################################### # 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 50583 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Combined_SIB1(11-100) _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 1H-15N HSQC' . . . 50583 1 2 '3D CBCA(CO)NH' . . . 50583 1 3 '3D HNCACB' . . . 50583 1 4 '3D HNCA' . . . 50583 1 5 '3D HN(CO)CA' . . . 50583 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 . . 50583 1 2 $software_2 . . 50583 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 4 4 SER H H 1 8.539 . . . . . . . . 4 S HN . 50583 1 2 . 1 . 1 4 4 SER CA C 13 58.506 . . . . . . . . 4 S CA . 50583 1 3 . 1 . 1 4 4 SER CB C 13 64.011 . . . . . . . . 4 S CB . 50583 1 4 . 1 . 1 4 4 SER N N 15 118.815 . . . . . . . . 4 S N . 50583 1 5 . 1 . 1 5 5 LEU H H 1 8.341 . . . . . . . . 5 L HN . 50583 1 6 . 1 . 1 5 5 LEU CA C 13 55.309 . . . . . . . . 5 L CA . 50583 1 7 . 1 . 1 5 5 LEU CB C 13 42.336 . . . . . . . . 5 L CB . 50583 1 8 . 1 . 1 5 5 LEU N N 15 124.249 . . . . . . . . 5 L N . 50583 1 9 . 1 . 1 6 6 ASP H H 1 8.197 . . . . . . . . 6 D HN . 50583 1 10 . 1 . 1 6 6 ASP CA C 13 54.753 . . . . . . . . 6 D CA . 50583 1 11 . 1 . 1 6 6 ASP CB C 13 41.241 . . . . . . . . 6 D CB . 50583 1 12 . 1 . 1 6 6 ASP N N 15 120.841 . . . . . . . . 6 D N . 50583 1 13 . 1 . 1 7 7 LYS H H 1 8.163 . . . . . . . . 7 K HN . 50583 1 14 . 1 . 1 7 7 LYS CA C 13 56.370 . . . . . . . . 7 K CA . 50583 1 15 . 1 . 1 7 7 LYS CB C 13 32.844 . . . . . . . . 7 K CB . 50583 1 16 . 1 . 1 7 7 LYS N N 15 121.680 . . . . . . . . 7 K N . 50583 1 17 . 1 . 1 8 8 LYS H H 1 8.224 . . . . . . . . 8 K HN . 50583 1 18 . 1 . 1 8 8 LYS CA C 13 56.363 . . . . . . . . 8 K CA . 50583 1 19 . 1 . 1 8 8 LYS CB C 13 32.844 . . . . . . . . 8 K CB . 50583 1 20 . 1 . 1 8 8 LYS N N 15 121.927 . . . . . . . . 8 K N . 50583 1 21 . 1 . 1 9 9 LYS H H 1 8.279 . . . . . . . . 9 K HN . 50583 1 22 . 1 . 1 9 9 LYS CA C 13 54.348 . . . . . . . . 9 K CA . 50583 1 23 . 1 . 1 9 9 LYS CB C 13 32.528 . . . . . . . . 9 K CB . 50583 1 24 . 1 . 1 9 9 LYS N N 15 121.111 . . . . . . . . 9 K N . 50583 1 25 . 1 . 1 10 10 PRO CA C 13 62.673 . . . . . . . . 10 P CA . 50583 1 26 . 1 . 1 10 10 PRO CB C 13 32.240 . . . . . . . . 10 P CB . 50583 1 27 . 1 . 1 11 11 SER H H 1 8.486 . . . . . . . . 11 S HN . 50583 1 28 . 1 . 1 11 11 SER CA C 13 56.469 . . . . . . . . 11 S CA . 50583 1 29 . 1 . 1 11 11 SER CB C 13 63.610 . . . . . . . . 11 S CB . 50583 1 30 . 1 . 1 11 11 SER N N 15 118.186 . . . . . . . . 11 S N . 50583 1 31 . 1 . 1 12 12 PRO CA C 13 63.010 . . . . . . . . 12 P CA . 50583 1 32 . 1 . 1 12 12 PRO CB C 13 31.983 . . . . . . . . 12 P CB . 50583 1 33 . 1 . 1 13 13 VAL H H 1 8.190 . . . . . . . . 13 V HN . 50583 1 34 . 1 . 1 13 13 VAL CA C 13 62.385 . . . . . . . . 13 V CA . 50583 1 35 . 1 . 1 13 13 VAL CB C 13 32.859 . . . . . . . . 13 V CB . 50583 1 36 . 1 . 1 13 13 VAL N N 15 120.381 . . . . . . . . 13 V N . 50583 1 37 . 1 . 1 14 14 SER H H 1 8.370 . . . . . . . . 14 S HN . 50583 1 38 . 1 . 1 14 14 SER CA C 13 58.256 . . . . . . . . 14 S CA . 50583 1 39 . 1 . 1 14 14 SER CB C 13 63.886 . . . . . . . . 14 S CB . 50583 1 40 . 1 . 1 14 14 SER N N 15 119.858 . . . . . . . . 14 S N . 50583 1 41 . 1 . 1 15 15 ARG H H 1 8.415 . . . . . . . . 15 R HN . 50583 1 42 . 1 . 1 15 15 ARG CA C 13 56.126 . . . . . . . . 15 R CA . 50583 1 43 . 1 . 1 15 15 ARG CB C 13 30.862 . . . . . . . . 15 R CB . 50583 1 44 . 1 . 1 15 15 ARG N N 15 123.833 . . . . . . . . 15 R N . 50583 1 45 . 1 . 1 16 16 LYS H H 1 8.347 . . . . . . . . 16 K HN . 50583 1 46 . 1 . 1 16 16 LYS CA C 13 56.258 . . . . . . . . 16 K CA . 50583 1 47 . 1 . 1 16 16 LYS CB C 13 33.477 . . . . . . . . 16 K CB . 50583 1 48 . 1 . 1 16 16 LYS N N 15 122.857 . . . . . . . . 16 K N . 50583 1 49 . 1 . 1 17 17 SER H H 1 8.403 . . . . . . . . 17 S HN . 50583 1 50 . 1 . 1 17 17 SER CA C 13 656.505 . . . . . . . . 17 S CA . 50583 1 51 . 1 . 1 17 17 SER CB C 13 63.636 . . . . . . . . 17 S CB . 50583 1 52 . 1 . 1 17 17 SER N N 15 118.946 . . . . . . . . 17 S N . 50583 1 53 . 1 . 1 18 18 PRO CA C 13 63.113 . . . . . . . . 18 P CA . 50583 1 54 . 1 . 1 18 18 PRO CB C 13 32.106 . . . . . . . . 18 P CB . 50583 1 55 . 1 . 1 19 19 LYS H H 1 8.342 . . . . . . . . 19 K HN . 50583 1 56 . 1 . 1 19 19 LYS CA C 13 56.680 . . . . . . . . 19 K CA . 50583 1 57 . 1 . 1 19 19 LYS CB C 13 33.055 . . . . . . . . 19 K CB . 50583 1 58 . 1 . 1 19 19 LYS N N 15 121.424 . . . . . . . . 19 K N . 50583 1 59 . 1 . 1 20 20 GLN H H 1 8.338 . . . . . . . . 20 Q HN . 50583 1 60 . 1 . 1 20 20 GLN CA C 13 55.941 . . . . . . . . 20 Q CA . 50583 1 61 . 1 . 1 20 20 GLN CB C 13 29.996 . . . . . . . . 20 Q CB . 50583 1 62 . 1 . 1 20 20 GLN N N 15 121.871 . . . . . . . . 20 Q N . 50583 1 63 . 1 . 1 21 21 LYS H H 1 8.430 . . . . . . . . 21 K HN . 50583 1 64 . 1 . 1 21 21 LYS CA C 13 56.258 . . . . . . . . 21 K CA . 50583 1 65 . 1 . 1 21 21 LYS CB C 13 33.371 . . . . . . . . 21 K CB . 50583 1 66 . 1 . 1 21 21 LYS N N 15 123.843 . . . . . . . . 21 K N . 50583 1 67 . 1 . 1 22 22 LYS H H 1 8.359 . . . . . . . . 22 K HN . 50583 1 68 . 1 . 1 22 22 LYS CA C 13 56.469 . . . . . . . . 22 K CA . 50583 1 69 . 1 . 1 22 22 LYS CB C 13 33.371 . . . . . . . . 22 K CB . 50583 1 70 . 1 . 1 22 22 LYS N N 15 123.479 . . . . . . . . 22 K N . 50583 1 71 . 1 . 1 23 23 LYS H H 1 8.483 . . . . . . . . 23 K HN . 50583 1 72 . 1 . 1 23 23 LYS HA H 1 33.308 . . . . . . . . 23 K HA . 50583 1 73 . 1 . 1 23 23 LYS CA C 13 56.498 . . . . . . . . 23 K CA . 50583 1 74 . 1 . 1 23 23 LYS N N 15 123.948 . . . . . . . . 23 K N . 50583 1 75 . 1 . 1 24 24 THR H H 1 8.307 . . . . . . . . 24 T HN . 50583 1 76 . 1 . 1 24 24 THR CA C 13 61.971 . . . . . . . . 24 T CA . 50583 1 77 . 1 . 1 24 24 THR CB C 13 69.930 . . . . . . . . 24 T CB . 50583 1 78 . 1 . 1 24 24 THR N N 15 116.496 . . . . . . . . 24 T N . 50583 1 79 . 1 . 1 25 25 THR H H 1 8.257 . . . . . . . . 25 T HN . 50583 1 80 . 1 . 1 25 25 THR CA C 13 61.737 . . . . . . . . 25 T CA . 50583 1 81 . 1 . 1 25 25 THR CB C 13 70.048 . . . . . . . . 25 T CB . 50583 1 82 . 1 . 1 25 25 THR N N 15 116.450 . . . . . . . . 25 T N . 50583 1 83 . 1 . 1 26 26 SER H H 1 8.433 . . . . . . . . 26 S HN . 50583 1 84 . 1 . 1 26 26 SER CA C 13 58.342 . . . . . . . . 26 S CA . 50583 1 85 . 1 . 1 26 26 SER CB C 13 64.078 . . . . . . . . 26 S CB . 50583 1 86 . 1 . 1 26 26 SER N N 15 118.351 . . . . . . . . 26 S N . 50583 1 87 . 1 . 1 27 27 THR H H 1 8.246 . . . . . . . . 27 T HN . 50583 1 88 . 1 . 1 27 27 THR CA C 13 62.088 . . . . . . . . 27 T CA . 50583 1 89 . 1 . 1 27 27 THR CB C 13 69.813 . . . . . . . . 27 T CB . 50583 1 90 . 1 . 1 27 27 THR N N 15 115.614 . . . . . . . . 27 T N . 50583 1 91 . 1 . 1 28 28 ASN H H 1 8.426 . . . . . . . . 28 N HN . 50583 1 92 . 1 . 1 28 28 ASN CA C 13 53.305 . . . . . . . . 28 N CA . 50583 1 93 . 1 . 1 28 28 ASN CB C 13 39.172 . . . . . . . . 28 N CB . 50583 1 94 . 1 . 1 28 28 ASN N N 15 121.135 . . . . . . . . 28 N N . 50583 1 95 . 1 . 1 29 29 LYS H H 1 8.226 . . . . . . . . 29 K HN . 50583 1 96 . 1 . 1 29 29 LYS CA C 13 54.464 . . . . . . . . 29 K CA . 50583 1 97 . 1 . 1 29 29 LYS CB C 13 32.633 . . . . . . . . 29 K CB . 50583 1 98 . 1 . 1 29 29 LYS N N 15 122.887 . . . . . . . . 29 K N . 50583 1 99 . 1 . 1 30 30 PRO CA C 13 62.902 . . . . . . . . 30 P CA . 50583 1 100 . 1 . 1 30 30 PRO CB C 13 32.000 . . . . . . . . 30 P CB . 50583 1 101 . 1 . 1 31 31 ILE H H 1 8.250 . . . . . . . . 31 I HN . 50583 1 102 . 1 . 1 31 31 ILE CA C 13 61.109 . . . . . . . . 31 I CA . 50583 1 103 . 1 . 1 31 31 ILE CB C 13 39.067 . . . . . . . . 31 I CB . 50583 1 104 . 1 . 1 31 31 ILE N N 15 121.566 . . . . . . . . 31 I N . 50583 1 105 . 1 . 1 32 32 LYS H H 1 8.357 . . . . . . . . 32 K HN . 50583 1 106 . 1 . 1 32 32 LYS CA C 13 56.179 . . . . . . . . 32 K CA . 50583 1 107 . 1 . 1 32 32 LYS CB C 13 33.308 . . . . . . . . 32 K CB . 50583 1 108 . 1 . 1 32 32 LYS N N 15 125.839 . . . . . . . . 32 K N . 50583 1 109 . 1 . 1 33 33 VAL H H 1 8.141 . . . . . . . . 33 V HN . 50583 1 110 . 1 . 1 33 33 VAL CA C 13 62.164 . . . . . . . . 33 V CA . 50583 1 111 . 1 . 1 33 33 VAL CB C 13 33.266 . . . . . . . . 33 V CB . 50583 1 112 . 1 . 1 33 33 VAL N N 15 122.414 . . . . . . . . 33 V N . 50583 1 113 . 1 . 1 34 34 ARG H H 1 8.346 . . . . . . . . 34 R HN . 50583 1 114 . 1 . 1 34 34 ARG CA C 13 55.626 . . . . . . . . 34 R CA . 50583 1 115 . 1 . 1 34 34 ARG CB C 13 31.684 . . . . . . . . 34 R CB . 50583 1 116 . 1 . 1 34 34 ARG N N 15 125.048 . . . . . . . . 34 R N . 50583 1 117 . 1 . 1 61 61 ALA H H 1 7.917 . . . . . . . . 61 A HN . 50583 1 118 . 1 . 1 61 61 ALA CA C 13 52.988 . . . . . . . . 61 A CA . 50583 1 119 . 1 . 1 61 61 ALA CB C 13 19.691 . . . . . . . . 61 A CB . 50583 1 120 . 1 . 1 61 61 ALA N N 15 124.154 . . . . . . . . 61 A N . 50583 1 121 . 1 . 1 62 62 VAL H H 1 8.135 . . . . . . . . 62 V HN . 50583 1 122 . 1 . 1 62 62 VAL CA C 13 62.135 . . . . . . . . 62 V CA . 50583 1 123 . 1 . 1 62 62 VAL CB C 13 33.096 . . . . . . . . 62 V CB . 50583 1 124 . 1 . 1 62 62 VAL N N 15 119.213 . . . . . . . . 62 V N . 50583 1 125 . 1 . 1 63 63 ASP H H 1 8.347 . . . . . . . . 63 D HN . 50583 1 126 . 1 . 1 63 63 ASP CA C 13 54.610 . . . . . . . . 63 D CA . 50583 1 127 . 1 . 1 63 63 ASP N N 15 123.473 . . . . . . . . 63 D N . 50583 1 128 . 1 . 1 65 65 GLN H H 1 8.409 . . . . . . . . 65 Q HN . 50583 1 129 . 1 . 1 65 65 GLN CA C 13 53.410 . . . . . . . . 65 Q CA . 50583 1 130 . 1 . 1 65 65 GLN CB C 13 29.680 . . . . . . . . 65 Q CB . 50583 1 131 . 1 . 1 65 65 GLN N N 15 122.138 . . . . . . . . 65 Q N . 50583 1 132 . 1 . 1 67 67 GLU H H 1 8.400 . . . . . . . . 67 E HN . 50583 1 133 . 1 . 1 67 67 GLU CA C 13 54.465 . . . . . . . . 67 E CA . 50583 1 134 . 1 . 1 67 67 GLU CB C 13 29.891 . . . . . . . . 67 E CB . 50583 1 135 . 1 . 1 67 67 GLU N N 15 122.366 . . . . . . . . 67 E N . 50583 1 136 . 1 . 1 68 68 PRO CA C 13 62.760 . . . . . . . . 68 P CA . 50583 1 137 . 1 . 1 68 68 PRO CB C 13 31.983 . . . . . . . . 68 P CB . 50583 1 138 . 1 . 1 69 69 ILE H H 1 8.079 . . . . . . . . 69 I HN . 50583 1 139 . 1 . 1 69 69 ILE CA C 13 60.758 . . . . . . . . 69 I CA . 50583 1 140 . 1 . 1 69 69 ILE CB C 13 39.240 . . . . . . . . 69 I CB . 50583 1 141 . 1 . 1 69 69 ILE N N 15 120.424 . . . . . . . . 69 I N . 50583 1 142 . 1 . 1 70 70 TYR H H 1 8.312 . . . . . . . . 70 Y HN . 50583 1 143 . 1 . 1 70 70 TYR CA C 13 57.840 . . . . . . . . 70 Y CA . 50583 1 144 . 1 . 1 70 70 TYR CB C 13 39.172 . . . . . . . . 70 Y CB . 50583 1 145 . 1 . 1 70 70 TYR N N 15 125.020 . . . . . . . . 70 Y N . 50583 1 146 . 1 . 1 71 71 SER H H 1 8.193 . . . . . . . . 71 S HN . 50583 1 147 . 1 . 1 71 71 SER CA C 13 55.379 . . . . . . . . 71 S CA . 50583 1 148 . 1 . 1 71 71 SER CB C 13 63.886 . . . . . . . . 71 S CB . 50583 1 149 . 1 . 1 71 71 SER N N 15 120.030 . . . . . . . . 71 S N . 50583 1 150 . 1 . 1 72 72 PRO CA C 13 63.141 . . . . . . . . 72 P CA . 50583 1 151 . 1 . 1 72 72 PRO CB C 13 32.132 . . . . . . . . 72 P CB . 50583 1 152 . 1 . 1 73 73 SER H H 1 8.364 . . . . . . . . 73 S HN . 50583 1 153 . 1 . 1 73 73 SER CA C 13 58.576 . . . . . . . . 73 S CA . 50583 1 154 . 1 . 1 73 73 SER CB C 13 64.195 . . . . . . . . 73 S CB . 50583 1 155 . 1 . 1 73 73 SER N N 15 115.703 . . . . . . . . 73 S N . 50583 1 156 . 1 . 1 74 74 SER H H 1 8.329 . . . . . . . . 74 S HN . 50583 1 157 . 1 . 1 74 74 SER CA C 13 58.576 . . . . . . . . 74 S CA . 50583 1 158 . 1 . 1 74 74 SER CB C 13 63.961 . . . . . . . . 74 S CB . 50583 1 159 . 1 . 1 74 74 SER N N 15 117.710 . . . . . . . . 74 S N . 50583 1 160 . 1 . 1 75 75 ASP H H 1 8.283 . . . . . . . . 75 D HN . 50583 1 161 . 1 . 1 75 75 ASP CA C 13 54.570 . . . . . . . . 75 D CA . 50583 1 162 . 1 . 1 75 75 ASP CB C 13 41.387 . . . . . . . . 75 D CB . 50583 1 163 . 1 . 1 75 75 ASP N N 15 122.024 . . . . . . . . 75 D N . 50583 1 164 . 1 . 1 76 76 ASP H H 1 8.143 . . . . . . . . 76 D HN . 50583 1 165 . 1 . 1 76 76 ASP CA C 13 54.378 . . . . . . . . 76 D CA . 50583 1 166 . 1 . 1 76 76 ASP CB C 13 41.241 . . . . . . . . 76 D CB . 50583 1 167 . 1 . 1 76 76 ASP N N 15 120.459 . . . . . . . . 76 D N . 50583 1 168 . 1 . 1 77 77 HIS CA C 13 54.662 . . . . . . . . 77 H CA . 50583 1 169 . 1 . 1 77 77 HIS CB C 13 41.276 . . . . . . . . 77 H CB . 50583 1 170 . 1 . 1 78 78 ASN H H 1 8.424 . . . . . . . . 78 N HN . 50583 1 171 . 1 . 1 78 78 ASN CA C 13 53.512 . . . . . . . . 78 N CA . 50583 1 172 . 1 . 1 78 78 ASN CB C 13 38.767 . . . . . . . . 78 N CB . 50583 1 173 . 1 . 1 78 78 ASN N N 15 118.936 . . . . . . . . 78 N N . 50583 1 174 . 1 . 1 79 79 LEU H H 1 8.168 . . . . . . . . 79 L HN . 50583 1 175 . 1 . 1 79 79 LEU CA C 13 54.992 . . . . . . . . 79 L CA . 50583 1 176 . 1 . 1 79 79 LEU CB C 13 42.547 . . . . . . . . 79 L CB . 50583 1 177 . 1 . 1 79 79 LEU N N 15 122.156 . . . . . . . . 79 L N . 50583 1 178 . 1 . 1 80 80 SER H H 1 8.249 . . . . . . . . 80 S HN . 50583 1 179 . 1 . 1 80 80 SER CA C 13 56.821 . . . . . . . . 80 S CA . 50583 1 180 . 1 . 1 80 80 SER CB C 13 63.493 . . . . . . . . 80 S CB . 50583 1 181 . 1 . 1 80 80 SER N N 15 117.962 . . . . . . . . 80 S N . 50583 1 182 . 1 . 1 82 82 PRO CA C 13 62.902 . . . . . . . . 82 P CA . 50583 1 183 . 1 . 1 82 82 PRO CB C 13 32.000 . . . . . . . . 82 P CB . 50583 1 184 . 1 . 1 83 83 ALA H H 1 8.373 . . . . . . . . 83 A HN . 50583 1 185 . 1 . 1 83 83 ALA CA C 13 52.677 . . . . . . . . 83 A CA . 50583 1 186 . 1 . 1 83 83 ALA CB C 13 19.555 . . . . . . . . 83 A CB . 50583 1 187 . 1 . 1 83 83 ALA N N 15 124.179 . . . . . . . . 83 A N . 50583 1 188 . 1 . 1 84 84 GLU H H 1 8.413 . . . . . . . . 84 E HN . 50583 1 189 . 1 . 1 84 84 GLU CA C 13 56.755 . . . . . . . . 84 E CA . 50583 1 190 . 1 . 1 84 84 GLU CB C 13 30.607 . . . . . . . . 84 E CB . 50583 1 191 . 1 . 1 84 84 GLU N N 15 119.727 . . . . . . . . 84 E N . 50583 1 192 . 1 . 1 85 85 ASN H H 1 8.417 . . . . . . . . 85 N HN . 50583 1 193 . 1 . 1 85 85 ASN CA C 13 53.377 . . . . . . . . 85 N CA . 50583 1 194 . 1 . 1 85 85 ASN CB C 13 38.989 . . . . . . . . 85 N CB . 50583 1 195 . 1 . 1 85 85 ASN N N 15 119.282 . . . . . . . . 85 N N . 50583 1 196 . 1 . 1 86 86 LEU H H 1 8.130 . . . . . . . . 86 L HN . 50583 1 197 . 1 . 1 86 86 LEU CA C 13 54.992 . . . . . . . . 86 L CA . 50583 1 198 . 1 . 1 86 86 LEU CB C 13 42.547 . . . . . . . . 86 L CB . 50583 1 199 . 1 . 1 86 86 LEU N N 15 122.408 . . . . . . . . 86 L N . 50583 1 200 . 1 . 1 87 87 ALA H H 1 8.135 . . . . . . . . 87 A HN . 50583 1 201 . 1 . 1 87 87 ALA CA C 13 50.879 . . . . . . . . 87 A CA . 50583 1 202 . 1 . 1 87 87 ALA CB C 13 18.079 . . . . . . . . 87 A CB . 50583 1 203 . 1 . 1 87 87 ALA N N 15 125.695 . . . . . . . . 87 A N . 50583 1 204 . 1 . 1 88 88 PRO CA C 13 63.219 . . . . . . . . 88 P CA . 50583 1 205 . 1 . 1 88 88 PRO CB C 13 32.000 . . . . . . . . 88 P CB . 50583 1 206 . 1 . 1 89 89 ARG H H 1 8.400 . . . . . . . . 89 R HN . 50583 1 207 . 1 . 1 89 89 ARG CA C 13 56.574 . . . . . . . . 89 R CA . 50583 1 208 . 1 . 1 89 89 ARG CB C 13 30.524 . . . . . . . . 89 R CB . 50583 1 209 . 1 . 1 89 89 ARG N N 15 121.132 . . . . . . . . 89 R N . 50583 1 210 . 1 . 1 90 90 VAL H H 1 8.103 . . . . . . . . 90 V HN . 50583 1 211 . 1 . 1 90 90 VAL CA C 13 62.260 . . . . . . . . 90 V CA . 50583 1 212 . 1 . 1 90 90 VAL CB C 13 32.850 . . . . . . . . 90 V CB . 50583 1 213 . 1 . 1 90 90 VAL N N 15 121.456 . . . . . . . . 90 V N . 50583 1 214 . 1 . 1 91 91 LEU H H 1 8.275 . . . . . . . . 91 L HN . 50583 1 215 . 1 . 1 91 91 LEU CA C 13 55.009 . . . . . . . . 91 L CA . 50583 1 216 . 1 . 1 91 91 LEU CB C 13 42.350 . . . . . . . . 91 L CB . 50583 1 217 . 1 . 1 91 91 LEU N N 15 125.977 . . . . . . . . 91 L N . 50583 1 stop_ save_