###################################
# 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 34653
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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-1H TOCSY' . . . 34653 1
2 '2D 1H-1H NOESY' . . . 34653 1
3 '2D 1H-13C HSQC' . . . 34653 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 1 1 GLY HA2 H 1 3.817 0.022 . . . . . . A 482 GLY HA2 . 34653 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.817 0.022 . . . . . . A 482 GLY HA3 . 34653 1
3 . 1 . 1 1 1 GLY CA C 13 41.955 0.000 . . . . . . A 482 GLY CA . 34653 1
4 . 1 . 1 2 2 VAL H H 1 8.056 0.003 . . . . . . A 483 VAL H . 34653 1
5 . 1 . 1 2 2 VAL HA H 1 4.076 0.005 . . . . . . A 483 VAL HA . 34653 1
6 . 1 . 1 2 2 VAL HB H 1 1.987 0.015 . . . . . . A 483 VAL HB . 34653 1
7 . 1 . 1 2 2 VAL HG11 H 1 0.849 0.013 . . . . . . A 483 VAL HG11 . 34653 1
8 . 1 . 1 2 2 VAL HG12 H 1 0.849 0.013 . . . . . . A 483 VAL HG12 . 34653 1
9 . 1 . 1 2 2 VAL HG13 H 1 0.849 0.013 . . . . . . A 483 VAL HG13 . 34653 1
10 . 1 . 1 2 2 VAL HG21 H 1 0.849 0.013 . . . . . . A 483 VAL HG21 . 34653 1
11 . 1 . 1 2 2 VAL HG22 H 1 0.849 0.013 . . . . . . A 483 VAL HG22 . 34653 1
12 . 1 . 1 2 2 VAL HG23 H 1 0.849 0.013 . . . . . . A 483 VAL HG23 . 34653 1
13 . 1 . 1 2 2 VAL CA C 13 61.440 0.000 . . . . . . A 483 VAL CA . 34653 1
14 . 1 . 1 2 2 VAL CB C 13 31.509 0.000 . . . . . . A 483 VAL CB . 34653 1
15 . 1 . 1 2 2 VAL CG2 C 13 18.785 0.000 . . . . . . A 483 VAL CG2 . 34653 1
16 . 1 . 1 3 3 LYS H H 1 7.962 0.005 . . . . . . A 484 LYS H . 34653 1
17 . 1 . 1 3 3 LYS HA H 1 4.249 0.013 . . . . . . A 484 LYS HA . 34653 1
18 . 1 . 1 3 3 LYS HB2 H 1 1.775 0.005 . . . . . . A 484 LYS HB2 . 34653 1
19 . 1 . 1 3 3 LYS HB3 H 1 1.689 0.006 . . . . . . A 484 LYS HB3 . 34653 1
20 . 1 . 1 3 3 LYS HG2 H 1 1.380 0.023 . . . . . . A 484 LYS HG2 . 34653 1
21 . 1 . 1 3 3 LYS HG3 H 1 1.353 0.007 . . . . . . A 484 LYS HG3 . 34653 1
22 . 1 . 1 3 3 LYS HD2 H 1 1.624 0.002 . . . . . . A 484 LYS HD2 . 34653 1
23 . 1 . 1 3 3 LYS HD3 H 1 1.624 0.002 . . . . . . A 484 LYS HD3 . 34653 1
24 . 1 . 1 3 3 LYS HE2 H 1 2.905 0.013 . . . . . . A 484 LYS HE2 . 34653 1
25 . 1 . 1 3 3 LYS HE3 H 1 2.905 0.013 . . . . . . A 484 LYS HE3 . 34653 1
26 . 1 . 1 3 3 LYS CA C 13 55.135 0.000 . . . . . . A 484 LYS CA . 34653 1
27 . 1 . 1 3 3 LYS CB C 13 31.519 0.021 . . . . . . A 484 LYS CB . 34653 1
28 . 1 . 1 3 3 LYS CG C 13 23.200 0.022 . . . . . . A 484 LYS CG . 34653 1
29 . 1 . 1 3 3 LYS CD C 13 27.586 0.000 . . . . . . A 484 LYS CD . 34653 1
30 . 1 . 1 3 3 LYS CE C 13 40.683 0.000 . . . . . . A 484 LYS CE . 34653 1
31 . 1 . 1 4 4 GLY H H 1 7.926 0.006 . . . . . . A 485 GLY H . 34653 1
32 . 1 . 1 4 4 GLY HA2 H 1 3.783 0.019 . . . . . . A 485 GLY HA2 . 34653 1
33 . 1 . 1 4 4 GLY HA3 H 1 3.783 0.019 . . . . . . A 485 GLY HA3 . 34653 1
34 . 1 . 1 4 4 GLY CA C 13 43.705 0.000 . . . . . . A 485 GLY CA . 34653 1
35 . 1 . 1 5 5 PHE H H 1 7.657 0.008 . . . . . . A 486 PHE H . 34653 1
36 . 1 . 1 5 5 PHE HA H 1 4.516 0.011 . . . . . . A 486 PHE HA . 34653 1
37 . 1 . 1 5 5 PHE HB2 H 1 3.012 0.020 . . . . . . A 486 PHE HB2 . 34653 1
38 . 1 . 1 5 5 PHE HB3 H 1 3.012 0.020 . . . . . . A 486 PHE HB3 . 34653 1
39 . 1 . 1 5 5 PHE HD1 H 1 7.092 0.000 . . . . . . A 486 PHE HD1 . 34653 1
40 . 1 . 1 5 5 PHE HD2 H 1 7.092 0.000 . . . . . . A 486 PHE HD2 . 34653 1
41 . 1 . 1 5 5 PHE HE1 H 1 7.183 0.000 . . . . . . A 486 PHE HE1 . 34653 1
42 . 1 . 1 5 5 PHE HE2 H 1 7.183 0.000 . . . . . . A 486 PHE HE2 . 34653 1
43 . 1 . 1 5 5 PHE CA C 13 56.487 0.000 . . . . . . A 486 PHE CA . 34653 1
44 . 1 . 1 5 5 PHE CB C 13 38.136 0.000 . . . . . . A 486 PHE CB . 34653 1
45 . 1 . 1 6 6 ASN H H 1 7.960 0.006 . . . . . . A 487 ASN H . 34653 1
46 . 1 . 1 6 6 ASN HA H 1 4.518 0.010 . . . . . . A 487 ASN HA . 34653 1
47 . 1 . 1 6 6 ASN HB2 H 1 2.614 0.003 . . . . . . A 487 ASN HB2 . 34653 1
48 . 1 . 1 6 6 ASN HB3 H 1 2.614 0.003 . . . . . . A 487 ASN HB3 . 34653 1
49 . 1 . 1 6 6 ASN CA C 13 51.930 0.000 . . . . . . A 487 ASN CA . 34653 1
50 . 1 . 1 6 6 ASN CB C 13 37.100 0.000 . . . . . . A 487 ASN CB . 34653 1
51 . 1 . 1 7 7 CYS H H 1 7.669 0.005 . . . . . . A 488 CYS H . 34653 1
52 . 1 . 1 7 7 CYS HA H 1 4.297 0.010 . . . . . . A 488 CYS HA . 34653 1
53 . 1 . 1 7 7 CYS HB2 H 1 2.745 0.004 . . . . . . A 488 CYS HB2 . 34653 1
54 . 1 . 1 7 7 CYS HB3 H 1 2.646 0.020 . . . . . . A 488 CYS HB3 . 34653 1
55 . 1 . 1 7 7 CYS CA C 13 57.066 0.000 . . . . . . A 488 CYS CA . 34653 1
56 . 1 . 1 7 7 CYS CB C 13 26.130 0.045 . . . . . . A 488 CYS CB . 34653 1
57 . 1 . 1 8 8 TYR H H 1 7.744 0.017 . . . . . . A 489 TYR H . 34653 1
58 . 1 . 1 8 8 TYR HA H 1 4.508 0.007 . . . . . . A 489 TYR HA . 34653 1
59 . 1 . 1 8 8 TYR HB2 H 1 2.967 0.013 . . . . . . A 489 TYR HB2 . 34653 1
60 . 1 . 1 8 8 TYR HB3 H 1 2.790 0.017 . . . . . . A 489 TYR HB3 . 34653 1
61 . 1 . 1 8 8 TYR HD1 H 1 5.990 0.999 . . . . . . A 489 TYR HD1 . 34653 1
62 . 1 . 1 8 8 TYR HD2 H 1 5.990 0.999 . . . . . . A 489 TYR HD2 . 34653 1
63 . 1 . 1 8 8 TYR HE1 H 1 6.964 0.013 . . . . . . A 489 TYR HE1 . 34653 1
64 . 1 . 1 8 8 TYR HE2 H 1 6.964 0.013 . . . . . . A 489 TYR HE2 . 34653 1
65 . 1 . 1 8 8 TYR CA C 13 56.481 0.000 . . . . . . A 489 TYR CA . 34653 1
66 . 1 . 1 8 8 TYR CB C 13 37.227 0.045 . . . . . . A 489 TYR CB . 34653 1
67 . 1 . 1 9 9 PHE H H 1 8.018 0.001 . . . . . . A 490 PHE H . 34653 1
68 . 1 . 1 9 9 PHE HA H 1 4.581 0.000 . . . . . . A 490 PHE HA . 34653 1
69 . 1 . 1 9 9 PHE HB2 H 1 2.747 0.013 . . . . . . A 490 PHE HB2 . 34653 1
70 . 1 . 1 9 9 PHE HB3 H 1 2.747 0.013 . . . . . . A 490 PHE HB3 . 34653 1
71 . 1 . 1 9 9 PHE CB C 13 37.213 0.000 . . . . . . A 490 PHE CB . 34653 1
72 . 1 . 1 10 10 PRO HA H 1 4.211 0.021 . . . . . . A 491 PRO HA . 34653 1
73 . 1 . 1 10 10 PRO HB2 H 1 2.188 0.011 . . . . . . A 491 PRO HB2 . 34653 1
74 . 1 . 1 10 10 PRO HB3 H 1 1.773 0.007 . . . . . . A 491 PRO HB3 . 34653 1
75 . 1 . 1 10 10 PRO HG2 H 1 1.839 0.006 . . . . . . A 491 PRO HG2 . 34653 1
76 . 1 . 1 10 10 PRO HG3 H 1 1.839 0.006 . . . . . . A 491 PRO HG3 . 34653 1
77 . 1 . 1 10 10 PRO HD2 H 1 3.550 0.016 . . . . . . A 491 PRO HD2 . 34653 1
78 . 1 . 1 10 10 PRO HD3 H 1 3.202 0.006 . . . . . . A 491 PRO HD3 . 34653 1
79 . 1 . 1 10 10 PRO CA C 13 62.952 0.000 . . . . . . A 491 PRO CA . 34653 1
80 . 1 . 1 10 10 PRO CB C 13 30.005 0.076 . . . . . . A 491 PRO CB . 34653 1
81 . 1 . 1 10 10 PRO CG C 13 25.737 0.000 . . . . . . A 491 PRO CG . 34653 1
82 . 1 . 1 10 10 PRO CD C 13 49.125 0.000 . . . . . . A 491 PRO CD . 34653 1
83 . 1 . 1 11 11 LEU H H 1 6.771 0.008 . . . . . . A 492 LEU H . 34653 1
84 . 1 . 1 11 11 LEU HA H 1 4.143 0.009 . . . . . . A 492 LEU HA . 34653 1
85 . 1 . 1 11 11 LEU HB2 H 1 1.536 0.014 . . . . . . A 492 LEU HB2 . 34653 1
86 . 1 . 1 11 11 LEU HB3 H 1 1.536 0.014 . . . . . . A 492 LEU HB3 . 34653 1
87 . 1 . 1 11 11 LEU HD11 H 1 0.842 0.008 . . . . . . A 492 LEU HD11 . 34653 1
88 . 1 . 1 11 11 LEU HD12 H 1 0.842 0.008 . . . . . . A 492 LEU HD12 . 34653 1
89 . 1 . 1 11 11 LEU HD13 H 1 0.842 0.008 . . . . . . A 492 LEU HD13 . 34653 1
90 . 1 . 1 11 11 LEU HD21 H 1 0.766 0.004 . . . . . . A 492 LEU HD21 . 34653 1
91 . 1 . 1 11 11 LEU HD22 H 1 0.766 0.004 . . . . . . A 492 LEU HD22 . 34653 1
92 . 1 . 1 11 11 LEU HD23 H 1 0.766 0.004 . . . . . . A 492 LEU HD23 . 34653 1
93 . 1 . 1 11 11 LEU CA C 13 55.087 0.000 . . . . . . A 492 LEU CA . 34653 1
94 . 1 . 1 11 11 LEU CB C 13 40.389 0.000 . . . . . . A 492 LEU CB . 34653 1
95 . 1 . 1 11 11 LEU CD1 C 13 22.437 0.000 . . . . . . A 492 LEU CD1 . 34653 1
96 . 1 . 1 11 11 LEU CD2 C 13 21.001 0.000 . . . . . . A 492 LEU CD2 . 34653 1
97 . 1 . 1 12 12 GLN H H 1 7.973 0.006 . . . . . . A 493 GLN H . 34653 1
98 . 1 . 1 12 12 GLN HA H 1 4.152 0.012 . . . . . . A 493 GLN HA . 34653 1
99 . 1 . 1 12 12 GLN HB2 H 1 2.023 0.012 . . . . . . A 493 GLN HB2 . 34653 1
100 . 1 . 1 12 12 GLN HB3 H 1 2.023 0.012 . . . . . . A 493 GLN HB3 . 34653 1
101 . 1 . 1 12 12 GLN HG2 H 1 2.294 0.015 . . . . . . A 493 GLN HG2 . 34653 1
102 . 1 . 1 12 12 GLN HG3 H 1 2.294 0.015 . . . . . . A 493 GLN HG3 . 34653 1
103 . 1 . 1 12 12 GLN CA C 13 55.769 0.000 . . . . . . A 493 GLN CA . 34653 1
104 . 1 . 1 12 12 GLN CB C 13 27.687 0.000 . . . . . . A 493 GLN CB . 34653 1
105 . 1 . 1 12 12 GLN CG C 13 32.463 0.000 . . . . . . A 493 GLN CG . 34653 1
106 . 1 . 1 13 13 SER H H 1 7.811 0.017 . . . . . . A 494 SER H . 34653 1
107 . 1 . 1 13 13 SER HA H 1 4.241 0.017 . . . . . . A 494 SER HA . 34653 1
108 . 1 . 1 13 13 SER HB2 H 1 3.789 0.014 . . . . . . A 494 SER HB2 . 34653 1
109 . 1 . 1 13 13 SER HB3 H 1 3.678 0.016 . . . . . . A 494 SER HB3 . 34653 1
110 . 1 . 1 13 13 SER CA C 13 57.762 0.000 . . . . . . A 494 SER CA . 34653 1
111 . 1 . 1 13 13 SER CB C 13 62.361 0.013 . . . . . . A 494 SER CB . 34653 1
112 . 1 . 1 14 14 TYR H H 1 7.664 0.007 . . . . . . A 495 TYR H . 34653 1
113 . 1 . 1 14 14 TYR HA H 1 4.394 0.004 . . . . . . A 495 TYR HA . 34653 1
114 . 1 . 1 14 14 TYR HB2 H 1 2.950 0.020 . . . . . . A 495 TYR HB2 . 34653 1
115 . 1 . 1 14 14 TYR HB3 H 1 2.950 0.020 . . . . . . A 495 TYR HB3 . 34653 1
116 . 1 . 1 14 14 TYR HD1 H 1 6.704 0.000 . . . . . . A 495 TYR HD1 . 34653 1
117 . 1 . 1 14 14 TYR HD2 H 1 6.704 0.000 . . . . . . A 495 TYR HD2 . 34653 1
118 . 1 . 1 14 14 TYR HE1 H 1 6.975 0.000 . . . . . . A 495 TYR HE1 . 34653 1
119 . 1 . 1 14 14 TYR HE2 H 1 6.975 0.000 . . . . . . A 495 TYR HE2 . 34653 1
120 . 1 . 1 14 14 TYR CB C 13 37.774 0.000 . . . . . . A 495 TYR CB . 34653 1
121 . 1 . 1 15 15 GLY H H 1 7.772 0.009 . . . . . . A 496 GLY H . 34653 1
122 . 1 . 1 15 15 GLY HA2 H 1 3.742 0.021 . . . . . . A 496 GLY HA2 . 34653 1
123 . 1 . 1 15 15 GLY HA3 H 1 3.742 0.021 . . . . . . A 496 GLY HA3 . 34653 1
124 . 1 . 1 15 15 GLY CA C 13 41.776 0.000 . . . . . . A 496 GLY CA . 34653 1
125 . 1 . 1 16 16 PHE H H 1 7.497 0.008 . . . . . . A 497 PHE H . 34653 1
126 . 1 . 1 16 16 PHE HA H 1 4.428 0.005 . . . . . . A 497 PHE HA . 34653 1
127 . 1 . 1 16 16 PHE HB2 H 1 2.990 0.012 . . . . . . A 497 PHE HB2 . 34653 1
128 . 1 . 1 16 16 PHE HB3 H 1 2.990 0.012 . . . . . . A 497 PHE HB3 . 34653 1
129 . 1 . 1 16 16 PHE HD1 H 1 7.099 0.000 . . . . . . A 497 PHE HD1 . 34653 1
130 . 1 . 1 16 16 PHE HD2 H 1 7.099 0.000 . . . . . . A 497 PHE HD2 . 34653 1
131 . 1 . 1 16 16 PHE HE1 H 1 7.185 0.000 . . . . . . A 497 PHE HE1 . 34653 1
132 . 1 . 1 16 16 PHE HE2 H 1 7.185 0.000 . . . . . . A 497 PHE HE2 . 34653 1
133 . 1 . 1 16 16 PHE CB C 13 38.083 0.000 . . . . . . A 497 PHE CB . 34653 1
134 . 1 . 1 17 17 GLN H H 1 7.485 0.004 . . . . . . A 498 GLN H . 34653 1
135 . 1 . 1 17 17 GLN HA H 1 4.476 0.009 . . . . . . A 498 GLN HA . 34653 1
136 . 1 . 1 17 17 GLN HB2 H 1 1.956 0.009 . . . . . . A 498 GLN HB2 . 34653 1
137 . 1 . 1 17 17 GLN HB3 H 1 1.753 0.005 . . . . . . A 498 GLN HB3 . 34653 1
138 . 1 . 1 17 17 GLN HG2 H 1 2.239 0.013 . . . . . . A 498 GLN HG2 . 34653 1
139 . 1 . 1 17 17 GLN HG3 H 1 2.239 0.013 . . . . . . A 498 GLN HG3 . 34653 1
140 . 1 . 1 17 17 GLN CB C 13 27.913 0.026 . . . . . . A 498 GLN CB . 34653 1
141 . 1 . 1 17 17 GLN CG C 13 32.278 0.000 . . . . . . A 498 GLN CG . 34653 1
142 . 1 . 1 18 18 PRO HA H 1 4.242 0.017 . . . . . . A 499 PRO HA . 34653 1
143 . 1 . 1 18 18 PRO HB2 H 1 2.126 0.010 . . . . . . A 499 PRO HB2 . 34653 1
144 . 1 . 1 18 18 PRO HB3 H 1 1.816 0.010 . . . . . . A 499 PRO HB3 . 34653 1
145 . 1 . 1 18 18 PRO HG2 H 1 1.906 0.001 . . . . . . A 499 PRO HG2 . 34653 1
146 . 1 . 1 18 18 PRO HG3 H 1 1.906 0.001 . . . . . . A 499 PRO HG3 . 34653 1
147 . 1 . 1 18 18 PRO HD3 H 1 3.475 0.007 . . . . . . A 499 PRO HD3 . 34653 1
148 . 1 . 1 18 18 PRO CA C 13 62.346 0.000 . . . . . . A 499 PRO CA . 34653 1
149 . 1 . 1 18 18 PRO CB C 13 30.019 0.020 . . . . . . A 499 PRO CB . 34653 1
150 . 1 . 1 18 18 PRO CG C 13 25.508 0.000 . . . . . . A 499 PRO CG . 34653 1
151 . 1 . 1 18 18 PRO CD C 13 48.892 0.000 . . . . . . A 499 PRO CD . 34653 1
152 . 1 . 1 19 19 THR H H 1 7.408 0.006 . . . . . . A 500 THR H . 34653 1
153 . 1 . 1 19 19 THR HA H 1 4.159 0.011 . . . . . . A 500 THR HA . 34653 1
154 . 1 . 1 19 19 THR HB H 1 4.109 0.026 . . . . . . A 500 THR HB . 34653 1
155 . 1 . 1 19 19 THR HG21 H 1 1.051 0.012 . . . . . . A 500 THR HG21 . 34653 1
156 . 1 . 1 19 19 THR HG22 H 1 1.051 0.012 . . . . . . A 500 THR HG22 . 34653 1
157 . 1 . 1 19 19 THR HG23 H 1 1.051 0.012 . . . . . . A 500 THR HG23 . 34653 1
158 . 1 . 1 19 19 THR CA C 13 60.288 0.000 . . . . . . A 500 THR CA . 34653 1
159 . 1 . 1 19 19 THR CB C 13 68.240 0.000 . . . . . . A 500 THR CB . 34653 1
160 . 1 . 1 19 19 THR CG2 C 13 19.413 0.000 . . . . . . A 500 THR CG2 . 34653 1
161 . 1 . 1 20 20 TYR H H 1 7.604 0.004 . . . . . . A 501 TYR H . 34653 1
162 . 1 . 1 20 20 TYR HA H 1 4.384 0.007 . . . . . . A 501 TYR HA . 34653 1
163 . 1 . 1 20 20 TYR HB2 H 1 2.967 0.005 . . . . . . A 501 TYR HB2 . 34653 1
164 . 1 . 1 20 20 TYR HB3 H 1 2.897 0.011 . . . . . . A 501 TYR HB3 . 34653 1
165 . 1 . 1 20 20 TYR HD1 H 1 6.701 0.001 . . . . . . A 501 TYR HD1 . 34653 1
166 . 1 . 1 20 20 TYR HD2 H 1 6.701 0.001 . . . . . . A 501 TYR HD2 . 34653 1
167 . 1 . 1 20 20 TYR HE1 H 1 6.970 0.007 . . . . . . A 501 TYR HE1 . 34653 1
168 . 1 . 1 20 20 TYR HE2 H 1 6.970 0.007 . . . . . . A 501 TYR HE2 . 34653 1
169 . 1 . 1 20 20 TYR CB C 13 37.160 0.001 . . . . . . A 501 TYR CB . 34653 1
170 . 1 . 1 21 21 GLY H H 1 7.774 0.001 . . . . . . A 502 GLY H . 34653 1
171 . 1 . 1 21 21 GLY HA2 H 1 3.860 0.003 . . . . . . A 502 GLY HA2 . 34653 1
172 . 1 . 1 21 21 GLY HA3 H 1 3.860 0.003 . . . . . . A 502 GLY HA3 . 34653 1
173 . 1 . 1 21 21 GLY CA C 13 43.661 0.000 . . . . . . A 502 GLY CA . 34653 1
174 . 1 . 1 22 22 VAL H H 1 7.472 0.004 . . . . . . A 503 VAL H . 34653 1
175 . 1 . 1 22 22 VAL HA H 1 3.964 0.012 . . . . . . A 503 VAL HA . 34653 1
176 . 1 . 1 22 22 VAL HB H 1 2.005 0.009 . . . . . . A 503 VAL HB . 34653 1
177 . 1 . 1 22 22 VAL HG11 H 1 0.849 0.015 . . . . . . A 503 VAL HG11 . 34653 1
178 . 1 . 1 22 22 VAL HG12 H 1 0.849 0.015 . . . . . . A 503 VAL HG12 . 34653 1
179 . 1 . 1 22 22 VAL HG13 H 1 0.849 0.015 . . . . . . A 503 VAL HG13 . 34653 1
180 . 1 . 1 22 22 VAL HG21 H 1 0.849 0.015 . . . . . . A 503 VAL HG21 . 34653 1
181 . 1 . 1 22 22 VAL HG22 H 1 0.849 0.015 . . . . . . A 503 VAL HG22 . 34653 1
182 . 1 . 1 22 22 VAL HG23 H 1 0.849 0.015 . . . . . . A 503 VAL HG23 . 34653 1
183 . 1 . 1 22 22 VAL CA C 13 61.659 0.000 . . . . . . A 503 VAL CA . 34653 1
184 . 1 . 1 22 22 VAL CB C 13 31.073 0.000 . . . . . . A 503 VAL CB . 34653 1
185 . 1 . 1 22 22 VAL CG2 C 13 18.377 0.000 . . . . . . A 503 VAL CG2 . 34653 1
186 . 1 . 1 23 23 GLY H H 1 7.931 0.002 . . . . . . A 504 GLY H . 34653 1
187 . 1 . 1 23 23 GLY HA2 H 1 3.891 0.024 . . . . . . A 504 GLY HA2 . 34653 1
188 . 1 . 1 23 23 GLY HA3 H 1 3.713 0.005 . . . . . . A 504 GLY HA3 . 34653 1
189 . 1 . 1 23 23 GLY CA C 13 43.710 0.045 . . . . . . A 504 GLY CA . 34653 1
190 . 1 . 1 24 24 TYR H H 1 7.511 0.009 . . . . . . A 505 TYR H . 34653 1
191 . 1 . 1 24 24 TYR HA H 1 4.498 0.017 . . . . . . A 505 TYR HA . 34653 1
192 . 1 . 1 24 24 TYR HB2 H 1 2.891 0.007 . . . . . . A 505 TYR HB2 . 34653 1
193 . 1 . 1 24 24 TYR HB3 H 1 2.891 0.007 . . . . . . A 505 TYR HB3 . 34653 1
194 . 1 . 1 24 24 TYR HD1 H 1 6.708 0.000 . . . . . . A 505 TYR HD1 . 34653 1
195 . 1 . 1 24 24 TYR HD2 H 1 6.708 0.000 . . . . . . A 505 TYR HD2 . 34653 1
196 . 1 . 1 24 24 TYR HE1 H 1 6.954 0.000 . . . . . . A 505 TYR HE1 . 34653 1
197 . 1 . 1 24 24 TYR HE2 H 1 6.954 0.000 . . . . . . A 505 TYR HE2 . 34653 1
198 . 1 . 1 24 24 TYR CB C 13 37.184 0.000 . . . . . . A 505 TYR CB . 34653 1
199 . 1 . 1 25 25 GLN H H 1 7.696 0.016 . . . . . . A 506 GLN H . 34653 1
200 . 1 . 1 25 25 GLN HA H 1 4.242 0.010 . . . . . . A 506 GLN HA . 34653 1
201 . 1 . 1 25 25 GLN HB2 H 1 2.063 0.010 . . . . . . A 506 GLN HB2 . 34653 1
202 . 1 . 1 25 25 GLN HB3 H 1 1.880 0.009 . . . . . . A 506 GLN HB3 . 34653 1
203 . 1 . 1 25 25 GLN HG2 H 1 2.217 0.019 . . . . . . A 506 GLN HG2 . 34653 1
204 . 1 . 1 25 25 GLN HG3 H 1 2.217 0.019 . . . . . . A 506 GLN HG3 . 34653 1
205 . 1 . 1 25 25 GLN CA C 13 53.784 0.000 . . . . . . A 506 GLN CA . 34653 1
206 . 1 . 1 25 25 GLN CB C 13 27.941 0.074 . . . . . . A 506 GLN CB . 34653 1
207 . 1 . 1 25 25 GLN CG C 13 31.953 0.000 . . . . . . A 506 GLN CG . 34653 1
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