###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25722
_Assigned_chem_shift_list.ID 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 $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 .
_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' . . . 25722 1
2 '2D 1H-1H TOCSY' . . . 25722 1
3 '2D 1H-1H NOESY' . . . 25722 1
4 '3D 1H-15N NOESY' . . . 25722 1
5 '3D 1H-15N TOCSY' . . . 25722 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 $CNS . . 25722 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 1 1 GLY H H 1 8.3960 0.0000 . 1 . . . A 627 GLY H1 . 25722 1
2 . 1 1 1 1 GLY N N 15 119.4640 0.0000 . 1 . . . A 627 GLY N . 25722 1
3 . 1 1 2 2 GLY H H 1 8.7270 0.0000 . 1 . . . A 628 GLY H . 25722 1
4 . 1 1 2 2 GLY N N 15 113.0060 0.0000 . 1 . . . A 628 GLY N . 25722 1
5 . 1 1 3 3 ILE H H 1 8.5600 0.0000 . 1 . . . A 629 ILE H . 25722 1
6 . 1 1 3 3 ILE HA H 1 4.2480 0.0000 . 1 . . . A 629 ILE HA . 25722 1
7 . 1 1 3 3 ILE HB H 1 1.5610 0.0000 . 1 . . . A 629 ILE HB . 25722 1
8 . 1 1 3 3 ILE HG12 H 1 0.8520 0.0000 . 2 . . . A 629 ILE HG12 . 25722 1
9 . 1 1 3 3 ILE HG13 H 1 0.8520 0.0000 . 2 . . . A 629 ILE HG13 . 25722 1
10 . 1 1 3 3 ILE HG21 H 1 0.8520 0.0000 . 1 . . . A 629 ILE HG21 . 25722 1
11 . 1 1 3 3 ILE HG22 H 1 0.8520 0.0000 . 1 . . . A 629 ILE HG22 . 25722 1
12 . 1 1 3 3 ILE HG23 H 1 0.8520 0.0000 . 1 . . . A 629 ILE HG23 . 25722 1
13 . 1 1 3 3 ILE N N 15 122.7300 0.0000 . 1 . . . A 629 ILE N . 25722 1
14 . 1 1 4 4 ARG H H 1 8.0290 0.0000 . 1 . . . A 630 ARG H . 25722 1
15 . 1 1 4 4 ARG N N 15 119.8800 0.0000 . 1 . . . A 630 ARG N . 25722 1
16 . 1 1 5 5 LYS H H 1 8.6640 0.0000 . 1 . . . A 631 LYS H . 25722 1
17 . 1 1 5 5 LYS N N 15 119.0400 0.0000 . 1 . . . A 631 LYS N . 25722 1
18 . 1 1 6 6 THR H H 1 8.3760 0.0000 . 1 . . . A 632 THR H . 25722 1
19 . 1 1 6 6 THR N N 15 109.9500 0.0000 . 1 . . . A 632 THR N . 25722 1
20 . 1 1 7 7 ARG H H 1 8.0170 0.0000 . 1 . . . A 633 ARG H . 25722 1
21 . 1 1 7 7 ARG HA H 1 3.6800 0.0000 . 1 . . . A 633 ARG HA . 25722 1
22 . 1 1 7 7 ARG N N 15 120.9500 0.0000 . 1 . . . A 633 ARG N . 25722 1
23 . 1 1 8 8 GLU H H 1 7.2600 0.0000 . 1 . . . A 634 GLU H . 25722 1
24 . 1 1 8 8 GLU HA H 1 4.0800 0.0000 . 1 . . . A 634 GLU HA . 25722 1
25 . 1 1 8 8 GLU HB2 H 1 2.3300 0.0000 . 2 . . . A 634 GLU HB2 . 25722 1
26 . 1 1 8 8 GLU HB3 H 1 2.3300 0.0000 . 2 . . . A 634 GLU HB3 . 25722 1
27 . 1 1 8 8 GLU HG2 H 1 2.3300 0.0000 . 2 . . . A 634 GLU HG2 . 25722 1
28 . 1 1 8 8 GLU HG3 H 1 2.3300 0.0000 . 2 . . . A 634 GLU HG3 . 25722 1
29 . 1 1 8 8 GLU N N 15 118.2010 0.0000 . 1 . . . A 634 GLU N . 25722 1
30 . 1 1 9 9 THR H H 1 8.1370 0.0000 . 1 . . . A 635 THR H . 25722 1
31 . 1 1 9 9 THR N N 15 115.2740 0.0000 . 1 . . . A 635 THR N . 25722 1
32 . 1 1 10 10 GLU H H 1 8.2740 0.0000 . 1 . . . A 636 GLU H . 25722 1
33 . 1 1 10 10 GLU HA H 1 4.1080 0.0000 . 1 . . . A 636 GLU HA . 25722 1
34 . 1 1 10 10 GLU HB2 H 1 2.0700 0.0000 . 2 . . . A 636 GLU HB2 . 25722 1
35 . 1 1 10 10 GLU HB3 H 1 2.0700 0.0000 . 2 . . . A 636 GLU HB3 . 25722 1
36 . 1 1 10 10 GLU N N 15 115.3010 0.0000 . 1 . . . A 636 GLU N . 25722 1
37 . 1 1 11 11 ARG H H 1 7.8100 0.0000 . 1 . . . A 637 ARG H . 25722 1
38 . 1 1 11 11 ARG HA H 1 3.7590 0.0000 . 1 . . . A 637 ARG HA . 25722 1
39 . 1 1 11 11 ARG HG2 H 1 1.5900 0.0000 . 2 . . . A 637 ARG HG2 . 25722 1
40 . 1 1 11 11 ARG HG3 H 1 1.5900 0.0000 . 2 . . . A 637 ARG HG3 . 25722 1
41 . 1 1 11 11 ARG N N 15 120.1740 0.0000 . 1 . . . A 637 ARG N . 25722 1
42 . 1 1 12 12 LEU H H 1 8.1700 0.0000 . 1 . . . A 638 LEU H . 25722 1
43 . 1 1 12 12 LEU HA H 1 3.4500 0.0000 . 1 . . . A 638 LEU HA . 25722 1
44 . 1 1 12 12 LEU HD11 H 1 0.7130 0.0000 . 2 . . . A 638 LEU HD11 . 25722 1
45 . 1 1 12 12 LEU HD12 H 1 0.7130 0.0000 . 2 . . . A 638 LEU HD12 . 25722 1
46 . 1 1 12 12 LEU HD13 H 1 0.7130 0.0000 . 2 . . . A 638 LEU HD13 . 25722 1
47 . 1 1 12 12 LEU HD21 H 1 0.7130 0.0000 . 2 . . . A 638 LEU HD21 . 25722 1
48 . 1 1 12 12 LEU HD22 H 1 0.7130 0.0000 . 2 . . . A 638 LEU HD22 . 25722 1
49 . 1 1 12 12 LEU HD23 H 1 0.7130 0.0000 . 2 . . . A 638 LEU HD23 . 25722 1
50 . 1 1 12 12 LEU N N 15 120.6580 0.0000 . 1 . . . A 638 LEU N . 25722 1
51 . 1 1 13 13 ARG H H 1 7.5100 0.0000 . 1 . . . A 639 ARG H . 25722 1
52 . 1 1 13 13 ARG HA H 1 3.9240 0.0000 . 1 . . . A 639 ARG HA . 25722 1
53 . 1 1 13 13 ARG HD2 H 1 2.2100 0.0000 . 2 . . . A 639 ARG HD2 . 25722 1
54 . 1 1 13 13 ARG HD3 H 1 2.2100 0.0000 . 2 . . . A 639 ARG HD3 . 25722 1
55 . 1 1 13 13 ARG N N 15 116.3250 0.0000 . 1 . . . A 639 ARG N . 25722 1
56 . 1 1 14 14 ARG H H 1 7.9250 0.0000 . 1 . . . A 640 ARG H . 25722 1
57 . 1 1 14 14 ARG HA H 1 4.0150 0.0000 . 1 . . . A 640 ARG HA . 25722 1
58 . 1 1 14 14 ARG HD2 H 1 2.2200 0.0000 . 2 . . . A 640 ARG HD2 . 25722 1
59 . 1 1 14 14 ARG HD3 H 1 2.2200 0.0000 . 2 . . . A 640 ARG HD3 . 25722 1
60 . 1 1 14 14 ARG N N 15 117.9040 0.0000 . 1 . . . A 640 ARG N . 25722 1
61 . 1 1 15 15 GLN H H 1 8.6820 0.0000 . 1 . . . A 641 GLN H . 25722 1
62 . 1 1 15 15 GLN N N 15 118.2030 0.0000 . 1 . . . A 641 GLN N . 25722 1
63 . 1 1 17 17 LEU H H 1 7.1390 0.0000 . 1 . . . A 643 LEU H . 25722 1
64 . 1 1 17 17 LEU N N 15 119.1400 0.0000 . 1 . . . A 643 LEU N . 25722 1
65 . 1 1 18 18 GLU H H 1 8.8490 0.0000 . 1 . . . A 644 GLU H . 25722 1
66 . 1 1 18 18 GLU N N 15 120.1400 0.0000 . 1 . . . A 644 GLU N . 25722 1
67 . 1 1 19 19 VAL H H 1 7.9860 0.0000 . 1 . . . A 645 VAL H . 25722 1
68 . 1 1 19 19 VAL HA H 1 3.9940 0.0000 . 1 . . . A 645 VAL HA . 25722 1
69 . 1 1 19 19 VAL HB H 1 1.7960 0.0000 . 1 . . . A 645 VAL HB . 25722 1
70 . 1 1 19 19 VAL N N 15 119.3300 0.0000 . 1 . . . A 645 VAL N . 25722 1
71 . 1 1 20 20 PHE H H 1 8.0270 0.0000 . 1 . . . A 646 PHE H . 25722 1
72 . 1 1 20 20 PHE HA H 1 4.4010 0.0000 . 1 . . . A 646 PHE HA . 25722 1
73 . 1 1 20 20 PHE HB2 H 1 2.7480 0.0000 . 2 . . . A 646 PHE HB2 . 25722 1
74 . 1 1 20 20 PHE HB3 H 1 3.0300 0.0000 . 2 . . . A 646 PHE HB3 . 25722 1
75 . 1 1 20 20 PHE N N 15 115.4580 0.0000 . 1 . . . A 646 PHE N . 25722 1
76 . 1 1 21 21 TRP H H 1 7.0700 0.0000 . 1 . . . A 647 TRP H . 25722 1
77 . 1 1 21 21 TRP HA H 1 4.5800 0.0000 . 1 . . . A 647 TRP HA . 25722 1
78 . 1 1 21 21 TRP HB2 H 1 3.1640 0.0000 . 2 . . . A 647 TRP HB2 . 25722 1
79 . 1 1 21 21 TRP HB3 H 1 3.1640 0.0000 . 2 . . . A 647 TRP HB3 . 25722 1
80 . 1 1 21 21 TRP N N 15 120.2280 0.0000 . 1 . . . A 647 TRP N . 25722 1
81 . 1 1 22 22 GLY H H 1 8.2450 0.0000 . 1 . . . A 648 GLY H . 25722 1
82 . 1 1 22 22 GLY HA2 H 1 4.0400 0.0000 . 2 . . . A 648 GLY HA2 . 25722 1
83 . 1 1 22 22 GLY HA3 H 1 4.0400 0.0000 . 2 . . . A 648 GLY HA3 . 25722 1
84 . 1 1 22 22 GLY N N 15 108.0000 0.0000 . 1 . . . A 648 GLY N . 25722 1
85 . 1 1 23 23 GLN H H 1 7.6820 0.0000 . 1 . . . A 649 GLN H . 25722 1
86 . 1 1 23 23 GLN N N 15 119.5160 0.0000 . 1 . . . A 649 GLN N . 25722 1
87 . 1 1 24 24 ASP H H 1 7.8800 0.0000 . 1 . . . A 650 ASP H . 25722 1
88 . 1 1 24 24 ASP N N 15 114.5990 0.0000 . 1 . . . A 650 ASP N . 25722 1
89 . 1 1 25 25 HIS H H 1 8.9680 0.0000 . 1 . . . A 651 HIS H . 25722 1
90 . 1 1 25 25 HIS N N 15 126.8200 0.0000 . 1 . . . A 651 HIS N . 25722 1
91 . 1 1 26 26 LYS HA H 1 4.0250 0.0000 . 1 . . . A 652 LYS HA . 25722 1
92 . 1 1 26 26 LYS N N 15 119.7470 0.0000 . 1 . . . A 652 LYS N . 25722 1
93 . 1 1 27 27 VAL H H 1 8.2900 0.0000 . 1 . . . A 653 VAL H . 25722 1
94 . 1 1 27 27 VAL HA H 1 3.8100 0.0000 . 1 . . . A 653 VAL HA . 25722 1
95 . 1 1 27 27 VAL HG11 H 1 0.9900 0.0000 . 2 . . . A 653 VAL HG11 . 25722 1
96 . 1 1 27 27 VAL HG12 H 1 0.9900 0.0000 . 2 . . . A 653 VAL HG12 . 25722 1
97 . 1 1 27 27 VAL HG13 H 1 0.9900 0.0000 . 2 . . . A 653 VAL HG13 . 25722 1
98 . 1 1 27 27 VAL HG21 H 1 0.9900 0.0000 . 2 . . . A 653 VAL HG21 . 25722 1
99 . 1 1 27 27 VAL HG22 H 1 0.9900 0.0000 . 2 . . . A 653 VAL HG22 . 25722 1
100 . 1 1 27 27 VAL HG23 H 1 0.9900 0.0000 . 2 . . . A 653 VAL HG23 . 25722 1
101 . 1 1 27 27 VAL N N 15 120.5910 0.0000 . 1 . . . A 653 VAL N . 25722 1
102 . 1 1 28 28 ASP H H 1 7.8860 0.0000 . 1 . . . A 654 ASP H . 25722 1
103 . 1 1 28 28 ASP HA H 1 3.9940 0.0000 . 1 . . . A 654 ASP HA . 25722 1
104 . 1 1 28 28 ASP HB2 H 1 2.2900 0.0000 . 2 . . . A 654 ASP HB2 . 25722 1
105 . 1 1 28 28 ASP HB3 H 1 2.2900 0.0000 . 2 . . . A 654 ASP HB3 . 25722 1
106 . 1 1 28 28 ASP N N 15 119.9620 0.0000 . 1 . . . A 654 ASP N . 25722 1
107 . 1 1 29 29 PHE H H 1 8.3570 0.0000 . 1 . . . A 655 PHE H . 25722 1
108 . 1 1 29 29 PHE HA H 1 4.4600 0.0000 . 1 . . . A 655 PHE HA . 25722 1
109 . 1 1 29 29 PHE HB2 H 1 2.9800 0.0000 . 2 . . . A 655 PHE HB2 . 25722 1
110 . 1 1 29 29 PHE HB3 H 1 2.9800 0.0000 . 2 . . . A 655 PHE HB3 . 25722 1
111 . 1 1 29 29 PHE N N 15 123.2050 0.0000 . 1 . . . A 655 PHE N . 25722 1
112 . 1 1 30 30 ILE H H 1 7.1500 0.0000 . 1 . . . A 656 ILE H . 25722 1
113 . 1 1 30 30 ILE HA H 1 4.1300 0.0000 . 1 . . . A 656 ILE HA . 25722 1
114 . 1 1 30 30 ILE HB H 1 1.6000 0.0000 . 1 . . . A 656 ILE HB . 25722 1
115 . 1 1 30 30 ILE HG12 H 1 1.1800 0.0000 . 2 . . . A 656 ILE HG12 . 25722 1
116 . 1 1 30 30 ILE HG13 H 1 1.1800 0.0000 . 2 . . . A 656 ILE HG13 . 25722 1
117 . 1 1 30 30 ILE HG21 H 1 0.8400 0.0000 . 1 . . . A 656 ILE HG21 . 25722 1
118 . 1 1 30 30 ILE HG22 H 1 0.8400 0.0000 . 1 . . . A 656 ILE HG22 . 25722 1
119 . 1 1 30 30 ILE HG23 H 1 0.8400 0.0000 . 1 . . . A 656 ILE HG23 . 25722 1
120 . 1 1 30 30 ILE HD11 H 1 0.8400 0.0000 . 1 . . . A 656 ILE HD11 . 25722 1
121 . 1 1 30 30 ILE HD12 H 1 0.8400 0.0000 . 1 . . . A 656 ILE HD12 . 25722 1
122 . 1 1 30 30 ILE HD13 H 1 0.8400 0.0000 . 1 . . . A 656 ILE HD13 . 25722 1
123 . 1 1 30 30 ILE N N 15 122.3290 0.0000 . 1 . . . A 656 ILE N . 25722 1
124 . 1 1 31 31 LEU H H 1 9.0100 0.0000 . 1 . . . A 657 LEU H . 25722 1
125 . 1 1 31 31 LEU HA H 1 4.4020 0.0000 . 1 . . . A 657 LEU HA . 25722 1
126 . 1 1 31 31 LEU N N 15 123.1050 0.0000 . 1 . . . A 657 LEU N . 25722 1
127 . 1 1 32 32 GLN H H 1 6.9640 0.0000 . 1 . . . A 658 GLN H . 25722 1
128 . 1 1 32 32 GLN N N 15 114.5500 0.0000 . 1 . . . A 658 GLN N . 25722 1
129 . 1 1 33 33 ARG H H 1 7.4790 0.0000 . 1 . . . A 659 ARG H . 25722 1
130 . 1 1 33 33 ARG N N 15 116.0340 0.0000 . 1 . . . A 659 ARG N . 25722 1
131 . 1 1 34 34 GLU H H 1 8.8350 0.0000 . 1 . . . A 660 GLU H . 25722 1
132 . 1 1 34 34 GLU N N 15 117.6300 0.0000 . 1 . . . A 660 GLU N . 25722 1
133 . 1 1 36 36 TYR H H 1 8.2210 0.0000 . 1 . . . A 662 TYR H . 25722 1
134 . 1 1 36 36 TYR N N 15 119.8000 0.0000 . 1 . . . A 662 TYR N . 25722 1
135 . 1 1 37 37 CYS H H 1 8.2330 0.0000 . 1 . . . A 663 CYS H . 25722 1
136 . 1 1 37 37 CYS HA H 1 4.3300 0.0000 . 1 . . . A 663 CYS HA . 25722 1
137 . 1 1 37 37 CYS HB2 H 1 2.6100 0.0000 . 2 . . . A 663 CYS HB2 . 25722 1
138 . 1 1 37 37 CYS HB3 H 1 2.6100 0.0000 . 2 . . . A 663 CYS HB3 . 25722 1
139 . 1 1 37 37 CYS N N 15 118.3190 0.0000 . 1 . . . A 663 CYS N . 25722 1
140 . 1 1 38 38 ARG H H 1 7.2680 0.0000 . 1 . . . A 664 ARG H . 25722 1
141 . 1 1 38 38 ARG HA H 1 4.0860 0.0000 . 1 . . . A 664 ARG HA . 25722 1
142 . 1 1 38 38 ARG HD2 H 1 2.2090 0.0000 . 2 . . . A 664 ARG HD2 . 25722 1
143 . 1 1 38 38 ARG HD3 H 1 2.2090 0.0000 . 2 . . . A 664 ARG HD3 . 25722 1
144 . 1 1 38 38 ARG N N 15 114.3910 0.0000 . 1 . . . A 664 ARG N . 25722 1
145 . 1 1 39 39 ASP H H 1 8.6200 0.0000 . 1 . . . A 665 ASP H . 25722 1
146 . 1 1 39 39 ASP HA H 1 4.5900 0.0000 . 1 . . . A 665 ASP HA . 25722 1
147 . 1 1 39 39 ASP HB2 H 1 2.6200 0.0000 . 2 . . . A 665 ASP HB2 . 25722 1
148 . 1 1 39 39 ASP HB3 H 1 2.6200 0.0000 . 2 . . . A 665 ASP HB3 . 25722 1
149 . 1 1 39 39 ASP N N 15 122.8970 0.0000 . 1 . . . A 665 ASP N . 25722 1
150 . 1 1 40 40 ILE H H 1 6.9760 0.0000 . 1 . . . A 666 ILE H . 25722 1
151 . 1 1 40 40 ILE HA H 1 3.8100 0.0000 . 1 . . . A 666 ILE HA . 25722 1
152 . 1 1 40 40 ILE HG21 H 1 0.8200 0.0000 . 1 . . . A 666 ILE HG21 . 25722 1
153 . 1 1 40 40 ILE HG22 H 1 0.8200 0.0000 . 1 . . . A 666 ILE HG22 . 25722 1
154 . 1 1 40 40 ILE HG23 H 1 0.8200 0.0000 . 1 . . . A 666 ILE HG23 . 25722 1
155 . 1 1 40 40 ILE HD11 H 1 0.1500 0.0000 . 1 . . . A 666 ILE HD11 . 25722 1
156 . 1 1 40 40 ILE HD12 H 1 0.1500 0.0000 . 1 . . . A 666 ILE HD12 . 25722 1
157 . 1 1 40 40 ILE HD13 H 1 0.1500 0.0000 . 1 . . . A 666 ILE HD13 . 25722 1
158 . 1 1 40 40 ILE N N 15 116.6200 0.0000 . 1 . . . A 666 ILE N . 25722 1
159 . 1 1 41 41 ASN H H 1 7.3970 0.0000 . 1 . . . A 667 ASN H . 25722 1
160 . 1 1 41 41 ASN HA H 1 4.3200 0.0000 . 1 . . . A 667 ASN HA . 25722 1
161 . 1 1 41 41 ASN HB2 H 1 2.9180 0.0000 . 2 . . . A 667 ASN HB2 . 25722 1
162 . 1 1 41 41 ASN HB3 H 1 2.9180 0.0000 . 2 . . . A 667 ASN HB3 . 25722 1
163 . 1 1 41 41 ASN N N 15 124.7620 0.0000 . 1 . . . A 667 ASN N . 25722 1
164 . 1 1 42 42 GLN H H 1 7.2670 0.0000 . 1 . . . A 668 GLN H . 25722 1
165 . 1 1 42 42 GLN HA H 1 4.9330 0.0000 . 1 . . . A 668 GLN HA . 25722 1
166 . 1 1 42 42 GLN HB2 H 1 1.9710 0.0000 . 2 . . . A 668 GLN HB2 . 25722 1
167 . 1 1 42 42 GLN HB3 H 1 1.9710 0.0000 . 2 . . . A 668 GLN HB3 . 25722 1
168 . 1 1 42 42 GLN N N 15 114.3910 0.0000 . 1 . . . A 668 GLN N . 25722 1
169 . 1 1 43 43 LEU H H 1 8.3090 0.0000 . 1 . . . A 669 LEU H . 25722 1
170 . 1 1 43 43 LEU HA H 1 3.3600 0.0000 . 1 . . . A 669 LEU HA . 25722 1
171 . 1 1 43 43 LEU HB2 H 1 1.0000 0.0000 . 2 . . . A 669 LEU HB2 . 25722 1
172 . 1 1 43 43 LEU HB3 H 1 2.7100 0.0000 . 2 . . . A 669 LEU HB3 . 25722 1
173 . 1 1 43 43 LEU HG H 1 1.0000 0.0000 . 1 . . . A 669 LEU HG . 25722 1
174 . 1 1 43 43 LEU HD11 H 1 0.5100 0.0000 . 2 . . . A 669 LEU HD11 . 25722 1
175 . 1 1 43 43 LEU HD12 H 1 0.5100 0.0000 . 2 . . . A 669 LEU HD12 . 25722 1
176 . 1 1 43 43 LEU HD13 H 1 0.5100 0.0000 . 2 . . . A 669 LEU HD13 . 25722 1
177 . 1 1 43 43 LEU HD21 H 1 0.5100 0.0000 . 2 . . . A 669 LEU HD21 . 25722 1
178 . 1 1 43 43 LEU HD22 H 1 0.5100 0.0000 . 2 . . . A 669 LEU HD22 . 25722 1
179 . 1 1 43 43 LEU HD23 H 1 0.5100 0.0000 . 2 . . . A 669 LEU HD23 . 25722 1
180 . 1 1 43 43 LEU N N 15 121.3870 0.0000 . 1 . . . A 669 LEU N . 25722 1
181 . 1 1 44 44 SER H H 1 7.4480 0.0000 . 1 . . . A 670 SER H . 25722 1
182 . 1 1 44 44 SER HA H 1 4.3040 0.0000 . 1 . . . A 670 SER HA . 25722 1
183 . 1 1 44 44 SER HB2 H 1 3.9350 0.0000 . 2 . . . A 670 SER HB2 . 25722 1
184 . 1 1 44 44 SER HB3 H 1 3.9350 0.0000 . 2 . . . A 670 SER HB3 . 25722 1
185 . 1 1 44 44 SER N N 15 112.3050 0.0000 . 1 . . . A 670 SER N . 25722 1
186 . 1 1 45 45 GLU H H 1 7.8310 0.0000 . 1 . . . A 671 GLU H . 25722 1
187 . 1 1 45 45 GLU HA H 1 4.0110 0.0000 . 1 . . . A 671 GLU HA . 25722 1
188 . 1 1 45 45 GLU HB2 H 1 2.0030 0.0000 . 2 . . . A 671 GLU HB2 . 25722 1
189 . 1 1 45 45 GLU HB3 H 1 2.0030 0.0000 . 2 . . . A 671 GLU HB3 . 25722 1
190 . 1 1 45 45 GLU HG2 H 1 2.3790 0.0000 . 2 . . . A 671 GLU HG2 . 25722 1
191 . 1 1 45 45 GLU HG3 H 1 2.3790 0.0000 . 2 . . . A 671 GLU HG3 . 25722 1
192 . 1 1 45 45 GLU N N 15 120.7490 0.0000 . 1 . . . A 671 GLU N . 25722 1
193 . 1 1 46 46 ALA H H 1 7.7280 0.0000 . 1 . . . A 672 ALA H . 25722 1
194 . 1 1 46 46 ALA HA H 1 4.0840 0.0000 . 1 . . . A 672 ALA HA . 25722 1
195 . 1 1 46 46 ALA HB1 H 1 1.4300 0.0000 . 1 . . . A 672 ALA HB1 . 25722 1
196 . 1 1 46 46 ALA HB2 H 1 1.4300 0.0000 . 1 . . . A 672 ALA HB2 . 25722 1
197 . 1 1 46 46 ALA HB3 H 1 1.4300 0.0000 . 1 . . . A 672 ALA HB3 . 25722 1
198 . 1 1 46 46 ALA N N 15 119.6880 0.0000 . 1 . . . A 672 ALA N . 25722 1
199 . 1 1 47 47 LEU H H 1 8.1660 0.0000 . 1 . . . A 673 LEU H . 25722 1
200 . 1 1 47 47 LEU HA H 1 3.3700 0.0000 . 1 . . . A 673 LEU HA . 25722 1
201 . 1 1 47 47 LEU HB2 H 1 1.8700 0.0000 . 2 . . . A 673 LEU HB2 . 25722 1
202 . 1 1 47 47 LEU HB3 H 1 1.8700 0.0000 . 2 . . . A 673 LEU HB3 . 25722 1
203 . 1 1 47 47 LEU HD11 H 1 0.9230 0.0000 . 2 . . . A 673 LEU HD11 . 25722 1
204 . 1 1 47 47 LEU HD12 H 1 0.9230 0.0000 . 2 . . . A 673 LEU HD12 . 25722 1
205 . 1 1 47 47 LEU HD13 H 1 0.9230 0.0000 . 2 . . . A 673 LEU HD13 . 25722 1
206 . 1 1 47 47 LEU HD21 H 1 0.9230 0.0000 . 2 . . . A 673 LEU HD21 . 25722 1
207 . 1 1 47 47 LEU HD22 H 1 0.9230 0.0000 . 2 . . . A 673 LEU HD22 . 25722 1
208 . 1 1 47 47 LEU HD23 H 1 0.9230 0.0000 . 2 . . . A 673 LEU HD23 . 25722 1
209 . 1 1 47 47 LEU N N 15 119.2580 0.0000 . 1 . . . A 673 LEU N . 25722 1
210 . 1 1 48 48 LEU H H 1 7.7800 0.0000 . 1 . . . A 674 LEU H . 25722 1
211 . 1 1 48 48 LEU HA H 1 3.8260 0.0000 . 1 . . . A 674 LEU HA . 25722 1
212 . 1 1 48 48 LEU N N 15 121.4990 0.0000 . 1 . . . A 674 LEU N . 25722 1
213 . 1 1 49 49 SER H H 1 8.2770 0.0000 . 1 . . . A 675 SER H . 25722 1
214 . 1 1 49 49 SER HA H 1 4.6940 0.0000 . 1 . . . A 675 SER HA . 25722 1
215 . 1 1 49 49 SER HB2 H 1 3.8920 0.0000 . 2 . . . A 675 SER HB2 . 25722 1
216 . 1 1 49 49 SER HB3 H 1 3.8920 0.0000 . 2 . . . A 675 SER HB3 . 25722 1
217 . 1 1 49 49 SER N N 15 109.7420 0.0000 . 1 . . . A 675 SER N . 25722 1
218 . 1 1 50 50 LEU H H 1 7.7800 0.0000 . 1 . . . A 676 LEU H . 25722 1
219 . 1 1 50 50 LEU HA H 1 4.0450 0.0000 . 1 . . . A 676 LEU HA . 25722 1
220 . 1 1 50 50 LEU HB2 H 1 1.4600 0.0000 . 2 . . . A 676 LEU HB2 . 25722 1
221 . 1 1 50 50 LEU HB3 H 1 1.4600 0.0000 . 2 . . . A 676 LEU HB3 . 25722 1
222 . 1 1 50 50 LEU HG H 1 1.4600 0.0000 . 1 . . . A 676 LEU HG . 25722 1
223 . 1 1 50 50 LEU N N 15 121.8110 0.0000 . 1 . . . A 676 LEU N . 25722 1
224 . 1 1 51 51 ASN H H 1 7.7100 0.0000 . 1 . . . A 677 ASN H . 25722 1
225 . 1 1 51 51 ASN HA H 1 4.8050 0.0000 . 1 . . . A 677 ASN HA . 25722 1
226 . 1 1 51 51 ASN HB2 H 1 2.4820 0.0000 . 2 . . . A 677 ASN HB2 . 25722 1
227 . 1 1 51 51 ASN HB3 H 1 2.7910 0.0000 . 2 . . . A 677 ASN HB3 . 25722 1
228 . 1 1 51 51 ASN N N 15 122.5260 0.0000 . 1 . . . A 677 ASN N . 25722 1
229 . 1 1 52 52 PHE H H 1 9.3000 0.0000 . 1 . . . A 678 PHE H . 25722 1
230 . 1 1 52 52 PHE HA H 1 4.4700 0.0000 . 1 . . . A 678 PHE HA . 25722 1
231 . 1 1 52 52 PHE N N 15 128.5500 0.0000 . 1 . . . A 678 PHE N . 25722 1
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