################################### # 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 50951 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name G2 _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' . . . 50951 1 2 '3D NCOCX' . . . 50951 1 3 CANCO . . . 50951 1 4 CONCA . . . 50951 1 5 DARR . . . 50951 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 . . 50951 1 2 $software_2 . . 50951 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 13 175.11 0.3 . 1 . . . . . 78 PRO C . 50951 1 2 . 1 . 1 78 78 PRO CA C 13 63.313 0.3 . 1 . . . . . 78 PRO CA . 50951 1 3 . 1 . 1 78 78 PRO CB C 13 32.51 0.3 . 1 . . . . . 78 PRO CB . 50951 1 4 . 1 . 1 78 78 PRO CG C 13 27.373 0.3 . 1 . . . . . 78 PRO CG . 50951 1 5 . 1 . 1 78 78 PRO CD C 13 50.248 0.3 . 1 . . . . . 78 PRO CD . 50951 1 6 . 1 . 1 78 78 PRO N N 15 132.686 0.3 . 1 . . . . . 78 PRO N . 50951 1 7 . 1 . 1 79 79 VAL C C 13 173.9 0.3 . 1 . . . . . 79 VAL C . 50951 1 8 . 1 . 1 79 79 VAL CA C 13 61.58 0.3 . 1 . . . . . 79 VAL CA . 50951 1 9 . 1 . 1 79 79 VAL CB C 13 35.415 0.3 . 1 . . . . . 79 VAL CB . 50951 1 10 . 1 . 1 79 79 VAL CG1 C 13 21.336 0.3 . 1 . . . . . 79 VAL CG1 . 50951 1 11 . 1 . 1 79 79 VAL CG2 C 13 20.439 0.3 . 1 . . . . . 79 VAL CG2 . 50951 1 12 . 1 . 1 79 79 VAL N N 15 119.37 0.3 . 1 . . . . . 79 VAL N . 50951 1 13 . 1 . 1 80 80 ASP C C 13 174.39 0.3 . 1 . . . . . 80 ASP C . 50951 1 14 . 1 . 1 80 80 ASP CA C 13 53.035 0.3 . 1 . . . . . 80 ASP CA . 50951 1 15 . 1 . 1 80 80 ASP CB C 13 43.871 0.3 . 1 . . . . . 80 ASP CB . 50951 1 16 . 1 . 1 80 80 ASP N N 15 127.6 0.3 . 1 . . . . . 80 ASP N . 50951 1 17 . 1 . 1 81 81 GLN C C 13 174.75 0.3 . 1 . . . . . 81 GLN C . 50951 1 18 . 1 . 1 81 81 GLN CA C 13 54.962 0.3 . 1 . . . . . 81 GLN CA . 50951 1 19 . 1 . 1 81 81 GLN CB C 13 33.728 0.3 . 1 . . . . . 81 GLN CB . 50951 1 20 . 1 . 1 81 81 GLN CG C 13 34.126 0.3 . 1 . . . . . 81 GLN CG . 50951 1 21 . 1 . 1 81 81 GLN CD C 13 178.032 0.3 . 1 . . . . . 81 GLN CD . 50951 1 22 . 1 . 1 81 81 GLN N N 15 118.439 0.3 . 1 . . . . . 81 GLN N . 50951 1 23 . 1 . 1 81 81 GLN NE2 N 15 105.684 0.3 . 1 . . . . . 81 GLN NE2 . 50951 1 24 . 1 . 1 82 82 TYR C C 13 173.92 0.3 . 1 . . . . . 82 TYR C . 50951 1 25 . 1 . 1 82 82 TYR CA C 13 56.801 0.3 . 1 . . . . . 82 TYR CA . 50951 1 26 . 1 . 1 82 82 TYR CB C 13 41.416 0.3 . 1 . . . . . 82 TYR CB . 50951 1 27 . 1 . 1 82 82 TYR CG C 13 129.562 0.3 . 1 . . . . . 82 TYR CG . 50951 1 28 . 1 . 1 82 82 TYR CD1 C 13 133.42 0.3 . 1 . . . . . 82 TYR CD1 . 50951 1 29 . 1 . 1 82 82 TYR CE1 C 13 118.683 0.3 . 1 . . . . . 82 TYR CE1 . 50951 1 30 . 1 . 1 82 82 TYR CZ C 13 156.769 0.3 . 1 . . . . . 82 TYR CZ . 50951 1 31 . 1 . 1 82 82 TYR N N 15 125.271 0.3 . 1 . . . . . 82 TYR N . 50951 1 32 . 1 . 1 83 83 SER C C 13 171.89 0.3 . 1 . . . . . 83 SER C . 50951 1 33 . 1 . 1 83 83 SER CA C 13 56.728 0.3 . 1 . . . . . 83 SER CA . 50951 1 34 . 1 . 1 83 83 SER CB C 13 64.884 0.3 . 1 . . . . . 83 SER CB . 50951 1 35 . 1 . 1 83 83 SER N N 15 124.223 0.3 . 1 . . . . . 83 SER N . 50951 1 36 . 1 . 1 84 84 ASN C C 13 176.42 0.3 . 1 . . . . . 84 ASN C . 50951 1 37 . 1 . 1 84 84 ASN CA C 13 52.673 0.3 . 1 . . . . . 84 ASN CA . 50951 1 38 . 1 . 1 84 84 ASN CB C 13 43.104 0.3 . 1 . . . . . 84 ASN CB . 50951 1 39 . 1 . 1 84 84 ASN CG C 13 176.206 0.3 . 1 . . . . . 84 ASN CG . 50951 1 40 . 1 . 1 84 84 ASN N N 15 119.642 0.3 . 1 . . . . . 84 ASN N . 50951 1 41 . 1 . 1 84 84 ASN ND2 N 15 111.157 0.3 . 1 . . . . . 84 ASN ND2 . 50951 1 42 . 1 . 1 85 85 GLN C C 13 173.44 0.3 . 1 . . . . . 85 GLN C . 50951 1 43 . 1 . 1 85 85 GLN CA C 13 55.352 0.3 . 1 . . . . . 85 GLN CA . 50951 1 44 . 1 . 1 85 85 GLN CB C 13 33.273 0.3 . 1 . . . . . 85 GLN CB . 50951 1 45 . 1 . 1 85 85 GLN CG C 13 34.276 0.3 . 1 . . . . . 85 GLN CG . 50951 1 46 . 1 . 1 85 85 GLN CD C 13 178.964 0.3 . 1 . . . . . 85 GLN CD . 50951 1 47 . 1 . 1 85 85 GLN N N 15 126.901 0.3 . 1 . . . . . 85 GLN N . 50951 1 48 . 1 . 1 85 85 GLN NE2 N 15 112.203 0.3 . 1 . . . . . 85 GLN NE2 . 50951 1 49 . 1 . 1 86 86 ASN C C 13 172.47 0.3 . 1 . . . . . 86 ASN C . 50951 1 50 . 1 . 1 86 86 ASN CA C 13 52.565 0.3 . 1 . . . . . 86 ASN CA . 50951 1 51 . 1 . 1 86 86 ASN CB C 13 41.434 0.3 . 1 . . . . . 86 ASN CB . 50951 1 52 . 1 . 1 86 86 ASN CG C 13 174.154 0.3 . 1 . . . . . 86 ASN CG . 50951 1 53 . 1 . 1 86 86 ASN N N 15 124.145 0.3 . 1 . . . . . 86 ASN N . 50951 1 54 . 1 . 1 86 86 ASN ND2 N 15 113.182 0.3 . 1 . . . . . 86 ASN ND2 . 50951 1 55 . 1 . 1 87 87 ASN C C 13 173.44 0.3 . 1 . . . . . 87 ASN C . 50951 1 56 . 1 . 1 87 87 ASN CA C 13 51.37 0.3 . 1 . . . . . 87 ASN CA . 50951 1 57 . 1 . 1 87 87 ASN CB C 13 38.775 0.3 . 1 . . . . . 87 ASN CB . 50951 1 58 . 1 . 1 87 87 ASN CG C 13 175.31 0.3 . 1 . . . . . 87 ASN CG . 50951 1 59 . 1 . 1 87 87 ASN N N 15 125.776 0.3 . 1 . . . . . 87 ASN N . 50951 1 60 . 1 . 1 87 87 ASN ND2 N 15 114.87 0.3 . 1 . . . . . 87 ASN ND2 . 50951 1 61 . 1 . 1 88 88 PHE C C 13 173.68 0.3 . 1 . . . . . 88 PHE C . 50951 1 62 . 1 . 1 88 88 PHE CA C 13 54.628 0.3 . 1 . . . . . 88 PHE CA . 50951 1 63 . 1 . 1 88 88 PHE CB C 13 40.363 0.3 . 1 . . . . . 88 PHE CB . 50951 1 64 . 1 . 1 88 88 PHE CG C 13 138.534 0.3 . 1 . . . . . 88 PHE CG . 50951 1 65 . 1 . 1 88 88 PHE CD1 C 13 131.671 0.3 . 1 . . . . . 88 PHE CD1 . 50951 1 66 . 1 . 1 88 88 PHE CE1 C 13 131.671 0.3 . 1 . . . . . 88 PHE CE1 . 50951 1 67 . 1 . 1 88 88 PHE N N 15 111.179 0.3 . 1 . . . . . 88 PHE N . 50951 1 68 . 1 . 1 89 89 VAL C C 13 175.92 0.3 . 1 . . . . . 89 VAL C . 50951 1 69 . 1 . 1 89 89 VAL CA C 13 59.697 0.3 . 1 . . . . . 89 VAL CA . 50951 1 70 . 1 . 1 89 89 VAL CB C 13 37.003 0.3 . 1 . . . . . 89 VAL CB . 50951 1 71 . 1 . 1 89 89 VAL CG1 C 13 23.217 0.3 . 1 . . . . . 89 VAL CG1 . 50951 1 72 . 1 . 1 89 89 VAL CG2 C 13 22.382 0.3 . 1 . . . . . 89 VAL CG2 . 50951 1 73 . 1 . 1 89 89 VAL N N 15 113.897 0.3 . 1 . . . . . 89 VAL N . 50951 1 74 . 1 . 1 90 90 HIS C C 13 174.28 0.3 . 1 . . . . . 90 HIS C . 50951 1 75 . 1 . 1 90 90 HIS CA C 13 54.701 0.3 . 1 . . . . . 90 HIS CA . 50951 1 76 . 1 . 1 90 90 HIS CB C 13 30.54 0.3 . 1 . . . . . 90 HIS CB . 50951 1 77 . 1 . 1 90 90 HIS CG C 13 130.651 0.3 . 1 . . . . . 90 HIS CG . 50951 1 78 . 1 . 1 90 90 HIS CD2 C 13 121.615 0.3 . 1 . . . . . 90 HIS CD2 . 50951 1 79 . 1 . 1 90 90 HIS CE1 C 13 137.824 0.3 . 1 . . . . . 90 HIS CE1 . 50951 1 80 . 1 . 1 90 90 HIS N N 15 113.858 0.3 . 1 . . . . . 90 HIS N . 50951 1 81 . 1 . 1 91 91 ASP C C 13 174.93 0.3 . 1 . . . . . 91 ASP C . 50951 1 82 . 1 . 1 91 91 ASP CA C 13 56.909 0.3 . 1 . . . . . 91 ASP CA . 50951 1 83 . 1 . 1 91 91 ASP CB C 13 39.108 0.3 . 1 . . . . . 91 ASP CB . 50951 1 84 . 1 . 1 91 91 ASP CG C 13 182.489 0.3 . 1 . . . . . 91 ASP CG . 50951 1 85 . 1 . 1 91 91 ASP N N 15 109.627 0.3 . 1 . . . . . 91 ASP N . 50951 1 86 . 1 . 1 92 92 CYS C C 13 172.97 0.3 . 1 . . . . . 92 CYS C . 50951 1 87 . 1 . 1 92 92 CYS CA C 13 56.129 0.3 . 1 . . . . . 92 CYS CA . 50951 1 88 . 1 . 1 92 92 CYS CB C 13 48.915 0.3 . 1 . . . . . 92 CYS CB . 50951 1 89 . 1 . 1 92 92 CYS N N 15 110.209 0.3 . 1 . . . . . 92 CYS N . 50951 1 90 . 1 . 1 93 93 VAL C C 13 172.77 0.3 . 1 . . . . . 93 VAL C . 50951 1 91 . 1 . 1 93 93 VAL CA C 13 60.86 0.3 . 1 . . . . . 93 VAL CA . 50951 1 92 . 1 . 1 93 93 VAL CB C 13 36.338 0.3 . 1 . . . . . 93 VAL CB . 50951 1 93 . 1 . 1 93 93 VAL CG1 C 13 21.191 0.3 . 1 . . . . . 93 VAL CG1 . 50951 1 94 . 1 . 1 93 93 VAL CG2 C 13 19.787 0.3 . 1 . . . . . 93 VAL CG2 . 50951 1 95 . 1 . 1 93 93 VAL N N 15 120.03 0.3 . 1 . . . . . 93 VAL N . 50951 1 96 . 1 . 1 94 94 ASN C C 13 173.2 0.3 . 1 . . . . . 94 ASN C . 50951 1 97 . 1 . 1 94 94 ASN CA C 13 52.222 0.3 . 1 . . . . . 94 ASN CA . 50951 1 98 . 1 . 1 94 94 ASN CB C 13 42.719 0.3 . 1 . . . . . 94 ASN CB . 50951 1 99 . 1 . 1 94 94 ASN CG C 13 175.528 0.3 . 1 . . . . . 94 ASN CG . 50951 1 100 . 1 . 1 94 94 ASN N N 15 125.776 0.3 . 1 . . . . . 94 ASN N . 50951 1 101 . 1 . 1 94 94 ASN ND2 N 15 110.684 0.3 . 1 . . . . . 94 ASN ND2 . 50951 1 102 . 1 . 1 95 95 ILE CA C 13 59.836 0.3 . 1 . . . . . 95 ILE CA . 50951 1 103 . 1 . 1 95 95 ILE CB C 13 41.971 0.3 . 1 . . . . . 95 ILE CB . 50951 1 104 . 1 . 1 95 95 ILE CG1 C 13 31.241 0.3 . 1 . . . . . 95 ILE CG1 . 50951 1 105 . 1 . 1 95 95 ILE CG2 C 13 17.286 0.3 . 1 . . . . . 95 ILE CG2 . 50951 1 106 . 1 . 1 95 95 ILE CD1 C 13 13.431 0.3 . 1 . . . . . 95 ILE CD1 . 50951 1 107 . 1 . 1 95 95 ILE N N 15 123.164 0.3 . 1 . . . . . 95 ILE N . 50951 1 108 . 1 . 1 97 97 ILE C C 13 173.8 0.3 . 1 . . . . . 97 ILE C . 50951 1 109 . 1 . 1 97 97 ILE CA C 13 59.535 0.3 . 1 . . . . . 97 ILE CA . 50951 1 110 . 1 . 1 97 97 ILE CB C 13 41.615 0.3 . 1 . . . . . 97 ILE CB . 50951 1 111 . 1 . 1 97 97 ILE CG1 C 13 31.174 0.3 . 1 . . . . . 97 ILE CG1 . 50951 1 112 . 1 . 1 97 97 ILE CG2 C 13 17.266 0.3 . 1 . . . . . 97 ILE CG2 . 50951 1 113 . 1 . 1 97 97 ILE CD1 C 13 13.568 0.3 . 1 . . . . . 97 ILE CD1 . 50951 1 114 . 1 . 1 98 98 LYS CA C 13 53.651 0.3 . 1 . . . . . 98 LYS CA . 50951 1 115 . 1 . 1 98 98 LYS CB C 13 39.438 0.3 . 1 . . . . . 98 LYS CB . 50951 1 116 . 1 . 1 98 98 LYS CG C 13 25.684 0.3 . 1 . . . . . 98 LYS CG . 50951 1 117 . 1 . 1 98 98 LYS CD C 13 30.711 0.3 . 1 . . . . . 98 LYS CD . 50951 1 118 . 1 . 1 98 98 LYS CE C 13 42.174 0.3 . 1 . . . . . 98 LYS CE . 50951 1 119 . 1 . 1 98 98 LYS N N 15 119.564 0.3 . 1 . . . . . 98 LYS N . 50951 1 120 . 1 . 1 99 99 GLN C C 13 173.72 0.3 . 1 . . . . . 99 GLN C . 50951 1 121 . 1 . 1 99 99 GLN CA C 13 54.387 0.3 . 1 . . . . . 99 GLN CA . 50951 1 122 . 1 . 1 99 99 GLN CB C 13 31.049 0.3 . 1 . . . . . 99 GLN CB . 50951 1 123 . 1 . 1 99 99 GLN CG C 13 34.938 0.3 . 1 . . . . . 99 GLN CG . 50951 1 124 . 1 . 1 99 99 GLN CD C 13 178.468 0.3 . 1 . . . . . 99 GLN CD . 50951 1 125 . 1 . 1 100 100 HIS CA C 13 54.562 0.3 . 1 . . . . . 100 HIS CA . 50951 1 126 . 1 . 1 100 100 HIS CB C 13 32.516 0.3 . 1 . . . . . 100 HIS CB . 50951 1 127 . 1 . 1 100 100 HIS CG C 13 138.313 0.3 . 1 . . . . . 100 HIS CG . 50951 1 128 . 1 . 1 100 100 HIS CD2 C 13 115.256 0.3 . 1 . . . . . 100 HIS CD2 . 50951 1 129 . 1 . 1 100 100 HIS N N 15 125.238 0.3 . 1 . . . . . 100 HIS N . 50951 1 130 . 1 . 1 100 100 HIS NE2 N 15 191.485 0.3 . 1 . . . . . 100 HIS NE2 . 50951 1 131 . 1 . 1 102 102 VAL CA C 13 60.566 0.3 . 1 . . . . . 102 VAL CA . 50951 1 132 . 1 . 1 102 102 VAL CB C 13 35.858 0.3 . 1 . . . . . 102 VAL CB . 50951 1 133 . 1 . 1 102 102 VAL CG1 C 13 20.203 0.3 . 1 . . . . . 102 VAL CG1 . 50951 1 134 . 1 . 1 102 102 VAL CG2 C 13 21.304 0.3 . 1 . . . . . 102 VAL CG2 . 50951 1 135 . 1 . 1 102 102 VAL N N 15 125.853 0.3 . 1 . . . . . 102 VAL N . 50951 1 136 . 1 . 1 107 107 LYS C C 13 178.17 0.3 . 1 . . . . . 107 LYS C . 50951 1 137 . 1 . 1 107 107 LYS CA C 13 57.38 0.3 . 1 . . . . . 107 LYS CA . 50951 1 138 . 1 . 1 107 107 LYS CB C 13 34.307 0.3 . 1 . . . . . 107 LYS CB . 50951 1 139 . 1 . 1 107 107 LYS CG C 13 25.636 0.3 . 1 . . . . . 107 LYS CG . 50951 1 140 . 1 . 1 107 107 LYS CD C 13 29.354 0.3 . 1 . . . . . 107 LYS CD . 50951 1 141 . 1 . 1 107 107 LYS CE C 13 42.399 0.3 . 1 . . . . . 107 LYS CE . 50951 1 142 . 1 . 1 107 107 LYS N N 15 115.76 0.3 . 1 . . . . . 107 LYS N . 50951 1 143 . 1 . 1 108 108 GLY C C 13 172.54 0.3 . 1 . . . . . 108 GLY C . 50951 1 144 . 1 . 1 108 108 GLY CA C 13 43.873 0.3 . 1 . . . . . 108 GLY CA . 50951 1 145 . 1 . 1 108 108 GLY N N 15 105.862 0.3 . 1 . . . . . 108 GLY N . 50951 1 146 . 1 . 1 109 109 GLU C C 13 173.98 0.3 . 1 . . . . . 109 GLU C . 50951 1 147 . 1 . 1 109 109 GLU CA C 13 57.308 0.3 . 1 . . . . . 109 GLU CA . 50951 1 148 . 1 . 1 109 109 GLU CB C 13 30.097 0.3 . 1 . . . . . 109 GLU CB . 50951 1 149 . 1 . 1 109 109 GLU CD C 13 182.966 0.3 . 1 . . . . . 109 GLU CD . 50951 1 150 . 1 . 1 109 109 GLU N N 15 124.066 0.3 . 1 . . . . . 109 GLU N . 50951 1 151 . 1 . 1 110 110 ASN C C 13 173.05 0.3 . 1 . . . . . 110 ASN C . 50951 1 152 . 1 . 1 110 110 ASN CA C 13 51.333 0.3 . 1 . . . . . 110 ASN CA . 50951 1 153 . 1 . 1 110 110 ASN CB C 13 42.099 0.3 . 1 . . . . . 110 ASN CB . 50951 1 154 . 1 . 1 110 110 ASN CG C 13 176.368 0.3 . 1 . . . . . 110 ASN CG . 50951 1 155 . 1 . 1 110 110 ASN N N 15 122.321 0.3 . 1 . . . . . 110 ASN N . 50951 1 156 . 1 . 1 110 110 ASN ND2 N 15 108.524 0.3 . 1 . . . . . 110 ASN ND2 . 50951 1 157 . 1 . 1 111 111 PHE CA C 13 56.239 0.3 . 1 . . . . . 111 PHE CA . 50951 1 158 . 1 . 1 111 111 PHE CB C 13 41.811 0.3 . 1 . . . . . 111 PHE CB . 50951 1 159 . 1 . 1 111 111 PHE CG C 13 138.118 0.3 . 1 . . . . . 111 PHE CG . 50951 1 160 . 1 . 1 111 111 PHE CD1 C 13 131.555 0.3 . 1 . . . . . 111 PHE CD1 . 50951 1 161 . 1 . 1 111 111 PHE N N 15 126.108 0.3 . 1 . . . . . 111 PHE N . 50951 1 162 . 1 . 1 115 115 ASP C C 13 173.5 0.3 . 1 . . . . . 115 ASP C . 50951 1 163 . 1 . 1 115 115 ASP CA C 13 53.653 0.3 . 1 . . . . . 115 ASP CA . 50951 1 164 . 1 . 1 115 115 ASP CB C 13 37.813 0.3 . 1 . . . . . 115 ASP CB . 50951 1 165 . 1 . 1 115 115 ASP CG C 13 180.424 0.3 . 1 . . . . . 115 ASP CG . 50951 1 166 . 1 . 1 115 115 ASP N N 15 124.343 0.3 . 1 . . . . . 115 ASP N . 50951 1 167 . 1 . 1 116 116 VAL C C 13 174.37 0.3 . 1 . . . . . 116 VAL C . 50951 1 168 . 1 . 1 116 116 VAL CA C 13 59.878 0.3 . 1 . . . . . 116 VAL CA . 50951 1 169 . 1 . 1 116 116 VAL CB C 13 35.932 0.3 . 1 . . . . . 116 VAL CB . 50951 1 170 . 1 . 1 116 116 VAL CG1 C 13 21.048 0.3 . 1 . . . . . 116 VAL CG1 . 50951 1 171 . 1 . 1 116 116 VAL CG2 C 13 22.174 0.3 . 1 . . . . . 116 VAL CG2 . 50951 1 172 . 1 . 1 116 116 VAL N N 15 118.71 0.3 . 1 . . . . . 116 VAL N . 50951 1 173 . 1 . 1 117 117 LYS CA C 13 54.702 0.3 . 1 . . . . . 117 LYS CA . 50951 1 174 . 1 . 1 117 117 LYS CB C 13 37.057 0.3 . 1 . . . . . 117 LYS CB . 50951 1 175 . 1 . 1 117 117 LYS CG C 13 26.063 0.3 . 1 . . . . . 117 LYS CG . 50951 1 176 . 1 . 1 117 117 LYS CD C 13 30.78 0.3 . 1 . . . . . 117 LYS CD . 50951 1 177 . 1 . 1 117 117 LYS CE C 13 42.128 0.3 . 1 . . . . . 117 LYS CE . 50951 1 178 . 1 . 1 117 117 LYS N N 15 124.497 0.3 . 1 . . . . . 117 LYS N . 50951 1 179 . 1 . 1 119 119 MET C C 13 173.66 0.3 . 1 . . . . . 119 MET C . 50951 1 180 . 1 . 1 119 119 MET CA C 13 54.593 0.3 . 1 . . . . . 119 MET CA . 50951 1 181 . 1 . 1 119 119 MET CB C 13 39.556 0.3 . 1 . . . . . 119 MET CB . 50951 1 182 . 1 . 1 119 119 MET CG C 13 31.521 0.3 . 1 . . . . . 119 MET CG . 50951 1 183 . 1 . 1 119 119 MET N N 15 119.681 0.3 . 1 . . . . . 119 MET N . 50951 1 184 . 1 . 1 120 120 GLU CA C 13 54.269 0.3 . 1 . . . . . 120 GLU CA . 50951 1 185 . 1 . 1 120 120 GLU CB C 13 32.469 0.3 . 1 . . . . . 120 GLU CB . 50951 1 186 . 1 . 1 120 120 GLU CG C 13 35.989 0.3 . 1 . . . . . 120 GLU CG . 50951 1 187 . 1 . 1 120 120 GLU CD C 13 182.231 0.3 . 1 . . . . . 120 GLU CD . 50951 1 188 . 1 . 1 120 120 GLU N N 15 125.169 0.3 . 1 . . . . . 120 GLU N . 50951 1 189 . 1 . 1 122 122 VAL C C 13 174.38 0.3 . 1 . . . . . 122 VAL C . 50951 1 190 . 1 . 1 122 122 VAL CA C 13 59.625 0.3 . 1 . . . . . 122 VAL CA . 50951 1 191 . 1 . 1 122 122 VAL CB C 13 37.003 0.3 . 1 . . . . . 122 VAL CB . 50951 1 192 . 1 . 1 122 122 VAL CG1 C 13 21.976 0.3 . 1 . . . . . 122 VAL CG1 . 50951 1 193 . 1 . 1 122 122 VAL CG2 C 13 23.505 0.3 . 1 . . . . . 122 VAL CG2 . 50951 1 194 . 1 . 1 122 122 VAL N N 15 116.11 0.3 . 1 . . . . . 122 VAL N . 50951 1 195 . 1 . 1 123 123 VAL C C 13 173.94 0.3 . 1 . . . . . 123 VAL C . 50951 1 196 . 1 . 1 123 123 VAL CA C 13 61.218 0.3 . 1 . . . . . 123 VAL CA . 50951 1 197 . 1 . 1 123 123 VAL CB C 13 35.083 0.3 . 1 . . . . . 123 VAL CB . 50951 1 198 . 1 . 1 123 123 VAL CG1 C 13 20.331 0.3 . 1 . . . . . 123 VAL CG1 . 50951 1 199 . 1 . 1 123 123 VAL CG2 C 13 21.176 0.3 . 1 . . . . . 123 VAL CG2 . 50951 1 200 . 1 . 1 123 123 VAL N N 15 126.513 0.3 . 1 . . . . . 123 VAL N . 50951 1 201 . 1 . 1 124 124 GLU C C 13 174.89 0.3 . 1 . . . . . 124 GLU C . 50951 1 202 . 1 . 1 124 124 GLU CA C 13 54.704 0.3 . 1 . . . . . 124 GLU CA . 50951 1 203 . 1 . 1 124 124 GLU CB C 13 32.457 0.3 . 1 . . . . . 124 GLU CB . 50951 1 204 . 1 . 1 124 124 GLU CG C 13 34.946 0.3 . 1 . . . . . 124 GLU CG . 50951 1 205 . 1 . 1 124 124 GLU CD C 13 181.814 0.3 . 1 . . . . . 124 GLU CD . 50951 1 206 . 1 . 1 124 124 GLU N N 15 124.399 0.3 . 1 . . . . . 124 GLU N . 50951 1 207 . 1 . 1 125 125 GLN C C 13 174.36 0.3 . 1 . . . . . 125 GLN C . 50951 1 208 . 1 . 1 125 125 GLN CA C 13 54.628 0.3 . 1 . . . . . 125 GLN CA . 50951 1 209 . 1 . 1 125 125 GLN CB C 13 34.122 0.3 . 1 . . . . . 125 GLN CB . 50951 1 210 . 1 . 1 125 125 GLN CG C 13 36.224 0.3 . 1 . . . . . 125 GLN CG . 50951 1 211 . 1 . 1 125 125 GLN CD C 13 178.785 0.3 . 1 . . . . . 125 GLN CD . 50951 1 212 . 1 . 1 125 125 GLN N N 15 118.478 0.3 . 1 . . . . . 125 GLN N . 50951 1 213 . 1 . 1 125 125 GLN NE2 N 15 110.347 0.3 . 1 . . . . . 125 GLN NE2 . 50951 1 214 . 1 . 1 126 126 MET C C 13 175.43 0.3 . 1 . . . . . 126 MET C . 50951 1 215 . 1 . 1 126 126 MET CA C 13 54.556 0.3 . 1 . . . . . 126 MET CA . 50951 1 216 . 1 . 1 126 126 MET CB C 13 34.492 0.3 . 1 . . . . . 126 MET CB . 50951 1 217 . 1 . 1 126 126 MET N N 15 123.175 0.3 . 1 . . . . . 126 MET N . 50951 1 218 . 1 . 1 127 127 CYS C C 13 171.66 0.3 . 1 . . . . . 127 CYS C . 50951 1 219 . 1 . 1 127 127 CYS CA C 13 56.728 0.3 . 1 . . . . . 127 CYS CA . 50951 1 220 . 1 . 1 127 127 CYS CB C 13 41.914 0.3 . 1 . . . . . 127 CYS CB . 50951 1 221 . 1 . 1 127 127 CYS N N 15 119.137 0.3 . 1 . . . . . 127 CYS N . 50951 1 222 . 1 . 1 128 128 VAL CA C 13 59.661 0.3 . 1 . . . . . 128 VAL CA . 50951 1 223 . 1 . 1 128 128 VAL CB C 13 35.932 0.3 . 1 . . . . . 128 VAL CB . 50951 1 224 . 1 . 1 128 128 VAL CG1 C 13 23.448 0.3 . 1 . . . . . 128 VAL CG1 . 50951 1 225 . 1 . 1 128 128 VAL CG2 C 13 21.107 0.3 . 1 . . . . . 128 VAL CG2 . 50951 1 226 . 1 . 1 128 128 VAL N N 15 118.322 0.3 . 1 . . . . . 128 VAL N . 50951 1 227 . 1 . 1 130 130 GLN C C 13 176.72 0.3 . 1 . . . . . 130 GLN C . 50951 1 228 . 1 . 1 130 130 GLN CA C 13 54.556 0.3 . 1 . . . . . 130 GLN CA . 50951 1 229 . 1 . 1 130 130 GLN CB C 13 37.197 0.3 . 1 . . . . . 130 GLN CB . 50951 1 230 . 1 . 1 130 130 GLN CG C 13 38.678 0.3 . 1 . . . . . 130 GLN CG . 50951 1 231 . 1 . 1 130 130 GLN CD C 13 178.841 0.3 . 1 . . . . . 130 GLN CD . 50951 1 232 . 1 . 1 130 130 GLN N N 15 120.263 0.3 . 1 . . . . . 130 GLN N . 50951 1 233 . 1 . 1 130 130 GLN NE2 N 15 107.141 0.3 . 1 . . . . . 130 GLN NE2 . 50951 1 234 . 1 . 1 131 131 TYR C C 13 174.49 0.3 . 1 . . . . . 131 TYR C . 50951 1 235 . 1 . 1 131 131 TYR CA C 13 61.363 0.3 . 1 . . . . . 131 TYR CA . 50951 1 236 . 1 . 1 131 131 TYR CB C 13 36.461 0.3 . 1 . . . . . 131 TYR CB . 50951 1 237 . 1 . 1 131 131 TYR CG C 13 129.197 0.3 . 1 . . . . . 131 TYR CG . 50951 1 238 . 1 . 1 131 131 TYR CD1 C 13 133.623 0.3 . 1 . . . . . 131 TYR CD1 . 50951 1 239 . 1 . 1 131 131 TYR CE1 C 13 118.274 0.3 . 1 . . . . . 131 TYR CE1 . 50951 1 240 . 1 . 1 131 131 TYR CZ C 13 157.337 0.3 . 1 . . . . . 131 TYR CZ . 50951 1 241 . 1 . 1 131 131 TYR N N 15 103.989 0.3 . 1 . . . . . 131 TYR N . 50951 1 242 . 1 . 1 132 132 GLN C C 13 175.49 0.3 . 1 . . . . . 132 GLN C . 50951 1 243 . 1 . 1 132 132 GLN CA C 13 60.892 0.3 . 1 . . . . . 132 GLN CA . 50951 1 244 . 1 . 1 132 132 GLN CB C 13 27.438 0.3 . 1 . . . . . 132 GLN CB . 50951 1 245 . 1 . 1 132 132 GLN CG C 13 36.299 0.3 . 1 . . . . . 132 GLN CG . 50951 1 246 . 1 . 1 132 132 GLN CD C 13 179.37 0.3 . 1 . . . . . 132 GLN CD . 50951 1 247 . 1 . 1 132 132 GLN N N 15 120.302 0.3 . 1 . . . . . 132 GLN N . 50951 1 248 . 1 . 1 132 132 GLN NE2 N 15 108.659 0.3 . 1 . . . . . 132 GLN NE2 . 50951 1 249 . 1 . 1 133 133 LYS C C 13 174.73 0.3 . 1 . . . . . 133 LYS C . 50951 1 250 . 1 . 1 133 133 LYS CA C 13 54.809 0.3 . 1 . . . . . 133 LYS CA . 50951 1 251 . 1 . 1 133 133 LYS CB C 13 37.335 0.3 . 1 . . . . . 133 LYS CB . 50951 1 252 . 1 . 1 133 133 LYS CG C 13 25.684 0.3 . 1 . . . . . 133 LYS CG . 50951 1 253 . 1 . 1 133 133 LYS CD C 13 30.057 0.3 . 1 . . . . . 133 LYS CD . 50951 1 254 . 1 . 1 133 133 LYS CE C 13 42.446 0.3 . 1 . . . . . 133 LYS CE . 50951 1 255 . 1 . 1 133 133 LYS N N 15 116.498 0.3 . 1 . . . . . 133 LYS N . 50951 1 256 . 1 . 1 134 134 GLU C C 13 174.28 0.3 . 1 . . . . . 134 GLU C . 50951 1 257 . 1 . 1 134 134 GLU CA C 13 54.556 0.3 . 1 . . . . . 134 GLU CA . 50951 1 258 . 1 . 1 134 134 GLU CB C 13 32.424 0.3 . 1 . . . . . 134 GLU CB . 50951 1 259 . 1 . 1 134 134 GLU CD C 13 179.074 0.3 . 1 . . . . . 134 GLU CD . 50951 1 260 . 1 . 1 134 134 GLU N N 15 124.417 0.3 . 1 . . . . . 134 GLU N . 50951 1 261 . 1 . 1 135 135 SER C C 13 172.81 0.3 . 1 . . . . . 135 SER C . 50951 1 262 . 1 . 1 135 135 SER CA C 13 57.127 0.3 . 1 . . . . . 135 SER CA . 50951 1 263 . 1 . 1 135 135 SER CB C 13 66.583 0.3 . 1 . . . . . 135 SER CB . 50951 1 264 . 1 . 1 135 135 SER N N 15 119.06 0.3 . 1 . . . . . 135 SER N . 50951 1 265 . 1 . 1 136 136 GLN C C 13 175.33 0.3 . 1 . . . . . 136 GLN C . 50951 1 266 . 1 . 1 136 136 GLN CA C 13 55.484 0.3 . 1 . . . . . 136 GLN CA . 50951 1 267 . 1 . 1 136 136 GLN CB C 13 34.997 0.3 . 1 . . . . . 136 GLN CB . 50951 1 268 . 1 . 1 136 136 GLN CG C 13 34.997 0.3 . 1 . . . . . 136 GLN CG . 50951 1 269 . 1 . 1 136 136 GLN CD C 13 178.73 0.3 . 1 . . . . . 136 GLN CD . 50951 1 270 . 1 . 1 136 136 GLN N N 15 124.844 0.3 . 1 . . . . . 136 GLN N . 50951 1 271 . 1 . 1 136 136 GLN NE2 N 15 108.086 0.3 . 1 . . . . . 136 GLN NE2 . 50951 1 272 . 1 . 1 137 137 ALA CA C 13 51.17 0.3 . 1 . . . . . 137 ALA CA . 50951 1 273 . 1 . 1 137 137 ALA CB C 13 24.153 0.3 . 1 . . . . . 137 ALA CB . 50951 1 274 . 1 . 1 137 137 ALA N N 15 127.561 0.3 . 1 . . . . . 137 ALA N . 50951 1 stop_ save_