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 36271
_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-1H NOESY' 1 $BPI_38H isotropic 36271 1
2 '2D 1H-1H TOCSY' 1 $BPI_38H isotropic 36271 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 GLY HA2 H 1 4.04 0 . 2 . . . . A 1 GLY HA2 . 36271 1
2 . 1 . 1 1 1 GLY HA3 H 1 4.04 0 . 2 . . . . A 1 GLY HA3 . 36271 1
3 . 1 . 1 2 2 ILE H H 1 8.53 0.002 . 1 . . . . A 2 ILE H . 36271 1
4 . 1 . 1 2 2 ILE HA H 1 4.019 0.002 . 1 . . . . A 2 ILE HA . 36271 1
5 . 1 . 1 2 2 ILE HB H 1 1.165 0.002 . 1 . . . . A 2 ILE HB . 36271 1
6 . 1 . 1 2 2 ILE HG12 H 1 0.734 0.014 . 2 . . . . A 2 ILE HG12 . 36271 1
7 . 1 . 1 2 2 ILE HG13 H 1 0.734 0.014 . 2 . . . . A 2 ILE HG13 . 36271 1
8 . 1 . 1 2 2 ILE HD11 H 1 0.617 0.008 . 1 . . . . A 2 ILE HD11 . 36271 1
9 . 1 . 1 2 2 ILE HD12 H 1 0.617 0.008 . 1 . . . . A 2 ILE HD12 . 36271 1
10 . 1 . 1 2 2 ILE HD13 H 1 0.617 0.008 . 1 . . . . A 2 ILE HD13 . 36271 1
11 . 1 . 1 3 3 VAL H H 1 8.127 0.02 . 1 . . . . A 3 VAL H . 36271 1
12 . 1 . 1 3 3 VAL HA H 1 3.648 0.003 . 1 . . . . A 3 VAL HA . 36271 1
13 . 1 . 1 3 3 VAL HB H 1 1.927 0.001 . 1 . . . . A 3 VAL HB . 36271 1
14 . 1 . 1 3 3 VAL HG11 H 1 0.895 0.008 . 2 . . . . A 3 VAL HG11 . 36271 1
15 . 1 . 1 3 3 VAL HG12 H 1 0.895 0.008 . 2 . . . . A 3 VAL HG12 . 36271 1
16 . 1 . 1 3 3 VAL HG13 H 1 0.895 0.008 . 2 . . . . A 3 VAL HG13 . 36271 1
17 . 1 . 1 4 4 GLU H H 1 8.159 0.002 . 1 . . . . A 4 GLU H . 36271 1
18 . 1 . 1 4 4 GLU HA H 1 4.172 0.002 . 1 . . . . A 4 GLU HA . 36271 1
19 . 1 . 1 4 4 GLU HB2 H 1 2.073 0.009 . 1 . . . . A 4 GLU HB2 . 36271 1
20 . 1 . 1 4 4 GLU HB3 H 1 2.073 0.009 . 1 . . . . A 4 GLU HB3 . 36271 1
21 . 1 . 1 4 4 GLU HG2 H 1 2.447 0.009 . 2 . . . . A 4 GLU HG2 . 36271 1
22 . 1 . 1 4 4 GLU HG3 H 1 2.447 0.009 . 2 . . . . A 4 GLU HG3 . 36271 1
23 . 1 . 1 5 5 GLN H H 1 8.36 0.002 . 1 . . . . A 5 GLN H . 36271 1
24 . 1 . 1 5 5 GLN HA H 1 4.043 0.007 . 1 . . . . A 5 GLN HA . 36271 1
25 . 1 . 1 5 5 GLN HB2 H 1 2.098 0.002 . 2 . . . . A 5 GLN HB2 . 36271 1
26 . 1 . 1 5 5 GLN HB3 H 1 2.098 0.002 . 2 . . . . A 5 GLN HB3 . 36271 1
27 . 1 . 1 5 5 GLN HG2 H 1 2.378 0.004 . 2 . . . . A 5 GLN HG2 . 36271 1
28 . 1 . 1 5 5 GLN HG3 H 1 2.378 0.004 . 2 . . . . A 5 GLN HG3 . 36271 1
29 . 1 . 1 6 6 CYS H H 1 8.273 0.022 . 1 . . . . A 6 CYS H . 36271 1
30 . 1 . 1 6 6 CYS HA H 1 4.859 0.003 . 1 . . . . A 6 CYS HA . 36271 1
31 . 1 . 1 6 6 CYS HB2 H 1 2.914 0.002 . 2 . . . . A 6 CYS HB2 . 36271 1
32 . 1 . 1 6 6 CYS HB3 H 1 2.914 0.002 . 2 . . . . A 6 CYS HB3 . 36271 1
33 . 1 . 1 7 7 CYS H H 1 8.212 0.014 . 1 . . . . A 7 CYS H . 36271 1
34 . 1 . 1 7 7 CYS HA H 1 4.798 0.004 . 1 . . . . A 7 CYS HA . 36271 1
35 . 1 . 1 7 7 CYS HB2 H 1 2.883 0.023 . 1 . . . . A 7 CYS HB2 . 36271 1
36 . 1 . 1 7 7 CYS HB3 H 1 3.097 0.023 . 1 . . . . A 7 CYS HB3 . 36271 1
37 . 1 . 1 8 8 ALA H H 1 8.273 0 . 1 . . . . A 8 ALA H . 36271 1
38 . 1 . 1 8 8 ALA HA H 1 4.267 0.001 . 1 . . . . A 8 ALA HA . 36271 1
39 . 1 . 1 8 8 ALA HB1 H 1 1.387 0.004 . 1 . . . . A 8 ALA HB1 . 36271 1
40 . 1 . 1 8 8 ALA HB2 H 1 1.387 0.004 . 1 . . . . A 8 ALA HB2 . 36271 1
41 . 1 . 1 8 8 ALA HB3 H 1 1.387 0.004 . 1 . . . . A 8 ALA HB3 . 36271 1
42 . 1 . 1 9 9 SER H H 1 7.84 0.04 . 1 . . . . A 9 SER H . 36271 1
43 . 1 . 1 9 9 SER HA H 1 4.698 0.03 . 1 . . . . A 9 SER HA . 36271 1
44 . 1 . 1 9 9 SER HB2 H 1 3.878 0.002 . 2 . . . . A 9 SER HB2 . 36271 1
45 . 1 . 1 9 9 SER HB3 H 1 3.878 0.003 . 2 . . . . A 9 SER HB3 . 36271 1
46 . 1 . 1 10 10 VAL H H 1 7.854 0.02 . 1 . . . . A 10 VAL H . 36271 1
47 . 1 . 1 10 10 VAL HA H 1 4.32 0.003 . 1 . . . . A 10 VAL HA . 36271 1
48 . 1 . 1 10 10 VAL HB H 1 1.758 0.001 . 1 . . . . A 10 VAL HB . 36271 1
49 . 1 . 1 10 10 VAL HG11 H 1 0.478 0.008 . 2 . . . . A 10 VAL HG11 . 36271 1
50 . 1 . 1 10 10 VAL HG12 H 1 0.478 0.008 . 2 . . . . A 10 VAL HG12 . 36271 1
51 . 1 . 1 10 10 VAL HG13 H 1 0.478 0.008 . 2 . . . . A 10 VAL HG13 . 36271 1
52 . 1 . 1 10 10 VAL HG21 H 1 0.62 0.008 . 2 . . . . A 10 VAL HG21 . 36271 1
53 . 1 . 1 10 10 VAL HG22 H 1 0.62 0.008 . 2 . . . . A 10 VAL HG22 . 36271 1
54 . 1 . 1 10 10 VAL HG23 H 1 0.62 0.008 . 2 . . . . A 10 VAL HG23 . 36271 1
55 . 1 . 1 11 11 CYS H H 1 9.623 0.002 . 1 . . . . A 11 CYS H . 36271 1
56 . 1 . 1 11 11 CYS HA H 1 4.317 0.012 . 1 . . . . A 11 CYS HA . 36271 1
57 . 1 . 1 12 12 SER H H 1 8.784 0.022 . 1 . . . . A 12 SER H . 36271 1
58 . 1 . 1 12 12 SER HA H 1 4.585 0.005 . 1 . . . . A 12 SER HA . 36271 1
59 . 1 . 1 12 12 SER HB2 H 1 4.276 0.002 . 1 . . . . A 12 SER HB2 . 36271 1
60 . 1 . 1 12 12 SER HB3 H 1 3.978 0.001 . 1 . . . . A 12 SER HB3 . 36271 1
61 . 1 . 1 13 13 LEU H H 1 8.62 0.002 . 1 . . . . A 13 LEU H . 36271 1
62 . 1 . 1 13 13 LEU HA H 1 3.859 0.01 . 1 . . . . A 13 LEU HA . 36271 1
63 . 1 . 1 13 13 LEU HB2 H 1 1.362 0.004 . 1 . . . . A 13 LEU HB2 . 36271 1
64 . 1 . 1 13 13 LEU HB3 H 1 1.362 0.004 . 1 . . . . A 13 LEU HB3 . 36271 1
65 . 1 . 1 13 13 LEU HG H 1 1.308 0.003 . 1 . . . . A 13 LEU HG . 36271 1
66 . 1 . 1 13 13 LEU HD11 H 1 0.792 0.02 . 2 . . . . A 13 LEU HD11 . 36271 1
67 . 1 . 1 13 13 LEU HD12 H 1 0.792 0.02 . 2 . . . . A 13 LEU HD12 . 36271 1
68 . 1 . 1 13 13 LEU HD13 H 1 0.792 0.02 . 2 . . . . A 13 LEU HD13 . 36271 1
69 . 1 . 1 13 13 LEU HD21 H 1 0.722 0.02 . 2 . . . . A 13 LEU HD21 . 36271 1
70 . 1 . 1 13 13 LEU HD22 H 1 0.722 0.02 . 2 . . . . A 13 LEU HD22 . 36271 1
71 . 1 . 1 13 13 LEU HD23 H 1 0.722 0.02 . 2 . . . . A 13 LEU HD23 . 36271 1
72 . 1 . 1 14 14 TYR H H 1 7.523 0.025 . 1 . . . . A 14 TYR H . 36271 1
73 . 1 . 1 14 14 TYR HA H 1 4.145 0.002 . 1 . . . . A 14 TYR HA . 36271 1
74 . 1 . 1 14 14 TYR HB2 H 1 2.965 0.002 . 1 . . . . A 14 TYR HB2 . 36271 1
75 . 1 . 1 14 14 TYR HB3 H 1 2.896 0.002 . 1 . . . . A 14 TYR HB3 . 36271 1
76 . 1 . 1 14 14 TYR HD1 H 1 7.033 0.002 . 3 . . . . A 14 TYR HD1 . 36271 1
77 . 1 . 1 14 14 TYR HD2 H 1 7.033 0.002 . 3 . . . . A 14 TYR HD2 . 36271 1
78 . 1 . 1 14 14 TYR HE1 H 1 6.814 0.002 . 3 . . . . A 14 TYR HE1 . 36271 1
79 . 1 . 1 14 14 TYR HE2 H 1 6.814 0.002 . 3 . . . . A 14 TYR HE2 . 36271 1
80 . 1 . 1 15 15 GLN H H 1 7.555 0.042 . 1 . . . . A 15 GLN H . 36271 1
81 . 1 . 1 15 15 GLN HA H 1 3.976 0.005 . 1 . . . . A 15 GLN HA . 36271 1
82 . 1 . 1 15 15 GLN HB2 H 1 2.008 0.007 . 2 . . . . A 15 GLN HB2 . 36271 1
83 . 1 . 1 15 15 GLN HB3 H 1 2.008 0.007 . 2 . . . . A 15 GLN HB3 . 36271 1
84 . 1 . 1 15 15 GLN HG2 H 1 2.364 0.006 . 2 . . . . A 15 GLN HG2 . 36271 1
85 . 1 . 1 15 15 GLN HG3 H 1 2.364 0.006 . 2 . . . . A 15 GLN HG3 . 36271 1
86 . 1 . 1 15 15 GLN HE21 H 1 7.027 0.002 . 2 . . . . A 15 GLN HE21 . 36271 1
87 . 1 . 1 15 15 GLN HE22 H 1 7.498 0.002 . 2 . . . . A 15 GLN HE22 . 36271 1
88 . 1 . 1 16 16 LEU H H 1 8.076 0 . 1 . . . . A 16 LEU H . 36271 1
89 . 1 . 1 16 16 LEU HA H 1 4.208 0.024 . 1 . . . . A 16 LEU HA . 36271 1
90 . 1 . 1 16 16 LEU HB2 H 1 1.518 0.001 . 1 . . . . A 16 LEU HB2 . 36271 1
91 . 1 . 1 16 16 LEU HB3 H 1 1.897 0 . 1 . . . . A 16 LEU HB3 . 36271 1
92 . 1 . 1 16 16 LEU HG H 1 1.715 0 . 1 . . . . A 16 LEU HG . 36271 1
93 . 1 . 1 16 16 LEU HD11 H 1 0.792 0 . 2 . . . . A 16 LEU HD11 . 36271 1
94 . 1 . 1 16 16 LEU HD12 H 1 0.792 0 . 2 . . . . A 16 LEU HD12 . 36271 1
95 . 1 . 1 16 16 LEU HD13 H 1 0.792 0 . 2 . . . . A 16 LEU HD13 . 36271 1
96 . 1 . 1 16 16 LEU HD21 H 1 0.847 0 . 2 . . . . A 16 LEU HD21 . 36271 1
97 . 1 . 1 16 16 LEU HD22 H 1 0.847 0 . 2 . . . . A 16 LEU HD22 . 36271 1
98 . 1 . 1 16 16 LEU HD23 H 1 0.847 0 . 2 . . . . A 16 LEU HD23 . 36271 1
99 . 1 . 1 17 17 GLU H H 1 8.076 0.024 . 1 . . . . A 17 GLU H . 36271 1
100 . 1 . 1 17 17 GLU HA H 1 4.171 0.002 . 1 . . . . A 17 GLU HA . 36271 1
101 . 1 . 1 17 17 GLU HB2 H 1 2.084 0.001 . 2 . . . . A 17 GLU HB2 . 36271 1
102 . 1 . 1 17 17 GLU HB3 H 1 2.084 0.001 . 2 . . . . A 17 GLU HB3 . 36271 1
103 . 1 . 1 17 17 GLU HG2 H 1 2.554 0.002 . 1 . . . . A 17 GLU HG2 . 36271 1
104 . 1 . 1 17 17 GLU HG3 H 1 2.341 0.001 . 1 . . . . A 17 GLU HG3 . 36271 1
105 . 1 . 1 18 18 ASN H H 1 7.409 0.003 . 1 . . . . A 18 ASN H . 36271 1
106 . 1 . 1 18 18 ASN HA H 1 4.475 0.012 . 1 . . . . A 18 ASN HA . 36271 1
107 . 1 . 1 18 18 ASN HB2 H 1 2.519 0 . 2 . . . . A 18 ASN HB2 . 36271 1
108 . 1 . 1 18 18 ASN HB3 H 1 2.595 0 . 2 . . . . A 18 ASN HB3 . 36271 1
109 . 1 . 1 18 18 ASN HD21 H 1 6.53 0.004 . 2 . . . . A 18 ASN HD21 . 36271 1
110 . 1 . 1 18 18 ASN HD22 H 1 7.17 0.001 . 2 . . . . A 18 ASN HD22 . 36271 1
111 . 1 . 1 19 19 TYR H H 1 7.96 0.001 . 1 . . . . A 19 TYR H . 36271 1
112 . 1 . 1 19 19 TYR HA H 1 4.459 0.005 . 1 . . . . A 19 TYR HA . 36271 1
113 . 1 . 1 19 19 TYR HB2 H 1 3.343 0.005 . 2 . . . . A 19 TYR HB2 . 36271 1
114 . 1 . 1 19 19 TYR HB3 H 1 2.988 0.002 . 2 . . . . A 19 TYR HB3 . 36271 1
115 . 1 . 1 19 19 TYR HD1 H 1 7.349 0.012 . 3 . . . . A 19 TYR HD1 . 36271 1
116 . 1 . 1 19 19 TYR HD2 H 1 7.349 0.012 . 3 . . . . A 19 TYR HD2 . 36271 1
117 . 1 . 1 19 19 TYR HE1 H 1 6.745 0.001 . 3 . . . . A 19 TYR HE1 . 36271 1
118 . 1 . 1 19 19 TYR HE2 H 1 6.745 0.001 . 3 . . . . A 19 TYR HE2 . 36271 1
119 . 1 . 1 20 20 CYS H H 1 7.443 0.007 . 1 . . . . A 20 CYS H . 36271 1
120 . 1 . 1 20 20 CYS HA H 1 4.994 0.005 . 1 . . . . A 20 CYS HA . 36271 1
121 . 1 . 1 20 20 CYS HB2 H 1 2.861 0 . 1 . . . . A 20 CYS HB2 . 36271 1
122 . 1 . 1 20 20 CYS HB3 H 1 3.178 0 . 1 . . . . A 20 CYS HB3 . 36271 1
123 . 1 . 1 21 21 ASN H H 1 8.275 0.002 . 1 . . . . A 21 ASN H . 36271 1
124 . 1 . 1 21 21 ASN HA H 1 4.696 0.002 . 1 . . . . A 21 ASN HA . 36271 1
125 . 1 . 1 21 21 ASN HB2 H 1 3.103 0.004 . 1 . . . . A 21 ASN HB2 . 36271 1
126 . 1 . 1 21 21 ASN HB3 H 1 2.827 0.004 . 1 . . . . A 21 ASN HB3 . 36271 1
127 . 1 . 1 21 21 ASN HD21 H 1 7.501 0.004 . 1 . . . . A 21 ASN HD21 . 36271 1
128 . 2 . 2 1 1 PHE HA H 1 4.261 0.004 . 1 . . . . B 1 PHE HA . 36271 1
129 . 2 . 2 1 1 PHE HB2 H 1 3.147 0.004 . 1 . . . . B 1 PHE HB2 . 36271 1
130 . 2 . 2 1 1 PHE HB3 H 1 3.147 0.004 . 1 . . . . B 1 PHE HB3 . 36271 1
131 . 2 . 2 1 1 PHE HD1 H 1 7.2 0.002 . 3 . . . . B 1 PHE HD1 . 36271 1
132 . 2 . 2 1 1 PHE HD2 H 1 7.2 0.002 . 3 . . . . B 1 PHE HD2 . 36271 1
133 . 2 . 2 1 1 PHE HE1 H 1 7.333 0.002 . 3 . . . . B 1 PHE HE1 . 36271 1
134 . 2 . 2 1 1 PHE HE2 H 1 7.333 0.002 . 3 . . . . B 1 PHE HE2 . 36271 1
135 . 2 . 2 2 2 VAL H H 1 8.188 0.004 . 1 . . . . B 2 VAL H . 36271 1
136 . 2 . 2 2 2 VAL HA H 1 4.103 0.003 . 1 . . . . B 2 VAL HA . 36271 1
137 . 2 . 2 2 2 VAL HB H 1 1.889 0.002 . 1 . . . . B 2 VAL HB . 36271 1
138 . 2 . 2 2 2 VAL HG11 H 1 0.835 0.001 . 2 . . . . B 2 VAL HG11 . 36271 1
139 . 2 . 2 2 2 VAL HG12 H 1 0.835 0.001 . 2 . . . . B 2 VAL HG12 . 36271 1
140 . 2 . 2 2 2 VAL HG13 H 1 0.835 0.001 . 2 . . . . B 2 VAL HG13 . 36271 1
141 . 2 . 2 3 3 ASN H H 1 8.493 0.002 . 1 . . . . B 3 ASN H . 36271 1
142 . 2 . 2 3 3 ASN HA H 1 4.674 0.002 . 1 . . . . B 3 ASN HA . 36271 1
143 . 2 . 2 3 3 ASN HB2 H 1 2.827 0.004 . 1 . . . . B 3 ASN HB2 . 36271 1
144 . 2 . 2 3 3 ASN HB3 H 1 2.827 0.004 . 1 . . . . B 3 ASN HB3 . 36271 1
145 . 2 . 2 3 3 ASN HD21 H 1 6.904 0.004 . 1 . . . . B 3 ASN HD21 . 36271 1
146 . 2 . 2 3 3 ASN HD22 H 1 7.528 0.004 . 1 . . . . B 3 ASN HD22 . 36271 1
147 . 2 . 2 4 4 GLN H H 1 8.415 0.001 . 1 . . . . B 4 GLN H . 36271 1
148 . 2 . 2 4 4 GLN HA H 1 4.469 0.007 . 1 . . . . B 4 GLN HA . 36271 1
149 . 2 . 2 4 4 GLN HB2 H 1 2.079 0.001 . 1 . . . . B 4 GLN HB2 . 36271 1
150 . 2 . 2 4 4 GLN HB3 H 1 2.082 0.007 . 1 . . . . B 4 GLN HB3 . 36271 1
151 . 2 . 2 4 4 GLN HG2 H 1 2.235 0.001 . 2 . . . . B 4 GLN HG2 . 36271 1
152 . 2 . 2 4 4 GLN HG3 H 1 2.235 0.001 . 2 . . . . B 4 GLN HG3 . 36271 1
153 . 2 . 2 4 4 GLN HE21 H 1 7.343 0.001 . 1 . . . . B 4 GLN HE21 . 36271 1
154 . 2 . 2 4 4 GLN HE22 H 1 6.796 0.001 . 1 . . . . B 4 GLN HE22 . 36271 1
155 . 2 . 2 5 5 HIS H H 1 8.633 0.001 . 1 . . . . B 5 HIS H . 36271 1
156 . 2 . 2 5 5 HIS HA H 1 4.494 0.003 . 1 . . . . B 5 HIS HA . 36271 1
157 . 2 . 2 5 5 HIS HB2 H 1 3.514 0.001 . 2 . . . . B 5 HIS HB2 . 36271 1
158 . 2 . 2 5 5 HIS HB3 H 1 3.233 0.002 . 2 . . . . B 5 HIS HB3 . 36271 1
159 . 2 . 2 5 5 HIS HD2 H 1 7.318 0.003 . 1 . . . . B 5 HIS HD2 . 36271 1
160 . 2 . 2 6 6 LEU H H 1 8.982 0.002 . 1 . . . . B 6 LEU H . 36271 1
161 . 2 . 2 6 6 LEU HA H 1 4.521 0.002 . 1 . . . . B 6 LEU HA . 36271 1
162 . 2 . 2 6 6 LEU HB2 H 1 1.735 0.003 . 1 . . . . B 6 LEU HB2 . 36271 1
163 . 2 . 2 6 6 LEU HB3 H 1 1.735 0.003 . 1 . . . . B 6 LEU HB3 . 36271 1
164 . 2 . 2 6 6 LEU HG H 1 1.556 0 . 1 . . . . B 6 LEU HG . 36271 1
165 . 2 . 2 6 6 LEU HD11 H 1 0.728 0.004 . 1 . . . . B 6 LEU HD11 . 36271 1
166 . 2 . 2 6 6 LEU HD12 H 1 0.728 0.004 . 1 . . . . B 6 LEU HD12 . 36271 1
167 . 2 . 2 6 6 LEU HD13 H 1 0.728 0.004 . 1 . . . . B 6 LEU HD13 . 36271 1
168 . 2 . 2 6 6 LEU HD21 H 1 0.728 0.004 . 1 . . . . B 6 LEU HD21 . 36271 1
169 . 2 . 2 6 6 LEU HD22 H 1 0.728 0.004 . 1 . . . . B 6 LEU HD22 . 36271 1
170 . 2 . 2 6 6 LEU HD23 H 1 0.728 0.004 . 1 . . . . B 6 LEU HD23 . 36271 1
171 . 2 . 2 7 7 CYS H H 1 8.343 0.002 . 1 . . . . B 7 CYS H . 36271 1
172 . 2 . 2 7 7 CYS HA H 1 4.939 0.002 . 1 . . . . B 7 CYS HA . 36271 1
173 . 2 . 2 7 7 CYS HB2 H 1 2.944 0.002 . 1 . . . . B 7 CYS HB2 . 36271 1
174 . 2 . 2 7 7 CYS HB3 H 1 3.214 0.002 . 1 . . . . B 7 CYS HB3 . 36271 1
175 . 2 . 2 8 8 GLY H H 1 9.294 0.002 . 1 . . . . B 8 GLY H . 36271 1
176 . 2 . 2 8 8 GLY HA2 H 1 3.991 0.002 . 1 . . . . B 8 GLY HA2 . 36271 1
177 . 2 . 2 8 8 GLY HA3 H 1 3.826 0.002 . 1 . . . . B 8 GLY HA3 . 36271 1
178 . 2 . 2 9 9 SER H H 1 9.107 0.002 . 1 . . . . B 9 SER H . 36271 1
179 . 2 . 2 9 9 SER HA H 1 4.117 0.002 . 1 . . . . B 9 SER HA . 36271 1
180 . 2 . 2 9 9 SER HB2 H 1 3.882 0.002 . 1 . . . . B 9 SER HB2 . 36271 1
181 . 2 . 2 9 9 SER HB3 H 1 3.882 0.002 . 1 . . . . B 9 SER HB3 . 36271 1
182 . 2 . 2 10 10 HIS H H 1 8.003 0.002 . 1 . . . . B 10 HIS H . 36271 1
183 . 2 . 2 10 10 HIS HA H 1 4.51 0.002 . 1 . . . . B 10 HIS HA . 36271 1
184 . 2 . 2 10 10 HIS HB2 H 1 3.279 0.002 . 2 . . . . B 10 HIS HB2 . 36271 1
185 . 2 . 2 10 10 HIS HB3 H 1 3.552 0.002 . 2 . . . . B 10 HIS HB3 . 36271 1
186 . 2 . 2 10 10 HIS HD2 H 1 7.451 0.002 . 1 . . . . B 10 HIS HD2 . 36271 1
187 . 2 . 2 11 11 LEU H H 1 8.349 0.002 . 1 . . . . B 11 LEU H . 36271 1
188 . 2 . 2 11 11 LEU HA H 1 4.161 0.002 . 1 . . . . B 11 LEU HA . 36271 1
189 . 2 . 2 11 11 LEU HB2 H 1 1.525 0.002 . 1 . . . . B 11 LEU HB2 . 36271 1
190 . 2 . 2 11 11 LEU HB3 H 1 1.525 0.002 . 1 . . . . B 11 LEU HB3 . 36271 1
191 . 2 . 2 11 11 LEU HD11 H 1 0.864 0 . 1 . . . . B 11 LEU HD11 . 36271 1
192 . 2 . 2 11 11 LEU HD12 H 1 0.864 0 . 1 . . . . B 11 LEU HD12 . 36271 1
193 . 2 . 2 11 11 LEU HD13 H 1 0.864 0 . 1 . . . . B 11 LEU HD13 . 36271 1
194 . 2 . 2 11 11 LEU HD21 H 1 0.715 0 . 1 . . . . B 11 LEU HD21 . 36271 1
195 . 2 . 2 11 11 LEU HD22 H 1 0.715 0 . 1 . . . . B 11 LEU HD22 . 36271 1
196 . 2 . 2 11 11 LEU HD23 H 1 0.715 0 . 1 . . . . B 11 LEU HD23 . 36271 1
197 . 2 . 2 12 12 VAL H H 1 7.034 0.002 . 1 . . . . B 12 VAL H . 36271 1
198 . 2 . 2 12 12 VAL HA H 1 3.29 0.001 . 1 . . . . B 12 VAL HA . 36271 1
199 . 2 . 2 12 12 VAL HB H 1 2.03 0.002 . 1 . . . . B 12 VAL HB . 36271 1
200 . 2 . 2 12 12 VAL HG11 H 1 0.733 0.003 . 1 . . . . B 12 VAL HG11 . 36271 1
201 . 2 . 2 12 12 VAL HG12 H 1 0.733 0.003 . 1 . . . . B 12 VAL HG12 . 36271 1
202 . 2 . 2 12 12 VAL HG13 H 1 0.733 0.003 . 1 . . . . B 12 VAL HG13 . 36271 1
203 . 2 . 2 12 12 VAL HG21 H 1 0.917 0.003 . 1 . . . . B 12 VAL HG21 . 36271 1
204 . 2 . 2 12 12 VAL HG22 H 1 0.917 0.003 . 1 . . . . B 12 VAL HG22 . 36271 1
205 . 2 . 2 12 12 VAL HG23 H 1 0.917 0.003 . 1 . . . . B 12 VAL HG23 . 36271 1
206 . 2 . 2 13 13 GLU H H 1 7.912 0.002 . 1 . . . . B 13 GLU H . 36271 1
207 . 2 . 2 13 13 GLU HA H 1 4.103 0.002 . 1 . . . . B 13 GLU HA . 36271 1
208 . 2 . 2 13 13 GLU HB2 H 1 2.145 0.001 . 2 . . . . B 13 GLU HB2 . 36271 1
209 . 2 . 2 13 13 GLU HB3 H 1 2.145 0.001 . 2 . . . . B 13 GLU HB3 . 36271 1
210 . 2 . 2 13 13 GLU HG2 H 1 2.53 0.001 . 2 . . . . B 13 GLU HG2 . 36271 1
211 . 2 . 2 13 13 GLU HG3 H 1 2.53 0.001 . 2 . . . . B 13 GLU HG3 . 36271 1
212 . 2 . 2 14 14 ALA H H 1 7.716 0.001 . 1 . . . . B 14 ALA H . 36271 1
213 . 2 . 2 14 14 ALA HA H 1 4.069 0.002 . 1 . . . . B 14 ALA HA . 36271 1
214 . 2 . 2 14 14 ALA HB1 H 1 1.46 0.001 . 1 . . . . B 14 ALA HB1 . 36271 1
215 . 2 . 2 14 14 ALA HB2 H 1 1.46 0.001 . 1 . . . . B 14 ALA HB2 . 36271 1
216 . 2 . 2 14 14 ALA HB3 H 1 1.46 0.001 . 1 . . . . B 14 ALA HB3 . 36271 1
217 . 2 . 2 15 15 LEU H H 1 8.035 0.002 . 1 . . . . B 15 LEU H . 36271 1
218 . 2 . 2 15 15 LEU HA H 1 3.869 0.002 . 1 . . . . B 15 LEU HA . 36271 1
219 . 2 . 2 15 15 LEU HB2 H 1 1.331 0.001 . 1 . . . . B 15 LEU HB2 . 36271 1
220 . 2 . 2 15 15 LEU HB3 H 1 1.331 0.001 . 1 . . . . B 15 LEU HB3 . 36271 1
221 . 2 . 2 15 15 LEU HD11 H 1 0.663 0.001 . 2 . . . . B 15 LEU HD11 . 36271 1
222 . 2 . 2 15 15 LEU HD12 H 1 0.663 0.001 . 2 . . . . B 15 LEU HD12 . 36271 1
223 . 2 . 2 15 15 LEU HD13 H 1 0.663 0.001 . 2 . . . . B 15 LEU HD13 . 36271 1
224 . 2 . 2 15 15 LEU HD21 H 1 0.921 0.003 . 2 . . . . B 15 LEU HD21 . 36271 1
225 . 2 . 2 15 15 LEU HD22 H 1 0.921 0.003 . 2 . . . . B 15 LEU HD22 . 36271 1
226 . 2 . 2 15 15 LEU HD23 H 1 0.921 0.003 . 2 . . . . B 15 LEU HD23 . 36271 1
227 . 2 . 2 16 16 TYR H H 1 8.076 0.002 . 1 . . . . B 16 TYR H . 36271 1
228 . 2 . 2 16 16 TYR HA H 1 4.15 0.002 . 1 . . . . B 16 TYR HA . 36271 1
229 . 2 . 2 16 16 TYR HB2 H 1 2.965 0.001 . 1 . . . . B 16 TYR HB2 . 36271 1
230 . 2 . 2 16 16 TYR HB3 H 1 2.89 0.001 . 1 . . . . B 16 TYR HB3 . 36271 1
231 . 2 . 2 16 16 TYR HD1 H 1 6.754 0.002 . 3 . . . . B 16 TYR HD1 . 36271 1
232 . 2 . 2 16 16 TYR HD2 H 1 6.754 0.002 . 3 . . . . B 16 TYR HD2 . 36271 1
233 . 2 . 2 16 16 TYR HE1 H 1 7.31 0.002 . 3 . . . . B 16 TYR HE1 . 36271 1
234 . 2 . 2 16 16 TYR HE2 H 1 7.31 0.002 . 3 . . . . B 16 TYR HE2 . 36271 1
235 . 2 . 2 17 17 LEU H H 1 7.817 0.002 . 1 . . . . B 17 LEU H . 36271 1
236 . 2 . 2 17 17 LEU HA H 1 4.082 0.002 . 1 . . . . B 17 LEU HA . 36271 1
237 . 2 . 2 17 17 LEU HB2 H 1 1.654 0.002 . 2 . . . . B 17 LEU HB2 . 36271 1
238 . 2 . 2 17 17 LEU HB3 H 1 1.654 0.002 . 2 . . . . B 17 LEU HB3 . 36271 1
239 . 2 . 2 17 17 LEU HG H 1 1.801 0.002 . 1 . . . . B 17 LEU HG . 36271 1
240 . 2 . 2 17 17 LEU HD11 H 1 0.907 0.002 . 2 . . . . B 17 LEU HD11 . 36271 1
241 . 2 . 2 17 17 LEU HD12 H 1 0.907 0.002 . 2 . . . . B 17 LEU HD12 . 36271 1
242 . 2 . 2 17 17 LEU HD13 H 1 0.907 0.002 . 2 . . . . B 17 LEU HD13 . 36271 1
243 . 2 . 2 17 17 LEU HD21 H 1 0.907 0.002 . 2 . . . . B 17 LEU HD21 . 36271 1
244 . 2 . 2 17 17 LEU HD22 H 1 0.907 0.002 . 2 . . . . B 17 LEU HD22 . 36271 1
245 . 2 . 2 17 17 LEU HD23 H 1 0.907 0.002 . 2 . . . . B 17 LEU HD23 . 36271 1
246 . 2 . 2 18 18 VAL H H 1 8.482 0.002 . 1 . . . . B 18 VAL H . 36271 1
247 . 2 . 2 18 18 VAL HA H 1 3.857 0.002 . 1 . . . . B 18 VAL HA . 36271 1
248 . 2 . 2 18 18 VAL HB H 1 2.08 0.002 . 1 . . . . B 18 VAL HB . 36271 1
249 . 2 . 2 18 18 VAL HG11 H 1 0.996 0.002 . 2 . . . . B 18 VAL HG11 . 36271 1
250 . 2 . 2 18 18 VAL HG12 H 1 0.996 0.002 . 2 . . . . B 18 VAL HG12 . 36271 1
251 . 2 . 2 18 18 VAL HG13 H 1 0.996 0.002 . 2 . . . . B 18 VAL HG13 . 36271 1
252 . 2 . 2 18 18 VAL HG21 H 1 0.847 0.002 . 2 . . . . B 18 VAL HG21 . 36271 1
253 . 2 . 2 18 18 VAL HG22 H 1 0.847 0.002 . 2 . . . . B 18 VAL HG22 . 36271 1
254 . 2 . 2 18 18 VAL HG23 H 1 0.847 0.002 . 2 . . . . B 18 VAL HG23 . 36271 1
255 . 2 . 2 19 19 CYS H H 1 8.718 0.006 . 1 . . . . B 19 CYS H . 36271 1
256 . 2 . 2 19 19 CYS HA H 1 4.756 0.003 . 1 . . . . B 19 CYS HA . 36271 1
257 . 2 . 2 19 19 CYS HB2 H 1 2.903 0.002 . 2 . . . . B 19 CYS HB2 . 36271 1
258 . 2 . 2 19 19 CYS HB3 H 1 3.23 0.002 . 2 . . . . B 19 CYS HB3 . 36271 1
259 . 2 . 2 20 20 GLY H H 1 7.758 0.002 . 1 . . . . B 20 GLY H . 36271 1
260 . 2 . 2 20 20 GLY HA2 H 1 3.918 0.002 . 2 . . . . B 20 GLY HA2 . 36271 1
261 . 2 . 2 20 20 GLY HA3 H 1 3.918 0.002 . 2 . . . . B 20 GLY HA3 . 36271 1
262 . 2 . 2 21 21 GLU H H 1 8.381 0.002 . 1 . . . . B 21 GLU H . 36271 1
263 . 2 . 2 21 21 GLU HA H 1 4.219 0 . 1 . . . . B 21 GLU HA . 36271 1
264 . 2 . 2 21 21 GLU HB2 H 1 2.166 0.001 . 1 . . . . B 21 GLU HB2 . 36271 1
265 . 2 . 2 21 21 GLU HB3 H 1 2.062 0.004 . 1 . . . . B 21 GLU HB3 . 36271 1
266 . 2 . 2 21 21 GLU HG2 H 1 2.496 0.002 . 2 . . . . B 21 GLU HG2 . 36271 1
267 . 2 . 2 21 21 GLU HG3 H 1 2.496 0.002 . 2 . . . . B 21 GLU HG3 . 36271 1
268 . 2 . 2 22 22 ARG H H 1 7.972 0.002 . 1 . . . . B 22 ARG H . 36271 1
269 . 2 . 2 22 22 ARG HA H 1 4.174 0.002 . 1 . . . . B 22 ARG HA . 36271 1
270 . 2 . 2 22 22 ARG HB2 H 1 1.966 0.002 . 2 . . . . B 22 ARG HB2 . 36271 1
271 . 2 . 2 22 22 ARG HB3 H 1 1.966 0.002 . 2 . . . . B 22 ARG HB3 . 36271 1
272 . 2 . 2 22 22 ARG HG2 H 1 1.72 0.002 . 2 . . . . B 22 ARG HG2 . 36271 1
273 . 2 . 2 22 22 ARG HG3 H 1 1.72 0.002 . 2 . . . . B 22 ARG HG3 . 36271 1
274 . 2 . 2 22 22 ARG HD2 H 1 3.225 0.002 . 2 . . . . B 22 ARG HD2 . 36271 1
275 . 2 . 2 22 22 ARG HD3 H 1 3.225 0.002 . 2 . . . . B 22 ARG HD3 . 36271 1
276 . 2 . 2 23 23 GLY H H 1 7.718 0.004 . 1 . . . . B 23 GLY H . 36271 1
277 . 2 . 2 23 23 GLY HA2 H 1 3.794 0.004 . 2 . . . . B 23 GLY HA2 . 36271 1
278 . 2 . 2 23 23 GLY HA3 H 1 3.794 0.004 . 2 . . . . B 23 GLY HA3 . 36271 1
279 . 2 . 2 24 24 PHE H H 1 8.188 0.002 . 1 . . . . B 24 PHE H . 36271 1
280 . 2 . 2 24 24 PHE HA H 1 4.237 0.002 . 1 . . . . B 24 PHE HA . 36271 1
281 . 2 . 2 24 24 PHE HB2 H 1 3.117 0.002 . 1 . . . . B 24 PHE HB2 . 36271 1
282 . 2 . 2 24 24 PHE HB3 H 1 3.124 0.002 . 1 . . . . B 24 PHE HB3 . 36271 1
283 . 2 . 2 24 24 PHE HD1 H 1 6.923 0.002 . 3 . . . . B 24 PHE HD1 . 36271 1
284 . 2 . 2 24 24 PHE HD2 H 1 6.923 0.002 . 3 . . . . B 24 PHE HD2 . 36271 1
285 . 2 . 2 24 24 PHE HE1 H 1 7.039 0.002 . 3 . . . . B 24 PHE HE1 . 36271 1
286 . 2 . 2 24 24 PHE HE2 H 1 7.039 0.002 . 3 . . . . B 24 PHE HE2 . 36271 1
287 . 2 . 2 25 25 PHE H H 1 8.208 0.002 . 1 . . . . B 25 PHE H . 36271 1
288 . 2 . 2 25 25 PHE HA H 1 4.641 0.002 . 1 . . . . B 25 PHE HA . 36271 1
289 . 2 . 2 25 25 PHE HB2 H 1 2.997 0.002 . 1 . . . . B 25 PHE HB2 . 36271 1
290 . 2 . 2 25 25 PHE HB3 H 1 3.091 0.002 . 1 . . . . B 25 PHE HB3 . 36271 1
291 . 2 . 2 25 25 PHE HD1 H 1 7.254 0.002 . 3 . . . . B 25 PHE HD1 . 36271 1
292 . 2 . 2 25 25 PHE HD2 H 1 7.254 0.002 . 3 . . . . B 25 PHE HD2 . 36271 1
293 . 2 . 2 25 25 PHE HE1 H 1 7.178 0.002 . 3 . . . . B 25 PHE HE1 . 36271 1
294 . 2 . 2 25 25 PHE HE2 H 1 7.178 0.002 . 3 . . . . B 25 PHE HE2 . 36271 1
295 . 2 . 2 26 26 TYR H H 1 7.975 0.002 . 1 . . . . B 26 TYR H . 36271 1
296 . 2 . 2 26 26 TYR HA H 1 4.622 0.002 . 1 . . . . B 26 TYR HA . 36271 1
297 . 2 . 2 26 26 TYR HB2 H 1 2.894 0.002 . 2 . . . . B 26 TYR HB2 . 36271 1
298 . 2 . 2 26 26 TYR HB3 H 1 2.894 0.002 . 2 . . . . B 26 TYR HB3 . 36271 1
299 . 2 . 2 26 26 TYR HD1 H 1 6.713 0.002 . 3 . . . . B 26 TYR HD1 . 36271 1
300 . 2 . 2 26 26 TYR HD2 H 1 6.713 0.002 . 3 . . . . B 26 TYR HD2 . 36271 1
301 . 2 . 2 26 26 TYR HE1 H 1 6.977 0.002 . 3 . . . . B 26 TYR HE1 . 36271 1
302 . 2 . 2 26 26 TYR HE2 H 1 6.977 0.002 . 3 . . . . B 26 TYR HE2 . 36271 1
303 . 2 . 2 27 27 THR H H 1 7.778 0.002 . 1 . . . . B 27 THR H . 36271 1
304 . 2 . 2 27 27 THR HA H 1 4.583 0.002 . 1 . . . . B 27 THR HA . 36271 1
305 . 2 . 2 27 27 THR HB H 1 4.05 0.002 . 1 . . . . B 27 THR HB . 36271 1
306 . 2 . 2 27 27 THR HG21 H 1 1.162 0.002 . 1 . . . . B 27 THR HG21 . 36271 1
307 . 2 . 2 27 27 THR HG22 H 1 1.162 0.002 . 1 . . . . B 27 THR HG22 . 36271 1
308 . 2 . 2 27 27 THR HG23 H 1 1.162 0.002 . 1 . . . . B 27 THR HG23 . 36271 1
stop_
save_