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 30273
_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 $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 'DARR 250 MS' . . . 30273 1
2 'DARR 250 MS' . . . 30273 1
3 'DARR 250 MS' . . . 30273 1
4 'CHHC 500 US' . . . 30273 1
5 'CHHC 500 US' . . . 30273 1
6 'PAR 15 MS' . . . 30273 1
7 'PAR 15 MS' . . . 30273 1
8 'PAIN 6 MS' . . . 30273 1
9 'PAIN 6 MS' . . . 30273 1
10 'TEDOR 8 MS' . . . 30273 1
11 'TEDOR 8 MS' . . . 30273 1
12 'TEDOR 8 MS' . . . 30273 1
13 NCOCX . . . 30273 1
14 NCOCA . . . 30273 1
15 NCACX . . . 30273 1
16 NCA . . . 30273 1
17 'DARR 50 MS' . . . 30273 1
18 'DARR 50 MS' . . . 30273 1
19 'DARR 50 MS' . . . 30273 1
20 'DARR 20 MS' . . . 30273 1
21 'DARR 20 MS' . . . 30273 1
22 'DARR 20 MS' . . . 30273 1
23 'DARR 100 MS' . . . 30273 1
24 'DARR 100 MS' . . . 30273 1
25 'DARR 100 MS' . . . 30273 1
26 'DARR 500 MS' . . . 30273 1
27 'DARR 500 MS' . . . 30273 1
28 'DARR 500 MS' . . . 30273 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.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 PRO CA C 13 63.060 0.000 . 1 . . . . A 448 PRO CA . 30273 1
2 . 1 1 1 1 PRO CB C 13 31.950 0.000 . 1 . . . . A 448 PRO CB . 30273 1
3 . 1 1 1 1 PRO CG C 13 27.440 0.000 . 1 . . . . A 448 PRO CG . 30273 1
4 . 1 1 1 1 PRO CD C 13 50.590 0.000 . 1 . . . . A 448 PRO CD . 30273 1
5 . 1 1 2 2 LEU CA C 13 55.097 0.000 . 1 . . . . A 449 LEU CA . 30273 1
6 . 1 1 2 2 LEU CB C 13 42.372 0.000 . 1 . . . . A 449 LEU CB . 30273 1
7 . 1 1 2 2 LEU CG C 13 27.010 0.000 . 1 . . . . A 449 LEU CG . 30273 1
8 . 1 1 2 2 LEU CD1 C 13 25.232 0.000 . 1 . . . . A 449 LEU CD1 . 30273 1
9 . 1 1 2 2 LEU CD2 C 13 23.505 0.000 . 1 . . . . A 449 LEU CD2 . 30273 1
10 . 1 1 3 3 VAL CA C 13 60.618 0.000 . 1 . . . . A 450 VAL CA . 30273 1
11 . 1 1 3 3 VAL CB C 13 33.216 0.000 . 1 . . . . A 450 VAL CB . 30273 1
12 . 1 1 3 3 VAL CG1 C 13 24.705 0.000 . 1 . . . . A 450 VAL CG1 . 30273 1
13 . 1 1 4 4 ASN C C 13 175.540 0.000 . 1 . . . . A 451 ASN C . 30273 1
14 . 1 1 4 4 ASN CA C 13 53.560 0.000 . 1 . . . . A 451 ASN CA . 30273 1
15 . 1 1 4 4 ASN CB C 13 38.928 0.000 . 1 . . . . A 451 ASN CB . 30273 1
16 . 1 1 4 4 ASN N N 15 115.920 0.000 . 1 . . . . A 451 ASN N . 30273 1
17 . 1 1 5 5 ILE CA C 13 59.680 0.000 . 1 . . . . A 452 ILE CA . 30273 1
18 . 1 1 5 5 ILE CB C 13 39.832 0.000 . 1 . . . . A 452 ILE CB . 30273 1
19 . 1 1 5 5 ILE CG1 C 13 27.250 0.000 . 1 . . . . A 452 ILE CG1 . 30273 1
20 . 1 1 5 5 ILE CG2 C 13 17.961 0.000 . 1 . . . . A 452 ILE CG2 . 30273 1
21 . 1 1 5 5 ILE CD1 C 13 13.720 0.000 . 1 . . . . A 452 ILE CD1 . 30273 1
22 . 1 1 5 5 ILE N N 15 122.990 0.000 . 1 . . . . A 452 ILE N . 30273 1
23 . 1 1 7 7 ASN C C 13 178.290 0.000 . 1 . . . . A 454 ASN C . 30273 1
24 . 1 1 7 7 ASN CA C 13 54.190 0.000 . 1 . . . . A 454 ASN CA . 30273 1
25 . 1 1 7 7 ASN CB C 13 37.590 0.000 . 1 . . . . A 454 ASN CB . 30273 1
26 . 1 1 7 7 ASN CG C 13 178.290 0.000 . 1 . . . . A 454 ASN CG . 30273 1
27 . 1 1 7 7 ASN N N 15 124.600 0.000 . 1 . . . . A 454 ASN N . 30273 1
28 . 1 1 8 8 CYS C C 13 174.230 0.000 . 1 . . . . A 455 CYS C . 30273 1
29 . 1 1 8 8 CYS CA C 13 58.270 0.000 . 1 . . . . A 455 CYS CA . 30273 1
30 . 1 1 8 8 CYS CB C 13 32.430 0.000 . 1 . . . . A 455 CYS CB . 30273 1
31 . 1 1 8 8 CYS N N 15 112.760 0.000 . 1 . . . . A 455 CYS N . 30273 1
32 . 1 1 9 9 SER C C 13 173.160 0.000 . 1 . . . . A 456 SER C . 30273 1
33 . 1 1 9 9 SER CA C 13 58.540 0.000 . 1 . . . . A 456 SER CA . 30273 1
34 . 1 1 9 9 SER CB C 13 64.010 0.000 . 1 . . . . A 456 SER CB . 30273 1
35 . 1 1 10 10 GLY C C 13 170.660 0.000 . 1 . . . . A 457 GLY C . 30273 1
36 . 1 1 10 10 GLY CA C 13 48.810 0.000 . 1 . . . . A 457 GLY CA . 30273 1
37 . 1 1 10 10 GLY N N 15 117.060 0.000 . 1 . . . . A 457 GLY N . 30273 1
38 . 1 1 11 11 VAL C C 13 174.370 0.000 . 1 . . . . A 458 VAL C . 30273 1
39 . 1 1 11 11 VAL CA C 13 59.350 0.000 . 1 . . . . A 458 VAL CA . 30273 1
40 . 1 1 11 11 VAL CB C 13 35.940 0.000 . 1 . . . . A 458 VAL CB . 30273 1
41 . 1 1 11 11 VAL CG1 C 13 21.290 0.000 . 1 . . . . A 458 VAL CG1 . 30273 1
42 . 1 1 11 11 VAL CG2 C 13 20.250 0.000 . 1 . . . . A 458 VAL CG2 . 30273 1
43 . 1 1 11 11 VAL N N 15 122.850 0.000 . 1 . . . . A 458 VAL N . 30273 1
44 . 1 1 12 12 GLN C C 13 174.230 0.000 . 1 . . . . A 459 GLN C . 30273 1
45 . 1 1 12 12 GLN CA C 13 54.101 0.000 . 1 . . . . A 459 GLN CA . 30273 1
46 . 1 1 12 12 GLN CB C 13 32.136 0.000 . 1 . . . . A 459 GLN CB . 30273 1
47 . 1 1 12 12 GLN CG C 13 33.601 0.000 . 1 . . . . A 459 GLN CG . 30273 1
48 . 1 1 12 12 GLN CD C 13 180.154 0.000 . 1 . . . . A 459 GLN CD . 30273 1
49 . 1 1 12 12 GLN N N 15 124.800 0.000 . 1 . . . . A 459 GLN N . 30273 1
50 . 1 1 13 13 VAL C C 13 174.510 0.000 . 1 . . . . A 460 VAL C . 30273 1
51 . 1 1 13 13 VAL CA C 13 60.560 0.000 . 1 . . . . A 460 VAL CA . 30273 1
52 . 1 1 13 13 VAL CB C 13 33.080 0.000 . 1 . . . . A 460 VAL CB . 30273 1
53 . 1 1 13 13 VAL CG1 C 13 21.288 0.000 . 1 . . . . A 460 VAL CG1 . 30273 1
54 . 1 1 13 13 VAL CG2 C 13 19.760 0.000 . 1 . . . . A 460 VAL CG2 . 30273 1
55 . 1 1 13 13 VAL N N 15 123.590 0.000 . 1 . . . . A 460 VAL N . 30273 1
56 . 1 1 14 14 GLY C C 13 171.000 0.000 . 1 . . . . A 461 GLY C . 30273 1
57 . 1 1 14 14 GLY CA C 13 44.610 0.000 . 1 . . . . A 461 GLY CA . 30273 1
58 . 1 1 14 14 GLY N N 15 116.860 0.000 . 1 . . . . A 461 GLY N . 30273 1
59 . 1 1 15 15 ASP C C 13 175.930 0.000 . 1 . . . . A 462 ASP C . 30273 1
60 . 1 1 15 15 ASP CA C 13 52.340 0.000 . 1 . . . . A 462 ASP CA . 30273 1
61 . 1 1 15 15 ASP CB C 13 43.990 0.000 . 1 . . . . A 462 ASP CB . 30273 1
62 . 1 1 15 15 ASP CG C 13 180.370 0.000 . 1 . . . . A 462 ASP CG . 30273 1
63 . 1 1 15 15 ASP N N 15 118.060 0.000 . 1 . . . . A 462 ASP N . 30273 1
64 . 2 2 1 1 THR C C 13 172.690 0.000 . 1 . . . . B 532 THR C . 30273 1
65 . 2 2 1 1 THR CA C 13 61.760 0.000 . 1 . . . . B 532 THR CA . 30273 1
66 . 2 2 1 1 THR CB C 13 69.950 0.000 . 1 . . . . B 532 THR CB . 30273 1
67 . 2 2 1 1 THR CG2 C 13 21.960 0.000 . 1 . . . . B 532 THR CG2 . 30273 1
68 . 2 2 1 1 THR N N 15 121.940 0.000 . 1 . . . . B 532 THR N . 30273 1
69 . 2 2 2 2 ILE C C 13 173.400 0.000 . 1 . . . . B 533 ILE C . 30273 1
70 . 2 2 2 2 ILE CA C 13 59.920 0.000 . 1 . . . . B 533 ILE CA . 30273 1
71 . 2 2 2 2 ILE CB C 13 41.570 0.000 . 1 . . . . B 533 ILE CB . 30273 1
72 . 2 2 2 2 ILE CG1 C 13 27.790 0.000 . 1 . . . . B 533 ILE CG1 . 30273 1
73 . 2 2 2 2 ILE CG2 C 13 18.270 0.000 . 1 . . . . B 533 ILE CG2 . 30273 1
74 . 2 2 2 2 ILE CD1 C 13 14.210 0.000 . 1 . . . . B 533 ILE CD1 . 30273 1
75 . 2 2 2 2 ILE N N 15 126.530 0.000 . 1 . . . . B 533 ILE N . 30273 1
76 . 2 2 3 3 TYR C C 13 174.340 0.000 . 1 . . . . B 534 TYR C . 30273 1
77 . 2 2 3 3 TYR CA C 13 56.315 0.000 . 1 . . . . B 534 TYR CA . 30273 1
78 . 2 2 3 3 TYR CB C 13 42.141 0.000 . 1 . . . . B 534 TYR CB . 30273 1
79 . 2 2 3 3 TYR CG C 13 128.680 0.000 . 1 . . . . B 534 TYR CG . 30273 1
80 . 2 2 3 3 TYR N N 15 123.510 0.000 . 1 . . . . B 534 TYR N . 30273 1
81 . 2 2 4 4 ASN C C 13 174.670 0.000 . 1 . . . . B 535 ASN C . 30273 1
82 . 2 2 4 4 ASN CA C 13 53.440 0.000 . 1 . . . . B 535 ASN CA . 30273 1
83 . 2 2 4 4 ASN CB C 13 36.021 0.000 . 1 . . . . B 535 ASN CB . 30273 1
84 . 2 2 4 4 ASN CG C 13 175.825 0.000 . 1 . . . . B 535 ASN CG . 30273 1
85 . 2 2 4 4 ASN N N 15 124.950 0.000 . 1 . . . . B 535 ASN N . 30273 1
86 . 2 2 5 5 SER C C 13 171.980 0.000 . 1 . . . . B 536 SER C . 30273 1
87 . 2 2 5 5 SER CA C 13 59.190 0.000 . 1 . . . . B 536 SER CA . 30273 1
88 . 2 2 5 5 SER CB C 13 67.880 0.000 . 1 . . . . B 536 SER CB . 30273 1
89 . 2 2 5 5 SER N N 15 112.710 0.000 . 1 . . . . B 536 SER N . 30273 1
90 . 2 2 6 6 THR C C 13 174.300 0.000 . 1 . . . . B 537 THR C . 30273 1
91 . 2 2 6 6 THR CA C 13 60.930 0.000 . 1 . . . . B 537 THR CA . 30273 1
92 . 2 2 6 6 THR CB C 13 72.140 0.000 . 1 . . . . B 537 THR CB . 30273 1
93 . 2 2 6 6 THR CG2 C 13 21.080 0.000 . 1 . . . . B 537 THR CG2 . 30273 1
94 . 2 2 6 6 THR N N 15 118.690 0.000 . 1 . . . . B 537 THR N . 30273 1
95 . 2 2 7 7 GLY C C 13 170.670 0.000 . 1 . . . . B 538 GLY C . 30273 1
96 . 2 2 7 7 GLY CA C 13 48.457 0.000 . 1 . . . . B 538 GLY CA . 30273 1
97 . 2 2 7 7 GLY N N 15 116.760 0.000 . 1 . . . . B 538 GLY N . 30273 1
98 . 2 2 8 8 ILE C C 13 174.450 0.000 . 1 . . . . B 539 ILE C . 30273 1
99 . 2 2 8 8 ILE CA C 13 59.170 0.000 . 1 . . . . B 539 ILE CA . 30273 1
100 . 2 2 8 8 ILE CB C 13 42.910 0.000 . 1 . . . . B 539 ILE CB . 30273 1
101 . 2 2 8 8 ILE CG1 C 13 28.720 0.000 . 1 . . . . B 539 ILE CG1 . 30273 1
102 . 2 2 8 8 ILE CG2 C 13 18.390 0.000 . 1 . . . . B 539 ILE CG2 . 30273 1
103 . 2 2 8 8 ILE CD1 C 13 16.540 0.000 . 1 . . . . B 539 ILE CD1 . 30273 1
104 . 2 2 8 8 ILE N N 15 124.770 0.000 . 1 . . . . B 539 ILE N . 30273 1
105 . 2 2 9 9 GLN C C 13 174.740 0.000 . 1 . . . . B 540 GLN C . 30273 1
106 . 2 2 9 9 GLN CA C 13 53.550 0.000 . 1 . . . . B 540 GLN CA . 30273 1
107 . 2 2 9 9 GLN CB C 13 32.460 0.000 . 1 . . . . B 540 GLN CB . 30273 1
108 . 2 2 9 9 GLN CG C 13 33.640 0.000 . 1 . . . . B 540 GLN CG . 30273 1
109 . 2 2 9 9 GLN CD C 13 177.680 0.000 . 1 . . . . B 540 GLN CD . 30273 1
110 . 2 2 9 9 GLN N N 15 124.880 0.000 . 1 . . . . B 540 GLN N . 30273 1
111 . 2 2 9 9 GLN NE2 N 15 112.250 0.000 . 1 . . . . B 540 GLN NE2 . 30273 1
112 . 2 2 10 10 ILE C C 13 174.540 0.000 . 1 . . . . B 541 ILE C . 30273 1
113 . 2 2 10 10 ILE CA C 13 60.560 0.000 . 1 . . . . B 541 ILE CA . 30273 1
114 . 2 2 10 10 ILE CB C 13 39.840 0.000 . 1 . . . . B 541 ILE CB . 30273 1
115 . 2 2 10 10 ILE CG1 C 13 27.740 0.000 . 1 . . . . B 541 ILE CG1 . 30273 1
116 . 2 2 10 10 ILE CG2 C 13 17.490 0.000 . 1 . . . . B 541 ILE CG2 . 30273 1
117 . 2 2 10 10 ILE CD1 C 13 16.261 0.000 . 1 . . . . B 541 ILE CD1 . 30273 1
118 . 2 2 10 10 ILE N N 15 124.480 0.000 . 1 . . . . B 541 ILE N . 30273 1
119 . 2 2 11 11 GLY C C 13 170.212 0.000 . 1 . . . . B 542 GLY C . 30273 1
120 . 2 2 11 11 GLY CA C 13 44.728 0.000 . 1 . . . . B 542 GLY CA . 30273 1
121 . 2 2 11 11 GLY N N 15 116.300 0.000 . 1 . . . . B 542 GLY N . 30273 1
122 . 2 2 12 12 ALA C C 13 176.010 0.000 . 1 . . . . B 543 ALA C . 30273 1
123 . 2 2 12 12 ALA CA C 13 49.830 0.000 . 1 . . . . B 543 ALA CA . 30273 1
124 . 2 2 12 12 ALA CB C 13 23.880 0.000 . 1 . . . . B 543 ALA CB . 30273 1
125 . 2 2 12 12 ALA N N 15 123.220 0.000 . 1 . . . . B 543 ALA N . 30273 1
126 . 2 2 13 13 TYR C C 13 174.600 0.000 . 1 . . . . B 544 TYR C . 30273 1
127 . 2 2 13 13 TYR CA C 13 57.989 0.000 . 1 . . . . B 544 TYR CA . 30273 1
128 . 2 2 13 13 TYR CB C 13 35.750 0.000 . 1 . . . . B 544 TYR CB . 30273 1
129 . 2 2 13 13 TYR N N 15 110.190 0.000 . 1 . . . . B 544 TYR N . 30273 1
130 . 2 2 14 14 ASN C C 13 175.720 0.000 . 1 . . . . B 545 ASN C . 30273 1
131 . 2 2 14 14 ASN CA C 13 53.300 0.000 . 1 . . . . B 545 ASN CA . 30273 1
132 . 2 2 14 14 ASN CB C 13 40.390 0.000 . 1 . . . . B 545 ASN CB . 30273 1
133 . 2 2 14 14 ASN N N 15 116.090 0.000 . 1 . . . . B 545 ASN N . 30273 1
134 . 2 2 15 15 TYR C C 13 174.290 0.000 . 1 . . . . B 546 TYR C . 30273 1
135 . 2 2 15 15 TYR CA C 13 56.890 0.000 . 1 . . . . B 546 TYR CA . 30273 1
136 . 2 2 15 15 TYR CB C 13 42.686 0.000 . 1 . . . . B 546 TYR CB . 30273 1
137 . 2 2 15 15 TYR CG C 13 129.380 0.000 . 1 . . . . B 546 TYR CG . 30273 1
138 . 2 2 15 15 TYR N N 15 122.410 0.000 . 1 . . . . B 546 TYR N . 30273 1
139 . 2 2 16 16 MET C C 13 172.600 0.000 . 1 . . . . B 547 MET C . 30273 1
140 . 2 2 16 16 MET CA C 13 54.200 0.000 . 1 . . . . B 547 MET CA . 30273 1
141 . 2 2 16 16 MET CB C 13 38.330 0.000 . 1 . . . . B 547 MET CB . 30273 1
142 . 2 2 16 16 MET CG C 13 30.843 0.000 . 1 . . . . B 547 MET CG . 30273 1
143 . 2 2 16 16 MET CE C 13 16.005 0.000 . 1 . . . . B 547 MET CE . 30273 1
144 . 2 2 16 16 MET N N 15 131.180 0.000 . 1 . . . . B 547 MET N . 30273 1
145 . 2 2 17 17 GLU C C 13 182.637 0.000 . 1 . . . . B 548 GLU C . 30273 1
146 . 2 2 17 17 GLU CA C 13 55.630 0.000 . 1 . . . . B 548 GLU CA . 30273 1
147 . 2 2 17 17 GLU CB C 13 29.680 0.000 . 1 . . . . B 548 GLU CB . 30273 1
148 . 2 2 17 17 GLU CG C 13 35.570 0.000 . 1 . . . . B 548 GLU CG . 30273 1
149 . 2 2 17 17 GLU CD C 13 182.710 0.000 . 1 . . . . B 548 GLU CD . 30273 1
150 . 2 2 17 17 GLU N N 15 124.371 0.000 . 1 . . . . B 548 GLU N . 30273 1
151 . 2 2 18 18 ILE CB C 13 36.390 0.000 . 1 . . . . B 549 ILE CB . 30273 1
152 . 2 2 18 18 ILE CG1 C 13 26.800 0.000 . 1 . . . . B 549 ILE CG1 . 30273 1
153 . 2 2 18 18 ILE CD1 C 13 17.060 0.000 . 1 . . . . B 549 ILE CD1 . 30273 1
stop_
save_