Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 51942
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name Chemical-shifts_D2O_25C
_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
8 '2D 1H-1H TOCSY' . . . 51942 2
9 '2D 1H-1H NOESY' . . . 51942 2
10 '2D 1H-13C HSQC aliphatic' . . . 51942 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
2 $software_2 . . 51942 2
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 SER HA H 1 4.070 0.000 . 1 . . . . . 1 SER HA . 51942 2
2 . 1 . 1 1 1 SER HB2 H 1 3.898 0.000 . 2 . . . . . 1 SER HB2 . 51942 2
3 . 1 . 1 1 1 SER HB3 H 1 3.947 0.000 . 2 . . . . . 1 SER HB3 . 51942 2
4 . 1 . 1 1 1 SER CA C 13 57.202 0.000 . 1 . . . . . 1 SER CA . 51942 2
5 . 1 . 1 1 1 SER CB C 13 63.023 0.003 . 1 . . . . . 1 SER CB . 51942 2
6 . 1 . 1 2 2 TYR HA H 1 4.726 0.005 . 1 . . . . . 2 TYR HA . 51942 2
7 . 1 . 1 2 2 TYR HB2 H 1 2.984 0.004 . 2 . . . . . 2 TYR HB2 . 51942 2
8 . 1 . 1 2 2 TYR HB3 H 1 2.984 0.004 . 2 . . . . . 2 TYR HB3 . 51942 2
9 . 1 . 1 2 2 TYR HD1 H 1 7.113 0.000 . 1 . . . . . 2 TYR HD1 . 51942 2
10 . 1 . 1 2 2 TYR HD2 H 1 7.113 0.000 . 1 . . . . . 2 TYR HD2 . 51942 2
11 . 1 . 1 2 2 TYR CA C 13 57.782 0.000 . 1 . . . . . 2 TYR CA . 51942 2
12 . 1 . 1 2 2 TYR CB C 13 38.987 0.000 . 1 . . . . . 2 TYR CB . 51942 2
13 . 1 . 1 3 3 VAL HA H 1 4.125 0.005 . 1 . . . . . 3 VAL HA . 51942 2
14 . 1 . 1 3 3 VAL HB H 1 2.089 0.000 . 1 . . . . . 3 VAL HB . 51942 2
15 . 1 . 1 3 3 VAL HG11 H 1 0.933 0.000 . 2 . . . . . 3 VAL QG1 . 51942 2
16 . 1 . 1 3 3 VAL HG12 H 1 0.933 0.000 . 2 . . . . . 3 VAL QG1 . 51942 2
17 . 1 . 1 3 3 VAL HG13 H 1 0.933 0.000 . 2 . . . . . 3 VAL QG1 . 51942 2
18 . 1 . 1 3 3 VAL HG21 H 1 0.940 0.007 . 2 . . . . . 3 VAL QG2 . 51942 2
19 . 1 . 1 3 3 VAL HG22 H 1 0.940 0.007 . 2 . . . . . 3 VAL QG2 . 51942 2
20 . 1 . 1 3 3 VAL HG23 H 1 0.940 0.007 . 2 . . . . . 3 VAL QG2 . 51942 2
21 . 1 . 1 3 3 VAL CA C 13 62.491 0.000 . 1 . . . . . 3 VAL CA . 51942 2
22 . 1 . 1 3 3 VAL CB C 13 32.921 0.000 . 1 . . . . . 3 VAL CB . 51942 2
23 . 1 . 1 3 3 VAL CG1 C 13 20.304 0.000 . 1 . . . . . 3 VAL CG1 . 51942 2
24 . 1 . 1 3 3 VAL CG2 C 13 21.111 0.000 . 1 . . . . . 3 VAL CG2 . 51942 2
25 . 1 . 1 4 4 GLY HA2 H 1 3.954 0.000 . 2 . . . . . 4 GLY HA2 . 51942 2
26 . 1 . 1 4 4 GLY HA3 H 1 4.063 0.000 . 2 . . . . . 4 GLY HA3 . 51942 2
27 . 1 . 1 4 4 GLY CA C 13 44.667 0.015 . 1 . . . . . 4 GLY CA . 51942 2
28 . 1 . 1 5 5 ASP HA H 1 4.675 0.001 . 1 . . . . . 5 ASP HA . 51942 2
29 . 1 . 1 5 5 ASP HB2 H 1 2.696 0.002 . 2 . . . . . 5 ASP HB2 . 51942 2
30 . 1 . 1 5 5 ASP HB3 H 1 2.884 0.004 . 2 . . . . . 5 ASP HB3 . 51942 2
31 . 1 . 1 5 5 ASP CA C 13 54.366 0.000 . 1 . . . . . 5 ASP CA . 51942 2
32 . 1 . 1 5 5 ASP CB C 13 42.155 0.020 . 1 . . . . . 5 ASP CB . 51942 2
33 . 1 . 1 6 6 CYS HA H 1 3.875 0.008 . 1 . . . . . 6 CYS HA . 51942 2
34 . 1 . 1 6 6 CYS HB2 H 1 2.832 0.004 . 2 . . . . . 6 CYS HB2 . 51942 2
35 . 1 . 1 6 6 CYS HB3 H 1 2.943 0.003 . 2 . . . . . 6 CYS HB3 . 51942 2
36 . 1 . 1 6 6 CYS CA C 13 60.048 0.000 . 1 . . . . . 6 CYS CA . 51942 2
37 . 1 . 1 6 6 CYS CB C 13 39.877 0.009 . 1 . . . . . 6 CYS CB . 51942 2
38 . 1 . 1 7 7 GLY HA2 H 1 3.790 0.000 . 2 . . . . . 7 GLY HA2 . 51942 2
39 . 1 . 1 7 7 GLY HA3 H 1 4.345 0.000 . 2 . . . . . 7 GLY HA3 . 51942 2
40 . 1 . 1 7 7 GLY CA C 13 46.428 0.029 . 1 . . . . . 7 GLY CA . 51942 2
41 . 1 . 1 8 8 SER HA H 1 4.440 0.000 . 1 . . . . . 8 SER HA . 51942 2
42 . 1 . 1 8 8 SER HB2 H 1 3.847 0.000 . 2 . . . . . 8 SER HB2 . 51942 2
43 . 1 . 1 8 8 SER HB3 H 1 3.894 0.000 . 2 . . . . . 8 SER HB3 . 51942 2
44 . 1 . 1 8 8 SER CA C 13 59.996 0.000 . 1 . . . . . 8 SER CA . 51942 2
45 . 1 . 1 8 8 SER CB C 13 62.849 0.015 . 1 . . . . . 8 SER CB . 51942 2
46 . 1 . 1 9 9 ASN HA H 1 4.724 0.005 . 1 . . . . . 9 ASN HA . 51942 2
47 . 1 . 1 9 9 ASN HB2 H 1 1.538 0.004 . 2 . . . . . 9 ASN HB2 . 51942 2
48 . 1 . 1 9 9 ASN HB3 H 1 2.394 0.005 . 2 . . . . . 9 ASN HB3 . 51942 2
49 . 1 . 1 9 9 ASN CA C 13 53.386 0.000 . 1 . . . . . 9 ASN CA . 51942 2
50 . 1 . 1 9 9 ASN CB C 13 40.081 0.036 . 1 . . . . . 9 ASN CB . 51942 2
51 . 1 . 1 10 10 GLY HA2 H 1 3.757 0.000 . 2 . . . . . 10 GLY HA2 . 51942 2
52 . 1 . 1 10 10 GLY HA3 H 1 4.152 0.000 . 2 . . . . . 10 GLY HA3 . 51942 2
53 . 1 . 1 10 10 GLY CA C 13 45.969 0.003 . 1 . . . . . 10 GLY CA . 51942 2
54 . 1 . 1 11 11 GLY HA2 H 1 3.328 0.005 . 2 . . . . . 11 GLY HA2 . 51942 2
55 . 1 . 1 11 11 GLY HA3 H 1 4.840 0.007 . 2 . . . . . 11 GLY HA3 . 51942 2
56 . 1 . 1 11 11 GLY CA C 13 44.117 0.040 . 1 . . . . . 11 GLY CA . 51942 2
57 . 1 . 1 12 12 SER H H 1 8.591 0.003 . 1 . . . . . 12 SER H . 51942 2
58 . 1 . 1 12 12 SER HA H 1 4.558 0.004 . 1 . . . . . 12 SER HA . 51942 2
59 . 1 . 1 12 12 SER HB2 H 1 3.595 0.003 . 2 . . . . . 12 SER HB2 . 51942 2
60 . 1 . 1 12 12 SER HB3 H 1 3.682 0.004 . 2 . . . . . 12 SER HB3 . 51942 2
61 . 1 . 1 12 12 SER CA C 13 57.148 0.000 . 1 . . . . . 12 SER CA . 51942 2
62 . 1 . 1 12 12 SER CB C 13 65.907 0.023 . 1 . . . . . 12 SER CB . 51942 2
63 . 1 . 1 13 13 CYS HA H 1 5.236 0.003 . 1 . . . . . 13 CYS HA . 51942 2
64 . 1 . 1 13 13 CYS HB2 H 1 2.602 0.002 . 2 . . . . . 13 CYS HB2 . 51942 2
65 . 1 . 1 13 13 CYS HB3 H 1 3.017 0.003 . 2 . . . . . 13 CYS HB3 . 51942 2
66 . 1 . 1 13 13 CYS CA C 13 54.228 0.000 . 1 . . . . . 13 CYS CA . 51942 2
67 . 1 . 1 13 13 CYS CB C 13 38.955 0.000 . 1 . . . . . 13 CYS CB . 51942 2
68 . 1 . 1 14 14 VAL HA H 1 4.899 0.004 . 1 . . . . . 14 VAL HA . 51942 2
69 . 1 . 1 14 14 VAL HB H 1 2.371 0.005 . 1 . . . . . 14 VAL HB . 51942 2
70 . 1 . 1 14 14 VAL HG11 H 1 0.913 0.001 . 2 . . . . . 14 VAL QG1 . 51942 2
71 . 1 . 1 14 14 VAL HG12 H 1 0.913 0.001 . 2 . . . . . 14 VAL QG1 . 51942 2
72 . 1 . 1 14 14 VAL HG13 H 1 0.913 0.001 . 2 . . . . . 14 VAL QG1 . 51942 2
73 . 1 . 1 14 14 VAL HG21 H 1 0.969 0.002 . 2 . . . . . 14 VAL QG2 . 51942 2
74 . 1 . 1 14 14 VAL HG22 H 1 0.969 0.002 . 2 . . . . . 14 VAL QG2 . 51942 2
75 . 1 . 1 14 14 VAL HG23 H 1 0.969 0.002 . 2 . . . . . 14 VAL QG2 . 51942 2
76 . 1 . 1 14 14 VAL CA C 13 59.713 0.000 . 1 . . . . . 14 VAL CA . 51942 2
77 . 1 . 1 14 14 VAL CB C 13 35.346 0.000 . 1 . . . . . 14 VAL CB . 51942 2
78 . 1 . 1 14 14 VAL CG1 C 13 21.528 0.000 . 1 . . . . . 14 VAL CG1 . 51942 2
79 . 1 . 1 14 14 VAL CG2 C 13 18.031 0.000 . 1 . . . . . 14 VAL CG2 . 51942 2
80 . 1 . 1 15 15 SER HA H 1 4.823 0.003 . 1 . . . . . 15 SER HA . 51942 2
81 . 1 . 1 15 15 SER HB2 H 1 3.772 0.005 . 2 . . . . . 15 SER HB2 . 51942 2
82 . 1 . 1 15 15 SER HB3 H 1 4.018 0.003 . 2 . . . . . 15 SER HB3 . 51942 2
83 . 1 . 1 15 15 SER CA C 13 57.996 0.000 . 1 . . . . . 15 SER CA . 51942 2
84 . 1 . 1 15 15 SER CB C 13 63.944 0.035 . 1 . . . . . 15 SER CB . 51942 2
85 . 1 . 1 16 16 SER HA H 1 4.513 0.002 . 1 . . . . . 16 SER HA . 51942 2
86 . 1 . 1 16 16 SER HB2 H 1 3.894 0.004 . 2 . . . . . 16 SER HB2 . 51942 2
87 . 1 . 1 16 16 SER HB3 H 1 4.102 0.002 . 2 . . . . . 16 SER HB3 . 51942 2
88 . 1 . 1 16 16 SER CA C 13 56.511 0.000 . 1 . . . . . 16 SER CA . 51942 2
89 . 1 . 1 16 16 SER CB C 13 64.261 0.027 . 1 . . . . . 16 SER CB . 51942 2
90 . 1 . 1 17 17 TYR HA H 1 4.217 0.007 . 1 . . . . . 17 TYR HA . 51942 2
91 . 1 . 1 17 17 TYR HB2 H 1 2.748 0.003 . 2 . . . . . 17 TYR HB2 . 51942 2
92 . 1 . 1 17 17 TYR HB3 H 1 3.123 0.005 . 2 . . . . . 17 TYR HB3 . 51942 2
93 . 1 . 1 17 17 TYR HD1 H 1 7.050 0.002 . 1 . . . . . 17 TYR HD1 . 51942 2
94 . 1 . 1 17 17 TYR HD2 H 1 7.050 0.002 . 1 . . . . . 17 TYR HD2 . 51942 2
95 . 1 . 1 17 17 TYR HE1 H 1 6.743 0.000 . 1 . . . . . 17 TYR HE1 . 51942 2
96 . 1 . 1 17 17 TYR HE2 H 1 6.743 0.000 . 1 . . . . . 17 TYR HE2 . 51942 2
97 . 1 . 1 17 17 TYR CA C 13 59.338 0.000 . 1 . . . . . 17 TYR CA . 51942 2
98 . 1 . 1 17 17 TYR CB C 13 38.385 0.014 . 1 . . . . . 17 TYR CB . 51942 2
99 . 1 . 1 18 18 CYS HA H 1 4.949 0.004 . 1 . . . . . 18 CYS HA . 51942 2
100 . 1 . 1 18 18 CYS HB2 H 1 2.331 0.004 . 2 . . . . . 18 CYS HB2 . 51942 2
101 . 1 . 1 18 18 CYS HB3 H 1 2.881 0.002 . 2 . . . . . 18 CYS HB3 . 51942 2
102 . 1 . 1 18 18 CYS CA C 13 51.846 0.000 . 1 . . . . . 18 CYS CA . 51942 2
103 . 1 . 1 18 18 CYS CB C 13 42.355 0.011 . 1 . . . . . 18 CYS CB . 51942 2
104 . 1 . 1 19 19 PRO HA H 1 4.145 0.006 . 1 . . . . . 19 PRO HA . 51942 2
105 . 1 . 1 19 19 PRO HB2 H 1 1.867 0.006 . 2 . . . . . 19 PRO HB2 . 51942 2
106 . 1 . 1 19 19 PRO HB3 H 1 2.447 0.011 . 2 . . . . . 19 PRO HB3 . 51942 2
107 . 1 . 1 19 19 PRO HG2 H 1 1.972 0.000 . 2 . . . . . 19 PRO HG2 . 51942 2
108 . 1 . 1 19 19 PRO HG3 H 1 2.056 0.000 . 2 . . . . . 19 PRO HG3 . 51942 2
109 . 1 . 1 19 19 PRO HD2 H 1 3.450 0.012 . 2 . . . . . 19 PRO HD2 . 51942 2
110 . 1 . 1 19 19 PRO HD3 H 1 3.652 0.003 . 2 . . . . . 19 PRO HD3 . 51942 2
111 . 1 . 1 19 19 PRO CA C 13 63.015 0.000 . 1 . . . . . 19 PRO CA . 51942 2
112 . 1 . 1 19 19 PRO CB C 13 32.315 0.014 . 1 . . . . . 19 PRO CB . 51942 2
113 . 1 . 1 19 19 PRO CG C 13 27.570 0.011 . 1 . . . . . 19 PRO CG . 51942 2
114 . 1 . 1 19 19 PRO CD C 13 51.358 0.023 . 1 . . . . . 19 PRO CD . 51942 2
115 . 1 . 1 20 20 TYR HA H 1 3.763 0.004 . 1 . . . . . 20 TYR HA . 51942 2
116 . 1 . 1 20 20 TYR HB2 H 1 2.987 0.009 . 2 . . . . . 20 TYR HB2 . 51942 2
117 . 1 . 1 20 20 TYR HB3 H 1 3.060 0.003 . 2 . . . . . 20 TYR HB3 . 51942 2
118 . 1 . 1 20 20 TYR HD1 H 1 7.133 0.002 . 1 . . . . . 20 TYR HD1 . 51942 2
119 . 1 . 1 20 20 TYR HD2 H 1 7.133 0.002 . 1 . . . . . 20 TYR HD2 . 51942 2
120 . 1 . 1 20 20 TYR CA C 13 62.454 0.000 . 1 . . . . . 20 TYR CA . 51942 2
121 . 1 . 1 20 20 TYR CB C 13 38.414 0.007 . 1 . . . . . 20 TYR CB . 51942 2
122 . 1 . 1 21 21 GLY HA2 H 1 3.892 0.000 . 2 . . . . . 21 GLY HA2 . 51942 2
123 . 1 . 1 21 21 GLY HA3 H 1 3.892 0.000 . 2 . . . . . 21 GLY HA3 . 51942 2
124 . 1 . 1 21 21 GLY CA C 13 45.796 0.000 . 1 . . . . . 21 GLY CA . 51942 2
125 . 1 . 1 22 22 ASN HA H 1 4.864 0.004 . 1 . . . . . 22 ASN HA . 51942 2
126 . 1 . 1 22 22 ASN HB2 H 1 2.601 0.005 . 2 . . . . . 22 ASN HB2 . 51942 2
127 . 1 . 1 22 22 ASN HB3 H 1 3.139 0.005 . 2 . . . . . 22 ASN HB3 . 51942 2
128 . 1 . 1 22 22 ASN CA C 13 52.189 0.000 . 1 . . . . . 22 ASN CA . 51942 2
129 . 1 . 1 22 22 ASN CB C 13 39.657 0.015 . 1 . . . . . 22 ASN CB . 51942 2
130 . 1 . 1 23 23 ARG HA H 1 4.633 0.004 . 1 . . . . . 23 ARG HA . 51942 2
131 . 1 . 1 23 23 ARG HB2 H 1 1.684 0.005 . 2 . . . . . 23 ARG HB2 . 51942 2
132 . 1 . 1 23 23 ARG HB3 H 1 1.811 0.003 . 2 . . . . . 23 ARG HB3 . 51942 2
133 . 1 . 1 23 23 ARG HG2 H 1 1.273 0.002 . 2 . . . . . 23 ARG HG2 . 51942 2
134 . 1 . 1 23 23 ARG HG3 H 1 1.690 0.000 . 2 . . . . . 23 ARG HG3 . 51942 2
135 . 1 . 1 23 23 ARG HD2 H 1 2.937 0.001 . 2 . . . . . 23 ARG HD2 . 51942 2
136 . 1 . 1 23 23 ARG HD3 H 1 3.130 0.003 . 2 . . . . . 23 ARG HD3 . 51942 2
137 . 1 . 1 23 23 ARG CA C 13 57.159 0.000 . 1 . . . . . 23 ARG CA . 51942 2
138 . 1 . 1 23 23 ARG CB C 13 30.649 0.024 . 1 . . . . . 23 ARG CB . 51942 2
139 . 1 . 1 23 23 ARG CG C 13 28.285 0.014 . 1 . . . . . 23 ARG CG . 51942 2
140 . 1 . 1 23 23 ARG CD C 13 43.743 0.076 . 1 . . . . . 23 ARG CD . 51942 2
141 . 1 . 1 24 24 LEU HA H 1 4.652 0.002 . 1 . . . . . 24 LEU HA . 51942 2
142 . 1 . 1 24 24 LEU HB2 H 1 1.507 0.006 . 2 . . . . . 24 LEU HB2 . 51942 2
143 . 1 . 1 24 24 LEU HB3 H 1 1.571 0.005 . 2 . . . . . 24 LEU HB3 . 51942 2
144 . 1 . 1 24 24 LEU HG H 1 1.584 0.000 . 1 . . . . . 24 LEU HG . 51942 2
145 . 1 . 1 24 24 LEU HD11 H 1 0.805 0.003 . 2 . . . . . 24 LEU QD1 . 51942 2
146 . 1 . 1 24 24 LEU HD12 H 1 0.805 0.003 . 2 . . . . . 24 LEU QD1 . 51942 2
147 . 1 . 1 24 24 LEU HD13 H 1 0.805 0.003 . 2 . . . . . 24 LEU QD1 . 51942 2
148 . 1 . 1 24 24 LEU HD21 H 1 0.889 0.002 . 2 . . . . . 24 LEU QD2 . 51942 2
149 . 1 . 1 24 24 LEU HD22 H 1 0.889 0.002 . 2 . . . . . 24 LEU QD2 . 51942 2
150 . 1 . 1 24 24 LEU HD23 H 1 0.889 0.002 . 2 . . . . . 24 LEU QD2 . 51942 2
151 . 1 . 1 24 24 LEU CA C 13 52.662 0.000 . 1 . . . . . 24 LEU CA . 51942 2
152 . 1 . 1 24 24 LEU CB C 13 45.474 0.018 . 1 . . . . . 24 LEU CB . 51942 2
153 . 1 . 1 24 24 LEU CG C 13 26.983 0.000 . 1 . . . . . 24 LEU CG . 51942 2
154 . 1 . 1 24 24 LEU CD1 C 13 25.469 0.000 . 1 . . . . . 24 LEU CD1 . 51942 2
155 . 1 . 1 24 24 LEU CD2 C 13 22.859 0.000 . 1 . . . . . 24 LEU CD2 . 51942 2
156 . 1 . 1 25 25 ASN HA H 1 4.665 0.003 . 1 . . . . . 25 ASN HA . 51942 2
157 . 1 . 1 25 25 ASN HB2 H 1 2.341 0.006 . 2 . . . . . 25 ASN HB2 . 51942 2
158 . 1 . 1 25 25 ASN HB3 H 1 2.531 0.007 . 2 . . . . . 25 ASN HB3 . 51942 2
159 . 1 . 1 25 25 ASN CA C 13 52.108 0.000 . 1 . . . . . 25 ASN CA . 51942 2
160 . 1 . 1 25 25 ASN CB C 13 36.663 0.004 . 1 . . . . . 25 ASN CB . 51942 2
161 . 1 . 1 26 26 TYR HA H 1 4.698 0.003 . 1 . . . . . 26 TYR HA . 51942 2
162 . 1 . 1 26 26 TYR HB2 H 1 2.542 0.008 . 2 . . . . . 26 TYR HB2 . 51942 2
163 . 1 . 1 26 26 TYR HB3 H 1 3.068 0.005 . 2 . . . . . 26 TYR HB3 . 51942 2
164 . 1 . 1 26 26 TYR HD1 H 1 6.949 0.001 . 1 . . . . . 26 TYR HD1 . 51942 2
165 . 1 . 1 26 26 TYR HD2 H 1 6.949 0.001 . 1 . . . . . 26 TYR HD2 . 51942 2
166 . 1 . 1 26 26 TYR HE1 H 1 6.694 0.001 . 1 . . . . . 26 TYR HE1 . 51942 2
167 . 1 . 1 26 26 TYR HE2 H 1 6.694 0.001 . 1 . . . . . 26 TYR HE2 . 51942 2
168 . 1 . 1 26 26 TYR CA C 13 56.649 0.000 . 1 . . . . . 26 TYR CA . 51942 2
169 . 1 . 1 26 26 TYR CB C 13 42.242 0.008 . 1 . . . . . 26 TYR CB . 51942 2
170 . 1 . 1 27 27 PHE HA H 1 4.382 0.006 . 1 . . . . . 27 PHE HA . 51942 2
171 . 1 . 1 27 27 PHE HB2 H 1 2.906 0.004 . 2 . . . . . 27 PHE HB2 . 51942 2
172 . 1 . 1 27 27 PHE HB3 H 1 3.237 0.006 . 2 . . . . . 27 PHE HB3 . 51942 2
173 . 1 . 1 27 27 PHE HD1 H 1 7.214 0.000 . 1 . . . . . 27 PHE HD1 . 51942 2
174 . 1 . 1 27 27 PHE HD2 H 1 7.214 0.000 . 1 . . . . . 27 PHE HD2 . 51942 2
175 . 1 . 1 27 27 PHE HE1 H 1 7.318 0.004 . 1 . . . . . 27 PHE HE1 . 51942 2
176 . 1 . 1 27 27 PHE HE2 H 1 7.318 0.004 . 1 . . . . . 27 PHE HE2 . 51942 2
177 . 1 . 1 27 27 PHE HZ H 1 7.292 0.000 . 1 . . . . . 27 PHE HZ . 51942 2
178 . 1 . 1 27 27 PHE CA C 13 60.141 0.000 . 1 . . . . . 27 PHE CA . 51942 2
179 . 1 . 1 27 27 PHE CB C 13 40.251 0.008 . 1 . . . . . 27 PHE CB . 51942 2
180 . 1 . 1 28 28 CYS HA H 1 4.711 0.004 . 1 . . . . . 28 CYS HA . 51942 2
181 . 1 . 1 28 28 CYS HB2 H 1 2.458 0.001 . 2 . . . . . 28 CYS HB2 . 51942 2
182 . 1 . 1 28 28 CYS HB3 H 1 2.559 0.005 . 2 . . . . . 28 CYS HB3 . 51942 2
183 . 1 . 1 28 28 CYS CA C 13 53.314 0.000 . 1 . . . . . 28 CYS CA . 51942 2
184 . 1 . 1 28 28 CYS CB C 13 43.826 0.040 . 1 . . . . . 28 CYS CB . 51942 2
185 . 1 . 1 29 29 PRO HA H 1 4.314 0.004 . 1 . . . . . 29 PRO HA . 51942 2
186 . 1 . 1 29 29 PRO HB2 H 1 1.875 0.000 . 2 . . . . . 29 PRO HB2 . 51942 2
187 . 1 . 1 29 29 PRO HB3 H 1 2.435 0.005 . 2 . . . . . 29 PRO HB3 . 51942 2
188 . 1 . 1 29 29 PRO HG2 H 1 1.930 0.003 . 2 . . . . . 29 PRO HG2 . 51942 2
189 . 1 . 1 29 29 PRO HG3 H 1 2.102 0.003 . 2 . . . . . 29 PRO HG3 . 51942 2
190 . 1 . 1 29 29 PRO HD2 H 1 3.468 0.000 . 2 . . . . . 29 PRO HD2 . 51942 2
191 . 1 . 1 29 29 PRO HD3 H 1 3.710 0.003 . 2 . . . . . 29 PRO HD3 . 51942 2
192 . 1 . 1 29 29 PRO CA C 13 62.358 0.000 . 1 . . . . . 29 PRO CA . 51942 2
193 . 1 . 1 29 29 PRO CB C 13 32.908 0.012 . 1 . . . . . 29 PRO CB . 51942 2
194 . 1 . 1 29 29 PRO CG C 13 27.335 0.014 . 1 . . . . . 29 PRO CG . 51942 2
195 . 1 . 1 29 29 PRO CD C 13 50.661 0.027 . 1 . . . . . 29 PRO CD . 51942 2
196 . 1 . 1 30 30 LEU HA H 1 4.021 0.004 . 1 . . . . . 30 LEU HA . 51942 2
197 . 1 . 1 30 30 LEU HB3 H 1 1.661 0.006 . 2 . . . . . 30 LEU HB3 . 51942 2
198 . 1 . 1 30 30 LEU HG H 1 1.596 0.002 . 1 . . . . . 30 LEU HG . 51942 2
199 . 1 . 1 30 30 LEU HD11 H 1 0.936 0.002 . 2 . . . . . 30 LEU QD1 . 51942 2
200 . 1 . 1 30 30 LEU HD12 H 1 0.936 0.002 . 2 . . . . . 30 LEU QD1 . 51942 2
201 . 1 . 1 30 30 LEU HD13 H 1 0.936 0.002 . 2 . . . . . 30 LEU QD1 . 51942 2
202 . 1 . 1 30 30 LEU HD21 H 1 0.945 0.005 . 2 . . . . . 30 LEU QD2 . 51942 2
203 . 1 . 1 30 30 LEU HD22 H 1 0.945 0.005 . 2 . . . . . 30 LEU QD2 . 51942 2
204 . 1 . 1 30 30 LEU HD23 H 1 0.945 0.005 . 2 . . . . . 30 LEU QD2 . 51942 2
205 . 1 . 1 30 30 LEU CA C 13 56.248 0.000 . 1 . . . . . 30 LEU CA . 51942 2
206 . 1 . 1 30 30 LEU CB C 13 40.873 0.000 . 1 . . . . . 30 LEU CB . 51942 2
207 . 1 . 1 30 30 LEU CG C 13 26.986 0.000 . 1 . . . . . 30 LEU CG . 51942 2
208 . 1 . 1 30 30 LEU CD1 C 13 23.593 0.000 . 1 . . . . . 30 LEU CD1 . 51942 2
209 . 1 . 1 30 30 LEU CD2 C 13 24.862 0.000 . 1 . . . . . 30 LEU CD2 . 51942 2
210 . 1 . 1 31 31 GLY HA2 H 1 3.698 0.000 . 2 . . . . . 31 GLY HA2 . 51942 2
211 . 1 . 1 31 31 GLY HA3 H 1 4.143 0.000 . 2 . . . . . 31 GLY HA3 . 51942 2
212 . 1 . 1 31 31 GLY CA C 13 45.294 0.029 . 1 . . . . . 31 GLY CA . 51942 2
213 . 1 . 1 32 32 ARG HA H 1 4.618 0.004 . 1 . . . . . 32 ARG HA . 51942 2
214 . 1 . 1 32 32 ARG HB2 H 1 1.517 0.008 . 2 . . . . . 32 ARG HB2 . 51942 2
215 . 1 . 1 32 32 ARG HB3 H 1 1.601 0.004 . 2 . . . . . 32 ARG HB3 . 51942 2
216 . 1 . 1 32 32 ARG HG2 H 1 1.380 0.007 . 2 . . . . . 32 ARG HG2 . 51942 2
217 . 1 . 1 32 32 ARG HG3 H 1 1.525 0.006 . 2 . . . . . 32 ARG HG3 . 51942 2
218 . 1 . 1 32 32 ARG HD2 H 1 2.869 0.006 . 2 . . . . . 32 ARG HD2 . 51942 2
219 . 1 . 1 32 32 ARG HD3 H 1 2.869 0.006 . 2 . . . . . 32 ARG HD3 . 51942 2
220 . 1 . 1 32 32 ARG CA C 13 55.353 0.000 . 1 . . . . . 32 ARG CA . 51942 2
221 . 1 . 1 32 32 ARG CB C 13 32.757 0.032 . 1 . . . . . 32 ARG CB . 51942 2
222 . 1 . 1 32 32 ARG CG C 13 28.691 0.010 . 1 . . . . . 32 ARG CG . 51942 2
223 . 1 . 1 32 32 ARG CD C 13 43.450 0.000 . 1 . . . . . 32 ARG CD . 51942 2
224 . 1 . 1 33 33 THR HA H 1 4.374 0.004 . 1 . . . . . 33 THR HA . 51942 2
225 . 1 . 1 33 33 THR HB H 1 3.842 0.003 . 1 . . . . . 33 THR HB . 51942 2
226 . 1 . 1 33 33 THR HG21 H 1 1.104 0.003 . 1 . . . . . 33 THR QG2 . 51942 2
227 . 1 . 1 33 33 THR HG22 H 1 1.104 0.003 . 1 . . . . . 33 THR QG2 . 51942 2
228 . 1 . 1 33 33 THR HG23 H 1 1.104 0.003 . 1 . . . . . 33 THR QG2 . 51942 2
229 . 1 . 1 33 33 THR CA C 13 61.617 0.000 . 1 . . . . . 33 THR CA . 51942 2
230 . 1 . 1 33 33 THR CB C 13 71.313 0.000 . 1 . . . . . 33 THR CB . 51942 2
231 . 1 . 1 33 33 THR CG2 C 13 21.138 0.000 . 1 . . . . . 33 THR CG2 . 51942 2
232 . 1 . 1 34 34 CYS HA H 1 4.789 0.003 . 1 . . . . . 34 CYS HA . 51942 2
233 . 1 . 1 34 34 CYS HB2 H 1 3.120 0.001 . 2 . . . . . 34 CYS HB2 . 51942 2
234 . 1 . 1 34 34 CYS HB3 H 1 3.639 0.006 . 2 . . . . . 34 CYS HB3 . 51942 2
235 . 1 . 1 34 34 CYS CA C 13 56.456 0.000 . 1 . . . . . 34 CYS CA . 51942 2
236 . 1 . 1 34 34 CYS CB C 13 36.943 0.000 . 1 . . . . . 34 CYS CB . 51942 2
237 . 1 . 1 35 35 CYS H H 1 9.423 0.002 . 1 . . . . . 35 CYS H . 51942 2
238 . 1 . 1 35 35 CYS HA H 1 5.325 0.004 . 1 . . . . . 35 CYS HA . 51942 2
239 . 1 . 1 35 35 CYS HB2 H 1 2.578 0.006 . 2 . . . . . 35 CYS HB2 . 51942 2
240 . 1 . 1 35 35 CYS HB3 H 1 3.195 0.006 . 2 . . . . . 35 CYS HB3 . 51942 2
241 . 1 . 1 35 35 CYS CA C 13 53.909 0.000 . 1 . . . . . 35 CYS CA . 51942 2
242 . 1 . 1 35 35 CYS CB C 13 45.887 0.012 . 1 . . . . . 35 CYS CB . 51942 2
243 . 1 . 1 36 36 ARG HA H 1 4.169 0.004 . 1 . . . . . 36 ARG HA . 51942 2
244 . 1 . 1 36 36 ARG HB2 H 1 1.723 0.003 . 2 . . . . . 36 ARG HB2 . 51942 2
245 . 1 . 1 36 36 ARG HB3 H 1 1.815 0.009 . 2 . . . . . 36 ARG HB3 . 51942 2
246 . 1 . 1 36 36 ARG HG2 H 1 1.724 0.007 . 2 . . . . . 36 ARG HG2 . 51942 2
247 . 1 . 1 36 36 ARG HG3 H 1 1.724 0.007 . 2 . . . . . 36 ARG HG3 . 51942 2
248 . 1 . 1 36 36 ARG HD2 H 1 3.220 0.004 . 2 . . . . . 36 ARG HD2 . 51942 2
249 . 1 . 1 36 36 ARG HD3 H 1 3.274 0.005 . 2 . . . . . 36 ARG HD3 . 51942 2
250 . 1 . 1 36 36 ARG CA C 13 58.034 0.000 . 1 . . . . . 36 ARG CA . 51942 2
251 . 1 . 1 36 36 ARG CB C 13 30.920 0.001 . 1 . . . . . 36 ARG CB . 51942 2
252 . 1 . 1 36 36 ARG CG C 13 27.660 0.016 . 1 . . . . . 36 ARG CG . 51942 2
253 . 1 . 1 36 36 ARG CD C 13 43.414 0.006 . 1 . . . . . 36 ARG CD . 51942 2
254 . 1 . 1 37 37 ARG HA H 1 4.230 0.004 . 1 . . . . . 37 ARG HA . 51942 2
255 . 1 . 1 37 37 ARG HB2 H 1 1.668 0.003 . 2 . . . . . 37 ARG HB2 . 51942 2
256 . 1 . 1 37 37 ARG HB3 H 1 1.668 0.003 . 2 . . . . . 37 ARG HB3 . 51942 2
257 . 1 . 1 37 37 ARG HG2 H 1 1.479 0.003 . 2 . . . . . 37 ARG HG2 . 51942 2
258 . 1 . 1 37 37 ARG HG3 H 1 1.479 0.003 . 2 . . . . . 37 ARG HG3 . 51942 2
259 . 1 . 1 37 37 ARG HD2 H 1 3.084 0.003 . 2 . . . . . 37 ARG HD2 . 51942 2
260 . 1 . 1 37 37 ARG HD3 H 1 3.084 0.003 . 2 . . . . . 37 ARG HD3 . 51942 2
261 . 1 . 1 37 37 ARG CA C 13 56.964 0.000 . 1 . . . . . 37 ARG CA . 51942 2
262 . 1 . 1 37 37 ARG CB C 13 30.940 0.000 . 1 . . . . . 37 ARG CB . 51942 2
263 . 1 . 1 37 37 ARG CG C 13 27.591 0.000 . 1 . . . . . 37 ARG CG . 51942 2
264 . 1 . 1 37 37 ARG CD C 13 43.436 0.000 . 1 . . . . . 37 ARG CD . 51942 2
265 . 1 . 1 38 38 SER HA H 1 4.390 0.000 . 1 . . . . . 38 SER HA . 51942 2
266 . 1 . 1 38 38 SER HB2 H 1 3.786 0.000 . 2 . . . . . 38 SER HB2 . 51942 2
267 . 1 . 1 38 38 SER HB3 H 1 3.827 0.000 . 2 . . . . . 38 SER HB3 . 51942 2
268 . 1 . 1 38 38 SER CA C 13 58.027 0.000 . 1 . . . . . 38 SER CA . 51942 2
269 . 1 . 1 38 38 SER CB C 13 63.665 0.019 . 1 . . . . . 38 SER CB . 51942 2
270 . 1 . 1 39 39 TYR HA H 1 4.523 0.003 . 1 . . . . . 39 TYR HA . 51942 2
271 . 1 . 1 39 39 TYR HB2 H 1 2.919 0.007 . 2 . . . . . 39 TYR HB2 . 51942 2
272 . 1 . 1 39 39 TYR HB3 H 1 3.090 0.002 . 2 . . . . . 39 TYR HB3 . 51942 2
273 . 1 . 1 39 39 TYR HD1 H 1 7.142 0.001 . 1 . . . . . 39 TYR HD1 . 51942 2
274 . 1 . 1 39 39 TYR HD2 H 1 7.142 0.001 . 1 . . . . . 39 TYR HD2 . 51942 2
275 . 1 . 1 39 39 TYR CA C 13 57.686 0.000 . 1 . . . . . 39 TYR CA . 51942 2
276 . 1 . 1 39 39 TYR CB C 13 39.025 0.017 . 1 . . . . . 39 TYR CB . 51942 2
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