Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50001
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method 'The given errors are due to the shift deviations in the different spectra listed below.'
_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-15N HSQC' . . . 50001 1
4 '2D 1H-1H TOCSY' . . . 50001 1
5 '2D 1H-1H NOESY' . . . 50001 1
10 '3D 1H-15N NOESY' . . . 50001 1
11 '3D 1H-15N TOCSY' . . . 50001 1
15 '3D CBCA(CO)NH' . . . 50001 1
16 '3D CBCANH' . . . 50001 1
17 '3D C(CO)NH' . . . 50001 1
18 '3D HBHA(CO)NH' . . . 50001 1
26 '3D HNCA' . . . 50001 1
27 '3D HNCO' . . . 50001 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
1 $software_1 . . 50001 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 2 2 LYS HA H 1 4.606 0.000 . 1 . 3 . . . 140 LYS HA . 50001 1
2 . 1 . 1 2 2 LYS HB2 H 1 1.698 0.001 . 2 . 4 . . . 140 LYS HB2 . 50001 1
3 . 1 . 1 2 2 LYS HB3 H 1 1.770 0.003 . 2 . 5 . . . 140 LYS HB3 . 50001 1
4 . 1 . 1 2 2 LYS HG3 H 1 1.420 0.000 . 2 . 1 . . . 140 LYS HG3 . 50001 1
5 . 1 . 1 3 3 PRO HA H 1 4.405 0.003 . 1 . 6 . . . 141 PRO HA . 50001 1
6 . 1 . 1 3 3 PRO HB3 H 1 2.305 0.002 . 2 . 6 . . . 141 PRO HB3 . 50001 1
7 . 1 . 1 3 3 PRO HG3 H 1 1.952 0.002 . 2 . 5 . . . 141 PRO HG3 . 50001 1
8 . 1 . 1 3 3 PRO HD2 H 1 3.496 0.003 . 2 . 17 . . . 141 PRO HD2 . 50001 1
9 . 1 . 1 3 3 PRO HD3 H 1 3.795 0.003 . 2 . 14 . . . 141 PRO HD3 . 50001 1
10 . 1 . 1 3 3 PRO C C 13 176.823 0.000 . 1 . 1 . . . 141 PRO C . 50001 1
11 . 1 . 1 3 3 PRO CA C 13 63.176 0.024 . 1 . 4 . . . 141 PRO CA . 50001 1
12 . 1 . 1 3 3 PRO CB C 13 32.205 0.019 . 1 . 3 . . . 141 PRO CB . 50001 1
13 . 1 . 1 3 3 PRO CG C 13 27.305 0.000 . 1 . 1 . . . 141 PRO CG . 50001 1
14 . 1 . 1 3 3 PRO CD C 13 50.708 0.000 . 1 . 1 . . . 141 PRO CD . 50001 1
15 . 1 . 1 4 4 ARG H H 1 8.515 0.008 . 1 . 34 . . . 142 ARG H . 50001 1
16 . 1 . 1 4 4 ARG HA H 1 4.276 0.011 . 1 . 8 . . . 142 ARG HA . 50001 1
17 . 1 . 1 4 4 ARG HB2 H 1 1.791 0.002 . 2 . 5 . . . 142 ARG HB2 . 50001 1
18 . 1 . 1 4 4 ARG HB3 H 1 1.842 0.007 . 2 . 9 . . . 142 ARG HB3 . 50001 1
19 . 1 . 1 4 4 ARG HG2 H 1 1.671 0.000 . 2 . 4 . . . 142 ARG HG2 . 50001 1
20 . 1 . 1 4 4 ARG HG3 H 1 1.717 0.001 . 2 . 3 . . . 142 ARG HG3 . 50001 1
21 . 1 . 1 4 4 ARG HD3 H 1 3.203 0.003 . 2 . 2 . . . 142 ARG HD3 . 50001 1
22 . 1 . 1 4 4 ARG C C 13 176.605 0.000 . 1 . 1 . . . 142 ARG C . 50001 1
23 . 1 . 1 4 4 ARG CA C 13 56.476 0.017 . 1 . 4 . . . 142 ARG CA . 50001 1
24 . 1 . 1 4 4 ARG CB C 13 30.856 0.013 . 1 . 3 . . . 142 ARG CB . 50001 1
25 . 1 . 1 4 4 ARG CG C 13 27.021 0.000 . 1 . 1 . . . 142 ARG CG . 50001 1
26 . 1 . 1 4 4 ARG CD C 13 43.335 0.000 . 1 . 1 . . . 142 ARG CD . 50001 1
27 . 1 . 1 4 4 ARG N N 15 119.384 0.030 . 1 . 20 . . . 142 ARG N . 50001 1
28 . 1 . 1 5 5 GLU H H 1 8.740 0.007 . 1 . 36 . . . 143 GLU H . 50001 1
29 . 1 . 1 5 5 GLU HA H 1 4.297 0.011 . 1 . 9 . . . 143 GLU HA . 50001 1
30 . 1 . 1 5 5 GLU HB2 H 1 2.003 0.004 . 2 . 6 . . . 143 GLU HB2 . 50001 1
31 . 1 . 1 5 5 GLU HB3 H 1 2.083 0.004 . 2 . 5 . . . 143 GLU HB3 . 50001 1
32 . 1 . 1 5 5 GLU HG2 H 1 2.283 0.002 . 2 . 2 . . . 143 GLU HG2 . 50001 1
33 . 1 . 1 5 5 GLU HG3 H 1 2.301 0.005 . 2 . 4 . . . 143 GLU HG3 . 50001 1
34 . 1 . 1 5 5 GLU C C 13 175.518 0.000 . 1 . 1 . . . 143 GLU C . 50001 1
35 . 1 . 1 5 5 GLU CA C 13 56.856 0.022 . 1 . 4 . . . 143 GLU CA . 50001 1
36 . 1 . 1 5 5 GLU CB C 13 30.195 0.005 . 1 . 2 . . . 143 GLU CB . 50001 1
37 . 1 . 1 5 5 GLU CG C 13 36.378 0.000 . 1 . 1 . . . 143 GLU CG . 50001 1
38 . 1 . 1 5 5 GLU N N 15 119.700 0.049 . 1 . 21 . . . 143 GLU N . 50001 1
39 . 1 . 1 6 6 TRP H H 1 8.365 0.007 . 1 . 40 . . . 144 TRP H . 50001 1
40 . 1 . 1 6 6 TRP HA H 1 4.553 0.004 . 1 . 11 . . . 144 TRP HA . 50001 1
41 . 1 . 1 6 6 TRP HB2 H 1 3.105 0.000 . 1 . 1 . . . 144 TRP HB2 . 50001 1
42 . 1 . 1 6 6 TRP HB3 H 1 3.105 0.008 . 1 . 12 . . . 144 TRP HB3 . 50001 1
43 . 1 . 1 6 6 TRP HD1 H 1 7.019 0.003 . 1 . 25 . . . 144 TRP HD1 . 50001 1
44 . 1 . 1 6 6 TRP HE1 H 1 10.090 0.005 . 1 . 25 . . . 144 TRP HE1 . 50001 1
45 . 1 . 1 6 6 TRP HE3 H 1 7.482 0.002 . 1 . 19 . . . 144 TRP HE3 . 50001 1
46 . 1 . 1 6 6 TRP HZ2 H 1 7.340 0.006 . 1 . 12 . . . 144 TRP HZ2 . 50001 1
47 . 1 . 1 6 6 TRP HZ3 H 1 7.050 0.001 . 1 . 17 . . . 144 TRP HZ3 . 50001 1
48 . 1 . 1 6 6 TRP HH2 H 1 7.167 0.004 . 1 . 11 . . . 144 TRP HH2 . 50001 1
49 . 1 . 1 6 6 TRP C C 13 175.291 0.000 . 1 . 1 . . . 144 TRP C . 50001 1
50 . 1 . 1 6 6 TRP CA C 13 57.317 0.044 . 1 . 5 . . . 144 TRP CA . 50001 1
51 . 1 . 1 6 6 TRP CB C 13 30.524 0.065 . 1 . 3 . . . 144 TRP CB . 50001 1
52 . 1 . 1 6 6 TRP N N 15 121.416 0.023 . 1 . 20 . . . 144 TRP N . 50001 1
53 . 1 . 1 6 6 TRP NE1 N 15 129.684 0.006 . 1 . 4 . . . 144 TRP NE1 . 50001 1
54 . 1 . 1 7 7 VAL H H 1 8.257 0.009 . 1 . 25 . . . 145 VAL H . 50001 1
55 . 1 . 1 7 7 VAL HA H 1 3.899 0.008 . 1 . 12 . . . 145 VAL HA . 50001 1
56 . 1 . 1 7 7 VAL HB H 1 1.687 0.005 . 1 . 16 . . . 145 VAL HB . 50001 1
57 . 1 . 1 7 7 VAL HG11 H 1 0.536 0.003 . 2 . 43 . . . 145 VAL HG11 . 50001 1
58 . 1 . 1 7 7 VAL HG12 H 1 0.536 0.003 . 2 . 43 . . . 145 VAL HG12 . 50001 1
59 . 1 . 1 7 7 VAL HG13 H 1 0.536 0.003 . 2 . 43 . . . 145 VAL HG13 . 50001 1
60 . 1 . 1 7 7 VAL HG21 H 1 0.361 0.003 . 2 . 34 . . . 145 VAL HG21 . 50001 1
61 . 1 . 1 7 7 VAL HG22 H 1 0.361 0.003 . 2 . 34 . . . 145 VAL HG22 . 50001 1
62 . 1 . 1 7 7 VAL HG23 H 1 0.361 0.003 . 2 . 34 . . . 145 VAL HG23 . 50001 1
63 . 1 . 1 7 7 VAL C C 13 173.843 0.000 . 1 . 1 . . . 145 VAL C . 50001 1
64 . 1 . 1 7 7 VAL CA C 13 61.570 0.014 . 1 . 5 . . . 145 VAL CA . 50001 1
65 . 1 . 1 7 7 VAL CB C 13 33.309 0.012 . 1 . 3 . . . 145 VAL CB . 50001 1
66 . 1 . 1 7 7 VAL CG1 C 13 20.209 0.000 . 1 . 1 . . . 145 VAL CG1 . 50001 1
67 . 1 . 1 7 7 VAL CG2 C 13 20.209 0.000 . 1 . 1 . . . 145 VAL CG2 . 50001 1
68 . 1 . 1 7 7 VAL N N 15 124.617 0.058 . 1 . 18 . . . 145 VAL N . 50001 1
69 . 1 . 1 8 8 GLU H H 1 8.239 0.007 . 1 . 43 . . . 146 GLU H . 50001 1
70 . 1 . 1 8 8 GLU HA H 1 4.379 0.009 . 1 . 15 . . . 146 GLU HA . 50001 1
71 . 1 . 1 8 8 GLU HB2 H 1 1.870 0.006 . 2 . 8 . . . 146 GLU HB2 . 50001 1
72 . 1 . 1 8 8 GLU HB3 H 1 1.983 0.007 . 2 . 8 . . . 146 GLU HB3 . 50001 1
73 . 1 . 1 8 8 GLU HG2 H 1 2.195 0.003 . 2 . 5 . . . 146 GLU HG2 . 50001 1
74 . 1 . 1 8 8 GLU HG3 H 1 2.217 0.004 . 2 . 7 . . . 146 GLU HG3 . 50001 1
75 . 1 . 1 8 8 GLU C C 13 174.469 0.000 . 1 . 1 . . . 146 GLU C . 50001 1
76 . 1 . 1 8 8 GLU CA C 13 55.709 0.007 . 1 . 5 . . . 146 GLU CA . 50001 1
77 . 1 . 1 8 8 GLU CB C 13 30.651 0.011 . 1 . 3 . . . 146 GLU CB . 50001 1
78 . 1 . 1 8 8 GLU CG C 13 36.350 0.000 . 1 . 1 . . . 146 GLU CG . 50001 1
79 . 1 . 1 8 8 GLU N N 15 122.496 0.024 . 1 . 22 . . . 146 GLU N . 50001 1
80 . 1 . 1 9 9 ALA H H 1 8.388 0.008 . 1 . 42 . . . 147 ALA H . 50001 1
81 . 1 . 1 9 9 ALA HA H 1 4.635 0.011 . 1 . 7 . . . 147 ALA HA . 50001 1
82 . 1 . 1 9 9 ALA HB1 H 1 1.444 0.004 . 1 . 18 . . . 147 ALA HB1 . 50001 1
83 . 1 . 1 9 9 ALA HB2 H 1 1.444 0.004 . 1 . 18 . . . 147 ALA HB2 . 50001 1
84 . 1 . 1 9 9 ALA HB3 H 1 1.444 0.004 . 1 . 18 . . . 147 ALA HB3 . 50001 1
85 . 1 . 1 9 9 ALA C C 13 177.416 0.000 . 1 . 1 . . . 147 ALA C . 50001 1
86 . 1 . 1 9 9 ALA CA C 13 50.967 0.010 . 1 . 5 . . . 147 ALA CA . 50001 1
87 . 1 . 1 9 9 ALA CB C 13 20.621 0.013 . 1 . 3 . . . 147 ALA CB . 50001 1
88 . 1 . 1 9 9 ALA N N 15 125.711 0.024 . 1 . 25 . . . 147 ALA N . 50001 1
89 . 1 . 1 10 10 VAL H H 1 8.279 0.008 . 1 . 31 . . . 148 VAL H . 50001 1
90 . 1 . 1 10 10 VAL HA H 1 3.788 0.008 . 1 . 11 . . . 148 VAL HA . 50001 1
91 . 1 . 1 10 10 VAL HB H 1 2.099 0.008 . 1 . 17 . . . 148 VAL HB . 50001 1
92 . 1 . 1 10 10 VAL HG11 H 1 1.006 0.004 . 2 . 15 . . . 148 VAL HG11 . 50001 1
93 . 1 . 1 10 10 VAL HG12 H 1 1.006 0.004 . 2 . 15 . . . 148 VAL HG12 . 50001 1
94 . 1 . 1 10 10 VAL HG13 H 1 1.006 0.004 . 2 . 15 . . . 148 VAL HG13 . 50001 1
95 . 1 . 1 10 10 VAL HG21 H 1 0.950 0.004 . 2 . 18 . . . 148 VAL HG21 . 50001 1
96 . 1 . 1 10 10 VAL HG22 H 1 0.950 0.004 . 2 . 18 . . . 148 VAL HG22 . 50001 1
97 . 1 . 1 10 10 VAL HG23 H 1 0.950 0.004 . 2 . 18 . . . 148 VAL HG23 . 50001 1
98 . 1 . 1 10 10 VAL C C 13 177.001 0.000 . 1 . 1 . . . 148 VAL C . 50001 1
99 . 1 . 1 10 10 VAL CA C 13 64.898 0.023 . 1 . 3 . . . 148 VAL CA . 50001 1
100 . 1 . 1 10 10 VAL CB C 13 31.896 0.016 . 1 . 2 . . . 148 VAL CB . 50001 1
101 . 1 . 1 10 10 VAL CG1 C 13 21.140 0.000 . 1 . 1 . . . 148 VAL CG1 . 50001 1
102 . 1 . 1 10 10 VAL CG2 C 13 21.140 0.000 . 1 . 1 . . . 148 VAL CG2 . 50001 1
103 . 1 . 1 10 10 VAL N N 15 120.171 0.044 . 1 . 19 . . . 148 VAL N . 50001 1
104 . 1 . 1 11 11 ALA H H 1 8.445 0.007 . 1 . 31 . . . 149 ALA H . 50001 1
105 . 1 . 1 11 11 ALA HA H 1 4.395 0.010 . 1 . 9 . . . 149 ALA HA . 50001 1
106 . 1 . 1 11 11 ALA HB1 H 1 1.444 0.006 . 1 . 11 . . . 149 ALA HB1 . 50001 1
107 . 1 . 1 11 11 ALA HB2 H 1 1.444 0.006 . 1 . 11 . . . 149 ALA HB2 . 50001 1
108 . 1 . 1 11 11 ALA HB3 H 1 1.444 0.006 . 1 . 11 . . . 149 ALA HB3 . 50001 1
109 . 1 . 1 11 11 ALA C C 13 176.993 0.000 . 1 . 1 . . . 149 ALA C . 50001 1
110 . 1 . 1 11 11 ALA CA C 13 52.084 0.029 . 1 . 5 . . . 149 ALA CA . 50001 1
111 . 1 . 1 11 11 ALA CB C 13 19.927 0.009 . 1 . 3 . . . 149 ALA CB . 50001 1
112 . 1 . 1 11 11 ALA N N 15 122.615 0.025 . 1 . 18 . . . 149 ALA N . 50001 1
113 . 1 . 1 12 12 TYR H H 1 7.360 0.009 . 1 . 26 . . . 150 TYR H . 50001 1
114 . 1 . 1 12 12 TYR HA H 1 4.318 0.013 . 1 . 12 . . . 150 TYR HA . 50001 1
115 . 1 . 1 12 12 TYR HB2 H 1 2.994 0.006 . 1 . 19 . . . 150 TYR HB2 . 50001 1
116 . 1 . 1 12 12 TYR HB3 H 1 2.994 0.466 . 1 . 6 . . . 150 TYR HB3 . 50001 1
117 . 1 . 1 12 12 TYR HD1 H 1 6.434 0.004 . 3 . 12 . . . 150 TYR HD1 . 50001 1
118 . 1 . 1 12 12 TYR HD2 H 1 6.434 0.004 . 3 . 12 . . . 150 TYR HD2 . 50001 1
119 . 1 . 1 12 12 TYR HE1 H 1 6.186 0.003 . 3 . 21 . . . 150 TYR HE1 . 50001 1
120 . 1 . 1 12 12 TYR HE2 H 1 6.186 0.003 . 3 . 21 . . . 150 TYR HE2 . 50001 1
121 . 1 . 1 12 12 TYR C C 13 172.200 0.000 . 1 . 1 . . . 150 TYR C . 50001 1
122 . 1 . 1 12 12 TYR CA C 13 59.243 0.006 . 1 . 3 . . . 150 TYR CA . 50001 1
123 . 1 . 1 12 12 TYR CB C 13 40.779 0.018 . 1 . 3 . . . 150 TYR CB . 50001 1
124 . 1 . 1 12 12 TYR N N 15 119.588 0.031 . 1 . 19 . . . 150 TYR N . 50001 1
125 . 1 . 1 13 13 VAL H H 1 7.206 0.009 . 1 . 26 . . . 151 VAL H . 50001 1
126 . 1 . 1 13 13 VAL HA H 1 4.201 0.004 . 1 . 15 . . . 151 VAL HA . 50001 1
127 . 1 . 1 13 13 VAL HB H 1 1.741 0.003 . 1 . 12 . . . 151 VAL HB . 50001 1
128 . 1 . 1 13 13 VAL HG11 H 1 0.830 0.003 . 2 . 25 . . . 151 VAL HG11 . 50001 1
129 . 1 . 1 13 13 VAL HG12 H 1 0.830 0.003 . 2 . 25 . . . 151 VAL HG12 . 50001 1
130 . 1 . 1 13 13 VAL HG13 H 1 0.830 0.003 . 2 . 25 . . . 151 VAL HG13 . 50001 1
131 . 1 . 1 13 13 VAL HG21 H 1 0.796 0.005 . 2 . 21 . . . 151 VAL HG21 . 50001 1
132 . 1 . 1 13 13 VAL HG22 H 1 0.796 0.005 . 2 . 21 . . . 151 VAL HG22 . 50001 1
133 . 1 . 1 13 13 VAL HG23 H 1 0.796 0.005 . 2 . 21 . . . 151 VAL HG23 . 50001 1
134 . 1 . 1 13 13 VAL CA C 13 59.677 0.075 . 1 . 3 . . . 151 VAL CA . 50001 1
135 . 1 . 1 13 13 VAL CB C 13 33.650 0.052 . 1 . 2 . . . 151 VAL CB . 50001 1
136 . 1 . 1 13 13 VAL CG1 C 13 20.810 0.000 . 1 . 1 . . . 151 VAL CG1 . 50001 1
137 . 1 . 1 13 13 VAL CG2 C 13 20.810 0.000 . 1 . 1 . . . 151 VAL CG2 . 50001 1
138 . 1 . 1 13 13 VAL N N 15 125.997 0.020 . 1 . 17 . . . 151 VAL N . 50001 1
139 . 1 . 1 14 14 GLY H H 1 7.123 0.003 . 1 . 6 . . . 152 GLY H . 50001 1
140 . 1 . 1 14 14 GLY HA3 H 1 3.447 0.005 . 2 . 12 . . . 152 GLY HA3 . 50001 1
141 . 1 . 1 14 14 GLY N N 15 113.227 0.035 . 1 . 6 . . . 152 GLY N . 50001 1
142 . 1 . 1 15 15 PRO HA H 1 4.299 0.009 . 1 . 13 . . . 153 PRO HA . 50001 1
143 . 1 . 1 15 15 PRO HB2 H 1 1.737 0.006 . 2 . 6 . . . 153 PRO HB2 . 50001 1
144 . 1 . 1 15 15 PRO HB3 H 1 2.245 0.006 . 2 . 10 . . . 153 PRO HB3 . 50001 1
145 . 1 . 1 15 15 PRO HG2 H 1 1.942 0.003 . 2 . 6 . . . 153 PRO HG2 . 50001 1
146 . 1 . 1 15 15 PRO HG3 H 1 1.984 0.007 . 2 . 8 . . . 153 PRO HG3 . 50001 1
147 . 1 . 1 15 15 PRO HD2 H 1 3.214 0.001 . 2 . 10 . . . 153 PRO HD2 . 50001 1
148 . 1 . 1 15 15 PRO HD3 H 1 3.310 0.001 . 2 . 16 . . . 153 PRO HD3 . 50001 1
149 . 1 . 1 15 15 PRO C C 13 177.658 0.000 . 1 . 1 . . . 153 PRO C . 50001 1
150 . 1 . 1 15 15 PRO CA C 13 62.189 0.014 . 1 . 3 . . . 153 PRO CA . 50001 1
151 . 1 . 1 15 15 PRO CB C 13 32.179 0.011 . 1 . 2 . . . 153 PRO CB . 50001 1
152 . 1 . 1 15 15 PRO CG C 13 27.204 0.000 . 1 . 1 . . . 153 PRO CG . 50001 1
153 . 1 . 1 15 15 PRO CD C 13 49.250 0.000 . 1 . 1 . . . 153 PRO CD . 50001 1
154 . 1 . 1 16 16 ASP H H 1 8.626 0.008 . 1 . 40 . . . 154 ASP H . 50001 1
155 . 1 . 1 16 16 ASP HA H 1 4.057 0.009 . 1 . 18 . . . 154 ASP HA . 50001 1
156 . 1 . 1 16 16 ASP HB2 H 1 2.740 0.008 . 1 . 8 . . . 154 ASP HB2 . 50001 1
157 . 1 . 1 16 16 ASP HB3 H 1 2.880 0.006 . 1 . 11 . . . 154 ASP HB3 . 50001 1
158 . 1 . 1 16 16 ASP C C 13 177.149 0.000 . 1 . 1 . . . 154 ASP C . 50001 1
159 . 1 . 1 16 16 ASP CA C 13 55.955 0.015 . 1 . 5 . . . 154 ASP CA . 50001 1
160 . 1 . 1 16 16 ASP CB C 13 40.784 0.008 . 1 . 3 . . . 154 ASP CB . 50001 1
161 . 1 . 1 16 16 ASP N N 15 121.935 0.021 . 1 . 19 . . . 154 ASP N . 50001 1
162 . 1 . 1 17 17 ARG H H 1 8.762 0.010 . 1 . 49 . . . 155 ARG H . 50001 1
163 . 1 . 1 17 17 ARG HA H 1 4.006 0.009 . 1 . 12 . . . 155 ARG HA . 50001 1
164 . 1 . 1 17 17 ARG HB2 H 1 1.280 0.005 . 2 . 14 . . . 155 ARG HB2 . 50001 1
165 . 1 . 1 17 17 ARG HB3 H 1 2.008 0.005 . 2 . 14 . . . 155 ARG HB3 . 50001 1
166 . 1 . 1 17 17 ARG HG2 H 1 1.526 0.005 . 1 . 18 . . . 155 ARG HG2 . 50001 1
167 . 1 . 1 17 17 ARG HG3 H 1 1.526 0.005 . 1 . 18 . . . 155 ARG HG3 . 50001 1
168 . 1 . 1 17 17 ARG HD2 H 1 2.589 0.001 . 2 . 15 . . . 155 ARG HD2 . 50001 1
169 . 1 . 1 17 17 ARG HD3 H 1 2.654 0.004 . 2 . 17 . . . 155 ARG HD3 . 50001 1
170 . 1 . 1 17 17 ARG HE H 1 5.648 0.007 . 1 . 34 . . . 155 ARG HE . 50001 1
171 . 1 . 1 17 17 ARG HH21 H 1 6.376 0.005 . 1 . 32 . . . 155 ARG HH21 . 50001 1
172 . 1 . 1 17 17 ARG C C 13 176.611 0.000 . 1 . 1 . . . 155 ARG C . 50001 1
173 . 1 . 1 17 17 ARG CA C 13 57.048 0.011 . 1 . 3 . . . 155 ARG CA . 50001 1
174 . 1 . 1 17 17 ARG CB C 13 31.446 0.016 . 1 . 3 . . . 155 ARG CB . 50001 1
175 . 1 . 1 17 17 ARG CG C 13 26.505 0.000 . 1 . 1 . . . 155 ARG CG . 50001 1
176 . 1 . 1 17 17 ARG CD C 13 44.397 0.000 . 1 . 1 . . . 155 ARG CD . 50001 1
177 . 1 . 1 17 17 ARG N N 15 130.107 0.034 . 1 . 20 . . . 155 ARG N . 50001 1
178 . 1 . 1 17 17 ARG NE N 15 79.463 0.011 . 1 . 12 . . . 155 ARG NE . 50001 1
179 . 1 . 1 17 17 ARG NH2 N 15 72.039 0.014 . 1 . 9 . . . 155 ARG NH2 . 50001 1
180 . 1 . 1 18 18 ARG H H 1 8.279 0.008 . 1 . 55 . . . 156 ARG H . 50001 1
181 . 1 . 1 18 18 ARG HA H 1 4.393 0.009 . 1 . 12 . . . 156 ARG HA . 50001 1
182 . 1 . 1 18 18 ARG HB2 H 1 1.702 0.004 . 2 . 11 . . . 156 ARG HB2 . 50001 1
183 . 1 . 1 18 18 ARG HB3 H 1 2.082 0.007 . 2 . 14 . . . 156 ARG HB3 . 50001 1
184 . 1 . 1 18 18 ARG HG2 H 1 1.550 0.005 . 2 . 15 . . . 156 ARG HG2 . 50001 1
185 . 1 . 1 18 18 ARG HG3 H 1 1.897 0.004 . 2 . 12 . . . 156 ARG HG3 . 50001 1
186 . 1 . 1 18 18 ARG HD2 H 1 2.938 0.009 . 2 . 24 . . . 156 ARG HD2 . 50001 1
187 . 1 . 1 18 18 ARG HD3 H 1 3.043 0.005 . 2 . 15 . . . 156 ARG HD3 . 50001 1
188 . 1 . 1 18 18 ARG HE H 1 8.816 0.006 . 1 . 56 . . . 156 ARG HE . 50001 1
189 . 1 . 1 18 18 ARG HH12 H 1 6.506 0.006 . 2 . 35 . . . 156 ARG HH12 . 50001 1
190 . 1 . 1 18 18 ARG HH21 H 1 7.702 0.003 . 1 . 31 . . . 156 ARG HH21 . 50001 1
191 . 1 . 1 18 18 ARG HH22 H 1 8.037 0.003 . 1 . 39 . . . 156 ARG HH22 . 50001 1
192 . 1 . 1 18 18 ARG C C 13 176.616 0.000 . 1 . 1 . . . 156 ARG C . 50001 1
193 . 1 . 1 18 18 ARG CA C 13 57.155 0.020 . 1 . 5 . . . 156 ARG CA . 50001 1
194 . 1 . 1 18 18 ARG CB C 13 29.693 0.015 . 1 . 3 . . . 156 ARG CB . 50001 1
195 . 1 . 1 18 18 ARG CG C 13 28.115 0.000 . 1 . 1 . . . 156 ARG CG . 50001 1
196 . 1 . 1 18 18 ARG CD C 13 44.323 0.000 . 1 . 1 . . . 156 ARG CD . 50001 1
197 . 1 . 1 18 18 ARG N N 15 118.154 0.019 . 1 . 24 . . . 156 ARG N . 50001 1
198 . 1 . 1 18 18 ARG NE N 15 85.962 0.015 . 1 . 22 . . . 156 ARG NE . 50001 1
199 . 1 . 1 18 18 ARG NH1 N 15 69.769 0.012 . 1 . 16 . . . 156 ARG NH1 . 50001 1
200 . 1 . 1 18 18 ARG NH2 N 15 74.457 0.019 . 1 . 26 . . . 156 ARG NH2 . 50001 1
201 . 1 . 1 19 19 ARG H H 1 9.817 0.010 . 1 . 52 . . . 157 ARG H . 50001 1
202 . 1 . 1 19 19 ARG HA H 1 4.416 0.013 . 1 . 8 . . . 157 ARG HA . 50001 1
203 . 1 . 1 19 19 ARG HB2 H 1 1.646 0.005 . 2 . 9 . . . 157 ARG HB2 . 50001 1
204 . 1 . 1 19 19 ARG HB3 H 1 1.737 0.005 . 2 . 9 . . . 157 ARG HB3 . 50001 1
205 . 1 . 1 19 19 ARG HG2 H 1 1.508 0.006 . 1 . 9 . . . 157 ARG HG2 . 50001 1
206 . 1 . 1 19 19 ARG HG3 H 1 1.508 0.006 . 1 . 9 . . . 157 ARG HG3 . 50001 1
207 . 1 . 1 19 19 ARG HD2 H 1 3.143 0.009 . 1 . 4 . . . 157 ARG HD2 . 50001 1
208 . 1 . 1 19 19 ARG HD3 H 1 3.143 0.009 . 1 . 4 . . . 157 ARG HD3 . 50001 1
209 . 1 . 1 19 19 ARG C C 13 176.113 0.000 . 1 . 1 . . . 157 ARG C . 50001 1
210 . 1 . 1 19 19 ARG CA C 13 55.797 0.012 . 1 . 6 . . . 157 ARG CA . 50001 1
211 . 1 . 1 19 19 ARG CB C 13 32.682 0.009 . 1 . 3 . . . 157 ARG CB . 50001 1
212 . 1 . 1 19 19 ARG CG C 13 26.422 0.000 . 1 . 1 . . . 157 ARG CG . 50001 1
213 . 1 . 1 19 19 ARG CD C 13 43.137 0.000 . 1 . 1 . . . 157 ARG CD . 50001 1
214 . 1 . 1 19 19 ARG N N 15 125.718 0.025 . 1 . 24 . . . 157 ARG N . 50001 1
215 . 1 . 1 20 20 PHE H H 1 8.822 0.012 . 1 . 39 . . . 158 PHE H . 50001 1
216 . 1 . 1 20 20 PHE HA H 1 4.713 0.010 . 1 . 8 . . . 158 PHE HA . 50001 1
217 . 1 . 1 20 20 PHE HB2 H 1 3.093 0.008 . 2 . 11 . . . 158 PHE HB2 . 50001 1
218 . 1 . 1 20 20 PHE HB3 H 1 3.150 0.005 . 2 . 7 . . . 158 PHE HB3 . 50001 1
219 . 1 . 1 20 20 PHE HD1 H 1 7.287 0.004 . 3 . 23 . . . 158 PHE HD1 . 50001 1
220 . 1 . 1 20 20 PHE HD2 H 1 7.287 0.004 . 3 . 23 . . . 158 PHE HD2 . 50001 1
221 . 1 . 1 20 20 PHE HE1 H 1 7.379 0.004 . 3 . 12 . . . 158 PHE HE1 . 50001 1
222 . 1 . 1 20 20 PHE HE2 H 1 7.379 0.004 . 3 . 12 . . . 158 PHE HE2 . 50001 1
223 . 1 . 1 20 20 PHE HZ H 1 7.329 0.000 . 1 . 1 . . . 158 PHE HZ . 50001 1
224 . 1 . 1 20 20 PHE C C 13 174.598 0.000 . 1 . 1 . . . 158 PHE C . 50001 1
225 . 1 . 1 20 20 PHE CA C 13 57.658 0.018 . 1 . 5 . . . 158 PHE CA . 50001 1
226 . 1 . 1 20 20 PHE CB C 13 40.420 0.009 . 1 . 3 . . . 158 PHE CB . 50001 1
227 . 1 . 1 20 20 PHE N N 15 121.640 0.022 . 1 . 24 . . . 158 PHE N . 50001 1
228 . 1 . 1 21 21 ASN H H 1 8.454 0.010 . 1 . 27 . . . 159 ASN H . 50001 1
229 . 1 . 1 21 21 ASN HA H 1 4.763 0.007 . 1 . 8 . . . 159 ASN HA . 50001 1
230 . 1 . 1 21 21 ASN HB2 H 1 2.717 0.009 . 1 . 11 . . . 159 ASN HB2 . 50001 1
231 . 1 . 1 21 21 ASN HB3 H 1 2.717 0.009 . 1 . 11 . . . 159 ASN HB3 . 50001 1
232 . 1 . 1 21 21 ASN HD21 H 1 7.603 0.008 . 1 . 10 . . . 159 ASN HD21 . 50001 1
233 . 1 . 1 21 21 ASN HD22 H 1 6.916 0.005 . 1 . 11 . . . 159 ASN HD22 . 50001 1
234 . 1 . 1 21 21 ASN C C 13 174.480 0.000 . 1 . 1 . . . 159 ASN C . 50001 1
235 . 1 . 1 21 21 ASN CA C 13 52.853 0.008 . 1 . 6 . . . 159 ASN CA . 50001 1
236 . 1 . 1 21 21 ASN CB C 13 39.396 0.013 . 1 . 4 . . . 159 ASN CB . 50001 1
237 . 1 . 1 21 21 ASN N N 15 123.446 0.027 . 1 . 18 . . . 159 ASN N . 50001 1
238 . 1 . 1 21 21 ASN ND2 N 15 113.444 0.086 . 1 . 10 . . . 159 ASN ND2 . 50001 1
239 . 1 . 1 22 22 SER H H 1 8.430 0.008 . 1 . 26 . . . 160 SER H . 50001 1
240 . 1 . 1 22 22 SER HA H 1 4.478 0.008 . 1 . 14 . . . 160 SER HA . 50001 1
241 . 1 . 1 22 22 SER HB2 H 1 3.904 0.008 . 2 . 16 . . . 160 SER HB2 . 50001 1
242 . 1 . 1 22 22 SER HB3 H 1 4.009 0.008 . 2 . 17 . . . 160 SER HB3 . 50001 1
243 . 1 . 1 22 22 SER C C 13 175.484 0.000 . 1 . 1 . . . 160 SER C . 50001 1
244 . 1 . 1 22 22 SER CA C 13 57.874 0.012 . 1 . 5 . . . 160 SER CA . 50001 1
245 . 1 . 1 22 22 SER CB C 13 64.253 0.010 . 1 . 3 . . . 160 SER CB . 50001 1
246 . 1 . 1 22 22 SER N N 15 118.415 0.029 . 1 . 18 . . . 160 SER N . 50001 1
247 . 1 . 1 23 23 ALA H H 1 8.678 0.009 . 1 . 30 . . . 161 ALA H . 50001 1
248 . 1 . 1 23 23 ALA HA H 1 4.271 0.010 . 1 . 13 . . . 161 ALA HA . 50001 1
249 . 1 . 1 23 23 ALA HB1 H 1 1.430 0.004 . 1 . 14 . . . 161 ALA HB1 . 50001 1
250 . 1 . 1 23 23 ALA HB2 H 1 1.430 0.004 . 1 . 14 . . . 161 ALA HB2 . 50001 1
251 . 1 . 1 23 23 ALA HB3 H 1 1.430 0.004 . 1 . 14 . . . 161 ALA HB3 . 50001 1
252 . 1 . 1 23 23 ALA C C 13 177.842 0.000 . 1 . 1 . . . 161 ALA C . 50001 1
253 . 1 . 1 23 23 ALA CA C 13 53.866 0.006 . 1 . 3 . . . 161 ALA CA . 50001 1
254 . 1 . 1 23 23 ALA CB C 13 18.868 0.010 . 1 . 3 . . . 161 ALA CB . 50001 1
255 . 1 . 1 23 23 ALA N N 15 128.706 0.027 . 1 . 18 . . . 161 ALA N . 50001 1
256 . 1 . 1 24 24 ASP H H 1 8.223 0.008 . 1 . 36 . . . 162 ASP H . 50001 1
257 . 1 . 1 24 24 ASP HA H 1 4.597 0.011 . 1 . 6 . . . 162 ASP HA . 50001 1
258 . 1 . 1 24 24 ASP HB2 H 1 2.541 0.009 . 2 . 6 . . . 162 ASP HB2 . 50001 1
259 . 1 . 1 24 24 ASP HB3 H 1 2.696 0.009 . 2 . 5 . . . 162 ASP HB3 . 50001 1
260 . 1 . 1 24 24 ASP C C 13 175.498 0.000 . 1 . 1 . . . 162 ASP C . 50001 1
261 . 1 . 1 24 24 ASP CA C 13 53.837 0.020 . 1 . 7 . . . 162 ASP CA . 50001 1
262 . 1 . 1 24 24 ASP CB C 13 40.916 0.045 . 1 . 5 . . . 162 ASP CB . 50001 1
263 . 1 . 1 24 24 ASP N N 15 116.677 0.018 . 1 . 20 . . . 162 ASP N . 50001 1
264 . 1 . 1 25 25 TYR H H 1 7.539 0.008 . 1 . 51 . . . 163 TYR H . 50001 1
265 . 1 . 1 25 25 TYR HA H 1 4.362 0.010 . 1 . 14 . . . 163 TYR HA . 50001 1
266 . 1 . 1 25 25 TYR HB2 H 1 2.727 0.005 . 2 . 18 . . . 163 TYR HB2 . 50001 1
267 . 1 . 1 25 25 TYR HB3 H 1 3.211 0.008 . 2 . 11 . . . 163 TYR HB3 . 50001 1
268 . 1 . 1 25 25 TYR HD1 H 1 6.758 0.004 . 3 . 34 . . . 163 TYR HD1 . 50001 1
269 . 1 . 1 25 25 TYR HD2 H 1 6.758 0.004 . 3 . 34 . . . 163 TYR HD2 . 50001 1
270 . 1 . 1 25 25 TYR HE1 H 1 6.103 0.002 . 3 . 35 . . . 163 TYR HE1 . 50001 1
271 . 1 . 1 25 25 TYR HE2 H 1 6.103 0.002 . 3 . 35 . . . 163 TYR HE2 . 50001 1
272 . 1 . 1 25 25 TYR C C 13 176.435 0.000 . 1 . 1 . . . 163 TYR C . 50001 1
273 . 1 . 1 25 25 TYR CA C 13 58.902 0.010 . 1 . 5 . . . 163 TYR CA . 50001 1
274 . 1 . 1 25 25 TYR CB C 13 38.802 0.010 . 1 . 3 . . . 163 TYR CB . 50001 1
275 . 1 . 1 25 25 TYR N N 15 121.445 0.028 . 1 . 24 . . . 163 TYR N . 50001 1
276 . 1 . 1 26 26 LYS H H 1 8.425 0.008 . 1 . 32 . . . 164 LYS H . 50001 1
277 . 1 . 1 26 26 LYS HA H 1 4.267 0.006 . 1 . 6 . . . 164 LYS HA . 50001 1
278 . 1 . 1 26 26 LYS HB3 H 1 1.397 0.005 . 2 . 4 . . . 164 LYS HB3 . 50001 1
279 . 1 . 1 26 26 LYS HG2 H 1 1.267 0.005 . 2 . 5 . . . 164 LYS HG2 . 50001 1
280 . 1 . 1 26 26 LYS HG3 H 1 1.343 0.002 . 2 . 2 . . . 164 LYS HG3 . 50001 1
281 . 1 . 1 26 26 LYS HD3 H 1 1.828 0.003 . 2 . 3 . . . 164 LYS HD3 . 50001 1
282 . 1 . 1 26 26 LYS HE3 H 1 3.090 0.000 . 2 . 1 . . . 164 LYS HE3 . 50001 1
283 . 1 . 1 26 26 LYS CA C 13 54.923 0.000 . 1 . 2 . . . 164 LYS CA . 50001 1
284 . 1 . 1 26 26 LYS CB C 13 32.939 0.000 . 1 . 1 . . . 164 LYS CB . 50001 1
285 . 1 . 1 26 26 LYS N N 15 128.359 0.024 . 1 . 17 . . . 164 LYS N . 50001 1
286 . 1 . 1 27 27 GLY HA2 H 1 3.254 0.001 . 2 . 6 . . . 165 GLY HA2 . 50001 1
287 . 1 . 1 27 27 GLY HA3 H 1 3.918 0.004 . 2 . 8 . . . 165 GLY HA3 . 50001 1
288 . 1 . 1 28 28 PRO HA H 1 4.173 0.009 . 1 . 20 . . . 166 PRO HA . 50001 1
289 . 1 . 1 28 28 PRO HB2 H 1 1.612 0.005 . 2 . 12 . . . 166 PRO HB2 . 50001 1
290 . 1 . 1 28 28 PRO HB3 H 1 2.161 0.006 . 2 . 11 . . . 166 PRO HB3 . 50001 1
291 . 1 . 1 28 28 PRO HG2 H 1 1.881 0.003 . 2 . 5 . . . 166 PRO HG2 . 50001 1
292 . 1 . 1 28 28 PRO HG3 H 1 1.933 0.005 . 2 . 7 . . . 166 PRO HG3 . 50001 1
293 . 1 . 1 28 28 PRO HD2 H 1 3.376 0.003 . 2 . 13 . . . 166 PRO HD2 . 50001 1
294 . 1 . 1 28 28 PRO HD3 H 1 3.416 0.002 . 2 . 13 . . . 166 PRO HD3 . 50001 1
295 . 1 . 1 28 28 PRO C C 13 177.409 0.000 . 1 . 1 . . . 166 PRO C . 50001 1
296 . 1 . 1 28 28 PRO CA C 13 62.933 0.010 . 1 . 3 . . . 166 PRO CA . 50001 1
297 . 1 . 1 28 28 PRO CB C 13 31.748 0.019 . 1 . 2 . . . 166 PRO CB . 50001 1
298 . 1 . 1 28 28 PRO CG C 13 27.490 0.000 . 1 . 1 . . . 166 PRO CG . 50001 1
299 . 1 . 1 28 28 PRO CD C 13 49.316 0.000 . 1 . 1 . . . 166 PRO CD . 50001 1
300 . 1 . 1 29 29 ARG H H 1 8.772 0.009 . 1 . 37 . . . 167 ARG H . 50001 1
301 . 1 . 1 29 29 ARG HA H 1 4.216 0.008 . 1 . 21 . . . 167 ARG HA . 50001 1
302 . 1 . 1 29 29 ARG HB2 H 1 1.796 0.006 . 2 . 15 . . . 167 ARG HB2 . 50001 1
303 . 1 . 1 29 29 ARG HB3 H 1 1.856 0.006 . 2 . 13 . . . 167 ARG HB3 . 50001 1
304 . 1 . 1 29 29 ARG HG2 H 1 1.471 0.003 . 1 . 9 . . . 167 ARG HG2 . 50001 1
305 . 1 . 1 29 29 ARG HG3 H 1 1.471 0.003 . 1 . 9 . . . 167 ARG HG3 . 50001 1
306 . 1 . 1 29 29 ARG HD2 H 1 3.124 0.002 . 2 . 8 . . . 167 ARG HD2 . 50001 1
307 . 1 . 1 29 29 ARG HD3 H 1 3.208 0.008 . 2 . 5 . . . 167 ARG HD3 . 50001 1
308 . 1 . 1 29 29 ARG HE H 1 7.370 0.006 . 1 . 9 . . . 167 ARG HE . 50001 1
309 . 1 . 1 29 29 ARG C C 13 176.744 0.000 . 1 . 1 . . . 167 ARG C . 50001 1
310 . 1 . 1 29 29 ARG CA C 13 56.791 0.024 . 1 . 4 . . . 167 ARG CA . 50001 1
311 . 1 . 1 29 29 ARG CB C 13 29.334 0.020 . 1 . 3 . . . 167 ARG CB . 50001 1
312 . 1 . 1 29 29 ARG CG C 13 28.046 0.000 . 1 . 1 . . . 167 ARG CG . 50001 1
313 . 1 . 1 29 29 ARG CD C 13 43.442 0.000 . 1 . 1 . . . 167 ARG CD . 50001 1
314 . 1 . 1 29 29 ARG N N 15 127.463 0.031 . 1 . 20 . . . 167 ARG N . 50001 1
315 . 1 . 1 29 29 ARG NE N 15 85.401 0.039 . 1 . 7 . . . 167 ARG NE . 50001 1
316 . 1 . 1 30 30 LYS H H 1 9.223 0.008 . 1 . 54 . . . 168 LYS H . 50001 1
317 . 1 . 1 30 30 LYS HA H 1 4.292 0.012 . 1 . 7 . . . 168 LYS HA . 50001 1
318 . 1 . 1 30 30 LYS HB2 H 1 1.347 0.005 . 2 . 16 . . . 168 LYS HB2 . 50001 1
319 . 1 . 1 30 30 LYS HB3 H 1 1.946 0.006 . 2 . 7 . . . 168 LYS HB3 . 50001 1
320 . 1 . 1 30 30 LYS HG3 H 1 1.164 0.007 . 2 . 20 . . . 168 LYS HG3 . 50001 1
321 . 1 . 1 30 30 LYS HD2 H 1 1.476 0.005 . 2 . 6 . . . 168 LYS HD2 . 50001 1
322 . 1 . 1 30 30 LYS HD3 H 1 1.700 0.005 . 2 . 7 . . . 168 LYS HD3 . 50001 1
323 . 1 . 1 30 30 LYS HE2 H 1 2.253 0.002 . 2 . 11 . . . 168 LYS HE2 . 50001 1
324 . 1 . 1 30 30 LYS HE3 H 1 2.555 0.003 . 2 . 11 . . . 168 LYS HE3 . 50001 1
325 . 1 . 1 30 30 LYS C C 13 177.139 0.000 . 1 . 1 . . . 168 LYS C . 50001 1
326 . 1 . 1 30 30 LYS CA C 13 56.386 0.053 . 1 . 4 . . . 168 LYS CA . 50001 1
327 . 1 . 1 30 30 LYS CB C 13 33.103 0.007 . 1 . 3 . . . 168 LYS CB . 50001 1
328 . 1 . 1 30 30 LYS CG C 13 22.034 0.000 . 1 . 1 . . . 168 LYS CG . 50001 1
329 . 1 . 1 30 30 LYS CD C 13 27.984 0.000 . 1 . 1 . . . 168 LYS CD . 50001 1
330 . 1 . 1 30 30 LYS CE C 13 38.912 0.000 . 1 . 1 . . . 168 LYS CE . 50001 1
331 . 1 . 1 30 30 LYS N N 15 125.168 0.027 . 1 . 21 . . . 168 LYS N . 50001 1
332 . 1 . 1 31 31 ARG H H 1 8.463 0.008 . 1 . 58 . . . 169 ARG H . 50001 1
333 . 1 . 1 31 31 ARG HA H 1 4.555 0.008 . 1 . 16 . . . 169 ARG HA . 50001 1
334 . 1 . 1 31 31 ARG HB2 H 1 1.637 0.004 . 2 . 15 . . . 169 ARG HB2 . 50001 1
335 . 1 . 1 31 31 ARG HB3 H 1 2.170 0.005 . 2 . 17 . . . 169 ARG HB3 . 50001 1
336 . 1 . 1 31 31 ARG HG2 H 1 1.703 0.003 . 2 . 18 . . . 169 ARG HG2 . 50001 1
337 . 1 . 1 31 31 ARG HG3 H 1 1.927 0.004 . 2 . 17 . . . 169 ARG HG3 . 50001 1
338 . 1 . 1 31 31 ARG HD2 H 1 2.799 0.008 . 2 . 35 . . . 169 ARG HD2 . 50001 1
339 . 1 . 1 31 31 ARG HD3 H 1 2.897 0.007 . 2 . 31 . . . 169 ARG HD3 . 50001 1
340 . 1 . 1 31 31 ARG HE H 1 8.858 0.004 . 1 . 45 . . . 169 ARG HE . 50001 1
341 . 1 . 1 31 31 ARG HH21 H 1 7.488 0.004 . 1 . 27 . . . 169 ARG HH21 . 50001 1
342 . 1 . 1 31 31 ARG HH22 H 1 7.394 0.002 . 1 . 27 . . . 169 ARG HH22 . 50001 1
343 . 1 . 1 31 31 ARG C C 13 180.044 0.000 . 1 . 1 . . . 169 ARG C . 50001 1
344 . 1 . 1 31 31 ARG CA C 13 56.032 0.020 . 1 . 5 . . . 169 ARG CA . 50001 1
345 . 1 . 1 31 31 ARG CB C 13 31.045 0.010 . 1 . 3 . . . 169 ARG CB . 50001 1
346 . 1 . 1 31 31 ARG CG C 13 27.311 0.000 . 1 . 1 . . . 169 ARG CG . 50001 1
347 . 1 . 1 31 31 ARG CD C 13 44.217 0.000 . 1 . 1 . . . 169 ARG CD . 50001 1
348 . 1 . 1 31 31 ARG N N 15 117.915 0.024 . 1 . 26 . . . 169 ARG N . 50001 1
349 . 1 . 1 31 31 ARG NE N 15 85.019 0.007 . 1 . 18 . . . 169 ARG NE . 50001 1
350 . 1 . 1 31 31 ARG NH2 N 15 72.759 0.011 . 1 . 25 . . . 169 ARG NH2 . 50001 1
351 . 1 . 1 32 32 LYS H H 1 10.003 0.010 . 1 . 47 . . . 170 LYS H . 50001 1
352 . 1 . 1 32 32 LYS HA H 1 4.094 0.008 . 1 . 17 . . . 170 LYS HA . 50001 1
353 . 1 . 1 32 32 LYS HB2 H 1 1.875 0.009 . 2 . 9 . . . 170 LYS HB2 . 50001 1
354 . 1 . 1 32 32 LYS HB3 H 1 1.968 0.004 . 2 . 8 . . . 170 LYS HB3 . 50001 1
355 . 1 . 1 32 32 LYS HG2 H 1 1.548 0.007 . 2 . 8 . . . 170 LYS HG2 . 50001 1
356 . 1 . 1 32 32 LYS HG3 H 1 1.595 0.003 . 2 . 7 . . . 170 LYS HG3 . 50001 1
357 . 1 . 1 32 32 LYS HD3 H 1 1.770 0.001 . 2 . 4 . . . 170 LYS HD3 . 50001 1
358 . 1 . 1 32 32 LYS HE3 H 1 3.064 0.002 . 2 . 2 . . . 170 LYS HE3 . 50001 1
359 . 1 . 1 32 32 LYS C C 13 179.528 0.000 . 1 . 1 . . . 170 LYS C . 50001 1
360 . 1 . 1 32 32 LYS CA C 13 59.978 0.006 . 1 . 5 . . . 170 LYS CA . 50001 1
361 . 1 . 1 32 32 LYS CB C 13 31.660 0.024 . 1 . 3 . . . 170 LYS CB . 50001 1
362 . 1 . 1 32 32 LYS CG C 13 24.516 0.000 . 1 . 1 . . . 170 LYS CG . 50001 1
363 . 1 . 1 32 32 LYS CD C 13 28.908 0.000 . 1 . 1 . . . 170 LYS CD . 50001 1
364 . 1 . 1 32 32 LYS CE C 13 41.861 0.000 . 1 . 1 . . . 170 LYS CE . 50001 1
365 . 1 . 1 32 32 LYS N N 15 129.486 0.036 . 1 . 18 . . . 170 LYS N . 50001 1
366 . 1 . 1 33 33 ALA H H 1 8.331 0.009 . 1 . 37 . . . 171 ALA H . 50001 1
367 . 1 . 1 33 33 ALA HA H 1 4.248 0.010 . 1 . 10 . . . 171 ALA HA . 50001 1
368 . 1 . 1 33 33 ALA HB1 H 1 1.389 0.004 . 1 . 13 . . . 171 ALA HB1 . 50001 1
369 . 1 . 1 33 33 ALA HB2 H 1 1.389 0.004 . 1 . 13 . . . 171 ALA HB2 . 50001 1
370 . 1 . 1 33 33 ALA HB3 H 1 1.389 0.004 . 1 . 13 . . . 171 ALA HB3 . 50001 1
371 . 1 . 1 33 33 ALA C C 13 178.230 0.000 . 1 . 1 . . . 171 ALA C . 50001 1
372 . 1 . 1 33 33 ALA CA C 13 53.333 0.014 . 1 . 5 . . . 171 ALA CA . 50001 1
373 . 1 . 1 33 33 ALA CB C 13 18.941 0.008 . 1 . 4 . . . 171 ALA CB . 50001 1
374 . 1 . 1 33 33 ALA N N 15 118.112 0.030 . 1 . 17 . . . 171 ALA N . 50001 1
375 . 1 . 1 34 34 ASP H H 1 7.673 0.011 . 1 . 40 . . . 172 ASP H . 50001 1
376 . 1 . 1 34 34 ASP HA H 1 4.574 0.013 . 1 . 6 . . . 172 ASP HA . 50001 1
377 . 1 . 1 34 34 ASP HB2 H 1 2.986 0.007 . 1 . 14 . . . 172 ASP HB2 . 50001 1
378 . 1 . 1 34 34 ASP HB3 H 1 2.727 0.007 . 1 . 13 . . . 172 ASP HB3 . 50001 1
379 . 1 . 1 34 34 ASP C C 13 176.206 0.000 . 1 . 1 . . . 172 ASP C . 50001 1
380 . 1 . 1 34 34 ASP CA C 13 55.757 0.010 . 1 . 5 . . . 172 ASP CA . 50001 1
381 . 1 . 1 34 34 ASP CB C 13 41.848 0.010 . 1 . 3 . . . 172 ASP CB . 50001 1
382 . 1 . 1 34 34 ASP N N 15 116.593 0.026 . 1 . 16 . . . 172 ASP N . 50001 1
383 . 1 . 1 35 35 ALA H H 1 7.624 0.010 . 1 . 32 . . . 173 ALA H . 50001 1
384 . 1 . 1 35 35 ALA HA H 1 4.423 0.011 . 1 . 9 . . . 173 ALA HA . 50001 1
385 . 1 . 1 35 35 ALA HB1 H 1 1.457 0.007 . 1 . 9 . . . 173 ALA HB1 . 50001 1
386 . 1 . 1 35 35 ALA HB2 H 1 1.457 0.007 . 1 . 9 . . . 173 ALA HB2 . 50001 1
387 . 1 . 1 35 35 ALA HB3 H 1 1.457 0.007 . 1 . 9 . . . 173 ALA HB3 . 50001 1
388 . 1 . 1 35 35 ALA C C 13 176.629 0.000 . 1 . 1 . . . 173 ALA C . 50001 1
389 . 1 . 1 35 35 ALA CA C 13 52.508 0.021 . 1 . 7 . . . 173 ALA CA . 50001 1
390 . 1 . 1 35 35 ALA CB C 13 19.480 0.036 . 1 . 5 . . . 173 ALA CB . 50001 1
391 . 1 . 1 35 35 ALA N N 15 123.546 0.024 . 1 . 15 . . . 173 ALA N . 50001 1
392 . 1 . 1 36 36 SER H H 1 7.829 0.009 . 1 . 26 . . . 174 SER H . 50001 1
393 . 1 . 1 36 36 SER HA H 1 4.271 0.007 . 1 . 5 . . . 174 SER HA . 50001 1
394 . 1 . 1 36 36 SER HB2 H 1 3.850 0.004 . 1 . 4 . . . 174 SER HB2 . 50001 1
395 . 1 . 1 36 36 SER HB3 H 1 3.850 0.004 . 1 . 4 . . . 174 SER HB3 . 50001 1
396 . 1 . 1 36 36 SER CA C 13 60.135 0.008 . 1 . 2 . . . 174 SER CA . 50001 1
397 . 1 . 1 36 36 SER CB C 13 65.054 0.000 . 1 . 1 . . . 174 SER CB . 50001 1
398 . 1 . 1 36 36 SER N N 15 121.078 0.054 . 1 . 14 . . . 174 SER N . 50001 1
399 . 2 . 2 1 1 C2E H1' H 1 5.704 0.001 . 1 . 16 . . . 501 C2E H1' . 50001 1
400 . 2 . 2 1 1 C2E H1A H 1 5.545 0.002 . 1 . 30 . . . 501 C2E H1A . 50001 1
401 . 2 . 2 1 1 C2E H2' H 1 4.887 0.004 . 1 . 14 . . . 501 C2E H2' . 50001 1
402 . 2 . 2 1 1 C2E H2A H 1 4.473 0.003 . 1 . 6 . . . 501 C2E H2A . 50001 1
403 . 2 . 2 1 1 C2E H3A H 1 4.788 0.003 . 1 . 11 . . . 501 C2E H3A . 50001 1
404 . 2 . 2 1 1 C2E H4' H 1 4.489 0.005 . 1 . 5 . . . 501 C2E H4' . 50001 1
405 . 2 . 2 1 1 C2E H4A H 1 4.364 0.004 . 1 . 11 . . . 501 C2E H4A . 50001 1
406 . 2 . 2 1 1 C2E H5'1 H 1 4.126 0.002 . 2 . 8 . . . 501 C2E H5'1 . 50001 1
407 . 2 . 2 1 1 C2E H5'2 H 1 4.487 0.000 . 2 . 1 . . . 501 C2E H5'2 . 50001 1
408 . 2 . 2 1 1 C2E H8 H 1 7.658 0.001 . 1 . 23 . . . 501 C2E H8 . 50001 1
409 . 2 . 2 1 1 C2E H81 H 1 7.579 0.003 . 1 . 46 . . . 501 C2E H81 . 50001 1
410 . 2 . 2 1 1 C2E H511 H 1 4.095 0.002 . 2 . 10 . . . 501 C2E H511 . 50001 1
411 . 2 . 2 1 1 C2E H512 H 1 4.672 0.002 . 2 . 6 . . . 501 C2E H512 . 50001 1
412 . 2 . 2 1 1 C2E HN1 H 1 11.771 0.002 . 1 . 32 . . . 501 C2E HN1 . 50001 1
413 . 2 . 2 1 1 C2E HN11 H 1 11.636 0.001 . 1 . 19 . . . 501 C2E HN11 . 50001 1
414 . 2 . 2 1 1 C2E HN21 H 1 6.263 0.005 . 2 . 38 . . . 501 C2E HN21 . 50001 1
415 . 2 . 2 1 1 C2E HN23 H 1 6.000 0.003 . 2 . 12 . . . 501 C2E HN23 . 50001 1
416 . 3 . 2 1 1 C2E H1' H 1 5.252 0.002 . 1 . 26 . . . 502 C2E H1' . 50001 1
417 . 3 . 2 1 1 C2E H1A H 1 4.880 0.007 . 1 . 8 . . . 502 C2E H1A . 50001 1
418 . 3 . 2 1 1 C2E H2' H 1 4.473 0.003 . 1 . 10 . . . 502 C2E H2' . 50001 1
419 . 3 . 2 1 1 C2E H2A H 1 5.918 0.003 . 1 . 16 . . . 502 C2E H2A . 50001 1
420 . 3 . 2 1 1 C2E H3' H 1 4.863 0.006 . 1 . 13 . . . 502 C2E H3' . 50001 1
421 . 3 . 2 1 1 C2E H3A H 1 4.590 0.006 . 1 . 15 . . . 502 C2E H3A . 50001 1
422 . 3 . 2 1 1 C2E H4' H 1 4.303 0.004 . 1 . 11 . . . 502 C2E H4' . 50001 1
423 . 3 . 2 1 1 C2E H4A H 1 4.354 0.023 . 1 . 8 . . . 502 C2E H4A . 50001 1
424 . 3 . 2 1 1 C2E H5'1 H 1 3.994 0.004 . 2 . 16 . . . 502 C2E H5'1 . 50001 1
425 . 3 . 2 1 1 C2E H5'2 H 1 4.667 0.002 . 2 . 6 . . . 502 C2E H5'2 . 50001 1
426 . 3 . 2 1 1 C2E H8 H 1 7.353 0.003 . 1 . 39 . . . 502 C2E H8 . 50001 1
427 . 3 . 2 1 1 C2E H81 H 1 7.450 0.003 . 1 . 26 . . . 502 C2E H81 . 50001 1
428 . 3 . 2 1 1 C2E H511 H 1 4.074 0.002 . 2 . 6 . . . 502 C2E H511 . 50001 1
429 . 3 . 2 1 1 C2E H512 H 1 4.422 0.002 . 2 . 4 . . . 502 C2E H512 . 50001 1
430 . 3 . 2 1 1 C2E HN1 H 1 11.148 0.001 . 1 . 17 . . . 502 C2E HN1 . 50001 1
431 . 3 . 2 1 1 C2E HN11 H 1 13.211 0.001 . 1 . 41 . . . 502 C2E HN11 . 50001 1
432 . 3 . 2 1 1 C2E HN21 H 1 5.853 0.004 . 2 . 19 . . . 502 C2E HN21 . 50001 1
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