###################################
# 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 50312
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'huPrP23-144 A117V'
_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 NCA' . . . 50312 1
2 '2D NCACX' . . . 50312 1
3 '3D NCACX' . . . 50312 1
4 '3D NCOCX' . . . 50312 1
5 '3D CANCOCX' . . . 50312 1
6 '2D NCOCX' . . . 50312 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 . 1 101 101 GLY C C 13 171.954 0.000 . 1 . . . . . 119 G CO . 50312 1
2 . 1 . 1 102 102 ALA C C 13 176.891 0.090 . 1 . . . . . 120 A CO . 50312 1
3 . 1 . 1 102 102 ALA CA C 13 51.391 0.093 . 1 . . . . . 120 A CA . 50312 1
4 . 1 . 1 102 102 ALA CB C 13 25.566 0.076 . 1 . . . . . 120 A CB . 50312 1
5 . 1 . 1 102 102 ALA N N 15 124.041 0.159 . 1 . . . . . 120 A N . 50312 1
6 . 1 . 1 103 103 VAL C C 13 175.610 0.257 . 1 . . . . . 121 V CO . 50312 1
7 . 1 . 1 103 103 VAL CA C 13 62.409 0.130 . 1 . . . . . 121 V CA . 50312 1
8 . 1 . 1 103 103 VAL CB C 13 40.118 0.046 . 1 . . . . . 121 V CB . 50312 1
9 . 1 . 1 103 103 VAL CG1 C 13 18.245 0.043 . 2 . . . . . 121 V CG1 . 50312 1
10 . 1 . 1 103 103 VAL N N 15 121.690 0.258 . 1 . . . . . 121 V N . 50312 1
11 . 1 . 1 104 104 VAL C C 13 176.446 0.102 . 1 . . . . . 122 V CO . 50312 1
12 . 1 . 1 104 104 VAL CA C 13 61.125 0.145 . 1 . . . . . 122 V CA . 50312 1
13 . 1 . 1 104 104 VAL CB C 13 35.833 0.069 . 1 . . . . . 122 V CB . 50312 1
14 . 1 . 1 104 104 VAL CG1 C 13 21.654 0.000 . 2 . . . . . 122 V CG1 . 50312 1
15 . 1 . 1 104 104 VAL CG2 C 13 21.300 0.019 . 2 . . . . . 122 V CG2 . 50312 1
16 . 1 . 1 104 104 VAL N N 15 126.363 0.144 . 1 . . . . . 122 V N . 50312 1
17 . 1 . 1 105 105 GLY C C 13 172.888 0.072 . 1 . . . . . 123 G CO . 50312 1
18 . 1 . 1 105 105 GLY CA C 13 46.429 0.062 . 1 . . . . . 123 G CA . 50312 1
19 . 1 . 1 105 105 GLY N N 15 112.068 0.140 . 1 . . . . . 123 G N . 50312 1
20 . 1 . 1 106 106 GLY C C 13 172.083 0.189 . 1 . . . . . 124 G CO . 50312 1
21 . 1 . 1 106 106 GLY CA C 13 45.710 0.079 . 1 . . . . . 124 G CA . 50312 1
22 . 1 . 1 106 106 GLY N N 15 109.761 0.132 . 1 . . . . . 124 G N . 50312 1
23 . 1 . 1 107 107 LEU C C 13 177.500 0.054 . 1 . . . . . 125 L CO . 50312 1
24 . 1 . 1 107 107 LEU CA C 13 53.252 0.024 . 1 . . . . . 125 L CA . 50312 1
25 . 1 . 1 107 107 LEU CB C 13 45.402 0.000 . 1 . . . . . 125 L CB . 50312 1
26 . 1 . 1 107 107 LEU N N 15 128.970 0.132 . 1 . . . . . 125 L N . 50312 1
27 . 1 . 1 108 108 GLY C C 13 174.344 0.071 . 1 . . . . . 126 G CO . 50312 1
28 . 1 . 1 108 108 GLY CA C 13 48.674 0.109 . 1 . . . . . 126 G CA . 50312 1
29 . 1 . 1 108 108 GLY N N 15 115.756 0.062 . 1 . . . . . 126 G N . 50312 1
30 . 1 . 1 109 109 GLY C C 13 171.048 0.076 . 1 . . . . . 127 G CO . 50312 1
31 . 1 . 1 109 109 GLY CA C 13 45.334 0.091 . 1 . . . . . 127 G CA . 50312 1
32 . 1 . 1 109 109 GLY N N 15 99.912 0.068 . 1 . . . . . 127 G N . 50312 1
33 . 1 . 1 110 110 TYR C C 13 176.971 0.085 . 1 . . . . . 128 Y CO . 50312 1
34 . 1 . 1 110 110 TYR CA C 13 55.803 0.066 . 1 . . . . . 128 Y CA . 50312 1
35 . 1 . 1 110 110 TYR CB C 13 43.213 0.051 . 1 . . . . . 128 Y CB . 50312 1
36 . 1 . 1 110 110 TYR N N 15 117.395 0.082 . 1 . . . . . 128 Y N . 50312 1
37 . 1 . 1 111 111 MET C C 13 173.627 0.091 . 1 . . . . . 129 M CO . 50312 1
38 . 1 . 1 111 111 MET CA C 13 58.057 0.072 . 1 . . . . . 129 M CA . 50312 1
39 . 1 . 1 111 111 MET CB C 13 34.075 0.009 . 1 . . . . . 129 M CB . 50312 1
40 . 1 . 1 111 111 MET CG C 13 29.679 0.061 . 1 . . . . . 129 M CG . 50312 1
41 . 1 . 1 111 111 MET N N 15 116.313 0.076 . 1 . . . . . 129 M N . 50312 1
42 . 1 . 1 112 112 LEU C C 13 177.775 0.126 . 1 . . . . . 130 L CO . 50312 1
43 . 1 . 1 112 112 LEU CA C 13 53.351 0.071 . 1 . . . . . 130 L CA . 50312 1
44 . 1 . 1 112 112 LEU CB C 13 43.211 0.036 . 1 . . . . . 130 L CB . 50312 1
45 . 1 . 1 112 112 LEU CG C 13 29.626 0.070 . 1 . . . . . 130 L CG . 50312 1
46 . 1 . 1 112 112 LEU CD1 C 13 27.605 0.044 . 2 . . . . . 130 L CD . 50312 1
47 . 1 . 1 112 112 LEU CD2 C 13 27.605 0.044 . 2 . . . . . 130 L CD . 50312 1
48 . 1 . 1 112 112 LEU N N 15 124.770 0.098 . 1 . . . . . 130 L N . 50312 1
49 . 1 . 1 113 113 GLY C C 13 172.884 0.097 . 1 . . . . . 131 G CO . 50312 1
50 . 1 . 1 113 113 GLY CA C 13 47.224 0.101 . 1 . . . . . 131 G CA . 50312 1
51 . 1 . 1 113 113 GLY N N 15 109.768 0.083 . 1 . . . . . 131 G N . 50312 1
52 . 1 . 1 114 114 SER C C 13 174.064 0.058 . 1 . . . . . 132 S CO . 50312 1
53 . 1 . 1 114 114 SER CA C 13 57.453 0.087 . 1 . . . . . 132 S CA . 50312 1
54 . 1 . 1 114 114 SER CB C 13 67.036 0.084 . 1 . . . . . 132 S CB . 50312 1
55 . 1 . 1 114 114 SER N N 15 108.254 0.061 . 1 . . . . . 132 S N . 50312 1
56 . 1 . 1 115 115 ALA C C 13 179.551 0.078 . 1 . . . . . 133 A CO . 50312 1
57 . 1 . 1 115 115 ALA CA C 13 51.497 0.073 . 1 . . . . . 133 A CA . 50312 1
58 . 1 . 1 115 115 ALA CB C 13 25.044 0.085 . 1 . . . . . 133 A CB . 50312 1
59 . 1 . 1 115 115 ALA N N 15 121.889 0.071 . 1 . . . . . 133 A N . 50312 1
60 . 1 . 1 116 116 MET C C 13 174.810 0.066 . 1 . . . . . 134 M CO . 50312 1
61 . 1 . 1 116 116 MET CA C 13 54.522 0.075 . 1 . . . . . 134 M CA . 50312 1
62 . 1 . 1 116 116 MET CB C 13 39.050 0.032 . 1 . . . . . 134 M CB . 50312 1
63 . 1 . 1 116 116 MET CG C 13 34.494 0.003 . 1 . . . . . 134 M CG . 50312 1
64 . 1 . 1 116 116 MET N N 15 120.889 0.100 . 1 . . . . . 134 M N . 50312 1
65 . 1 . 1 117 117 SER C C 13 172.891 0.056 . 1 . . . . . 135 S CO . 50312 1
66 . 1 . 1 117 117 SER CA C 13 54.450 0.050 . 1 . . . . . 135 S CA . 50312 1
67 . 1 . 1 117 117 SER CB C 13 65.574 0.063 . 1 . . . . . 135 S CB . 50312 1
68 . 1 . 1 117 117 SER N N 15 118.057 0.106 . 1 . . . . . 135 S N . 50312 1
69 . 1 . 1 118 118 ARG C C 13 173.092 0.000 . 1 . . . . . 136 R CO . 50312 1
70 . 1 . 1 118 118 ARG CA C 13 56.391 0.058 . 1 . . . . . 136 R CA . 50312 1
71 . 1 . 1 118 118 ARG CB C 13 28.623 0.208 . 1 . . . . . 136 R CB . 50312 1
72 . 1 . 1 118 118 ARG CG C 13 18.293 0.000 . 1 . . . . . 136 R CG . 50312 1
73 . 1 . 1 118 118 ARG CD C 13 40.108 0.000 . 1 . . . . . 136 R CD . 50312 1
74 . 1 . 1 118 118 ARG N N 15 121.708 0.094 . 1 . . . . . 136 R N . 50312 1
75 . 1 . 1 119 119 PRO C C 13 175.991 0.105 . 1 . . . . . 137 P CO . 50312 1
76 . 1 . 1 119 119 PRO CA C 13 62.382 0.135 . 1 . . . . . 137 P CA . 50312 1
77 . 1 . 1 119 119 PRO CB C 13 34.484 0.000 . 1 . . . . . 137 P CB . 50312 1
78 . 1 . 1 119 119 PRO CD C 13 51.563 0.000 . 1 . . . . . 137 P CD . 50312 1
79 . 1 . 1 120 120 ILE C C 13 174.937 0.042 . 1 . . . . . 138 I CO . 50312 1
80 . 1 . 1 120 120 ILE CA C 13 61.311 0.070 . 1 . . . . . 138 I CA . 50312 1
81 . 1 . 1 120 120 ILE CB C 13 42.529 0.063 . 1 . . . . . 138 I CB . 50312 1
82 . 1 . 1 120 120 ILE CG1 C 13 29.137 0.007 . 1 . . . . . 138 I CG1 . 50312 1
83 . 1 . 1 120 120 ILE CG2 C 13 19.086 0.020 . 1 . . . . . 138 I CG2 . 50312 1
84 . 1 . 1 120 120 ILE CD1 C 13 15.853 0.030 . 1 . . . . . 138 I CD . 50312 1
85 . 1 . 1 120 120 ILE N N 15 125.549 0.167 . 1 . . . . . 138 I N . 50312 1
86 . 1 . 1 121 121 ILE C C 13 173.855 0.000 . 1 . . . . . 139 I CO . 50312 1
87 . 1 . 1 121 121 ILE CA C 13 62.719 0.187 . 1 . . . . . 139 I CA . 50312 1
88 . 1 . 1 121 121 ILE CB C 13 35.297 0.028 . 1 . . . . . 139 I CB . 50312 1
89 . 1 . 1 121 121 ILE CG1 C 13 28.941 0.014 . 1 . . . . . 139 I CG1 . 50312 1
90 . 1 . 1 121 121 ILE N N 15 127.914 0.136 . 1 . . . . . 139 I N . 50312 1
stop_
save_