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 15375
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H NOESY' . . . 15375 1
2 '2D 1H-1H TOCSY' . . . 15375 1
3 '2D 1H-15N HSQC' . . . 15375 1
4 '3D 1H-15N NOESY' . . . 15375 1
5 '3D 1H-15N TOCSY' . . . 15375 1
6 '2D NOESY fast recycle' . . . 15375 1
7 '1D NOE difference' . . . 15375 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
2 $SPARKY . . 15375 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 2 2 LYS HA H 1 4.493 0.002 . 1 . . . . 2 LYS HA . 15375 1
2 . 1 1 2 2 LYS HB2 H 1 2.045 0.005 . 2 . . . . 2 LYS HB2 . 15375 1
3 . 1 1 2 2 LYS HB3 H 1 1.975 0.000 . 2 . . . . 2 LYS HB3 . 15375 1
4 . 1 1 2 2 LYS HD2 H 1 1.853 0.007 . 2 . . . . 2 LYS HD2 . 15375 1
5 . 1 1 2 2 LYS HD3 H 1 1.853 0.007 . 2 . . . . 2 LYS HD3 . 15375 1
6 . 1 1 2 2 LYS HE2 H 1 3.108 0.000 . 2 . . . . 2 LYS HE2 . 15375 1
7 . 1 1 2 2 LYS HE3 H 1 3.108 0.000 . 2 . . . . 2 LYS HE3 . 15375 1
8 . 1 1 2 2 LYS HG2 H 1 1.706 0.007 . 2 . . . . 2 LYS HG2 . 15375 1
9 . 1 1 2 2 LYS HG3 H 1 1.596 0.007 . 2 . . . . 2 LYS HG3 . 15375 1
10 . 1 1 3 3 LYS H H 1 8.546 0.004 . 1 . . . . 3 LYS HN . 15375 1
11 . 1 1 3 3 LYS HA H 1 5.217 0.002 . 1 . . . . 3 LYS HA . 15375 1
12 . 1 1 3 3 LYS HB2 H 1 1.902 0.008 . 2 . . . . 3 LYS HB2 . 15375 1
13 . 1 1 3 3 LYS HB3 H 1 1.902 0.008 . 2 . . . . 3 LYS HB3 . 15375 1
14 . 1 1 3 3 LYS HD2 H 1 1.622 0.006 . 2 . . . . 3 LYS HD2 . 15375 1
15 . 1 1 3 3 LYS HD3 H 1 1.543 0.004 . 2 . . . . 3 LYS HD3 . 15375 1
16 . 1 1 3 3 LYS HG2 H 1 1.751 0.006 . 2 . . . . 3 LYS HG2 . 15375 1
17 . 1 1 3 3 LYS HG3 H 1 1.751 0.006 . 2 . . . . 3 LYS HG3 . 15375 1
18 . 1 1 4 4 TYR H H 1 9.122 0.002 . 1 . . . . 4 TYR HN . 15375 1
19 . 1 1 4 4 TYR HA H 1 5.717 0.003 . 1 . . . . 4 TYR HA . 15375 1
20 . 1 1 4 4 TYR HB2 H 1 3.500 0.005 . 2 . . . . 4 TYR HB2 . 15375 1
21 . 1 1 4 4 TYR HB3 H 1 3.672 0.004 . 2 . . . . 4 TYR HB3 . 15375 1
22 . 1 1 4 4 TYR HD1 H 1 7.061 0.003 . 1 . . . . 4 TYR HD1 . 15375 1
23 . 1 1 4 4 TYR HD2 H 1 7.061 0.003 . 1 . . . . 4 TYR HD2 . 15375 1
24 . 1 1 4 4 TYR HE1 H 1 6.904 0.003 . 1 . . . . 4 TYR HE1 . 15375 1
25 . 1 1 4 4 TYR HE2 H 1 6.904 0.003 . 1 . . . . 4 TYR HE2 . 15375 1
26 . 1 1 5 5 VAL H H 1 10.621 0.002 . 1 . . . . 5 VAL HN . 15375 1
27 . 1 1 5 5 VAL HA H 1 7.121 0.003 . 1 . . . . 5 VAL HA . 15375 1
28 . 1 1 5 5 VAL HB H 1 3.016 0.002 . 1 . . . . 5 VAL HB . 15375 1
29 . 1 1 5 5 VAL HG11 H 1 1.785 0.004 . 2 . . . . 5 VAL QG1 . 15375 1
30 . 1 1 5 5 VAL HG12 H 1 1.785 0.004 . 2 . . . . 5 VAL QG1 . 15375 1
31 . 1 1 5 5 VAL HG13 H 1 1.785 0.004 . 2 . . . . 5 VAL QG1 . 15375 1
32 . 1 1 5 5 VAL HG21 H 1 1.956 0.003 . 2 . . . . 5 VAL QG2 . 15375 1
33 . 1 1 5 5 VAL HG22 H 1 1.956 0.003 . 2 . . . . 5 VAL QG2 . 15375 1
34 . 1 1 5 5 VAL HG23 H 1 1.956 0.003 . 2 . . . . 5 VAL QG2 . 15375 1
35 . 1 1 6 6 CYS H H 1 11.340 0.001 . 1 . . . . 6 CYS HN . 15375 1
36 . 1 1 6 6 CYS HA H 1 -9.858 0.001 . 1 . . . . 6 CYS HA . 15375 1
37 . 1 1 6 6 CYS HB2 H 1 199.610 0.001 . 2 . . . . 6 CYS HB2 . 15375 1
38 . 1 1 6 6 CYS HB3 H 1 162.630 0.001 . 2 . . . . 6 CYS HB3 . 15375 1
39 . 1 1 7 7 THR H H 1 7.018 0.003 . 1 . . . . 7 THR HN . 15375 1
40 . 1 1 7 7 THR HA H 1 5.519 0.002 . 1 . . . . 7 THR HA . 15375 1
41 . 1 1 7 7 THR HB H 1 3.339 0.002 . 1 . . . . 7 THR HB . 15375 1
42 . 1 1 7 7 THR HG21 H 1 1.103 0.002 . 1 . . . . 7 THR QG2 . 15375 1
43 . 1 1 7 7 THR HG22 H 1 1.103 0.002 . 1 . . . . 7 THR QG2 . 15375 1
44 . 1 1 7 7 THR HG23 H 1 1.103 0.002 . 1 . . . . 7 THR QG2 . 15375 1
45 . 1 1 8 8 VAL H H 1 14.710 0.002 . 1 . . . . 8 VAL HN . 15375 1
46 . 1 1 8 8 VAL HA H 1 4.991 0.002 . 1 . . . . 8 VAL HA . 15375 1
47 . 1 1 8 8 VAL HB H 1 -27.480 0.002 . 1 . . . . 8 VAL HB . 15375 1
48 . 1 1 8 8 VAL HG11 H 1 -8.398 0.003 . 2 . . . . 8 VAL QG1 . 15375 1
49 . 1 1 8 8 VAL HG12 H 1 -8.398 0.003 . 2 . . . . 8 VAL QG1 . 15375 1
50 . 1 1 8 8 VAL HG13 H 1 -8.398 0.003 . 2 . . . . 8 VAL QG1 . 15375 1
51 . 1 1 8 8 VAL HG21 H 1 -2.300 0.003 . 2 . . . . 8 VAL QG2 . 15375 1
52 . 1 1 8 8 VAL HG22 H 1 -2.300 0.003 . 2 . . . . 8 VAL QG2 . 15375 1
53 . 1 1 8 8 VAL HG23 H 1 -2.300 0.003 . 2 . . . . 8 VAL QG2 . 15375 1
54 . 1 1 9 9 CYS HA H 1 8.785 0.001 . 1 . . . . 9 CYS HA . 15375 1
55 . 1 1 9 9 CYS HB2 H 1 363.580 0.003 . 2 . . . . 9 CYS HB2 . 15375 1
56 . 1 1 9 9 CYS HB3 H 1 363.580 0.003 . 2 . . . . 9 CYS HB3 . 15375 1
57 . 1 1 11 11 TYR HA H 1 0.442 0.000 . 1 . . . . 11 TYR HA . 15375 1
58 . 1 1 11 11 TYR HB2 H 1 -21.230 0.002 . 2 . . . . 11 TYR HB2 . 15375 1
59 . 1 1 11 11 TYR HB3 H 1 -21.230 0.002 . 2 . . . . 11 TYR HB3 . 15375 1
60 . 1 1 11 11 TYR HD1 H 1 0.190 0.010 . 1 . . . . 11 TYR HD1 . 15375 1
61 . 1 1 12 12 GLU H H 1 5.706 0.002 . 1 . . . . 12 GLU HN . 15375 1
62 . 1 1 12 12 GLU HA H 1 5.355 0.005 . 1 . . . . 12 GLU HA . 15375 1
63 . 1 1 12 12 GLU HB2 H 1 1.427 0.005 . 2 . . . . 12 GLU HB2 . 15375 1
64 . 1 1 12 12 GLU HB3 H 1 1.427 0.005 . 2 . . . . 12 GLU HB3 . 15375 1
65 . 1 1 12 12 GLU HG2 H 1 1.870 0.005 . 2 . . . . 12 GLU HG2 . 15375 1
66 . 1 1 12 12 GLU HG3 H 1 2.171 0.003 . 2 . . . . 12 GLU HG3 . 15375 1
67 . 1 1 13 13 TYR H H 1 10.338 0.002 . 1 . . . . 13 TYR HN . 15375 1
68 . 1 1 13 13 TYR HA H 1 4.486 0.000 . 1 . . . . 13 TYR HA . 15375 1
69 . 1 1 13 13 TYR HB2 H 1 4.381 0.005 . 2 . . . . 13 TYR HB2 . 15375 1
70 . 1 1 13 13 TYR HB3 H 1 4.033 0.006 . 2 . . . . 13 TYR HB3 . 15375 1
71 . 1 1 13 13 TYR HD1 H 1 7.643 0.007 . 1 . . . . 13 TYR HD1 . 15375 1
72 . 1 1 13 13 TYR HD2 H 1 7.643 0.007 . 1 . . . . 13 TYR HD2 . 15375 1
73 . 1 1 13 13 TYR HE1 H 1 6.626 0.005 . 1 . . . . 13 TYR HE1 . 15375 1
74 . 1 1 13 13 TYR HE2 H 1 6.626 0.005 . 1 . . . . 13 TYR HE2 . 15375 1
75 . 1 1 13 13 TYR HH H 1 9.005 0.001 . 1 . . . . 13 TYR HH . 15375 1
76 . 1 1 14 14 ASP H H 1 8.284 0.002 . 1 . . . . 14 ASP HN . 15375 1
77 . 1 1 14 14 ASP HA H 1 5.089 0.003 . 1 . . . . 14 ASP HA . 15375 1
78 . 1 1 14 14 ASP HB2 H 1 2.174 0.003 . 2 . . . . 14 ASP HB2 . 15375 1
79 . 1 1 14 14 ASP HB3 H 1 2.641 0.002 . 2 . . . . 14 ASP HB3 . 15375 1
80 . 1 1 15 15 PRO HA H 1 4.148 0.002 . 1 . . . . 15 PRO HA . 15375 1
81 . 1 1 15 15 PRO HB2 H 1 2.322 0.002 . 2 . . . . 15 PRO HB2 . 15375 1
82 . 1 1 15 15 PRO HB3 H 1 2.525 0.008 . 2 . . . . 15 PRO HB3 . 15375 1
83 . 1 1 15 15 PRO HD2 H 1 3.962 0.003 . 2 . . . . 15 PRO HD2 . 15375 1
84 . 1 1 15 15 PRO HD3 H 1 4.250 0.006 . 2 . . . . 15 PRO HD3 . 15375 1
85 . 1 1 15 15 PRO HG2 H 1 2.192 0.001 . 2 . . . . 15 PRO HG2 . 15375 1
86 . 1 1 15 15 PRO HG3 H 1 1.943 0.005 . 2 . . . . 15 PRO HG3 . 15375 1
87 . 1 1 16 16 ALA H H 1 7.905 0.002 . 1 . . . . 16 ALA HN . 15375 1
88 . 1 1 16 16 ALA HA H 1 3.911 0.004 . 1 . . . . 16 ALA HA . 15375 1
89 . 1 1 16 16 ALA HB1 H 1 1.333 0.001 . 1 . . . . 16 ALA QB . 15375 1
90 . 1 1 16 16 ALA HB2 H 1 1.333 0.001 . 1 . . . . 16 ALA QB . 15375 1
91 . 1 1 16 16 ALA HB3 H 1 1.333 0.001 . 1 . . . . 16 ALA QB . 15375 1
92 . 1 1 17 17 GLU H H 1 7.312 0.001 . 1 . . . . 17 GLU HN . 15375 1
93 . 1 1 17 17 GLU HA H 1 4.212 0.005 . 1 . . . . 17 GLU HA . 15375 1
94 . 1 1 17 17 GLU HB2 H 1 1.894 0.004 . 2 . . . . 17 GLU HB2 . 15375 1
95 . 1 1 17 17 GLU HB3 H 1 2.117 0.011 . 2 . . . . 17 GLU HB3 . 15375 1
96 . 1 1 17 17 GLU HG2 H 1 1.719 0.007 . 2 . . . . 17 GLU HG2 . 15375 1
97 . 1 1 17 17 GLU HG3 H 1 1.719 0.007 . 2 . . . . 17 GLU HG3 . 15375 1
98 . 1 1 18 18 GLY H H 1 8.024 0.004 . 1 . . . . 18 GLY HN . 15375 1
99 . 1 1 18 18 GLY HA2 H 1 4.030 0.009 . 2 . . . . 18 GLY HA1 . 15375 1
100 . 1 1 18 18 GLY HA3 H 1 3.487 0.002 . 2 . . . . 18 GLY HA2 . 15375 1
101 . 1 1 19 19 ASP H H 1 8.115 0.001 . 1 . . . . 19 ASP HN . 15375 1
102 . 1 1 19 19 ASP HA H 1 4.919 0.003 . 1 . . . . 19 ASP HA . 15375 1
103 . 1 1 19 19 ASP HB2 H 1 3.018 0.003 . 2 . . . . 19 ASP HB2 . 15375 1
104 . 1 1 19 19 ASP HB3 H 1 2.934 0.005 . 2 . . . . 19 ASP HB3 . 15375 1
105 . 1 1 20 20 PRO HA H 1 4.083 0.003 . 1 . . . . 20 PRO HA . 15375 1
106 . 1 1 20 20 PRO HB2 H 1 1.960 0.008 . 2 . . . . 20 PRO HB2 . 15375 1
107 . 1 1 20 20 PRO HB3 H 1 2.206 0.002 . 2 . . . . 20 PRO HB3 . 15375 1
108 . 1 1 20 20 PRO HD2 H 1 3.726 0.002 . 2 . . . . 20 PRO HD2 . 15375 1
109 . 1 1 20 20 PRO HD3 H 1 3.726 0.002 . 2 . . . . 20 PRO HD3 . 15375 1
110 . 1 1 21 21 ASP H H 1 9.160 0.002 . 1 . . . . 21 ASP HN . 15375 1
111 . 1 1 21 21 ASP HA H 1 4.324 0.009 . 1 . . . . 21 ASP HA . 15375 1
112 . 1 1 21 21 ASP HB2 H 1 2.368 0.004 . 2 . . . . 21 ASP HB2 . 15375 1
113 . 1 1 21 21 ASP HB3 H 1 2.478 0.006 . 2 . . . . 21 ASP HB3 . 15375 1
114 . 1 1 22 22 ASN H H 1 7.583 0.003 . 1 . . . . 22 ASN HN . 15375 1
115 . 1 1 22 22 ASN HA H 1 5.105 0.003 . 1 . . . . 22 ASN HA . 15375 1
116 . 1 1 22 22 ASN HB2 H 1 2.904 0.005 . 2 . . . . 22 ASN HB2 . 15375 1
117 . 1 1 22 22 ASN HB3 H 1 3.110 0.003 . 2 . . . . 22 ASN HB3 . 15375 1
118 . 1 1 22 22 ASN HD21 H 1 9.152 0.001 . 2 . . . . 22 ASN HD21 . 15375 1
119 . 1 1 22 22 ASN HD22 H 1 6.823 0.002 . 2 . . . . 22 ASN HD22 . 15375 1
120 . 1 1 23 23 GLY H H 1 7.680 0.004 . 1 . . . . 23 GLY HN . 15375 1
121 . 1 1 23 23 GLY HA2 H 1 4.229 0.003 . 2 . . . . 23 GLY HA1 . 15375 1
122 . 1 1 23 23 GLY HA3 H 1 3.809 0.002 . 2 . . . . 23 GLY HA2 . 15375 1
123 . 1 1 24 24 VAL H H 1 7.590 0.010 . 1 . . . . 24 VAL HN . 15375 1
124 . 1 1 24 24 VAL HA H 1 4.278 0.003 . 1 . . . . 24 VAL HA . 15375 1
125 . 1 1 24 24 VAL HB H 1 2.053 0.003 . 1 . . . . 24 VAL HB . 15375 1
126 . 1 1 24 24 VAL HG11 H 1 1.025 0.005 . 2 . . . . 24 VAL QG1 . 15375 1
127 . 1 1 24 24 VAL HG12 H 1 1.025 0.005 . 2 . . . . 24 VAL QG1 . 15375 1
128 . 1 1 24 24 VAL HG13 H 1 1.025 0.005 . 2 . . . . 24 VAL QG1 . 15375 1
129 . 1 1 24 24 VAL HG21 H 1 1.094 0.004 . 2 . . . . 24 VAL QG2 . 15375 1
130 . 1 1 24 24 VAL HG22 H 1 1.094 0.004 . 2 . . . . 24 VAL QG2 . 15375 1
131 . 1 1 24 24 VAL HG23 H 1 1.094 0.004 . 2 . . . . 24 VAL QG2 . 15375 1
132 . 1 1 25 25 LYS H H 1 8.634 0.001 . 1 . . . . 25 LYS HN . 15375 1
133 . 1 1 25 25 LYS HA H 1 4.413 0.002 . 1 . . . . 25 LYS HA . 15375 1
134 . 1 1 25 25 LYS HB2 H 1 1.784 0.004 . 2 . . . . 25 LYS HB2 . 15375 1
135 . 1 1 25 25 LYS HB3 H 1 1.784 0.004 . 2 . . . . 25 LYS HB3 . 15375 1
136 . 1 1 25 25 LYS HD2 H 1 1.502 0.010 . 2 . . . . 25 LYS HD2 . 15375 1
137 . 1 1 25 25 LYS HD3 H 1 1.502 0.010 . 2 . . . . 25 LYS HD3 . 15375 1
138 . 1 1 25 25 LYS HE2 H 1 3.018 0.004 . 2 . . . . 25 LYS HE2 . 15375 1
139 . 1 1 25 25 LYS HE3 H 1 3.018 0.004 . 2 . . . . 25 LYS HE3 . 15375 1
140 . 1 1 25 25 LYS HG2 H 1 1.669 0.001 . 2 . . . . 25 LYS HG2 . 15375 1
141 . 1 1 25 25 LYS HG3 H 1 1.669 0.001 . 2 . . . . 25 LYS HG3 . 15375 1
142 . 1 1 26 26 PRO HA H 1 3.671 0.001 . 1 . . . . 26 PRO HA . 15375 1
143 . 1 1 26 26 PRO HB2 H 1 1.701 0.006 . 2 . . . . 26 PRO HB2 . 15375 1
144 . 1 1 26 26 PRO HB3 H 1 2.355 0.003 . 2 . . . . 26 PRO HB3 . 15375 1
145 . 1 1 26 26 PRO HD2 H 1 3.771 0.003 . 2 . . . . 26 PRO HD2 . 15375 1
146 . 1 1 26 26 PRO HD3 H 1 3.579 0.002 . 2 . . . . 26 PRO HD3 . 15375 1
147 . 1 1 26 26 PRO HG2 H 1 2.029 0.002 . 2 . . . . 26 PRO HG2 . 15375 1
148 . 1 1 26 26 PRO HG3 H 1 1.921 0.000 . 2 . . . . 26 PRO HG3 . 15375 1
149 . 1 1 27 27 GLY H H 1 8.747 0.000 . 1 . . . . 27 GLY HN . 15375 1
150 . 1 1 27 27 GLY HA2 H 1 4.213 0.004 . 2 . . . . 27 GLY HA1 . 15375 1
151 . 1 1 27 27 GLY HA3 H 1 3.468 0.005 . 2 . . . . 27 GLY HA2 . 15375 1
152 . 1 1 28 28 THR H H 1 7.221 0.002 . 1 . . . . 28 THR HN . 15375 1
153 . 1 1 28 28 THR HA H 1 4.324 0.008 . 1 . . . . 28 THR HA . 15375 1
154 . 1 1 28 28 THR HB H 1 3.939 0.001 . 1 . . . . 28 THR HB . 15375 1
155 . 1 1 28 28 THR HG1 H 1 6.598 0.007 . 1 . . . . 28 THR HG1 . 15375 1
156 . 1 1 28 28 THR HG21 H 1 1.262 0.002 . 1 . . . . 28 THR QG2 . 15375 1
157 . 1 1 28 28 THR HG22 H 1 1.262 0.002 . 1 . . . . 28 THR QG2 . 15375 1
158 . 1 1 28 28 THR HG23 H 1 1.262 0.002 . 1 . . . . 28 THR QG2 . 15375 1
159 . 1 1 29 29 SER H H 1 9.731 0.001 . 1 . . . . 29 SER HN . 15375 1
160 . 1 1 29 29 SER HA H 1 4.338 0.007 . 1 . . . . 29 SER HA . 15375 1
161 . 1 1 29 29 SER HB2 H 1 4.505 0.001 . 2 . . . . 29 SER HB2 . 15375 1
162 . 1 1 29 29 SER HB3 H 1 4.141 0.004 . 2 . . . . 29 SER HB3 . 15375 1
163 . 1 1 30 30 PHE H H 1 9.874 0.001 . 1 . . . . 30 PHE HN . 15375 1
164 . 1 1 30 30 PHE HA H 1 3.808 0.002 . 1 . . . . 30 PHE HA . 15375 1
165 . 1 1 30 30 PHE HB2 H 1 3.191 0.002 . 2 . . . . 30 PHE HB2 . 15375 1
166 . 1 1 30 30 PHE HB3 H 1 2.755 0.006 . 2 . . . . 30 PHE HB3 . 15375 1
167 . 1 1 30 30 PHE HD1 H 1 6.828 0.002 . 1 . . . . 30 PHE HD1 . 15375 1
168 . 1 1 30 30 PHE HD2 H 1 6.828 0.002 . 1 . . . . 30 PHE HD2 . 15375 1
169 . 1 1 30 30 PHE HE1 H 1 7.532 0.001 . 1 . . . . 30 PHE HE1 . 15375 1
170 . 1 1 30 30 PHE HE2 H 1 7.532 0.001 . 1 . . . . 30 PHE HE2 . 15375 1
171 . 1 1 30 30 PHE HZ H 1 8.057 0.007 . 1 . . . . 30 PHE HZ . 15375 1
172 . 1 1 31 31 ASP H H 1 8.235 0.002 . 1 . . . . 31 ASP HN . 15375 1
173 . 1 1 31 31 ASP HA H 1 4.307 0.004 . 1 . . . . 31 ASP HA . 15375 1
174 . 1 1 31 31 ASP HB2 H 1 2.783 0.003 . 2 . . . . 31 ASP HB2 . 15375 1
175 . 1 1 31 31 ASP HB3 H 1 2.538 0.002 . 2 . . . . 31 ASP HB3 . 15375 1
176 . 1 1 32 32 ASP H H 1 7.583 0.002 . 1 . . . . 32 ASP HN . 15375 1
177 . 1 1 32 32 ASP HA H 1 4.710 0.003 . 1 . . . . 32 ASP HA . 15375 1
178 . 1 1 32 32 ASP HB2 H 1 2.889 0.007 . 2 . . . . 32 ASP HB2 . 15375 1
179 . 1 1 32 32 ASP HB3 H 1 2.626 0.005 . 2 . . . . 32 ASP HB3 . 15375 1
180 . 1 1 33 33 LEU H H 1 7.185 0.001 . 1 . . . . 33 LEU HN . 15375 1
181 . 1 1 33 33 LEU HA H 1 4.118 0.002 . 1 . . . . 33 LEU HA . 15375 1
182 . 1 1 33 33 LEU HB2 H 1 1.117 0.008 . 2 . . . . 33 LEU HB2 . 15375 1
183 . 1 1 33 33 LEU HB3 H 1 0.842 0.005 . 2 . . . . 33 LEU HB3 . 15375 1
184 . 1 1 33 33 LEU HD11 H 1 -0.848 0.004 . 2 . . . . 33 LEU QD1 . 15375 1
185 . 1 1 33 33 LEU HD12 H 1 -0.848 0.004 . 2 . . . . 33 LEU QD1 . 15375 1
186 . 1 1 33 33 LEU HD13 H 1 -0.848 0.004 . 2 . . . . 33 LEU QD1 . 15375 1
187 . 1 1 33 33 LEU HD21 H 1 0.102 0.002 . 2 . . . . 33 LEU QD2 . 15375 1
188 . 1 1 33 33 LEU HD22 H 1 0.102 0.002 . 2 . . . . 33 LEU QD2 . 15375 1
189 . 1 1 33 33 LEU HD23 H 1 0.102 0.002 . 2 . . . . 33 LEU QD2 . 15375 1
190 . 1 1 33 33 LEU HG H 1 1.263 0.002 . 1 . . . . 33 LEU HG . 15375 1
191 . 1 1 34 34 PRO HA H 1 4.524 0.007 . 1 . . . . 34 PRO HA . 15375 1
192 . 1 1 34 34 PRO HB2 H 1 2.326 0.004 . 2 . . . . 34 PRO HB2 . 15375 1
193 . 1 1 34 34 PRO HB3 H 1 2.481 0.006 . 2 . . . . 34 PRO HB3 . 15375 1
194 . 1 1 34 34 PRO HD2 H 1 4.029 0.001 . 2 . . . . 34 PRO HD2 . 15375 1
195 . 1 1 34 34 PRO HD3 H 1 3.554 0.005 . 2 . . . . 34 PRO HD3 . 15375 1
196 . 1 1 34 34 PRO HG2 H 1 2.654 0.008 . 2 . . . . 34 PRO HG2 . 15375 1
197 . 1 1 34 34 PRO HG3 H 1 2.654 0.008 . 2 . . . . 34 PRO HG3 . 15375 1
198 . 1 1 35 35 ALA H H 1 7.909 0.003 . 1 . . . . 35 ALA HN . 15375 1
199 . 1 1 35 35 ALA HA H 1 4.213 0.002 . 1 . . . . 35 ALA HA . 15375 1
200 . 1 1 35 35 ALA HB1 H 1 1.570 0.000 . 1 . . . . 35 ALA QB . 15375 1
201 . 1 1 35 35 ALA HB2 H 1 1.570 0.000 . 1 . . . . 35 ALA QB . 15375 1
202 . 1 1 35 35 ALA HB3 H 1 1.570 0.000 . 1 . . . . 35 ALA QB . 15375 1
203 . 1 1 36 36 ASP H H 1 8.497 0.001 . 1 . . . . 36 ASP HN . 15375 1
204 . 1 1 36 36 ASP HA H 1 4.858 0.003 . 1 . . . . 36 ASP HA . 15375 1
205 . 1 1 36 36 ASP HB2 H 1 2.783 0.000 . 2 . . . . 36 ASP HB2 . 15375 1
206 . 1 1 36 36 ASP HB3 H 1 3.087 0.003 . 2 . . . . 36 ASP HB3 . 15375 1
207 . 1 1 37 37 TRP H H 1 8.165 0.002 . 1 . . . . 37 TRP HN . 15375 1
208 . 1 1 37 37 TRP HA H 1 4.817 0.003 . 1 . . . . 37 TRP HA . 15375 1
209 . 1 1 37 37 TRP HB2 H 1 3.518 0.002 . 2 . . . . 37 TRP HB2 . 15375 1
210 . 1 1 37 37 TRP HB3 H 1 3.624 0.003 . 2 . . . . 37 TRP HB3 . 15375 1
211 . 1 1 37 37 TRP HD1 H 1 7.668 0.002 . 1 . . . . 37 TRP HD1 . 15375 1
212 . 1 1 37 37 TRP HE1 H 1 11.835 0.001 . 1 . . . . 37 TRP HE1 . 15375 1
213 . 1 1 37 37 TRP HE3 H 1 8.150 0.003 . 1 . . . . 37 TRP HE3 . 15375 1
214 . 1 1 37 37 TRP HH2 H 1 9.587 0.002 . 1 . . . . 37 TRP HH2 . 15375 1
215 . 1 1 37 37 TRP HZ2 H 1 8.120 0.005 . 1 . . . . 37 TRP HZ2 . 15375 1
216 . 1 1 37 37 TRP HZ3 H 1 8.711 0.002 . 1 . . . . 37 TRP HZ3 . 15375 1
217 . 1 1 38 38 VAL H H 1 7.429 0.002 . 1 . . . . 38 VAL HN . 15375 1
218 . 1 1 38 38 VAL HA H 1 6.472 0.002 . 1 . . . . 38 VAL HA . 15375 1
219 . 1 1 38 38 VAL HB H 1 3.425 0.006 . 1 . . . . 38 VAL HB . 15375 1
220 . 1 1 38 38 VAL HG11 H 1 1.577 0.005 . 2 . . . . 38 VAL QG1 . 15375 1
221 . 1 1 38 38 VAL HG12 H 1 1.577 0.005 . 2 . . . . 38 VAL QG1 . 15375 1
222 . 1 1 38 38 VAL HG13 H 1 1.577 0.005 . 2 . . . . 38 VAL QG1 . 15375 1
223 . 1 1 38 38 VAL HG21 H 1 1.318 0.002 . 2 . . . . 38 VAL QG2 . 15375 1
224 . 1 1 38 38 VAL HG22 H 1 1.318 0.002 . 2 . . . . 38 VAL QG2 . 15375 1
225 . 1 1 38 38 VAL HG23 H 1 1.318 0.002 . 2 . . . . 38 VAL QG2 . 15375 1
226 . 1 1 39 39 CYS H H 1 11.767 0.003 . 1 . . . . 39 CYS HN . 15375 1
227 . 1 1 39 39 CYS HB2 H 1 189.410 0.003 . 2 . . . . 39 CYS HB2 . 15375 1
228 . 1 1 39 39 CYS HB3 H 1 167.640 0.003 . 2 . . . . 39 CYS HB3 . 15375 1
229 . 1 1 40 40 PRO HA H 1 5.751 0.000 . 1 . . . . 40 PRO HA . 15375 1
230 . 1 1 40 40 PRO HB2 H 1 0.417 0.007 . 2 . . . . 40 PRO HB2 . 15375 1
231 . 1 1 40 40 PRO HB3 H 1 1.534 0.003 . 2 . . . . 40 PRO HB3 . 15375 1
232 . 1 1 40 40 PRO HD2 H 1 4.460 0.000 . 2 . . . . 40 PRO HD2 . 15375 1
233 . 1 1 40 40 PRO HG2 H 1 -1.721 0.002 . 2 . . . . 40 PRO HG2 . 15375 1
234 . 1 1 40 40 PRO HG3 H 1 1.088 0.007 . 2 . . . . 40 PRO HG3 . 15375 1
235 . 1 1 41 41 VAL H H 1 15.050 0.003 . 1 . . . . 41 VAL HN . 15375 1
236 . 1 1 41 41 VAL HB H 1 -26.120 0.003 . 1 . . . . 41 VAL HB . 15375 1
237 . 1 1 41 41 VAL HG11 H 1 -1.692 0.003 . 2 . . . . 41 VAL QG1 . 15375 1
238 . 1 1 41 41 VAL HG12 H 1 -1.692 0.003 . 2 . . . . 41 VAL QG1 . 15375 1
239 . 1 1 41 41 VAL HG13 H 1 -1.692 0.003 . 2 . . . . 41 VAL QG1 . 15375 1
240 . 1 1 41 41 VAL HG21 H 1 -7.639 0.003 . 2 . . . . 41 VAL QG2 . 15375 1
241 . 1 1 41 41 VAL HG22 H 1 -7.639 0.003 . 2 . . . . 41 VAL QG2 . 15375 1
242 . 1 1 41 41 VAL HG23 H 1 -7.639 0.003 . 2 . . . . 41 VAL QG2 . 15375 1
243 . 1 1 42 42 CYS HA H 1 4.083 0.003 . 1 . . . . 42 CYS HA . 15375 1
244 . 1 1 42 42 CYS HB2 H 1 362.040 0.003 . 2 . . . . 42 CYS HB2 . 15375 1
245 . 1 1 42 42 CYS HB3 H 1 270.560 0.003 . 2 . . . . 42 CYS HB3 . 15375 1
246 . 1 1 43 43 GLY HA2 H 1 6.946 0.006 . 2 . . . . 43 GLY HA1 . 15375 1
247 . 1 1 43 43 GLY HA3 H 1 6.176 0.007 . 2 . . . . 43 GLY HA2 . 15375 1
248 . 1 1 44 44 ALA HA H 1 2.019 0.003 . 1 . . . . 44 ALA HA . 15375 1
249 . 1 1 44 44 ALA HB1 H 1 -14.040 0.003 . 1 . . . . 44 ALA QB . 15375 1
250 . 1 1 44 44 ALA HB2 H 1 -14.040 0.003 . 1 . . . . 44 ALA QB . 15375 1
251 . 1 1 44 44 ALA HB3 H 1 -14.040 0.003 . 1 . . . . 44 ALA QB . 15375 1
252 . 1 1 45 45 PRO HA H 1 5.165 0.006 . 1 . . . . 45 PRO HA . 15375 1
253 . 1 1 45 45 PRO HB2 H 1 2.043 0.000 . 2 . . . . 45 PRO HB2 . 15375 1
254 . 1 1 45 45 PRO HB3 H 1 1.309 0.007 . 2 . . . . 45 PRO HB3 . 15375 1
255 . 1 1 45 45 PRO HG2 H 1 0.959 0.002 . 2 . . . . 45 PRO HG2 . 15375 1
256 . 1 1 45 45 PRO HG3 H 1 1.040 0.004 . 2 . . . . 45 PRO HG3 . 15375 1
257 . 1 1 46 46 LYS H H 1 8.900 0.003 . 1 . . . . 46 LYS HN . 15375 1
258 . 1 1 46 46 LYS HA H 1 5.447 0.006 . 1 . . . . 46 LYS HA . 15375 1
259 . 1 1 46 46 LYS HB2 H 1 2.591 0.010 . 2 . . . . 46 LYS HB2 . 15375 1
260 . 1 1 46 46 LYS HB3 H 1 2.480 0.003 . 2 . . . . 46 LYS HB3 . 15375 1
261 . 1 1 46 46 LYS HD2 H 1 1.814 0.003 . 2 . . . . 46 LYS HD2 . 15375 1
262 . 1 1 46 46 LYS HD3 H 1 1.814 0.003 . 2 . . . . 46 LYS HD3 . 15375 1
263 . 1 1 46 46 LYS HE2 H 1 2.892 0.006 . 2 . . . . 46 LYS HE2 . 15375 1
264 . 1 1 46 46 LYS HE3 H 1 2.892 0.006 . 2 . . . . 46 LYS HE3 . 15375 1
265 . 1 1 46 46 LYS HG2 H 1 2.031 0.011 . 2 . . . . 46 LYS HG2 . 15375 1
266 . 1 1 46 46 LYS HG3 H 1 2.031 0.011 . 2 . . . . 46 LYS HG3 . 15375 1
267 . 1 1 46 46 LYS HZ1 H 1 8.150 0.001 . 1 . . . . 46 LYS HZ1 . 15375 1
268 . 1 1 46 46 LYS HZ2 H 1 8.150 0.001 . 1 . . . . 46 LYS HZ2 . 15375 1
269 . 1 1 46 46 LYS HZ3 H 1 8.150 0.001 . 1 . . . . 46 LYS HZ2 . 15375 1
270 . 1 1 47 47 SER H H 1 8.079 0.005 . 1 . . . . 47 SER HN . 15375 1
271 . 1 1 47 47 SER HA H 1 4.370 0.000 . 1 . . . . 47 SER HA . 15375 1
272 . 1 1 47 47 SER HB2 H 1 3.787 0.000 . 2 . . . . 47 SER HB2 . 15375 1
273 . 1 1 47 47 SER HB3 H 1 3.849 0.000 . 2 . . . . 47 SER HB3 . 15375 1
274 . 1 1 48 48 GLU H H 1 7.891 0.002 . 1 . . . . 48 GLU HN . 15375 1
275 . 1 1 48 48 GLU HA H 1 3.560 0.001 . 1 . . . . 48 GLU HA . 15375 1
276 . 1 1 48 48 GLU HB2 H 1 -1.470 0.002 . 2 . . . . 48 GLU HB2 . 15375 1
277 . 1 1 48 48 GLU HB3 H 1 -1.633 0.002 . 2 . . . . 48 GLU HB3 . 15375 1
278 . 1 1 48 48 GLU HG2 H 1 -0.674 0.001 . 2 . . . . 48 GLU HG2 . 15375 1
279 . 1 1 48 48 GLU HG3 H 1 0.111 0.003 . 2 . . . . 48 GLU HG3 . 15375 1
280 . 1 1 49 49 PHE H H 1 8.470 0.003 . 1 . . . . 49 PHE HN . 15375 1
281 . 1 1 49 49 PHE HA H 1 6.898 0.001 . 1 . . . . 49 PHE HA . 15375 1
282 . 1 1 49 49 PHE HB2 H 1 5.140 0.004 . 2 . . . . 49 PHE HB2 . 15375 1
283 . 1 1 49 49 PHE HB3 H 1 4.211 0.002 . 2 . . . . 49 PHE HB3 . 15375 1
284 . 1 1 49 49 PHE HD1 H 1 9.756 0.003 . 1 . . . . 49 PHE HD1 . 15375 1
285 . 1 1 49 49 PHE HD2 H 1 9.756 0.003 . 1 . . . . 49 PHE HD2 . 15375 1
286 . 1 1 49 49 PHE HE1 H 1 14.080 0.003 . 1 . . . . 49 PHE HE1 . 15375 1
287 . 1 1 49 49 PHE HZ H 1 20.340 0.003 . 1 . . . . 49 PHE HZ . 15375 1
288 . 1 1 50 50 GLU H H 1 10.109 0.003 . 1 . . . . 50 GLU HN . 15375 1
289 . 1 1 50 50 GLU HA H 1 5.184 0.004 . 1 . . . . 50 GLU HA . 15375 1
290 . 1 1 50 50 GLU HB2 H 1 2.465 0.004 . 2 . . . . 50 GLU HB2 . 15375 1
291 . 1 1 50 50 GLU HB3 H 1 2.386 0.000 . 2 . . . . 50 GLU HB3 . 15375 1
292 . 1 1 50 50 GLU HG2 H 1 2.142 0.004 . 2 . . . . 50 GLU HG2 . 15375 1
293 . 1 1 50 50 GLU HG3 H 1 2.215 0.003 . 2 . . . . 50 GLU HG3 . 15375 1
294 . 1 1 51 51 ALA H H 1 8.919 0.003 . 1 . . . . 51 ALA HN . 15375 1
295 . 1 1 51 51 ALA HA H 1 3.839 0.004 . 1 . . . . 51 ALA HA . 15375 1
296 . 1 1 51 51 ALA HB1 H 1 1.221 0.002 . 1 . . . . 51 ALA QB . 15375 1
297 . 1 1 51 51 ALA HB2 H 1 1.221 0.002 . 1 . . . . 51 ALA QB . 15375 1
298 . 1 1 51 51 ALA HB3 H 1 1.221 0.002 . 1 . . . . 51 ALA QB . 15375 1
299 . 1 1 52 52 ALA H H 1 8.529 0.002 . 1 . . . . 52 ALA HN . 15375 1
300 . 1 1 52 52 ALA HA H 1 4.332 0.001 . 1 . . . . 52 ALA HA . 15375 1
301 . 1 1 52 52 ALA HB1 H 1 1.445 0.000 . 1 . . . . 52 ALA QB . 15375 1
302 . 1 1 52 52 ALA HB2 H 1 1.445 0.000 . 1 . . . . 52 ALA QB . 15375 1
303 . 1 1 52 52 ALA HB3 H 1 1.445 0.000 . 1 . . . . 52 ALA QB . 15375 1
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