Content for NMR-STAR saveframe, "assignedchem_shift_list_2"
save_assignedchem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assignedchem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 27397
_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 $chemical_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
15 '2D HNCO' . . . 27397 2
16 '2D HBHA(CO)NH' . . . 27397 2
17 '2D HNCA' . . . 27397 2
18 '2D CBCA(CO)NH' . . . 27397 2
19 '2D 1H-15N HSQC' . . . 27397 2
20 '2D 1H-13C HSQC' . . . 27397 2
21 '2D HN(CA)CO' . . . 27397 2
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
2 $Analysis . . 27397 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 1 1 ALA HA H 1 3.994 0.014 . 1 . . . . . 1 Ala HA . 27397 2
2 . 2 . 2 1 1 ALA HB1 H 1 1.391 0.013 . 1 . . . . . 1 Ala HB1 . 27397 2
3 . 2 . 2 1 1 ALA HB2 H 1 1.391 0.013 . 1 . . . . . 1 Ala HB2 . 27397 2
4 . 2 . 2 1 1 ALA HB3 H 1 1.391 0.013 . 1 . . . . . 1 Ala HB3 . 27397 2
5 . 2 . 2 1 1 ALA C C 13 174.104 0.006 . 1 . . . . . 1 Ala C . 27397 2
6 . 2 . 2 1 1 ALA CA C 13 51.286 0.096 . 1 . . . . . 1 Ala CA . 27397 2
7 . 2 . 2 1 1 ALA CB C 13 19.075 0.000 . 1 . . . . . 1 Ala CB . 27397 2
8 . 2 . 2 2 2 ASP H H 1 9.118 0.005 . 1 . . . . . 2 Asp H . 27397 2
9 . 2 . 2 2 2 ASP HA H 1 4.734 0.001 . 1 . . . . . 2 Asp HA . 27397 2
10 . 2 . 2 2 2 ASP HB2 H 1 2.443 0.004 . 2 . . . . . 2 Asp HB2 . 27397 2
11 . 2 . 2 2 2 ASP HB3 H 1 2.647 0.003 . 2 . . . . . 2 Asp HB3 . 27397 2
12 . 2 . 2 2 2 ASP C C 13 173.777 0.000 . 1 . . . . . 2 Asp C . 27397 2
13 . 2 . 2 2 2 ASP CA C 13 52.903 0.000 . 1 . . . . . 2 Asp CA . 27397 2
14 . 2 . 2 2 2 ASP CB C 13 39.025 0.001 . 1 . . . . . 2 Asp CB . 27397 2
15 . 2 . 2 2 2 ASP N N 15 124.927 0.000 . 1 . . . . . 2 Asp N . 27397 2
16 . 2 . 2 3 3 PRO HA H 1 4.649 0.009 . 1 . . . . . 3 Pro HA . 27397 2
17 . 2 . 2 3 3 PRO HB2 H 1 1.839 0.004 . 2 . . . . . 3 Pro HB2 . 27397 2
18 . 2 . 2 3 3 PRO HB3 H 1 1.604 0.027 . 2 . . . . . 3 Pro HB3 . 27397 2
19 . 2 . 2 3 3 PRO HG2 H 1 2.002 0.005 . 2 . . . . . 3 Pro HG2 . 27397 2
20 . 2 . 2 3 3 PRO HG3 H 1 1.813 0.033 . 2 . . . . . 3 Pro HG3 . 27397 2
21 . 2 . 2 3 3 PRO HD2 H 1 3.584 0.004 . 2 . . . . . 3 Pro HD2 . 27397 2
22 . 2 . 2 3 3 PRO HD3 H 1 3.812 0.003 . 2 . . . . . 3 Pro HD3 . 27397 2
23 . 2 . 2 3 3 PRO C C 13 177.475 0.000 . 1 . . . . . 3 Pro C . 27397 2
24 . 2 . 2 3 3 PRO CA C 13 62.723 0.191 . 1 . . . . . 3 Pro CA . 27397 2
25 . 2 . 2 3 3 PRO CB C 13 31.794 0.000 . 1 . . . . . 3 Pro CB . 27397 2
26 . 2 . 2 3 3 PRO CD C 13 50.034 0.002 . 1 . . . . . 3 Pro CD . 27397 2
27 . 2 . 2 4 4 LEU H H 1 8.359 0.003 . 1 . . . . . 4 Leu H . 27397 2
28 . 2 . 2 4 4 LEU HA H 1 4.393 0.014 . 1 . . . . . 4 Leu HA . 27397 2
29 . 2 . 2 4 4 LEU HB2 H 1 1.603 0.013 . 2 . . . . . 4 Leu HB2 . 27397 2
30 . 2 . 2 4 4 LEU HB3 H 1 1.597 0.019 . 2 . . . . . 4 Leu HB3 . 27397 2
31 . 2 . 2 4 4 LEU C C 13 175.487 0.004 . 1 . . . . . 4 Leu C . 27397 2
32 . 2 . 2 4 4 LEU CA C 13 53.770 0.025 . 1 . . . . . 4 Leu CA . 27397 2
33 . 2 . 2 4 4 LEU CB C 13 42.979 0.053 . 1 . . . . . 4 Leu CB . 27397 2
34 . 2 . 2 4 4 LEU N N 15 123.144 0.000 . 1 . . . . . 4 Leu N . 27397 2
35 . 2 . 2 5 5 VAL H H 1 8.224 0.006 . 1 . . . . . 5 Val H . 27397 2
36 . 2 . 2 5 5 VAL HA H 1 4.425 0.001 . 1 . . . . . 5 Val HA . 27397 2
37 . 2 . 2 5 5 VAL HB H 1 1.812 0.009 . 1 . . . . . 5 Val HB . 27397 2
38 . 2 . 2 5 5 VAL HG11 H 1 0.782 0.012 . 2 . . . . . 5 Val HG11 . 27397 2
39 . 2 . 2 5 5 VAL HG12 H 1 0.782 0.012 . 2 . . . . . 5 Val HG12 . 27397 2
40 . 2 . 2 5 5 VAL HG13 H 1 0.782 0.012 . 2 . . . . . 5 Val HG13 . 27397 2
41 . 2 . 2 5 5 VAL HG21 H 1 0.831 0.043 . 2 . . . . . 5 Val HG21 . 27397 2
42 . 2 . 2 5 5 VAL HG22 H 1 0.831 0.043 . 2 . . . . . 5 Val HG22 . 27397 2
43 . 2 . 2 5 5 VAL HG23 H 1 0.831 0.043 . 2 . . . . . 5 Val HG23 . 27397 2
44 . 2 . 2 5 5 VAL C C 13 174.680 0.008 . 1 . . . . . 5 Val C . 27397 2
45 . 2 . 2 5 5 VAL CA C 13 61.310 0.000 . 1 . . . . . 5 Val CA . 27397 2
46 . 2 . 2 5 5 VAL CB C 13 33.793 0.000 . 1 . . . . . 5 Val CB . 27397 2
47 . 2 . 2 5 5 VAL N N 15 121.079 0.000 . 1 . . . . . 5 Val N . 27397 2
48 . 2 . 2 6 6 ILE H H 1 8.975 0.005 . 1 . . . . . 6 Ile H . 27397 2
49 . 2 . 2 6 6 ILE HA H 1 4.154 0.003 . 1 . . . . . 6 Ile HA . 27397 2
50 . 2 . 2 6 6 ILE HB H 1 1.141 0.011 . 1 . . . . . 6 Ile HB . 27397 2
51 . 2 . 2 6 6 ILE HG12 H 1 0.878 0.015 . 2 . . . . . 6 Ile HG12 . 27397 2
52 . 2 . 2 6 6 ILE HG13 H 1 0.605 0.007 . 2 . . . . . 6 Ile HG13 . 27397 2
53 . 2 . 2 6 6 ILE HG21 H 1 -0.031 0.006 . 1 . . . . . 6 Ile HG21 . 27397 2
54 . 2 . 2 6 6 ILE HG22 H 1 -0.031 0.006 . 1 . . . . . 6 Ile HG22 . 27397 2
55 . 2 . 2 6 6 ILE HG23 H 1 -0.031 0.006 . 1 . . . . . 6 Ile HG23 . 27397 2
56 . 2 . 2 6 6 ILE HD11 H 1 0.300 0.009 . 1 . . . . . 6 Ile HD11 . 27397 2
57 . 2 . 2 6 6 ILE HD12 H 1 0.300 0.009 . 1 . . . . . 6 Ile HD12 . 27397 2
58 . 2 . 2 6 6 ILE HD13 H 1 0.300 0.009 . 1 . . . . . 6 Ile HD13 . 27397 2
59 . 2 . 2 6 6 ILE C C 13 175.262 0.003 . 1 . . . . . 6 Ile C . 27397 2
60 . 2 . 2 6 6 ILE CA C 13 58.467 0.000 . 1 . . . . . 6 Ile CA . 27397 2
61 . 2 . 2 6 6 ILE CB C 13 36.301 0.042 . 1 . . . . . 6 Ile CB . 27397 2
62 . 2 . 2 6 6 ILE CD1 C 13 11.575 0.000 . 1 . . . . . 6 Ile CD1 . 27397 2
63 . 2 . 2 6 6 ILE N N 15 127.845 0.000 . 1 . . . . . 6 Ile N . 27397 2
64 . 2 . 2 7 7 SER H H 1 8.799 0.005 . 1 . . . . . 7 Ser H . 27397 2
65 . 2 . 2 7 7 SER HA H 1 5.206 0.003 . 1 . . . . . 7 Ser HA . 27397 2
66 . 2 . 2 7 7 SER HB2 H 1 4.009 0.007 . 2 . . . . . 7 Ser HB2 . 27397 2
67 . 2 . 2 7 7 SER HB3 H 1 3.793 0.004 . 2 . . . . . 7 Ser HB3 . 27397 2
68 . 2 . 2 7 7 SER C C 13 173.794 0.000 . 1 . . . . . 7 Ser C . 27397 2
69 . 2 . 2 7 7 SER CA C 13 57.657 0.036 . 1 . . . . . 7 Ser CA . 27397 2
70 . 2 . 2 7 7 SER CB C 13 65.050 0.044 . 1 . . . . . 7 Ser CB . 27397 2
71 . 2 . 2 7 7 SER N N 15 120.303 0.000 . 1 . . . . . 7 Ser N . 27397 2
72 . 2 . 2 8 8 SER H H 1 8.188 0.008 . 1 . . . . . 8 Ser H . 27397 2
73 . 2 . 2 8 8 SER HA H 1 4.917 0.004 . 1 . . . . . 8 Ser HA . 27397 2
74 . 2 . 2 8 8 SER HB2 H 1 3.942 0.010 . 2 . . . . . 8 Ser HB2 . 27397 2
75 . 2 . 2 8 8 SER HB3 H 1 3.925 0.030 . 2 . . . . . 8 Ser HB3 . 27397 2
76 . 2 . 2 8 8 SER C C 13 177.880 0.000 . 1 . . . . . 8 Ser C . 27397 2
77 . 2 . 2 8 8 SER CA C 13 57.204 0.018 . 1 . . . . . 8 Ser CA . 27397 2
78 . 2 . 2 8 8 SER CB C 13 65.436 0.035 . 1 . . . . . 8 Ser CB . 27397 2
79 . 2 . 2 8 8 SER N N 15 116.973 0.000 . 1 . . . . . 8 Ser N . 27397 2
80 . 2 . 2 9 9 GLY H H 1 8.109 0.004 . 1 . . . . . 9 Gly H . 27397 2
81 . 2 . 2 9 9 GLY HA2 H 1 3.344 0.010 . 2 . . . . . 9 Gly HA2 . 27397 2
82 . 2 . 2 9 9 GLY HA3 H 1 5.459 0.005 . 2 . . . . . 9 Gly HA3 . 27397 2
83 . 2 . 2 9 9 GLY C C 13 173.746 0.000 . 1 . . . . . 9 Gly C . 27397 2
84 . 2 . 2 9 9 GLY CA C 13 43.785 0.193 . 1 . . . . . 9 Gly CA . 27397 2
85 . 2 . 2 9 9 GLY N N 15 106.507 0.000 . 1 . . . . . 9 Gly N . 27397 2
86 . 2 . 2 10 10 ASN H H 1 8.571 0.003 . 1 . . . . . 10 Asn H . 27397 2
87 . 2 . 2 10 10 ASN HA H 1 4.781 0.006 . 1 . . . . . 10 Asn HA . 27397 2
88 . 2 . 2 10 10 ASN HB2 H 1 2.705 0.008 . 2 . . . . . 10 Asn HB2 . 27397 2
89 . 2 . 2 10 10 ASN HB3 H 1 2.650 0.006 . 2 . . . . . 10 Asn HB3 . 27397 2
90 . 2 . 2 10 10 ASN HD21 H 1 6.754 0.001 . 1 . . . . . 10 Asn HD21 . 27397 2
91 . 2 . 2 10 10 ASN HD22 H 1 7.669 0.001 . 1 . . . . . 10 Asn HD22 . 27397 2
92 . 2 . 2 10 10 ASN C C 13 174.637 0.003 . 1 . . . . . 10 Asn C . 27397 2
93 . 2 . 2 10 10 ASN CA C 13 52.104 0.000 . 1 . . . . . 10 Asn CA . 27397 2
94 . 2 . 2 10 10 ASN CB C 13 38.368 0.073 . 1 . . . . . 10 Asn CB . 27397 2
95 . 2 . 2 10 10 ASN N N 15 119.143 0.000 . 1 . . . . . 10 Asn N . 27397 2
96 . 2 . 2 10 10 ASN ND2 N 15 110.507 0.001 . 1 . . . . . 10 Asn ND2 . 27397 2
97 . 2 . 2 11 11 ASP H H 1 8.668 0.003 . 1 . . . . . 11 Asp H . 27397 2
98 . 2 . 2 11 11 ASP HA H 1 4.621 0.003 . 1 . . . . . 11 Asp HA . 27397 2
99 . 2 . 2 11 11 ASP HB2 H 1 2.493 0.003 . 2 . . . . . 11 Asp HB2 . 27397 2
100 . 2 . 2 11 11 ASP HB3 H 1 2.780 0.005 . 2 . . . . . 11 Asp HB3 . 27397 2
101 . 2 . 2 11 11 ASP C C 13 176.074 0.006 . 1 . . . . . 11 Asp C . 27397 2
102 . 2 . 2 11 11 ASP CA C 13 54.518 0.063 . 1 . . . . . 11 Asp CA . 27397 2
103 . 2 . 2 11 11 ASP CB C 13 40.477 0.104 . 1 . . . . . 11 Asp CB . 27397 2
104 . 2 . 2 11 11 ASP N N 15 122.032 0.000 . 1 . . . . . 11 Asp N . 27397 2
105 . 2 . 2 12 12 ARG H H 1 7.879 0.003 . 1 . . . . . 12 Arg H . 27397 2
106 . 2 . 2 12 12 ARG HA H 1 4.301 0.002 . 1 . . . . . 12 Arg HA . 27397 2
107 . 2 . 2 12 12 ARG HB2 H 1 1.896 0.004 . 2 . . . . . 12 Arg HB2 . 27397 2
108 . 2 . 2 12 12 ARG HB3 H 1 1.756 0.005 . 2 . . . . . 12 Arg HB3 . 27397 2
109 . 2 . 2 12 12 ARG HG2 H 1 1.600 0.002 . 2 . . . . . 12 Arg HG2 . 27397 2
110 . 2 . 2 12 12 ARG HG3 H 1 1.753 0.003 . 2 . . . . . 12 Arg HG3 . 27397 2
111 . 2 . 2 12 12 ARG HD2 H 1 3.169 0.003 . 1 . . . . . 12 Arg HD2 . 27397 2
112 . 2 . 2 12 12 ARG HE H 1 7.208 0.002 . 1 . . . . . 12 Arg HE . 27397 2
113 . 2 . 2 12 12 ARG C C 13 175.160 0.001 . 1 . . . . . 12 Arg C . 27397 2
114 . 2 . 2 12 12 ARG CA C 13 55.620 0.000 . 1 . . . . . 12 Arg CA . 27397 2
115 . 2 . 2 12 12 ARG CB C 13 30.287 0.047 . 1 . . . . . 12 Arg CB . 27397 2
116 . 2 . 2 12 12 ARG N N 15 119.650 0.000 . 1 . . . . . 12 Arg N . 27397 2
117 . 2 . 2 12 12 ARG NE N 15 84.770 0.000 . 1 . . . . . 12 Arg NE . 27397 2
118 . 2 . 2 13 13 ALA H H 1 7.845 0.004 . 1 . . . . . 13 Ala H . 27397 2
119 . 2 . 2 13 13 ALA HA H 1 4.033 0.002 . 1 . . . . . 13 Ala HA . 27397 2
120 . 2 . 2 13 13 ALA HB1 H 1 1.292 0.001 . 1 . . . . . 13 Ala HB1 . 27397 2
121 . 2 . 2 13 13 ALA HB2 H 1 1.292 0.001 . 1 . . . . . 13 Ala HB2 . 27397 2
122 . 2 . 2 13 13 ALA HB3 H 1 1.292 0.001 . 1 . . . . . 13 Ala HB3 . 27397 2
123 . 2 . 2 13 13 ALA C C 13 176.618 0.000 . 1 . . . . . 13 Ala C . 27397 2
124 . 2 . 2 13 13 ALA CA C 13 53.712 0.000 . 1 . . . . . 13 Ala CA . 27397 2
125 . 2 . 2 13 13 ALA CB C 13 19.610 0.000 . 1 . . . . . 13 Ala CB . 27397 2
126 . 2 . 2 13 13 ALA N N 15 130.535 0.000 . 1 . . . . . 13 Ala N . 27397 2
stop_
save_