###################################
# 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_1H_15N_assignments_pH_4.0
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 1H_15N_assignments_pH_4.0
_Assigned_chem_shift_list.Entry_ID 15552
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $pH_4.0
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 'Assignments for all observed 1H and 15N resonances at pH 4.0'
_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' . . . 15552 1
2 '3D 1H-15N NOESY' . . . 15552 1
3 '3D 1H-15N TOCSY' . . . 15552 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 $SPARKY . . 15552 1
2 $NMRPipe . . 15552 1
3 $Omega_Spectrometer_Operating_Software . . 15552 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 3 3 LYS H H 1 8.461 0.002 . 1 . . . . 716 K HN . 15552 1
2 . 1 1 3 3 LYS HA H 1 4.294 0.003 . 1 . . . . 716 K HA . 15552 1
3 . 1 1 3 3 LYS HB2 H 1 1.769 0.004 . 2 . . . . 716 K QB . 15552 1
4 . 1 1 3 3 LYS HB3 H 1 1.769 0.004 . 2 . . . . 716 K QB . 15552 1
5 . 1 1 3 3 LYS HG2 H 1 1.483 0.000 . 2 . . . . 716 K HG2 . 15552 1
6 . 1 1 3 3 LYS HG3 H 1 1.430 0.000 . 2 . . . . 716 K HG3 . 15552 1
7 . 1 1 3 3 LYS N N 15 122.187 0.003 . 1 . . . . 716 K N . 15552 1
8 . 1 1 4 4 LEU H H 1 8.254 0.002 . 1 . . . . 717 L HN . 15552 1
9 . 1 1 4 4 LEU HA H 1 4.385 0.000 . 1 . . . . 717 L HA . 15552 1
10 . 1 1 4 4 LEU HB2 H 1 1.586 0.000 . 2 . . . . 717 L QB . 15552 1
11 . 1 1 4 4 LEU HB3 H 1 1.586 0.000 . 2 . . . . 717 L QB . 15552 1
12 . 1 1 4 4 LEU HD11 H 1 0.884 0.000 . 2 . . . . 717 L QQD . 15552 1
13 . 1 1 4 4 LEU HD12 H 1 0.884 0.000 . 2 . . . . 717 L QQD . 15552 1
14 . 1 1 4 4 LEU HD13 H 1 0.884 0.000 . 2 . . . . 717 L QQD . 15552 1
15 . 1 1 4 4 LEU HD21 H 1 0.884 0.000 . 2 . . . . 717 L QQD . 15552 1
16 . 1 1 4 4 LEU HD22 H 1 0.884 0.000 . 2 . . . . 717 L QQD . 15552 1
17 . 1 1 4 4 LEU HD23 H 1 0.884 0.000 . 2 . . . . 717 L QQD . 15552 1
18 . 1 1 4 4 LEU N N 15 124.460 0.002 . 1 . . . . 717 L N . 15552 1
19 . 1 1 5 5 LEU H H 1 8.290 0.000 . 1 . . . . 718 L HN . 15552 1
20 . 1 1 5 5 LEU HA H 1 4.384 0.015 . 1 . . . . 718 L HA . 15552 1
21 . 1 1 5 5 LEU HB2 H 1 1.572 0.006 . 2 . . . . 718 L QB . 15552 1
22 . 1 1 5 5 LEU HB3 H 1 1.572 0.006 . 2 . . . . 718 L QB . 15552 1
23 . 1 1 5 5 LEU HD11 H 1 0.869 0.000 . 2 . . . . 718 L QQD . 15552 1
24 . 1 1 5 5 LEU HD12 H 1 0.869 0.000 . 2 . . . . 718 L QQD . 15552 1
25 . 1 1 5 5 LEU HD13 H 1 0.869 0.000 . 2 . . . . 718 L QQD . 15552 1
26 . 1 1 5 5 LEU HD21 H 1 0.869 0.000 . 2 . . . . 718 L QQD . 15552 1
27 . 1 1 5 5 LEU HD22 H 1 0.869 0.000 . 2 . . . . 718 L QQD . 15552 1
28 . 1 1 5 5 LEU HD23 H 1 0.869 0.000 . 2 . . . . 718 L QQD . 15552 1
29 . 1 1 5 5 LEU N N 15 124.419 0.000 . 1 . . . . 718 L N . 15552 1
30 . 1 1 6 6 ILE H H 1 8.129 0.001 . 1 . . . . 719 I HN . 15552 1
31 . 1 1 6 6 ILE HA H 1 4.258 0.000 . 1 . . . . 719 I HA . 15552 1
32 . 1 1 6 6 ILE HB H 1 1.848 0.000 . 1 . . . . 719 I HB . 15552 1
33 . 1 1 6 6 ILE HG12 H 1 1.444 0.000 . 2 . . . . 719 I HG12 . 15552 1
34 . 1 1 6 6 ILE HG13 H 1 1.163 0.000 . 1 . . . . 719 I HG13 . 15552 1
35 . 1 1 6 6 ILE HG21 H 1 0.866 0.001 . 1 . . . . 719 I HG2 . 15552 1
36 . 1 1 6 6 ILE HG22 H 1 0.866 0.001 . 1 . . . . 719 I HG2 . 15552 1
37 . 1 1 6 6 ILE HG23 H 1 0.866 0.001 . 1 . . . . 719 I HG2 . 15552 1
38 . 1 1 6 6 ILE N N 15 122.679 0.007 . 1 . . . . 719 I N . 15552 1
39 . 1 1 7 7 THR H H 1 8.309 0.001 . 1 . . . . 720 T HN . 15552 1
40 . 1 1 7 7 THR HA H 1 4.384 0.002 . 1 . . . . 720 T HA . 15552 1
41 . 1 1 7 7 THR HB H 1 4.253 0.000 . 1 . . . . 720 T HB . 15552 1
42 . 1 1 7 7 THR HG21 H 1 1.124 0.000 . 1 . . . . 720 T QG2 . 15552 1
43 . 1 1 7 7 THR HG22 H 1 1.124 0.000 . 1 . . . . 720 T QG2 . 15552 1
44 . 1 1 7 7 THR HG23 H 1 1.124 0.000 . 1 . . . . 720 T QG2 . 15552 1
45 . 1 1 7 7 THR N N 15 118.783 0.006 . 1 . . . . 720 T N . 15552 1
46 . 1 1 8 8 ILE H H 1 8.186 0.002 . 1 . . . . 721 I HN . 15552 1
47 . 1 1 8 8 ILE HA H 1 4.066 0.002 . 1 . . . . 721 I HA . 15552 1
48 . 1 1 8 8 ILE HB H 1 1.803 0.000 . 1 . . . . 721 I HB . 15552 1
49 . 1 1 8 8 ILE HG12 H 1 1.376 0.001 . 2 . . . . 721 I HG12 . 15552 1
50 . 1 1 8 8 ILE HG13 H 1 1.124 0.000 . 2 . . . . 721 I HG13 . 15552 1
51 . 1 1 8 8 ILE HG21 H 1 0.840 0.002 . 1 . . . . 721 I QG2 . 15552 1
52 . 1 1 8 8 ILE HG22 H 1 0.840 0.002 . 1 . . . . 721 I QG2 . 15552 1
53 . 1 1 8 8 ILE HG23 H 1 0.840 0.002 . 1 . . . . 721 I QG2 . 15552 1
54 . 1 1 8 8 ILE N N 15 123.092 0.002 . 1 . . . . 721 I N . 15552 1
55 . 1 1 9 9 HIS H H 1 8.560 0.002 . 1 . . . . 722 H HN . 15552 1
56 . 1 1 9 9 HIS HA H 1 4.663 0.000 . 1 . . . . 722 H HA . 15552 1
57 . 1 1 9 9 HIS HB2 H 1 3.222 0.001 . 2 . . . . 722 H HB2 . 15552 1
58 . 1 1 9 9 HIS HB3 H 1 3.163 0.001 . 2 . . . . 722 H HB3 . 15552 1
59 . 1 1 9 9 HIS N N 15 121.924 0.005 . 1 . . . . 722 H N . 15552 1
60 . 1 1 10 10 ASP H H 1 8.246 0.001 . 1 . . . . 723 D HN . 15552 1
61 . 1 1 10 10 ASP HA H 1 4.639 0.017 . 1 . . . . 723 D HA . 15552 1
62 . 1 1 10 10 ASP HB2 H 1 2.761 0.001 . 2 . . . . 723 D QB . 15552 1
63 . 1 1 10 10 ASP HB3 H 1 2.761 0.001 . 2 . . . . 723 D QB . 15552 1
64 . 1 1 10 10 ASP N N 15 120.959 0.011 . 1 . . . . 723 D N . 15552 1
65 . 1 1 11 11 ARG H H 1 8.404 0.004 . 1 . . . . 724 R HN . 15552 1
66 . 1 1 11 11 ARG HA H 1 4.208 0.002 . 1 . . . . 724 R HA . 15552 1
67 . 1 1 11 11 ARG HB2 H 1 1.913 0.007 . 2 . . . . 724 R HB2 . 15552 1
68 . 1 1 11 11 ARG HB3 H 1 1.816 0.004 . 2 . . . . 724 R HB3 . 15552 1
69 . 1 1 11 11 ARG HD2 H 1 3.181 0.001 . 2 . . . . 724 R QD . 15552 1
70 . 1 1 11 11 ARG HD3 H 1 3.181 0.001 . 2 . . . . 724 R QD . 15552 1
71 . 1 1 11 11 ARG HE H 1 7.214 0.001 . 1 . . . . 724 R HE . 15552 1
72 . 1 1 11 11 ARG HG2 H 1 1.675 0.001 . 2 . . . . 724 R QG . 15552 1
73 . 1 1 11 11 ARG HG3 H 1 1.675 0.001 . 2 . . . . 724 R QG . 15552 1
74 . 1 1 11 11 ARG N N 15 122.131 0.000 . 1 . . . . 724 R N . 15552 1
75 . 1 1 11 11 ARG NE N 15 84.522 0.000 . 1 . . . . 724 R NE . 15552 1
76 . 1 1 12 12 LYS H H 1 8.388 0.000 . 1 . . . . 725 K HN . 15552 1
77 . 1 1 12 12 LYS HA H 1 4.205 0.000 . 1 . . . . 725 K HA . 15552 1
78 . 1 1 12 12 LYS HB2 H 1 1.923 0.000 . 2 . . . . 725 K HB2 . 15552 1
79 . 1 1 12 12 LYS HB3 H 1 1.812 0.005 . 2 . . . . 725 K HB3 . 15552 1
80 . 1 1 12 12 LYS HG2 H 1 1.480 0.000 . 2 . . . . 725 K HG2 . 15552 1
81 . 1 1 12 12 LYS HG3 H 1 1.397 0.000 . 2 . . . . 725 K HG3 . 15552 1
82 . 1 1 12 12 LYS N N 15 121.722 0.028 . 1 . . . . 725 K N . 15552 1
83 . 1 1 13 13 GLU H H 1 8.254 0.002 . 1 . . . . 726 E HN . 15552 1
84 . 1 1 13 13 GLU HA H 1 4.192 0.004 . 1 . . . . 726 E HA . 15552 1
85 . 1 1 13 13 GLU HB2 H 1 1.971 0.004 . 2 . . . . 726 E QB . 15552 1
86 . 1 1 13 13 GLU HB3 H 1 1.971 0.004 . 2 . . . . 726 E QB . 15552 1
87 . 1 1 13 13 GLU HG2 H 1 2.280 0.005 . 2 . . . . 726 E HG2 . 15552 1
88 . 1 1 13 13 GLU HG3 H 1 2.204 0.003 . 2 . . . . 726 E HG3 . 15552 1
89 . 1 1 13 13 GLU N N 15 120.492 0.004 . 1 . . . . 726 E N . 15552 1
90 . 1 1 14 14 PHE H H 1 8.171 0.001 . 1 . . . . 727 F HN . 15552 1
91 . 1 1 14 14 PHE HA H 1 4.507 0.002 . 1 . . . . 727 F HA . 15552 1
92 . 1 1 14 14 PHE HB2 H 1 3.163 0.010 . 2 . . . . 727 F HB2 . 15552 1
93 . 1 1 14 14 PHE HB3 H 1 3.081 0.002 . 2 . . . . 727 F HB3 . 15552 1
94 . 1 1 14 14 PHE HD1 H 1 7.225 0.000 . 3 . . . . 727 F QD . 15552 1
95 . 1 1 14 14 PHE HD2 H 1 7.225 0.000 . 3 . . . . 727 F QD . 15552 1
96 . 1 1 14 14 PHE HE1 H 1 7.329 0.000 . 3 . . . . 727 F QE . 15552 1
97 . 1 1 14 14 PHE HE2 H 1 7.329 0.000 . 3 . . . . 727 F QE . 15552 1
98 . 1 1 14 14 PHE N N 15 120.559 0.008 . 1 . . . . 727 F N . 15552 1
99 . 1 1 15 15 ALA H H 1 8.120 0.002 . 1 . . . . 728 A HN . 15552 1
100 . 1 1 15 15 ALA HA H 1 4.203 0.000 . 1 . . . . 728 A HA . 15552 1
101 . 1 1 15 15 ALA HB1 H 1 1.411 0.000 . 1 . . . . 728 A QB . 15552 1
102 . 1 1 15 15 ALA HB2 H 1 1.411 0.000 . 1 . . . . 728 A QB . 15552 1
103 . 1 1 15 15 ALA HB3 H 1 1.411 0.000 . 1 . . . . 728 A QB . 15552 1
104 . 1 1 15 15 ALA N N 15 123.540 0.003 . 1 . . . . 728 A N . 15552 1
105 . 1 1 16 16 LYS H H 1 7.946 0.003 . 1 . . . . 729 K HN . 15552 1
106 . 1 1 16 16 LYS HA H 1 4.164 0.022 . 1 . . . . 729 K HA . 15552 1
107 . 1 1 16 16 LYS HB2 H 1 1.766 0.001 . 2 . . . . 729 K QB . 15552 1
108 . 1 1 16 16 LYS HB3 H 1 1.766 0.001 . 2 . . . . 729 K QB . 15552 1
109 . 1 1 16 16 LYS HG2 H 1 1.410 0.003 . 2 . . . . 729 K QG . 15552 1
110 . 1 1 16 16 LYS HG3 H 1 1.410 0.003 . 2 . . . . 729 K QG . 15552 1
111 . 1 1 16 16 LYS N N 15 119.392 0.014 . 1 . . . . 729 K N . 15552 1
112 . 1 1 17 17 PHE H H 1 8.044 0.002 . 1 . . . . 730 F HN . 15552 1
113 . 1 1 17 17 PHE HA H 1 4.486 0.006 . 1 . . . . 730 F HA . 15552 1
114 . 1 1 17 17 PHE HB2 H 1 3.135 0.007 . 2 . . . . 730 F QB . 15552 1
115 . 1 1 17 17 PHE HB3 H 1 3.135 0.007 . 2 . . . . 730 F QB . 15552 1
116 . 1 1 17 17 PHE HD1 H 1 7.212 0.001 . 3 . . . . 730 F QD . 15552 1
117 . 1 1 17 17 PHE HD2 H 1 7.212 0.001 . 3 . . . . 730 F QD . 15552 1
118 . 1 1 17 17 PHE HE1 H 1 7.316 0.006 . 3 . . . . 730 F QE . 15552 1
119 . 1 1 17 17 PHE HE2 H 1 7.316 0.006 . 3 . . . . 730 F QE . 15552 1
120 . 1 1 17 17 PHE N N 15 120.319 0.011 . 1 . . . . 730 F N . 15552 1
121 . 1 1 18 18 GLU H H 1 8.224 0.001 . 1 . . . . 731 E HN . 15552 1
122 . 1 1 18 18 GLU HA H 1 4.059 0.002 . 1 . . . . 731 E HA . 15552 1
123 . 1 1 18 18 GLU HB2 H 1 1.970 0.002 . 2 . . . . 731 E QB . 15552 1
124 . 1 1 18 18 GLU HB3 H 1 1.970 0.002 . 2 . . . . 731 E QB . 15552 1
125 . 1 1 18 18 GLU HG2 H 1 2.239 0.004 . 2 . . . . 731 E QG . 15552 1
126 . 1 1 18 18 GLU HG3 H 1 2.239 0.004 . 2 . . . . 731 E QG . 15552 1
127 . 1 1 18 18 GLU N N 15 120.385 0.010 . 1 . . . . 731 E N . 15552 1
128 . 1 1 19 19 GLU H H 1 8.167 0.001 . 1 . . . . 732 E HN . 15552 1
129 . 1 1 19 19 GLU HA H 1 4.158 0.000 . 1 . . . . 732 E HA . 15552 1
130 . 1 1 19 19 GLU HB2 H 1 2.083 0.000 . 2 . . . . 732 E QB . 15552 1
131 . 1 1 19 19 GLU HB3 H 1 2.083 0.000 . 2 . . . . 732 E QB . 15552 1
132 . 1 1 19 19 GLU HG2 H 1 2.416 0.000 . 2 . . . . 732 E QG . 15552 1
133 . 1 1 19 19 GLU HG3 H 1 2.416 0.000 . 2 . . . . 732 E QG . 15552 1
134 . 1 1 19 19 GLU N N 15 120.862 0.000 . 1 . . . . 732 E N . 15552 1
135 . 1 1 20 20 GLU H H 1 8.202 0.002 . 1 . . . . 733 E HN . 15552 1
136 . 1 1 20 20 GLU HA H 1 4.143 0.000 . 1 . . . . 733 E HA . 15552 1
137 . 1 1 20 20 GLU HB2 H 1 2.068 0.003 . 2 . . . . 733 E QB . 15552 1
138 . 1 1 20 20 GLU HB3 H 1 2.068 0.003 . 2 . . . . 733 E QB . 15552 1
139 . 1 1 20 20 GLU HG2 H 1 2.444 0.003 . 2 . . . . 733 E HG2 . 15552 1
140 . 1 1 20 20 GLU HG3 H 1 2.384 0.004 . 2 . . . . 733 E HG3 . 15552 1
141 . 1 1 20 20 GLU N N 15 120.265 0.037 . 1 . . . . 733 E N . 15552 1
142 . 1 1 21 21 ARG H H 1 8.073 0.001 . 1 . . . . 734 R HN . 15552 1
143 . 1 1 21 21 ARG HA H 1 4.121 0.004 . 1 . . . . 734 R HA . 15552 1
144 . 1 1 21 21 ARG HB2 H 1 1.774 0.007 . 2 . . . . 734 R HB2 . 15552 1
145 . 1 1 21 21 ARG HB3 H 1 1.705 0.002 . 2 . . . . 734 R HB3 . 15552 1
146 . 1 1 21 21 ARG HD2 H 1 3.083 0.002 . 2 . . . . 734 R QD . 15552 1
147 . 1 1 21 21 ARG HD3 H 1 3.083 0.002 . 2 . . . . 734 R QD . 15552 1
148 . 1 1 21 21 ARG HE H 1 7.197 0.001 . 1 . . . . 734 R HE . 15552 1
149 . 1 1 21 21 ARG HG2 H 1 1.550 0.003 . 2 . . . . 734 R QG . 15552 1
150 . 1 1 21 21 ARG HG3 H 1 1.550 0.003 . 2 . . . . 734 R QG . 15552 1
151 . 1 1 21 21 ARG N N 15 120.541 0.012 . 1 . . . . 734 R N . 15552 1
152 . 1 1 21 21 ARG NE N 15 84.682 0.000 . 1 . . . . 734 R NE . 15552 1
153 . 1 1 22 22 ALA H H 1 7.992 0.001 . 1 . . . . 735 A HN . 15552 1
154 . 1 1 22 22 ALA HA H 1 4.214 0.004 . 1 . . . . 735 A HA . 15552 1
155 . 1 1 22 22 ALA HB1 H 1 1.423 0.001 . 1 . . . . 735 A QB . 15552 1
156 . 1 1 22 22 ALA HB2 H 1 1.423 0.001 . 1 . . . . 735 A QB . 15552 1
157 . 1 1 22 22 ALA HB3 H 1 1.423 0.001 . 1 . . . . 735 A QB . 15552 1
158 . 1 1 22 22 ALA N N 15 123.076 0.012 . 1 . . . . 735 A N . 15552 1
159 . 1 1 23 23 ARG H H 1 7.962 0.000 . 1 . . . . 736 R HN . 15552 1
160 . 1 1 23 23 ARG HA H 1 4.144 0.004 . 1 . . . . 736 R HA . 15552 1
161 . 1 1 23 23 ARG HB2 H 1 1.828 0.003 . 2 . . . . 736 R QB . 15552 1
162 . 1 1 23 23 ARG HB3 H 1 1.828 0.003 . 2 . . . . 736 R QB . 15552 1
163 . 1 1 23 23 ARG HD2 H 1 3.138 0.003 . 2 . . . . 736 R QD . 15552 1
164 . 1 1 23 23 ARG HD3 H 1 3.138 0.003 . 2 . . . . 736 R QD . 15552 1
165 . 1 1 23 23 ARG HE H 1 7.243 0.000 . 1 . . . . 736 R HE . 15552 1
166 . 1 1 23 23 ARG HG2 H 1 1.609 0.002 . 2 . . . . 736 R QG . 15552 1
167 . 1 1 23 23 ARG HG3 H 1 1.609 0.002 . 2 . . . . 736 R QG . 15552 1
168 . 1 1 23 23 ARG N N 15 119.006 0.011 . 1 . . . . 736 R N . 15552 1
169 . 1 1 23 23 ARG NE N 15 84.841 0.000 . 1 . . . . 736 R NE . 15552 1
170 . 1 1 24 24 ALA H H 1 7.985 0.001 . 1 . . . . 737 A HN . 15552 1
171 . 1 1 24 24 ALA HA H 1 4.196 0.000 . 1 . . . . 737 A HA . 15552 1
172 . 1 1 24 24 ALA HB1 H 1 1.284 0.000 . 1 . . . . 737 A QB . 15552 1
173 . 1 1 24 24 ALA HB2 H 1 1.284 0.000 . 1 . . . . 737 A QB . 15552 1
174 . 1 1 24 24 ALA HB3 H 1 1.284 0.000 . 1 . . . . 737 A QB . 15552 1
175 . 1 1 24 24 ALA N N 15 123.501 0.011 . 1 . . . . 737 A N . 15552 1
176 . 1 1 25 25 LYS H H 1 7.971 0.002 . 1 . . . . 738 K HN . 15552 1
177 . 1 1 25 25 LYS HA H 1 4.145 0.001 . 1 . . . . 738 K HA . 15552 1
178 . 1 1 25 25 LYS HB2 H 1 1.693 0.003 . 2 . . . . 738 K QB . 15552 1
179 . 1 1 25 25 LYS HB3 H 1 1.693 0.003 . 2 . . . . 738 K QB . 15552 1
180 . 1 1 25 25 LYS HG2 H 1 1.285 0.001 . 2 . . . . 738 K QG . 15552 1
181 . 1 1 25 25 LYS HG3 H 1 1.285 0.001 . 2 . . . . 738 K QG . 15552 1
182 . 1 1 25 25 LYS N N 15 119.074 0.016 . 1 . . . . 738 K N . 15552 1
183 . 1 1 26 26 TRP H H 1 7.852 0.001 . 1 . . . . 739 W HN . 15552 1
184 . 1 1 26 26 TRP HA H 1 4.680 0.004 . 1 . . . . 739 W HA . 15552 1
185 . 1 1 26 26 TRP HB2 H 1 3.309 0.002 . 2 . . . . 739 W HB2 . 15552 1
186 . 1 1 26 26 TRP HB3 H 1 3.254 0.007 . 2 . . . . 739 W HB3 . 15552 1
187 . 1 1 26 26 TRP HD1 H 1 7.220 0.004 . 1 . . . . 739 W HD1 . 15552 1
188 . 1 1 26 26 TRP HE1 H 1 10.129 0.001 . 1 . . . . 739 W HE1 . 15552 1
189 . 1 1 26 26 TRP HZ2 H 1 7.460 0.000 . 1 . . . . 739 W HZ2 . 15552 1
190 . 1 1 26 26 TRP N N 15 120.214 0.007 . 1 . . . . 739 W N . 15552 1
191 . 1 1 26 26 TRP NE1 N 15 129.424 0.005 . 1 . . . . 739 W NE1 . 15552 1
192 . 1 1 27 27 ASP H H 1 8.188 0.001 . 1 . . . . 740 D HN . 15552 1
193 . 1 1 27 27 ASP HA H 1 4.656 0.012 . 1 . . . . 740 D HA . 15552 1
194 . 1 1 27 27 ASP HB2 H 1 2.670 0.003 . 2 . . . . 740 D HB2 . 15552 1
195 . 1 1 27 27 ASP HB3 H 1 2.575 0.003 . 2 . . . . 740 D HB3 . 15552 1
196 . 1 1 27 27 ASP N N 15 121.157 0.040 . 1 . . . . 740 D N . 15552 1
197 . 1 1 28 28 THR H H 1 7.973 0.001 . 1 . . . . 741 T HN . 15552 1
198 . 1 1 28 28 THR HA H 1 4.242 0.000 . 1 . . . . 741 T HA . 15552 1
199 . 1 1 28 28 THR HB H 1 4.198 0.000 . 1 . . . . 741 T HB . 15552 1
200 . 1 1 28 28 THR HG21 H 1 1.164 0.002 . 1 . . . . 741 T QG2 . 15552 1
201 . 1 1 28 28 THR HG22 H 1 1.164 0.002 . 1 . . . . 741 T QG2 . 15552 1
202 . 1 1 28 28 THR HG23 H 1 1.164 0.002 . 1 . . . . 741 T QG2 . 15552 1
203 . 1 1 28 28 THR N N 15 113.968 0.002 . 1 . . . . 741 T N . 15552 1
204 . 1 1 29 29 ALA H H 1 8.126 0.001 . 1 . . . . 742 A HN . 15552 1
205 . 1 1 29 29 ALA HA H 1 4.220 0.003 . 1 . . . . 742 A HA . 15552 1
206 . 1 1 29 29 ALA HB1 H 1 1.367 0.002 . 1 . . . . 742 A QB . 15552 1
207 . 1 1 29 29 ALA HB2 H 1 1.367 0.002 . 1 . . . . 742 A QB . 15552 1
208 . 1 1 29 29 ALA HB3 H 1 1.367 0.002 . 1 . . . . 742 A QB . 15552 1
209 . 1 1 29 29 ALA N N 15 124.629 0.005 . 1 . . . . 742 A N . 15552 1
210 . 1 1 30 30 ASN H H 1 8.109 0.002 . 1 . . . . 743 N HN . 15552 1
211 . 1 1 30 30 ASN HA H 1 4.653 0.005 . 1 . . . . 743 N HA . 15552 1
212 . 1 1 30 30 ASN HB2 H 1 2.741 0.004 . 2 . . . . 743 N HB2 . 15552 1
213 . 1 1 30 30 ASN HB3 H 1 2.591 0.001 . 2 . . . . 743 N HB3 . 15552 1
214 . 1 1 30 30 ASN HD21 H 1 7.516 0.001 . 2 . . . . 743 N HD21 . 15552 1
215 . 1 1 30 30 ASN HD22 H 1 6.825 0.001 . 2 . . . . 743 N HD22 . 15552 1
216 . 1 1 30 30 ASN N N 15 116.115 0.003 . 1 . . . . 743 N N . 15552 1
217 . 1 1 30 30 ASN ND2 N 15 113.240 0.007 . 1 . . . . 743 N ND2 . 15552 1
218 . 1 1 31 31 ASN H H 1 8.066 0.002 . 1 . . . . 744 N HN . 15552 1
219 . 1 1 31 31 ASN HA H 1 4.915 0.002 . 1 . . . . 744 N HA . 15552 1
220 . 1 1 31 31 ASN HB2 H 1 2.876 0.001 . 2 . . . . 744 N HB2 . 15552 1
221 . 1 1 31 31 ASN HB3 H 1 2.708 0.003 . 2 . . . . 744 N HB3 . 15552 1
222 . 1 1 31 31 ASN HD21 H 1 7.659 0.003 . 2 . . . . 744 N HD21 . 15552 1
223 . 1 1 31 31 ASN HD22 H 1 6.869 0.004 . 2 . . . . 744 N HD22 . 15552 1
224 . 1 1 31 31 ASN N N 15 119.807 0.013 . 1 . . . . 744 N N . 15552 1
225 . 1 1 31 31 ASN ND2 N 15 112.789 0.003 . 1 . . . . 744 N ND2 . 15552 1
226 . 1 1 32 32 PRO HA H 1 4.375 0.004 . 1 . . . . 745 P HA . 15552 1
227 . 1 1 32 32 PRO HB2 H 1 2.270 0.000 . 2 . . . . 745 P QB . 15552 1
228 . 1 1 32 32 PRO HB3 H 1 2.270 0.000 . 2 . . . . 745 P QB . 15552 1
229 . 1 1 32 32 PRO HD2 H 1 3.722 0.000 . 2 . . . . 745 P QD . 15552 1
230 . 1 1 32 32 PRO HD3 H 1 3.722 0.000 . 2 . . . . 745 P QD . 15552 1
231 . 1 1 32 32 PRO HG2 H 1 1.956 0.000 . 2 . . . . 745 P HG2 . 15552 1
232 . 1 1 32 32 PRO HG3 H 1 1.874 0.000 . 2 . . . . 745 P HG3 . 15552 1
233 . 1 1 33 33 LEU H H 1 8.063 0.002 . 1 . . . . 746 L HN . 15552 1
234 . 1 1 33 33 LEU HA H 1 4.199 0.002 . 1 . . . . 746 L HA . 15552 1
235 . 1 1 33 33 LEU HB2 H 1 1.502 0.001 . 2 . . . . 746 L QB . 15552 1
236 . 1 1 33 33 LEU HB3 H 1 1.502 0.001 . 2 . . . . 746 L QB . 15552 1
237 . 1 1 33 33 LEU HD11 H 1 0.875 0.001 . 2 . . . . 746 L QD1 . 15552 1
238 . 1 1 33 33 LEU HD12 H 1 0.875 0.001 . 2 . . . . 746 L QD1 . 15552 1
239 . 1 1 33 33 LEU HD13 H 1 0.875 0.001 . 2 . . . . 746 L QD1 . 15552 1
240 . 1 1 33 33 LEU HD21 H 1 0.813 0.001 . 2 . . . . 746 L QD2 . 15552 1
241 . 1 1 33 33 LEU HD22 H 1 0.813 0.001 . 2 . . . . 746 L QD2 . 15552 1
242 . 1 1 33 33 LEU HD23 H 1 0.813 0.001 . 2 . . . . 746 L QD2 . 15552 1
243 . 1 1 33 33 LEU HG H 1 1.382 0.001 . 1 . . . . 746 L HG . 15552 1
244 . 1 1 33 33 LEU N N 15 119.709 0.017 . 1 . . . . 746 L N . 15552 1
245 . 1 1 34 34 TYR H H 1 7.758 0.034 . 1 . . . . 747 Y HN . 15552 1
246 . 1 1 34 34 TYR HA H 1 4.517 0.000 . 1 . . . . 747 Y HA . 15552 1
247 . 1 1 34 34 TYR HB2 H 1 3.083 0.000 . 2 . . . . 747 Y HB2 . 15552 1
248 . 1 1 34 34 TYR HB3 H 1 2.940 0.002 . 2 . . . . 747 Y HB3 . 15552 1
249 . 1 1 34 34 TYR HD1 H 1 7.058 0.007 . 3 . . . . 747 Y QD . 15552 1
250 . 1 1 34 34 TYR HD2 H 1 7.058 0.007 . 3 . . . . 747 Y QD . 15552 1
251 . 1 1 34 34 TYR N N 15 119.493 0.005 . 1 . . . . 747 Y N . 15552 1
252 . 1 1 35 35 LYS H H 1 7.922 0.004 . 1 . . . . 748 K HN . 15552 1
253 . 1 1 35 35 LYS HA H 1 4.217 0.000 . 1 . . . . 748 K HA . 15552 1
254 . 1 1 35 35 LYS HB2 H 1 1.767 0.002 . 2 . . . . 748 K HB2 . 15552 1
255 . 1 1 35 35 LYS HB3 H 1 1.681 0.001 . 2 . . . . 748 K HB3 . 15552 1
256 . 1 1 35 35 LYS HG2 H 1 1.337 0.007 . 2 . . . . 748 K QG . 15552 1
257 . 1 1 35 35 LYS HG3 H 1 1.337 0.007 . 2 . . . . 748 K QG . 15552 1
258 . 1 1 35 35 LYS N N 15 122.687 0.015 . 1 . . . . 748 K N . 15552 1
259 . 1 1 36 36 GLU H H 1 8.188 0.003 . 1 . . . . 749 E HN . 15552 1
260 . 1 1 36 36 GLU HA H 1 4.223 0.000 . 1 . . . . 749 E HA . 15552 1
261 . 1 1 36 36 GLU HB2 H 1 2.087 0.000 . 2 . . . . 749 E HB2 . 15552 1
262 . 1 1 36 36 GLU HB3 H 1 1.967 0.000 . 2 . . . . 749 E HB3 . 15552 1
263 . 1 1 36 36 GLU HG2 H 1 2.399 0.000 . 2 . . . . 749 E QG . 15552 1
264 . 1 1 36 36 GLU HG3 H 1 2.399 0.000 . 2 . . . . 749 E QG . 15552 1
265 . 1 1 36 36 GLU N N 15 121.292 0.016 . 1 . . . . 749 E N . 15552 1
266 . 1 1 37 37 ALA H H 1 8.318 0.004 . 1 . . . . 750 A HN . 15552 1
267 . 1 1 37 37 ALA HA H 1 4.361 0.000 . 1 . . . . 750 A HA . 15552 1
268 . 1 1 37 37 ALA HB1 H 1 1.418 0.001 . 1 . . . . 750 A QB . 15552 1
269 . 1 1 37 37 ALA HB2 H 1 1.418 0.001 . 1 . . . . 750 A QB . 15552 1
270 . 1 1 37 37 ALA HB3 H 1 1.418 0.001 . 1 . . . . 750 A QB . 15552 1
271 . 1 1 37 37 ALA N N 15 125.130 0.005 . 1 . . . . 750 A N . 15552 1
272 . 1 1 38 38 THR H H 1 8.064 0.005 . 1 . . . . 751 T HN . 15552 1
273 . 1 1 38 38 THR HA H 1 4.345 0.011 . 1 . . . . 751 T HA . 15552 1
274 . 1 1 38 38 THR HB H 1 4.245 0.005 . 1 . . . . 751 T HB . 15552 1
275 . 1 1 38 38 THR HG21 H 1 1.191 0.000 . 1 . . . . 751 T QG2 . 15552 1
276 . 1 1 38 38 THR HG22 H 1 1.191 0.000 . 1 . . . . 751 T QG2 . 15552 1
277 . 1 1 38 38 THR HG23 H 1 1.191 0.000 . 1 . . . . 751 T QG2 . 15552 1
278 . 1 1 38 38 THR N N 15 112.678 0.005 . 1 . . . . 751 T N . 15552 1
279 . 1 1 39 39 SER H H 1 8.253 0.005 . 1 . . . . 752 S HN . 15552 1
280 . 1 1 39 39 SER HA H 1 4.507 0.004 . 1 . . . . 752 S HA . 15552 1
281 . 1 1 39 39 SER HB2 H 1 3.852 0.005 . 2 . . . . 752 S QB . 15552 1
282 . 1 1 39 39 SER HB3 H 1 3.852 0.005 . 2 . . . . 752 S QB . 15552 1
283 . 1 1 39 39 SER N N 15 117.802 0.002 . 1 . . . . 752 S N . 15552 1
284 . 1 1 40 40 THR H H 1 8.074 0.003 . 1 . . . . 753 T HN . 15552 1
285 . 1 1 40 40 THR HA H 1 4.288 0.000 . 1 . . . . 753 T HA . 15552 1
286 . 1 1 40 40 THR HB H 1 4.143 0.001 . 1 . . . . 753 T HB . 15552 1
287 . 1 1 40 40 THR HG21 H 1 1.115 0.001 . 1 . . . . 753 T QG2 . 15552 1
288 . 1 1 40 40 THR HG22 H 1 1.115 0.001 . 1 . . . . 753 T QG2 . 15552 1
289 . 1 1 40 40 THR HG23 H 1 1.115 0.001 . 1 . . . . 753 T QG2 . 15552 1
290 . 1 1 40 40 THR N N 15 115.563 0.009 . 1 . . . . 753 T N . 15552 1
291 . 1 1 41 41 PHE H H 1 8.185 0.006 . 1 . . . . 754 F HN . 15552 1
292 . 1 1 41 41 PHE HA H 1 4.709 0.001 . 1 . . . . 754 F HA . 15552 1
293 . 1 1 41 41 PHE HB2 H 1 3.160 0.002 . 2 . . . . 754 F HB2 . 15552 1
294 . 1 1 41 41 PHE HB3 H 1 3.021 0.005 . 2 . . . . 754 F HB3 . 15552 1
295 . 1 1 41 41 PHE HD1 H 1 7.220 0.007 . 3 . . . . 754 F QD . 15552 1
296 . 1 1 41 41 PHE HD2 H 1 7.220 0.007 . 3 . . . . 754 F QD . 15552 1
297 . 1 1 41 41 PHE N N 15 122.109 0.011 . 1 . . . . 754 F N . 15552 1
298 . 1 1 42 42 THR H H 1 8.017 0.004 . 1 . . . . 755 T HN . 15552 1
299 . 1 1 42 42 THR HA H 1 4.300 0.001 . 1 . . . . 755 T HA . 15552 1
300 . 1 1 42 42 THR HB H 1 4.162 0.004 . 1 . . . . 755 T HB . 15552 1
301 . 1 1 42 42 THR HG21 H 1 1.160 0.001 . 1 . . . . 755 T QG2 . 15552 1
302 . 1 1 42 42 THR HG22 H 1 1.160 0.001 . 1 . . . . 755 T QG2 . 15552 1
303 . 1 1 42 42 THR HG23 H 1 1.160 0.001 . 1 . . . . 755 T QG2 . 15552 1
304 . 1 1 42 42 THR N N 15 115.522 0.003 . 1 . . . . 755 T N . 15552 1
305 . 1 1 43 43 ASN H H 1 8.343 0.003 . 1 . . . . 756 N HN . 15552 1
306 . 1 1 43 43 ASN HA H 1 4.712 0.002 . 1 . . . . 756 N HA . 15552 1
307 . 1 1 43 43 ASN HB2 H 1 2.818 0.002 . 2 . . . . 756 N HB2 . 15552 1
308 . 1 1 43 43 ASN HB3 H 1 2.752 0.008 . 2 . . . . 756 N HB3 . 15552 1
309 . 1 1 43 43 ASN HD21 H 1 7.582 0.000 . 2 . . . . 756 N HD21 . 15552 1
310 . 1 1 43 43 ASN HD22 H 1 6.891 0.002 . 2 . . . . 756 N HD22 . 15552 1
311 . 1 1 43 43 ASN N N 15 121.249 0.004 . 1 . . . . 756 N N . 15552 1
312 . 1 1 43 43 ASN ND2 N 15 112.656 0.013 . 1 . . . . 756 N ND2 . 15552 1
313 . 1 1 44 44 ILE H H 1 8.071 0.001 . 1 . . . . 757 I HN . 15552 1
314 . 1 1 44 44 ILE HA H 1 4.191 0.001 . 1 . . . . 757 I HA . 15552 1
315 . 1 1 44 44 ILE HB H 1 1.844 0.000 . 1 . . . . 757 I HB . 15552 1
316 . 1 1 44 44 ILE HG12 H 1 1.421 0.002 . 2 . . . . 757 I HG12 . 15552 1
317 . 1 1 44 44 ILE HG13 H 1 1.150 0.000 . 2 . . . . 757 I HG13 . 15552 1
318 . 1 1 44 44 ILE HG21 H 1 0.813 0.002 . 1 . . . . 757 I QG2 . 15552 1
319 . 1 1 44 44 ILE HG22 H 1 0.813 0.002 . 1 . . . . 757 I QG2 . 15552 1
320 . 1 1 44 44 ILE HG23 H 1 0.813 0.002 . 1 . . . . 757 I QG2 . 15552 1
321 . 1 1 44 44 ILE N N 15 121.171 0.007 . 1 . . . . 757 I N . 15552 1
322 . 1 1 45 45 THR H H 1 8.139 0.001 . 1 . . . . 758 T HN . 15552 1
323 . 1 1 45 45 THR HA H 1 4.300 0.005 . 1 . . . . 758 T HA . 15552 1
324 . 1 1 45 45 THR HB H 1 4.106 0.005 . 1 . . . . 758 T HB . 15552 1
325 . 1 1 45 45 THR HG21 H 1 1.134 0.001 . 1 . . . . 758 T QG2 . 15552 1
326 . 1 1 45 45 THR HG22 H 1 1.134 0.001 . 1 . . . . 758 T QG2 . 15552 1
327 . 1 1 45 45 THR HG23 H 1 1.134 0.001 . 1 . . . . 758 T QG2 . 15552 1
328 . 1 1 45 45 THR N N 15 118.143 0.009 . 1 . . . . 758 T N . 15552 1
329 . 1 1 46 46 TYR H H 1 8.225 0.001 . 1 . . . . 759 Y HN . 15552 1
330 . 1 1 46 46 TYR HA H 1 4.556 0.000 . 1 . . . . 759 Y HA . 15552 1
331 . 1 1 46 46 TYR HB2 H 1 2.970 0.000 . 2 . . . . 759 Y QB . 15552 1
332 . 1 1 46 46 TYR HB3 H 1 2.970 0.000 . 2 . . . . 759 Y QB . 15552 1
333 . 1 1 46 46 TYR HD1 H 1 7.103 0.000 . 3 . . . . 759 Y QD . 15552 1
334 . 1 1 46 46 TYR HD2 H 1 7.103 0.000 . 3 . . . . 759 Y QD . 15552 1
335 . 1 1 46 46 TYR N N 15 123.646 0.007 . 1 . . . . 759 Y N . 15552 1
336 . 1 1 47 47 ARG H H 1 8.221 0.001 . 1 . . . . 760 R HN . 15552 1
337 . 1 1 47 47 ARG HA H 1 4.304 0.001 . 1 . . . . 760 R HA . 15552 1
338 . 1 1 47 47 ARG HB2 H 1 1.833 0.000 . 2 . . . . 760 R QB . 15552 1
339 . 1 1 47 47 ARG HB3 H 1 1.833 0.000 . 2 . . . . 760 R QB . 15552 1
340 . 1 1 47 47 ARG HD2 H 1 3.170 0.000 . 2 . . . . 760 R QD . 15552 1
341 . 1 1 47 47 ARG HD3 H 1 3.170 0.000 . 2 . . . . 760 R QD . 15552 1
342 . 1 1 47 47 ARG HE H 1 7.140 0.001 . 1 . . . . 760 R HE . 15552 1
343 . 1 1 47 47 ARG HG2 H 1 1.674 0.006 . 2 . . . . 760 R HG2 . 15552 1
344 . 1 1 47 47 ARG HG3 H 1 1.571 0.000 . 2 . . . . 760 R HG3 . 15552 1
345 . 1 1 47 47 ARG N N 15 124.319 0.008 . 1 . . . . 760 R N . 15552 1
346 . 1 1 47 47 ARG NE N 15 84.915 0.000 . 1 . . . . 760 R NE . 15552 1
347 . 1 1 48 48 GLY H H 1 7.724 0.002 . 1 . . . . 761 G HN . 15552 1
348 . 1 1 48 48 GLY HA2 H 1 3.937 0.005 . 2 . . . . 761 G QA . 15552 1
349 . 1 1 48 48 GLY HA3 H 1 3.937 0.005 . 2 . . . . 761 G QA . 15552 1
350 . 1 1 48 48 GLY N N 15 109.689 0.011 . 1 . . . . 761 G N . 15552 1
351 . 1 1 49 49 THR H H 1 7.715 0.001 . 1 . . . . 762 T HN . 15552 1
352 . 1 1 49 49 THR HA H 1 4.247 0.000 . 1 . . . . 762 T HA . 15552 1
353 . 1 1 49 49 THR HB H 1 4.116 0.000 . 1 . . . . 762 T HB . 15552 1
354 . 1 1 49 49 THR HG21 H 1 1.193 0.000 . 1 . . . . 762 T QG2 . 15552 1
355 . 1 1 49 49 THR HG22 H 1 1.193 0.000 . 1 . . . . 762 T QG2 . 15552 1
356 . 1 1 49 49 THR HG23 H 1 1.193 0.000 . 1 . . . . 762 T QG2 . 15552 1
357 . 1 1 49 49 THR N N 15 117.597 0.003 . 1 . . . . 762 T N . 15552 1
stop_
save_
###################################
# 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_H-N_assignments_pH_6.1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode H-N_assignments_pH_6.1
_Assigned_chem_shift_list.Entry_ID 15552
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $pH_6.1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 '1H and 15N assignments for backbone amides and asparagine and tryptophan N-H sidechains at pH 6.1'
_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
4 '2D 1H-15N HSQC' . . . 15552 2
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 $SPARKY . . 15552 2
2 $NMRPipe . . 15552 2
3 $Omega_Spectrometer_Operating_Software . . 15552 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 3 3 LYS H H 1 8.459 0.000 . 1 . . . . 716 K HN . 15552 2
2 . 1 1 3 3 LYS N N 15 122.209 0.000 . 1 . . . . 716 K N . 15552 2
3 . 1 1 4 4 LEU H H 1 8.251 0.000 . 1 . . . . 717 L HN . 15552 2
4 . 1 1 4 4 LEU N N 15 124.407 0.000 . 1 . . . . 717 L N . 15552 2
5 . 1 1 5 5 LEU H H 1 8.273 0.000 . 1 . . . . 718 L HN . 15552 2
6 . 1 1 5 5 LEU N N 15 124.306 0.000 . 1 . . . . 718 L N . 15552 2
7 . 1 1 6 6 ILE H H 1 8.113 0.000 . 1 . . . . 719 I HN . 15552 2
8 . 1 1 6 6 ILE N N 15 122.547 0.000 . 1 . . . . 719 I N . 15552 2
9 . 1 1 7 7 THR H H 1 8.332 0.000 . 1 . . . . 720 T HN . 15552 2
10 . 1 1 7 7 THR N N 15 118.824 0.000 . 1 . . . . 720 T N . 15552 2
11 . 1 1 8 8 ILE H H 1 8.171 0.000 . 1 . . . . 721 I HN . 15552 2
12 . 1 1 8 8 ILE N N 15 123.006 0.000 . 1 . . . . 721 I N . 15552 2
13 . 1 1 9 9 HIS H H 1 8.415 0.000 . 1 . . . . 722 H HN . 15552 2
14 . 1 1 9 9 HIS N N 15 122.525 0.000 . 1 . . . . 722 H N . 15552 2
15 . 1 1 10 10 ASP H H 1 8.238 0.000 . 1 . . . . 723 D HN . 15552 2
16 . 1 1 10 10 ASP N N 15 121.436 0.000 . 1 . . . . 723 D N . 15552 2
17 . 1 1 11 11 ARG H H 1 8.331 0.000 . 1 . . . . 724 R HN . 15552 2
18 . 1 1 11 11 ARG N N 15 121.679 0.000 . 1 . . . . 724 R N . 15552 2
19 . 1 1 12 12 LYS H H 1 8.397 0.000 . 1 . . . . 725 K HN . 15552 2
20 . 1 1 12 12 LYS N N 15 122.074 0.000 . 1 . . . . 725 K N . 15552 2
21 . 1 1 13 13 GLU H H 1 8.340 0.000 . 1 . . . . 726 E HN . 15552 2
22 . 1 1 13 13 GLU N N 15 120.898 0.000 . 1 . . . . 726 E N . 15552 2
23 . 1 1 14 14 PHE H H 1 8.136 0.000 . 1 . . . . 727 F HN . 15552 2
24 . 1 1 14 14 PHE N N 15 120.367 0.000 . 1 . . . . 727 F N . 15552 2
25 . 1 1 15 15 ALA H H 1 8.125 0.000 . 1 . . . . 728 A HN . 15552 2
26 . 1 1 15 15 ALA N N 15 123.981 0.000 . 1 . . . . 728 A N . 15552 2
27 . 1 1 16 16 LYS H H 1 8.000 0.000 . 1 . . . . 729 K HN . 15552 2
28 . 1 1 16 16 LYS N N 15 119.710 0.000 . 1 . . . . 729 K N . 15552 2
29 . 1 1 17 17 PHE H H 1 8.073 0.000 . 1 . . . . 730 F HN . 15552 2
30 . 1 1 17 17 PHE N N 15 120.602 0.000 . 1 . . . . 730 F N . 15552 2
31 . 1 1 18 18 GLU H H 1 8.280 0.000 . 1 . . . . 731 E HN . 15552 2
32 . 1 1 18 18 GLU N N 15 121.207 0.000 . 1 . . . . 731 E N . 15552 2
33 . 1 1 19 19 GLU H H 1 8.231 0.000 . 1 . . . . 732 E HN . 15552 2
34 . 1 1 19 19 GLU N N 15 121.348 0.000 . 1 . . . . 732 E N . 15552 2
35 . 1 1 20 20 GLU H H 1 8.275 0.000 . 1 . . . . 733 E HN . 15552 2
36 . 1 1 20 20 GLU N N 15 120.852 0.000 . 1 . . . . 733 E N . 15552 2
37 . 1 1 21 21 ARG H H 1 8.114 0.000 . 1 . . . . 734 R HN . 15552 2
38 . 1 1 21 21 ARG N N 15 120.660 0.000 . 1 . . . . 734 R N . 15552 2
39 . 1 1 22 22 ALA H H 1 8.000 0.000 . 1 . . . . 735 A HN . 15552 2
40 . 1 1 22 22 ALA N N 15 122.952 0.000 . 1 . . . . 735 A N . 15552 2
41 . 1 1 23 23 ARG H H 1 7.936 0.000 . 1 . . . . 736 R HN . 15552 2
42 . 1 1 23 23 ARG N N 15 118.993 0.000 . 1 . . . . 736 R N . 15552 2
43 . 1 1 24 24 ALA H H 1 7.986 0.000 . 1 . . . . 737 A HN . 15552 2
44 . 1 1 24 24 ALA N N 15 123.462 0.000 . 1 . . . . 737 A N . 15552 2
45 . 1 1 25 25 LYS H H 1 7.942 0.000 . 1 . . . . 738 K HN . 15552 2
46 . 1 1 25 25 LYS N N 15 119.109 0.000 . 1 . . . . 738 K N . 15552 2
47 . 1 1 26 26 TRP H H 1 7.861 0.000 . 1 . . . . 739 W HN . 15552 2
48 . 1 1 26 26 TRP HE1 H 1 10.136 0.000 . 1 . . . . 739 W HE1 . 15552 2
49 . 1 1 26 26 TRP N N 15 120.417 0.000 . 1 . . . . 739 W N . 15552 2
50 . 1 1 26 26 TRP NE1 N 15 129.437 0.000 . 1 . . . . 739 W NE1 . 15552 2
51 . 1 1 27 27 ASP H H 1 8.195 0.000 . 1 . . . . 740 D HN . 15552 2
52 . 1 1 27 27 ASP N N 15 121.758 0.000 . 1 . . . . 740 D N . 15552 2
53 . 1 1 28 28 THR H H 1 7.983 0.000 . 1 . . . . 741 T HN . 15552 2
54 . 1 1 28 28 THR N N 15 114.011 0.000 . 1 . . . . 741 T N . 15552 2
55 . 1 1 29 29 ALA H H 1 8.147 0.000 . 1 . . . . 742 A HN . 15552 2
56 . 1 1 29 29 ALA N N 15 124.654 0.000 . 1 . . . . 742 A N . 15552 2
57 . 1 1 30 30 ASN H H 1 8.096 0.000 . 1 . . . . 743 N HN . 15552 2
58 . 1 1 30 30 ASN HD21 H 1 7.558 0.000 . 2 . . . . 743 N HD21 . 15552 2
59 . 1 1 30 30 ASN HD22 H 1 6.820 0.000 . 2 . . . . 743 N HD22 . 15552 2
60 . 1 1 30 30 ASN N N 15 116.044 0.000 . 1 . . . . 743 N N . 15552 2
61 . 1 1 30 30 ASN ND2 N 15 113.507 0.001 . 1 . . . . 743 N ND2 . 15552 2
62 . 1 1 31 31 ASN H H 1 8.078 0.000 . 1 . . . . 744 N HN . 15552 2
63 . 1 1 31 31 ASN HD21 H 1 7.673 0.000 . 2 . . . . 744 N HD21 . 15552 2
64 . 1 1 31 31 ASN HD22 H 1 6.888 0.000 . 2 . . . . 744 N HD22 . 15552 2
65 . 1 1 31 31 ASN N N 15 119.847 0.000 . 1 . . . . 744 N N . 15552 2
66 . 1 1 31 31 ASN ND2 N 15 112.953 0.000 . 1 . . . . 744 N ND2 . 15552 2
67 . 1 1 33 33 LEU H H 1 8.078 0.000 . 1 . . . . 746 L HN . 15552 2
68 . 1 1 33 33 LEU N N 15 119.944 0.000 . 1 . . . . 746 L N . 15552 2
69 . 1 1 34 34 TYR H H 1 7.788 0.000 . 1 . . . . 747 Y HN . 15552 2
70 . 1 1 34 34 TYR N N 15 119.698 0.000 . 1 . . . . 747 Y N . 15552 2
71 . 1 1 35 35 LYS H H 1 7.914 0.000 . 1 . . . . 748 K HN . 15552 2
72 . 1 1 35 35 LYS N N 15 123.070 0.000 . 1 . . . . 748 K N . 15552 2
73 . 1 1 36 36 GLU H H 1 8.277 0.000 . 1 . . . . 749 E HN . 15552 2
74 . 1 1 36 36 GLU N N 15 121.934 0.000 . 1 . . . . 749 E N . 15552 2
75 . 1 1 37 37 ALA H H 1 8.335 0.000 . 1 . . . . 750 A HN . 15552 2
76 . 1 1 37 37 ALA N N 15 125.173 0.000 . 1 . . . . 750 A N . 15552 2
77 . 1 1 38 38 THR H H 1 8.071 0.000 . 1 . . . . 751 T HN . 15552 2
78 . 1 1 38 38 THR N N 15 112.711 0.000 . 1 . . . . 751 T N . 15552 2
79 . 1 1 39 39 SER H H 1 8.260 0.000 . 1 . . . . 752 S HN . 15552 2
80 . 1 1 39 39 SER N N 15 117.893 0.000 . 1 . . . . 752 S N . 15552 2
81 . 1 1 40 40 THR H H 1 8.084 0.000 . 1 . . . . 753 T HN . 15552 2
82 . 1 1 40 40 THR N N 15 115.619 0.000 . 1 . . . . 753 T N . 15552 2
83 . 1 1 41 41 PHE H H 1 8.184 0.000 . 1 . . . . 754 F HN . 15552 2
84 . 1 1 41 41 PHE N N 15 122.148 0.000 . 1 . . . . 754 F N . 15552 2
85 . 1 1 42 42 THR H H 1 8.020 0.000 . 1 . . . . 755 T HN . 15552 2
86 . 1 1 42 42 THR N N 15 115.553 0.000 . 1 . . . . 755 T N . 15552 2
87 . 1 1 43 43 ASN H H 1 8.344 0.000 . 1 . . . . 756 N HN . 15552 2
88 . 1 1 43 43 ASN HD21 H 1 7.586 0.000 . 2 . . . . 756 N HD21 . 15552 2
89 . 1 1 43 43 ASN HD22 H 1 6.894 0.000 . 2 . . . . 756 N HD22 . 15552 2
90 . 1 1 43 43 ASN N N 15 121.286 0.000 . 1 . . . . 756 N N . 15552 2
91 . 1 1 43 43 ASN ND2 N 15 112.741 0.003 . 1 . . . . 756 N ND2 . 15552 2
92 . 1 1 44 44 ILE H H 1 8.071 0.000 . 1 . . . . 757 I HN . 15552 2
93 . 1 1 44 44 ILE N N 15 121.205 0.000 . 1 . . . . 757 I N . 15552 2
94 . 1 1 45 45 THR H H 1 8.138 0.000 . 1 . . . . 758 T HN . 15552 2
95 . 1 1 45 45 THR N N 15 118.192 0.000 . 1 . . . . 758 T N . 15552 2
96 . 1 1 46 46 TYR H H 1 8.226 0.000 . 1 . . . . 759 Y HN . 15552 2
97 . 1 1 46 46 TYR N N 15 123.645 0.000 . 1 . . . . 759 Y N . 15552 2
98 . 1 1 47 47 ARG H H 1 8.224 0.000 . 1 . . . . 760 R HN . 15552 2
99 . 1 1 47 47 ARG N N 15 124.322 0.000 . 1 . . . . 760 R N . 15552 2
100 . 1 1 48 48 GLY H H 1 7.728 0.000 . 1 . . . . 761 G HN . 15552 2
101 . 1 1 48 48 GLY N N 15 109.755 0.000 . 1 . . . . 761 G N . 15552 2
102 . 1 1 49 49 THR H H 1 7.672 0.000 . 1 . . . . 762 T HN . 15552 2
103 . 1 1 49 49 THR N N 15 118.302 0.000 . 1 . . . . 762 T N . 15552 2
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