Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
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 17529
_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' . . . 17529 1
2 '2D 1H-1H TOCSY' . . . 17529 1
5 '2D 1H-15N HSQC' . . . 17529 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 5 5 GLN H H 1 7.801 0.000 . 1 . . . . 476 GLN HN . 17529 1
2 . 1 1 5 5 GLN HA H 1 4.088 0.000 . 1 . . . . 476 GLN HA . 17529 1
3 . 1 1 5 5 GLN HB2 H 1 1.697 0.046 . 2 . . . . 476 GLN HB2 . 17529 1
4 . 1 1 5 5 GLN HB3 H 1 1.754 0.062 . 2 . . . . 476 GLN HB3 . 17529 1
5 . 1 1 5 5 GLN HG2 H 1 2.006 0.025 . 2 . . . . 476 GLN HG2 . 17529 1
6 . 1 1 5 5 GLN HG3 H 1 1.678 0.004 . 2 . . . . 476 GLN HG3 . 17529 1
7 . 1 1 5 5 GLN HE21 H 1 7.311 0.001 . 2 . . . . 476 GLN HE21 . 17529 1
8 . 1 1 5 5 GLN HE22 H 1 6.806 0.131 . 2 . . . . 476 GLN HE22 . 17529 1
9 . 1 1 6 6 SER H H 1 8.242 0.001 . 1 . . . . 477 SER HN . 17529 1
10 . 1 1 6 6 SER HA H 1 4.381 0.000 . 1 . . . . 477 SER HA . 17529 1
11 . 1 1 6 6 SER HB2 H 1 4.090 0.000 . 2 . . . . 477 SER HB2 . 17529 1
12 . 1 1 6 6 SER HB3 H 1 4.025 0.005 . 2 . . . . 477 SER HB3 . 17529 1
13 . 1 1 7 7 PHE H H 1 7.955 0.001 . 1 . . . . 478 PHE HN . 17529 1
14 . 1 1 7 7 PHE HA H 1 4.442 0.000 . 1 . . . . 478 PHE HA . 17529 1
15 . 1 1 7 7 PHE HB2 H 1 3.002 0.000 . 2 . . . . 478 PHE HB2 . 17529 1
16 . 1 1 7 7 PHE HB3 H 1 2.797 0.000 . 2 . . . . 478 PHE HB3 . 17529 1
17 . 1 1 7 7 PHE HD1 H 1 7.038 0.001 . 3 . . . . 478 PHE QD . 17529 1
18 . 1 1 7 7 PHE HD2 H 1 7.038 0.001 . 3 . . . . 478 PHE QD . 17529 1
19 . 1 1 7 7 PHE HE1 H 1 6.837 0.000 . 3 . . . . 478 PHE QE . 17529 1
20 . 1 1 7 7 PHE HE2 H 1 6.837 0.000 . 3 . . . . 478 PHE QE . 17529 1
21 . 1 1 7 7 PHE HZ H 1 7.085 0.000 . 1 . . . . 478 PHE HZ . 17529 1
22 . 1 1 8 8 LEU H H 1 8.329 0.000 . 1 . . . . 479 LEU HN . 17529 1
23 . 1 1 8 8 LEU HA H 1 4.099 0.000 . 1 . . . . 479 LEU HA . 17529 1
24 . 1 1 8 8 LEU HB2 H 1 1.606 0.000 . 2 . . . . 479 LEU HB2 . 17529 1
25 . 1 1 8 8 LEU HB3 H 1 1.483 0.001 . 2 . . . . 479 LEU HB3 . 17529 1
26 . 1 1 8 8 LEU HG H 1 1.227 0.000 . 1 . . . . 479 LEU HG . 17529 1
27 . 1 1 9 9 PRO HA H 1 4.461 0.001 . 1 . . . . 480 PRO HA . 17529 1
28 . 1 1 9 9 PRO HB2 H 1 2.210 0.003 . 2 . . . . 480 PRO HB2 . 17529 1
29 . 1 1 9 9 PRO HB3 H 1 1.688 0.014 . 2 . . . . 480 PRO HB3 . 17529 1
30 . 1 1 9 9 PRO HG2 H 1 1.503 0.003 . 2 . . . . 480 PRO HG2 . 17529 1
31 . 1 1 9 9 PRO HG3 H 1 1.234 0.003 . 2 . . . . 480 PRO HG3 . 17529 1
32 . 1 1 9 9 PRO HD2 H 1 3.174 0.000 . 2 . . . . 480 PRO HD2 . 17529 1
33 . 1 1 9 9 PRO HD3 H 1 2.656 0.006 . 2 . . . . 480 PRO HD3 . 17529 1
34 . 1 1 10 10 PRO HA H 1 4.194 0.000 . 1 . . . . 481 PRO HA . 17529 1
35 . 1 1 10 10 PRO HB2 H 1 2.139 0.000 . 2 . . . . 481 PRO HB2 . 17529 1
36 . 1 1 10 10 PRO HB3 H 1 1.920 0.000 . 2 . . . . 481 PRO HB3 . 17529 1
37 . 1 1 10 10 PRO HG2 H 1 1.756 0.000 . 2 . . . . 481 PRO HG2 . 17529 1
38 . 1 1 10 10 PRO HG3 H 1 1.711 0.000 . 2 . . . . 481 PRO HG3 . 17529 1
39 . 1 1 10 10 PRO HD2 H 1 3.644 0.000 . 2 . . . . 481 PRO HD2 . 17529 1
40 . 1 1 10 10 PRO HD3 H 1 3.369 0.000 . 2 . . . . 481 PRO HD3 . 17529 1
41 . 1 1 10 10 PRO CA C 13 58.734 0.000 . 1 . . . . 481 PRO CA . 17529 1
42 . 1 1 10 10 PRO CB C 13 25.920 0.000 . 1 . . . . 481 PRO CB . 17529 1
43 . 1 1 11 11 GLY H H 1 8.635 0.000 . 1 . . . . 482 GLY HN . 17529 1
44 . 1 1 11 11 GLY HA2 H 1 4.053 0.000 . 2 . . . . 482 GLY HA2 . 17529 1
45 . 1 1 11 11 GLY HA3 H 1 4.179 0.000 . 2 . . . . 482 GLY HA3 . 17529 1
46 . 1 1 11 11 GLY CA C 13 40.090 0.113 . 1 . . . . 482 GLY CA . 17529 1
47 . 1 1 11 11 GLY N N 15 112.436 0.000 . 1 . . . . 482 GLY N . 17529 1
48 . 1 1 12 12 TRP H H 1 7.604 0.001 . 1 . . . . 483 TRP HN . 17529 1
49 . 1 1 12 12 TRP HA H 1 5.416 0.003 . 1 . . . . 483 TRP HA . 17529 1
50 . 1 1 12 12 TRP HB2 H 1 3.132 0.000 . 2 . . . . 483 TRP HB2 . 17529 1
51 . 1 1 12 12 TRP HB3 H 1 2.805 0.000 . 2 . . . . 483 TRP HB3 . 17529 1
52 . 1 1 12 12 TRP HD1 H 1 6.803 0.000 . 1 . . . . 483 TRP HD1 . 17529 1
53 . 1 1 12 12 TRP HE1 H 1 10.020 0.000 . 1 . . . . 483 TRP HE1 . 17529 1
54 . 1 1 12 12 TRP HE3 H 1 6.620 0.002 . 1 . . . . 483 TRP HE3 . 17529 1
55 . 1 1 12 12 TRP HZ2 H 1 7.160 0.000 . 1 . . . . 483 TRP HZ2 . 17529 1
56 . 1 1 12 12 TRP HZ3 H 1 7.136 0.001 . 1 . . . . 483 TRP HZ3 . 17529 1
57 . 1 1 12 12 TRP HH2 H 1 6.870 0.000 . 1 . . . . 483 TRP HH2 . 17529 1
58 . 1 1 12 12 TRP CA C 13 52.050 0.000 . 1 . . . . 483 TRP CA . 17529 1
59 . 1 1 12 12 TRP CB C 13 26.254 0.052 . 1 . . . . 483 TRP CB . 17529 1
60 . 1 1 12 12 TRP N N 15 118.901 0.000 . 1 . . . . 483 TRP N . 17529 1
61 . 1 1 13 13 GLU H H 1 9.355 0.001 . 1 . . . . 484 GLU HN . 17529 1
62 . 1 1 13 13 GLU HA H 1 4.625 0.000 . 1 . . . . 484 GLU HA . 17529 1
63 . 1 1 13 13 GLU HB2 H 1 2.014 0.007 . 2 . . . . 484 GLU HB2 . 17529 1
64 . 1 1 13 13 GLU HB3 H 1 1.921 0.001 . 2 . . . . 484 GLU HB3 . 17529 1
65 . 1 1 13 13 GLU HG2 H 1 2.155 0.003 . 2 . . . . 484 GLU HG2 . 17529 1
66 . 1 1 13 13 GLU HG3 H 1 2.142 0.009 . 2 . . . . 484 GLU HG3 . 17529 1
67 . 1 1 13 13 GLU CA C 13 49.419 0.000 . 1 . . . . 484 GLU CA . 17529 1
68 . 1 1 13 13 GLU CB C 13 28.910 0.000 . 1 . . . . 484 GLU CB . 17529 1
69 . 1 1 13 13 GLU N N 15 120.715 0.000 . 1 . . . . 484 GLU N . 17529 1
70 . 1 1 14 14 MET H H 1 8.918 0.001 . 1 . . . . 485 MET HN . 17529 1
71 . 1 1 14 14 MET HA H 1 4.548 0.000 . 1 . . . . 485 MET HA . 17529 1
72 . 1 1 14 14 MET HB2 H 1 1.743 0.003 . 2 . . . . 485 MET HB2 . 17529 1
73 . 1 1 14 14 MET HB3 H 1 1.607 0.004 . 2 . . . . 485 MET HB3 . 17529 1
74 . 1 1 14 14 MET HG2 H 1 1.893 0.010 . 2 . . . . 485 MET HG2 . 17529 1
75 . 1 1 14 14 MET HG3 H 1 1.822 0.004 . 2 . . . . 485 MET HG3 . 17529 1
76 . 1 1 14 14 MET CA C 13 49.484 0.000 . 1 . . . . 485 MET CA . 17529 1
77 . 1 1 14 14 MET CB C 13 29.231 0.000 . 1 . . . . 485 MET CB . 17529 1
78 . 1 1 15 15 ARG H H 1 8.280 0.000 . 1 . . . . 486 ARG HN . 17529 1
79 . 1 1 15 15 ARG HA H 1 4.074 0.000 . 1 . . . . 486 ARG HA . 17529 1
80 . 1 1 15 15 ARG HB2 H 1 2.371 0.000 . 2 . . . . 486 ARG HB2 . 17529 1
81 . 1 1 15 15 ARG HB3 H 1 -0.510 0.000 . 2 . . . . 486 ARG HB3 . 17529 1
82 . 1 1 15 15 ARG HG2 H 1 1.238 0.001 . 2 . . . . 486 ARG HG2 . 17529 1
83 . 1 1 15 15 ARG HG3 H 1 0.847 0.000 . 2 . . . . 486 ARG HG3 . 17529 1
84 . 1 1 15 15 ARG HD2 H 1 1.105 0.000 . 2 . . . . 486 ARG HD2 . 17529 1
85 . 1 1 15 15 ARG HD3 H 1 0.998 0.000 . 2 . . . . 486 ARG HD3 . 17529 1
86 . 1 1 15 15 ARG HE H 1 7.958 0.000 . 1 . . . . 486 ARG HE . 17529 1
87 . 1 1 15 15 ARG CA C 13 48.315 0.097 . 1 . . . . 486 ARG CA . 17529 1
88 . 1 1 15 15 ARG CB C 13 27.892 0.011 . 1 . . . . 486 ARG CB . 17529 1
89 . 1 1 15 15 ARG N N 15 127.065 0.000 . 1 . . . . 486 ARG N . 17529 1
90 . 1 1 16 16 ILE H H 1 7.868 0.000 . 1 . . . . 487 ILE HN . 17529 1
91 . 1 1 16 16 ILE HA H 1 5.007 0.002 . 1 . . . . 487 ILE HA . 17529 1
92 . 1 1 16 16 ILE HB H 1 1.495 0.000 . 1 . . . . 487 ILE HB . 17529 1
93 . 1 1 16 16 ILE HG12 H 1 0.667 0.000 . 2 . . . . 487 ILE HG12 . 17529 1
94 . 1 1 16 16 ILE HG13 H 1 1.098 0.000 . 2 . . . . 487 ILE HG13 . 17529 1
95 . 1 1 16 16 ILE CA C 13 54.236 0.057 . 1 . . . . 487 ILE CA . 17529 1
96 . 1 1 16 16 ILE CB C 13 31.975 0.045 . 1 . . . . 487 ILE CB . 17529 1
97 . 1 1 16 16 ILE N N 15 118.424 0.000 . 1 . . . . 487 ILE N . 17529 1
98 . 1 1 17 17 ALA H H 1 8.647 0.000 . 1 . . . . 488 ALA HN . 17529 1
99 . 1 1 17 17 ALA HA H 1 4.094 0.004 . 1 . . . . 488 ALA HA . 17529 1
100 . 1 1 17 17 ALA CA C 13 46.304 0.000 . 1 . . . . 488 ALA CA . 17529 1
101 . 1 1 17 17 ALA CB C 13 12.023 0.000 . 1 . . . . 488 ALA CB . 17529 1
102 . 1 1 17 17 ALA N N 15 130.688 0.000 . 1 . . . . 488 ALA N . 17529 1
103 . 1 1 18 18 PRO HA H 1 4.248 0.000 . 1 . . . . 489 PRO HA . 17529 1
104 . 1 1 18 18 PRO HB2 H 1 2.038 0.000 . 2 . . . . 489 PRO HB2 . 17529 1
105 . 1 1 18 18 PRO HB3 H 1 1.686 0.223 . 2 . . . . 489 PRO HB3 . 17529 1
106 . 1 1 18 18 PRO HG2 H 1 1.699 0.000 . 2 . . . . 489 PRO HG2 . 17529 1
107 . 1 1 18 18 PRO HG3 H 1 1.639 0.000 . 2 . . . . 489 PRO HG3 . 17529 1
108 . 1 1 18 18 PRO HD2 H 1 3.587 0.003 . 2 . . . . 489 PRO HD2 . 17529 1
109 . 1 1 18 18 PRO HD3 H 1 3.354 0.000 . 2 . . . . 489 PRO HD3 . 17529 1
110 . 1 1 18 18 PRO CA C 13 60.176 0.000 . 1 . . . . 489 PRO CA . 17529 1
111 . 1 1 18 18 PRO CB C 13 25.737 0.000 . 1 . . . . 489 PRO CB . 17529 1
112 . 1 1 19 19 ASN H H 1 7.295 0.000 . 1 . . . . 490 ASN HN . 17529 1
113 . 1 1 19 19 ASN HA H 1 4.409 0.000 . 1 . . . . 490 ASN HA . 17529 1
114 . 1 1 19 19 ASN HB2 H 1 3.035 0.000 . 2 . . . . 490 ASN HB2 . 17529 1
115 . 1 1 19 19 ASN HB3 H 1 2.638 0.000 . 2 . . . . 490 ASN HB3 . 17529 1
116 . 1 1 19 19 ASN HD21 H 1 7.335 0.000 . 2 . . . . 490 ASN HD21 . 17529 1
117 . 1 1 19 19 ASN HD22 H 1 5.906 0.003 . 2 . . . . 490 ASN HD22 . 17529 1
118 . 1 1 19 19 ASN CA C 13 47.241 0.011 . 1 . . . . 490 ASN CA . 17529 1
119 . 1 1 19 19 ASN CB C 13 31.665 0.046 . 1 . . . . 490 ASN CB . 17529 1
120 . 1 1 19 19 ASN N N 15 111.491 0.000 . 1 . . . . 490 ASN N . 17529 1
121 . 1 1 20 20 GLY H H 1 8.371 0.000 . 1 . . . . 491 GLY HN . 17529 1
122 . 1 1 20 20 GLY HA2 H 1 3.302 0.000 . 2 . . . . 491 GLY HA2 . 17529 1
123 . 1 1 20 20 GLY HA3 H 1 4.063 0.000 . 2 . . . . 491 GLY HA3 . 17529 1
124 . 1 1 20 20 GLY CA C 13 39.511 0.002 . 1 . . . . 491 GLY CA . 17529 1
125 . 1 1 20 20 GLY N N 15 108.623 0.000 . 1 . . . . 491 GLY N . 17529 1
126 . 1 1 21 21 ARG H H 1 7.477 0.000 . 1 . . . . 492 ARG HN . 17529 1
127 . 1 1 21 21 ARG HA H 1 4.518 0.000 . 1 . . . . 492 ARG HA . 17529 1
128 . 1 1 21 21 ARG HB2 H 1 1.831 0.006 . 2 . . . . 492 ARG HB2 . 17529 1
129 . 1 1 21 21 ARG HB3 H 1 1.633 0.000 . 2 . . . . 492 ARG HB3 . 17529 1
130 . 1 1 21 21 ARG HG2 H 1 1.541 0.004 . 2 . . . . 492 ARG HG2 . 17529 1
131 . 1 1 21 21 ARG HG3 H 1 1.375 0.000 . 2 . . . . 492 ARG HG3 . 17529 1
132 . 1 1 21 21 ARG HD2 H 1 2.554 0.004 . 2 . . . . 492 ARG HD2 . 17529 1
133 . 1 1 21 21 ARG HD3 H 1 2.060 0.000 . 2 . . . . 492 ARG HD3 . 17529 1
134 . 1 1 21 21 ARG HE H 1 6.753 0.001 . 1 . . . . 492 ARG HE . 17529 1
135 . 1 1 21 21 ARG CA C 13 48.722 0.000 . 1 . . . . 492 ARG CA . 17529 1
136 . 1 1 21 21 ARG CB C 13 25.583 0.000 . 1 . . . . 492 ARG CB . 17529 1
137 . 1 1 21 21 ARG N N 15 122.915 0.000 . 1 . . . . 492 ARG N . 17529 1
138 . 1 1 22 22 PRO HA H 1 4.182 0.003 . 1 . . . . 493 PRO HA . 17529 1
139 . 1 1 22 22 PRO HB2 H 1 1.553 0.000 . 2 . . . . 493 PRO HB2 . 17529 1
140 . 1 1 22 22 PRO HB3 H 1 1.497 0.000 . 2 . . . . 493 PRO HB3 . 17529 1
141 . 1 1 22 22 PRO HG2 H 1 1.252 0.017 . 2 . . . . 493 PRO HG2 . 17529 1
142 . 1 1 22 22 PRO HG3 H 1 1.829 0.000 . 2 . . . . 493 PRO HG3 . 17529 1
143 . 1 1 22 22 PRO HD2 H 1 3.919 0.004 . 2 . . . . 493 PRO HD2 . 17529 1
144 . 1 1 22 22 PRO HD3 H 1 3.630 0.043 . 2 . . . . 493 PRO HD3 . 17529 1
145 . 1 1 22 22 PRO CA C 13 56.959 0.000 . 1 . . . . 493 PRO CA . 17529 1
146 . 1 1 22 22 PRO CB C 13 26.847 0.000 . 1 . . . . 493 PRO CB . 17529 1
147 . 1 1 23 23 PHE H H 1 8.636 0.003 . 1 . . . . 494 PHE HN . 17529 1
148 . 1 1 23 23 PHE HA H 1 4.581 0.005 . 1 . . . . 494 PHE HA . 17529 1
149 . 1 1 23 23 PHE HB2 H 1 2.624 0.002 . 2 . . . . 494 PHE HB2 . 17529 1
150 . 1 1 23 23 PHE HB3 H 1 2.273 0.007 . 2 . . . . 494 PHE HB3 . 17529 1
151 . 1 1 23 23 PHE HD1 H 1 6.680 0.000 . 3 . . . . 494 PHE QD . 17529 1
152 . 1 1 23 23 PHE HD2 H 1 6.680 0.000 . 3 . . . . 494 PHE QD . 17529 1
153 . 1 1 23 23 PHE HE1 H 1 6.872 0.001 . 3 . . . . 494 PHE QE . 17529 1
154 . 1 1 23 23 PHE HE2 H 1 6.872 0.001 . 3 . . . . 494 PHE QE . 17529 1
155 . 1 1 23 23 PHE HZ H 1 7.056 0.000 . 1 . . . . 494 PHE HZ . 17529 1
156 . 1 1 23 23 PHE CA C 13 50.319 0.000 . 1 . . . . 494 PHE CA . 17529 1
157 . 1 1 23 23 PHE CB C 13 34.413 0.078 . 1 . . . . 494 PHE CB . 17529 1
158 . 1 1 23 23 PHE N N 15 117.409 0.000 . 1 . . . . 494 PHE N . 17529 1
159 . 1 1 24 24 PHE H H 1 8.794 0.000 . 1 . . . . 495 PHE HN . 17529 1
160 . 1 1 24 24 PHE HA H 1 5.167 0.002 . 1 . . . . 495 PHE HA . 17529 1
161 . 1 1 24 24 PHE HB2 H 1 3.014 0.031 . 2 . . . . 495 PHE HB2 . 17529 1
162 . 1 1 24 24 PHE HB3 H 1 2.927 0.003 . 2 . . . . 495 PHE HB3 . 17529 1
163 . 1 1 24 24 PHE HD1 H 1 6.840 0.002 . 3 . . . . 495 PHE QD . 17529 1
164 . 1 1 24 24 PHE HD2 H 1 6.840 0.002 . 3 . . . . 495 PHE QD . 17529 1
165 . 1 1 24 24 PHE HE1 H 1 6.564 0.000 . 3 . . . . 495 PHE QE . 17529 1
166 . 1 1 24 24 PHE HE2 H 1 6.564 0.000 . 3 . . . . 495 PHE QE . 17529 1
167 . 1 1 24 24 PHE HZ H 1 6.795 0.008 . 1 . . . . 495 PHE HZ . 17529 1
168 . 1 1 24 24 PHE CA C 13 51.973 0.000 . 1 . . . . 495 PHE CA . 17529 1
169 . 1 1 24 24 PHE CB C 13 36.728 0.079 . 1 . . . . 495 PHE CB . 17529 1
170 . 1 1 24 24 PHE N N 15 117.038 0.000 . 1 . . . . 495 PHE N . 17529 1
171 . 1 1 25 25 TYR H H 1 9.086 0.000 . 1 . . . . 496 TYR HN . 17529 1
172 . 1 1 25 25 TYR HA H 1 4.971 0.000 . 1 . . . . 496 TYR HA . 17529 1
173 . 1 1 25 25 TYR HB2 H 1 2.279 0.000 . 2 . . . . 496 TYR HB2 . 17529 1
174 . 1 1 25 25 TYR HB3 H 1 2.261 0.000 . 2 . . . . 496 TYR HB3 . 17529 1
175 . 1 1 25 25 TYR HD1 H 1 6.213 0.000 . 3 . . . . 496 TYR QD . 17529 1
176 . 1 1 25 25 TYR HD2 H 1 6.213 0.000 . 3 . . . . 496 TYR QD . 17529 1
177 . 1 1 25 25 TYR HE1 H 1 5.846 0.003 . 3 . . . . 496 TYR QE . 17529 1
178 . 1 1 25 25 TYR HE2 H 1 5.846 0.003 . 3 . . . . 496 TYR QE . 17529 1
179 . 1 1 25 25 TYR CA C 13 50.967 0.000 . 1 . . . . 496 TYR CA . 17529 1
180 . 1 1 25 25 TYR CB C 13 36.033 0.075 . 1 . . . . 496 TYR CB . 17529 1
181 . 1 1 25 25 TYR N N 15 123.399 0.000 . 1 . . . . 496 TYR N . 17529 1
182 . 1 1 26 26 ASP H H 1 7.535 0.000 . 1 . . . . 497 ASP HN . 17529 1
183 . 1 1 26 26 ASP HA H 1 3.527 0.000 . 1 . . . . 497 ASP HA . 17529 1
184 . 1 1 26 26 ASP HB2 H 1 1.422 0.000 . 2 . . . . 497 ASP HB2 . 17529 1
185 . 1 1 26 26 ASP HB3 H 1 -0.362 0.000 . 2 . . . . 497 ASP HB3 . 17529 1
186 . 1 1 26 26 ASP CA C 13 45.627 0.000 . 1 . . . . 497 ASP CA . 17529 1
187 . 1 1 26 26 ASP CB C 13 38.146 5.345 . 1 . . . . 497 ASP CB . 17529 1
188 . 1 1 26 26 ASP N N 15 125.640 0.000 . 1 . . . . 497 ASP N . 17529 1
189 . 1 1 27 27 HIS H H 1 8.678 0.000 . 1 . . . . 498 HIS HN . 17529 1
190 . 1 1 27 27 HIS HA H 1 3.603 0.000 . 1 . . . . 498 HIS HA . 17529 1
191 . 1 1 27 27 HIS HB2 H 1 2.998 0.000 . 2 . . . . 498 HIS HB2 . 17529 1
192 . 1 1 27 27 HIS HB3 H 1 2.815 0.000 . 2 . . . . 498 HIS HB3 . 17529 1
193 . 1 1 27 27 HIS HD2 H 1 6.208 0.000 . 1 . . . . 498 HIS HD2 . 17529 1
194 . 1 1 27 27 HIS HE1 H 1 6.910 0.000 . 1 . . . . 498 HIS HE1 . 17529 1
195 . 1 1 27 27 HIS CA C 13 53.714 0.116 . 1 . . . . 498 HIS CA . 17529 1
196 . 1 1 27 27 HIS CB C 13 24.925 0.116 . 1 . . . . 498 HIS CB . 17529 1
197 . 1 1 27 27 HIS N N 15 123.495 0.000 . 1 . . . . 498 HIS N . 17529 1
198 . 1 1 28 28 ASN H H 1 7.914 0.000 . 1 . . . . 499 ASN HN . 17529 1
199 . 1 1 28 28 ASN HA H 1 4.205 0.003 . 1 . . . . 499 ASN HA . 17529 1
200 . 1 1 28 28 ASN HB2 H 1 2.883 0.006 . 2 . . . . 499 ASN HB2 . 17529 1
201 . 1 1 28 28 ASN HB3 H 1 2.491 0.005 . 2 . . . . 499 ASN HB3 . 17529 1
202 . 1 1 28 28 ASN HD21 H 1 7.869 0.009 . 2 . . . . 499 ASN HD21 . 17529 1
203 . 1 1 28 28 ASN HD22 H 1 6.881 0.096 . 2 . . . . 499 ASN HD22 . 17529 1
204 . 1 1 28 28 ASN CA C 13 50.851 0.038 . 1 . . . . 499 ASN CA . 17529 1
205 . 1 1 28 28 ASN CB C 13 32.974 0.038 . 1 . . . . 499 ASN CB . 17529 1
206 . 1 1 28 28 ASN N N 15 115.210 0.000 . 1 . . . . 499 ASN N . 17529 1
207 . 1 1 29 29 THR H H 1 6.324 0.000 . 1 . . . . 500 THR HN . 17529 1
208 . 1 1 29 29 THR HA H 1 4.025 0.000 . 1 . . . . 500 THR HA . 17529 1
209 . 1 1 29 29 THR CA C 13 55.842 0.000 . 1 . . . . 500 THR CA . 17529 1
210 . 1 1 29 29 THR CB C 13 65.438 0.000 . 1 . . . . 500 THR CB . 17529 1
211 . 1 1 29 29 THR N N 15 104.680 0.000 . 1 . . . . 500 THR N . 17529 1
212 . 1 1 30 30 LYS H H 1 7.801 0.001 . 1 . . . . 501 LYS HN . 17529 1
213 . 1 1 30 30 LYS HA H 1 3.343 0.000 . 1 . . . . 501 LYS HA . 17529 1
214 . 1 1 30 30 LYS HB2 H 1 1.931 0.000 . 2 . . . . 501 LYS HB2 . 17529 1
215 . 1 1 30 30 LYS HB3 H 1 1.673 0.000 . 2 . . . . 501 LYS HB3 . 17529 1
216 . 1 1 30 30 LYS HG2 H 1 1.393 0.000 . 2 . . . . 501 LYS HG2 . 17529 1
217 . 1 1 30 30 LYS HG3 H 1 1.066 0.000 . 2 . . . . 501 LYS HG3 . 17529 1
218 . 1 1 30 30 LYS HD2 H 1 1.008 0.003 . 2 . . . . 501 LYS HD2 . 17529 1
219 . 1 1 30 30 LYS HE2 H 1 2.758 0.000 . 2 . . . . 501 LYS HE2 . 17529 1
220 . 1 1 31 31 THR H H 1 6.610 0.006 . 1 . . . . 502 THR HN . 17529 1
221 . 1 1 31 31 THR HA H 1 4.253 0.000 . 1 . . . . 502 THR HA . 17529 1
222 . 1 1 31 31 THR HB H 1 3.639 0.000 . 1 . . . . 502 THR HB . 17529 1
223 . 1 1 32 32 THR H H 1 8.117 0.000 . 1 . . . . 503 THR HN . 17529 1
224 . 1 1 32 32 THR HA H 1 5.218 0.001 . 1 . . . . 503 THR HA . 17529 1
225 . 1 1 32 32 THR HB H 1 3.688 0.000 . 1 . . . . 503 THR HB . 17529 1
226 . 1 1 32 32 THR CA C 13 54.913 0.000 . 1 . . . . 503 THR CA . 17529 1
227 . 1 1 32 32 THR CB C 13 65.516 0.000 . 1 . . . . 503 THR CB . 17529 1
228 . 1 1 33 33 THR H H 1 9.048 0.000 . 1 . . . . 504 THR HN . 17529 1
229 . 1 1 33 33 THR HA H 1 4.640 0.000 . 1 . . . . 504 THR HA . 17529 1
230 . 1 1 33 33 THR HB H 1 4.152 0.000 . 1 . . . . 504 THR HB . 17529 1
231 . 1 1 33 33 THR CA C 13 57.545 0.001 . 1 . . . . 504 THR CA . 17529 1
232 . 1 1 33 33 THR CB C 13 64.200 0.000 . 1 . . . . 504 THR CB . 17529 1
233 . 1 1 34 34 TRP H H 1 8.651 0.000 . 1 . . . . 505 TRP HN . 17529 1
234 . 1 1 34 34 TRP HA H 1 4.905 0.001 . 1 . . . . 505 TRP HA . 17529 1
235 . 1 1 34 34 TRP HB2 H 1 3.499 0.000 . 2 . . . . 505 TRP HB2 . 17529 1
236 . 1 1 34 34 TRP HB3 H 1 2.972 0.000 . 2 . . . . 505 TRP HB3 . 17529 1
237 . 1 1 34 34 TRP HD1 H 1 7.161 0.000 . 1 . . . . 505 TRP HD1 . 17529 1
238 . 1 1 34 34 TRP HE1 H 1 9.911 0.000 . 1 . . . . 505 TRP HE1 . 17529 1
239 . 1 1 34 34 TRP HE3 H 1 8.007 0.000 . 1 . . . . 505 TRP HE3 . 17529 1
240 . 1 1 34 34 TRP HZ2 H 1 7.067 0.000 . 1 . . . . 505 TRP HZ2 . 17529 1
241 . 1 1 34 34 TRP HZ3 H 1 6.795 0.000 . 1 . . . . 505 TRP HZ3 . 17529 1
242 . 1 1 34 34 TRP HH2 H 1 6.744 0.000 . 1 . . . . 505 TRP HH2 . 17529 1
243 . 1 1 34 34 TRP CA C 13 53.003 0.130 . 1 . . . . 505 TRP CA . 17529 1
244 . 1 1 34 34 TRP CB C 13 25.082 0.000 . 1 . . . . 505 TRP CB . 17529 1
245 . 1 1 35 35 GLU H H 1 8.419 0.000 . 1 . . . . 506 GLU HN . 17529 1
246 . 1 1 35 35 GLU HA H 1 4.063 0.000 . 1 . . . . 506 GLU HA . 17529 1
247 . 1 1 35 35 GLU HB2 H 1 1.905 0.000 . 2 . . . . 506 GLU HB2 . 17529 1
248 . 1 1 35 35 GLU HB3 H 1 1.669 0.000 . 2 . . . . 506 GLU HB3 . 17529 1
249 . 1 1 35 35 GLU HG2 H 1 2.019 0.000 . 2 . . . . 506 GLU HG2 . 17529 1
250 . 1 1 35 35 GLU HG3 H 1 2.212 0.000 . 2 . . . . 506 GLU HG3 . 17529 1
251 . 1 1 35 35 GLU CA C 13 50.654 0.039 . 1 . . . . 506 GLU CA . 17529 1
252 . 1 1 35 35 GLU CB C 13 24.264 0.038 . 1 . . . . 506 GLU CB . 17529 1
253 . 1 1 35 35 GLU N N 15 120.967 0.000 . 1 . . . . 506 GLU N . 17529 1
254 . 1 1 36 36 ASP H H 1 7.941 0.000 . 1 . . . . 507 ASP HN . 17529 1
255 . 1 1 36 36 ASP HA H 1 2.171 0.116 . 1 . . . . 507 ASP HA . 17529 1
256 . 1 1 36 36 ASP HB2 H 1 2.408 0.000 . 2 . . . . 507 ASP HB2 . 17529 1
257 . 1 1 36 36 ASP HB3 H 1 2.338 0.000 . 2 . . . . 507 ASP HB3 . 17529 1
258 . 1 1 36 36 ASP CA C 13 45.399 0.000 . 1 . . . . 507 ASP CA . 17529 1
259 . 1 1 36 36 ASP CB C 13 35.902 0.000 . 1 . . . . 507 ASP CB . 17529 1
260 . 1 1 36 36 ASP N N 15 125.451 0.000 . 1 . . . . 507 ASP N . 17529 1
261 . 1 1 37 37 PRO HA H 1 3.683 0.000 . 1 . . . . 508 PRO HA . 17529 1
262 . 1 1 37 37 PRO HB2 H 1 0.421 0.005 . 2 . . . . 508 PRO HB2 . 17529 1
263 . 1 1 37 37 PRO HB3 H 1 0.482 0.019 . 2 . . . . 508 PRO HB3 . 17529 1
264 . 1 1 37 37 PRO HG2 H 1 0.601 0.000 . 2 . . . . 508 PRO HG2 . 17529 1
265 . 1 1 37 37 PRO HG3 H 1 0.174 0.004 . 2 . . . . 508 PRO HG3 . 17529 1
266 . 1 1 37 37 PRO HD2 H 1 2.611 0.000 . 2 . . . . 508 PRO HD2 . 17529 1
267 . 1 1 37 37 PRO HD3 H 1 2.408 0.039 . 2 . . . . 508 PRO HD3 . 17529 1
268 . 1 1 37 37 PRO CA C 13 58.010 0.000 . 1 . . . . 508 PRO CA . 17529 1
269 . 1 1 37 37 PRO CB C 13 24.381 0.000 . 1 . . . . 508 PRO CB . 17529 1
270 . 1 1 38 38 ARG H H 1 7.061 0.000 . 1 . . . . 509 ARG HN . 17529 1
271 . 1 1 38 38 ARG HA H 1 3.898 0.000 . 1 . . . . 509 ARG HA . 17529 1
272 . 1 1 38 38 ARG HB2 H 1 1.361 0.044 . 2 . . . . 509 ARG HB2 . 17529 1
273 . 1 1 38 38 ARG HB3 H 1 1.211 0.002 . 2 . . . . 509 ARG HB3 . 17529 1
274 . 1 1 38 38 ARG HG2 H 1 0.687 0.006 . 2 . . . . 509 ARG HG2 . 17529 1
275 . 1 1 38 38 ARG HG3 H 1 0.535 0.005 . 2 . . . . 509 ARG HG3 . 17529 1
276 . 1 1 38 38 ARG HD2 H 1 2.387 0.001 . 2 . . . . 509 ARG HD2 . 17529 1
277 . 1 1 38 38 ARG HD3 H 1 2.099 0.002 . 2 . . . . 509 ARG HD3 . 17529 1
278 . 1 1 38 38 ARG HE H 1 8.071 0.000 . 1 . . . . 509 ARG HE . 17529 1
279 . 1 1 38 38 ARG CA C 13 52.327 0.077 . 1 . . . . 509 ARG CA . 17529 1
280 . 1 1 38 38 ARG CB C 13 23.564 0.039 . 1 . . . . 509 ARG CB . 17529 1
281 . 1 1 39 39 LEU H H 1 7.029 0.000 . 1 . . . . 510 LEU HN . 17529 1
282 . 1 1 39 39 LEU HA H 1 3.522 0.001 . 1 . . . . 510 LEU HA . 17529 1
283 . 1 1 39 39 LEU HB2 H 1 1.199 0.000 . 2 . . . . 510 LEU HB2 . 17529 1
284 . 1 1 39 39 LEU HG H 1 1.024 0.000 . 1 . . . . 510 LEU HG . 17529 1
285 . 1 1 39 39 LEU CA C 13 49.759 0.000 . 1 . . . . 510 LEU CA . 17529 1
286 . 1 1 39 39 LEU CB C 13 35.357 0.000 . 1 . . . . 510 LEU CB . 17529 1
287 . 1 1 39 39 LEU N N 15 117.237 0.000 . 1 . . . . 510 LEU N . 17529 1
288 . 1 1 40 40 LYS H H 1 7.003 0.000 . 1 . . . . 511 LYS HN . 17529 1
289 . 1 1 40 40 LYS HA H 1 4.042 0.000 . 1 . . . . 511 LYS HA . 17529 1
290 . 1 1 40 40 LYS HB2 H 1 1.231 0.000 . 2 . . . . 511 LYS HB2 . 17529 1
291 . 1 1 40 40 LYS HB3 H 1 1.279 0.000 . 2 . . . . 511 LYS HB3 . 17529 1
292 . 1 1 40 40 LYS HG2 H 1 1.526 0.000 . 2 . . . . 511 LYS HG2 . 17529 1
293 . 1 1 40 40 LYS HD2 H 1 0.959 0.000 . 2 . . . . 511 LYS HD2 . 17529 1
294 . 1 1 40 40 LYS HD3 H 1 1.041 0.008 . 2 . . . . 511 LYS HD3 . 17529 1
295 . 1 1 40 40 LYS HE2 H 1 2.640 0.000 . 2 . . . . 511 LYS HE2 . 17529 1
296 . 1 1 40 40 LYS CA C 13 53.142 0.001 . 1 . . . . 511 LYS CA . 17529 1
297 . 1 1 40 40 LYS CB C 13 27.310 0.000 . 1 . . . . 511 LYS CB . 17529 1
298 . 1 1 40 40 LYS N N 15 118.363 0.000 . 1 . . . . 511 LYS N . 17529 1
299 . 1 1 41 41 PHE H H 1 7.640 0.000 . 1 . . . . 512 PHE HN . 17529 1
300 . 1 1 41 41 PHE HA H 1 4.373 0.040 . 1 . . . . 512 PHE HA . 17529 1
301 . 1 1 41 41 PHE HB2 H 1 2.889 0.000 . 2 . . . . 512 PHE HB2 . 17529 1
302 . 1 1 41 41 PHE HB3 H 1 2.613 0.000 . 2 . . . . 512 PHE HB3 . 17529 1
303 . 1 1 41 41 PHE HD1 H 1 7.010 0.001 . 3 . . . . 512 PHE QD . 17529 1
304 . 1 1 41 41 PHE HD2 H 1 7.010 0.001 . 3 . . . . 512 PHE QD . 17529 1
305 . 1 1 41 41 PHE HE1 H 1 7.064 0.004 . 3 . . . . 512 PHE QE . 17529 1
306 . 1 1 41 41 PHE HE2 H 1 7.064 0.004 . 3 . . . . 512 PHE QE . 17529 1
307 . 1 1 41 41 PHE HZ H 1 6.850 0.000 . 1 . . . . 512 PHE HZ . 17529 1
308 . 1 1 41 41 PHE CA C 13 49.412 0.004 . 1 . . . . 512 PHE CA . 17529 1
309 . 1 1 41 41 PHE N N 15 120.502 0.000 . 1 . . . . 512 PHE N . 17529 1
310 . 1 1 42 42 PRO HA H 1 4.195 0.000 . 1 . . . . 513 PRO HA . 17529 1
311 . 1 1 42 42 PRO HB2 H 1 1.982 0.000 . 2 . . . . 513 PRO HB2 . 17529 1
312 . 1 1 42 42 PRO HB3 H 1 1.710 0.000 . 2 . . . . 513 PRO HB3 . 17529 1
313 . 1 1 42 42 PRO HG2 H 1 1.577 0.000 . 2 . . . . 513 PRO HG2 . 17529 1
314 . 1 1 42 42 PRO HD2 H 1 3.404 0.001 . 2 . . . . 513 PRO HD2 . 17529 1
315 . 1 1 42 42 PRO HD3 H 1 3.284 0.002 . 2 . . . . 513 PRO HD3 . 17529 1
316 . 1 1 43 43 VAL H H 1 7.900 0.001 . 1 . . . . 514 VAL HN . 17529 1
317 . 1 1 43 43 VAL HA H 1 3.966 0.000 . 1 . . . . 514 VAL HA . 17529 1
318 . 1 1 43 43 VAL HB H 1 1.195 0.000 . 1 . . . . 514 VAL HB . 17529 1
319 . 1 1 43 43 VAL CA C 13 56.742 0.000 . 1 . . . . 514 VAL CA . 17529 1
320 . 1 1 43 43 VAL CB C 13 26.699 0.000 . 1 . . . . 514 VAL CB . 17529 1
321 . 1 1 44 44 HIS H H 1 7.707 0.000 . 1 . . . . 515 HIS HN . 17529 1
322 . 1 1 44 44 HIS HA H 1 4.256 0.000 . 1 . . . . 515 HIS HA . 17529 1
323 . 1 1 44 44 HIS HB2 H 1 2.703 0.000 . 2 . . . . 515 HIS HB2 . 17529 1
324 . 1 1 44 44 HIS HB3 H 1 2.570 0.000 . 2 . . . . 515 HIS HB3 . 17529 1
325 . 1 1 44 44 HIS HD1 H 1 6.525 0.001 . 1 . . . . 515 HIS HD1 . 17529 1
326 . 1 1 44 44 HIS HD2 H 1 6.524 0.000 . 1 . . . . 515 HIS HD2 . 17529 1
327 . 1 1 44 44 HIS HE1 H 1 6.968 0.005 . 1 . . . . 515 HIS HE1 . 17529 1
328 . 1 1 44 44 HIS CA C 13 51.256 0.000 . 1 . . . . 515 HIS CA . 17529 1
329 . 1 1 44 44 HIS CB C 13 25.011 0.000 . 1 . . . . 515 HIS CB . 17529 1
330 . 1 1 44 44 HIS N N 15 126.803 0.000 . 1 . . . . 515 HIS N . 17529 1
331 . 2 2 1 1 ALA HA H 1 4.064 0.000 . 1 . . . B 202 ALA HA . 17529 1
332 . 2 2 1 1 ALA H H 1 8.193 0.000 . 1 . . . B 202 ALA H1 . 17529 1
333 . 2 2 2 2 GLY H H 1 8.229 0.002 . 1 . . . B 203 GLY H . 17529 1
334 . 2 2 3 3 SEP H H 1 7.986 0.002 . 1 . . . B 204 SEP H . 17529 1
335 . 2 2 3 3 SEP HA H 1 4.515 0.001 . 1 . . . B 204 SEP HA . 17529 1
336 . 2 2 3 3 SEP HB2 H 1 3.641 0.009 . 1 . . . B 204 SEP HB2 . 17529 1
337 . 2 2 3 3 SEP HB3 H 1 3.601 0.001 . 1 . . . B 204 SEP HB3 . 17529 1
338 . 2 2 4 4 PRO HA H 1 4.207 0.003 . 1 . . . B 205 PRO HA . 17529 1
339 . 2 2 5 5 ASN H H 1 8.329 0.000 . 1 . . . B 206 ASN H . 17529 1
340 . 2 2 5 5 ASN HA H 1 4.425 0.000 . 1 . . . B 206 ASN HA . 17529 1
341 . 2 2 5 5 ASN HB2 H 1 2.574 0.000 . 2 . . . B 206 ASN HB2 . 17529 1
342 . 2 2 5 5 ASN HB3 H 1 2.467 0.000 . 2 . . . B 206 ASN HB3 . 17529 1
343 . 2 2 5 5 ASN HD21 H 1 7.475 0.002 . 2 . . . B 206 ASN HD21 . 17529 1
344 . 2 2 5 5 ASN HD22 H 1 6.872 0.000 . 2 . . . B 206 ASN HD22 . 17529 1
345 . 2 2 6 6 LEU H H 1 8.113 0.003 . 1 . . . B 207 LEU H . 17529 1
346 . 2 2 6 6 LEU HA H 1 4.151 0.004 . 1 . . . B 207 LEU HA . 17529 1
347 . 2 2 6 6 LEU HB2 H 1 1.359 0.010 . 2 . . . B 207 LEU HB2 . 17529 1
348 . 2 2 7 7 SEP H H 1 8.407 0.000 . 1 . . . B 208 SEP H . 17529 1
349 . 2 2 7 7 SEP HA H 1 4.537 0.001 . 1 . . . B 208 SEP HA . 17529 1
350 . 2 2 7 7 SEP HB2 H 1 3.807 0.002 . 2 . . . B 208 SEP HB2 . 17529 1
351 . 2 2 7 7 SEP HB3 H 1 3.774 0.002 . 2 . . . B 208 SEP HB3 . 17529 1
352 . 2 2 8 8 PRO HA H 1 4.158 0.000 . 1 . . . B 209 PRO HA . 17529 1
353 . 2 2 8 8 PRO HB2 H 1 2.028 0.000 . 2 . . . B 209 PRO HB2 . 17529 1
354 . 2 2 8 8 PRO HB3 H 1 1.768 0.001 . 2 . . . B 209 PRO HB3 . 17529 1
355 . 2 2 8 8 PRO HG2 H 1 1.655 0.002 . 2 . . . B 209 PRO HG2 . 17529 1
356 . 2 2 9 9 ASN H H 1 8.291 0.000 . 1 . . . B 210 ASN H . 17529 1
357 . 2 2 9 9 ASN HA H 1 4.409 0.000 . 1 . . . B 210 ASN HA . 17529 1
358 . 2 2 9 9 ASN HB2 H 1 2.558 0.000 . 2 . . . B 210 ASN HB2 . 17529 1
359 . 2 2 9 9 ASN HB3 H 1 2.490 0.000 . 2 . . . B 210 ASN HB3 . 17529 1
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