Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
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 51623
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'chem shift list 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 $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-15N HSQC' . . . 51623 1
2 '2D 1H-15N HSQC TOCSY' . . . 51623 1
3 '2D 1H-13C HSQC' . . . 51623 1
4 '2D 1H-13C HSQC TOCSY' . . . 51623 1
5 '2D 1H-13C HMBC' . . . 51623 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 $software_1 . . 51623 1
2 $software_2 . . 51623 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 DPN H H 1 8.224 0.00 . 1 . . . . . 1 PHE HN . 51623 1
2 . 1 . 1 1 1 DPN HA H 1 4.349 0.00 . 1 . . . . . 1 PHE HA . 51623 1
3 . 1 . 1 1 1 DPN HB2 H 1 2.958 0.00 . 2 . . . . . 1 PHE HB2 . 51623 1
4 . 1 . 1 1 1 DPN HB3 H 1 3.068 0.00 . 2 . . . . . 1 PHE HB3 . 51623 1
5 . 1 . 1 1 1 DPN HD1 H 1 7.223 0.00 . 3 . . . . . 1 PHE HD . 51623 1
6 . 1 . 1 1 1 DPN HD2 H 1 7.223 0.00 . 3 . . . . . 1 PHE HD . 51623 1
7 . 1 . 1 1 1 DPN HE1 H 1 7.341 0.00 . 3 . . . . . 1 PHE HE . 51623 1
8 . 1 . 1 1 1 DPN HE2 H 1 7.341 0.00 . 3 . . . . . 1 PHE HE . 51623 1
9 . 1 . 1 1 1 DPN HZ H 1 7.316 0.01 . 1 . . . . . 1 PHE HZ . 51623 1
10 . 1 . 1 1 1 DPN C C 13 166.900 0.00 . 1 . . . . . 1 PHE C . 51623 1
11 . 1 . 1 1 1 DPN CA C 13 52.396 0.01 . 1 . . . . . 1 PHE CA . 51623 1
12 . 1 . 1 1 1 DPN CB C 13 37.241 0.01 . 1 . . . . . 1 PHE CB . 51623 1
13 . 1 . 1 1 1 DPN CG C 13 134.941 0.01 . 1 . . . . . 1 PHE CG . 51623 1
14 . 1 . 1 1 1 DPN CD1 C 13 129.986 0.01 . 3 . . . . . 1 PHE CD . 51623 1
15 . 1 . 1 1 1 DPN CD2 C 13 129.986 0.01 . 3 . . . . . 1 PHE CD . 51623 1
16 . 1 . 1 1 1 DPN CE1 C 13 129.046 0.00 . 3 . . . . . 1 PHE CE . 51623 1
17 . 1 . 1 1 1 DPN CE2 C 13 129.046 0.00 . 3 . . . . . 1 PHE CE . 51623 1
18 . 1 . 1 1 1 DPN CZ C 13 127.921 0.00 . 1 . . . . . 1 PHE CZ . 51623 1
19 . 1 . 1 2 2 PRO HA H 1 4.243 0.00 . 1 . . . . . 2 PRO HA . 51623 1
20 . 1 . 1 2 2 PRO HB2 H 1 1.683 0.00 . 2 . . . . . 2 PRO HB2 . 51623 1
21 . 1 . 1 2 2 PRO HB3 H 1 1.767 0.00 . 2 . . . . . 2 PRO HB3 . 51623 1
22 . 1 . 1 2 2 PRO HG2 H 1 1.416 0.00 . 2 . . . . . 2 PRO HG2 . 51623 1
23 . 1 . 1 2 2 PRO HG3 H 1 1.686 0.00 . 2 . . . . . 2 PRO HG3 . 51623 1
24 . 1 . 1 2 2 PRO HD2 H 1 2.696 0.00 . 2 . . . . . 2 PRO HD2 . 51623 1
25 . 1 . 1 2 2 PRO HD3 H 1 3.467 0.00 . 2 . . . . . 2 PRO HD3 . 51623 1
26 . 1 . 1 2 2 PRO C C 13 171.376 0.00 . 1 . . . . . 2 PRO C . 51623 1
27 . 1 . 1 2 2 PRO CA C 13 59.788 0.01 . 1 . . . . . 2 PRO CA . 51623 1
28 . 1 . 1 2 2 PRO CB C 13 29.698 0.00 . 1 . . . . . 2 PRO CB . 51623 1
29 . 1 . 1 2 2 PRO CG C 13 24.225 0.00 . 1 . . . . . 2 PRO CG . 51623 1
30 . 1 . 1 2 2 PRO CD C 13 47.211 0.00 . 1 . . . . . 2 PRO CD . 51623 1
31 . 1 . 1 3 3 ARG H H 1 8.143 0.00 . 1 . . . . . 3 ARG HN . 51623 1
32 . 1 . 1 3 3 ARG HA H 1 4.409 0.00 . 1 . . . . . 3 ARG HA . 51623 1
33 . 1 . 1 3 3 ARG HB2 H 1 1.519 0.00 . 2 . . . . . 3 ARG HB2 . 51623 1
34 . 1 . 1 3 3 ARG HB3 H 1 1.704 0.01 . 2 . . . . . 3 ARG HB3 . 51623 1
35 . 1 . 1 3 3 ARG HG2 H 1 1.547 0.00 . 2 . . . . . 3 ARG HG . 51623 1
36 . 1 . 1 3 3 ARG HG3 H 1 1.547 0.00 . 2 . . . . . 3 ARG HG . 51623 1
37 . 1 . 1 3 3 ARG HD2 H 1 3.087 0.00 . 2 . . . . . 3 ARG HD . 51623 1
38 . 1 . 1 3 3 ARG HD3 H 1 3.087 0.00 . 2 . . . . . 3 ARG HD . 51623 1
39 . 1 . 1 3 3 ARG HE H 1 7.589 0.01 . 1 . . . . . 3 ARG HE . 51623 1
40 . 1 . 1 3 3 ARG HH11 H 1 6.945 0.00 . 1 . . . . . 3 ARG HH1 . 51623 1
41 . 1 . 1 3 3 ARG HH12 H 1 6.945 0.00 . 1 . . . . . 3 ARG HH1 . 51623 1
42 . 1 . 1 3 3 ARG HH21 H 1 7.337 0.00 . 1 . . . . . 3 ARG HH2 . 51623 1
43 . 1 . 1 3 3 ARG HH22 H 1 7.337 0.00 . 1 . . . . . 3 ARG HH2 . 51623 1
44 . 1 . 1 3 3 ARG C C 13 170.234 0.00 . 1 . . . . . 3 ARG C . 51623 1
45 . 1 . 1 3 3 ARG CA C 13 50.702 0.01 . 1 . . . . . 3 ARG CA . 51623 1
46 . 1 . 1 3 3 ARG CB C 13 28.575 0.00 . 1 . . . . . 3 ARG CB . 51623 1
47 . 1 . 1 3 3 ARG CG C 13 25.104 0.01 . 1 . . . . . 3 ARG CG . 51623 1
48 . 1 . 1 3 3 ARG CD C 13 41.078 0.01 . 1 . . . . . 3 ARG CD . 51623 1
49 . 1 . 1 3 3 ARG CZ C 13 157.197 0.00 . 1 . . . . . 3 ARG CZ . 51623 1
50 . 1 . 1 3 3 ARG N N 15 117.799 0.01 . 1 . . . . . 3 ARG N . 51623 1
51 . 1 . 1 3 3 ARG NE N 15 84.80 0.01 . 1 . . . . . 3 ARG NE . 51623 1
52 . 1 . 1 4 4 PRO HA H 1 4.294 0.00 . 1 . . . . . 4 PRO HA . 51623 1
53 . 1 . 1 4 4 PRO HB2 H 1 1.836 0.01 . 2 . . . . . 4 PRO HB2 . 51623 1
54 . 1 . 1 4 4 PRO HB3 H 1 2.053 0.00 . 2 . . . . . 4 PRO HB3 . 51623 1
55 . 1 . 1 4 4 PRO HG2 H 1 1.811 0.01 . 2 . . . . . 4 PRO HG2 . 51623 1
56 . 1 . 1 4 4 PRO HG3 H 1 1.942 0.01 . 2 . . . . . 4 PRO HG3 . 51623 1
57 . 1 . 1 4 4 PRO HD2 H 1 3.525 0.01 . 2 . . . . . 4 PRO HD2 . 51623 1
58 . 1 . 1 4 4 PRO HD3 H 1 3.614 0.00 . 2 . . . . . 4 PRO HD3 . 51623 1
59 . 1 . 1 4 4 PRO C C 13 172.581 0.00 . 1 . . . . . 4 PRO C . 51623 1
60 . 1 . 1 4 4 PRO CA C 13 60.162 0.00 . 1 . . . . . 4 PRO CA . 51623 1
61 . 1 . 1 4 4 PRO CB C 13 29.589 0.01 . 1 . . . . . 4 PRO CB . 51623 1
62 . 1 . 1 4 4 PRO CG C 13 25.012 0.01 . 1 . . . . . 4 PRO CG . 51623 1
63 . 1 . 1 4 4 PRO CD C 13 47.242 0.01 . 1 . . . . . 4 PRO CD . 51623 1
64 . 1 . 1 5 5 GLY H H 1 8.254 0.00 . 1 . . . . . 5 GLY HN . 51623 1
65 . 1 . 1 5 5 GLY HA2 H 1 3.685 0.00 . 2 . . . . . 5 GLY HA2 . 51623 1
66 . 1 . 1 5 5 GLY HA3 H 1 3.757 0.00 . 2 . . . . . 5 GLY HA3 . 51623 1
67 . 1 . 1 5 5 GLY C C 13 169.705 0.00 . 1 . . . . . 5 GLY C . 51623 1
68 . 1 . 1 5 5 GLY CA C 13 42.496 0.01 . 1 . . . . . 5 GLY CA . 51623 1
69 . 1 . 1 5 5 GLY N N 15 105.764 0.00 . 1 . . . . . 5 GLY N . 51623 1
70 . 1 . 1 6 6 GLY H H 1 8.033 0.00 . 1 . . . . . 6 GLY HN . 51623 1
71 . 1 . 1 6 6 GLY HA2 H 1 3.750 0.00 . 2 . . . . . 6 GLY HA . 51623 1
72 . 1 . 1 6 6 GLY HA3 H 1 3.750 0.00 . 2 . . . . . 6 GLY HA . 51623 1
73 . 1 . 1 6 6 GLY C C 13 169.687 0.00 . 1 . . . . . 6 GLY C . 51623 1
74 . 1 . 1 6 6 GLY CA C 13 42.485 0.00 . 1 . . . . . 6 GLY CA . 51623 1
75 . 1 . 1 6 6 GLY N N 15 104.868 0.00 . 1 . . . . . 6 GLY N . 51623 1
76 . 1 . 1 7 7 GLY H H 1 8.152 0.00 . 1 . . . . . 7 GLY HN . 51623 1
77 . 1 . 1 7 7 GLY HA2 H 1 3.750 0.01 . 2 . . . . . 7 GLY HA . 51623 1
78 . 1 . 1 7 7 GLY HA3 H 1 3.750 0.01 . 2 . . . . . 7 GLY HA . 51623 1
79 . 1 . 1 7 7 GLY C C 13 169.559 0.01 . 1 . . . . . 7 GLY C . 51623 1
80 . 1 . 1 7 7 GLY CA C 13 42.383 0.00 . 1 . . . . . 7 GLY CA . 51623 1
81 . 1 . 1 7 7 GLY N N 15 105.587 0.01 . 1 . . . . . 7 GLY N . 51623 1
82 . 1 . 1 8 8 GLY H H 1 8.099 0.00 . 1 . . . . . 8 GLY HN . 51623 1
83 . 1 . 1 8 8 GLY HA2 H 1 3.754 0.00 . 2 . . . . . 8 GLY HA . 51623 1
84 . 1 . 1 8 8 GLY HA3 H 1 3.754 0.00 . 2 . . . . . 8 GLY HA . 51623 1
85 . 1 . 1 8 8 GLY C C 13 169.183 0.01 . 1 . . . . . 8 GLY C . 51623 1
86 . 1 . 1 8 8 GLY CA C 13 42.357 0.00 . 1 . . . . . 8 GLY CA . 51623 1
87 . 1 . 1 8 8 GLY N N 15 105.475 0.01 . 1 . . . . . 8 GLY N . 51623 1
88 . 1 . 1 9 9 ASN H H 1 8.165 0.00 . 1 . . . . . 9 ASN HN . 51623 1
89 . 1 . 1 9 9 ASN HA H 1 4.549 0.00 . 1 . . . . . 9 ASN HA . 51623 1
90 . 1 . 1 9 9 ASN HB2 H 1 2.461 0.00 . 2 . . . . . 9 ASN HB2 . 51623 1
91 . 1 . 1 9 9 ASN HB3 H 1 2.566 0.00 . 2 . . . . . 9 ASN HB3 . 51623 1
92 . 1 . 1 9 9 ASN HD21 H 1 6.944 0.00 . 1 . . . . . 9 ASN HD21 . 51623 1
93 . 1 . 1 9 9 ASN HD22 H 1 7.434 0.00 . 1 . . . . . 9 ASN HD22 . 51623 1
94 . 1 . 1 9 9 ASN C C 13 171.831 0.00 . 1 . . . . . 9 ASN C . 51623 1
95 . 1 . 1 9 9 ASN CA C 13 50.235 0.01 . 1 . . . . . 9 ASN CA . 51623 1
96 . 1 . 1 9 9 ASN CB C 13 37.598 0.01 . 1 . . . . . 9 ASN CB . 51623 1
97 . 1 . 1 9 9 ASN CG C 13 172.106 0.00 . 1 . . . . . 9 ASN CG . 51623 1
98 . 1 . 1 9 9 ASN N N 15 116.947 0.01 . 1 . . . . . 9 ASN N . 51623 1
99 . 1 . 1 9 9 ASN ND2 N 15 110.535 0.00 . 1 . . . . . 9 ASN ND2 . 51623 1
100 . 1 . 1 10 10 GLY H H 1 8.155 0.00 . 1 . . . . . 10 GLY HN . 51623 1
101 . 1 . 1 10 10 GLY HA2 H 1 3.630 0.00 . 2 . . . . . 10 GLY HA2 . 51623 1
102 . 1 . 1 10 10 GLY HA3 H 1 3.713 0.00 . 2 . . . . . 10 GLY HA3 . 51623 1
103 . 1 . 1 10 10 GLY C C 13 169.222 0.01 . 1 . . . . . 10 GLY C . 51623 1
104 . 1 . 1 10 10 GLY CA C 13 42.656 0.00 . 1 . . . . . 10 GLY CA . 51623 1
105 . 1 . 1 10 10 GLY N N 15 105.940 0.01 . 1 . . . . . 10 GLY N . 51623 1
106 . 1 . 1 11 11 ASP H H 1 8.115 0.00 . 1 . . . . . 11 ASP HN . 51623 1
107 . 1 . 1 11 11 ASP HA H 1 4.541 0.00 . 1 . . . . . 11 ASP HA . 51623 1
108 . 1 . 1 11 11 ASP HB2 H 1 2.435 0.00 . 2 . . . . . 11 ASP HB2 . 51623 1
109 . 1 . 1 11 11 ASP HB3 H 1 2.657 0.01 . 2 . . . . . 11 ASP HB3 . 51623 1
110 . 1 . 1 11 11 ASP C C 13 170.795 0.00 . 1 . . . . . 11 ASP C . 51623 1
111 . 1 . 1 11 11 ASP CA C 13 49.962 0.01 . 1 . . . . . 11 ASP CA . 51623 1
112 . 1 . 1 11 11 ASP CB C 13 36.293 0.01 . 1 . . . . . 11 ASP CB . 51623 1
113 . 1 . 1 11 11 ASP CG C 13 172.180 0.00 . 1 . . . . . 11 ASP CG . 51623 1
114 . 1 . 1 11 11 ASP N N 15 116.557 0.01 . 1 . . . . . 11 ASP N . 51623 1
115 . 1 . 1 12 12 PHE H H 1 7.793 0.00 . 1 . . . . . 12 PHE HN . 51623 1
116 . 1 . 1 12 12 PHE HA H 1 4.463 0.00 . 1 . . . . . 12 PHE HA . 51623 1
117 . 1 . 1 12 12 PHE HB2 H 1 2.807 0.00 . 2 . . . . . 12 PHE HB2 . 51623 1
118 . 1 . 1 12 12 PHE HB3 H 1 3.013 0.00 . 2 . . . . . 12 PHE HB3 . 51623 1
119 . 1 . 1 12 12 PHE HD1 H 1 7.199 0.00 . 3 . . . . . 12 PHE HD . 51623 1
120 . 1 . 1 12 12 PHE HD2 H 1 7.199 0.00 . 3 . . . . . 12 PHE HD . 51623 1
121 . 1 . 1 12 12 PHE HE1 H 1 7.234 0.00 . 3 . . . . . 12 PHE HE . 51623 1
122 . 1 . 1 12 12 PHE HE2 H 1 7.234 0.00 . 3 . . . . . 12 PHE HE . 51623 1
123 . 1 . 1 12 12 PHE HZ H 1 7.171 0.00 . 1 . . . . . 12 PHE HZ . 51623 1
124 . 1 . 1 12 12 PHE C C 13 170.962 0.00 . 1 . . . . . 12 PHE C . 51623 1
125 . 1 . 1 12 12 PHE CA C 13 54.303 0.00 . 1 . . . . . 12 PHE CA . 51623 1
126 . 1 . 1 12 12 PHE CB C 13 37.687 0.01 . 1 . . . . . 12 PHE CB . 51623 1
127 . 1 . 1 12 12 PHE CG C 13 138.031 0.01 . 1 . . . . . 12 PHE CG . 51623 1
128 . 1 . 1 12 12 PHE CD1 C 13 129.737 0.00 . 3 . . . . . 12 PHE CD . 51623 1
129 . 1 . 1 12 12 PHE CD2 C 13 129.737 0.00 . 3 . . . . . 12 PHE CD . 51623 1
130 . 1 . 1 12 12 PHE CE1 C 13 128.469 0.01 . 3 . . . . . 12 PHE CE . 51623 1
131 . 1 . 1 12 12 PHE CE2 C 13 128.469 0.01 . 3 . . . . . 12 PHE CE . 51623 1
132 . 1 . 1 12 12 PHE CZ C 13 126.718 0.01 . 1 . . . . . 12 PHE CZ . 51623 1
133 . 1 . 1 12 12 PHE N N 15 115.750 0.01 . 1 . . . . . 12 PHE N . 51623 1
134 . 1 . 1 13 13 GLU H H 1 7.970 0.00 . 1 . . . . . 13 GLU HN . 51623 1
135 . 1 . 1 13 13 GLU HA H 1 4.298 0.00 . 1 . . . . . 13 GLU HA . 51623 1
136 . 1 . 1 13 13 GLU HB2 H 1 1.710 0.01 . 2 . . . . . 13 GLU HB2 . 51623 1
137 . 1 . 1 13 13 GLU HB3 H 1 1.849 0.01 . 2 . . . . . 13 GLU HB3 . 51623 1
138 . 1 . 1 13 13 GLU HG2 H 1 2.173 0.01 . 2 . . . . . 13 GLU HG2 . 51623 1
139 . 1 . 1 13 13 GLU HG3 H 1 2.229 0.01 . 2 . . . . . 13 GLU HG3 . 51623 1
140 . 1 . 1 13 13 GLU C C 13 171.298 0.01 . 1 . . . . . 13 GLU C . 51623 1
141 . 1 . 1 13 13 GLU CA C 13 52.061 0.01 . 1 . . . . . 13 GLU CA . 51623 1
142 . 1 . 1 13 13 GLU CB C 13 28.095 0.01 . 1 . . . . . 13 GLU CB . 51623 1
143 . 1 . 1 13 13 GLU CG C 13 30.759 0.01 . 1 . . . . . 13 GLU CG . 51623 1
144 . 1 . 1 13 13 GLU CD C 13 174.447 0.00 . 1 . . . . . 13 GLU CD . 51623 1
145 . 1 . 1 13 13 GLU N N 15 116.727 0.01 . 1 . . . . . 13 GLU N . 51623 1
146 . 1 . 1 14 14 ILE H H 1 8.023 0.00 . 1 . . . . . 14 ILE HN . 51623 1
147 . 1 . 1 14 14 ILE HA H 1 4.323 0.00 . 1 . . . . . 14 ILE HA . 51623 1
148 . 1 . 1 14 14 ILE HB H 1 1.744 0.00 . 1 . . . . . 14 ILE HB . 51623 1
149 . 1 . 1 14 14 ILE HG12 H 1 1.072 0.00 . 2 . . . . . 14 ILE HG12 . 51623 1
150 . 1 . 1 14 14 ILE HG13 H 1 1.516 0.00 . 2 . . . . . 14 ILE HG13 . 51623 1
151 . 1 . 1 14 14 ILE HG21 H 1 0.885 0.00 . 1 . . . . . 14 ILE HG2 . 51623 1
152 . 1 . 1 14 14 ILE HG22 H 1 0.885 0.00 . 1 . . . . . 14 ILE HG2 . 51623 1
153 . 1 . 1 14 14 ILE HG23 H 1 0.885 0.00 . 1 . . . . . 14 ILE HG2 . 51623 1
154 . 1 . 1 14 14 ILE HD11 H 1 0.816 0.00 . 1 . . . . . 14 ILE HD1 . 51623 1
155 . 1 . 1 14 14 ILE HD12 H 1 0.816 0.00 . 1 . . . . . 14 ILE HD1 . 51623 1
156 . 1 . 1 14 14 ILE HD13 H 1 0.816 0.00 . 1 . . . . . 14 ILE HD1 . 51623 1
157 . 1 . 1 14 14 ILE C C 13 170.427 0.00 . 1 . . . . . 14 ILE C . 51623 1
158 . 1 . 1 14 14 ILE CA C 13 55.079 0.01 . 1 . . . . . 14 ILE CA . 51623 1
159 . 1 . 1 14 14 ILE CB C 13 36.632 0.01 . 1 . . . . . 14 ILE CB . 51623 1
160 . 1 . 1 14 14 ILE CG1 C 13 24.737 0.01 . 1 . . . . . 14 ILE CG1 . 51623 1
161 . 1 . 1 14 14 ILE CG2 C 13 15.360 0.01 . 1 . . . . . 14 ILE CG2 . 51623 1
162 . 1 . 1 14 14 ILE CD1 C 13 11.240 0.01 . 1 . . . . . 14 ILE CD1 . 51623 1
163 . 1 . 1 14 14 ILE N N 15 119.041 0.00 . 1 . . . . . 14 ILE N . 51623 1
164 . 1 . 1 15 15 PRO HA H 1 4.346 0.01 . 1 . . . . . 15 PRO HA . 51623 1
165 . 1 . 1 15 15 PRO HB2 H 1 1.805 0.01 . 2 . . . . . 15 PRO HB2 . 51623 1
166 . 1 . 1 15 15 PRO HB3 H 1 2.006 0.00 . 2 . . . . . 15 PRO HB3 . 51623 1
167 . 1 . 1 15 15 PRO HG2 H 1 1.900 0.01 . 2 . . . . . 15 PRO HG . 51623 1
168 . 1 . 1 15 15 PRO HG3 H 1 1.900 0.01 . 2 . . . . . 15 PRO HG . 51623 1
169 . 1 . 1 15 15 PRO HD2 H 1 3.548 0.01 . 2 . . . . . 15 PRO HD2 . 51623 1
170 . 1 . 1 15 15 PRO HD3 H 1 3.750 0.01 . 2 . . . . . 15 PRO HD3 . 51623 1
171 . 1 . 1 15 15 PRO C C 13 172.141 0.00 . 1 . . . . . 15 PRO C . 51623 1
172 . 1 . 1 15 15 PRO CA C 13 59.630 0.00 . 1 . . . . . 15 PRO CA . 51623 1
173 . 1 . 1 15 15 PRO CB C 13 29.485 0.01 . 1 . . . . . 15 PRO CB . 51623 1
174 . 1 . 1 15 15 PRO CG C 13 24.949 0.00 . 1 . . . . . 15 PRO CG . 51623 1
175 . 1 . 1 15 15 PRO CD C 13 47.690 0.01 . 1 . . . . . 15 PRO CD . 51623 1
176 . 1 . 1 16 16 GLU H H 1 8.084 0.00 . 1 . . . . . 16 GLU HN . 51623 1
177 . 1 . 1 16 16 GLU HA H 1 4.181 0.00 . 1 . . . . . 16 GLU HA . 51623 1
178 . 1 . 1 16 16 GLU HB2 H 1 1.737 0.00 . 2 . . . . . 16 GLU HB2 . 51623 1
179 . 1 . 1 16 16 GLU HB3 H 1 1.875 0.00 . 2 . . . . . 16 GLU HB3 . 51623 1
180 . 1 . 1 16 16 GLU HG2 H 1 2.247 0.01 . 2 . . . . . 16 GLU HG2 . 51623 1
181 . 1 . 1 16 16 GLU HG3 H 1 2.291 0.01 . 2 . . . . . 16 GLU HG3 . 51623 1
182 . 1 . 1 16 16 GLU C C 13 171.493 0.01 . 1 . . . . . 16 GLU C . 51623 1
183 . 1 . 1 16 16 GLU CA C 13 52.614 0.01 . 1 . . . . . 16 GLU CA . 51623 1
184 . 1 . 1 16 16 GLU CB C 13 27.541 0.01 . 1 . . . . . 16 GLU CB . 51623 1
185 . 1 . 1 16 16 GLU CG C 13 30.579 0.00 . 1 . . . . . 16 GLU CG . 51623 1
186 . 1 . 1 16 16 GLU CD C 13 174.522 0.00 . 1 . . . . . 16 GLU CD . 51623 1
187 . 1 . 1 16 16 GLU N N 15 117.509 0.01 . 1 . . . . . 16 GLU N . 51623 1
188 . 1 . 1 17 17 GLU H H 1 7.805 0.00 . 1 . . . . . 17 GLU HN . 51623 1
189 . 1 . 1 17 17 GLU HA H 1 4.207 0.00 . 1 . . . . . 17 GLU HA . 51623 1
190 . 1 . 1 17 17 GLU HB2 H 1 1.693 0.00 . 2 . . . . . 17 GLU HB2 . 51623 1
191 . 1 . 1 17 17 GLU HB3 H 1 1.832 0.00 . 2 . . . . . 17 GLU HB3 . 51623 1
192 . 1 . 1 17 17 GLU HG2 H 1 2.164 0.00 . 2 . . . . . 17 GLU HG . 51623 1
193 . 1 . 1 17 17 GLU HG3 H 1 2.164 0.00 . 2 . . . . . 17 GLU HG . 51623 1
194 . 1 . 1 17 17 GLU C C 13 171.084 0.00 . 1 . . . . . 17 GLU C . 51623 1
195 . 1 . 1 17 17 GLU CA C 13 52.194 0.00 . 1 . . . . . 17 GLU CA . 51623 1
196 . 1 . 1 17 17 GLU CB C 13 27.983 0.00 . 1 . . . . . 17 GLU CB . 51623 1
197 . 1 . 1 17 17 GLU CG C 13 30.303 0.00 . 1 . . . . . 17 GLU CG . 51623 1
198 . 1 . 1 17 17 GLU CD C 13 174.489 0.00 . 1 . . . . . 17 GLU CD . 51623 1
199 . 1 . 1 17 17 GLU N N 15 116.333 0.01 . 1 . . . . . 17 GLU N . 51623 1
200 . 1 . 1 18 18 TYR H H 1 7.927 0.00 . 1 . . . . . 18 TYR HN . 51623 1
201 . 1 . 1 18 18 TYR HA H 1 4.445 0.00 . 1 . . . . . 18 TYR HA . 51623 1
202 . 1 . 1 18 18 TYR HB2 H 1 2.666 0.00 . 2 . . . . . 18 TYR HB2 . 51623 1
203 . 1 . 1 18 18 TYR HB3 H 1 2.916 0.00 . 2 . . . . . 18 TYR HB3 . 51623 1
204 . 1 . 1 18 18 TYR HD1 H 1 7.011 0.00 . 3 . . . . . 18 TYR HD . 51623 1
205 . 1 . 1 18 18 TYR HD2 H 1 7.011 0.00 . 3 . . . . . 18 TYR HD . 51623 1
206 . 1 . 1 18 18 TYR HE1 H 1 6.620 0.00 . 3 . . . . . 18 TYR HE . 51623 1
207 . 1 . 1 18 18 TYR HE2 H 1 6.620 0.00 . 3 . . . . . 18 TYR HE . 51623 1
208 . 1 . 1 18 18 TYR HH H 1 9.135 0.00 . 1 . . . . . 18 TYR HH . 51623 1
209 . 1 . 1 18 18 TYR C C 13 171.462 0.00 . 1 . . . . . 18 TYR C . 51623 1
210 . 1 . 1 18 18 TYR CA C 13 54.260 0.01 . 1 . . . . . 18 TYR CA . 51623 1
211 . 1 . 1 18 18 TYR CB C 13 36.878 0.01 . 1 . . . . . 18 TYR CB . 51623 1
212 . 1 . 1 18 18 TYR CG C 13 128.111 0.01 . 1 . . . . . 18 TYR CG . 51623 1
213 . 1 . 1 18 18 TYR CD1 C 13 130.481 0.00 . 3 . . . . . 18 TYR CD . 51623 1
214 . 1 . 1 18 18 TYR CD2 C 13 130.481 0.00 . 3 . . . . . 18 TYR CD . 51623 1
215 . 1 . 1 18 18 TYR CE1 C 13 115.312 0.00 . 3 . . . . . 18 TYR CE . 51623 1
216 . 1 . 1 18 18 TYR CE2 C 13 115.312 0.00 . 3 . . . . . 18 TYR CE . 51623 1
217 . 1 . 1 18 18 TYR CZ C 13 156.202 0.00 . 1 . . . . . 18 TYR CZ . 51623 1
218 . 1 . 1 18 18 TYR N N 15 117.250 0.01 . 1 . . . . . 18 TYR N . 51623 1
219 . 1 . 1 19 19 LEU H H 1 8.103 0.00 . 1 . . . . . 19 LEU HN . 51623 1
220 . 1 . 1 19 19 LEU HA H 1 4.223 0.00 . 1 . . . . . 19 LEU HA . 51623 1
221 . 1 . 1 19 19 LEU HB2 H 1 1.500 0.01 . 2 . . . . . 19 LEU HB2 . 51623 1
222 . 1 . 1 19 19 LEU HB3 H 1 1.540 0.00 . 2 . . . . . 19 LEU HB3 . 51623 1
223 . 1 . 1 19 19 LEU HG H 1 1.629 0.00 . 1 . . . . . 19 LEU HG . 51623 1
224 . 1 . 1 19 19 LEU HD11 H 1 0.828 0.00 . 2 . . . . . 19 LEU HD1 . 51623 1
225 . 1 . 1 19 19 LEU HD12 H 1 0.828 0.00 . 2 . . . . . 19 LEU HD1 . 51623 1
226 . 1 . 1 19 19 LEU HD13 H 1 0.828 0.00 . 2 . . . . . 19 LEU HD1 . 51623 1
227 . 1 . 1 19 19 LEU HD21 H 1 0.885 0.00 . 2 . . . . . 19 LEU HD2 . 51623 1
228 . 1 . 1 19 19 LEU HD22 H 1 0.885 0.00 . 2 . . . . . 19 LEU HD2 . 51623 1
229 . 1 . 1 19 19 LEU HD23 H 1 0.885 0.00 . 2 . . . . . 19 LEU HD2 . 51623 1
230 . 1 . 1 19 19 LEU C C 13 174.328 0.00 . 1 . . . . . 19 LEU C . 51623 1
231 . 1 . 1 19 19 LEU CA C 13 50.650 0.00 . 1 . . . . . 19 LEU CA . 51623 1
232 . 1 . 1 19 19 LEU CB C 13 40.450 0.01 . 1 . . . . . 19 LEU CB . 51623 1
233 . 1 . 1 19 19 LEU CG C 13 24.640 0.01 . 1 . . . . . 19 LEU CG . 51623 1
234 . 1 . 1 19 19 LEU CD1 C 13 21.731 0.00 . 2 . . . . . 19 LEU CD1 . 51623 1
235 . 1 . 1 19 19 LEU CD2 C 13 23.343 0.01 . 2 . . . . . 19 LEU CD2 . 51623 1
236 . 1 . 1 19 19 LEU N N 15 118.454 0.01 . 1 . . . . . 19 LEU N . 51623 1
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