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 34723
_Assigned_chem_shift_list.ID 1
_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 1H-13C HSQC aromatic' . . . 34723 1
2 '2D 1H-1H NOESY' . . . 34723 1
3 '2D 1H-1H COSY' . . . 34723 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 GNG H1 H 1 11.590 0.001 . 1 . . 524 . A 1 GNG HN1 . 34723 1
2 . 1 . 1 1 1 GNG H1' H 1 6.041 0.004 . 1 . . 539 . A 1 GNG H1' . 34723 1
3 . 1 . 1 1 1 GNG H2' H 1 2.899 0.003 . 1 . . 547 . A 1 GNG H2' . 34723 1
4 . 1 . 1 1 1 GNG H2'' H 1 3.129 0.001 . 1 . . 546 . A 1 GNG H2'' . 34723 1
5 . 1 . 1 1 1 GNG H3' H 1 4.966 0.001 . 1 . . 596 . A 1 GNG H3' . 34723 1
6 . 1 . 1 1 1 GNG H8 H 1 7.400 0.001 . 1 . . 538 . A 1 GNG H8 . 34723 1
7 . 1 . 1 1 1 GNG C8 C 13 140.186 . . 1 . . 614 . A 1 GNG C8 . 34723 1
8 . 1 . 1 2 2 BGM H1 H 1 11.261 0.002 . 1 . . 525 . A 2 BGM H1 . 34723 1
9 . 1 . 1 2 2 BGM H1' H 1 5.975 0.003 . 1 . . 585 . A 2 BGM H1' . 34723 1
10 . 1 . 1 2 2 BGM H2' H 1 3.122 0.003 . 1 . . 584 . A 2 BGM H2' . 34723 1
11 . 1 . 1 2 2 BGM H2'' H 1 2.124 0.003 . 1 . . 586 . A 2 BGM H2'' . 34723 1
12 . 1 . 1 2 2 BGM H3' H 1 5.083 0.003 . 1 . . 591 . A 2 BGM H3' . 34723 1
13 . 1 . 1 3 3 DC H1' H 1 6.242 0.004 . 1 . . 515 . A 3 DC H1' . 34723 1
14 . 1 . 1 3 3 DC H2' H 1 2.110 0.007 . 1 . . 550 . A 3 DC H2' . 34723 1
15 . 1 . 1 3 3 DC H2'' H 1 2.526 0.007 . 1 . . 549 . A 3 DC H2'' . 34723 1
16 . 1 . 1 3 3 DC H3' H 1 4.745 0.001 . 1 . . 590 . A 3 DC H3' . 34723 1
17 . 1 . 1 3 3 DC H5 H 1 6.123 0.0 . 1 . . 548 . A 3 DC H5 . 34723 1
18 . 1 . 1 3 3 DC H6 H 1 7.969 0.002 . 1 . . 516 . A 3 DC H6 . 34723 1
19 . 1 . 1 3 3 DC C6 C 13 144.168 . . 1 . . 617 . A 3 DC C6 . 34723 1
20 . 1 . 1 4 4 DT H1' H 1 5.812 0.005 . 1 . . 513 . A 4 DT H1' . 34723 1
21 . 1 . 1 4 4 DT H2' H 1 1.489 0.006 . 1 . . 544 . A 4 DT H2' . 34723 1
22 . 1 . 1 4 4 DT H2'' H 1 1.928 0.007 . 1 . . 545 . A 4 DT H2'' . 34723 1
23 . 1 . 1 4 4 DT H3' H 1 4.660 0.001 . 1 . . 589 . A 4 DT H3' . 34723 1
24 . 1 . 1 4 4 DT H6 H 1 7.106 0.002 . 1 . . 514 . A 4 DT H6 . 34723 1
25 . 1 . 1 4 4 DT H71 H 1 1.518 0.008 . 1 . . 543 . A 4 DT H71 . 34723 1
26 . 1 . 1 4 4 DT H72 H 1 1.518 0.008 . 1 . . 543 . A 4 DT H72 . 34723 1
27 . 1 . 1 4 4 DT H73 H 1 1.518 0.008 . 1 . . 543 . A 4 DT H73 . 34723 1
28 . 1 . 1 4 4 DT C6 C 13 139.063 . . 1 . . 613 . A 4 DT C6 . 34723 1
29 . 1 . 1 5 5 DA H1' H 1 5.642 0.004 . 1 . . 512 . A 5 DA H1' . 34723 1
30 . 1 . 1 5 5 DA H2 H 1 7.758 0.002 . 1 . . 535 . A 5 DA H2 . 34723 1
31 . 1 . 1 5 5 DA H2' H 1 2.563 0.004 . 1 . . 552 . A 5 DA H2' . 34723 1
32 . 1 . 1 5 5 DA H2'' H 1 2.564 0.005 . 1 . . 551 . A 5 DA H2'' . 34723 1
33 . 1 . 1 5 5 DA H3' H 1 4.873 0.002 . 1 . . 595 . A 5 DA H3' . 34723 1
34 . 1 . 1 5 5 DA H8 H 1 8.084 0.001 . 1 . . 511 . A 5 DA H8 . 34723 1
35 . 1 . 1 5 5 DA C2 C 13 154.812 . . 1 . . 629 . A 5 DA C2 . 34723 1
36 . 1 . 1 5 5 DA C8 C 13 142.189 . . 1 . . 618 . A 5 DA C8 . 34723 1
37 . 1 . 1 6 6 DG H1 H 1 11.410 0.003 . 1 . . 532 . A 6 DG H1 . 34723 1
38 . 1 . 1 6 6 DG H1' H 1 5.953 0.003 . 1 . . 518 . A 6 DG H1' . 34723 1
39 . 1 . 1 6 6 DG H2' H 1 2.684 0.002 . 1 . . 555 . A 6 DG H2' . 34723 1
40 . 1 . 1 6 6 DG H2'' H 1 2.897 0.003 . 1 . . 556 . A 6 DG H2'' . 34723 1
41 . 1 . 1 6 6 DG H3' H 1 4.964 0.001 . 1 . . 594 . A 6 DG H3' . 34723 1
42 . 1 . 1 6 6 DG H8 H 1 7.933 0.002 . 1 . . 517 . A 6 DG H8 . 34723 1
43 . 1 . 1 6 6 DG C8 C 13 137.893 . . 1 . . 624 . A 6 DG C8 . 34723 1
44 . 1 . 1 7 7 DG H1 H 1 11.212 0.002 . 1 . . 533 . A 7 DG H1 . 34723 1
45 . 1 . 1 7 7 DG H1' H 1 6.101 0.002 . 1 . . 520 . A 7 DG H1' . 34723 1
46 . 1 . 1 7 7 DG H2' H 1 2.560 0.002 . 1 . . 558 . A 7 DG H2' . 34723 1
47 . 1 . 1 7 7 DG H2'' H 1 2.846 0.002 . 1 . . 557 . A 7 DG H2'' . 34723 1
48 . 1 . 1 7 7 DG H3' H 1 4.813 0.001 . 1 . . 597 . A 7 DG H3' . 34723 1
49 . 1 . 1 7 7 DG H8 H 1 7.453 0.001 . 1 . . 519 . A 7 DG H8 . 34723 1
50 . 1 . 1 7 7 DG C8 C 13 136.955 . . 1 . . 611 . A 7 DG C8 . 34723 1
51 . 1 . 1 8 8 DG H1 H 1 10.670 0.001 . 1 . . 534 . A 8 DG H1 . 34723 1
52 . 1 . 1 8 8 DG H1' H 1 6.409 0.003 . 1 . . 522 . A 8 DG H1' . 34723 1
53 . 1 . 1 8 8 DG H2' H 1 2.692 0.006 . 1 . . 561 . A 8 DG H2' . 34723 1
54 . 1 . 1 8 8 DG H2'' H 1 2.645 0.002 . 1 . . 560 . A 8 DG H2'' . 34723 1
55 . 1 . 1 8 8 DG H3' H 1 5.094 0.0 . 1 . . 598 . A 8 DG H3' . 34723 1
56 . 1 . 1 8 8 DG H8 H 1 7.817 0.001 . 1 . . 521 . A 8 DG H8 . 34723 1
57 . 1 . 1 8 8 DG C8 C 13 138.100 . . 1 . . 627 . A 8 DG C8 . 34723 1
58 . 1 . 1 9 9 DT H1' H 1 6.504 0.003 . 1 . . 563 . A 9 DT H1' . 34723 1
59 . 1 . 1 9 9 DT H2' H 1 2.430 0.004 . 1 . . 571 . A 9 DT H2' . 34723 1
60 . 1 . 1 9 9 DT H2'' H 1 2.675 0.004 . 1 . . 572 . A 9 DT H2'' . 34723 1
61 . 1 . 1 9 9 DT H3' H 1 5.128 0.002 . 1 . . 602 . A 9 DT H3' . 34723 1
62 . 1 . 1 9 9 DT H6 H 1 7.850 0.001 . 1 . . 562 . A 9 DT H6 . 34723 1
63 . 1 . 1 9 9 DT H71 H 1 1.959 . . 1 . . 566 . A 9 DT H71 . 34723 1
64 . 1 . 1 9 9 DT H72 H 1 1.959 . . 1 . . 566 . A 9 DT H72 . 34723 1
65 . 1 . 1 9 9 DT H73 H 1 1.959 . . 1 . . 566 . A 9 DT H73 . 34723 1
66 . 1 . 1 9 9 DT C6 C 13 139.896 . . 1 . . 620 . A 9 DT C6 . 34723 1
67 . 1 . 1 10 10 DG H1 H 1 11.629 0.002 . 1 . . 507 . A 10 DG H1 . 34723 1
68 . 1 . 1 10 10 DG H1' H 1 6.146 0.004 . 1 . . 527 . A 10 DG H1' . 34723 1
69 . 1 . 1 10 10 DG H2' H 1 2.420 0.003 . 1 . . 565 . A 10 DG H2' . 34723 1
70 . 1 . 1 10 10 DG H2'' H 1 2.954 0.003 . 1 . . 564 . A 10 DG H2'' . 34723 1
71 . 1 . 1 10 10 DG H3' H 1 5.141 . . 1 . . 592 . A 10 DG H3' . 34723 1
72 . 1 . 1 10 10 DG H8 H 1 8.013 0.001 . 1 . . 526 . A 10 DG H8 . 34723 1
73 . 1 . 1 10 10 DG C8 C 13 137.976 . . 1 . . 623 . A 10 DG C8 . 34723 1
74 . 1 . 1 11 11 DG H1 H 1 11.417 0.002 . 1 . . 508 . A 11 DG H1 . 34723 1
75 . 1 . 1 11 11 DG H1' H 1 6.120 0.003 . 1 . . 529 . A 11 DG H1' . 34723 1
76 . 1 . 1 11 11 DG H2' H 1 2.650 0.004 . 1 . . 567 . A 11 DG H2' . 34723 1
77 . 1 . 1 11 11 DG H2'' H 1 2.892 0.002 . 1 . . 568 . A 11 DG H2'' . 34723 1
78 . 1 . 1 11 11 DG H3' H 1 5.085 0.001 . 1 . . 593 . A 11 DG H3' . 34723 1
79 . 1 . 1 11 11 DG H8 H 1 7.921 0.001 . 1 . . 528 . A 11 DG H8 . 34723 1
80 . 1 . 1 11 11 DG C8 C 13 138.219 . . 1 . . 625 . A 11 DG C8 . 34723 1
81 . 1 . 1 12 12 DG H1 H 1 11.149 0.001 . 1 . . 509 . A 12 DG H1 . 34723 1
82 . 1 . 1 12 12 DG H1' H 1 6.490 0.002 . 1 . . 531 . A 12 DG H1' . 34723 1
83 . 1 . 1 12 12 DG H2' H 1 2.741 0.003 . 1 . . 569 . A 12 DG H2' . 34723 1
84 . 1 . 1 12 12 DG H2'' H 1 2.615 0.002 . 1 . . 570 . A 12 DG H2'' . 34723 1
85 . 1 . 1 12 12 DG H3' H 1 5.102 0.001 . 1 . . 603 . A 12 DG H3' . 34723 1
86 . 1 . 1 12 12 DG H8 H 1 7.828 0.001 . 1 . . 530 . A 12 DG H8 . 34723 1
87 . 1 . 1 12 12 DG C8 C 13 137.619 . . 1 . . 626 . A 12 DG C8 . 34723 1
88 . 1 . 1 13 13 DT H1' H 1 6.497 0.001 . 1 . . 577 . A 13 DT H1' . 34723 1
89 . 1 . 1 13 13 DT H2' H 1 2.426 0.002 . 1 . . 574 . A 13 DT H2' . 34723 1
90 . 1 . 1 13 13 DT H2'' H 1 2.668 0.003 . 1 . . 575 . A 13 DT H2'' . 34723 1
91 . 1 . 1 13 13 DT H3' H 1 5.119 0.002 . 1 . . 605 . A 13 DT H3' . 34723 1
92 . 1 . 1 13 13 DT H6 H 1 7.838 0.002 . 1 . . 573 . A 13 DT H6 . 34723 1
93 . 1 . 1 13 13 DT H71 H 1 1.959 . . 1 . . 576 . A 13 DT H71 . 34723 1
94 . 1 . 1 13 13 DT H72 H 1 1.959 . . 1 . . 576 . A 13 DT H72 . 34723 1
95 . 1 . 1 13 13 DT H73 H 1 1.959 . . 1 . . 576 . A 13 DT H73 . 34723 1
96 . 1 . 1 13 13 DT C6 C 13 139.879 . . 1 . . 619 . A 13 DT C6 . 34723 1
97 . 1 . 1 14 14 DG H1 H 1 11.379 0.001 . 1 . . 542 . A 14 DG H1 . 34723 1
98 . 1 . 1 14 14 DG H1' H 1 6.130 0.002 . 1 . . 510 . A 14 DG H1' . 34723 1
99 . 1 . 1 14 14 DG H2' H 1 2.400 0.004 . 1 . . 579 . A 14 DG H2' . 34723 1
100 . 1 . 1 14 14 DG H2'' H 1 2.946 . . 1 . . 578 . A 14 DG H2'' . 34723 1
101 . 1 . 1 14 14 DG H3' H 1 5.170 0.006 . 1 . . 601 . A 14 DG H3' . 34723 1
102 . 1 . 1 14 14 DG H8 H 1 8.048 0.001 . 1 . . 506 . A 14 DG H8 . 34723 1
103 . 1 . 1 14 14 DG C8 C 13 138.578 . . 1 . . 621 . A 14 DG C8 . 34723 1
104 . 1 . 1 15 15 DG H1 H 1 11.413 0.001 . 1 . . 541 . A 15 DG H1 . 34723 1
105 . 1 . 1 15 15 DG H1' H 1 6.087 0.003 . 1 . . 502 . A 15 DG H1' . 34723 1
106 . 1 . 1 15 15 DG H2' H 1 2.737 0.004 . 1 . . 504 . A 15 DG H2' . 34723 1
107 . 1 . 1 15 15 DG H2'' H 1 2.723 0.003 . 1 . . 503 . A 15 DG H2'' . 34723 1
108 . 1 . 1 15 15 DG H3' H 1 5.094 0.004 . 1 . . 600 . A 15 DG H3' . 34723 1
109 . 1 . 1 15 15 DG H8 H 1 8.046 0.001 . 1 . . 505 . A 15 DG H8 . 34723 1
110 . 1 . 1 15 15 DG C8 C 13 138.202 . . 1 . . 622 . A 15 DG C8 . 34723 1
111 . 1 . 1 16 16 DG H1 H 1 11.223 0.004 . 1 . . 540 . A 16 DG H1 . 34723 1
112 . 1 . 1 16 16 DG H1' H 1 6.194 0.002 . 1 . . 495 . A 16 DG H1' . 34723 1
113 . 1 . 1 16 16 DG H2' H 1 2.491 0.002 . 1 . . 500 . A 16 DG H2' . 34723 1
114 . 1 . 1 16 16 DG H2'' H 1 2.865 0.003 . 1 . . 501 . A 16 DG H2'' . 34723 1
115 . 1 . 1 16 16 DG H3' H 1 4.954 0.002 . 1 . . 599 . A 16 DG H3' . 34723 1
116 . 1 . 1 16 16 DG H8 H 1 7.543 0.002 . 1 . . 496 . A 16 DG H8 . 34723 1
117 . 1 . 1 16 16 DG C8 C 13 136.585 . . 1 . . 610 . A 16 DG C8 . 34723 1
118 . 1 . 1 17 17 DT H1' H 1 5.928 0.003 . 1 . . 494 . A 17 DT H1' . 34723 1
119 . 1 . 1 17 17 DT H2' H 1 2.029 0.002 . 1 . . 498 . A 17 DT H2' . 34723 1
120 . 1 . 1 17 17 DT H2'' H 1 2.317 0.0 . 1 . . 499 . A 17 DT H2'' . 34723 1
121 . 1 . 1 17 17 DT H3' H 1 4.686 0.0 . 1 . . 606 . A 17 DT H3' . 34723 1
122 . 1 . 1 17 17 DT H6 H 1 7.224 0.001 . 1 . . 493 . A 17 DT H6 . 34723 1
123 . 1 . 1 17 17 DT H71 H 1 1.650 0.002 . 1 . . 497 . A 17 DT H71 . 34723 1
124 . 1 . 1 17 17 DT H72 H 1 1.650 0.002 . 1 . . 497 . A 17 DT H72 . 34723 1
125 . 1 . 1 17 17 DT H73 H 1 1.650 0.002 . 1 . . 497 . A 17 DT H73 . 34723 1
126 . 1 . 1 17 17 DT C6 C 13 138.484 . . 1 . . 612 . A 17 DT C6 . 34723 1
127 . 1 . 1 18 18 DC H1' H 1 5.893 0.004 . 1 . . 490 . A 18 DC H1' . 34723 1
128 . 1 . 1 18 18 DC H2' H 1 1.865 0.004 . 1 . . 581 . A 18 DC H2' . 34723 1
129 . 1 . 1 18 18 DC H2'' H 1 2.256 0.0 . 1 . . 580 . A 18 DC H2'' . 34723 1
130 . 1 . 1 18 18 DC H3' H 1 4.535 0.002 . 1 . . 608 . A 18 DC H3' . 34723 1
131 . 1 . 1 18 18 DC H5 H 1 5.866 0.002 . 1 . . 492 . A 18 DC H5 . 34723 1
132 . 1 . 1 18 18 DC H6 H 1 7.570 0.003 . 1 . . 491 . A 18 DC H6 . 34723 1
133 . 1 . 1 18 18 DC C6 C 13 143.831 . . 1 . . 616 . A 18 DC C6 . 34723 1
134 . 1 . 1 19 19 DA H1' H 1 5.738 0.003 . 1 . . 488 . A 19 DA H1' . 34723 1
135 . 1 . 1 19 19 DA H2 H 1 7.321 0.001 . 1 . . 489 . A 19 DA H2 . 34723 1
136 . 1 . 1 19 19 DA H2' H 1 1.750 0.004 . 1 . . 582 . A 19 DA H2' . 34723 1
137 . 1 . 1 19 19 DA H2'' H 1 2.331 0.001 . 1 . . 583 . A 19 DA H2'' . 34723 1
138 . 1 . 1 19 19 DA H3' H 1 4.665 0.002 . 1 . . 607 . A 19 DA H3' . 34723 1
139 . 1 . 1 19 19 DA H8 H 1 7.689 0.001 . 1 . . 487 . A 19 DA H8 . 34723 1
140 . 1 . 1 19 19 DA C2 C 13 152.944 . . 1 . . 630 . A 19 DA C2 . 34723 1
141 . 1 . 1 19 19 DA C8 C 13 140.651 . . 1 . . 628 . A 19 DA C8 . 34723 1
142 . 1 . 1 20 20 DG H1 H 1 10.739 0.001 . 1 . . 523 . A 20 DG H1 . 34723 1
143 . 1 . 1 20 20 DG H1' H 1 6.242 0.003 . 1 . . 537 . A 20 DG H1' . 34723 1
144 . 1 . 1 20 20 DG H2' H 1 3.269 0.004 . 1 . . 553 . A 20 DG H2' . 34723 1
145 . 1 . 1 20 20 DG H2'' H 1 2.505 0.0 . 1 . . 554 . A 20 DG H2'' . 34723 1
146 . 1 . 1 20 20 DG H3' H 1 4.778 0.002 . 1 . . 609 . A 20 DG H3' . 34723 1
147 . 1 . 1 20 20 DG H8 H 1 7.432 0.001 . 1 . . 536 . A 20 DG H8 . 34723 1
148 . 1 . 1 20 20 DG C8 C 13 140.351 . . 1 . . 615 . A 20 DG C8 . 34723 1
stop_
save_