###################################
# 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 25681
_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-1H NOESY' . . . 25681 1
2 '2D 1H-1H TOCSY' . . . 25681 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 8.286 0.000 . . . . . A 428 GLY H1 . 25681 1
2 . 1 1 1 1 GLY HA3 H 1 3.736 0.000 . . . . . A 428 GLY HA3 . 25681 1
3 . 1 1 2 2 ALA H H 1 8.092 0.000 . . . . . A 429 ALA H . 25681 1
4 . 1 1 2 2 ALA HA H 1 4.159 0.000 . . . . . A 429 ALA HA . 25681 1
5 . 1 1 2 2 ALA HB1 H 1 1.176 0.000 . . . . . A 429 ALA HB1 . 25681 1
6 . 1 1 2 2 ALA HB2 H 1 1.176 0.000 . . . . . A 429 ALA HB2 . 25681 1
7 . 1 1 2 2 ALA HB3 H 1 1.176 0.000 . . . . . A 429 ALA HB3 . 25681 1
8 . 1 1 3 3 THR H H 1 8.045 0.000 . . . . . A 430 THR H . 25681 1
9 . 1 1 3 3 THR HA H 1 4.095 0.000 . . . . . A 430 THR HA . 25681 1
10 . 1 1 3 3 THR HB H 1 3.989 0.000 . . . . . A 430 THR HB . 25681 1
11 . 1 1 3 3 THR HG21 H 1 0.987 0.000 . . . . . A 430 THR HG21 . 25681 1
12 . 1 1 3 3 THR HG22 H 1 0.987 0.000 . . . . . A 430 THR HG22 . 25681 1
13 . 1 1 3 3 THR HG23 H 1 0.987 0.000 . . . . . A 430 THR HG23 . 25681 1
14 . 1 1 4 4 ALA H H 1 8.170 0.000 . . . . . A 431 ALA H . 25681 1
15 . 1 1 4 4 ALA HA H 1 4.148 0.000 . . . . . A 431 ALA HA . 25681 1
16 . 1 1 4 4 ALA HB1 H 1 1.176 0.000 . . . . . A 431 ALA HB1 . 25681 1
17 . 1 1 4 4 ALA HB2 H 1 1.176 0.000 . . . . . A 431 ALA HB2 . 25681 1
18 . 1 1 4 4 ALA HB3 H 1 1.176 0.000 . . . . . A 431 ALA HB3 . 25681 1
19 . 1 1 5 5 VAL H H 1 8.039 0.000 . . . . . A 432 VAL H . 25681 1
20 . 1 1 5 5 VAL HA H 1 3.892 0.000 . . . . . A 432 VAL HA . 25681 1
21 . 1 1 5 5 VAL HB H 1 1.856 0.000 . . . . . A 432 VAL HB . 25681 1
22 . 1 1 5 5 VAL HG11 H 1 1.010 0.000 . . . . . A 432 VAL HG11 . 25681 1
23 . 1 1 5 5 VAL HG12 H 1 1.010 0.000 . . . . . A 432 VAL HG12 . 25681 1
24 . 1 1 5 5 VAL HG13 H 1 1.010 0.000 . . . . . A 432 VAL HG13 . 25681 1
25 . 1 1 5 5 VAL HG21 H 1 0.730 0.001 . . . . . A 432 VAL HG21 . 25681 1
26 . 1 1 5 5 VAL HG22 H 1 0.730 0.001 . . . . . A 432 VAL HG22 . 25681 1
27 . 1 1 5 5 VAL HG23 H 1 0.730 0.001 . . . . . A 432 VAL HG23 . 25681 1
28 . 1 1 6 6 SER H H 1 8.221 0.000 . . . . . A 433 SER H . 25681 1
29 . 1 1 6 6 SER HA H 1 4.294 0.000 . . . . . A 433 SER HA . 25681 1
30 . 1 1 6 6 SER HB2 H 1 3.802 0.000 . . . . . A 433 SER HB2 . 25681 1
31 . 1 1 6 6 SER HB3 H 1 3.688 0.000 . . . . . A 433 SER HB3 . 25681 1
32 . 1 1 7 7 GLU H H 1 8.644 0.000 . . . . . A 434 GLU H . 25681 1
33 . 1 1 7 7 GLU HA H 1 3.987 0.001 . . . . . A 434 GLU HA . 25681 1
34 . 1 1 7 7 GLU HB2 H 1 1.692 0.000 . . . . . A 434 GLU HB2 . 25681 1
35 . 1 1 7 7 GLU HB3 H 1 1.681 0.000 . . . . . A 434 GLU HB3 . 25681 1
36 . 1 1 7 7 GLU HG2 H 1 1.816 0.000 . . . . . A 434 GLU HG2 . 25681 1
37 . 1 1 7 7 GLU HG3 H 1 1.626 0.000 . . . . . A 434 GLU HG3 . 25681 1
38 . 1 1 8 8 TRP H H 1 8.059 0.000 . . . . . A 435 TRP H . 25681 1
39 . 1 1 8 8 TRP HA H 1 5.114 0.000 . . . . . A 435 TRP HA . 25681 1
40 . 1 1 8 8 TRP HB2 H 1 2.899 0.000 . . . . . A 435 TRP HB2 . 25681 1
41 . 1 1 8 8 TRP HB3 H 1 2.730 0.000 . . . . . A 435 TRP HB3 . 25681 1
42 . 1 1 8 8 TRP HD1 H 1 7.136 0.654 . . . . . A 435 TRP HD1 . 25681 1
43 . 1 1 8 8 TRP HE1 H 1 10.059 0.000 . . . . . A 435 TRP HE1 . 25681 1
44 . 1 1 8 8 TRP HE3 H 1 7.097 0.000 . . . . . A 435 TRP HE3 . 25681 1
45 . 1 1 8 8 TRP HZ2 H 1 7.296 0.000 . . . . . A 435 TRP HZ2 . 25681 1
46 . 1 1 8 8 TRP HZ3 H 1 6.748 0.000 . . . . . A 435 TRP HZ3 . 25681 1
47 . 1 1 8 8 TRP HH2 H 1 6.871 0.000 . . . . . A 435 TRP HH2 . 25681 1
48 . 1 1 9 9 THR H H 1 9.307 0.000 . . . . . A 436 THR H . 25681 1
49 . 1 1 9 9 THR HA H 1 4.327 0.000 . . . . . A 436 THR HA . 25681 1
50 . 1 1 9 9 THR HB H 1 3.704 0.000 . . . . . A 436 THR HB . 25681 1
51 . 1 1 9 9 THR HG21 H 1 0.683 0.000 . . . . . A 436 THR HG21 . 25681 1
52 . 1 1 9 9 THR HG22 H 1 0.683 0.000 . . . . . A 436 THR HG22 . 25681 1
53 . 1 1 9 9 THR HG23 H 1 0.683 0.000 . . . . . A 436 THR HG23 . 25681 1
54 . 1 1 10 10 GLU H H 1 8.375 0.000 . . . . . A 437 GLU H . 25681 1
55 . 1 1 10 10 GLU HA H 1 4.182 0.000 . . . . . A 437 GLU HA . 25681 1
56 . 1 1 10 10 GLU HB2 H 1 1.619 0.000 . . . . . A 437 GLU HB2 . 25681 1
57 . 1 1 10 10 GLU HG2 H 1 1.598 0.001 . . . . . A 437 GLU HG2 . 25681 1
58 . 1 1 11 11 TYR H H 1 8.435 0.000 . . . . . A 438 TYR H . 25681 1
59 . 1 1 11 11 TYR HA H 1 4.369 0.000 . . . . . A 438 TYR HA . 25681 1
60 . 1 1 11 11 TYR HB2 H 1 2.312 0.000 . . . . . A 438 TYR HB2 . 25681 1
61 . 1 1 11 11 TYR HB3 H 1 0.991 0.000 . . . . . A 438 TYR HB3 . 25681 1
62 . 1 1 11 11 TYR HD2 H 1 6.624 0.000 . . . . . A 438 TYR HD2 . 25681 1
63 . 1 1 11 11 TYR HE2 H 1 6.378 0.000 . . . . . A 438 TYR HE2 . 25681 1
64 . 1 1 12 12 LYS H H 1 8.007 0.000 . . . . . A 439 LYS H . 25681 1
65 . 1 1 12 12 LYS HA H 1 5.254 0.000 . . . . . A 439 LYS HA . 25681 1
66 . 1 1 12 12 LYS HB2 H 1 1.482 0.000 . . . . . A 439 LYS HB2 . 25681 1
67 . 1 1 12 12 LYS HB3 H 1 1.414 0.000 . . . . . A 439 LYS HB3 . 25681 1
68 . 1 1 12 12 LYS HG2 H 1 1.347 0.000 . . . . . A 439 LYS HG2 . 25681 1
69 . 1 1 12 12 LYS HG3 H 1 1.148 0.000 . . . . . A 439 LYS HG3 . 25681 1
70 . 1 1 12 12 LYS HD2 H 1 1.251 0.000 . . . . . A 439 LYS HD2 . 25681 1
71 . 1 1 12 12 LYS HE2 H 1 2.669 0.000 . . . . . A 439 LYS HE2 . 25681 1
72 . 1 1 13 13 THR H H 1 9.086 0.000 . . . . . A 440 THR H . 25681 1
73 . 1 1 13 13 THR HA H 1 4.594 0.046 . . . . . A 440 THR HA . 25681 1
74 . 1 1 13 13 THR HB H 1 4.460 0.000 . . . . . A 440 THR HB . 25681 1
75 . 1 1 13 13 THR HG21 H 1 1.320 0.000 . . . . . A 440 THR HG21 . 25681 1
76 . 1 1 13 13 THR HG22 H 1 1.320 0.000 . . . . . A 440 THR HG22 . 25681 1
77 . 1 1 13 13 THR HG23 H 1 1.320 0.000 . . . . . A 440 THR HG23 . 25681 1
78 . 1 1 14 14 ALA H H 1 9.053 0.000 . . . . . A 441 ALA H . 25681 1
79 . 1 1 14 14 ALA HA H 1 3.965 0.000 . . . . . A 441 ALA HA . 25681 1
80 . 1 1 14 14 ALA HB1 H 1 1.282 0.000 . . . . . A 441 ALA HB1 . 25681 1
81 . 1 1 14 14 ALA HB2 H 1 1.282 0.000 . . . . . A 441 ALA HB2 . 25681 1
82 . 1 1 14 14 ALA HB3 H 1 1.282 0.000 . . . . . A 441 ALA HB3 . 25681 1
83 . 1 1 15 15 ASP H H 1 7.879 0.000 . . . . . A 442 ASP H . 25681 1
84 . 1 1 15 15 ASP HA H 1 4.459 0.000 . . . . . A 442 ASP HA . 25681 1
85 . 1 1 15 15 ASP HB2 H 1 2.634 0.000 . . . . . A 442 ASP HB2 . 25681 1
86 . 1 1 15 15 ASP HB3 H 1 2.453 0.000 . . . . . A 442 ASP HB3 . 25681 1
87 . 1 1 16 16 GLY H H 1 7.816 0.000 . . . . . A 443 GLY H . 25681 1
88 . 1 1 16 16 GLY HA2 H 1 3.441 0.000 . . . . . A 443 GLY HA2 . 25681 1
89 . 1 1 16 16 GLY HA3 H 1 3.986 0.000 . . . . . A 443 GLY HA3 . 25681 1
90 . 1 1 17 17 LYS H H 1 7.732 0.000 . . . . . A 444 LYS H . 25681 1
91 . 1 1 17 17 LYS HA H 1 4.357 0.000 . . . . . A 444 LYS HA . 25681 1
92 . 1 1 17 17 LYS HB2 H 1 2.112 0.000 . . . . . A 444 LYS HB2 . 25681 1
93 . 1 1 17 17 LYS HB3 H 1 1.789 0.000 . . . . . A 444 LYS HB3 . 25681 1
94 . 1 1 17 17 LYS HG2 H 1 1.142 0.000 . . . . . A 444 LYS HG2 . 25681 1
95 . 1 1 17 17 LYS HG3 H 1 1.094 0.000 . . . . . A 444 LYS HG3 . 25681 1
96 . 1 1 17 17 LYS HD2 H 1 1.888 0.000 . . . . . A 444 LYS HD2 . 25681 1
97 . 1 1 17 17 LYS HE2 H 1 3.411 0.005 . . . . . A 444 LYS HE2 . 25681 1
98 . 1 1 18 18 THR H H 1 8.542 0.000 . . . . . A 445 THR H . 25681 1
99 . 1 1 18 18 THR HA H 1 4.780 0.003 . . . . . A 445 THR HA . 25681 1
100 . 1 1 18 18 THR HB H 1 3.715 0.000 . . . . . A 445 THR HB . 25681 1
101 . 1 1 18 18 THR HG21 H 1 0.674 0.000 . . . . . A 445 THR HG21 . 25681 1
102 . 1 1 18 18 THR HG22 H 1 0.674 0.000 . . . . . A 445 THR HG22 . 25681 1
103 . 1 1 18 18 THR HG23 H 1 0.674 0.000 . . . . . A 445 THR HG23 . 25681 1
104 . 1 1 19 19 TYR H H 1 8.546 0.000 . . . . . A 446 TYR H . 25681 1
105 . 1 1 19 19 TYR HA H 1 4.480 0.000 . . . . . A 446 TYR HA . 25681 1
106 . 1 1 19 19 TYR HB2 H 1 2.081 0.000 . . . . . A 446 TYR HB2 . 25681 1
107 . 1 1 19 19 TYR HB3 H 1 2.026 0.000 . . . . . A 446 TYR HB3 . 25681 1
108 . 1 1 19 19 TYR HD2 H 1 6.533 0.001 . . . . . A 446 TYR HD2 . 25681 1
109 . 1 1 19 19 TYR HE2 H 1 6.174 0.000 . . . . . A 446 TYR HE2 . 25681 1
110 . 1 1 20 20 TYR H H 1 8.684 0.000 . . . . . A 447 TYR H . 25681 1
111 . 1 1 20 20 TYR HA H 1 4.961 0.000 . . . . . A 447 TYR HA . 25681 1
112 . 1 1 20 20 TYR HB2 H 1 2.483 0.000 . . . . . A 447 TYR HB2 . 25681 1
113 . 1 1 20 20 TYR HB3 H 1 2.441 0.000 . . . . . A 447 TYR HB3 . 25681 1
114 . 1 1 20 20 TYR HD1 H 1 6.490 0.000 . . . . . A 447 TYR HD1 . 25681 1
115 . 1 1 20 20 TYR HD2 H 1 6.490 0.000 . . . . . A 447 TYR HD2 . 25681 1
116 . 1 1 20 20 TYR HE2 H 1 6.431 0.000 . . . . . A 447 TYR HE2 . 25681 1
117 . 1 1 21 21 TYR H H 1 9.194 0.000 . . . . . A 448 TYR H . 25681 1
118 . 1 1 21 21 TYR HA H 1 5.396 0.000 . . . . . A 448 TYR HA . 25681 1
119 . 1 1 21 21 TYR HB2 H 1 2.727 0.000 . . . . . A 448 TYR HB2 . 25681 1
120 . 1 1 21 21 TYR HB3 H 1 2.690 0.001 . . . . . A 448 TYR HB3 . 25681 1
121 . 1 1 21 21 TYR HD2 H 1 6.791 0.000 . . . . . A 448 TYR HD2 . 25681 1
122 . 1 1 21 21 TYR HE2 H 1 6.447 0.000 . . . . . A 448 TYR HE2 . 25681 1
123 . 1 1 22 22 ASN H H 1 8.054 0.000 . . . . . A 449 ASN H . 25681 1
124 . 1 1 22 22 ASN HA H 1 4.043 0.000 . . . . . A 449 ASN HA . 25681 1
125 . 1 1 22 22 ASN HB2 H 1 2.128 0.000 . . . . . A 449 ASN HB2 . 25681 1
126 . 1 1 22 22 ASN HB3 H 1 0.001 0.000 . . . . . A 449 ASN HB3 . 25681 1
127 . 1 1 22 22 ASN HD21 H 1 6.928 0.000 . . . . . A 449 ASN HD21 . 25681 1
128 . 1 1 22 22 ASN HD22 H 1 4.340 0.000 . . . . . A 449 ASN HD22 . 25681 1
129 . 1 1 23 23 ASN H H 1 8.328 0.000 . . . . . A 450 ASN H . 25681 1
130 . 1 1 23 23 ASN HA H 1 3.981 0.000 . . . . . A 450 ASN HA . 25681 1
131 . 1 1 23 23 ASN HB2 H 1 2.557 0.000 . . . . . A 450 ASN HB2 . 25681 1
132 . 1 1 23 23 ASN HB3 H 1 2.532 0.000 . . . . . A 450 ASN HB3 . 25681 1
133 . 1 1 23 23 ASN HD21 H 1 7.203 0.000 . . . . . A 450 ASN HD21 . 25681 1
134 . 1 1 23 23 ASN HD22 H 1 7.025 0.000 . . . . . A 450 ASN HD22 . 25681 1
135 . 1 1 24 24 ARG H H 1 8.219 0.001 . . . . . A 451 ARG H . 25681 1
136 . 1 1 24 24 ARG HA H 1 4.059 0.000 . . . . . A 451 ARG HA . 25681 1
137 . 1 1 24 24 ARG HB2 H 1 1.715 0.000 . . . . . A 451 ARG HB2 . 25681 1
138 . 1 1 24 24 ARG HB3 H 1 1.450 0.000 . . . . . A 451 ARG HB3 . 25681 1
139 . 1 1 24 24 ARG HG2 H 1 1.255 0.000 . . . . . A 451 ARG HG2 . 25681 1
140 . 1 1 24 24 ARG HG3 H 1 1.081 0.000 . . . . . A 451 ARG HG3 . 25681 1
141 . 1 1 24 24 ARG HD2 H 1 3.048 0.000 . . . . . A 451 ARG HD2 . 25681 1
142 . 1 1 24 24 ARG HD3 H 1 2.804 0.000 . . . . . A 451 ARG HD3 . 25681 1
143 . 1 1 24 24 ARG HE H 1 7.767 0.000 . . . . . A 451 ARG HE . 25681 1
144 . 1 1 25 25 THR H H 1 7.646 0.000 . . . . . A 452 THR H . 25681 1
145 . 1 1 25 25 THR HA H 1 3.851 0.000 . . . . . A 452 THR HA . 25681 1
146 . 1 1 25 25 THR HB H 1 3.988 0.000 . . . . . A 452 THR HB . 25681 1
147 . 1 1 25 25 THR HG21 H 1 0.712 0.000 . . . . . A 452 THR HG21 . 25681 1
148 . 1 1 25 25 THR HG22 H 1 0.712 0.000 . . . . . A 452 THR HG22 . 25681 1
149 . 1 1 25 25 THR HG23 H 1 0.712 0.000 . . . . . A 452 THR HG23 . 25681 1
150 . 1 1 26 26 LEU H H 1 7.729 0.000 . . . . . A 453 LEU H . 25681 1
151 . 1 1 26 26 LEU HA H 1 3.422 0.000 . . . . . A 453 LEU HA . 25681 1
152 . 1 1 26 26 LEU HB2 H 1 2.109 0.002 . . . . . A 453 LEU HB2 . 25681 1
153 . 1 1 26 26 LEU HB3 H 1 1.760 0.000 . . . . . A 453 LEU HB3 . 25681 1
154 . 1 1 26 26 LEU HD11 H 1 4.135 0.000 . . . . . A 453 LEU HD11 . 25681 1
155 . 1 1 26 26 LEU HD12 H 1 4.135 0.000 . . . . . A 453 LEU HD12 . 25681 1
156 . 1 1 26 26 LEU HD13 H 1 4.135 0.000 . . . . . A 453 LEU HD13 . 25681 1
157 . 1 1 26 26 LEU HD21 H 1 1.924 0.000 . . . . . A 453 LEU HD21 . 25681 1
158 . 1 1 26 26 LEU HD22 H 1 1.685 0.000 . . . . . A 453 LEU HD22 . 25681 1
159 . 1 1 26 26 LEU HD23 H 1 1.924 0.000 . . . . . A 453 LEU HD23 . 25681 1
160 . 1 1 26 26 LEU C C 13 1.549 0.000 . . . . . A 453 LEU C . 25681 1
161 . 1 1 26 26 LEU CD1 C 13 7.021 0.000 . . . . . A 453 LEU CD1 . 25681 1
162 . 1 1 26 26 LEU CD2 C 13 2.058 0.000 . . . . . A 453 LEU CD2 . 25681 1
163 . 1 1 27 27 TYR HB2 H 1 8.321 0.000 . . . . . A 454 TYR HB2 . 25681 1
164 . 1 1 27 27 TYR HB3 H 1 5.829 0.000 . . . . . A 454 TYR HB2 . 25681 1
165 . 1 1 27 27 TYR HD1 H 1 4.621 0.000 . . . . . A 454 TYR HD1 . 25681 1
166 . 1 1 27 27 TYR HE1 H 1 9.182 0.002 . . . . . A 454 TYR HE1 . 25681 1
167 . 1 1 27 27 TYR HH H 1 4.065 0.000 . . . . . A 454 TYR HH . 25681 1
168 . 1 1 27 27 TYR CD2 C 13 3.492 0.000 . . . . . A 454 TYR CD2 . 25681 1
169 . 1 1 28 28 SER HB2 H 1 8.289 0.000 . . . . . A 455 SER HB2 . 25681 1
170 . 1 1 28 28 SER HB3 H 1 4.780 0.000 . . . . . A 455 SER HB2 . 25681 1
171 . 1 1 28 28 SER C C 13 3.421 0.007 . . . . . A 455 SER C . 25681 1
172 . 1 1 29 29 THR HG21 H 1 7.849 0.000 . . . . . A 456 THR HG21 . 25681 1
173 . 1 1 29 29 THR HG22 H 1 7.849 0.000 . . . . . A 456 THR HG22 . 25681 1
174 . 1 1 29 29 THR HG23 H 1 7.849 0.000 . . . . . A 456 THR HG23 . 25681 1
175 . 1 1 29 29 THR C C 13 9.917 0.000 . . . . . A 456 THR C . 25681 1
176 . 1 1 29 29 THR CG2 C 13 7.177 0.001 . . . . . A 456 THR CG2 . 25681 1
177 . 1 1 29 29 THR N N 15 2.966 0.003 . . . . . A 456 THR N . 25681 1
178 . 1 1 30 30 TRP HA H 1 6.846 0.000 . . . . . A 457 TRP HA . 25681 1
179 . 1 1 30 30 TRP HB3 H 1 7.972 0.002 . . . . . A 457 TRP HB3 . 25681 1
180 . 1 1 30 30 TRP HD1 H 1 1.880 0.000 . . . . . A 457 TRP HD1 . 25681 1
181 . 1 1 30 30 TRP HZ2 H 1 8.209 0.000 . . . . . A 457 TRP HZ2 . 25681 1
182 . 1 1 30 30 TRP C C 13 2.500 0.000 . . . . . A 457 TRP C . 25681 1
183 . 1 1 30 30 TRP CA C 13 7.107 0.000 . . . . . A 457 TRP CA . 25681 1
184 . 1 1 30 30 TRP CG C 13 4.174 0.000 . . . . . A 457 TRP CG . 25681 1
185 . 1 1 30 30 TRP CD2 C 13 1.578 0.000 . . . . . A 457 TRP CD2 . 25681 1
186 . 1 1 30 30 TRP CE3 C 13 1.498 0.000 . . . . . A 457 TRP CE3 . 25681 1
187 . 1 1 30 30 TRP N N 15 6.712 0.000 . . . . . A 457 TRP N . 25681 1
188 . 1 1 31 31 GLU H H 1 1.242 0.000 . . . . . A 458 GLU H . 25681 1
189 . 1 1 31 31 GLU HB2 H 1 0.823 0.000 . . . . . A 458 GLU HB2 . 25681 1
190 . 1 1 31 31 GLU HB3 H 1 0.347 0.000 . . . . . A 458 GLU HB3 . 25681 1
191 . 1 1 31 31 GLU HG2 H 1 2.599 0.000 . . . . . A 458 GLU HG2 . 25681 1
192 . 1 1 31 31 GLU CA C 13 1.155 0.000 . . . . . A 458 GLU CA . 25681 1
193 . 1 1 32 32 LYS HG2 H 1 3.705 0.000 . . . . . A 459 LYS HG2 . 25681 1
194 . 1 1 32 32 LYS HG3 H 1 1.155 0.000 . . . . . A 459 LYS HG2 . 25681 1
195 . 1 1 32 32 LYS HD2 H 1 -0.061 0.000 . . . . . A 459 LYS HD2 . 25681 1
196 . 1 1 32 32 LYS HE2 H 1 1.894 0.000 . . . . . A 459 LYS HE2 . 25681 1
197 . 1 1 32 32 LYS HE3 H 1 2.436 0.000 . . . . . A 459 LYS HE3 . 25681 1
198 . 1 1 32 32 LYS HZ1 H 1 8.353 0.000 . . . . . A 459 LYS HZ1 . 25681 1
199 . 1 1 32 32 LYS HZ2 H 1 8.353 0.000 . . . . . A 459 LYS HZ2 . 25681 1
200 . 1 1 32 32 LYS HZ3 H 1 8.353 0.000 . . . . . A 459 LYS HZ3 . 25681 1
201 . 1 1 32 32 LYS CD C 13 0.834 0.000 . . . . . A 459 LYS CD . 25681 1
202 . 1 1 32 32 LYS CE C 13 -0.130 0.000 . . . . . A 459 LYS CE . 25681 1
203 . 1 1 33 33 PRO HA H 1 1.733 0.000 . . . . . A 460 PRO HA . 25681 1
204 . 1 1 33 33 PRO HB3 H 1 2.135 0.000 . . . . . A 460 PRO HB3 . 25681 1
205 . 1 1 33 33 PRO HG2 H 1 7.395 0.000 . . . . . A 460 PRO HG2 . 25681 1
206 . 1 1 33 33 PRO HD2 H 1 6.716 0.000 . . . . . A 460 PRO HD2 . 25681 1
207 . 1 1 33 33 PRO CA C 13 1.807 0.009 . . . . . A 460 PRO CA . 25681 1
208 . 1 1 33 33 PRO N N 15 3.566 0.000 . . . . . A 460 PRO N . 25681 1
209 . 1 1 34 34 GLN HB2 H 1 1.780 0.000 . . . . . A 461 GLN HB2 . 25681 1
210 . 1 1 34 34 GLN HE22 H 1 7.367 0.000 . . . . . A 461 GLN HE22 . 25681 1
211 . 1 1 34 34 GLN C C 13 4.192 0.000 . . . . . A 461 GLN C . 25681 1
212 . 1 1 34 34 GLN CA C 13 3.933 0.000 . . . . . A 461 GLN CA . 25681 1
213 . 1 1 34 34 GLN CB C 13 1.843 0.000 . . . . . A 461 GLN CB . 25681 1
214 . 1 1 34 34 GLN CG C 13 2.097 0.000 . . . . . A 461 GLN CG . 25681 1
215 . 1 1 34 34 GLN N N 15 8.876 0.001 . . . . . A 461 GLN N . 25681 1
216 . 1 1 35 35 GLU H H 1 1.135 0.000 . . . . . A 462 GLU H . 25681 1
217 . 1 1 35 35 GLU HB2 H 1 1.386 0.000 . . . . . A 462 GLU HB2 . 25681 1
218 . 1 1 35 35 GLU HB3 H 1 0.647 0.000 . . . . . A 462 GLU HB3 . 25681 1
219 . 1 1 35 35 GLU CA C 13 1.056 0.000 . . . . . A 462 GLU CA . 25681 1
220 . 1 1 36 36 LEU HB3 H 1 3.750 0.000 . . . . . A 463 LEU HB3 . 25681 1
221 . 1 1 36 36 LEU HG H 1 1.505 0.018 . . . . . A 463 LEU HG . 25681 1
222 . 1 1 36 36 LEU HD11 H 1 1.028 0.000 . . . . . A 463 LEU HD11 . 25681 1
223 . 1 1 36 36 LEU HD12 H 1 1.028 0.000 . . . . . A 463 LEU HD12 . 25681 1
224 . 1 1 36 36 LEU HD13 H 1 1.028 0.000 . . . . . A 463 LEU HD13 . 25681 1
225 . 1 1 36 36 LEU CB C 13 7.439 0.000 . . . . . A 463 LEU CB . 25681 1
226 . 1 1 36 36 LEU CG C 13 1.580 0.000 . . . . . A 463 LEU CG . 25681 1
227 . 1 1 36 36 LEU CD1 C 13 1.335 0.083 . . . . . A 463 LEU CD1 . 25681 1
228 . 1 1 36 36 LEU CD2 C 13 1.363 0.000 . . . . . A 463 LEU CD2 . 25681 1
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