################################### # 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 51678 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_1 _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 '2D 13C-13C DARR' . . . 51678 1 2 '3D NCACX DARR' . . . 51678 1 3 '3D NCOCX DARR' . . . 51678 1 4 '3D CANCO' . . . 51678 1 5 '2D 13C-13C DARR' . . . 51678 1 6 '2D NCA' . . . 51678 1 7 '2D NCO' . . . 51678 1 8 '3D NCOCA SPC5' . . . 51678 1 9 '3D CANCO' . . . 51678 1 10 '2D 13C-13C SPC7' . . . 51678 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 2 $software_2 . . 51678 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 35 35 GLU C C 13 176.221 0.118 . 1 . . . . . 35 GLU C . 51678 1 2 . 1 . 1 35 35 GLU CA C 13 53.370 0.098 . 1 . . . . . 35 GLU CA . 51678 1 3 . 1 . 1 35 35 GLU CB C 13 35.740 0.123 . 1 . . . . . 35 GLU CB . 51678 1 4 . 1 . 1 35 35 GLU CG C 13 35.544 0.044 . 1 . . . . . 35 GLU CG . 51678 1 5 . 1 . 1 35 35 GLU CD C 13 183.276 0.105 . 1 . . . . . 35 GLU CD . 51678 1 6 . 1 . 1 35 35 GLU N N 15 122.120 0.250 . 1 . . . . . 35 GLU N . 51678 1 7 . 1 . 1 36 36 GLY C C 13 173.845 0.087 . 1 . . . . . 36 GLY C . 51678 1 8 . 1 . 1 36 36 GLY CA C 13 48.331 0.082 . 1 . . . . . 36 GLY CA . 51678 1 9 . 1 . 1 36 36 GLY N N 15 117.538 0.144 . 1 . . . . . 36 GLY N . 51678 1 10 . 1 . 1 37 37 VAL C C 13 172.500 0.083 . 1 . . . . . 37 VAL C . 51678 1 11 . 1 . 1 37 37 VAL CA C 13 59.963 0.101 . 1 . . . . . 37 VAL CA . 51678 1 12 . 1 . 1 37 37 VAL CB C 13 35.796 0.114 . 1 . . . . . 37 VAL CB . 51678 1 13 . 1 . 1 37 37 VAL CG1 C 13 24.171 0.185 . 1 . . . . . 37 VAL CG1 . 51678 1 14 . 1 . 1 37 37 VAL CG2 C 13 22.258 0.111 . 1 . . . . . 37 VAL CG2 . 51678 1 15 . 1 . 1 37 37 VAL N N 15 118.582 0.200 . 1 . . . . . 37 VAL N . 51678 1 16 . 1 . 1 38 38 LEU C C 13 173.820 0.127 . 1 . . . . . 38 LEU C . 51678 1 17 . 1 . 1 38 38 LEU CA C 13 52.471 0.089 . 1 . . . . . 38 LEU CA . 51678 1 18 . 1 . 1 38 38 LEU CB C 13 47.255 0.071 . 1 . . . . . 38 LEU CB . 51678 1 19 . 1 . 1 38 38 LEU CG C 13 27.580 0.085 . 1 . . . . . 38 LEU CG . 51678 1 20 . 1 . 1 38 38 LEU CD1 C 13 25.316 0.133 . 1 . . . . . 38 LEU CD1 . 51678 1 21 . 1 . 1 38 38 LEU CD2 C 13 29.074 0.102 . 1 . . . . . 38 LEU CD2 . 51678 1 22 . 1 . 1 38 38 LEU N N 15 127.846 0.291 . 1 . . . . . 38 LEU N . 51678 1 23 . 1 . 1 39 39 TYR C C 13 173.757 0.146 . 1 . . . . . 39 TYR C . 51678 1 24 . 1 . 1 39 39 TYR CA C 13 56.343 0.144 . 1 . . . . . 39 TYR CA . 51678 1 25 . 1 . 1 39 39 TYR CB C 13 43.444 0.130 . 1 . . . . . 39 TYR CB . 51678 1 26 . 1 . 1 39 39 TYR CG C 13 127.911 0.126 . 1 . . . . . 39 TYR CG . 51678 1 27 . 1 . 1 39 39 TYR CD1 C 13 132.785 0.143 . 1 . . . . . 39 TYR CD1 . 51678 1 28 . 1 . 1 39 39 TYR CD2 C 13 132.370 0.071 . 1 . . . . . 39 TYR CD2 . 51678 1 29 . 1 . 1 39 39 TYR CE1 C 13 117.537 0.157 . 1 . . . . . 39 TYR CE1 . 51678 1 30 . 1 . 1 39 39 TYR CE2 C 13 117.214 0.146 . 1 . . . . . 39 TYR CE2 . 51678 1 31 . 1 . 1 39 39 TYR CZ C 13 157.305 0.164 . 1 . . . . . 39 TYR CZ . 51678 1 32 . 1 . 1 39 39 TYR N N 15 131.561 0.463 . 1 . . . . . 39 TYR N . 51678 1 33 . 1 . 1 40 40 VAL C C 13 173.541 0.073 . 1 . . . . . 40 VAL C . 51678 1 34 . 1 . 1 40 40 VAL CA C 13 59.899 0.111 . 1 . . . . . 40 VAL CA . 51678 1 35 . 1 . 1 40 40 VAL CB C 13 34.440 0.105 . 1 . . . . . 40 VAL CB . 51678 1 36 . 1 . 1 40 40 VAL CG1 C 13 21.861 0.128 . 1 . . . . . 40 VAL CG1 . 51678 1 37 . 1 . 1 40 40 VAL CG2 C 13 19.979 0.133 . 1 . . . . . 40 VAL CG2 . 51678 1 38 . 1 . 1 40 40 VAL N N 15 127.073 0.196 . 1 . . . . . 40 VAL N . 51678 1 39 . 1 . 1 41 41 GLY C C 13 170.305 0.117 . 1 . . . . . 41 GLY C . 51678 1 40 . 1 . 1 41 41 GLY CA C 13 44.612 0.101 . 1 . . . . . 41 GLY CA . 51678 1 41 . 1 . 1 41 41 GLY N N 15 111.638 0.133 . 1 . . . . . 41 GLY N . 51678 1 42 . 1 . 1 42 42 SER C C 13 175.523 0.100 . 1 . . . . . 42 SER C . 51678 1 43 . 1 . 1 42 42 SER CA C 13 56.398 0.099 . 1 . . . . . 42 SER CA . 51678 1 44 . 1 . 1 42 42 SER CB C 13 68.652 0.105 . 1 . . . . . 42 SER CB . 51678 1 45 . 1 . 1 42 42 SER N N 15 116.816 0.121 . 1 . . . . . 42 SER N . 51678 1 46 . 1 . 1 43 43 LYS C C 13 176.688 0.122 . 1 . . . . . 43 LYS C . 51678 1 47 . 1 . 1 43 43 LYS CA C 13 56.559 0.096 . 1 . . . . . 43 LYS CA . 51678 1 48 . 1 . 1 43 43 LYS N N 15 123.835 0.230 . 1 . . . . . 43 LYS N . 51678 1 49 . 1 . 1 49 49 VAL CA C 13 60.527 0.153 . 1 . . . . . 49 VAL CA . 51678 1 50 . 1 . 1 49 49 VAL CG1 C 13 22.247 0.203 . 1 . . . . . 49 VAL CG1 . 51678 1 51 . 1 . 1 49 49 VAL CG2 C 13 21.486 0.089 . 1 . . . . . 49 VAL CG2 . 51678 1 52 . 1 . 1 50 50 HIS C C 13 175.842 0.116 . 1 . . . . . 50 HIS C . 51678 1 53 . 1 . 1 50 50 HIS CA C 13 51.588 0.122 . 1 . . . . . 50 HIS CA . 51678 1 54 . 1 . 1 50 50 HIS CB C 13 31.558 0.161 . 1 . . . . . 50 HIS CB . 51678 1 55 . 1 . 1 50 50 HIS CG C 13 129.299 0.132 . 1 . . . . . 50 HIS CG . 51678 1 56 . 1 . 1 50 50 HIS CD2 C 13 125.011 0.134 . 1 . . . . . 50 HIS CD2 . 51678 1 57 . 1 . 1 50 50 HIS CE1 C 13 140.236 0.109 . 1 . . . . . 50 HIS CE1 . 51678 1 58 . 1 . 1 62 62 GLN CA C 13 54.468 0.016 . 1 . . . . . 62 GLN CA . 51678 1 59 . 1 . 1 62 62 GLN CB C 13 27.133 0.357 . 1 . . . . . 62 GLN CB . 51678 1 60 . 1 . 1 62 62 GLN CG C 13 35.886 0.000 . 1 . . . . . 62 GLN CG . 51678 1 61 . 1 . 1 62 62 GLN CD C 13 177.561 0.099 . 1 . . . . . 62 GLN CD . 51678 1 62 . 1 . 1 62 62 GLN NE2 N 15 111.035 0.08 . 1 . . . . . 62 GLN NE2 . 51678 1 63 . 1 . 1 63 63 VAL C C 13 173.895 0.089 . 1 . . . . . 63 VAL C . 51678 1 64 . 1 . 1 63 63 VAL CA C 13 61.143 0.098 . 1 . . . . . 63 VAL CA . 51678 1 65 . 1 . 1 63 63 VAL CB C 13 35.541 0.056 . 1 . . . . . 63 VAL CB . 51678 1 66 . 1 . 1 63 63 VAL CG1 C 13 21.035 0.009 . 1 . . . . . 63 VAL CG1 . 51678 1 67 . 1 . 1 63 63 VAL N N 15 124.716 0.159 . 1 . . . . . 63 VAL N . 51678 1 68 . 1 . 1 64 64 THR C C 13 172.140 0.103 . 1 . . . . . 64 THR C . 51678 1 69 . 1 . 1 64 64 THR CA C 13 60.854 0.109 . 1 . . . . . 64 THR CA . 51678 1 70 . 1 . 1 64 64 THR CB C 13 68.591 0.105 . 1 . . . . . 64 THR CB . 51678 1 71 . 1 . 1 64 64 THR CG2 C 13 23.435 0.118 . 1 . . . . . 64 THR CG2 . 51678 1 72 . 1 . 1 64 64 THR N N 15 124.871 0.170 . 1 . . . . . 64 THR N . 51678 1 73 . 1 . 1 65 65 ASN C C 13 173.034 0.231 . 1 . . . . . 65 ASN C . 51678 1 74 . 1 . 1 65 65 ASN CA C 13 51.747 0.078 . 1 . . . . . 65 ASN CA . 51678 1 75 . 1 . 1 65 65 ASN CB C 13 41.874 0.095 . 1 . . . . . 65 ASN CB . 51678 1 76 . 1 . 1 65 65 ASN CG C 13 174.569 0.100 . 1 . . . . . 65 ASN CG . 51678 1 77 . 1 . 1 65 65 ASN N N 15 126.479 0.132 . 1 . . . . . 65 ASN N . 51678 1 78 . 1 . 1 65 65 ASN ND2 N 15 113.773 0.220 . 1 . . . . . 65 ASN ND2 . 51678 1 79 . 1 . 1 66 66 VAL C C 13 177.102 0.112 . 1 . . . . . 66 VAL C . 51678 1 80 . 1 . 1 66 66 VAL CA C 13 59.782 0.091 . 1 . . . . . 66 VAL CA . 51678 1 81 . 1 . 1 66 66 VAL CB C 13 34.549 0.104 . 1 . . . . . 66 VAL CB . 51678 1 82 . 1 . 1 66 66 VAL CG1 C 13 22.574 0.172 . 1 . . . . . 66 VAL CG1 . 51678 1 83 . 1 . 1 66 66 VAL CG2 C 13 20.934 0.118 . 1 . . . . . 66 VAL CG2 . 51678 1 84 . 1 . 1 66 66 VAL N N 15 124.982 0.247 . 1 . . . . . 66 VAL N . 51678 1 85 . 1 . 1 67 67 GLY C C 13 171.885 0.131 . 1 . . . . . 67 GLY C . 51678 1 86 . 1 . 1 67 67 GLY CA C 13 47.320 0.090 . 1 . . . . . 67 GLY CA . 51678 1 87 . 1 . 1 67 67 GLY N N 15 112.539 0.126 . 1 . . . . . 67 GLY N . 51678 1 88 . 1 . 1 68 68 GLY C C 13 172.347 0.096 . 1 . . . . . 68 GLY C . 51678 1 89 . 1 . 1 68 68 GLY CA C 13 44.250 0.087 . 1 . . . . . 68 GLY CA . 51678 1 90 . 1 . 1 68 68 GLY N N 15 100.687 0.166 . 1 . . . . . 68 GLY N . 51678 1 91 . 1 . 1 69 69 ALA C C 13 175.256 0.131 . 1 . . . . . 69 ALA C . 51678 1 92 . 1 . 1 69 69 ALA CA C 13 49.940 0.083 . 1 . . . . . 69 ALA CA . 51678 1 93 . 1 . 1 69 69 ALA CB C 13 22.178 0.081 . 1 . . . . . 69 ALA CB . 51678 1 94 . 1 . 1 69 69 ALA N N 15 121.718 0.152 . 1 . . . . . 69 ALA N . 51678 1 95 . 1 . 1 70 70 VAL C C 13 175.783 0.112 . 1 . . . . . 70 VAL C . 51678 1 96 . 1 . 1 70 70 VAL CA C 13 61.576 0.067 . 1 . . . . . 70 VAL CA . 51678 1 97 . 1 . 1 70 70 VAL CB C 13 32.760 0.075 . 1 . . . . . 70 VAL CB . 51678 1 98 . 1 . 1 70 70 VAL CG1 C 13 21.178 0.069 . 1 . . . . . 70 VAL CG1 . 51678 1 99 . 1 . 1 70 70 VAL CG2 C 13 19.756 0.067 . 1 . . . . . 70 VAL CG2 . 51678 1 100 . 1 . 1 70 70 VAL N N 15 124.444 0.137 . 1 . . . . . 70 VAL N . 51678 1 101 . 1 . 1 71 71 VAL C C 13 174.040 0.085 . 1 . . . . . 71 VAL C . 51678 1 102 . 1 . 1 71 71 VAL CA C 13 61.252 0.089 . 1 . . . . . 71 VAL CA . 51678 1 103 . 1 . 1 71 71 VAL CB C 13 34.742 0.099 . 1 . . . . . 71 VAL CB . 51678 1 104 . 1 . 1 71 71 VAL CG1 C 13 22.106 0.076 . 1 . . . . . 71 VAL CG1 . 51678 1 105 . 1 . 1 71 71 VAL CG2 C 13 19.753 0.068 . 1 . . . . . 71 VAL CG2 . 51678 1 106 . 1 . 1 71 71 VAL N N 15 131.001 0.112 . 1 . . . . . 71 VAL N . 51678 1 107 . 1 . 1 72 72 THR C C 13 174.622 0.141 . 1 . . . . . 72 THR C . 51678 1 108 . 1 . 1 72 72 THR CA C 13 59.966 0.095 . 1 . . . . . 72 THR CA . 51678 1 109 . 1 . 1 72 72 THR CB C 13 71.354 0.085 . 1 . . . . . 72 THR CB . 51678 1 110 . 1 . 1 72 72 THR CG2 C 13 22.639 0.123 . 1 . . . . . 72 THR CG2 . 51678 1 111 . 1 . 1 72 72 THR N N 15 124.675 0.086 . 1 . . . . . 72 THR N . 51678 1 112 . 1 . 1 73 73 GLY C C 13 172.252 0.070 . 1 . . . . . 73 GLY C . 51678 1 113 . 1 . 1 73 73 GLY CA C 13 48.883 0.079 . 1 . . . . . 73 GLY CA . 51678 1 114 . 1 . 1 73 73 GLY N N 15 117.683 0.233 . 1 . . . . . 73 GLY N . 51678 1 115 . 1 . 1 74 74 VAL C C 13 173.996 0.121 . 1 . . . . . 74 VAL C . 51678 1 116 . 1 . 1 74 74 VAL CA C 13 59.306 0.106 . 1 . . . . . 74 VAL CA . 51678 1 117 . 1 . 1 74 74 VAL CB C 13 37.421 0.075 . 1 . . . . . 74 VAL CB . 51678 1 118 . 1 . 1 74 74 VAL CG1 C 13 23.346 0.070 . 1 . . . . . 74 VAL CG1 . 51678 1 119 . 1 . 1 74 74 VAL CG2 C 13 20.318 0.061 . 1 . . . . . 74 VAL CG2 . 51678 1 120 . 1 . 1 74 74 VAL N N 15 117.545 0.100 . 1 . . . . . 74 VAL N . 51678 1 121 . 1 . 1 75 75 THR C C 13 171.904 0.150 . 1 . . . . . 75 THR C . 51678 1 122 . 1 . 1 75 75 THR CA C 13 61.440 0.089 . 1 . . . . . 75 THR CA . 51678 1 123 . 1 . 1 75 75 THR CB C 13 68.801 0.086 . 1 . . . . . 75 THR CB . 51678 1 124 . 1 . 1 75 75 THR CG2 C 13 22.950 0.113 . 1 . . . . . 75 THR CG2 . 51678 1 125 . 1 . 1 75 75 THR N N 15 123.228 0.197 . 1 . . . . . 75 THR N . 51678 1 126 . 1 . 1 76 76 ALA C C 13 174.035 0.07 . 1 . . . . . 76 ALA C . 51678 1 127 . 1 . 1 76 76 ALA CA C 13 49.854 0.17 . 1 . . . . . 76 ALA CA . 51678 1 128 . 1 . 1 76 76 ALA CB C 13 20.223 0.08 . 1 . . . . . 76 ALA CB . 51678 1 129 . 1 . 1 76 76 ALA N N 15 131.319 0.00 . 1 . . . . . 76 ALA N . 51678 1 130 . 1 . 1 77 77 VAL C C 13 172.336 0.078 . 1 . . . . . 77 VAL C . 51678 1 131 . 1 . 1 77 77 VAL CA C 13 60.508 0.130 . 1 . . . . . 77 VAL CA . 51678 1 132 . 1 . 1 77 77 VAL CB C 13 36.740 0.091 . 1 . . . . . 77 VAL CB . 51678 1 133 . 1 . 1 77 77 VAL CG1 C 13 20.914 0.642 . 1 . . . . . 77 VAL CG1 . 51678 1 134 . 1 . 1 77 77 VAL CG2 C 13 25.084 0.555 . 1 . . . . . 77 VAL CG2 . 51678 1 135 . 1 . 1 77 77 VAL N N 15 122.393 0.193 . 1 . . . . . 77 VAL N . 51678 1 136 . 1 . 1 78 78 ALA C C 13 175.735 0.129 . 1 . . . . . 78 ALA C . 51678 1 137 . 1 . 1 78 78 ALA CA C 13 50.523 0.101 . 1 . . . . . 78 ALA CA . 51678 1 138 . 1 . 1 78 78 ALA CB C 13 23.065 0.122 . 1 . . . . . 78 ALA CB . 51678 1 139 . 1 . 1 78 78 ALA N N 15 130.236 0.121 . 1 . . . . . 78 ALA N . 51678 1 140 . 1 . 1 79 79 GLN C C 13 174.048 0.086 . 1 . . . . . 79 GLN C . 51678 1 141 . 1 . 1 79 79 GLN CA C 13 54.450 0.117 . 1 . . . . . 79 GLN CA . 51678 1 142 . 1 . 1 79 79 GLN CB C 13 37.584 0.123 . 1 . . . . . 79 GLN CB . 51678 1 143 . 1 . 1 79 79 GLN CG C 13 34.469 0.090 . 1 . . . . . 79 GLN CG . 51678 1 144 . 1 . 1 79 79 GLN CD C 13 179.410 0.110 . 1 . . . . . 79 GLN CD . 51678 1 145 . 1 . 1 79 79 GLN N N 15 122.515 0.171 . 1 . . . . . 79 GLN N . 51678 1 146 . 1 . 1 79 79 GLN NE2 N 15 112.308 0.285 . 1 . . . . . 79 GLN NE2 . 51678 1 147 . 1 . 1 80 80 LYS C C 13 174.004 0.094 . 1 . . . . . 80 LYS C . 51678 1 148 . 1 . 1 80 80 LYS CA C 13 54.668 0.135 . 1 . . . . . 80 LYS CA . 51678 1 149 . 1 . 1 80 80 LYS CB C 13 35.459 0.120 . 1 . . . . . 80 LYS CB . 51678 1 150 . 1 . 1 80 80 LYS CG C 13 25.853 0.133 . 1 . . . . . 80 LYS CG . 51678 1 151 . 1 . 1 80 80 LYS CD C 13 26.572 0.186 . 1 . . . . . 80 LYS CD . 51678 1 152 . 1 . 1 80 80 LYS CE C 13 42.597 0.175 . 1 . . . . . 80 LYS CE . 51678 1 153 . 1 . 1 80 80 LYS N N 15 126.460 0.137 . 1 . . . . . 80 LYS N . 51678 1 154 . 1 . 1 81 81 THR C C 13 173.072 0.092 . 1 . . . . . 81 THR C . 51678 1 155 . 1 . 1 81 81 THR CA C 13 61.791 0.102 . 1 . . . . . 81 THR CA . 51678 1 156 . 1 . 1 81 81 THR CB C 13 69.897 0.143 . 1 . . . . . 81 THR CB . 51678 1 157 . 1 . 1 81 81 THR CG2 C 13 21.004 0.058 . 1 . . . . . 81 THR CG2 . 51678 1 158 . 1 . 1 81 81 THR N N 15 124.608 0.072 . 1 . . . . . 81 THR N . 51678 1 159 . 1 . 1 82 82 VAL C C 13 175.221 0.074 . 1 . . . . . 82 VAL C . 51678 1 160 . 1 . 1 82 82 VAL CA C 13 59.983 0.069 . 1 . . . . . 82 VAL CA . 51678 1 161 . 1 . 1 82 82 VAL CB C 13 35.106 0.053 . 1 . . . . . 82 VAL CB . 51678 1 162 . 1 . 1 82 82 VAL N N 15 126.637 0.000 . 1 . . . . . 82 VAL N . 51678 1 163 . 1 . 1 83 83 GLU CA C 13 54.977 0.096 . 1 . . . . . 83 GLU CA . 51678 1 164 . 1 . 1 83 83 GLU CB C 13 34.204 0.066 . 1 . . . . . 83 GLU CB . 51678 1 165 . 1 . 1 83 83 GLU CD C 13 183.825 0.103 . 1 . . . . . 83 GLU CD . 51678 1 166 . 1 . 1 83 83 GLU N N 15 118.327 0.097 . 1 . . . . . 83 GLU N . 51678 1 167 . 1 . 1 84 84 GLY C C 13 174.918 0.08 . 1 . . . . . 84 GLY C . 51678 1 168 . 1 . 1 85 85 ALA C C 13 174.772 0.144 . 1 . . . . . 85 ALA C . 51678 1 169 . 1 . 1 85 85 ALA CA C 13 49.801 0.117 . 1 . . . . . 85 ALA CA . 51678 1 170 . 1 . 1 85 85 ALA CB C 13 22.205 0.101 . 1 . . . . . 85 ALA CB . 51678 1 171 . 1 . 1 85 85 ALA N N 15 124.632 0.185 . 1 . . . . . 85 ALA N . 51678 1 172 . 1 . 1 86 86 GLY C C 13 171.498 0.063 . 1 . . . . . 86 GLY C . 51678 1 173 . 1 . 1 86 86 GLY CA C 13 44.246 0.099 . 1 . . . . . 86 GLY CA . 51678 1 174 . 1 . 1 86 86 GLY N N 15 109.949 0.150 . 1 . . . . . 86 GLY N . 51678 1 175 . 1 . 1 87 87 SER C C 13 174.484 0.100 . 1 . . . . . 87 SER C . 51678 1 176 . 1 . 1 87 87 SER CA C 13 56.289 0.257 . 1 . . . . . 87 SER CA . 51678 1 177 . 1 . 1 87 87 SER CB C 13 67.225 0.116 . 1 . . . . . 87 SER CB . 51678 1 178 . 1 . 1 87 87 SER N N 15 119.420 0.270 . 1 . . . . . 87 SER N . 51678 1 179 . 1 . 1 88 88 ILE C C 13 172.950 0.136 . 1 . . . . . 88 ILE C . 51678 1 180 . 1 . 1 88 88 ILE CA C 13 59.940 0.091 . 1 . . . . . 88 ILE CA . 51678 1 181 . 1 . 1 88 88 ILE CB C 13 44.401 0.117 . 1 . . . . . 88 ILE CB . 51678 1 182 . 1 . 1 88 88 ILE CG1 C 13 27.737 0.109 . 1 . . . . . 88 ILE CG1 . 51678 1 183 . 1 . 1 88 88 ILE CG2 C 13 17.606 0.101 . 1 . . . . . 88 ILE CG2 . 51678 1 184 . 1 . 1 88 88 ILE CD1 C 13 16.865 0.093 . 1 . . . . . 88 ILE CD1 . 51678 1 185 . 1 . 1 88 88 ILE N N 15 121.856 0.000 . 1 . . . . . 88 ILE N . 51678 1 186 . 1 . 1 89 89 ALA C C 13 174.597 0.109 . 1 . . . . . 89 ALA C . 51678 1 187 . 1 . 1 89 89 ALA CA C 13 50.146 0.103 . 1 . . . . . 89 ALA CA . 51678 1 188 . 1 . 1 89 89 ALA CB C 13 21.388 0.141 . 1 . . . . . 89 ALA CB . 51678 1 189 . 1 . 1 89 89 ALA N N 15 129.087 0.096 . 1 . . . . . 89 ALA N . 51678 1 190 . 1 . 1 90 90 ALA C C 13 174.187 0.062 . 1 . . . . . 90 ALA C . 51678 1 191 . 1 . 1 90 90 ALA CA C 13 49.589 0.115 . 1 . . . . . 90 ALA CA . 51678 1 192 . 1 . 1 90 90 ALA CB C 13 22.352 0.092 . 1 . . . . . 90 ALA CB . 51678 1 193 . 1 . 1 90 90 ALA N N 15 126.169 0.151 . 1 . . . . . 90 ALA N . 51678 1 194 . 1 . 1 91 91 ALA C C 13 175.327 0.075 . 1 . . . . . 91 ALA C . 51678 1 195 . 1 . 1 91 91 ALA CA C 13 50.418 0.123 . 1 . . . . . 91 ALA CA . 51678 1 196 . 1 . 1 91 91 ALA CB C 13 23.268 0.188 . 1 . . . . . 91 ALA CB . 51678 1 197 . 1 . 1 91 91 ALA N N 15 123.372 0.216 . 1 . . . . . 91 ALA N . 51678 1 198 . 1 . 1 92 92 THR C C 13 173.349 0.090 . 1 . . . . . 92 THR C . 51678 1 199 . 1 . 1 92 92 THR CA C 13 61.244 0.089 . 1 . . . . . 92 THR CA . 51678 1 200 . 1 . 1 92 92 THR CB C 13 70.756 0.126 . 1 . . . . . 92 THR CB . 51678 1 201 . 1 . 1 92 92 THR CG2 C 13 20.763 0.093 . 1 . . . . . 92 THR CG2 . 51678 1 202 . 1 . 1 92 92 THR N N 15 116.977 0.126 . 1 . . . . . 92 THR N . 51678 1 203 . 1 . 1 93 93 GLY C C 13 170.283 0.143 . 1 . . . . . 93 GLY C . 51678 1 204 . 1 . 1 93 93 GLY CA C 13 44.975 0.125 . 1 . . . . . 93 GLY CA . 51678 1 205 . 1 . 1 93 93 GLY N N 15 113.870 0.36 . 1 . . . . . 93 GLY N . 51678 1 206 . 1 . 1 94 94 PHE C C 13 172.815 0.091 . 1 . . . . . 94 PHE C . 51678 1 207 . 1 . 1 94 94 PHE CA C 13 56.806 0.128 . 1 . . . . . 94 PHE CA . 51678 1 208 . 1 . 1 94 94 PHE CB C 13 43.436 0.117 . 1 . . . . . 94 PHE CB . 51678 1 209 . 1 . 1 94 94 PHE CG C 13 137.272 0.194 . 1 . . . . . 94 PHE CG . 51678 1 210 . 1 . 1 94 94 PHE CD1 C 13 131.274 0.115 . 1 . . . . . 94 PHE CD1 . 51678 1 211 . 1 . 1 94 94 PHE CD2 C 13 131.309 0.124 . 1 . . . . . 94 PHE CD2 . 51678 1 212 . 1 . 1 94 94 PHE CE1 C 13 129.399 0.05 . 1 . . . . . 94 PHE CE1 . 51678 1 213 . 1 . 1 94 94 PHE N N 15 129.175 0.159 . 1 . . . . . 94 PHE N . 51678 1 214 . 1 . 1 95 95 VAL C C 13 172.856 0.118 . 1 . . . . . 95 VAL C . 51678 1 215 . 1 . 1 95 95 VAL CA C 13 60.622 0.125 . 1 . . . . . 95 VAL CA . 51678 1 216 . 1 . 1 95 95 VAL CB C 13 35.465 0.120 . 1 . . . . . 95 VAL CB . 51678 1 217 . 1 . 1 95 95 VAL CG1 C 13 20.704 0.082 . 1 . . . . . 95 VAL CG1 . 51678 1 218 . 1 . 1 95 95 VAL CG2 C 13 21.099 0.127 . 1 . . . . . 95 VAL CG2 . 51678 1 219 . 1 . 1 95 95 VAL N N 15 128.475 0.207 . 1 . . . . . 95 VAL N . 51678 1 220 . 1 . 1 96 96 LYS C C 13 175.031 0.076 . 1 . . . . . 96 LYS C . 51678 1 221 . 1 . 1 96 96 LYS CA C 13 54.458 0.120 . 1 . . . . . 96 LYS CA . 51678 1 222 . 1 . 1 96 96 LYS CG C 13 25.678 0.105 . 1 . . . . . 96 LYS CG . 51678 1 223 . 1 . 1 96 96 LYS CD C 13 30.712 0.033 . 1 . . . . . 96 LYS CD . 51678 1 224 . 1 . 1 96 96 LYS CE C 13 41.987 0.094 . 1 . . . . . 96 LYS CE . 51678 1 225 . 1 . 1 96 96 LYS N N 15 128.973 0.177 . 1 . . . . . 96 LYS N . 51678 1 stop_ save_