Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 31080
_Assigned_chem_shift_list.ID 2
_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 [15N,1H] HSQC' . . . 31080 2
2 '2D 1H-15N HSQC NH2' . . . 31080 2
3 '3D HNCO' . . . 31080 2
4 '3D HNCACB' . . . 31080 2
5 '3D C(CO)NH' . . . 31080 2
6 '3D CBCA(CO)NH' . . . 31080 2
7 '3D HNCACO' . . . 31080 2
8 '3D HNHA' . . . 31080 2
9 '3D HNHB' . . . 31080 2
10 '3D H(CCO)NH' . . . 31080 2
11 '3D 15N-EDITED NOESY- HSQC' . . . 31080 2
12 '3D [F1] 13C,15N-FILTERED NOESY-15N-HSQC' . . . 31080 2
13 '3D [F1] 13C,15N-FILTERED NOESY-13C-HSQC' . . . 31080 2
14 '3D 13C-EDITED NOESY- HSQC' . . . 31080 2
15 '3D 13Caro-EDITED NOESY- HSQC' . . . 31080 2
16 '2D CT [13C, 1H] HSQC' . . . 31080 2
17 '2D CT 1H-13C AROMATIC HSQC' . . . 31080 2
18 '3D HCCH-TOCSY' . . . 31080 2
19 '3D HCCH-COSY' . . . 31080 2
20 '2D (HB)CB(CGCDCE)HE' . . . 31080 2
21 '2D (HB)CB(CGCD)HD' . . . 31080 2
22 '2D [F1] 13C, 15N- FILTERED NOESY' . . . 31080 2
23 '2D [F2] 13C,15N- FILTERED NOESY' . . . 31080 2
24 '2D [F1,F2] 13C,15N-FILTERED NOESY' . . . 31080 2
25 '2D [F1,F2] 13C,15N-FILTERED TOCSY' . . . 31080 2
26 '3D [F1] 13C,15N-FILTERED NOESY-15N-HSQC' . . . 31080 2
27 '3D [F1] 13C, 15N-FILTERED NOESY- 13Caro-HSQC' . . . 31080 2
28 '2D [F1] 13C,15N- FILTERED NOESY' . . . 31080 2
29 '2D [F2] 13C,15N- FILTERED NOESY' . . . 31080 2
30 '2D [F1,F2] 13C,15N-FILTERED NOESY' . . . 31080 2
31 '2D [F1,F2] 13C,15N-FILTERED TOCSY' . . . 31080 2
32 '3D [F1] 13C,15N-FILTERED NOESY-15N-HSQC' . . . 31080 2
33 '3D [F1] 13C, 15N-FILTERED NOESY- 13Caro-HSQC' . . . 31080 2
34 '3D [F1] 13C, 15N-FILTERED NOESY- 13Cali-HSQC' . . . 31080 2
35 '2D [15N,1H] HSQC' . . . 31080 2
36 '2D CT [13C, 1H] HSQC' . . . 31080 2
37 '3D HNCACB' . . . 31080 2
38 '3D [F1] 13C,15N-FILTERED NOESY-15N-HSQC' . . . 31080 2
39 '3D [F1] 13C,15N-FILTERED NOESY-13C-HSQC' . . . 31080 2
40 '2D [15N,1H] HSQC' . . . 31080 2
41 '2D CT [13C, 1H] HSQC' . . . 31080 2
42 '3D [F1] 13C,15N-FILTERED NOESY-15N-HSQC' . . . 31080 2
43 '3D [F1] 13C,15N-FILTERED NOESY-13C-HSQC' . . . 31080 2
44 '2D [F1] 13C, 15N- FILTERED NOESY' . . . 31080 2
45 '2D [F2] 13C, 15N- FILTERED NOESY' . . . 31080 2
46 '2D [F1,F2] 13C,15N-FILTERED NOESY' . . . 31080 2
47 '2D [F1,F2] 13C,15N-FILTERED TOCSY' . . . 31080 2
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 . 2 . 2 3 3 LEU H H 1 7.59 0 . 1 . . . . B 640 LEU H . 31080 2
2 . 2 . 2 3 3 LEU HA H 1 4.283 0.001 . 1 . . . . B 640 LEU HA . 31080 2
3 . 2 . 2 3 3 LEU HB3 H 1 1.451 0 . 1 . . . . B 640 LEU HB3 . 31080 2
4 . 2 . 2 3 3 LEU HG H 1 1.445 0.001 . 1 . . . . B 640 LEU HG . 31080 2
5 . 2 . 2 3 3 LEU HD11 H 1 0.694 0 . 2 . . . . B 640 LEU HD11 . 31080 2
6 . 2 . 2 3 3 LEU HD12 H 1 0.694 0 . 2 . . . . B 640 LEU HD12 . 31080 2
7 . 2 . 2 3 3 LEU HD13 H 1 0.694 0 . 2 . . . . B 640 LEU HD13 . 31080 2
8 . 2 . 2 3 3 LEU HD21 H 1 0.734 0 . 2 . . . . B 640 LEU HD21 . 31080 2
9 . 2 . 2 3 3 LEU HD22 H 1 0.734 0 . 2 . . . . B 640 LEU HD22 . 31080 2
10 . 2 . 2 3 3 LEU HD23 H 1 0.734 0 . 2 . . . . B 640 LEU HD23 . 31080 2
11 . 2 . 2 4 4 TPO H H 1 8.326 0.001 . 1 . . . . B 641 TPO H . 31080 2
12 . 2 . 2 4 4 TPO HG21 H 1 1.66 0 . 1 . . . . B 641 TPO HG21 . 31080 2
13 . 2 . 2 4 4 TPO HG22 H 1 1.66 0 . 1 . . . . B 641 TPO HG22 . 31080 2
14 . 2 . 2 4 4 TPO HG23 H 1 1.66 0 . 1 . . . . B 641 TPO HG23 . 31080 2
15 . 2 . 2 5 5 PRO HA H 1 4.341 0.003 . 1 . . . . B 642 PRO HA . 31080 2
16 . 2 . 2 5 5 PRO HB2 H 1 1.966 0.001 . 2 . . . . B 642 PRO HB2 . 31080 2
17 . 2 . 2 5 5 PRO HB3 H 1 1.091 0 . 2 . . . . B 642 PRO HB3 . 31080 2
18 . 2 . 2 5 5 PRO HG2 H 1 0.921 0.003 . 2 . . . . B 642 PRO HG2 . 31080 2
19 . 2 . 2 5 5 PRO HG3 H 1 0.148 0 . 2 . . . . B 642 PRO HG3 . 31080 2
20 . 2 . 2 5 5 PRO HD2 H 1 3.53 0 . 2 . . . . B 642 PRO HD2 . 31080 2
21 . 2 . 2 5 5 PRO HD3 H 1 3.683 0 . 2 . . . . B 642 PRO HD3 . 31080 2
22 . 2 . 2 5 5 PRO CA C 13 61.302 0.037 . 1 . . . . B 642 PRO CA . 31080 2
23 . 2 . 2 5 5 PRO CB C 13 29.542 0.053 . 1 . . . . B 642 PRO CB . 31080 2
24 . 2 . 2 5 5 PRO CG C 13 26.034 0.087 . 1 . . . . B 642 PRO CG . 31080 2
25 . 2 . 2 5 5 PRO CD C 13 50.087 0.001 . 1 . . . . B 642 PRO CD . 31080 2
26 . 2 . 2 6 6 PRO HA H 1 4.194 0.77 . 1 . . . . B 643 PRO HA . 31080 2
27 . 2 . 2 6 6 PRO HB2 H 1 2.322 0.001 . 2 . . . . B 643 PRO HB2 . 31080 2
28 . 2 . 2 6 6 PRO HB3 H 1 1.937 0.002 . 2 . . . . B 643 PRO HB3 . 31080 2
29 . 2 . 2 6 6 PRO HG2 H 1 1.937 0.001 . 2 . . . . B 643 PRO HG2 . 31080 2
30 . 2 . 2 6 6 PRO HG3 H 1 2.219 0.677 . 2 . . . . B 643 PRO HG3 . 31080 2
31 . 2 . 2 6 6 PRO HD2 H 1 3.543 0.003 . 2 . . . . B 643 PRO HD2 . 31080 2
32 . 2 . 2 6 6 PRO HD3 H 1 3.713 0.002 . 2 . . . . B 643 PRO HD3 . 31080 2
33 . 2 . 2 6 6 PRO CA C 13 62.693 0.011 . 1 . . . . B 643 PRO CA . 31080 2
34 . 2 . 2 6 6 PRO CB C 13 32.175 0.032 . 1 . . . . B 643 PRO CB . 31080 2
35 . 2 . 2 6 6 PRO CG C 13 27.493 0.016 . 1 . . . . B 643 PRO CG . 31080 2
36 . 2 . 2 6 6 PRO CD C 13 50.074 0.022 . 1 . . . . B 643 PRO CD . 31080 2
37 . 2 . 2 7 7 ASP H H 1 8.684 0 . 1 . . . . B 644 ASP H . 31080 2
38 . 2 . 2 7 7 ASP HA H 1 4.673 0 . 1 . . . . B 644 ASP HA . 31080 2
39 . 2 . 2 7 7 ASP HB2 H 1 2.731 0 . 2 . . . . B 644 ASP HB2 . 31080 2
40 . 2 . 2 7 7 ASP HB3 H 1 2.666 0 . 2 . . . . B 644 ASP HB3 . 31080 2
41 . 2 . 2 8 8 GLN H H 1 8.307 0 . 1 . . . . B 645 GLN H . 31080 2
42 . 2 . 2 8 8 GLN HA H 1 4.364 0 . 1 . . . . B 645 GLN HA . 31080 2
43 . 2 . 2 8 8 GLN HB2 H 1 1.94 0 . 2 . . . . B 645 GLN HB2 . 31080 2
44 . 2 . 2 8 8 GLN HB3 H 1 2.102 0 . 2 . . . . B 645 GLN HB3 . 31080 2
45 . 2 . 2 8 8 GLN HG2 H 1 2.38 0 . 1 . . . . B 645 GLN HG2 . 31080 2
46 . 2 . 2 8 8 GLN HE21 H 1 7.6 0 . 1 . . . . B 645 GLN HE21 . 31080 2
47 . 2 . 2 8 8 GLN HE22 H 1 7.001 0 . 1 . . . . B 645 GLN HE22 . 31080 2
48 . 2 . 2 9 9 GLU H H 1 8.507 0 . 1 . . . . B 646 GLU H . 31080 2
49 . 2 . 2 9 9 GLU HA H 1 4.272 0 . 1 . . . . B 646 GLU HA . 31080 2
50 . 2 . 2 9 9 GLU HB2 H 1 1.932 0 . 2 . . . . B 646 GLU HB2 . 31080 2
51 . 2 . 2 9 9 GLU HB3 H 1 2.02 0 . 2 . . . . B 646 GLU HB3 . 31080 2
52 . 2 . 2 9 9 GLU HG2 H 1 2.216 0 . 2 . . . . B 646 GLU HG2 . 31080 2
53 . 2 . 2 9 9 GLU HG3 H 1 2.267 0 . 2 . . . . B 646 GLU HG3 . 31080 2
54 . 2 . 2 10 10 VAL H H 1 8.134 0 . 1 . . . . B 647 VAL H . 31080 2
55 . 2 . 2 10 10 VAL HA H 1 4.044 0.002 . 1 . . . . B 647 VAL HA . 31080 2
56 . 2 . 2 10 10 VAL HB H 1 2.019 0.002 . 1 . . . . B 647 VAL HB . 31080 2
57 . 2 . 2 10 10 VAL HG11 H 1 0.888 0.017 . 2 . . . . B 647 VAL HG11 . 31080 2
58 . 2 . 2 10 10 VAL HG12 H 1 0.888 0.017 . 2 . . . . B 647 VAL HG12 . 31080 2
59 . 2 . 2 10 10 VAL HG13 H 1 0.888 0.017 . 2 . . . . B 647 VAL HG13 . 31080 2
60 . 2 . 2 10 10 VAL HG21 H 1 0.86 0.01 . 2 . . . . B 647 VAL HG21 . 31080 2
61 . 2 . 2 10 10 VAL HG22 H 1 0.86 0.01 . 2 . . . . B 647 VAL HG22 . 31080 2
62 . 2 . 2 10 10 VAL HG23 H 1 0.86 0.01 . 2 . . . . B 647 VAL HG23 . 31080 2
63 . 2 . 2 10 10 VAL CA C 13 62.669 0.034 . 1 . . . . B 647 VAL CA . 31080 2
64 . 2 . 2 10 10 VAL CB C 13 32.682 0.01 . 1 . . . . B 647 VAL CB . 31080 2
65 . 2 . 2 10 10 VAL CG1 C 13 20.921 0.058 . 2 . . . . B 647 VAL CG1 . 31080 2
66 . 2 . 2 10 10 VAL CG2 C 13 21.026 0.048 . 2 . . . . B 647 VAL CG2 . 31080 2
67 . 2 . 2 10 10 VAL N N 15 121.396 0 . 1 . . . . B 647 VAL N . 31080 2
68 . 2 . 2 11 11 ILE H H 1 8.157 0.027 . 1 . . . . B 648 ILE H . 31080 2
69 . 2 . 2 11 11 ILE HA H 1 4.137 0.008 . 1 . . . . B 648 ILE HA . 31080 2
70 . 2 . 2 11 11 ILE HB H 1 1.847 0.001 . 1 . . . . B 648 ILE HB . 31080 2
71 . 2 . 2 11 11 ILE HG12 H 1 1.17 0.017 . 2 . . . . B 648 ILE HG12 . 31080 2
72 . 2 . 2 11 11 ILE HG13 H 1 1.44 0.031 . 2 . . . . B 648 ILE HG13 . 31080 2
73 . 2 . 2 11 11 ILE HG21 H 1 0.874 0.001 . 1 . . . . B 648 ILE HG21 . 31080 2
74 . 2 . 2 11 11 ILE HG22 H 1 0.874 0.001 . 1 . . . . B 648 ILE HG22 . 31080 2
75 . 2 . 2 11 11 ILE HG23 H 1 0.874 0.001 . 1 . . . . B 648 ILE HG23 . 31080 2
76 . 2 . 2 11 11 ILE HD11 H 1 0.819 0.009 . 1 . . . . B 648 ILE HD11 . 31080 2
77 . 2 . 2 11 11 ILE HD12 H 1 0.819 0.009 . 1 . . . . B 648 ILE HD12 . 31080 2
78 . 2 . 2 11 11 ILE HD13 H 1 0.819 0.009 . 1 . . . . B 648 ILE HD13 . 31080 2
79 . 2 . 2 11 11 ILE CA C 13 61.113 0.01 . 1 . . . . B 648 ILE CA . 31080 2
80 . 2 . 2 11 11 ILE CB C 13 38.347 0.009 . 1 . . . . B 648 ILE CB . 31080 2
81 . 2 . 2 11 11 ILE CG1 C 13 27.375 0.013 . 1 . . . . B 648 ILE CG1 . 31080 2
82 . 2 . 2 11 11 ILE CG2 C 13 17.419 0.013 . 1 . . . . B 648 ILE CG2 . 31080 2
83 . 2 . 2 11 11 ILE CD1 C 13 12.593 0.033 . 1 . . . . B 648 ILE CD1 . 31080 2
84 . 2 . 2 11 11 ILE N N 15 124.527 0 . 1 . . . . B 648 ILE N . 31080 2
85 . 2 . 2 12 12 ARG H H 1 8.396 0 . 1 . . . . B 649 ARG H . 31080 2
86 . 2 . 2 12 12 ARG HA H 1 4.343 0 . 1 . . . . B 649 ARG HA . 31080 2
87 . 2 . 2 12 12 ARG HB2 H 1 1.735 0 . 2 . . . . B 649 ARG HB2 . 31080 2
88 . 2 . 2 12 12 ARG HB3 H 1 1.805 0 . 2 . . . . B 649 ARG HB3 . 31080 2
89 . 2 . 2 12 12 ARG HG2 H 1 1.572 0 . 2 . . . . B 649 ARG HG2 . 31080 2
90 . 2 . 2 12 12 ARG HG3 H 1 1.625 0 . 2 . . . . B 649 ARG HG3 . 31080 2
91 . 2 . 2 12 12 ARG HD2 H 1 3.169 0 . 1 . . . . B 649 ARG HD2 . 31080 2
92 . 2 . 2 12 12 ARG HE H 1 7.256 0 . 1 . . . . B 649 ARG HE . 31080 2
93 . 2 . 2 13 13 ASN H H 1 8.487 0 . 1 . . . . B 650 ASN H . 31080 2
94 . 2 . 2 13 13 ASN HA H 1 4.728 0 . 1 . . . . B 650 ASN HA . 31080 2
95 . 2 . 2 13 13 ASN HB2 H 1 2.724 0 . 2 . . . . B 650 ASN HB2 . 31080 2
96 . 2 . 2 13 13 ASN HB3 H 1 2.808 0 . 2 . . . . B 650 ASN HB3 . 31080 2
97 . 2 . 2 13 13 ASN HD21 H 1 6.852 0 . 1 . . . . B 650 ASN HD21 . 31080 2
98 . 2 . 2 13 13 ASN HD22 H 1 7.53 0 . 1 . . . . B 650 ASN HD22 . 31080 2
99 . 2 . 2 14 14 ILE H H 1 8.149 0 . 1 . . . . B 651 ILE H . 31080 2
100 . 2 . 2 14 14 ILE HA H 1 4.183 0 . 1 . . . . B 651 ILE HA . 31080 2
101 . 2 . 2 14 14 ILE HB H 1 1.869 0 . 1 . . . . B 651 ILE HB . 31080 2
102 . 2 . 2 14 14 ILE HG12 H 1 1.141 0.003 . 1 . . . . B 651 ILE HG12 . 31080 2
103 . 2 . 2 14 14 ILE HG13 H 1 1.41 0.008 . 1 . . . . B 651 ILE HG13 . 31080 2
104 . 2 . 2 14 14 ILE HG21 H 1 0.86 0 . 1 . . . . B 651 ILE HG21 . 31080 2
105 . 2 . 2 14 14 ILE HG22 H 1 0.86 0 . 1 . . . . B 651 ILE HG22 . 31080 2
106 . 2 . 2 14 14 ILE HG23 H 1 0.86 0 . 1 . . . . B 651 ILE HG23 . 31080 2
107 . 2 . 2 14 14 ILE HD11 H 1 0.864 0 . 1 . . . . B 651 ILE HD11 . 31080 2
108 . 2 . 2 14 14 ILE HD12 H 1 0.864 0 . 1 . . . . B 651 ILE HD12 . 31080 2
109 . 2 . 2 14 14 ILE HD13 H 1 0.864 0 . 1 . . . . B 651 ILE HD13 . 31080 2
110 . 2 . 2 15 15 ASP H H 1 8.413 0.007 . 1 . . . . B 652 ASP H . 31080 2
111 . 2 . 2 15 15 ASP HA H 1 4.583 0 . 1 . . . . B 652 ASP HA . 31080 2
112 . 2 . 2 15 15 ASP HB2 H 1 2.612 0.002 . 1 . . . . B 652 ASP HB2 . 31080 2
113 . 2 . 2 15 15 ASP HB3 H 1 2.612 0.002 . 1 . . . . B 652 ASP HB3 . 31080 2
114 . 2 . 2 16 16 GLN H H 1 8.37 0.004 . 1 . . . . B 653 GLN H . 31080 2
115 . 2 . 2 16 16 GLN HA H 1 4.305 0.004 . 1 . . . . B 653 GLN HA . 31080 2
116 . 2 . 2 16 16 GLN HB2 H 1 1.969 0.003 . 1 . . . . B 653 GLN HB2 . 31080 2
117 . 2 . 2 16 16 GLN HB3 H 1 2.12 0.006 . 1 . . . . B 653 GLN HB3 . 31080 2
118 . 2 . 2 16 16 GLN HG2 H 1 2.027 0 . 1 . . . . B 653 GLN HG2 . 31080 2
119 . 2 . 2 16 16 GLN HG3 H 1 2.118 0 . 1 . . . . B 653 GLN HG3 . 31080 2
120 . 2 . 2 16 16 GLN HE21 H 1 7.535 0.003 . 1 . . . . B 653 GLN HE21 . 31080 2
121 . 2 . 2 16 16 GLN HE22 H 1 7.539 0 . 1 . . . . B 653 GLN HE22 . 31080 2
122 . 2 . 2 17 17 SER H H 1 8.426 0.003 . 1 . . . . B 654 SER H . 31080 2
123 . 2 . 2 17 17 SER HA H 1 4.337 0 . 1 . . . . B 654 SER HA . 31080 2
124 . 2 . 2 17 17 SER HB2 H 1 3.825 0.005 . 1 . . . . B 654 SER HB2 . 31080 2
125 . 2 . 2 17 17 SER HB3 H 1 3.83 0.015 . 1 . . . . B 654 SER HB3 . 31080 2
126 . 2 . 2 18 18 GLU H H 1 8.353 0.003 . 1 . . . . B 655 GLU H . 31080 2
127 . 2 . 2 18 18 GLU HA H 1 4.156 0.001 . 1 . . . . B 655 GLU HA . 31080 2
128 . 2 . 2 18 18 GLU HB2 H 1 1.846 0.005 . 1 . . . . B 655 GLU HB2 . 31080 2
129 . 2 . 2 18 18 GLU HB3 H 1 1.808 0.018 . 1 . . . . B 655 GLU HB3 . 31080 2
130 . 2 . 2 18 18 GLU HG2 H 1 1.841 0 . 1 . . . . B 655 GLU HG2 . 31080 2
131 . 2 . 2 18 18 GLU HG3 H 1 2.095 0.002 . 1 . . . . B 655 GLU HG3 . 31080 2
132 . 2 . 2 19 19 PHE H H 1 8.073 0.007 . 1 . . . . B 656 PHE H . 31080 2
133 . 2 . 2 19 19 PHE HA H 1 4.502 0.002 . 1 . . . . B 656 PHE HA . 31080 2
134 . 2 . 2 19 19 PHE HB2 H 1 2.95 0.05 . 2 . . . . B 656 PHE HB2 . 31080 2
135 . 2 . 2 19 19 PHE HB3 H 1 3.055 0.08 . 2 . . . . B 656 PHE HB3 . 31080 2
136 . 2 . 2 19 19 PHE HD1 H 1 7.168 0.001 . 1 . . . . B 656 PHE HD1 . 31080 2
137 . 2 . 2 19 19 PHE HD2 H 1 7.168 0.001 . 1 . . . . B 656 PHE HD2 . 31080 2
138 . 2 . 2 19 19 PHE HE1 H 1 7.237 0.003 . 1 . . . . B 656 PHE HE1 . 31080 2
139 . 2 . 2 19 19 PHE HE2 H 1 7.241 0.005 . 1 . . . . B 656 PHE HE2 . 31080 2
140 . 2 . 2 19 19 PHE CA C 13 57.74 0 . 1 . . . . B 656 PHE CA . 31080 2
141 . 2 . 2 19 19 PHE CB C 13 39.539 0.025 . 1 . . . . B 656 PHE CB . 31080 2
142 . 2 . 2 19 19 PHE CD1 C 13 131.734 0 . 1 . . . . B 656 PHE CD1 . 31080 2
143 . 2 . 2 19 19 PHE CD2 C 13 131.734 0 . 1 . . . . B 656 PHE CD2 . 31080 2
144 . 2 . 2 19 19 PHE CE1 C 13 131.546 0 . 1 . . . . B 656 PHE CE1 . 31080 2
145 . 2 . 2 19 19 PHE CE2 C 13 131.546 0 . 1 . . . . B 656 PHE CE2 . 31080 2
146 . 2 . 2 19 19 PHE N N 15 120.063 0 . 1 . . . . B 656 PHE N . 31080 2
147 . 2 . 2 20 20 GLU H H 1 8.087 0.004 . 1 . . . . B 657 GLU H . 31080 2
148 . 2 . 2 20 20 GLU HA H 1 4.126 0.011 . 1 . . . . B 657 GLU HA . 31080 2
149 . 2 . 2 20 20 GLU HB2 H 1 1.823 0.007 . 1 . . . . B 657 GLU HB2 . 31080 2
150 . 2 . 2 20 20 GLU HB3 H 1 1.912 0.002 . 1 . . . . B 657 GLU HB3 . 31080 2
151 . 2 . 2 20 20 GLU HG2 H 1 2.158 0.003 . 1 . . . . B 657 GLU HG2 . 31080 2
152 . 2 . 2 21 21 GLY H H 1 7.628 0.003 . 1 . . . . B 658 GLY H . 31080 2
153 . 2 . 2 21 21 GLY HA2 H 1 3.714 0.005 . 1 . . . . B 658 GLY HA2 . 31080 2
154 . 2 . 2 21 21 GLY HA3 H 1 3.606 0.01 . 1 . . . . B 658 GLY HA3 . 31080 2
155 . 2 . 2 22 22 PHE H H 1 8.063 0 . 1 . . . . B 659 PHE H . 31080 2
156 . 2 . 2 22 22 PHE HA H 1 4.501 0 . 1 . . . . B 659 PHE HA . 31080 2
157 . 2 . 2 22 22 PHE HB2 H 1 2.352 0.017 . 2 . . . . B 659 PHE HB2 . 31080 2
158 . 2 . 2 22 22 PHE HB3 H 1 2.189 0.003 . 2 . . . . B 659 PHE HB3 . 31080 2
159 . 2 . 2 22 22 PHE HD1 H 1 7.108 0.003 . 1 . . . . B 659 PHE HD1 . 31080 2
160 . 2 . 2 22 22 PHE HD2 H 1 7.108 0.003 . 1 . . . . B 659 PHE HD2 . 31080 2
161 . 2 . 2 22 22 PHE HE1 H 1 7.301 0.003 . 1 . . . . B 659 PHE HE1 . 31080 2
162 . 2 . 2 22 22 PHE HE2 H 1 7.301 0.003 . 1 . . . . B 659 PHE HE2 . 31080 2
163 . 2 . 2 22 22 PHE CA C 13 56.053 0 . 1 . . . . B 659 PHE CA . 31080 2
164 . 2 . 2 22 22 PHE CB C 13 39.316 0 . 1 . . . . B 659 PHE CB . 31080 2
165 . 2 . 2 22 22 PHE CD1 C 13 131.743 0 . 1 . . . . B 659 PHE CD1 . 31080 2
166 . 2 . 2 22 22 PHE CD2 C 13 131.743 0 . 1 . . . . B 659 PHE CD2 . 31080 2
167 . 2 . 2 22 22 PHE CE1 C 13 131.632 0 . 1 . . . . B 659 PHE CE1 . 31080 2
168 . 2 . 2 22 22 PHE CE2 C 13 131.632 0 . 1 . . . . B 659 PHE CE2 . 31080 2
169 . 2 . 2 22 22 PHE N N 15 120.07 0 . 1 . . . . B 659 PHE N . 31080 2
170 . 2 . 2 23 23 SEP H H 1 9.488 0.003 . 1 . . . . B 660 SEP H . 31080 2
171 . 2 . 2 23 23 SEP HA H 1 4.368 0.002 . 1 . . . . B 660 SEP HA . 31080 2
172 . 2 . 2 24 24 PHE H H 1 6.963 0.005 . 1 . . . . B 661 PHE H . 31080 2
173 . 2 . 2 24 24 PHE HA H 1 4.629 0.001 . 1 . . . . B 661 PHE HA . 31080 2
174 . 2 . 2 24 24 PHE HB2 H 1 2.97 0.004 . 2 . . . . B 661 PHE HB2 . 31080 2
175 . 2 . 2 24 24 PHE HB3 H 1 2.885 0.004 . 2 . . . . B 661 PHE HB3 . 31080 2
176 . 2 . 2 24 24 PHE HD1 H 1 6.79 0.002 . 1 . . . . B 661 PHE HD1 . 31080 2
177 . 2 . 2 24 24 PHE HD2 H 1 6.79 0.002 . 1 . . . . B 661 PHE HD2 . 31080 2
178 . 2 . 2 24 24 PHE CA C 13 55.628 0.013 . 1 . . . . B 661 PHE CA . 31080 2
179 . 2 . 2 24 24 PHE CB C 13 37.192 0.028 . 1 . . . . B 661 PHE CB . 31080 2
180 . 2 . 2 24 24 PHE CD1 C 13 132.467 0 . 1 . . . . B 661 PHE CD1 . 31080 2
181 . 2 . 2 24 24 PHE CD2 C 13 132.467 0 . 1 . . . . B 661 PHE CD2 . 31080 2
182 . 2 . 2 24 24 PHE N N 15 118.984 0 . 1 . . . . B 661 PHE N . 31080 2
183 . 2 . 2 25 25 NH2 HN1 H 1 8.536 0 . 1 . . . . B 662 NH2 HN1 . 31080 2
184 . 2 . 2 25 25 NH2 HN2 H 1 7.387 0.002 . 1 . . . . B 662 NH2 HN2 . 31080 2
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