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 51618
_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
2 '2D 1H-13C HSQC' . . . 51618 1
3 '2D 1H-1H NOESY' . . . 51618 1
4 '2D 13C HMBC' . . . 51618 1
5 '2D 13C HSQC TOCSY' . . . 51618 1
6 '2D 15N HSQCTOCSY' . . . 51618 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 . . 51618 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 7.284 0.00 . 1 . . . . . 1 PHE H . 51618 1
2 . 1 . 1 1 1 DPN HA H 1 4.527 0.00 . 1 . . . . . 1 PHE HA . 51618 1
3 . 1 . 1 1 1 DPN HB2 H 1 3.126 0.01 . 2 . . . . . 1 PHE HB2 . 51618 1
4 . 1 . 1 1 1 DPN HB3 H 1 3.233 0.01 . 2 . . . . . 1 PHE HB3 . 51618 1
5 . 1 . 1 1 1 DPN HD1 H 1 7.286 0.00 . 3 . . . . . 1 PHE HD . 51618 1
6 . 1 . 1 1 1 DPN HD2 H 1 7.286 0.00 . 3 . . . . . 1 PHE HD . 51618 1
7 . 1 . 1 1 1 DPN HE1 H 1 7.409 0.00 . 3 . . . . . 1 PHE HE . 51618 1
8 . 1 . 1 1 1 DPN HE2 H 1 7.409 0.00 . 3 . . . . . 1 PHE HE . 51618 1
9 . 1 . 1 1 1 DPN HZ H 1 7.385 0.00 . 1 . . . . . 1 PHE HZ . 51618 1
10 . 1 . 1 1 1 DPN C C 13 170.660 0.01 . 1 . . . . . 1 PHE C . 51618 1
11 . 1 . 1 1 1 DPN CA C 13 55.908 0.01 . 1 . . . . . 1 PHE CA . 51618 1
12 . 1 . 1 1 1 DPN CB C 13 39.398 0.00 . 1 . . . . . 1 PHE CB . 51618 1
13 . 1 . 1 1 1 DPN CG C 13 136.278 0.02 . 1 . . . . . 1 PHE CG . 51618 1
14 . 1 . 1 1 1 DPN CD1 C 13 132.226 0.00 . 3 . . . . . 1 PHE CD . 51618 1
15 . 1 . 1 1 1 DPN CD2 C 13 132.226 0.00 . 3 . . . . . 1 PHE CD . 51618 1
16 . 1 . 1 1 1 DPN CE1 C 13 131.919 0.00 . 3 . . . . . 1 PHE CE . 51618 1
17 . 1 . 1 1 1 DPN CE2 C 13 131.919 0.00 . 3 . . . . . 1 PHE CE . 51618 1
18 . 1 . 1 1 1 DPN CZ C 13 130.929 0.00 . 1 . . . . . 1 PHE CZ . 51618 1
19 . 1 . 1 2 2 PRO HA H 1 4.352 0.00 . 1 . . . . . 2 PRO HA . 51618 1
20 . 1 . 1 2 2 PRO HB2 H 1 1.786 0.01 . 2 . . . . . 2 PRO HB2 . 51618 1
21 . 1 . 1 2 2 PRO HB3 H 1 2.050 0.01 . 2 . . . . . 2 PRO HB3 . 51618 1
22 . 1 . 1 2 2 PRO HG2 H 1 1.525 0.01 . 2 . . . . . 2 PRO HG2 . 51618 1
23 . 1 . 1 2 2 PRO HG3 H 1 1.755 0.00 . 2 . . . . . 2 PRO HG3 . 51618 1
24 . 1 . 1 2 2 PRO HD2 H 1 2.726 0.00 . 2 . . . . . 2 PRO HD2 . 51618 1
25 . 1 . 1 2 2 PRO HD3 H 1 3.485 0.01 . 2 . . . . . 2 PRO HD3 . 51618 1
26 . 1 . 1 2 2 PRO C C 13 176.474 0.02 . 1 . . . . . 2 PRO C . 51618 1
27 . 1 . 1 2 2 PRO CA C 13 62.965 0.01 . 1 . . . . . 2 PRO CA . 51618 1
28 . 1 . 1 2 2 PRO CB C 13 32.211 0.01 . 1 . . . . . 2 PRO CB . 51618 1
29 . 1 . 1 2 2 PRO CG C 13 26.843 0.01 . 1 . . . . . 2 PRO CG . 51618 1
30 . 1 . 1 2 2 PRO CD C 13 50.574 0.01 . 1 . . . . . 2 PRO CD . 51618 1
31 . 1 . 1 3 3 ARG H H 1 8.540 0.00 . 1 . . . . . 3 ARG H . 51618 1
32 . 1 . 1 3 3 ARG HA H 1 4.594 0.01 . 1 . . . . . 3 ARG HA . 51618 1
33 . 1 . 1 3 3 ARG HB2 H 1 1.723 0.01 . 2 . . . . . 3 ARG HB2 . 51618 1
34 . 1 . 1 3 3 ARG HB3 H 1 1.836 0.01 . 2 . . . . . 3 ARG HB3 . 51618 1
35 . 1 . 1 3 3 ARG HG2 H 1 1.691 0.01 . 2 . . . . . 3 ARG HG . 51618 1
36 . 1 . 1 3 3 ARG HG3 H 1 1.691 0.01 . 2 . . . . . 3 ARG HG . 51618 1
37 . 1 . 1 3 3 ARG HD2 H 1 3.198 0.01 . 2 . . . . . 3 ARG HD . 51618 1
38 . 1 . 1 3 3 ARG HD3 H 1 3.198 0.01 . 2 . . . . . 3 ARG HD . 51618 1
39 . 1 . 1 3 3 ARG HE H 1 7.221 0.00 . 1 . . . . . 3 ARG HE . 51618 1
40 . 1 . 1 3 3 ARG C C 13 174.482 0.01 . 1 . . . . . 3 ARG C . 51618 1
41 . 1 . 1 3 3 ARG CA C 13 54.142 0.01 . 1 . . . . . 3 ARG CA . 51618 1
42 . 1 . 1 3 3 ARG CB C 13 30.265 0.01 . 1 . . . . . 3 ARG CB . 51618 1
43 . 1 . 1 3 3 ARG CG C 13 26.880 0.02 . 1 . . . . . 3 ARG CG . 51618 1
44 . 1 . 1 3 3 ARG CD C 13 43.471 0.01 . 1 . . . . . 3 ARG CD . 51618 1
45 . 1 . 1 3 3 ARG CZ C 13 159.685 0.00 . 1 . . . . . 3 ARG CZ . 51618 1
46 . 1 . 1 3 3 ARG N N 15 122.756 0.00 . 1 . . . . . 3 ARG N . 51618 1
47 . 1 . 1 4 4 PRO HA H 1 4.424 0.01 . 1 . . . . . 4 PRO HA . 51618 1
48 . 1 . 1 4 4 PRO HB2 H 1 1.927 0.00 . 2 . . . . . 4 PRO HB2 . 51618 1
49 . 1 . 1 4 4 PRO HB3 H 1 2.293 0.01 . 2 . . . . . 4 PRO HB3 . 51618 1
50 . 1 . 1 4 4 PRO HG2 H 1 2.046 0.00 . 2 . . . . . 4 PRO HG . 51618 1
51 . 1 . 1 4 4 PRO HG3 H 1 2.046 0.00 . 2 . . . . . 4 PRO HG . 51618 1
52 . 1 . 1 4 4 PRO HD2 H 1 3.626 0.00 . 2 . . . . . 4 PRO HD2 . 51618 1
53 . 1 . 1 4 4 PRO HD3 H 1 3.821 0.00 . 2 . . . . . 4 PRO HD3 . 51618 1
54 . 1 . 1 4 4 PRO C C 13 177.637 0.02 . 1 . . . . . 4 PRO C . 51618 1
55 . 1 . 1 4 4 PRO CA C 13 63.533 0.00 . 1 . . . . . 4 PRO CA . 51618 1
56 . 1 . 1 4 4 PRO CB C 13 32.033 0.02 . 1 . . . . . 4 PRO CB . 51618 1
57 . 1 . 1 4 4 PRO CG C 13 27.530 0.00 . 1 . . . . . 4 PRO CG . 51618 1
58 . 1 . 1 4 4 PRO CD C 13 50.738 0.00 . 1 . . . . . 4 PRO CD . 51618 1
59 . 1 . 1 5 5 GLY H H 1 8.579 0.00 . 1 . . . . . 5 GLY H . 51618 1
60 . 1 . 1 5 5 GLY HA2 H 1 3.948 0.01 . 2 . . . . . 5 GLY HA2 . 51618 1
61 . 1 . 1 5 5 GLY HA3 H 1 4.021 0.00 . 2 . . . . . 5 GLY HA3 . 51618 1
62 . 1 . 1 5 5 GLY C C 13 174.929 0.02 . 1 . . . . . 5 GLY C . 51618 1
63 . 1 . 1 5 5 GLY CA C 13 45.429 0.00 . 1 . . . . . 5 GLY CA . 51618 1
64 . 1 . 1 5 5 GLY N N 15 110.110 0.00 . 1 . . . . . 5 GLY N . 51618 1
65 . 1 . 1 6 6 GLY H H 1 8.314 0.00 . 1 . . . . . 6 GLY H . 51618 1
66 . 1 . 1 6 6 GLY HA2 H 1 3.997 0.01 . 2 . . . . . 6 GLY HA2 . 51618 1
67 . 1 . 1 6 6 GLY HA3 H 1 4.016 0.00 . 2 . . . . . 6 GLY HA3 . 51618 1
68 . 1 . 1 6 6 GLY C C 13 174.866 0.01 . 1 . . . . . 6 GLY C . 51618 1
69 . 1 . 1 6 6 GLY CA C 13 45.387 0.00 . 1 . . . . . 6 GLY CA . 51618 1
70 . 1 . 1 6 6 GLY N N 15 108.767 0.00 . 1 . . . . . 6 GLY N . 51618 1
71 . 1 . 1 7 7 GLY H H 1 8.419 0.00 . 1 . . . . . 7 GLY H . 51618 1
72 . 1 . 1 7 7 GLY HA2 H 1 3.989 0.00 . 2 . . . . . 7 GLY HA2 . 51618 1
73 . 1 . 1 7 7 GLY HA3 H 1 4.006 0.01 . 2 . . . . . 7 GLY HA3 . 51618 1
74 . 1 . 1 7 7 GLY C C 13 174.856 0.01 . 1 . . . . . 7 GLY C . 51618 1
75 . 1 . 1 7 7 GLY CA C 13 45.377 0.00 . 1 . . . . . 7 GLY CA . 51618 1
76 . 1 . 1 7 7 GLY N N 15 108.884 0.01 . 1 . . . . . 7 GLY N . 51618 1
77 . 1 . 1 8 8 GLY H H 1 8.388 0.00 . 1 . . . . . 8 GLY H . 51618 1
78 . 1 . 1 8 8 GLY HA2 H 1 3.988 0.01 . 2 . . . . . 8 GLY HA2 . 51618 1
79 . 1 . 1 8 8 GLY HA3 H 1 4.017 0.00 . 2 . . . . . 8 GLY HA3 . 51618 1
80 . 1 . 1 8 8 GLY C C 13 174.183 0.01 . 1 . . . . . 8 GLY C . 51618 1
81 . 1 . 1 8 8 GLY CA C 13 45.361 0.00 . 1 . . . . . 8 GLY CA . 51618 1
82 . 1 . 1 8 8 GLY N N 15 108.857 0.03 . 1 . . . . . 8 GLY N . 51618 1
83 . 1 . 1 9 9 ASN H H 1 8.444 0.00 . 1 . . . . . 9 ASN H . 51618 1
84 . 1 . 1 9 9 ASN HA H 1 4.758 0.00 . 1 . . . . . 9 ASN HA . 51618 1
85 . 1 . 1 9 9 ASN HB2 H 1 2.778 0.01 . 2 . . . . . 9 ASN HB2 . 51618 1
86 . 1 . 1 9 9 ASN HB3 H 1 2.857 0.00 . 2 . . . . . 9 ASN HB3 . 51618 1
87 . 1 . 1 9 9 ASN HD21 H 1 6.913 0.00 . 1 . . . . . 9 ASN HD21 . 51618 1
88 . 1 . 1 9 9 ASN HD22 H 1 7.610 0.00 . 1 . . . . . 9 ASN HD22 . 51618 1
89 . 1 . 1 9 9 ASN C C 13 175.906 0.02 . 1 . . . . . 9 ASN C . 51618 1
90 . 1 . 1 9 9 ASN CA C 13 53.383 0.00 . 1 . . . . . 9 ASN CA . 51618 1
91 . 1 . 1 9 9 ASN CB C 13 39.117 0.01 . 1 . . . . . 9 ASN CB . 51618 1
92 . 1 . 1 9 9 ASN CG C 13 177.303 0.02 . 1 . . . . . 9 ASN CG . 51618 1
93 . 1 . 1 9 9 ASN N N 15 118.671 0.01 . 1 . . . . . 9 ASN N . 51618 1
94 . 1 . 1 9 9 ASN ND2 N 15 112.861 0.00 . 1 . . . . . 9 ASN ND2 . 51618 1
95 . 1 . 1 10 10 GLY H H 1 8.428 0.00 . 1 . . . . . 10 GLY H . 51618 1
96 . 1 . 1 10 10 GLY HA2 H 1 3.882 0.01 . 2 . . . . . 10 GLY HA2 . 51618 1
97 . 1 . 1 10 10 GLY HA3 H 1 3.935 0.01 . 2 . . . . . 10 GLY HA3 . 51618 1
98 . 1 . 1 10 10 GLY C C 13 173.822 0.01 . 1 . . . . . 10 GLY C . 51618 1
99 . 1 . 1 10 10 GLY CA C 13 45.559 0.01 . 1 . . . . . 10 GLY CA . 51618 1
100 . 1 . 1 10 10 GLY N N 15 109.383 0.01 . 1 . . . . . 10 GLY N . 51618 1
101 . 1 . 1 11 11 ASP H H 1 8.160 0.00 . 1 . . . . . 11 ASP H . 51618 1
102 . 1 . 1 11 11 ASP HA H 1 4.599 0.01 . 1 . . . . . 11 ASP HA . 51618 1
103 . 1 . 1 11 11 ASP HB2 H 1 2.577 0.01 . 2 . . . . . 11 ASP HB2 . 51618 1
104 . 1 . 1 11 11 ASP HB3 H 1 2.674 0.00 . 2 . . . . . 11 ASP HB3 . 51618 1
105 . 1 . 1 11 11 ASP C C 13 175.705 0.01 . 1 . . . . . 11 ASP C . 51618 1
106 . 1 . 1 11 11 ASP CA C 13 53.990 0.00 . 1 . . . . . 11 ASP CA . 51618 1
107 . 1 . 1 11 11 ASP CB C 13 40.289 0.01 . 1 . . . . . 11 ASP CB . 51618 1
108 . 1 . 1 11 11 ASP CG C 13 179.265 0.02 . 1 . . . . . 11 ASP CG . 51618 1
109 . 1 . 1 11 11 ASP N N 15 119.951 0.01 . 1 . . . . . 11 ASP N . 51618 1
110 . 1 . 1 12 12 PHE H H 1 8.172 0.00 . 1 . . . . . 12 PHE H . 51618 1
111 . 1 . 1 12 12 PHE HA H 1 4.605 0.00 . 1 . . . . . 12 PHE HA . 51618 1
112 . 1 . 1 12 12 PHE HB2 H 1 3.031 0.00 . 2 . . . . . 12 PHE HB2 . 51618 1
113 . 1 . 1 12 12 PHE HB3 H 1 3.152 0.00 . 2 . . . . . 12 PHE HB3 . 51618 1
114 . 1 . 1 12 12 PHE HD1 H 1 7.241 0.00 . 3 . . . . . 12 PHE HD . 51618 1
115 . 1 . 1 12 12 PHE HD2 H 1 7.241 0.00 . 3 . . . . . 12 PHE HD . 51618 1
116 . 1 . 1 12 12 PHE HE1 H 1 7.352 0.00 . 3 . . . . . 12 PHE HE . 51618 1
117 . 1 . 1 12 12 PHE HE2 H 1 7.352 0.00 . 3 . . . . . 12 PHE HE . 51618 1
118 . 1 . 1 12 12 PHE HZ H 1 7.304 0.00 . 1 . . . . . 12 PHE HZ . 51618 1
119 . 1 . 1 12 12 PHE C C 13 175.559 0.01 . 1 . . . . . 12 PHE C . 51618 1
120 . 1 . 1 12 12 PHE CA C 13 57.880 0.01 . 1 . . . . . 12 PHE CA . 51618 1
121 . 1 . 1 12 12 PHE CB C 13 39.538 0.01 . 1 . . . . . 12 PHE CB . 51618 1
122 . 1 . 1 12 12 PHE CG C 13 139.019 0.01 . 1 . . . . . 12 PHE CG . 51618 1
123 . 1 . 1 12 12 PHE CD1 C 13 131.977 0.01 . 3 . . . . . 12 PHE CD . 51618 1
124 . 1 . 1 12 12 PHE CD2 C 13 131.977 0.01 . 3 . . . . . 12 PHE CD . 51618 1
125 . 1 . 1 12 12 PHE CE1 C 13 131.517 0.00 . 3 . . . . . 12 PHE CE . 51618 1
126 . 1 . 1 12 12 PHE CE2 C 13 131.517 0.00 . 3 . . . . . 12 PHE CE . 51618 1
127 . 1 . 1 12 12 PHE CZ C 13 129.928 0.00 . 1 . . . . . 12 PHE CZ . 51618 1
128 . 1 . 1 12 12 PHE N N 15 120.321 0.02 . 1 . . . . . 12 PHE N . 51618 1
129 . 1 . 1 13 13 GLU H H 1 8.177 0.00 . 1 . . . . . 13 GLU H . 51618 1
130 . 1 . 1 13 13 GLU HA H 1 4.286 0.01 . 1 . . . . . 13 GLU HA . 51618 1
131 . 1 . 1 13 13 GLU HB2 H 1 1.906 0.02 . 2 . . . . . 13 GLU HB2 . 51618 1
132 . 1 . 1 13 13 GLU HB3 H 1 2.032 0.01 . 2 . . . . . 13 GLU HB3 . 51618 1
133 . 1 . 1 13 13 GLU HG2 H 1 2.289 0.00 . 2 . . . . . 13 GLU HG . 51618 1
134 . 1 . 1 13 13 GLU HG3 H 1 2.289 0.00 . 2 . . . . . 13 GLU HG . 51618 1
135 . 1 . 1 13 13 GLU C C 13 175.678 0.01 . 1 . . . . . 13 GLU C . 51618 1
136 . 1 . 1 13 13 GLU CA C 13 56.017 0.00 . 1 . . . . . 13 GLU CA . 51618 1
137 . 1 . 1 13 13 GLU CB C 13 29.803 0.01 . 1 . . . . . 13 GLU CB . 51618 1
138 . 1 . 1 13 13 GLU CG C 13 34.381 0.00 . 1 . . . . . 13 GLU CG . 51618 1
139 . 1 . 1 13 13 GLU N N 15 121.892 0.01 . 1 . . . . . 13 GLU N . 51618 1
140 . 1 . 1 14 14 GLU H H 1 8.290 0.00 . 1 . . . . . 14 GLU H . 51618 1
141 . 1 . 1 14 14 GLU HA H 1 4.301 0.00 . 1 . . . . . 14 GLU HA . 51618 1
142 . 1 . 1 14 14 GLU HB2 H 1 1.935 0.01 . 2 . . . . . 14 GLU HB . 51618 1
143 . 1 . 1 14 14 GLU HB3 H 1 1.935 0.01 . 2 . . . . . 14 GLU HB . 51618 1
144 . 1 . 1 14 14 GLU HG2 H 1 2.327 0.00 . 2 . . . . . 14 GLU HG . 51618 1
145 . 1 . 1 14 14 GLU HG3 H 1 2.327 0.00 . 2 . . . . . 14 GLU HG . 51618 1
146 . 1 . 1 14 14 GLU C C 13 175.812 0.01 . 1 . . . . . 14 GLU C . 51618 1
147 . 1 . 1 14 14 GLU CA C 13 56.062 0.00 . 1 . . . . . 14 GLU CA . 51618 1
148 . 1 . 1 14 14 GLU CB C 13 29.604 0.01 . 1 . . . . . 14 GLU CB . 51618 1
149 . 1 . 1 14 14 GLU CG C 13 34.474 0.00 . 1 . . . . . 14 GLU CG . 51618 1
150 . 1 . 1 14 14 GLU N N 15 121.758 0.02 . 1 . . . . . 14 GLU N . 51618 1
151 . 1 . 1 15 15 ILE H H 1 8.210 0.00 . 1 . . . . . 15 ILE H . 51618 1
152 . 1 . 1 15 15 ILE HA H 1 4.445 0.00 . 1 . . . . . 15 ILE HA . 51618 1
153 . 1 . 1 15 15 ILE HB H 1 1.878 0.00 . 1 . . . . . 15 ILE HB . 51618 1
154 . 1 . 1 15 15 ILE HG12 H 1 1.168 0.00 . 2 . . . . . 15 ILE HG12 . 51618 1
155 . 1 . 1 15 15 ILE HG13 H 1 1.509 0.01 . 2 . . . . . 15 ILE HG13 . 51618 1
156 . 1 . 1 15 15 ILE HG21 H 1 0.950 0.00 . 1 . . . . . 15 ILE HG2 . 51618 1
157 . 1 . 1 15 15 ILE HG22 H 1 0.950 0.00 . 1 . . . . . 15 ILE HG2 . 51618 1
158 . 1 . 1 15 15 ILE HG23 H 1 0.950 0.00 . 1 . . . . . 15 ILE HG2 . 51618 1
159 . 1 . 1 15 15 ILE HD11 H 1 0.862 0.01 . 1 . . . . . 15 ILE HD1 . 51618 1
160 . 1 . 1 15 15 ILE HD12 H 1 0.862 0.01 . 1 . . . . . 15 ILE HD1 . 51618 1
161 . 1 . 1 15 15 ILE HD13 H 1 0.862 0.01 . 1 . . . . . 15 ILE HD1 . 51618 1
162 . 1 . 1 15 15 ILE C C 13 175.592 0.00 . 1 . . . . . 15 ILE C . 51618 1
163 . 1 . 1 15 15 ILE CA C 13 58.780 0.01 . 1 . . . . . 15 ILE CA . 51618 1
164 . 1 . 1 15 15 ILE CB C 13 38.739 0.01 . 1 . . . . . 15 ILE CB . 51618 1
165 . 1 . 1 15 15 ILE CG1 C 13 27.028 0.01 . 1 . . . . . 15 ILE CG1 . 51618 1
166 . 1 . 1 15 15 ILE CG2 C 13 17.237 0.02 . 1 . . . . . 15 ILE CG2 . 51618 1
167 . 1 . 1 15 15 ILE CD1 C 13 12.779 0.01 . 1 . . . . . 15 ILE CD1 . 51618 1
168 . 1 . 1 15 15 ILE N N 15 123.953 0.01 . 1 . . . . . 15 ILE N . 51618 1
169 . 1 . 1 16 16 PRO HA H 1 4.377 0.01 . 1 . . . . . 16 PRO HA . 51618 1
170 . 1 . 1 16 16 PRO HB2 H 1 1.872 0.00 . 2 . . . . . 16 PRO HB2 . 51618 1
171 . 1 . 1 16 16 PRO HB3 H 1 2.298 0.01 . 2 . . . . . 16 PRO HB3 . 51618 1
172 . 1 . 1 16 16 PRO HG2 H 1 1.975 0.01 . 2 . . . . . 16 PRO HG . 51618 1
173 . 1 . 1 16 16 PRO HG3 H 1 1.975 0.01 . 2 . . . . . 16 PRO HG . 51618 1
174 . 1 . 1 16 16 PRO HD2 H 1 3.661 0.00 . 2 . . . . . 16 PRO HD2 . 51618 1
175 . 1 . 1 16 16 PRO HD3 H 1 3.879 0.00 . 2 . . . . . 16 PRO HD3 . 51618 1
176 . 1 . 1 16 16 PRO C C 13 176.974 0.01 . 1 . . . . . 16 PRO C . 51618 1
177 . 1 . 1 16 16 PRO CA C 13 63.429 0.01 . 1 . . . . . 16 PRO CA . 51618 1
178 . 1 . 1 16 16 PRO CB C 13 32.208 0.01 . 1 . . . . . 16 PRO CB . 51618 1
179 . 1 . 1 16 16 PRO CG C 13 27.562 0.01 . 1 . . . . . 16 PRO CG . 51618 1
180 . 1 . 1 16 16 PRO CD C 13 51.120 0.01 . 1 . . . . . 16 PRO CD . 51618 1
181 . 1 . 1 17 17 GLU H H 1 8.411 0.00 . 1 . . . . . 17 GLU H . 51618 1
182 . 1 . 1 17 17 GLU HA H 1 4.175 0.01 . 1 . . . . . 17 GLU HA . 51618 1
183 . 1 . 1 17 17 GLU HB2 H 1 1.958 0.00 . 2 . . . . . 17 GLU HB . 51618 1
184 . 1 . 1 17 17 GLU HB3 H 1 1.958 0.00 . 2 . . . . . 17 GLU HB . 51618 1
185 . 1 . 1 17 17 GLU HG2 H 1 2.368 0.01 . 2 . . . . . 17 GLU HG . 51618 1
186 . 1 . 1 17 17 GLU HG3 H 1 2.368 0.01 . 2 . . . . . 17 GLU HG . 51618 1
187 . 1 . 1 17 17 GLU C C 13 176.285 0.01 . 1 . . . . . 17 GLU C . 51618 1
188 . 1 . 1 17 17 GLU CA C 13 56.823 0.00 . 1 . . . . . 17 GLU CA . 51618 1
189 . 1 . 1 17 17 GLU CB C 13 29.371 0.01 . 1 . . . . . 17 GLU CB . 51618 1
190 . 1 . 1 17 17 GLU CG C 13 34.445 0.01 . 1 . . . . . 17 GLU CG . 51618 1
191 . 1 . 1 17 17 GLU N N 15 120.635 0.00 . 1 . . . . . 17 GLU N . 51618 1
192 . 1 . 1 18 18 GLU H H 1 8.316 0.00 . 1 . . . . . 18 GLU H . 51618 1
193 . 1 . 1 18 18 GLU HA H 1 4.246 0.01 . 1 . . . . . 18 GLU HA . 51618 1
194 . 1 . 1 18 18 GLU HB2 H 1 1.885 0.00 . 2 . . . . . 18 GLU HB2 . 51618 1
195 . 1 . 1 18 18 GLU HB3 H 1 2.029 0.00 . 2 . . . . . 18 GLU HB3 . 51618 1
196 . 1 . 1 18 18 GLU HG2 H 1 2.189 0.01 . 2 . . . . . 18 GLU HG . 51618 1
197 . 1 . 1 18 18 GLU HG3 H 1 2.189 0.01 . 2 . . . . . 18 GLU HG . 51618 1
198 . 1 . 1 18 18 GLU C C 13 175.659 0.00 . 1 . . . . . 18 GLU C . 51618 1
199 . 1 . 1 18 18 GLU CA C 13 56.305 0.01 . 1 . . . . . 18 GLU CA . 51618 1
200 . 1 . 1 18 18 GLU CB C 13 29.618 0.01 . 1 . . . . . 18 GLU CB . 51618 1
201 . 1 . 1 18 18 GLU CG C 13 34.204 0.01 . 1 . . . . . 18 GLU CG . 51618 1
202 . 1 . 1 18 18 GLU N N 15 120.335 0.00 . 1 . . . . . 18 GLU N . 51618 1
203 . 1 . 1 19 19 TYR H H 1 8.148 0.00 . 1 . . . . . 19 TYR H . 51618 1
204 . 1 . 1 19 19 TYR HA H 1 4.638 0.01 . 1 . . . . . 19 TYR HA . 51618 1
205 . 1 . 1 19 19 TYR HB2 H 1 2.906 0.08 . 2 . . . . . 19 TYR HB2 . 51618 1
206 . 1 . 1 19 19 TYR HB3 H 1 3.156 0.01 . 2 . . . . . 19 TYR HB3 . 51618 1
207 . 1 . 1 19 19 TYR HD1 H 1 7.124 0.00 . 3 . . . . . 19 TYR HD1 . 51618 1
208 . 1 . 1 19 19 TYR HD2 H 1 7.550 0.01 . 3 . . . . . 19 TYR HD2 . 51618 1
209 . 1 . 1 19 19 TYR HE1 H 1 6.817 0.01 . 3 . . . . . 19 TYR HE1 . 51618 1
210 . 1 . 1 19 19 TYR HE2 H 1 7.698 0.01 . 3 . . . . . 19 TYR HE2 . 51618 1
211 . 1 . 1 19 19 TYR C C 13 174.877 0.01 . 1 . . . . . 19 TYR C . 51618 1
212 . 1 . 1 19 19 TYR CA C 13 57.583 0.01 . 1 . . . . . 19 TYR CA . 51618 1
213 . 1 . 1 19 19 TYR CB C 13 38.638 0.00 . 1 . . . . . 19 TYR CB . 51618 1
214 . 1 . 1 19 19 TYR CG C 13 137.437 0.01 . 1 . . . . . 19 TYR CG . 51618 1
215 . 1 . 1 19 19 TYR CD1 C 13 133.201 0.01 . 3 . . . . . 19 TYR CD1 . 51618 1
216 . 1 . 1 19 19 TYR CD2 C 13 133.173 0.03 . 3 . . . . . 19 TYR CD2 . 51618 1
217 . 1 . 1 19 19 TYR CE1 C 13 118.306 0.01 . 3 . . . . . 19 TYR CE1 . 51618 1
218 . 1 . 1 19 19 TYR CE2 C 13 131.224 0.09 . 3 . . . . . 19 TYR CE2 . 51618 1
219 . 1 . 1 19 19 TYR CZ C 13 157.151 0.01 . 1 . . . . . 19 TYR CZ . 51618 1
220 . 1 . 1 19 19 TYR N N 15 120.789 0.02 . 1 . . . . . 19 TYR N . 51618 1
221 . 1 . 1 20 20 LEU H H 1 7.754 0.00 . 1 . . . . . 20 LEU H . 51618 1
222 . 1 . 1 20 20 LEU HA H 1 4.225 0.01 . 1 . . . . . 20 LEU HA . 51618 1
223 . 1 . 1 20 20 LEU HB2 H 1 1.591 0.01 . 2 . . . . . 20 LEU HB . 51618 1
224 . 1 . 1 20 20 LEU HB3 H 1 1.591 0.01 . 2 . . . . . 20 LEU HB . 51618 1
225 . 1 . 1 20 20 LEU HG H 1 1.556 0.01 . 1 . . . . . 20 LEU HG . 51618 1
226 . 1 . 1 20 20 LEU HD11 H 1 0.904 0.00 . 2 . . . . . 20 LEU HD1 . 51618 1
227 . 1 . 1 20 20 LEU HD12 H 1 0.904 0.00 . 2 . . . . . 20 LEU HD1 . 51618 1
228 . 1 . 1 20 20 LEU HD13 H 1 0.904 0.00 . 2 . . . . . 20 LEU HD1 . 51618 1
229 . 1 . 1 20 20 LEU HD21 H 1 0.865 0.00 . 2 . . . . . 20 LEU HD2 . 51618 1
230 . 1 . 1 20 20 LEU HD22 H 1 0.865 0.00 . 2 . . . . . 20 LEU HD2 . 51618 1
231 . 1 . 1 20 20 LEU HD23 H 1 0.865 0.00 . 2 . . . . . 20 LEU HD2 . 51618 1
232 . 1 . 1 20 20 LEU C C 13 181.762 0.00 . 1 . . . . . 20 LEU C . 51618 1
233 . 1 . 1 20 20 LEU CA C 13 56.385 0.01 . 1 . . . . . 20 LEU CA . 51618 1
234 . 1 . 1 20 20 LEU CB C 13 43.351 0.00 . 1 . . . . . 20 LEU CB . 51618 1
235 . 1 . 1 20 20 LEU CG C 13 27.181 0.02 . 1 . . . . . 20 LEU CG . 51618 1
236 . 1 . 1 20 20 LEU CD1 C 13 25.312 0.01 . 1 . . . . . 20 LEU CD1 . 51618 1
237 . 1 . 1 20 20 LEU CD2 C 13 23.531 0.00 . 1 . . . . . 20 LEU CD2 . 51618 1
238 . 1 . 1 20 20 LEU N N 15 128.085 0.00 . 1 . . . . . 20 LEU N . 51618 1
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