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 31010
_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 TOCSY' . . . 31010 1
2 '2D 1H-1H NOESY' . . . 31010 1
3 '2D 1H-13C HSQC aliphatic' . . . 31010 1
4 '2D 1H-15N HSQC' . . . 31010 1
5 '2D ECOSY' . . . 31010 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 ASN HA H 1 4.341 0.002 . 1 . . . . A 1 ASN HA . 31010 1
2 . 1 . 1 1 1 ASN HB2 H 1 2.966 0.008 . 2 . . . . A 1 ASN HB2 . 31010 1
3 . 1 . 1 1 1 ASN HB3 H 1 2.866 0.000 . 2 . . . . A 1 ASN HB3 . 31010 1
4 . 1 . 1 1 1 ASN CA C 13 52.326 0.000 . 1 . . . . A 1 ASN CA . 31010 1
5 . 1 . 1 1 1 ASN CB C 13 37.568 0.014 . 1 . . . . A 1 ASN CB . 31010 1
6 . 1 . 1 2 2 ALA H H 1 8.655 0.002 . 1 . . . . A 2 ALA H . 31010 1
7 . 1 . 1 2 2 ALA HA H 1 4.642 0.003 . 1 . . . . A 2 ALA HA . 31010 1
8 . 1 . 1 2 2 ALA HB1 H 1 1.374 0.001 . 1 . . . . A 2 ALA HB1 . 31010 1
9 . 1 . 1 2 2 ALA HB2 H 1 1.374 0.001 . 1 . . . . A 2 ALA HB2 . 31010 1
10 . 1 . 1 2 2 ALA HB3 H 1 1.374 0.001 . 1 . . . . A 2 ALA HB3 . 31010 1
11 . 1 . 1 2 2 ALA CA C 13 50.684 0.000 . 1 . . . . A 2 ALA CA . 31010 1
12 . 1 . 1 2 2 ALA CB C 13 18.005 0.000 . 1 . . . . A 2 ALA CB . 31010 1
13 . 1 . 1 2 2 ALA N N 15 125.602 0.000 . 1 . . . . A 2 ALA N . 31010 1
14 . 1 . 1 3 3 PRO HA H 1 4.366 0.002 . 1 . . . . A 3 PRO HA . 31010 1
15 . 1 . 1 3 3 PRO HB2 H 1 2.221 0.003 . 2 . . . . A 3 PRO HB2 . 31010 1
16 . 1 . 1 3 3 PRO HB3 H 1 1.769 0.006 . 2 . . . . A 3 PRO HB3 . 31010 1
17 . 1 . 1 3 3 PRO HG2 H 1 2.005 0.001 . 2 . . . . A 3 PRO HG2 . 31010 1
18 . 1 . 1 3 3 PRO HG3 H 1 2.005 0.001 . 2 . . . . A 3 PRO HG3 . 31010 1
19 . 1 . 1 3 3 PRO HD2 H 1 3.782 0.001 . 2 . . . . A 3 PRO HD2 . 31010 1
20 . 1 . 1 3 3 PRO HD3 H 1 3.632 0.002 . 2 . . . . A 3 PRO HD3 . 31010 1
21 . 1 . 1 3 3 PRO CA C 13 63.078 0.000 . 1 . . . . A 3 PRO CA . 31010 1
22 . 1 . 1 3 3 PRO CB C 13 32.065 0.001 . 1 . . . . A 3 PRO CB . 31010 1
23 . 1 . 1 3 3 PRO CG C 13 27.453 0.000 . 1 . . . . A 3 PRO CG . 31010 1
24 . 1 . 1 3 3 PRO CD C 13 50.463 0.006 . 1 . . . . A 3 PRO CD . 31010 1
25 . 1 . 1 4 4 GLU H H 1 8.344 0.001 . 1 . . . . A 4 GLU H . 31010 1
26 . 1 . 1 4 4 GLU HA H 1 4.274 0.002 . 1 . . . . A 4 GLU HA . 31010 1
27 . 1 . 1 4 4 GLU HB2 H 1 1.954 0.005 . 2 . . . . A 4 GLU HB2 . 31010 1
28 . 1 . 1 4 4 GLU HB3 H 1 1.901 0.003 . 2 . . . . A 4 GLU HB3 . 31010 1
29 . 1 . 1 4 4 GLU HG2 H 1 2.356 0.005 . 2 . . . . A 4 GLU HG2 . 31010 1
30 . 1 . 1 4 4 GLU HG3 H 1 2.261 0.003 . 2 . . . . A 4 GLU HG3 . 31010 1
31 . 1 . 1 4 4 GLU CA C 13 55.866 0.000 . 1 . . . . A 4 GLU CA . 31010 1
32 . 1 . 1 4 4 GLU CB C 13 29.247 0.005 . 1 . . . . A 4 GLU CB . 31010 1
33 . 1 . 1 4 4 GLU CG C 13 32.943 0.014 . 1 . . . . A 4 GLU CG . 31010 1
34 . 1 . 1 4 4 GLU N N 15 120.431 0.000 . 1 . . . . A 4 GLU N . 31010 1
35 . 1 . 1 5 5 PHE H H 1 8.204 0.001 . 1 . . . . A 5 PHE H . 31010 1
36 . 1 . 1 5 5 PHE HA H 1 4.885 0.008 . 1 . . . . A 5 PHE HA . 31010 1
37 . 1 . 1 5 5 PHE HB2 H 1 3.064 0.003 . 2 . . . . A 5 PHE HB2 . 31010 1
38 . 1 . 1 5 5 PHE HB3 H 1 2.925 0.005 . 2 . . . . A 5 PHE HB3 . 31010 1
39 . 1 . 1 5 5 PHE HD1 H 1 7.127 0.007 . 3 . . . . A 5 PHE HD1 . 31010 1
40 . 1 . 1 5 5 PHE HD2 H 1 7.127 0.007 . 3 . . . . A 5 PHE HD2 . 31010 1
41 . 1 . 1 5 5 PHE HE1 H 1 7.227 0.002 . 3 . . . . A 5 PHE HE1 . 31010 1
42 . 1 . 1 5 5 PHE HE2 H 1 7.227 0.002 . 3 . . . . A 5 PHE HE2 . 31010 1
43 . 1 . 1 5 5 PHE CA C 13 57.045 0.000 . 1 . . . . A 5 PHE CA . 31010 1
44 . 1 . 1 5 5 PHE CB C 13 40.208 0.035 . 1 . . . . A 5 PHE CB . 31010 1
45 . 1 . 1 6 6 THR H H 1 8.242 0.003 . 1 . . . . A 6 THR H . 31010 1
46 . 1 . 1 6 6 THR HA H 1 4.321 0.002 . 1 . . . . A 6 THR HA . 31010 1
47 . 1 . 1 6 6 THR HB H 1 3.893 0.013 . 1 . . . . A 6 THR HB . 31010 1
48 . 1 . 1 6 6 THR HG21 H 1 0.930 0.001 . 1 . . . . A 6 THR HG21 . 31010 1
49 . 1 . 1 6 6 THR HG22 H 1 0.930 0.001 . 1 . . . . A 6 THR HG22 . 31010 1
50 . 1 . 1 6 6 THR HG23 H 1 0.930 0.001 . 1 . . . . A 6 THR HG23 . 31010 1
51 . 1 . 1 6 6 THR CA C 13 61.657 0.000 . 1 . . . . A 6 THR CA . 31010 1
52 . 1 . 1 6 6 THR CB C 13 70.076 0.000 . 1 . . . . A 6 THR CB . 31010 1
53 . 1 . 1 6 6 THR CG2 C 13 20.932 0.000 . 1 . . . . A 6 THR CG2 . 31010 1
54 . 1 . 1 6 6 THR N N 15 116.899 0.000 . 1 . . . . A 6 THR N . 31010 1
55 . 1 . 1 7 7 GLN H H 1 8.489 0.002 . 1 . . . . A 7 GLN H . 31010 1
56 . 1 . 1 7 7 GLN HA H 1 4.373 0.001 . 1 . . . . A 7 GLN HA . 31010 1
57 . 1 . 1 7 7 GLN HB2 H 1 2.118 0.002 . 2 . . . . A 7 GLN HB2 . 31010 1
58 . 1 . 1 7 7 GLN HB3 H 1 1.997 0.006 . 2 . . . . A 7 GLN HB3 . 31010 1
59 . 1 . 1 7 7 GLN HG2 H 1 2.336 0.003 . 2 . . . . A 7 GLN HG2 . 31010 1
60 . 1 . 1 7 7 GLN HG3 H 1 2.336 0.003 . 2 . . . . A 7 GLN HG3 . 31010 1
61 . 1 . 1 7 7 GLN CA C 13 56.155 0.000 . 1 . . . . A 7 GLN CA . 31010 1
62 . 1 . 1 7 7 GLN CB C 13 29.055 0.001 . 1 . . . . A 7 GLN CB . 31010 1
63 . 1 . 1 7 7 GLN CG C 13 33.911 0.000 . 1 . . . . A 7 GLN CG . 31010 1
64 . 1 . 1 7 7 GLN N N 15 124.408 0.000 . 1 . . . . A 7 GLN N . 31010 1
65 . 1 . 1 8 8 SER H H 1 8.204 0.001 . 1 . . . . A 8 SER H . 31010 1
66 . 1 . 1 8 8 SER HA H 1 4.502 0.004 . 1 . . . . A 8 SER HA . 31010 1
67 . 1 . 1 8 8 SER HB2 H 1 3.769 0.005 . 2 . . . . A 8 SER HB2 . 31010 1
68 . 1 . 1 8 8 SER HB3 H 1 3.644 0.008 . 2 . . . . A 8 SER HB3 . 31010 1
69 . 1 . 1 8 8 SER CA C 13 57.943 0.000 . 1 . . . . A 8 SER CA . 31010 1
70 . 1 . 1 8 8 SER CB C 13 64.235 0.009 . 1 . . . . A 8 SER CB . 31010 1
71 . 1 . 1 9 9 VAL H H 1 8.106 0.001 . 1 . . . . A 9 VAL H . 31010 1
72 . 1 . 1 9 9 VAL HA H 1 4.226 0.004 . 1 . . . . A 9 VAL HA . 31010 1
73 . 1 . 1 9 9 VAL HB H 1 2.062 0.002 . 1 . . . . A 9 VAL HB . 31010 1
74 . 1 . 1 9 9 VAL HG11 H 1 0.940 0.010 . 2 . . . . A 9 VAL HG11 . 31010 1
75 . 1 . 1 9 9 VAL HG12 H 1 0.940 0.010 . 2 . . . . A 9 VAL HG12 . 31010 1
76 . 1 . 1 9 9 VAL HG13 H 1 0.940 0.010 . 2 . . . . A 9 VAL HG13 . 31010 1
77 . 1 . 1 9 9 VAL HG21 H 1 0.935 0.007 . 2 . . . . A 9 VAL HG21 . 31010 1
78 . 1 . 1 9 9 VAL HG22 H 1 0.935 0.007 . 2 . . . . A 9 VAL HG22 . 31010 1
79 . 1 . 1 9 9 VAL HG23 H 1 0.935 0.007 . 2 . . . . A 9 VAL HG23 . 31010 1
80 . 1 . 1 9 9 VAL CA C 13 62.580 0.000 . 1 . . . . A 9 VAL CA . 31010 1
81 . 1 . 1 9 9 VAL CB C 13 32.389 0.000 . 1 . . . . A 9 VAL CB . 31010 1
82 . 1 . 1 9 9 VAL CG1 C 13 20.766 0.000 . 2 . . . . A 9 VAL CG1 . 31010 1
83 . 1 . 1 9 9 VAL CG2 C 13 21.132 0.000 . 2 . . . . A 9 VAL CG2 . 31010 1
84 . 1 . 1 9 9 VAL N N 15 114.820 0.000 . 1 . . . . A 9 VAL N . 31010 1
85 . 1 . 1 10 10 CYS H H 1 7.682 0.003 . 1 . . . . A 10 CYS H . 31010 1
86 . 1 . 1 10 10 CYS HA H 1 4.797 0.004 . 1 . . . . A 10 CYS HA . 31010 1
87 . 1 . 1 10 10 CYS HB2 H 1 3.095 0.009 . 2 . . . . A 10 CYS HB2 . 31010 1
88 . 1 . 1 10 10 CYS HB3 H 1 3.005 0.007 . 2 . . . . A 10 CYS HB3 . 31010 1
89 . 1 . 1 10 10 CYS CA C 13 53.424 0.000 . 1 . . . . A 10 CYS CA . 31010 1
90 . 1 . 1 10 10 CYS CB C 13 44.991 0.000 . 1 . . . . A 10 CYS CB . 31010 1
91 . 1 . 1 10 10 CYS N N 15 117.254 0.000 . 1 . . . . A 10 CYS N . 31010 1
92 . 1 . 1 11 11 GLU H H 1 9.425 0.004 . 1 . . . . A 11 GLU H . 31010 1
93 . 1 . 1 11 11 GLU HA H 1 4.541 0.003 . 1 . . . . A 11 GLU HA . 31010 1
94 . 1 . 1 11 11 GLU HB2 H 1 2.142 0.003 . 2 . . . . A 11 GLU HB2 . 31010 1
95 . 1 . 1 11 11 GLU HB3 H 1 1.984 0.004 . 2 . . . . A 11 GLU HB3 . 31010 1
96 . 1 . 1 11 11 GLU HG2 H 1 2.442 0.002 . 2 . . . . A 11 GLU HG2 . 31010 1
97 . 1 . 1 11 11 GLU HG3 H 1 2.442 0.002 . 2 . . . . A 11 GLU HG3 . 31010 1
98 . 1 . 1 11 11 GLU CA C 13 56.013 0.000 . 1 . . . . A 11 GLU CA . 31010 1
99 . 1 . 1 11 11 GLU CB C 13 30.863 0.016 . 1 . . . . A 11 GLU CB . 31010 1
100 . 1 . 1 11 11 GLU CG C 13 33.147 0.000 . 1 . . . . A 11 GLU CG . 31010 1
101 . 1 . 1 11 11 GLU N N 15 117.215 0.000 . 1 . . . . A 11 GLU N . 31010 1
102 . 1 . 1 12 12 ARG H H 1 8.135 0.001 . 1 . . . . A 12 ARG H . 31010 1
103 . 1 . 1 12 12 ARG HA H 1 4.747 0.007 . 1 . . . . A 12 ARG HA . 31010 1
104 . 1 . 1 12 12 ARG HB2 H 1 2.034 0.002 . 2 . . . . A 12 ARG HB2 . 31010 1
105 . 1 . 1 12 12 ARG HB3 H 1 1.794 0.002 . 2 . . . . A 12 ARG HB3 . 31010 1
106 . 1 . 1 12 12 ARG HG2 H 1 1.674 0.001 . 2 . . . . A 12 ARG HG2 . 31010 1
107 . 1 . 1 12 12 ARG HG3 H 1 1.496 0.002 . 2 . . . . A 12 ARG HG3 . 31010 1
108 . 1 . 1 12 12 ARG HD2 H 1 3.187 0.001 . 2 . . . . A 12 ARG HD2 . 31010 1
109 . 1 . 1 12 12 ARG HD3 H 1 3.187 0.001 . 2 . . . . A 12 ARG HD3 . 31010 1
110 . 1 . 1 12 12 ARG HE H 1 7.226 0.001 . 1 . . . . A 12 ARG HE . 31010 1
111 . 1 . 1 12 12 ARG CA C 13 53.647 0.000 . 1 . . . . A 12 ARG CA . 31010 1
112 . 1 . 1 12 12 ARG CB C 13 32.585 0.000 . 1 . . . . A 12 ARG CB . 31010 1
113 . 1 . 1 12 12 ARG CG C 13 25.927 0.003 . 1 . . . . A 12 ARG CG . 31010 1
114 . 1 . 1 12 12 ARG CD C 13 43.247 0.000 . 1 . . . . A 12 ARG CD . 31010 1
115 . 1 . 1 12 12 ARG N N 15 117.295 0.000 . 1 . . . . A 12 ARG N . 31010 1
116 . 1 . 1 13 13 ASN H H 1 9.326 0.003 . 1 . . . . A 13 ASN H . 31010 1
117 . 1 . 1 13 13 ASN HA H 1 4.219 0.002 . 1 . . . . A 13 ASN HA . 31010 1
118 . 1 . 1 13 13 ASN HB2 H 1 3.168 0.005 . 2 . . . . A 13 ASN HB2 . 31010 1
119 . 1 . 1 13 13 ASN HB3 H 1 2.889 0.001 . 2 . . . . A 13 ASN HB3 . 31010 1
120 . 1 . 1 13 13 ASN CA C 13 57.379 0.000 . 1 . . . . A 13 ASN CA . 31010 1
121 . 1 . 1 13 13 ASN CB C 13 36.784 0.029 . 1 . . . . A 13 ASN CB . 31010 1
122 . 1 . 1 13 13 ASN N N 15 122.813 0.000 . 1 . . . . A 13 ASN N . 31010 1
123 . 1 . 1 14 14 SER H H 1 8.644 0.002 . 1 . . . . A 14 SER H . 31010 1
124 . 1 . 1 14 14 SER HA H 1 4.195 0.004 . 1 . . . . A 14 SER HA . 31010 1
125 . 1 . 1 14 14 SER HB2 H 1 4.054 0.003 . 2 . . . . A 14 SER HB2 . 31010 1
126 . 1 . 1 14 14 SER HB3 H 1 3.889 0.003 . 2 . . . . A 14 SER HB3 . 31010 1
127 . 1 . 1 14 14 SER CA C 13 60.712 0.000 . 1 . . . . A 14 SER CA . 31010 1
128 . 1 . 1 14 14 SER CB C 13 62.080 0.004 . 1 . . . . A 14 SER CB . 31010 1
129 . 1 . 1 14 14 SER N N 15 113.366 0.000 . 1 . . . . A 14 SER N . 31010 1
130 . 1 . 1 15 15 ASP H H 1 7.723 0.001 . 1 . . . . A 15 ASP H . 31010 1
131 . 1 . 1 15 15 ASP HA H 1 4.596 0.003 . 1 . . . . A 15 ASP HA . 31010 1
132 . 1 . 1 15 15 ASP HB2 H 1 3.130 0.002 . 2 . . . . A 15 ASP HB2 . 31010 1
133 . 1 . 1 15 15 ASP HB3 H 1 3.130 0.002 . 2 . . . . A 15 ASP HB3 . 31010 1
134 . 1 . 1 15 15 ASP CA C 13 56.982 0.000 . 1 . . . . A 15 ASP CA . 31010 1
135 . 1 . 1 15 15 ASP CB C 13 41.185 0.000 . 1 . . . . A 15 ASP CB . 31010 1
136 . 1 . 1 15 15 ASP N N 15 123.677 0.000 . 1 . . . . A 15 ASP N . 31010 1
137 . 1 . 1 16 16 CYS H H 1 8.105 0.002 . 1 . . . . A 16 CYS H . 31010 1
138 . 1 . 1 16 16 CYS HA H 1 5.057 0.003 . 1 . . . . A 16 CYS HA . 31010 1
139 . 1 . 1 16 16 CYS HB2 H 1 3.312 0.004 . 2 . . . . A 16 CYS HB2 . 31010 1
140 . 1 . 1 16 16 CYS HB3 H 1 2.945 0.001 . 2 . . . . A 16 CYS HB3 . 31010 1
141 . 1 . 1 16 16 CYS CA C 13 53.653 0.000 . 1 . . . . A 16 CYS CA . 31010 1
142 . 1 . 1 16 16 CYS CB C 13 37.471 0.000 . 1 . . . . A 16 CYS CB . 31010 1
143 . 1 . 1 16 16 CYS N N 15 121.210 0.000 . 1 . . . . A 16 CYS N . 31010 1
144 . 1 . 1 17 17 ASP H H 1 7.879 0.000 . 1 . . . . A 17 ASP H . 31010 1
145 . 1 . 1 17 17 ASP HA H 1 4.254 0.004 . 1 . . . . A 17 ASP HA . 31010 1
146 . 1 . 1 17 17 ASP HB2 H 1 2.962 0.004 . 2 . . . . A 17 ASP HB2 . 31010 1
147 . 1 . 1 17 17 ASP HB3 H 1 2.597 0.003 . 2 . . . . A 17 ASP HB3 . 31010 1
148 . 1 . 1 17 17 ASP CA C 13 57.317 0.000 . 1 . . . . A 17 ASP CA . 31010 1
149 . 1 . 1 17 17 ASP CB C 13 39.330 0.010 . 1 . . . . A 17 ASP CB . 31010 1
150 . 1 . 1 17 17 ASP N N 15 124.999 0.000 . 1 . . . . A 17 ASP N . 31010 1
151 . 1 . 1 18 18 HIS H H 1 8.541 0.001 . 1 . . . . A 18 HIS H . 31010 1
152 . 1 . 1 18 18 HIS HA H 1 4.379 0.001 . 1 . . . . A 18 HIS HA . 31010 1
153 . 1 . 1 18 18 HIS HB2 H 1 3.219 0.005 . 2 . . . . A 18 HIS HB2 . 31010 1
154 . 1 . 1 18 18 HIS HB3 H 1 3.024 0.007 . 2 . . . . A 18 HIS HB3 . 31010 1
155 . 1 . 1 18 18 HIS HD2 H 1 6.992 0.001 . 1 . . . . A 18 HIS HD2 . 31010 1
156 . 1 . 1 18 18 HIS HE1 H 1 8.356 0.000 . 1 . . . . A 18 HIS HE1 . 31010 1
157 . 1 . 1 18 18 HIS CA C 13 58.028 0.000 . 1 . . . . A 18 HIS CA . 31010 1
158 . 1 . 1 18 18 HIS CB C 13 27.239 0.008 . 1 . . . . A 18 HIS CB . 31010 1
159 . 1 . 1 18 18 HIS N N 15 117.416 0.000 . 1 . . . . A 18 HIS N . 31010 1
160 . 1 . 1 19 19 PHE H H 1 7.393 0.002 . 1 . . . . A 19 PHE H . 31010 1
161 . 1 . 1 19 19 PHE HA H 1 4.513 0.003 . 1 . . . . A 19 PHE HA . 31010 1
162 . 1 . 1 19 19 PHE HB2 H 1 3.149 0.006 . 2 . . . . A 19 PHE HB2 . 31010 1
163 . 1 . 1 19 19 PHE HB3 H 1 3.039 0.002 . 2 . . . . A 19 PHE HB3 . 31010 1
164 . 1 . 1 19 19 PHE HD1 H 1 7.238 0.003 . 3 . . . . A 19 PHE HD1 . 31010 1
165 . 1 . 1 19 19 PHE HD2 H 1 7.238 0.003 . 3 . . . . A 19 PHE HD2 . 31010 1
166 . 1 . 1 19 19 PHE HE1 H 1 7.412 0.002 . 3 . . . . A 19 PHE HE1 . 31010 1
167 . 1 . 1 19 19 PHE HE2 H 1 7.412 0.002 . 3 . . . . A 19 PHE HE2 . 31010 1
168 . 1 . 1 19 19 PHE CA C 13 59.244 0.000 . 1 . . . . A 19 PHE CA . 31010 1
169 . 1 . 1 19 19 PHE CB C 13 40.329 0.015 . 1 . . . . A 19 PHE CB . 31010 1
170 . 1 . 1 19 19 PHE N N 15 116.455 0.000 . 1 . . . . A 19 PHE N . 31010 1
171 . 1 . 1 20 20 CYS H H 1 7.608 0.001 . 1 . . . . A 20 CYS H . 31010 1
172 . 1 . 1 20 20 CYS HA H 1 4.814 0.012 . 1 . . . . A 20 CYS HA . 31010 1
173 . 1 . 1 20 20 CYS HB2 H 1 2.459 0.004 . 2 . . . . A 20 CYS HB2 . 31010 1
174 . 1 . 1 20 20 CYS HB3 H 1 3.153 0.004 . 2 . . . . A 20 CYS HB3 . 31010 1
175 . 1 . 1 20 20 CYS CA C 13 54.012 0.000 . 1 . . . . A 20 CYS CA . 31010 1
176 . 1 . 1 20 20 CYS CB C 13 40.305 0.024 . 1 . . . . A 20 CYS CB . 31010 1
177 . 1 . 1 20 20 CYS N N 15 114.018 0.000 . 1 . . . . A 20 CYS N . 31010 1
178 . 1 . 1 21 21 GLY H H 1 8.389 0.001 . 1 . . . . A 21 GLY H . 31010 1
179 . 1 . 1 21 21 GLY HA2 H 1 4.432 0.003 . 2 . . . . A 21 GLY HA2 . 31010 1
180 . 1 . 1 21 21 GLY HA3 H 1 3.773 0.005 . 2 . . . . A 21 GLY HA3 . 31010 1
181 . 1 . 1 21 21 GLY CA C 13 44.252 0.004 . 1 . . . . A 21 GLY CA . 31010 1
182 . 1 . 1 21 21 GLY N N 15 111.050 0.000 . 1 . . . . A 21 GLY N . 31010 1
183 . 1 . 1 22 22 GLU H H 1 8.448 0.002 . 1 . . . . A 22 GLU H . 31010 1
184 . 1 . 1 22 22 GLU HA H 1 3.965 0.002 . 1 . . . . A 22 GLU HA . 31010 1
185 . 1 . 1 22 22 GLU HB2 H 1 2.012 0.001 . 2 . . . . A 22 GLU HB2 . 31010 1
186 . 1 . 1 22 22 GLU HB3 H 1 2.012 0.001 . 2 . . . . A 22 GLU HB3 . 31010 1
187 . 1 . 1 22 22 GLU HG2 H 1 2.450 0.004 . 2 . . . . A 22 GLU HG2 . 31010 1
188 . 1 . 1 22 22 GLU HG3 H 1 2.364 0.001 . 2 . . . . A 22 GLU HG3 . 31010 1
189 . 1 . 1 22 22 GLU CA C 13 57.385 0.000 . 1 . . . . A 22 GLU CA . 31010 1
190 . 1 . 1 22 22 GLU CB C 13 28.085 0.000 . 1 . . . . A 22 GLU CB . 31010 1
191 . 1 . 1 22 22 GLU N N 15 121.807 0.000 . 1 . . . . A 22 GLU N . 31010 1
192 . 1 . 1 23 23 GLY H H 1 8.510 0.002 . 1 . . . . A 23 GLY H . 31010 1
193 . 1 . 1 23 23 GLY HA2 H 1 3.886 0.002 . 2 . . . . A 23 GLY HA2 . 31010 1
194 . 1 . 1 23 23 GLY HA3 H 1 3.724 0.003 . 2 . . . . A 23 GLY HA3 . 31010 1
195 . 1 . 1 23 23 GLY CA C 13 45.184 0.014 . 1 . . . . A 23 GLY CA . 31010 1
196 . 1 . 1 23 23 GLY N N 15 112.565 0.000 . 1 . . . . A 23 GLY N . 31010 1
197 . 1 . 1 24 24 PHE H H 1 7.955 0.001 . 1 . . . . A 24 PHE H . 31010 1
198 . 1 . 1 24 24 PHE HA H 1 4.840 0.012 . 1 . . . . A 24 PHE HA . 31010 1
199 . 1 . 1 24 24 PHE HB2 H 1 3.352 0.005 . 2 . . . . A 24 PHE HB2 . 31010 1
200 . 1 . 1 24 24 PHE HB3 H 1 2.644 0.003 . 2 . . . . A 24 PHE HB3 . 31010 1
201 . 1 . 1 24 24 PHE HD1 H 1 7.147 0.001 . 3 . . . . A 24 PHE HD1 . 31010 1
202 . 1 . 1 24 24 PHE HD2 H 1 7.147 0.001 . 3 . . . . A 24 PHE HD2 . 31010 1
203 . 1 . 1 24 24 PHE HE1 H 1 7.341 0.002 . 3 . . . . A 24 PHE HE1 . 31010 1
204 . 1 . 1 24 24 PHE HE2 H 1 7.341 0.002 . 3 . . . . A 24 PHE HE2 . 31010 1
205 . 1 . 1 24 24 PHE CA C 13 57.321 0.000 . 1 . . . . A 24 PHE CA . 31010 1
206 . 1 . 1 24 24 PHE CB C 13 40.212 0.006 . 1 . . . . A 24 PHE CB . 31010 1
207 . 1 . 1 24 24 PHE N N 15 117.247 0.000 . 1 . . . . A 24 PHE N . 31010 1
208 . 1 . 1 25 25 GLY H H 1 8.594 0.001 . 1 . . . . A 25 GLY H . 31010 1
209 . 1 . 1 25 25 GLY HA2 H 1 4.578 0.003 . 2 . . . . A 25 GLY HA2 . 31010 1
210 . 1 . 1 25 25 GLY HA3 H 1 3.470 0.001 . 2 . . . . A 25 GLY HA3 . 31010 1
211 . 1 . 1 25 25 GLY CA C 13 46.238 0.014 . 1 . . . . A 25 GLY CA . 31010 1
212 . 1 . 1 25 25 GLY N N 15 109.025 0.000 . 1 . . . . A 25 GLY N . 31010 1
213 . 1 . 1 26 26 HIS H H 1 8.717 0.003 . 1 . . . . A 26 HIS H . 31010 1
214 . 1 . 1 26 26 HIS HA H 1 4.666 0.004 . 1 . . . . A 26 HIS HA . 31010 1
215 . 1 . 1 26 26 HIS HB2 H 1 3.073 0.005 . 2 . . . . A 26 HIS HB2 . 31010 1
216 . 1 . 1 26 26 HIS HB3 H 1 2.961 0.007 . 2 . . . . A 26 HIS HB3 . 31010 1
217 . 1 . 1 26 26 HIS HD2 H 1 7.297 0.001 . 1 . . . . A 26 HIS HD2 . 31010 1
218 . 1 . 1 26 26 HIS HE1 H 1 8.636 0.000 . 1 . . . . A 26 HIS HE1 . 31010 1
219 . 1 . 1 26 26 HIS CA C 13 53.565 0.000 . 1 . . . . A 26 HIS CA . 31010 1
220 . 1 . 1 26 26 HIS CB C 13 30.731 0.016 . 1 . . . . A 26 HIS CB . 31010 1
221 . 1 . 1 26 26 HIS N N 15 120.073 0.000 . 1 . . . . A 26 HIS N . 31010 1
222 . 1 . 1 27 27 CYS H H 1 9.110 0.003 . 1 . . . . A 27 CYS H . 31010 1
223 . 1 . 1 27 27 CYS HA H 1 5.022 0.003 . 1 . . . . A 27 CYS HA . 31010 1
224 . 1 . 1 27 27 CYS HB2 H 1 2.809 0.003 . 2 . . . . A 27 CYS HB2 . 31010 1
225 . 1 . 1 27 27 CYS HB3 H 1 2.632 0.003 . 2 . . . . A 27 CYS HB3 . 31010 1
226 . 1 . 1 27 27 CYS CA C 13 55.141 0.000 . 1 . . . . A 27 CYS CA . 31010 1
227 . 1 . 1 27 27 CYS CB C 13 38.004 0.021 . 1 . . . . A 27 CYS CB . 31010 1
228 . 1 . 1 27 27 CYS N N 15 125.101 0.000 . 1 . . . . A 27 CYS N . 31010 1
229 . 1 . 1 28 28 ILE H H 1 9.250 0.005 . 1 . . . . A 28 ILE H . 31010 1
230 . 1 . 1 28 28 ILE HA H 1 4.079 0.004 . 1 . . . . A 28 ILE HA . 31010 1
231 . 1 . 1 28 28 ILE HB H 1 1.502 0.009 . 1 . . . . A 28 ILE HB . 31010 1
232 . 1 . 1 28 28 ILE HG12 H 1 1.135 0.003 . 2 . . . . A 28 ILE HG12 . 31010 1
233 . 1 . 1 28 28 ILE HG13 H 1 1.096 0.006 . 2 . . . . A 28 ILE HG13 . 31010 1
234 . 1 . 1 28 28 ILE HG21 H 1 0.788 0.003 . 1 . . . . A 28 ILE HG21 . 31010 1
235 . 1 . 1 28 28 ILE HG22 H 1 0.788 0.003 . 1 . . . . A 28 ILE HG22 . 31010 1
236 . 1 . 1 28 28 ILE HG23 H 1 0.788 0.003 . 1 . . . . A 28 ILE HG23 . 31010 1
237 . 1 . 1 28 28 ILE HD11 H 1 0.466 0.004 . 1 . . . . A 28 ILE HD11 . 31010 1
238 . 1 . 1 28 28 ILE HD12 H 1 0.466 0.004 . 1 . . . . A 28 ILE HD12 . 31010 1
239 . 1 . 1 28 28 ILE HD13 H 1 0.466 0.004 . 1 . . . . A 28 ILE HD13 . 31010 1
240 . 1 . 1 28 28 ILE CA C 13 59.771 0.000 . 1 . . . . A 28 ILE CA . 31010 1
241 . 1 . 1 28 28 ILE CB C 13 35.912 0.000 . 1 . . . . A 28 ILE CB . 31010 1
242 . 1 . 1 28 28 ILE CG1 C 13 26.461 0.010 . 1 . . . . A 28 ILE CG1 . 31010 1
243 . 1 . 1 28 28 ILE CG2 C 13 17.256 0.000 . 1 . . . . A 28 ILE CG2 . 31010 1
244 . 1 . 1 28 28 ILE CD1 C 13 10.506 0.000 . 1 . . . . A 28 ILE CD1 . 31010 1
245 . 1 . 1 28 28 ILE N N 15 132.785 0.000 . 1 . . . . A 28 ILE N . 31010 1
246 . 1 . 1 29 29 ARG H H 1 9.014 0.003 . 1 . . . . A 29 ARG H . 31010 1
247 . 1 . 1 29 29 ARG HA H 1 3.892 0.002 . 1 . . . . A 29 ARG HA . 31010 1
248 . 1 . 1 29 29 ARG HB2 H 1 2.137 0.002 . 2 . . . . A 29 ARG HB2 . 31010 1
249 . 1 . 1 29 29 ARG HB3 H 1 1.848 0.005 . 2 . . . . A 29 ARG HB3 . 31010 1
250 . 1 . 1 29 29 ARG HG2 H 1 1.704 0.007 . 2 . . . . A 29 ARG HG2 . 31010 1
251 . 1 . 1 29 29 ARG HG3 H 1 1.657 0.002 . 2 . . . . A 29 ARG HG3 . 31010 1
252 . 1 . 1 29 29 ARG HD2 H 1 3.272 0.002 . 2 . . . . A 29 ARG HD2 . 31010 1
253 . 1 . 1 29 29 ARG HD3 H 1 3.272 0.002 . 2 . . . . A 29 ARG HD3 . 31010 1
254 . 1 . 1 29 29 ARG HE H 1 7.243 0.001 . 1 . . . . A 29 ARG HE . 31010 1
255 . 1 . 1 29 29 ARG CA C 13 57.384 0.000 . 1 . . . . A 29 ARG CA . 31010 1
256 . 1 . 1 29 29 ARG CB C 13 28.853 0.006 . 1 . . . . A 29 ARG CB . 31010 1
257 . 1 . 1 29 29 ARG CG C 13 28.349 0.008 . 1 . . . . A 29 ARG CG . 31010 1
258 . 1 . 1 29 29 ARG CD C 13 43.559 0.000 . 1 . . . . A 29 ARG CD . 31010 1
259 . 1 . 1 29 29 ARG N N 15 123.997 0.000 . 1 . . . . A 29 ARG N . 31010 1
260 . 1 . 1 30 30 GLY H H 1 7.439 0.001 . 1 . . . . A 30 GLY H . 31010 1
261 . 1 . 1 30 30 GLY HA2 H 1 4.086 0.002 . 2 . . . . A 30 GLY HA2 . 31010 1
262 . 1 . 1 30 30 GLY HA3 H 1 4.086 0.002 . 2 . . . . A 30 GLY HA3 . 31010 1
263 . 1 . 1 30 30 GLY CA C 13 46.626 0.000 . 1 . . . . A 30 GLY CA . 31010 1
264 . 1 . 1 30 30 GLY N N 15 105.189 0.000 . 1 . . . . A 30 GLY N . 31010 1
265 . 1 . 1 31 31 MET H H 1 8.209 0.001 . 1 . . . . A 31 MET H . 31010 1
266 . 1 . 1 31 31 MET HA H 1 4.713 0.007 . 1 . . . . A 31 MET HA . 31010 1
267 . 1 . 1 31 31 MET HB2 H 1 1.914 0.002 . 2 . . . . A 31 MET HB2 . 31010 1
268 . 1 . 1 31 31 MET HB3 H 1 1.851 0.005 . 2 . . . . A 31 MET HB3 . 31010 1
269 . 1 . 1 31 31 MET HG2 H 1 2.457 0.008 . 2 . . . . A 31 MET HG2 . 31010 1
270 . 1 . 1 31 31 MET HG3 H 1 2.440 0.008 . 2 . . . . A 31 MET HG3 . 31010 1
271 . 1 . 1 31 31 MET CA C 13 56.564 0.000 . 1 . . . . A 31 MET CA . 31010 1
272 . 1 . 1 31 31 MET CB C 13 36.169 0.011 . 1 . . . . A 31 MET CB . 31010 1
273 . 1 . 1 31 31 MET CG C 13 31.704 0.000 . 1 . . . . A 31 MET CG . 31010 1
274 . 1 . 1 31 31 MET N N 15 117.624 0.000 . 1 . . . . A 31 MET N . 31010 1
275 . 1 . 1 32 32 TYR H H 1 7.417 0.002 . 1 . . . . A 32 TYR H . 31010 1
276 . 1 . 1 32 32 TYR HA H 1 5.005 0.004 . 1 . . . . A 32 TYR HA . 31010 1
277 . 1 . 1 32 32 TYR HB2 H 1 2.971 0.006 . 2 . . . . A 32 TYR HB2 . 31010 1
278 . 1 . 1 32 32 TYR HB3 H 1 2.820 0.004 . 2 . . . . A 32 TYR HB3 . 31010 1
279 . 1 . 1 32 32 TYR HD1 H 1 6.858 0.002 . 3 . . . . A 32 TYR HD1 . 31010 1
280 . 1 . 1 32 32 TYR HD2 H 1 6.858 0.002 . 3 . . . . A 32 TYR HD2 . 31010 1
281 . 1 . 1 32 32 TYR HE1 H 1 6.724 0.002 . 3 . . . . A 32 TYR HE1 . 31010 1
282 . 1 . 1 32 32 TYR HE2 H 1 6.724 0.002 . 3 . . . . A 32 TYR HE2 . 31010 1
283 . 1 . 1 32 32 TYR CA C 13 55.850 0.000 . 1 . . . . A 32 TYR CA . 31010 1
284 . 1 . 1 32 32 TYR CB C 13 40.964 0.005 . 1 . . . . A 32 TYR CB . 31010 1
285 . 1 . 1 32 32 TYR N N 15 114.467 0.000 . 1 . . . . A 32 TYR N . 31010 1
286 . 1 . 1 33 33 CYS H H 1 8.775 0.003 . 1 . . . . A 33 CYS H . 31010 1
287 . 1 . 1 33 33 CYS HA H 1 5.384 0.009 . 1 . . . . A 33 CYS HA . 31010 1
288 . 1 . 1 33 33 CYS HB2 H 1 2.752 0.005 . 2 . . . . A 33 CYS HB2 . 31010 1
289 . 1 . 1 33 33 CYS HB3 H 1 2.529 0.006 . 2 . . . . A 33 CYS HB3 . 31010 1
290 . 1 . 1 33 33 CYS CA C 13 53.923 0.000 . 1 . . . . A 33 CYS CA . 31010 1
291 . 1 . 1 33 33 CYS CB C 13 39.984 0.011 . 1 . . . . A 33 CYS CB . 31010 1
292 . 1 . 1 33 33 CYS N N 15 117.397 0.000 . 1 . . . . A 33 CYS N . 31010 1
293 . 1 . 1 34 34 ALA H H 1 9.205 0.003 . 1 . . . . A 34 ALA H . 31010 1
294 . 1 . 1 34 34 ALA HA H 1 4.908 0.009 . 1 . . . . A 34 ALA HA . 31010 1
295 . 1 . 1 34 34 ALA HB1 H 1 1.480 0.001 . 1 . . . . A 34 ALA HB1 . 31010 1
296 . 1 . 1 34 34 ALA HB2 H 1 1.480 0.001 . 1 . . . . A 34 ALA HB2 . 31010 1
297 . 1 . 1 34 34 ALA HB3 H 1 1.480 0.001 . 1 . . . . A 34 ALA HB3 . 31010 1
298 . 1 . 1 34 34 ALA CA C 13 50.582 0.000 . 1 . . . . A 34 ALA CA . 31010 1
299 . 1 . 1 34 34 ALA CB C 13 22.378 0.000 . 1 . . . . A 34 ALA CB . 31010 1
300 . 1 . 1 34 34 ALA N N 15 126.179 0.000 . 1 . . . . A 34 ALA N . 31010 1
301 . 1 . 1 35 35 CYS H H 1 8.833 0.002 . 1 . . . . A 35 CYS H . 31010 1
302 . 1 . 1 35 35 CYS HA H 1 5.643 0.006 . 1 . . . . A 35 CYS HA . 31010 1
303 . 1 . 1 35 35 CYS HB2 H 1 3.501 0.007 . 2 . . . . A 35 CYS HB2 . 31010 1
304 . 1 . 1 35 35 CYS HB3 H 1 2.747 0.002 . 2 . . . . A 35 CYS HB3 . 31010 1
305 . 1 . 1 35 35 CYS CA C 13 52.066 0.000 . 1 . . . . A 35 CYS CA . 31010 1
306 . 1 . 1 35 35 CYS CB C 13 36.980 0.012 . 1 . . . . A 35 CYS CB . 31010 1
307 . 1 . 1 35 35 CYS N N 15 118.867 0.000 . 1 . . . . A 35 CYS N . 31010 1
308 . 1 . 1 36 36 MET H H 1 8.859 0.003 . 1 . . . . A 36 MET H . 31010 1
309 . 1 . 1 36 36 MET HA H 1 4.422 0.002 . 1 . . . . A 36 MET HA . 31010 1
310 . 1 . 1 36 36 MET HB2 H 1 2.169 0.001 . 2 . . . . A 36 MET HB2 . 31010 1
311 . 1 . 1 36 36 MET HB3 H 1 2.000 0.003 . 2 . . . . A 36 MET HB3 . 31010 1
312 . 1 . 1 36 36 MET HG2 H 1 2.433 0.002 . 2 . . . . A 36 MET HG2 . 31010 1
313 . 1 . 1 36 36 MET HG3 H 1 2.429 0.008 . 2 . . . . A 36 MET HG3 . 31010 1
314 . 1 . 1 36 36 MET CA C 13 56.179 0.000 . 1 . . . . A 36 MET CA . 31010 1
315 . 1 . 1 36 36 MET CB C 13 33.259 0.014 . 1 . . . . A 36 MET CB . 31010 1
316 . 1 . 1 36 36 MET CG C 13 32.220 0.000 . 1 . . . . A 36 MET CG . 31010 1
317 . 1 . 1 36 36 MET N N 15 125.198 0.000 . 1 . . . . A 36 MET N . 31010 1
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