 . 1 102 102 VAL CG2 C 13 20.124 0.3 . 1 . . . . . 102 VAL CG2 . 50950 1 124 . 1 . 1 102 102 VAL N N 15 128.572 0.3 . 1 . . . . . 102 VAL N . 50950 1 125 . 1 . 1 104 104 THR CA C 13 61.11 0.3 . 1 . . . . . 104 THR CA . 50950 1 126 . 1 . 1 104 104 THR CB C 13 69.81 0.3 . 1 . . . . . 104 THR CB . 50950 1 127 . 1 . 1 107 107 LYS C C 13 173.64 0.3 . 1 . . . . . 107 LYS C . 50950 1 128 . 1 . 1 107 107 LYS CA C 13 53.996 0.3 . 1 . . . . . 107 LYS CA . 50950 1 129 . 1 . 1 107 107 LYS CB C 13 35.063 0.3 . 1 . . . . . 107 LYS CB . 50950 1 130 . 1 . 1 107 107 LYS CG C 13 25.167 0.3 . 1 . . . . . 107 LYS CG . 50950 1 131 . 1 . 1 107 107 LYS CD C 13 29.218 0.3 . 1 . . . . . 107 LYS CD . 50950 1 132 . 1 . 1 107 107 LYS CE C 13 41.922 0.3 . 1 . . . . . 107 LYS CE . 50950 1 133 . 1 . 1 107 107 LYS N N 15 125.125 0.3 . 1 . . . . . 107 LYS N . 50950 1 134 . 1 . 1 108 108 GLY C C 13 173.37 0.3 . 1 . . . . . 108 GLY C . 50950 1 135 . 1 . 1 108 108 GLY CA C 13 44.46 0.3 . 1 . . . . . 108 GLY CA . 50950 1 136 . 1 . 1 108 108 GLY N N 15 110.088 0.3 . 1 . . . . . 108 GLY N . 50950 1 137 . 1 . 1 109 109 GLU CA C 13 53.917 0.3 . 1 . . . . . 109 GLU CA . 50950 1 138 . 1 . 1 109 109 GLU CB C 13 26.932 0.3 . 1 . . . . . 109 GLU CB . 50950 1 139 . 1 . 1 109 109 GLU CD C 13 177.412 0.3 . 1 . . . . . 109 GLU CD . 50950 1 140 . 1 . 1 109 109 GLU N N 15 116.581 0.3 . 1 . . . . . 109 GLU N . 50950 1 141 . 1 . 1 115 115 ASP C C 13 173.61 0.3 . 1 . . . . . 115 ASP C . 50950 1 142 . 1 . 1 115 115 ASP CA C 13 52.501 0.3 . 1 . . . . . 115 ASP CA . 50950 1 143 . 1 . 1 115 115 ASP CB C 13 42.405 0.3 . 1 . . . . . 115 ASP CB . 50950 1 144 . 1 . 1 115 115 ASP CG C 13 179.71 0.3 . 1 . . . . . 115 ASP CG . 50950 1 145 . 1 . 1 115 115 ASP N N 15 125.933 0.3 . 1 . . . . . 115 ASP N . 50950 1 146 . 1 . 1 116 116 VAL C C 13 174.84 0.3 . 1 . . . . . 116 VAL C . 50950 1 147 . 1 . 1 116 116 VAL CA C 13 60.974 0.3 . 1 . . . . . 116 VAL CA . 50950 1 148 . 1 . 1 116 116 VAL CB C 13 34.962 0.3 . 1 . . . . . 116 VAL CB . 50950 1 149 . 1 . 1 116 116 VAL CG1 C 13 19.12 0.3 . 1 . . . . . 116 VAL CG1 . 50950 1 150 . 1 . 1 116 116 VAL CG2 C 13 20.587 0.3 . 1 . . . . . 116 VAL CG2 . 50950 1 151 . 1 . 1 116 116 VAL N N 15 122.49 0.3 . 1 . . . . . 116 VAL N . 50950 1 152 . 1 . 1 117 117 LYS C C 13 173.84 0.3 . 1 . . . . . 117 LYS C . 50950 1 153 . 1 . 1 117 117 LYS CA C 13 54.662 0.3 . 1 . . . . . 117 LYS CA . 50950 1 154 . 1 . 1 117 117 LYS CB C 13 36.011 0.3 . 1 . . . . . 117 LYS CB . 50950 1 155 . 1 . 1 117 117 LYS CG C 13 25.368 0.3 . 1 . . . . . 117 LYS CG . 50950 1 156 . 1 . 1 117 117 LYS CD C 13 29.552 0.3 . 1 . . . . . 117 LYS CD . 50950 1 157 . 1 . 1 117 117 LYS CE C 13 41.925 0.3 . 1 . . . . . 117 LYS CE . 50950 1 158 . 1 . 1 117 117 LYS N N 15 126.553 0.3 . 1 . . . . . 117 LYS N . 50950 1 159 . 1 . 1 118 118 MET C C 13 174.05 0.3 . 1 . . . . . 118 MET C . 50950 1 160 . 1 . 1 118 118 MET CA C 13 54.272 0.3 . 1 . . . . . 118 MET CA . 50950 1 161 . 1 . 1 118 118 MET CB C 13 36.997 0.3 . 1 . . . . . 118 MET CB . 50950 1 162 . 1 . 1 118 118 MET CG C 13 29.751 0.3 . 1 . . . . . 118 MET CG . 50950 1 163 . 1 . 1 118 118 MET N N 15 122.37 0.3 . 1 . . . . . 118 MET N . 50950 1 164 . 1 . 1 119 119 MET CA C 13 54.177 0.3 . 1 . . . . . 119 MET CA . 50950 1 165 . 1 . 1 119 119 MET CB C 13 35.918 0.3 . 1 . . . . . 119 MET CB . 50950 1 166 . 1 . 1 119 119 MET CG C 13 31.928 0.3 . 1 . . . . . 119 MET CG . 50950 1 167 . 1 . 1 119 119 MET N N 15 120.326 0.3 . 1 . . . . . 119 MET N . 50950 1 168 . 1 . 1 120 120 GLU CA C 13 54.272 0.3 . 1 . . . . . 120 GLU CA . 50950 1 169 . 1 . 1 120 120 GLU CB C 13 32.242 0.3 . 1 . . . . . 120 GLU CB . 50950 1 170 . 1 . 1 120 120 GLU CG C 13 34.251 0.3 . 1 . . . . . 120 GLU CG . 50950 1 171 . 1 . 1 122 122 VAL C C 13 174.74 0.3 . 1 . . . . . 122 VAL C . 50950 1 172 . 1 . 1 122 122 VAL CA C 13 60.569 0.3 . 1 . . . . . 122 VAL CA . 50950 1 173 . 1 . 1 122 122 VAL CB C 13 36.487 0.3 . 1 . . . . . 122 VAL CB . 50950 1 174 . 1 . 1 122 122 VAL CG1 C 13 20.37 0.3 . 1 . . . . . 122 VAL CG1 . 50950 1 175 . 1 . 1 122 122 VAL CG2 C 13 20.37 0.3 . 1 . . . . . 122 VAL CG2 . 50950 1 176 . 1 . 1 122 122 VAL N N 15 123.716 0.3 . 1 . . . . . 122 VAL N . 50950 1 177 . 1 . 1 123 123 VAL C C 13 173.66 0.3 . 1 . . . . . 123 VAL C . 50950 1 178 . 1 . 1 123 123 VAL CA C 13 61.135 0.3 . 1 . . . . . 123 VAL CA . 50950 1 179 . 1 . 1 123 123 VAL CB C 13 33.483 0.3 . 1 . . . . . 123 VAL CB . 50950 1 180 . 1 . 1 123 123 VAL CG1 C 13 20.587 0.3 . 1 . . . . . 123 VAL CG1 . 50950 1 181 . 1 . 1 123 123 VAL CG2 C 13 20.587 0.3 . 1 . . . . . 123 VAL CG2 . 50950 1 182 . 1 . 1 123 123 VAL N N 15 126.841 0.3 . 1 . . . . . 123 VAL N . 50950 1 183 . 1 . 1 124 124 GLU CA C 13 53.855 0.3 . 1 . . . . . 124 GLU CA . 50950 1 184 . 1 . 1 124 124 GLU CB C 13 31.97 0.3 . 1 . . . . . 124 GLU CB . 50950 1 185 . 1 . 1 124 124 GLU N N 15 124.272 0.3 . 1 . . . . . 124 GLU N . 50950 1 186 . 1 . 1 125 125 GLN C C 13 173.41 0.3 . 1 . . . . . 125 GLN C . 50950 1 187 . 1 . 1 125 125 GLN CA C 13 54.56 0.3 . 1 . . . . . 125 GLN CA . 50950 1 188 . 1 . 1 125 125 GLN CB C 13 36.19 0.3 . 1 . . . . . 125 GLN CB . 50950 1 189 . 1 . 1 126 126 MET C C 13 174.66 0.3 . 1 . . . . . 126 MET C . 50950 1 190 . 1 . 1 126 126 MET CA C 13 52.907 0.3 . 1 . . . . . 126 MET CA . 50950 1 191 . 1 . 1 126 126 MET CB C 13 34.289 0.3 . 1 . . . . . 126 MET CB . 50950 1 192 . 1 . 1 126 126 MET N N 15 122.193 0.3 . 1 . . . . . 126 MET N . 50950 1 193 . 1 . 1 127 127 CYS C C 13 171.41 0.3 . 1 . . . . . 127 CYS C . 50950 1 194 . 1 . 1 127 127 CYS CA C 13 56.25 0.3 . 1 . . . . . 127 CYS CA . 50950 1 195 . 1 . 1 127 127 CYS CB C 13 41.69 0.3 . 1 . . . . . 127 CYS CB . 50950 1 196 . 1 . 1 127 127 CYS N N 15 118.491 0.3 . 1 . . . . . 127 CYS N . 50950 1 197 . 1 . 1 128 128 VAL CA C 13 59.355 0.3 . 1 . . . . . 128 VAL CA . 50950 1 198 . 1 . 1 128 128 VAL CB C 13 35.103 0.3 . 1 . . . . . 128 VAL CB . 50950 1 199 . 1 . 1 128 128 VAL CG1 C 13 19.088 0.3 . 1 . . . . . 128 VAL CG1 . 50950 1 200 . 1 . 1 128 128 VAL CG2 C 13 21.748 0.3 . 1 . . . . . 128 VAL CG2 . 50950 1 201 . 1 . 1 128 128 VAL N N 15 117.898 0.3 . 1 . . . . . 128 VAL N . 50950 1 202 . 1 . 1 130 130 GLN C C 13 175.57 0.3 . 1 . . . . . 130 GLN C . 50950 1 203 . 1 . 1 130 130 GLN CA C 13 53.934 0.3 . 1 . . . . . 130 GLN CA . 50950 1 204 . 1 . 1 130 130 GLN CB C 13 30.647 0.3 . 1 . . . . . 130 GLN CB . 50950 1 205 . 1 . 1 130 130 GLN CD C 13 177.988 0.3 . 1 . . . . . 130 GLN CD . 50950 1 206 . 1 . 1 130 130 GLN N N 15 117.465 0.3 . 1 . . . . . 130 GLN N . 50950 1 207 . 1 . 1 130 130 GLN NE2 N 15 106.77 0.3 . 1 . . . . . 130 GLN NE2 . 50950 1 208 . 1 . 1 131 131 TYR C C 13 174.05 0.3 . 1 . . . . . 131 TYR C . 50950 1 209 . 1 . 1 131 131 TYR CA C 13 61.434 0.3 . 1 . . . . . 131 TYR CA . 50950 1 210 . 1 . 1 131 131 TYR CB C 13 35.739 0.3 . 1 . . . . . 131 TYR CB . 50950 1 211 . 1 . 1 131 131 TYR N N 15 105.036 0.3 . 1 . . . . . 131 TYR N . 50950 1 212 . 1 . 1 132 132 GLN C C 13 175.46 0.3 . 1 . . . . . 132 GLN C . 50950 1 213 . 1 . 1 132 132 GLN CA C 13 60.003 0.3 . 1 . . . . . 132 GLN CA . 50950 1 214 . 1 . 1 132 132 GLN CB C 13 27.019 0.3 . 1 . . . . . 132 GLN CB . 50950 1 215 . 1 . 1 132 132 GLN CG C 13 35.936 0.3 . 1 . . . . . 132 GLN CG . 50950 1 216 . 1 . 1 132 132 GLN CD C 13 179.24 0.3 . 1 . . . . . 132 GLN CD . 50950 1 217 . 1 . 1 132 132 GLN N N 15 118.571 0.3 . 1 . . . . . 132 GLN N . 50950 1 218 . 1 . 1 132 132 GLN NE2 N 15 106.63 0.3 . 1 . . . . . 132 GLN NE2 . 50950 1 219 . 1 . 1 133 133 LYS C C 13 174.53 0.3 . 1 . . . . . 133 LYS C . 50950 1 220 . 1 . 1 133 133 LYS CA C 13 54.581 0.3 . 1 . . . . . 133 LYS CA . 50950 1 221 . 1 . 1 133 133 LYS CB C 13 36.931 0.3 . 1 . . . . . 133 LYS CB . 50950 1 222 . 1 . 1 133 133 LYS CG C 13 25.268 0.3 . 1 . . . . . 133 LYS CG . 50950 1 223 . 1 . 1 133 133 LYS CD C 13 29.484 0.3 . 1 . . . . . 133 LYS CD . 50950 1 224 . 1 . 1 133 133 LYS CE C 13 41.979 0.3 . 1 . . . . . 133 LYS CE . 50950 1 225 . 1 . 1 133 133 LYS N N 15 116.383 0.3 . 1 . . . . . 133 LYS N . 50950 1 226 . 1 . 1 134 134 GLU C C 13 174.19 0.3 . 1 . . . . . 134 GLU C . 50950 1 227 . 1 . 1 134 134 GLU CA C 13 54.096 0.3 . 1 . . . . . 134 GLU CA . 50950 1 228 . 1 . 1 134 134 GLU CB C 13 32.018 0.3 . 1 . . . . . 134 GLU CB . 50950 1 229 . 1 . 1 134 134 GLU CD C 13 178.679 0.3 . 1 . . . . . 134 GLU CD . 50950 1 230 . 1 . 1 134 134 GLU N N 15 124.485 0.3 . 1 . . . . . 134 GLU N . 50950 1 231 . 1 . 1 135 135 SER C C 13 172.66 0.3 . 1 . . . . . 135 SER C . 50950 1 232 . 1 . 1 135 135 SER CA C 13 56.685 0.3 . 1 . . . . . 135 SER CA . 50950 1 233 . 1 . 1 135 135 SER CB C 13 66.121 0.3 . 1 . . . . . 135 SER CB . 50950 1 234 . 1 . 1 135 135 SER N N 15 118.571 0.3 . 1 . . . . . 135 SER N . 50950 1 235 . 1 . 1 136 136 GLN C C 13 175.22 0.3 . 1 . . . . . 136 GLN C . 50950 1 236 . 1 . 1 136 136 GLN CA C 13 55.083 0.3 . 1 . . . . . 136 GLN CA . 50950 1 237 . 1 . 1 136 136 GLN CB C 13 34.627 0.3 . 1 . . . . . 136 GLN CB . 50950 1 238 . 1 . 1 136 136 GLN CD C 13 178.31 0.3 . 1 . . . . . 136 GLN CD . 50950 1 239 . 1 . 1 136 136 GLN N N 15 124.197 0.3 . 1 . . . . . 136 GLN N . 50950 1 240 . 1 . 1 136 136 GLN NE2 N 15 107.54 0.3 . 1 . . . . . 136 GLN NE2 . 50950 1 241 . 1 . 1 137 137 ALA CA C 13 51.102 0.3 . 1 . . . . . 137 ALA CA . 50950 1 242 . 1 . 1 137 137 ALA CB C 13 23.772 0.3 . 1 . . . . . 137 ALA CB . 50950 1 243 . 1 . 1 137 137 ALA N N 15 126.601 0.3 . 1 . . . . . 137 ALA N . 50950 1 stop_ save_