Content for NMR-STAR saveframe, "assigned_chem_shift_list_1_2"
save_assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Entry_ID 26004
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Standard
_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
9 '2D 1H-15N HSQC/HMQC' 2 $15N isotropic 26004 2
10 '2D 1H-15N HSQC/HMQC' 2 $15N isotropic 26004 2
11 '2D 1H-1H TOCSY' 2 $15N isotropic 26004 2
12 '2D 1H-1H NOESY' 2 $15N isotropic 26004 2
13 '3D 1H-15N NOESY' 2 $15N isotropic 26004 2
14 '3D 1H-15N TOCSY' 2 $15N isotropic 26004 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
4 $CcpNmr_Analysis . . 26004 2
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 ASP HA H 1 4.197 0.003 . 1 . . . . . 1 ASP HA . 26004 2
2 . 1 1 1 1 ASP HB2 H 1 2.644 0.001 . 2 . . . . . 1 ASP HB2 . 26004 2
3 . 1 1 1 1 ASP HB3 H 1 2.780 0.002 . 2 . . . . . 1 ASP HB3 . 26004 2
4 . 1 1 2 2 GLU H H 1 8.726 0.003 . 1 . . . . . 2 GLU H . 26004 2
5 . 1 1 2 2 GLU HA H 1 4.358 0.005 . 1 . . . . . 2 GLU HA . 26004 2
6 . 1 1 2 2 GLU HB2 H 1 2.009 0.002 . 2 . . . . . 2 GLU HB2 . 26004 2
7 . 1 1 2 2 GLU HB3 H 1 1.864 0.004 . 2 . . . . . 2 GLU HB3 . 26004 2
8 . 1 1 2 2 GLU HG2 H 1 2.222 0.006 . 1 . . . . . 2 GLU HG2 . 26004 2
9 . 1 1 2 2 GLU HG3 H 1 2.222 0.006 . 1 . . . . . 2 GLU HG3 . 26004 2
10 . 1 1 2 2 GLU N N 15 120.957 0.018 . 1 . . . . . 2 GLU N . 26004 2
11 . 1 1 3 3 THR H H 1 8.254 0.003 . 1 . . . . . 3 THR H . 26004 2
12 . 1 1 3 3 THR HA H 1 4.312 0.000 . 1 . . . . . 3 THR HA . 26004 2
13 . 1 1 3 3 THR HB H 1 3.997 0.001 . 1 . . . . . 3 THR HB . 26004 2
14 . 1 1 3 3 THR HG21 H 1 1.121 0.004 . 1 . . . . . 3 THR HG21 . 26004 2
15 . 1 1 3 3 THR HG22 H 1 1.121 0.004 . 1 . . . . . 3 THR HG22 . 26004 2
16 . 1 1 3 3 THR HG23 H 1 1.121 0.004 . 1 . . . . . 3 THR HG23 . 26004 2
17 . 1 1 3 3 THR N N 15 118.282 0.011 . 1 . . . . . 3 THR N . 26004 2
18 . 1 1 4 4 PRO HA H 1 4.283 0.002 . 1 . . . . . 4 PRO HA . 26004 2
19 . 1 1 4 4 PRO HB2 H 1 1.838 0.005 . 2 . . . . . 4 PRO HB2 . 26004 2
20 . 1 1 4 4 PRO HB3 H 1 2.084 0.005 . 2 . . . . . 4 PRO HB3 . 26004 2
21 . 1 1 4 4 PRO HG2 H 1 1.691 0.008 . 2 . . . . . 4 PRO HG2 . 26004 2
22 . 1 1 4 4 PRO HG3 H 1 1.766 0.003 . 2 . . . . . 4 PRO HG3 . 26004 2
23 . 1 1 4 4 PRO HD2 H 1 3.250 0.002 . 2 . . . . . 4 PRO HD2 . 26004 2
24 . 1 1 4 4 PRO HD3 H 1 3.273 0.003 . 2 . . . . . 4 PRO HD3 . 26004 2
25 . 1 1 5 5 ASP H H 1 8.317 0.002 . 1 . . . . . 5 ASP H . 26004 2
26 . 1 1 5 5 ASP HA H 1 4.423 0.002 . 1 . . . . . 5 ASP HA . 26004 2
27 . 1 1 5 5 ASP HB2 H 1 2.543 0.002 . 2 . . . . . 5 ASP HB2 . 26004 2
28 . 1 1 5 5 ASP HB3 H 1 2.640 0.001 . 2 . . . . . 5 ASP HB3 . 26004 2
29 . 1 1 5 5 ASP N N 15 120.282 0.004 . 1 . . . . . 5 ASP N . 26004 2
30 . 1 1 6 6 GLU H H 1 7.970 0.004 . 1 . . . . . 6 GLU H . 26004 2
31 . 1 1 6 6 GLU HA H 1 4.358 0.002 . 1 . . . . . 6 GLU HA . 26004 2
32 . 1 1 6 6 GLU HB2 H 1 1.838 0.005 . 2 . . . . . 6 GLU HB2 . 26004 2
33 . 1 1 6 6 GLU HB3 H 1 2.006 0.003 . 2 . . . . . 6 GLU HB3 . 26004 2
34 . 1 1 6 6 GLU HG3 H 1 2.236 0.001 . 1 . . . . . 6 GLU HG3 . 26004 2
35 . 1 1 6 6 GLU N N 15 119.636 0.013 . 1 . . . . . 6 GLU N . 26004 2
36 . 1 1 7 7 CYS H H 1 8.013 0.003 . 1 . . . . . 7 CYS H . 26004 2
37 . 1 1 7 7 CYS HA H 1 4.674 0.003 . 1 . . . . . 7 CYS HA . 26004 2
38 . 1 1 7 7 CYS HB2 H 1 2.923 0.002 . 1 . . . . . 7 CYS HB2 . 26004 2
39 . 1 1 7 7 CYS HB3 H 1 2.923 0.002 . 1 . . . . . 7 CYS HB3 . 26004 2
40 . 1 1 7 7 CYS N N 15 118.046 0.045 . 1 . . . . . 7 CYS N . 26004 2
41 . 1 1 8 8 VAL H H 1 8.802 0.005 . 1 . . . . . 8 VAL H . 26004 2
42 . 1 1 8 8 VAL HA H 1 4.055 0.009 . 1 . . . . . 8 VAL HA . 26004 2
43 . 1 1 8 8 VAL HB H 1 1.834 0.003 . 1 . . . . . 8 VAL HB . 26004 2
44 . 1 1 8 8 VAL HG11 H 1 0.984 0.007 . 2 . . . . . 8 VAL HG11 . 26004 2
45 . 1 1 8 8 VAL HG12 H 1 0.984 0.007 . 2 . . . . . 8 VAL HG12 . 26004 2
46 . 1 1 8 8 VAL HG13 H 1 0.984 0.007 . 2 . . . . . 8 VAL HG13 . 26004 2
47 . 1 1 8 8 VAL HG21 H 1 1.003 0.013 . 2 . . . . . 8 VAL HG21 . 26004 2
48 . 1 1 8 8 VAL HG22 H 1 1.003 0.013 . 2 . . . . . 8 VAL HG22 . 26004 2
49 . 1 1 8 8 VAL HG23 H 1 1.003 0.013 . 2 . . . . . 8 VAL HG23 . 26004 2
50 . 1 1 8 8 VAL N N 15 122.573 0.037 . 1 . . . . . 8 VAL N . 26004 2
51 . 1 1 9 9 THR H H 1 8.106 0.008 . 1 . . . . . 9 THR H . 26004 2
52 . 1 1 9 9 THR HA H 1 4.041 0.003 . 1 . . . . . 9 THR HA . 26004 2
53 . 1 1 9 9 THR HB H 1 4.410 0.007 . 1 . . . . . 9 THR HB . 26004 2
54 . 1 1 9 9 THR HG21 H 1 1.188 0.012 . 1 . . . . . 9 THR HG21 . 26004 2
55 . 1 1 9 9 THR HG22 H 1 1.188 0.012 . 1 . . . . . 9 THR HG22 . 26004 2
56 . 1 1 9 9 THR HG23 H 1 1.188 0.012 . 1 . . . . . 9 THR HG23 . 26004 2
57 . 1 1 9 9 THR N N 15 116.738 0.015 . 1 . . . . . 9 THR N . 26004 2
58 . 1 1 10 10 ARG H H 1 8.014 0.002 . 1 . . . . . 10 ARG H . 26004 2
59 . 1 1 10 10 ARG HA H 1 3.598 0.005 . 1 . . . . . 10 ARG HA . 26004 2
60 . 1 1 10 10 ARG HB2 H 1 1.646 0.010 . 2 . . . . . 10 ARG HB2 . 26004 2
61 . 1 1 10 10 ARG HB3 H 1 1.721 0.006 . 2 . . . . . 10 ARG HB3 . 26004 2
62 . 1 1 10 10 ARG HG2 H 1 1.482 0.002 . 2 . . . . . 10 ARG HG2 . 26004 2
63 . 1 1 10 10 ARG HG3 H 1 1.556 0.005 . 2 . . . . . 10 ARG HG3 . 26004 2
64 . 1 1 10 10 ARG HD2 H 1 3.125 0.005 . 2 . . . . . 10 ARG HD2 . 26004 2
65 . 1 1 10 10 ARG HD3 H 1 3.214 0.003 . 2 . . . . . 10 ARG HD3 . 26004 2
66 . 1 1 10 10 ARG HE H 1 7.269 0.005 . 1 . . . . . 10 ARG HE . 26004 2
67 . 1 1 10 10 ARG N N 15 118.180 0.011 . 1 . . . . . 10 ARG N . 26004 2
68 . 1 1 10 10 ARG NE N 15 83.704 0.011 . 1 . . . . . 10 ARG NE . 26004 2
69 . 1 1 11 11 GLY H H 1 9.747 0.004 . 1 . . . . . 11 GLY H . 26004 2
70 . 1 1 11 11 GLY HA2 H 1 3.611 0.004 . 2 . . . . . 11 GLY HA2 . 26004 2
71 . 1 1 11 11 GLY HA3 H 1 4.203 0.006 . 2 . . . . . 11 GLY HA3 . 26004 2
72 . 1 1 11 11 GLY N N 15 114.225 0.003 . 1 . . . . . 11 GLY N . 26004 2
73 . 1 1 12 12 ASN H H 1 7.636 0.004 . 1 . . . . . 12 ASN H . 26004 2
74 . 1 1 12 12 ASN HA H 1 4.944 0.003 . 1 . . . . . 12 ASN HA . 26004 2
75 . 1 1 12 12 ASN HB2 H 1 2.751 0.007 . 2 . . . . . 12 ASN HB2 . 26004 2
76 . 1 1 12 12 ASN HB3 H 1 2.815 0.005 . 2 . . . . . 12 ASN HB3 . 26004 2
77 . 1 1 12 12 ASN HD21 H 1 6.935 0.002 . 1 . . . . . 12 ASN HD21 . 26004 2
78 . 1 1 12 12 ASN HD22 H 1 6.826 0.003 . 1 . . . . . 12 ASN HD22 . 26004 2
79 . 1 1 12 12 ASN N N 15 118.972 0.005 . 1 . . . . . 12 ASN N . 26004 2
80 . 1 1 12 12 ASN ND2 N 15 115.076 0.004 . 1 . . . . . 12 ASN ND2 . 26004 2
81 . 1 1 13 13 PHE H H 1 8.213 0.003 . 1 . . . . . 13 PHE H . 26004 2
82 . 1 1 13 13 PHE HA H 1 4.656 0.004 . 1 . . . . . 13 PHE HA . 26004 2
83 . 1 1 13 13 PHE HB2 H 1 2.776 0.003 . 2 . . . . . 13 PHE HB2 . 26004 2
84 . 1 1 13 13 PHE HB3 H 1 3.146 0.006 . 2 . . . . . 13 PHE HB3 . 26004 2
85 . 1 1 13 13 PHE HD1 H 1 7.176 0.001 . 1 . . . . . 13 PHE HD1 . 26004 2
86 . 1 1 13 13 PHE HD2 H 1 7.176 0.001 . 1 . . . . . 13 PHE HD2 . 26004 2
87 . 1 1 13 13 PHE HE1 H 1 7.176 0.001 . 1 . . . . . 13 PHE HE1 . 26004 2
88 . 1 1 13 13 PHE HE2 H 1 7.176 0.001 . 1 . . . . . 13 PHE HE2 . 26004 2
89 . 1 1 13 13 PHE HZ H 1 7.176 0.001 . 1 . . . . . 13 PHE HZ . 26004 2
90 . 1 1 13 13 PHE N N 15 118.089 0.001 . 1 . . . . . 13 PHE N . 26004 2
91 . 1 1 14 14 CYS H H 1 6.958 0.004 . 1 . . . . . 14 CYS H . 26004 2
92 . 1 1 14 14 CYS HA H 1 4.453 0.004 . 1 . . . . . 14 CYS HA . 26004 2
93 . 1 1 14 14 CYS HB2 H 1 2.745 0.013 . 2 . . . . . 14 CYS HB2 . 26004 2
94 . 1 1 14 14 CYS HB3 H 1 2.912 0.000 . 2 . . . . . 14 CYS HB3 . 26004 2
95 . 1 1 14 14 CYS N N 15 121.542 0.017 . 1 . . . . . 14 CYS N . 26004 2
96 . 1 1 15 15 ALA HA H 1 3.902 0.002 . 1 . . . . . 15 ALA HA . 26004 2
97 . 1 1 15 15 ALA HB1 H 1 0.986 0.013 . 1 . . . . . 15 ALA HB1 . 26004 2
98 . 1 1 15 15 ALA HB2 H 1 0.986 0.013 . 1 . . . . . 15 ALA HB2 . 26004 2
99 . 1 1 15 15 ALA HB3 H 1 0.986 0.013 . 1 . . . . . 15 ALA HB3 . 26004 2
100 . 1 1 16 16 THR H H 1 8.123 0.003 . 1 . . . . . 16 THR H . 26004 2
101 . 1 1 16 16 THR HA H 1 4.148 0.008 . 1 . . . . . 16 THR HA . 26004 2
102 . 1 1 16 16 THR HB H 1 4.118 0.006 . 1 . . . . . 16 THR HB . 26004 2
103 . 1 1 16 16 THR HG21 H 1 1.213 0.004 . 1 . . . . . 16 THR HG21 . 26004 2
104 . 1 1 16 16 THR HG22 H 1 1.213 0.004 . 1 . . . . . 16 THR HG22 . 26004 2
105 . 1 1 16 16 THR HG23 H 1 1.213 0.004 . 1 . . . . . 16 THR HG23 . 26004 2
106 . 1 1 16 16 THR N N 15 115.132 0.005 . 1 . . . . . 16 THR N . 26004 2
107 . 1 1 17 17 PRO HA H 1 4.143 0.001 . 1 . . . . . 17 PRO HA . 26004 2
108 . 1 1 17 17 PRO HB2 H 1 1.754 0.003 . 2 . . . . . 17 PRO HB2 . 26004 2
109 . 1 1 17 17 PRO HB3 H 1 1.892 0.002 . 2 . . . . . 17 PRO HB3 . 26004 2
110 . 1 1 17 17 PRO HG2 H 1 1.873 0.001 . 2 . . . . . 17 PRO HG2 . 26004 2
111 . 1 1 17 17 PRO HG3 H 1 1.922 0.001 . 2 . . . . . 17 PRO HG3 . 26004 2
112 . 1 1 17 17 PRO HD2 H 1 3.693 0.004 . 2 . . . . . 17 PRO HD2 . 26004 2
113 . 1 1 17 17 PRO HD3 H 1 3.630 0.002 . 2 . . . . . 17 PRO HD3 . 26004 2
114 . 1 1 18 18 GLU H H 1 8.841 0.003 . 1 . . . . . 18 GLU H . 26004 2
115 . 1 1 18 18 GLU HA H 1 4.096 0.004 . 1 . . . . . 18 GLU HA . 26004 2
116 . 1 1 18 18 GLU HB2 H 1 1.934 0.003 . 2 . . . . . 18 GLU HB2 . 26004 2
117 . 1 1 18 18 GLU HB3 H 1 1.977 0.007 . 2 . . . . . 18 GLU HB3 . 26004 2
118 . 1 1 18 18 GLU HG2 H 1 2.248 0.009 . 1 . . . . . 18 GLU HG2 . 26004 2
119 . 1 1 18 18 GLU HG3 H 1 2.248 0.009 . 1 . . . . . 18 GLU HG3 . 26004 2
120 . 1 1 18 18 GLU N N 15 119.798 0.008 . 1 . . . . . 18 GLU N . 26004 2
121 . 1 1 19 19 VAL H H 1 7.492 0.005 . 1 . . . . . 19 VAL H . 26004 2
122 . 1 1 19 19 VAL HA H 1 4.002 0.002 . 1 . . . . . 19 VAL HA . 26004 2
123 . 1 1 19 19 VAL HB H 1 1.861 0.003 . 1 . . . . . 19 VAL HB . 26004 2
124 . 1 1 19 19 VAL HG11 H 1 0.620 0.001 . 2 . . . . . 19 VAL HG11 . 26004 2
125 . 1 1 19 19 VAL HG12 H 1 0.620 0.001 . 2 . . . . . 19 VAL HG12 . 26004 2
126 . 1 1 19 19 VAL HG13 H 1 0.620 0.001 . 2 . . . . . 19 VAL HG13 . 26004 2
127 . 1 1 19 19 VAL HG21 H 1 0.794 0.003 . 2 . . . . . 19 VAL HG21 . 26004 2
128 . 1 1 19 19 VAL HG22 H 1 0.794 0.003 . 2 . . . . . 19 VAL HG22 . 26004 2
129 . 1 1 19 19 VAL HG23 H 1 0.794 0.003 . 2 . . . . . 19 VAL HG23 . 26004 2
130 . 1 1 19 19 VAL N N 15 116.510 0.013 . 1 . . . . . 19 VAL N . 26004 2
131 . 1 1 20 20 HIS H H 1 8.067 0.002 . 1 . . . . . 20 HIS H . 26004 2
132 . 1 1 20 20 HIS HA H 1 4.587 0.000 . 1 . . . . . 20 HIS HA . 26004 2
133 . 1 1 20 20 HIS HB2 H 1 3.312 0.001 . 2 . . . . . 20 HIS HB2 . 26004 2
134 . 1 1 20 20 HIS HB3 H 1 2.950 0.002 . 2 . . . . . 20 HIS HB3 . 26004 2
135 . 1 1 20 20 HIS HD2 H 1 7.230 0.001 . 1 . . . . . 20 HIS HD2 . 26004 2
136 . 1 1 20 20 HIS HE1 H 1 8.438 0.002 . 1 . . . . . 20 HIS HE1 . 26004 2
137 . 1 1 20 20 HIS N N 15 116.939 0.013 . 1 . . . . . 20 HIS N . 26004 2
138 . 1 1 21 21 GLY H H 1 8.010 0.003 . 1 . . . . . 21 GLY H . 26004 2
139 . 1 1 21 21 GLY HA2 H 1 3.774 0.003 . 2 . . . . . 21 GLY HA2 . 26004 2
140 . 1 1 21 21 GLY HA3 H 1 3.999 0.005 . 2 . . . . . 21 GLY HA3 . 26004 2
141 . 1 1 21 21 GLY N N 15 109.239 0.007 . 1 . . . . . 21 GLY N . 26004 2
142 . 1 1 22 22 ASP H H 1 8.258 0.003 . 1 . . . . . 22 ASP H . 26004 2
143 . 1 1 22 22 ASP HA H 1 4.559 0.002 . 1 . . . . . 22 ASP HA . 26004 2
144 . 1 1 22 22 ASP HB2 H 1 2.432 0.004 . 2 . . . . . 22 ASP HB2 . 26004 2
145 . 1 1 22 22 ASP HB3 H 1 2.778 0.003 . 2 . . . . . 22 ASP HB3 . 26004 2
146 . 1 1 22 22 ASP N N 15 119.684 0.026 . 1 . . . . . 22 ASP N . 26004 2
147 . 1 1 23 23 TRP H H 1 8.329 0.004 . 1 . . . . . 23 TRP H . 26004 2
148 . 1 1 23 23 TRP HA H 1 4.718 0.004 . 1 . . . . . 23 TRP HA . 26004 2
149 . 1 1 23 23 TRP HB2 H 1 2.977 0.002 . 2 . . . . . 23 TRP HB2 . 26004 2
150 . 1 1 23 23 TRP HB3 H 1 3.440 0.001 . 2 . . . . . 23 TRP HB3 . 26004 2
151 . 1 1 23 23 TRP HD1 H 1 7.081 0.001 . 1 . . . . . 23 TRP HD1 . 26004 2
152 . 1 1 23 23 TRP HE1 H 1 9.872 0.002 . 1 . . . . . 23 TRP HE1 . 26004 2
153 . 1 1 23 23 TRP HE3 H 1 7.586 0.002 . 1 . . . . . 23 TRP HE3 . 26004 2
154 . 1 1 23 23 TRP HZ2 H 1 7.371 0.005 . 1 . . . . . 23 TRP HZ2 . 26004 2
155 . 1 1 23 23 TRP HZ3 H 1 7.082 0.001 . 1 . . . . . 23 TRP HZ3 . 26004 2
156 . 1 1 23 23 TRP HH2 H 1 7.134 0.002 . 1 . . . . . 23 TRP HH2 . 26004 2
157 . 1 1 23 23 TRP N N 15 123.781 0.012 . 1 . . . . . 23 TRP N . 26004 2
158 . 1 1 23 23 TRP NE1 N 15 128.781 0.000 . 1 . . . . . 23 TRP NE1 . 26004 2
159 . 1 1 24 24 CYS H H 1 8.843 0.005 . 1 . . . . . 24 CYS H . 26004 2
160 . 1 1 24 24 CYS HA H 1 4.928 0.005 . 1 . . . . . 24 CYS HA . 26004 2
161 . 1 1 24 24 CYS HB2 H 1 2.589 0.003 . 2 . . . . . 24 CYS HB2 . 26004 2
162 . 1 1 24 24 CYS HB3 H 1 2.792 0.007 . 2 . . . . . 24 CYS HB3 . 26004 2
163 . 1 1 24 24 CYS N N 15 119.855 0.025 . 1 . . . . . 24 CYS N . 26004 2
164 . 1 1 25 25 CYS H H 1 9.297 0.003 . 1 . . . . . 25 CYS H . 26004 2
165 . 1 1 25 25 CYS HA H 1 4.426 0.004 . 1 . . . . . 25 CYS HA . 26004 2
166 . 1 1 25 25 CYS HB2 H 1 3.172 0.010 . 2 . . . . . 25 CYS HB2 . 26004 2
167 . 1 1 25 25 CYS HB3 H 1 2.489 0.002 . 2 . . . . . 25 CYS HB3 . 26004 2
168 . 1 1 25 25 CYS N N 15 120.836 0.006 . 1 . . . . . 25 CYS N . 26004 2
169 . 1 1 26 26 GLY H H 1 8.656 0.004 . 1 . . . . . 26 GLY H . 26004 2
170 . 1 1 26 26 GLY HA2 H 1 3.736 0.002 . 1 . . . . . 26 GLY HA2 . 26004 2
171 . 1 1 26 26 GLY HA3 H 1 3.736 0.002 . 1 . . . . . 26 GLY HA3 . 26004 2
172 . 1 1 26 26 GLY N N 15 108.144 0.005 . 1 . . . . . 26 GLY N . 26004 2
173 . 1 1 27 27 SER H H 1 8.645 0.004 . 1 . . . . . 27 SER H . 26004 2
174 . 1 1 27 27 SER HA H 1 4.384 0.001 . 1 . . . . . 27 SER HA . 26004 2
175 . 1 1 27 27 SER HB2 H 1 3.838 0.009 . 2 . . . . . 27 SER HB2 . 26004 2
176 . 1 1 27 27 SER HB3 H 1 3.978 0.005 . 2 . . . . . 27 SER HB3 . 26004 2
177 . 1 1 27 27 SER N N 15 119.826 0.021 . 1 . . . . . 27 SER N . 26004 2
178 . 1 1 28 28 LEU H H 1 7.844 0.005 . 1 . . . . . 28 LEU H . 26004 2
179 . 1 1 28 28 LEU HA H 1 4.298 0.002 . 1 . . . . . 28 LEU HA . 26004 2
180 . 1 1 28 28 LEU HB2 H 1 1.108 0.004 . 2 . . . . . 28 LEU HB2 . 26004 2
181 . 1 1 28 28 LEU HB3 H 1 2.061 0.002 . 2 . . . . . 28 LEU HB3 . 26004 2
182 . 1 1 28 28 LEU HG H 1 1.671 0.007 . 1 . . . . . 28 LEU HG . 26004 2
183 . 1 1 28 28 LEU HD11 H 1 0.670 0.005 . 2 . . . . . 28 LEU HD11 . 26004 2
184 . 1 1 28 28 LEU HD12 H 1 0.670 0.005 . 2 . . . . . 28 LEU HD12 . 26004 2
185 . 1 1 28 28 LEU HD13 H 1 0.670 0.005 . 2 . . . . . 28 LEU HD13 . 26004 2
186 . 1 1 28 28 LEU HD21 H 1 0.808 0.002 . 2 . . . . . 28 LEU HD21 . 26004 2
187 . 1 1 28 28 LEU HD22 H 1 0.808 0.002 . 2 . . . . . 28 LEU HD22 . 26004 2
188 . 1 1 28 28 LEU HD23 H 1 0.808 0.002 . 2 . . . . . 28 LEU HD23 . 26004 2
189 . 1 1 28 28 LEU N N 15 122.997 0.064 . 1 . . . . . 28 LEU N . 26004 2
190 . 1 1 29 29 LYS H H 1 9.192 0.009 . 1 . . . . . 29 LYS H . 26004 2
191 . 1 1 29 29 LYS HA H 1 4.620 0.004 . 1 . . . . . 29 LYS HA . 26004 2
192 . 1 1 29 29 LYS HB2 H 1 1.561 0.002 . 1 . . . . . 29 LYS HB2 . 26004 2
193 . 1 1 29 29 LYS HB3 H 1 1.561 0.002 . 1 . . . . . 29 LYS HB3 . 26004 2
194 . 1 1 29 29 LYS HG2 H 1 1.279 0.001 . 2 . . . . . 29 LYS HG2 . 26004 2
195 . 1 1 29 29 LYS HG3 H 1 1.345 0.004 . 2 . . . . . 29 LYS HG3 . 26004 2
196 . 1 1 29 29 LYS HD2 H 1 1.568 0.001 . 2 . . . . . 29 LYS HD2 . 26004 2
197 . 1 1 29 29 LYS HD3 H 1 1.575 0.000 . 2 . . . . . 29 LYS HD3 . 26004 2
198 . 1 1 29 29 LYS HE2 H 1 2.888 0.002 . 1 . . . . . 29 LYS HE2 . 26004 2
199 . 1 1 29 29 LYS HE3 H 1 2.888 0.002 . 1 . . . . . 29 LYS HE3 . 26004 2
200 . 1 1 29 29 LYS HZ1 H 1 7.400 0.000 . 1 . . . . . 29 LYS HZ1 . 26004 2
201 . 1 1 29 29 LYS HZ2 H 1 7.400 0.000 . 1 . . . . . 29 LYS HZ2 . 26004 2
202 . 1 1 29 29 LYS HZ3 H 1 7.400 0.000 . 1 . . . . . 29 LYS HZ3 . 26004 2
203 . 1 1 29 29 LYS N N 15 119.085 0.018 . 1 . . . . . 29 LYS N . 26004 2
204 . 1 1 29 29 LYS NZ N 15 32.472 0.000 . 1 . . . . . 29 LYS NZ . 26004 2
205 . 1 1 30 30 CYS H H 1 8.817 0.003 . 1 . . . . . 30 CYS H . 26004 2
206 . 1 1 30 30 CYS HA H 1 4.579 0.015 . 1 . . . . . 30 CYS HA . 26004 2
207 . 1 1 30 30 CYS HB2 H 1 2.837 0.002 . 2 . . . . . 30 CYS HB2 . 26004 2
208 . 1 1 30 30 CYS HB3 H 1 2.759 0.001 . 2 . . . . . 30 CYS HB3 . 26004 2
209 . 1 1 30 30 CYS N N 15 122.358 0.002 . 1 . . . . . 30 CYS N . 26004 2
210 . 1 1 31 31 VAL H H 1 8.718 0.003 . 1 . . . . . 31 VAL H . 26004 2
211 . 1 1 31 31 VAL HA H 1 4.137 0.003 . 1 . . . . . 31 VAL HA . 26004 2
212 . 1 1 31 31 VAL HB H 1 1.761 0.003 . 1 . . . . . 31 VAL HB . 26004 2
213 . 1 1 31 31 VAL HG11 H 1 0.802 0.003 . 2 . . . . . 31 VAL HG11 . 26004 2
214 . 1 1 31 31 VAL HG12 H 1 0.802 0.003 . 2 . . . . . 31 VAL HG12 . 26004 2
215 . 1 1 31 31 VAL HG13 H 1 0.802 0.003 . 2 . . . . . 31 VAL HG13 . 26004 2
216 . 1 1 31 31 VAL HG21 H 1 0.844 0.000 . 2 . . . . . 31 VAL HG21 . 26004 2
217 . 1 1 31 31 VAL HG22 H 1 0.844 0.000 . 2 . . . . . 31 VAL HG22 . 26004 2
218 . 1 1 31 31 VAL HG23 H 1 0.844 0.000 . 2 . . . . . 31 VAL HG23 . 26004 2
219 . 1 1 31 31 VAL N N 15 133.261 0.001 . 1 . . . . . 31 VAL N . 26004 2
220 . 1 1 32 32 SER H H 1 9.226 0.003 . 1 . . . . . 32 SER H . 26004 2
221 . 1 1 32 32 SER HA H 1 4.071 0.002 . 1 . . . . . 32 SER HA . 26004 2
222 . 1 1 32 32 SER HB2 H 1 3.707 0.000 . 2 . . . . . 32 SER HB2 . 26004 2
223 . 1 1 32 32 SER HB3 H 1 3.800 0.018 . 2 . . . . . 32 SER HB3 . 26004 2
224 . 1 1 32 32 SER N N 15 124.893 0.046 . 1 . . . . . 32 SER N . 26004 2
225 . 1 1 33 33 ASN H H 1 8.567 0.006 . 1 . . . . . 33 ASN H . 26004 2
226 . 1 1 33 33 ASN HA H 1 4.110 0.003 . 1 . . . . . 33 ASN HA . 26004 2
227 . 1 1 33 33 ASN HB2 H 1 2.813 0.002 . 2 . . . . . 33 ASN HB2 . 26004 2
228 . 1 1 33 33 ASN HB3 H 1 3.117 0.003 . 2 . . . . . 33 ASN HB3 . 26004 2
229 . 1 1 33 33 ASN HD21 H 1 6.725 0.004 . 1 . . . . . 33 ASN HD21 . 26004 2
230 . 1 1 33 33 ASN HD22 H 1 7.774 0.002 . 1 . . . . . 33 ASN HD22 . 26004 2
231 . 1 1 33 33 ASN N N 15 106.971 0.019 . 1 . . . . . 33 ASN N . 26004 2
232 . 1 1 33 33 ASN ND2 N 15 109.998 0.001 . 1 . . . . . 33 ASN ND2 . 26004 2
233 . 1 1 34 34 SER H H 1 7.732 0.003 . 1 . . . . . 34 SER H . 26004 2
234 . 1 1 34 34 SER HA H 1 5.075 0.004 . 1 . . . . . 34 SER HA . 26004 2
235 . 1 1 34 34 SER HB2 H 1 3.388 0.003 . 2 . . . . . 34 SER HB2 . 26004 2
236 . 1 1 34 34 SER HB3 H 1 3.538 0.006 . 2 . . . . . 34 SER HB3 . 26004 2
237 . 1 1 34 34 SER N N 15 113.976 0.006 . 1 . . . . . 34 SER N . 26004 2
238 . 1 1 35 35 CYS H H 1 7.673 0.003 . 1 . . . . . 35 CYS H . 26004 2
239 . 1 1 35 35 CYS HA H 1 4.994 0.004 . 1 . . . . . 35 CYS HA . 26004 2
240 . 1 1 35 35 CYS HB2 H 1 2.573 0.001 . 2 . . . . . 35 CYS HB2 . 26004 2
241 . 1 1 35 35 CYS HB3 H 1 2.786 0.003 . 2 . . . . . 35 CYS HB3 . 26004 2
242 . 1 1 35 35 CYS N N 15 121.579 0.009 . 1 . . . . . 35 CYS N . 26004 2
243 . 1 1 36 36 ARG H H 1 9.741 0.005 . 1 . . . . . 36 ARG H . 26004 2
244 . 1 1 36 36 ARG HA H 1 4.401 0.000 . 1 . . . . . 36 ARG HA . 26004 2
245 . 1 1 36 36 ARG HB2 H 1 1.705 0.006 . 2 . . . . . 36 ARG HB2 . 26004 2
246 . 1 1 36 36 ARG HB3 H 1 1.885 0.007 . 2 . . . . . 36 ARG HB3 . 26004 2
247 . 1 1 36 36 ARG HG2 H 1 1.584 0.003 . 2 . . . . . 36 ARG HG2 . 26004 2
248 . 1 1 36 36 ARG HG3 H 1 1.625 0.006 . 2 . . . . . 36 ARG HG3 . 26004 2
249 . 1 1 36 36 ARG HD2 H 1 3.136 0.006 . 2 . . . . . 36 ARG HD2 . 26004 2
250 . 1 1 36 36 ARG HD3 H 1 3.018 0.006 . 2 . . . . . 36 ARG HD3 . 26004 2
251 . 1 1 36 36 ARG HE H 1 6.810 0.005 . 1 . . . . . 36 ARG HE . 26004 2
252 . 1 1 36 36 ARG N N 15 131.782 0.017 . 1 . . . . . 36 ARG N . 26004 2
253 . 1 1 36 36 ARG NE N 15 85.264 0.014 . 1 . . . . . 36 ARG NE . 26004 2
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