Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25071
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $MOPS_NMR_buffer
_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
;
NMR chemical shifts for the UBZ were intially assigned using a construct of
Rad18 residues 186-244. After the assignments were completed, a new construct
composed of residues 198-227 was made. The 13C-edited NOESY was recollected on
the 198-227 construct and confirmed that all assignments for residues 198-225
were consistent between the two constructs.
;
_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-15N HSQC' . . . 25071 1
2 '3D HNCO' . . . 25071 1
3 '3D HNCACB' . . . 25071 1
4 '3D HCCH-TOCSY' . . . 25071 1
5 '3D HBHA(CO)NH' . . . 25071 1
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
3 $CCPNmr_Analysis . . 25071 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.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 5 5 VAL H H 1 8.310 0.04 . 1 . . . A 199 VAL H . 25071 1
2 . 1 1 5 5 VAL HA H 1 4.183 0.04 . 1 . . . A 199 VAL HA . 25071 1
3 . 1 1 5 5 VAL HB H 1 2.072 0.04 . 1 . . . A 199 VAL HB . 25071 1
4 . 1 1 5 5 VAL C C 13 176.030 0.40 . 1 . . . A 199 VAL C . 25071 1
5 . 1 1 5 5 VAL CA C 13 62.222 0.40 . 1 . . . A 199 VAL CA . 25071 1
6 . 1 1 5 5 VAL CB C 13 32.946 0.40 . 1 . . . A 199 VAL CB . 25071 1
7 . 1 1 5 5 VAL N N 15 122.820 0.40 . 1 . . . A 199 VAL N . 25071 1
8 . 1 1 6 6 THR H H 1 8.520 0.04 . 1 . . . A 200 THR H . 25071 1
9 . 1 1 6 6 THR HA H 1 4.286 0.04 . 1 . . . A 200 THR HA . 25071 1
10 . 1 1 6 6 THR HB H 1 4.117 0.04 . 1 . . . A 200 THR HB . 25071 1
11 . 1 1 6 6 THR HG21 H 1 1.176 0.04 . 1 . . . A 200 THR HG21 . 25071 1
12 . 1 1 6 6 THR HG22 H 1 1.176 0.04 . 1 . . . A 200 THR HG22 . 25071 1
13 . 1 1 6 6 THR HG23 H 1 1.176 0.04 . 1 . . . A 200 THR HG23 . 25071 1
14 . 1 1 6 6 THR C C 13 174.130 0.40 . 1 . . . A 200 THR C . 25071 1
15 . 1 1 6 6 THR CA C 13 62.765 0.40 . 1 . . . A 200 THR CA . 25071 1
16 . 1 1 6 6 THR CB C 13 69.632 0.40 . 1 . . . A 200 THR CB . 25071 1
17 . 1 1 6 6 THR CG2 C 13 22.041 0.40 . 1 . . . A 200 THR CG2 . 25071 1
18 . 1 1 6 6 THR N N 15 121.314 0.40 . 1 . . . A 200 THR N . 25071 1
19 . 1 1 7 7 LYS H H 1 8.568 0.04 . 1 . . . A 201 LYS H . 25071 1
20 . 1 1 7 7 LYS HA H 1 4.797 0.04 . 1 . . . A 201 LYS HA . 25071 1
21 . 1 1 7 7 LYS HB2 H 1 1.606 0.04 . 2 . . . A 201 LYS HB2 . 25071 1
22 . 1 1 7 7 LYS HB3 H 1 1.512 0.04 . 2 . . . A 201 LYS HB3 . 25071 1
23 . 1 1 7 7 LYS HG2 H 1 1.418 0.04 . 2 . . . A 201 LYS HG2 . 25071 1
24 . 1 1 7 7 LYS HG3 H 1 0.991 0.04 . 2 . . . A 201 LYS HG3 . 25071 1
25 . 1 1 7 7 LYS HD2 H 1 1.488 0.04 . 2 . . . A 201 LYS HD2 . 25071 1
26 . 1 1 7 7 LYS HD3 H 1 1.488 0.04 . 2 . . . A 201 LYS HD3 . 25071 1
27 . 1 1 7 7 LYS HE2 H 1 2.813 0.04 . 2 . . . A 201 LYS HE2 . 25071 1
28 . 1 1 7 7 LYS HE3 H 1 2.819 0.04 . 2 . . . A 201 LYS HE3 . 25071 1
29 . 1 1 7 7 LYS C C 13 175.190 0.40 . 1 . . . A 201 LYS C . 25071 1
30 . 1 1 7 7 LYS CA C 13 55.333 0.40 . 1 . . . A 201 LYS CA . 25071 1
31 . 1 1 7 7 LYS CB C 13 35.146 0.40 . 1 . . . A 201 LYS CB . 25071 1
32 . 1 1 7 7 LYS CG C 13 25.133 0.40 . 1 . . . A 201 LYS CG . 25071 1
33 . 1 1 7 7 LYS CD C 13 29.036 0.40 . 1 . . . A 201 LYS CD . 25071 1
34 . 1 1 7 7 LYS CE C 13 41.981 0.40 . 1 . . . A 201 LYS CE . 25071 1
35 . 1 1 7 7 LYS N N 15 125.656 0.40 . 1 . . . A 201 LYS N . 25071 1
36 . 1 1 8 8 VAL H H 1 8.961 0.04 . 1 . . . A 202 VAL H . 25071 1
37 . 1 1 8 8 VAL HA H 1 4.408 0.04 . 1 . . . A 202 VAL HA . 25071 1
38 . 1 1 8 8 VAL HB H 1 2.046 0.04 . 1 . . . A 202 VAL HB . 25071 1
39 . 1 1 8 8 VAL HG11 H 1 0.835 0.04 . 2 . . . A 202 VAL HG11 . 25071 1
40 . 1 1 8 8 VAL HG12 H 1 0.835 0.04 . 2 . . . A 202 VAL HG12 . 25071 1
41 . 1 1 8 8 VAL HG13 H 1 0.835 0.04 . 2 . . . A 202 VAL HG13 . 25071 1
42 . 1 1 8 8 VAL HG21 H 1 0.771 0.04 . 2 . . . A 202 VAL HG21 . 25071 1
43 . 1 1 8 8 VAL HG22 H 1 0.771 0.04 . 2 . . . A 202 VAL HG22 . 25071 1
44 . 1 1 8 8 VAL HG23 H 1 0.771 0.04 . 2 . . . A 202 VAL HG23 . 25071 1
45 . 1 1 8 8 VAL C C 13 173.312 0.40 . 1 . . . A 202 VAL C . 25071 1
46 . 1 1 8 8 VAL CA C 13 59.547 0.40 . 1 . . . A 202 VAL CA . 25071 1
47 . 1 1 8 8 VAL CB C 13 35.288 0.40 . 1 . . . A 202 VAL CB . 25071 1
48 . 1 1 8 8 VAL CG1 C 13 21.312 0.40 . 2 . . . A 202 VAL CG1 . 25071 1
49 . 1 1 8 8 VAL CG2 C 13 19.274 0.40 . 2 . . . A 202 VAL CG2 . 25071 1
50 . 1 1 8 8 VAL N N 15 118.244 0.40 . 1 . . . A 202 VAL N . 25071 1
51 . 1 1 9 9 ASP H H 1 8.246 0.04 . 1 . . . A 203 ASP H . 25071 1
52 . 1 1 9 9 ASP HA H 1 5.072 0.04 . 1 . . . A 203 ASP HA . 25071 1
53 . 1 1 9 9 ASP HB2 H 1 2.315 0.04 . 2 . . . A 203 ASP HB2 . 25071 1
54 . 1 1 9 9 ASP HB3 H 1 2.187 0.04 . 2 . . . A 203 ASP HB3 . 25071 1
55 . 1 1 9 9 ASP C C 13 176.216 0.40 . 1 . . . A 203 ASP C . 25071 1
56 . 1 1 9 9 ASP CA C 13 52.630 0.40 . 1 . . . A 203 ASP CA . 25071 1
57 . 1 1 9 9 ASP CB C 13 41.028 0.40 . 1 . . . A 203 ASP CB . 25071 1
58 . 1 1 9 9 ASP N N 15 121.607 0.40 . 1 . . . A 203 ASP N . 25071 1
59 . 1 1 10 10 CYS H H 1 8.959 0.04 . 1 . . . A 204 CYS H . 25071 1
60 . 1 1 10 10 CYS HA H 1 4.503 0.04 . 1 . . . A 204 CYS HA . 25071 1
61 . 1 1 10 10 CYS HB2 H 1 2.499 0.04 . 2 . . . A 204 CYS HB2 . 25071 1
62 . 1 1 10 10 CYS HB3 H 1 3.201 0.04 . 2 . . . A 204 CYS HB3 . 25071 1
63 . 1 1 10 10 CYS CA C 13 57.078 0.40 . 1 . . . A 204 CYS CA . 25071 1
64 . 1 1 10 10 CYS CB C 13 30.833 0.40 . 1 . . . A 204 CYS CB . 25071 1
65 . 1 1 10 10 CYS N N 15 127.326 0.40 . 1 . . . A 204 CYS N . 25071 1
66 . 1 1 11 11 PRO HA H 1 4.463 0.04 . 1 . . . A 205 PRO HA . 25071 1
67 . 1 1 11 11 PRO HB2 H 1 2.062 0.04 . 2 . . . A 205 PRO HB2 . 25071 1
68 . 1 1 11 11 PRO HB3 H 1 2.367 0.04 . 2 . . . A 205 PRO HB3 . 25071 1
69 . 1 1 11 11 PRO HG2 H 1 2.175 0.04 . 2 . . . A 205 PRO HG2 . 25071 1
70 . 1 1 11 11 PRO HG3 H 1 2.022 0.04 . 2 . . . A 205 PRO HG3 . 25071 1
71 . 1 1 11 11 PRO HD2 H 1 4.343 0.04 . 2 . . . A 205 PRO HD2 . 25071 1
72 . 1 1 11 11 PRO HD3 H 1 3.943 0.04 . 2 . . . A 205 PRO HD3 . 25071 1
73 . 1 1 11 11 PRO C C 13 176.276 0.40 . 1 . . . A 205 PRO C . 25071 1
74 . 1 1 11 11 PRO CA C 13 64.302 0.40 . 1 . . . A 205 PRO CA . 25071 1
75 . 1 1 11 11 PRO CB C 13 32.321 0.40 . 1 . . . A 205 PRO CB . 25071 1
76 . 1 1 11 11 PRO CG C 13 26.930 0.40 . 1 . . . A 205 PRO CG . 25071 1
77 . 1 1 11 11 PRO CD C 13 51.335 0.40 . 1 . . . A 205 PRO CD . 25071 1
78 . 1 1 12 12 VAL H H 1 9.495 0.04 . 1 . . . A 206 VAL H . 25071 1
79 . 1 1 12 12 VAL HA H 1 3.958 0.04 . 1 . . . A 206 VAL HA . 25071 1
80 . 1 1 12 12 VAL HB H 1 2.440 0.04 . 1 . . . A 206 VAL HB . 25071 1
81 . 1 1 12 12 VAL HG11 H 1 0.814 0.04 . 2 . . . A 206 VAL HG11 . 25071 1
82 . 1 1 12 12 VAL HG12 H 1 0.814 0.04 . 2 . . . A 206 VAL HG12 . 25071 1
83 . 1 1 12 12 VAL HG13 H 1 0.814 0.04 . 2 . . . A 206 VAL HG13 . 25071 1
84 . 1 1 12 12 VAL HG21 H 1 0.871 0.04 . 2 . . . A 206 VAL HG21 . 25071 1
85 . 1 1 12 12 VAL HG22 H 1 0.871 0.04 . 2 . . . A 206 VAL HG22 . 25071 1
86 . 1 1 12 12 VAL HG23 H 1 0.871 0.04 . 2 . . . A 206 VAL HG23 . 25071 1
87 . 1 1 12 12 VAL C C 13 177.227 0.40 . 1 . . . A 206 VAL C . 25071 1
88 . 1 1 12 12 VAL CA C 13 65.208 0.40 . 1 . . . A 206 VAL CA . 25071 1
89 . 1 1 12 12 VAL CB C 13 32.551 0.40 . 1 . . . A 206 VAL CB . 25071 1
90 . 1 1 12 12 VAL CG1 C 13 21.935 0.40 . 2 . . . A 206 VAL CG1 . 25071 1
91 . 1 1 12 12 VAL CG2 C 13 21.879 0.40 . 2 . . . A 206 VAL CG2 . 25071 1
92 . 1 1 12 12 VAL N N 15 124.271 0.40 . 1 . . . A 206 VAL N . 25071 1
93 . 1 1 13 13 CYS H H 1 8.610 0.04 . 1 . . . A 207 CYS H . 25071 1
94 . 1 1 13 13 CYS HA H 1 4.927 0.04 . 1 . . . A 207 CYS HA . 25071 1
95 . 1 1 13 13 CYS HB2 H 1 2.603 0.04 . 2 . . . A 207 CYS HB2 . 25071 1
96 . 1 1 13 13 CYS HB3 H 1 3.244 0.04 . 2 . . . A 207 CYS HB3 . 25071 1
97 . 1 1 13 13 CYS C C 13 177.240 0.40 . 1 . . . A 207 CYS C . 25071 1
98 . 1 1 13 13 CYS CA C 13 58.935 0.40 . 1 . . . A 207 CYS CA . 25071 1
99 . 1 1 13 13 CYS CB C 13 32.423 0.40 . 1 . . . A 207 CYS CB . 25071 1
100 . 1 1 13 13 CYS N N 15 118.647 0.40 . 1 . . . A 207 CYS N . 25071 1
101 . 1 1 14 14 GLY H H 1 7.896 0.04 . 1 . . . A 208 GLY H . 25071 1
102 . 1 1 14 14 GLY HA2 H 1 3.806 0.04 . 2 . . . A 208 GLY HA2 . 25071 1
103 . 1 1 14 14 GLY HA3 H 1 4.118 0.04 . 2 . . . A 208 GLY HA3 . 25071 1
104 . 1 1 14 14 GLY C C 13 173.539 0.40 . 1 . . . A 208 GLY C . 25071 1
105 . 1 1 14 14 GLY CA C 13 46.283 0.40 . 1 . . . A 208 GLY CA . 25071 1
106 . 1 1 14 14 GLY N N 15 112.890 0.40 . 1 . . . A 208 GLY N . 25071 1
107 . 1 1 15 15 VAL H H 1 8.178 0.04 . 1 . . . A 209 VAL H . 25071 1
108 . 1 1 15 15 VAL HA H 1 3.956 0.04 . 1 . . . A 209 VAL HA . 25071 1
109 . 1 1 15 15 VAL HB H 1 2.057 0.04 . 1 . . . A 209 VAL HB . 25071 1
110 . 1 1 15 15 VAL HG11 H 1 0.902 0.04 . 2 . . . A 209 VAL HG11 . 25071 1
111 . 1 1 15 15 VAL HG12 H 1 0.902 0.04 . 2 . . . A 209 VAL HG12 . 25071 1
112 . 1 1 15 15 VAL HG13 H 1 0.902 0.04 . 2 . . . A 209 VAL HG13 . 25071 1
113 . 1 1 15 15 VAL HG21 H 1 0.785 0.04 . 2 . . . A 209 VAL HG21 . 25071 1
114 . 1 1 15 15 VAL HG22 H 1 0.785 0.04 . 2 . . . A 209 VAL HG22 . 25071 1
115 . 1 1 15 15 VAL HG23 H 1 0.785 0.04 . 2 . . . A 209 VAL HG23 . 25071 1
116 . 1 1 15 15 VAL C C 13 173.650 0.40 . 1 . . . A 209 VAL C . 25071 1
117 . 1 1 15 15 VAL CA C 13 63.229 0.40 . 1 . . . A 209 VAL CA . 25071 1
118 . 1 1 15 15 VAL CB C 13 32.168 0.40 . 1 . . . A 209 VAL CB . 25071 1
119 . 1 1 15 15 VAL CG1 C 13 22.190 0.40 . 2 . . . A 209 VAL CG1 . 25071 1
120 . 1 1 15 15 VAL CG2 C 13 21.229 0.40 . 2 . . . A 209 VAL CG2 . 25071 1
121 . 1 1 15 15 VAL N N 15 122.115 0.40 . 1 . . . A 209 VAL N . 25071 1
122 . 1 1 16 16 ASN H H 1 8.226 0.04 . 1 . . . A 210 ASN H . 25071 1
123 . 1 1 16 16 ASN HA H 1 5.123 0.04 . 1 . . . A 210 ASN HA . 25071 1
124 . 1 1 16 16 ASN HB2 H 1 2.510 0.04 . 2 . . . A 210 ASN HB2 . 25071 1
125 . 1 1 16 16 ASN HB3 H 1 2.731 0.04 . 2 . . . A 210 ASN HB3 . 25071 1
126 . 1 1 16 16 ASN HD21 H 1 7.716 0.04 . 2 . . . A 210 ASN HD21 . 25071 1
127 . 1 1 16 16 ASN HD22 H 1 6.476 0.04 . 2 . . . A 210 ASN HD22 . 25071 1
128 . 1 1 16 16 ASN C C 13 174.550 0.40 . 1 . . . A 210 ASN C . 25071 1
129 . 1 1 16 16 ASN CA C 13 53.921 0.40 . 1 . . . A 210 ASN CA . 25071 1
130 . 1 1 16 16 ASN CB C 13 40.688 0.40 . 1 . . . A 210 ASN CB . 25071 1
131 . 1 1 16 16 ASN N N 15 124.559 0.40 . 1 . . . A 210 ASN N . 25071 1
132 . 1 1 16 16 ASN ND2 N 15 110.685 0.40 . 1 . . . A 210 ASN ND2 . 25071 1
133 . 1 1 17 17 ILE H H 1 9.115 0.04 . 1 . . . A 211 ILE H . 25071 1
134 . 1 1 17 17 ILE HA H 1 4.691 0.04 . 1 . . . A 211 ILE HA . 25071 1
135 . 1 1 17 17 ILE HB H 1 1.738 0.04 . 1 . . . A 211 ILE HB . 25071 1
136 . 1 1 17 17 ILE HG12 H 1 1.003 0.04 . 2 . . . A 211 ILE HG12 . 25071 1
137 . 1 1 17 17 ILE HG13 H 1 1.003 0.04 . 2 . . . A 211 ILE HG13 . 25071 1
138 . 1 1 17 17 ILE HG21 H 1 0.778 0.04 . 1 . . . A 211 ILE HG21 . 25071 1
139 . 1 1 17 17 ILE HG22 H 1 0.778 0.04 . 1 . . . A 211 ILE HG22 . 25071 1
140 . 1 1 17 17 ILE HG23 H 1 0.778 0.04 . 1 . . . A 211 ILE HG23 . 25071 1
141 . 1 1 17 17 ILE HD11 H 1 0.336 0.04 . 1 . . . A 211 ILE HD11 . 25071 1
142 . 1 1 17 17 ILE HD12 H 1 0.336 0.04 . 1 . . . A 211 ILE HD12 . 25071 1
143 . 1 1 17 17 ILE HD13 H 1 0.336 0.04 . 1 . . . A 211 ILE HD13 . 25071 1
144 . 1 1 17 17 ILE CA C 13 57.498 0.40 . 1 . . . A 211 ILE CA . 25071 1
145 . 1 1 17 17 ILE CB C 13 41.177 0.40 . 1 . . . A 211 ILE CB . 25071 1
146 . 1 1 17 17 ILE CG1 C 13 25.680 0.40 . 1 . . . A 211 ILE CG1 . 25071 1
147 . 1 1 17 17 ILE CG2 C 13 17.404 0.40 . 1 . . . A 211 ILE CG2 . 25071 1
148 . 1 1 17 17 ILE CD1 C 13 12.402 0.40 . 1 . . . A 211 ILE CD1 . 25071 1
149 . 1 1 17 17 ILE N N 15 125.672 0.40 . 1 . . . A 211 ILE N . 25071 1
150 . 1 1 18 18 PRO HA H 1 4.489 0.04 . 1 . . . A 212 PRO HA . 25071 1
151 . 1 1 18 18 PRO HB2 H 1 2.262 0.04 . 2 . . . A 212 PRO HB2 . 25071 1
152 . 1 1 18 18 PRO HB3 H 1 1.679 0.04 . 2 . . . A 212 PRO HB3 . 25071 1
153 . 1 1 18 18 PRO HG2 H 1 1.882 0.04 . 2 . . . A 212 PRO HG2 . 25071 1
154 . 1 1 18 18 PRO HG3 H 1 1.746 0.04 . 2 . . . A 212 PRO HG3 . 25071 1
155 . 1 1 18 18 PRO HD2 H 1 3.795 0.04 . 2 . . . A 212 PRO HD2 . 25071 1
156 . 1 1 18 18 PRO HD3 H 1 3.452 0.04 . 2 . . . A 212 PRO HD3 . 25071 1
157 . 1 1 18 18 PRO C C 13 178.082 0.40 . 1 . . . A 212 PRO C . 25071 1
158 . 1 1 18 18 PRO CA C 13 63.423 0.40 . 1 . . . A 212 PRO CA . 25071 1
159 . 1 1 18 18 PRO CB C 13 32.011 0.40 . 1 . . . A 212 PRO CB . 25071 1
160 . 1 1 18 18 PRO CG C 13 28.344 0.40 . 1 . . . A 212 PRO CG . 25071 1
161 . 1 1 18 18 PRO CD C 13 50.879 0.40 . 1 . . . A 212 PRO CD . 25071 1
162 . 1 1 19 19 GLU H H 1 8.899 0.04 . 1 . . . A 213 GLU H . 25071 1
163 . 1 1 19 19 GLU HA H 1 3.858 0.04 . 1 . . . A 213 GLU HA . 25071 1
164 . 1 1 19 19 GLU HB2 H 1 2.003 0.04 . 2 . . . A 213 GLU HB2 . 25071 1
165 . 1 1 19 19 GLU HB3 H 1 1.921 0.04 . 2 . . . A 213 GLU HB3 . 25071 1
166 . 1 1 19 19 GLU HG2 H 1 2.286 0.04 . 2 . . . A 213 GLU HG2 . 25071 1
167 . 1 1 19 19 GLU HG3 H 1 2.221 0.04 . 2 . . . A 213 GLU HG3 . 25071 1
168 . 1 1 19 19 GLU C C 13 177.944 0.40 . 1 . . . A 213 GLU C . 25071 1
169 . 1 1 19 19 GLU CA C 13 59.664 0.40 . 1 . . . A 213 GLU CA . 25071 1
170 . 1 1 19 19 GLU CB C 13 29.551 0.40 . 1 . . . A 213 GLU CB . 25071 1
171 . 1 1 19 19 GLU CG C 13 36.081 0.40 . 1 . . . A 213 GLU CG . 25071 1
172 . 1 1 19 19 GLU N N 15 125.541 0.40 . 1 . . . A 213 GLU N . 25071 1
173 . 1 1 20 20 SER H H 1 8.251 0.04 . 1 . . . A 214 SER H . 25071 1
174 . 1 1 20 20 SER HA H 1 4.236 0.04 . 1 . . . A 214 SER HA . 25071 1
175 . 1 1 20 20 SER HB2 H 1 3.999 0.04 . 2 . . . A 214 SER HB2 . 25071 1
176 . 1 1 20 20 SER HB3 H 1 3.894 0.04 . 2 . . . A 214 SER HB3 . 25071 1
177 . 1 1 20 20 SER C C 13 175.495 0.40 . 1 . . . A 214 SER C . 25071 1
178 . 1 1 20 20 SER CA C 13 60.059 0.40 . 1 . . . A 214 SER CA . 25071 1
179 . 1 1 20 20 SER CB C 13 62.963 0.40 . 1 . . . A 214 SER CB . 25071 1
180 . 1 1 20 20 SER N N 15 111.930 0.40 . 1 . . . A 214 SER N . 25071 1
181 . 1 1 21 21 HIS H H 1 8.179 0.04 . 1 . . . A 215 HIS H . 25071 1
182 . 1 1 21 21 HIS HA H 1 4.957 0.04 . 1 . . . A 215 HIS HA . 25071 1
183 . 1 1 21 21 HIS HB2 H 1 3.374 0.04 . 2 . . . A 215 HIS HB2 . 25071 1
184 . 1 1 21 21 HIS HB3 H 1 2.956 0.04 . 2 . . . A 215 HIS HB3 . 25071 1
185 . 1 1 21 21 HIS CA C 13 55.625 0.40 . 1 . . . A 215 HIS CA . 25071 1
186 . 1 1 21 21 HIS CB C 13 32.479 0.40 . 1 . . . A 215 HIS CB . 25071 1
187 . 1 1 21 21 HIS N N 15 120.021 0.40 . 1 . . . A 215 HIS N . 25071 1
188 . 1 1 22 22 ILE H H 1 7.463 0.04 . 1 . . . A 216 ILE H . 25071 1
189 . 1 1 22 22 ILE HA H 1 4.038 0.04 . 1 . . . A 216 ILE HA . 25071 1
190 . 1 1 22 22 ILE HB H 1 1.768 0.04 . 1 . . . A 216 ILE HB . 25071 1
191 . 1 1 22 22 ILE HG12 H 1 1.433 0.04 . 2 . . . A 216 ILE HG12 . 25071 1
192 . 1 1 22 22 ILE HG13 H 1 1.460 0.04 . 2 . . . A 216 ILE HG13 . 25071 1
193 . 1 1 22 22 ILE HG21 H 1 1.101 0.04 . 1 . . . A 216 ILE HG21 . 25071 1
194 . 1 1 22 22 ILE HG22 H 1 1.101 0.04 . 1 . . . A 216 ILE HG22 . 25071 1
195 . 1 1 22 22 ILE HG23 H 1 1.101 0.04 . 1 . . . A 216 ILE HG23 . 25071 1
196 . 1 1 22 22 ILE HD11 H 1 0.915 0.04 . 1 . . . A 216 ILE HD11 . 25071 1
197 . 1 1 22 22 ILE HD12 H 1 0.915 0.04 . 1 . . . A 216 ILE HD12 . 25071 1
198 . 1 1 22 22 ILE HD13 H 1 0.915 0.04 . 1 . . . A 216 ILE HD13 . 25071 1
199 . 1 1 22 22 ILE C C 13 175.493 0.40 . 1 . . . A 216 ILE C . 25071 1
200 . 1 1 22 22 ILE CA C 13 63.186 0.40 . 1 . . . A 216 ILE CA . 25071 1
201 . 1 1 22 22 ILE CB C 13 38.092 0.40 . 1 . . . A 216 ILE CB . 25071 1
202 . 1 1 22 22 ILE CG1 C 13 29.005 0.40 . 1 . . . A 216 ILE CG1 . 25071 1
203 . 1 1 22 22 ILE CG2 C 13 17.865 0.40 . 1 . . . A 216 ILE CG2 . 25071 1
204 . 1 1 22 22 ILE CD1 C 13 13.402 0.40 . 1 . . . A 216 ILE CD1 . 25071 1
205 . 1 1 22 22 ILE N N 15 120.964 0.40 . 1 . . . A 216 ILE N . 25071 1
206 . 1 1 23 23 ASN H H 1 8.37 0.04 . 1 . . . A 217 ASN H . 25071 1
207 . 1 1 23 23 ASN HA H 1 4.452 0.04 . 1 . . . A 217 ASN HA . 25071 1
208 . 1 1 23 23 ASN HB2 H 1 2.777 0.04 . 2 . . . A 217 ASN HB2 . 25071 1
209 . 1 1 23 23 ASN HB3 H 1 2.802 0.04 . 2 . . . A 217 ASN HB3 . 25071 1
210 . 1 1 23 23 ASN HD21 H 1 7.614 0.04 . 2 . . . A 217 ASN HD21 . 25071 1
211 . 1 1 23 23 ASN HD22 H 1 6.945 0.04 . 2 . . . A 217 ASN HD22 . 25071 1
212 . 1 1 23 23 ASN C C 13 177.489 0.40 . 1 . . . A 217 ASN C . 25071 1
213 . 1 1 23 23 ASN CA C 13 57.149 0.40 . 1 . . . A 217 ASN CA . 25071 1
214 . 1 1 23 23 ASN CB C 13 37.372 0.40 . 1 . . . A 217 ASN CB . 25071 1
215 . 1 1 23 23 ASN N N 15 120.749 0.40 . 1 . . . A 217 ASN N . 25071 1
216 . 1 1 23 23 ASN ND2 N 15 111.745 0.40 . 1 . . . A 217 ASN ND2 . 25071 1
217 . 1 1 24 24 LYS H H 1 8.008 0.04 . 1 . . . A 218 LYS H . 25071 1
218 . 1 1 24 24 LYS HA H 1 4.166 0.04 . 1 . . . A 218 LYS HA . 25071 1
219 . 1 1 24 24 LYS HB2 H 1 1.798 0.04 . 2 . . . A 218 LYS HB2 . 25071 1
220 . 1 1 24 24 LYS HB3 H 1 1.798 0.04 . 2 . . . A 218 LYS HB3 . 25071 1
221 . 1 1 24 24 LYS HG2 H 1 1.474 0.04 . 2 . . . A 218 LYS HG2 . 25071 1
222 . 1 1 24 24 LYS HG3 H 1 1.474 0.04 . 2 . . . A 218 LYS HG3 . 25071 1
223 . 1 1 24 24 LYS HD2 H 1 1.682 0.04 . 2 . . . A 218 LYS HD2 . 25071 1
224 . 1 1 24 24 LYS HD3 H 1 1.682 0.04 . 2 . . . A 218 LYS HD3 . 25071 1
225 . 1 1 24 24 LYS HE2 H 1 2.970 0.04 . 2 . . . A 218 LYS HE2 . 25071 1
226 . 1 1 24 24 LYS HE3 H 1 2.970 0.04 . 2 . . . A 218 LYS HE3 . 25071 1
227 . 1 1 24 24 LYS C C 13 179.558 0.40 . 1 . . . A 218 LYS C . 25071 1
228 . 1 1 24 24 LYS CA C 13 58.158 0.40 . 1 . . . A 218 LYS CA . 25071 1
229 . 1 1 24 24 LYS CB C 13 31.971 0.40 . 1 . . . A 218 LYS CB . 25071 1
230 . 1 1 24 24 LYS CG C 13 24.891 0.40 . 1 . . . A 218 LYS CG . 25071 1
231 . 1 1 24 24 LYS CD C 13 28.806 0.40 . 1 . . . A 218 LYS CD . 25071 1
232 . 1 1 24 24 LYS CE C 13 42.082 0.40 . 1 . . . A 218 LYS CE . 25071 1
233 . 1 1 24 24 LYS N N 15 120.087 0.40 . 1 . . . A 218 LYS N . 25071 1
234 . 1 1 25 25 HIS H H 1 8.362 0.04 . 1 . . . A 219 HIS H . 25071 1
235 . 1 1 25 25 HIS HA H 1 4.183 0.04 . 1 . . . A 219 HIS HA . 25071 1
236 . 1 1 25 25 HIS HB2 H 1 3.361 0.04 . 2 . . . A 219 HIS HB2 . 25071 1
237 . 1 1 25 25 HIS HB3 H 1 3.164 0.04 . 2 . . . A 219 HIS HB3 . 25071 1
238 . 1 1 25 25 HIS CA C 13 60.072 0.40 . 1 . . . A 219 HIS CA . 25071 1
239 . 1 1 25 25 HIS CB C 13 28.594 0.40 . 1 . . . A 219 HIS CB . 25071 1
240 . 1 1 25 25 HIS N N 15 119.248 0.40 . 1 . . . A 219 HIS N . 25071 1
241 . 1 1 26 26 LEU H H 1 8.750 0.04 . 1 . . . A 220 LEU H . 25071 1
242 . 1 1 26 26 LEU HA H 1 3.920 0.04 . 1 . . . A 220 LEU HA . 25071 1
243 . 1 1 26 26 LEU HB2 H 1 1.963 0.04 . 2 . . . A 220 LEU HB2 . 25071 1
244 . 1 1 26 26 LEU HB3 H 1 1.589 0.04 . 2 . . . A 220 LEU HB3 . 25071 1
245 . 1 1 26 26 LEU HG H 1 1.951 0.04 . 1 . . . A 220 LEU HG . 25071 1
246 . 1 1 26 26 LEU HD11 H 1 1.068 0.04 . 2 . . . A 220 LEU HD11 . 25071 1
247 . 1 1 26 26 LEU HD12 H 1 1.068 0.04 . 2 . . . A 220 LEU HD12 . 25071 1
248 . 1 1 26 26 LEU HD13 H 1 1.068 0.04 . 2 . . . A 220 LEU HD13 . 25071 1
249 . 1 1 26 26 LEU HD21 H 1 0.992 0.04 . 2 . . . A 220 LEU HD21 . 25071 1
250 . 1 1 26 26 LEU HD22 H 1 0.992 0.04 . 2 . . . A 220 LEU HD22 . 25071 1
251 . 1 1 26 26 LEU HD23 H 1 0.992 0.04 . 2 . . . A 220 LEU HD23 . 25071 1
252 . 1 1 26 26 LEU C C 13 178.131 0.40 . 1 . . . A 220 LEU C . 25071 1
253 . 1 1 26 26 LEU CA C 13 58.146 0.40 . 1 . . . A 220 LEU CA . 25071 1
254 . 1 1 26 26 LEU CB C 13 41.992 0.40 . 1 . . . A 220 LEU CB . 25071 1
255 . 1 1 26 26 LEU CG C 13 27.480 0.40 . 1 . . . A 220 LEU CG . 25071 1
256 . 1 1 26 26 LEU CD1 C 13 24.523 0.40 . 2 . . . A 220 LEU CD1 . 25071 1
257 . 1 1 26 26 LEU CD2 C 13 25.708 0.40 . 2 . . . A 220 LEU CD2 . 25071 1
258 . 1 1 26 26 LEU N N 15 119.954 0.40 . 1 . . . A 220 LEU N . 25071 1
259 . 1 1 27 27 ASP H H 1 7.502 0.04 . 1 . . . A 221 ASP H . 25071 1
260 . 1 1 27 27 ASP HA H 1 4.372 0.04 . 1 . . . A 221 ASP HA . 25071 1
261 . 1 1 27 27 ASP HB2 H 1 2.793 0.04 . 2 . . . A 221 ASP HB2 . 25071 1
262 . 1 1 27 27 ASP HB3 H 1 2.643 0.04 . 2 . . . A 221 ASP HB3 . 25071 1
263 . 1 1 27 27 ASP C C 13 178.050 0.40 . 1 . . . A 221 ASP C . 25071 1
264 . 1 1 27 27 ASP CA C 13 57.272 0.40 . 1 . . . A 221 ASP CA . 25071 1
265 . 1 1 27 27 ASP CB C 13 40.746 0.40 . 1 . . . A 221 ASP CB . 25071 1
266 . 1 1 27 27 ASP N N 15 117.139 0.40 . 1 . . . A 221 ASP N . 25071 1
267 . 1 1 28 28 SER H H 1 7.219 0.04 . 1 . . . A 222 SER H . 25071 1
268 . 1 1 28 28 SER HA H 1 4.483 0.04 . 1 . . . A 222 SER HA . 25071 1
269 . 1 1 28 28 SER HB2 H 1 3.853 0.04 . 2 . . . A 222 SER HB2 . 25071 1
270 . 1 1 28 28 SER HB3 H 1 3.853 0.04 . 2 . . . A 222 SER HB3 . 25071 1
271 . 1 1 28 28 SER C C 13 174.763 0.40 . 1 . . . A 222 SER C . 25071 1
272 . 1 1 28 28 SER CA C 13 59.270 0.40 . 1 . . . A 222 SER CA . 25071 1
273 . 1 1 28 28 SER CB C 13 63.929 0.40 . 1 . . . A 222 SER CB . 25071 1
274 . 1 1 28 28 SER N N 15 111.282 0.40 . 1 . . . A 222 SER N . 25071 1
275 . 1 1 29 29 CYS H H 1 8.057 0.04 . 1 . . . A 223 CYS H . 25071 1
276 . 1 1 29 29 CYS HA H 1 3.910 0.04 . 1 . . . A 223 CYS HA . 25071 1
277 . 1 1 29 29 CYS HB2 H 1 2.088 0.04 . 2 . . . A 223 CYS HB2 . 25071 1
278 . 1 1 29 29 CYS HB3 H 1 2.617 0.04 . 2 . . . A 223 CYS HB3 . 25071 1
279 . 1 1 29 29 CYS C C 13 176.495 0.40 . 1 . . . A 223 CYS C . 25071 1
280 . 1 1 29 29 CYS CA C 13 63.382 0.40 . 1 . . . A 223 CYS CA . 25071 1
281 . 1 1 29 29 CYS CB C 13 29.297 0.40 . 1 . . . A 223 CYS CB . 25071 1
282 . 1 1 29 29 CYS N N 15 126.819 0.40 . 1 . . . A 223 CYS N . 25071 1
283 . 1 1 30 30 LEU H H 1 8.198 0.04 . 1 . . . A 224 LEU H . 25071 1
284 . 1 1 30 30 LEU HA H 1 4.286 0.04 . 1 . . . A 224 LEU HA . 25071 1
285 . 1 1 30 30 LEU HB2 H 1 1.700 0.04 . 2 . . . A 224 LEU HB2 . 25071 1
286 . 1 1 30 30 LEU HB3 H 1 1.579 0.04 . 2 . . . A 224 LEU HB3 . 25071 1
287 . 1 1 30 30 LEU CA C 13 55.844 0.40 . 1 . . . A 224 LEU CA . 25071 1
288 . 1 1 30 30 LEU CB C 13 42.553 0.40 . 1 . . . A 224 LEU CB . 25071 1
289 . 1 1 30 30 LEU N N 15 119.262 0.40 . 1 . . . A 224 LEU N . 25071 1
290 . 1 1 31 31 SER H H 1 7.810 0.04 . 1 . . . A 225 SER H . 25071 1
291 . 1 1 31 31 SER HA H 1 4.365 0.04 . 1 . . . A 225 SER HA . 25071 1
292 . 1 1 31 31 SER HB2 H 1 3.912 0.04 . 2 . . . A 225 SER HB2 . 25071 1
293 . 1 1 31 31 SER HB3 H 1 3.918 0.04 . 2 . . . A 225 SER HB3 . 25071 1
294 . 1 1 31 31 SER C C 13 174.988 0.40 . 1 . . . A 225 SER C . 25071 1
295 . 1 1 31 31 SER CA C 13 58.958 0.40 . 1 . . . A 225 SER CA . 25071 1
296 . 1 1 31 31 SER CB C 13 63.502 0.40 . 1 . . . A 225 SER CB . 25071 1
297 . 1 1 31 31 SER N N 15 114.923 0.40 . 1 . . . A 225 SER N . 25071 1
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