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 50962
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name chemicalshift_deposition_BMRB
_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
1 '3D CBCACONH' . . . 50962 1
2 '3D CBCANH' . . . 50962 1
3 '3D HNCO' . . . 50962 1
4 '3D HN(CO)CA' . . . 50962 1
5 '3D HBHA(CO)NH' . . . 50962 1
6 '3D H(CCO)NH' . . . 50962 1
7 '3D HCCH-COSY' . . . 50962 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 . . 50962 1
2 $software_2 . . 50962 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 1 1 ALA C C 13 172.253 1.354 . 1 . . . . . 1 ALA C . 50962 1
2 . 1 . 1 1 1 ALA CA C 13 51.676 0.017 . 1 . . . . . 1 ALA CA . 50962 1
3 . 1 . 1 1 1 ALA CB C 13 19.416 0.025 . 1 . . . . . 1 ALA CB . 50962 1
4 . 1 . 1 2 2 VAL H H 1 8.346 0.029 . 1 . . . . . 2 VAL H . 50962 1
5 . 1 . 1 2 2 VAL HA H 1 4.048 0.003 . 1 . . . . . 2 VAL HA . 50962 1
6 . 1 . 1 2 2 VAL HB H 1 1.924 0.003 . 1 . . . . . 2 VAL HB . 50962 1
7 . 1 . 1 2 2 VAL HG11 H 1 0.823 0.004 . 2 . . . . . 2 VAL HG11 . 50962 1
8 . 1 . 1 2 2 VAL HG12 H 1 0.823 0.004 . 2 . . . . . 2 VAL HG12 . 50962 1
9 . 1 . 1 2 2 VAL HG13 H 1 0.823 0.004 . 2 . . . . . 2 VAL HG13 . 50962 1
10 . 1 . 1 2 2 VAL HG21 H 1 0.834 0.007 . 2 . . . . . 2 VAL HG21 . 50962 1
11 . 1 . 1 2 2 VAL HG22 H 1 0.834 0.007 . 2 . . . . . 2 VAL HG22 . 50962 1
12 . 1 . 1 2 2 VAL HG23 H 1 0.834 0.007 . 2 . . . . . 2 VAL HG23 . 50962 1
13 . 1 . 1 2 2 VAL C C 13 174.199 1.360 . 1 . . . . . 2 VAL C . 50962 1
14 . 1 . 1 2 2 VAL CA C 13 62.302 0.033 . 1 . . . . . 2 VAL CA . 50962 1
15 . 1 . 1 2 2 VAL CB C 13 32.794 0.001 . 1 . . . . . 2 VAL CB . 50962 1
16 . 1 . 1 2 2 VAL N N 15 119.496 0.026 . 1 . . . . . 2 VAL N . 50962 1
17 . 1 . 1 3 3 TRP H H 1 8.323 0.024 . 1 . . . . . 3 TRP H . 50962 1
18 . 1 . 1 3 3 TRP HA H 1 4.612 0.003 . 1 . . . . . 3 TRP HA . 50962 1
19 . 1 . 1 3 3 TRP HB2 H 1 3.143 0.019 . 2 . . . . . 3 TRP HB2 . 50962 1
20 . 1 . 1 3 3 TRP HB3 H 1 3.177 0.003 . 2 . . . . . 3 TRP HB3 . 50962 1
21 . 1 . 1 3 3 TRP C C 13 174.415 1.363 . 1 . . . . . 3 TRP C . 50962 1
22 . 1 . 1 3 3 TRP CA C 13 57.030 0.040 . 1 . . . . . 3 TRP CA . 50962 1
23 . 1 . 1 3 3 TRP CB C 13 29.722 0.011 . 1 . . . . . 3 TRP CB . 50962 1
24 . 1 . 1 3 3 TRP N N 15 126.071 0.039 . 1 . . . . . 3 TRP N . 50962 1
25 . 1 . 1 4 4 LYS H H 1 8.066 0.030 . 1 . . . . . 4 LYS H . 50962 1
26 . 1 . 1 4 4 LYS HA H 1 4.140 0.000 . 1 . . . . . 4 LYS HA . 50962 1
27 . 1 . 1 4 4 LYS HB2 H 1 1.529 0.000 . 2 . . . . . 4 LYS HB2 . 50962 1
28 . 1 . 1 4 4 LYS HB3 H 1 1.647 0.000 . 2 . . . . . 4 LYS HB3 . 50962 1
29 . 1 . 1 4 4 LYS HG2 H 1 1.217 0.000 . 1 . . . . . 4 LYS HG2 . 50962 1
30 . 1 . 1 4 4 LYS HG3 H 1 1.217 0.000 . 1 . . . . . 4 LYS HG3 . 50962 1
31 . 1 . 1 4 4 LYS HD2 H 1 1.529 0.000 . 1 . . . . . 4 LYS HD2 . 50962 1
32 . 1 . 1 4 4 LYS HD3 H 1 1.647 0.000 . 1 . . . . . 4 LYS HD3 . 50962 1
33 . 1 . 1 4 4 LYS C C 13 174.400 1.366 . 1 . . . . . 4 LYS C . 50962 1
34 . 1 . 1 4 4 LYS CA C 13 55.918 0.032 . 1 . . . . . 4 LYS CA . 50962 1
35 . 1 . 1 4 4 LYS CB C 13 33.351 0.010 . 1 . . . . . 4 LYS CB . 50962 1
36 . 1 . 1 4 4 LYS N N 15 124.300 0.039 . 1 . . . . . 4 LYS N . 50962 1
37 . 1 . 1 5 5 ARG H H 1 8.059 0.027 . 1 . . . . . 5 ARG H . 50962 1
38 . 1 . 1 5 5 ARG HA H 1 4.046 0.000 . 1 . . . . . 5 ARG HA . 50962 1
39 . 1 . 1 5 5 ARG HB2 H 1 1.601 0.000 . 2 . . . . . 5 ARG HB2 . 50962 1
40 . 1 . 1 5 5 ARG HB3 H 1 1.684 0.000 . 2 . . . . . 5 ARG HB3 . 50962 1
41 . 1 . 1 5 5 ARG HG2 H 1 1.483 0.000 . 1 . . . . . 5 ARG HG2 . 50962 1
42 . 1 . 1 5 5 ARG HG3 H 1 1.483 0.000 . 1 . . . . . 5 ARG HG3 . 50962 1
43 . 1 . 1 5 5 ARG HD2 H 1 3.064 0.000 . 1 . . . . . 5 ARG HD2 . 50962 1
44 . 1 . 1 5 5 ARG HD3 H 1 3.064 0.000 . 1 . . . . . 5 ARG HD3 . 50962 1
45 . 1 . 1 5 5 ARG C C 13 173.824 1.360 . 1 . . . . . 5 ARG C . 50962 1
46 . 1 . 1 5 5 ARG CA C 13 56.099 0.020 . 1 . . . . . 5 ARG CA . 50962 1
47 . 1 . 1 5 5 ARG CB C 13 30.682 0.019 . 1 . . . . . 5 ARG CB . 50962 1
48 . 1 . 1 5 5 ARG N N 15 122.249 0.027 . 1 . . . . . 5 ARG N . 50962 1
49 . 1 . 1 6 6 ASP H H 1 8.262 0.023 . 1 . . . . . 6 ASP H . 50962 1
50 . 1 . 1 6 6 ASP HA H 1 4.599 0.000 . 1 . . . . . 6 ASP HA . 50962 1
51 . 1 . 1 6 6 ASP HB2 H 1 2.694 0.000 . 2 . . . . . 6 ASP HB2 . 50962 1
52 . 1 . 1 6 6 ASP HB3 H 1 2.773 0.000 . 2 . . . . . 6 ASP HB3 . 50962 1
53 . 1 . 1 6 6 ASP C C 13 174.446 1.357 . 1 . . . . . 6 ASP C . 50962 1
54 . 1 . 1 6 6 ASP CA C 13 54.084 0.002 . 1 . . . . . 6 ASP CA . 50962 1
55 . 1 . 1 6 6 ASP CB C 13 41.299 0.001 . 1 . . . . . 6 ASP CB . 50962 1
56 . 1 . 1 6 6 ASP N N 15 121.661 0.041 . 1 . . . . . 6 ASP N . 50962 1
57 . 1 . 1 7 7 ARG H H 1 8.273 0.035 . 1 . . . . . 7 ARG H . 50962 1
58 . 1 . 1 7 7 ARG HA H 1 4.206 0.000 . 1 . . . . . 7 ARG HA . 50962 1
59 . 1 . 1 7 7 ARG HB2 H 1 1.668 0.000 . 2 . . . . . 7 ARG HB2 . 50962 1
60 . 1 . 1 7 7 ARG HB3 H 1 1.798 0.000 . 2 . . . . . 7 ARG HB3 . 50962 1
61 . 1 . 1 7 7 ARG HG2 H 1 1.530 0.000 . 1 . . . . . 7 ARG HG2 . 50962 1
62 . 1 . 1 7 7 ARG HG3 H 1 1.530 0.000 . 1 . . . . . 7 ARG HG3 . 50962 1
63 . 1 . 1 7 7 ARG HD2 H 1 3.084 0.000 . 1 . . . . . 7 ARG HD2 . 50962 1
64 . 1 . 1 7 7 ARG HD3 H 1 3.084 0.000 . 1 . . . . . 7 ARG HD3 . 50962 1
65 . 1 . 1 7 7 ARG C C 13 175.102 1.376 . 1 . . . . . 7 ARG C . 50962 1
66 . 1 . 1 7 7 ARG CA C 13 56.201 0.004 . 1 . . . . . 7 ARG CA . 50962 1
67 . 1 . 1 7 7 ARG CB C 13 30.626 0.000 . 1 . . . . . 7 ARG CB . 50962 1
68 . 1 . 1 7 7 ARG N N 15 121.733 0.064 . 1 . . . . . 7 ARG N . 50962 1
69 . 1 . 1 8 8 LYS H H 1 8.290 0.026 . 1 . . . . . 8 LYS H . 50962 1
70 . 1 . 1 8 8 LYS HA H 1 4.188 0.000 . 1 . . . . . 8 LYS HA . 50962 1
71 . 1 . 1 8 8 LYS HB2 H 1 1.596 0.000 . 2 . . . . . 8 LYS HB2 . 50962 1
72 . 1 . 1 8 8 LYS HB3 H 1 1.715 0.000 . 2 . . . . . 8 LYS HB3 . 50962 1
73 . 1 . 1 8 8 LYS HG2 H 1 1.338 0.000 . 1 . . . . . 8 LYS HG2 . 50962 1
74 . 1 . 1 8 8 LYS HG3 H 1 1.338 0.000 . 1 . . . . . 8 LYS HG3 . 50962 1
75 . 1 . 1 8 8 LYS HD2 H 1 1.475 0.000 . 1 . . . . . 8 LYS HD2 . 50962 1
76 . 1 . 1 8 8 LYS HD3 H 1 1.475 0.000 . 1 . . . . . 8 LYS HD3 . 50962 1
77 . 1 . 1 8 8 LYS HE2 H 1 3.062 0.000 . 1 . . . . . 8 LYS HE2 . 50962 1
78 . 1 . 1 8 8 LYS HE3 H 1 3.062 0.000 . 1 . . . . . 8 LYS HE3 . 50962 1
79 . 1 . 1 8 8 LYS C C 13 175.278 1.360 . 1 . . . . . 8 LYS C . 50962 1
80 . 1 . 1 8 8 LYS CA C 13 56.460 0.007 . 1 . . . . . 8 LYS CA . 50962 1
81 . 1 . 1 8 8 LYS CB C 13 32.690 0.007 . 1 . . . . . 8 LYS CB . 50962 1
82 . 1 . 1 8 8 LYS N N 15 121.851 0.035 . 1 . . . . . 8 LYS N . 50962 1
83 . 1 . 1 9 9 GLN H H 1 8.259 0.025 . 1 . . . . . 9 GLN H . 50962 1
84 . 1 . 1 9 9 GLN HA H 1 4.237 0.000 . 1 . . . . . 9 GLN HA . 50962 1
85 . 1 . 1 9 9 GLN HB2 H 1 1.886 0.000 . 2 . . . . . 9 GLN HB2 . 50962 1
86 . 1 . 1 9 9 GLN HB3 H 1 1.999 0.000 . 2 . . . . . 9 GLN HB3 . 50962 1
87 . 1 . 1 9 9 GLN HG2 H 1 2.281 0.000 . 1 . . . . . 9 GLN HG2 . 50962 1
88 . 1 . 1 9 9 GLN HG3 H 1 2.281 0.000 . 1 . . . . . 9 GLN HG3 . 50962 1
89 . 1 . 1 9 9 GLN C C 13 174.530 1.355 . 1 . . . . . 9 GLN C . 50962 1
90 . 1 . 1 9 9 GLN CA C 13 55.753 0.047 . 1 . . . . . 9 GLN CA . 50962 1
91 . 1 . 1 9 9 GLN CB C 13 29.562 0.038 . 1 . . . . . 9 GLN CB . 50962 1
92 . 1 . 1 9 9 GLN N N 15 121.332 0.038 . 1 . . . . . 9 GLN N . 50962 1
93 . 1 . 1 10 10 ARG H H 1 8.370 0.027 . 1 . . . . . 10 ARG H . 50962 1
94 . 1 . 1 10 10 ARG HA H 1 4.243 0.000 . 1 . . . . . 10 ARG HA . 50962 1
95 . 1 . 1 10 10 ARG HB2 H 1 1.685 0.000 . 2 . . . . . 10 ARG HB2 . 50962 1
96 . 1 . 1 10 10 ARG HB3 H 1 1.749 0.000 . 2 . . . . . 10 ARG HB3 . 50962 1
97 . 1 . 1 10 10 ARG HG2 H 1 1.544 0.000 . 1 . . . . . 10 ARG HG2 . 50962 1
98 . 1 . 1 10 10 ARG HG3 H 1 1.544 0.000 . 1 . . . . . 10 ARG HG3 . 50962 1
99 . 1 . 1 10 10 ARG HD2 H 1 3.122 0.000 . 1 . . . . . 10 ARG HD2 . 50962 1
100 . 1 . 1 10 10 ARG HD3 H 1 3.122 0.000 . 1 . . . . . 10 ARG HD3 . 50962 1
101 . 1 . 1 10 10 ARG C C 13 175.253 1.288 . 1 . . . . . 10 ARG C . 50962 1
102 . 1 . 1 10 10 ARG CA C 13 55.977 0.011 . 1 . . . . . 10 ARG CA . 50962 1
103 . 1 . 1 10 10 ARG CB C 13 30.824 0.010 . 1 . . . . . 10 ARG CB . 50962 1
104 . 1 . 1 10 10 ARG N N 15 123.196 0.072 . 1 . . . . . 10 ARG N . 50962 1
105 . 1 . 1 11 11 ARG H H 1 8.362 0.031 . 1 . . . . . 11 ARG H . 50962 1
106 . 1 . 1 11 11 ARG HA H 1 4.254 0.000 . 1 . . . . . 11 ARG HA . 50962 1
107 . 1 . 1 11 11 ARG HB2 H 1 1.678 0.000 . 2 . . . . . 11 ARG HB2 . 50962 1
108 . 1 . 1 11 11 ARG HB3 H 1 1.743 0.000 . 2 . . . . . 11 ARG HB3 . 50962 1
109 . 1 . 1 11 11 ARG HG2 H 1 1.551 0.000 . 1 . . . . . 11 ARG HG2 . 50962 1
110 . 1 . 1 11 11 ARG HG3 H 1 1.551 0.000 . 1 . . . . . 11 ARG HG3 . 50962 1
111 . 1 . 1 11 11 ARG HD2 H 1 3.113 0.000 . 1 . . . . . 11 ARG HD2 . 50962 1
112 . 1 . 1 11 11 ARG HD3 H 1 3.113 0.000 . 1 . . . . . 11 ARG HD3 . 50962 1
113 . 1 . 1 11 11 ARG C C 13 174.734 1.391 . 1 . . . . . 11 ARG C . 50962 1
114 . 1 . 1 11 11 ARG CA C 13 56.021 0.022 . 1 . . . . . 11 ARG CA . 50962 1
115 . 1 . 1 11 11 ARG CB C 13 30.799 0.031 . 1 . . . . . 11 ARG CB . 50962 1
116 . 1 . 1 11 11 ARG N N 15 122.795 0.066 . 1 . . . . . 11 ARG N . 50962 1
117 . 1 . 1 12 12 GLN H H 1 8.421 0.026 . 1 . . . . . 12 GLN H . 50962 1
118 . 1 . 1 12 12 GLN HA H 1 4.261 0.000 . 1 . . . . . 12 GLN HA . 50962 1
119 . 1 . 1 12 12 GLN HB2 H 1 1.869 0.000 . 2 . . . . . 12 GLN HB2 . 50962 1
120 . 1 . 1 12 12 GLN HB3 H 1 1.969 0.000 . 2 . . . . . 12 GLN HB3 . 50962 1
121 . 1 . 1 12 12 GLN HG2 H 1 2.275 0.000 . 1 . . . . . 12 GLN HG2 . 50962 1
122 . 1 . 1 12 12 GLN HG3 H 1 2.275 0.000 . 1 . . . . . 12 GLN HG3 . 50962 1
123 . 1 . 1 12 12 GLN C C 13 174.295 1.367 . 1 . . . . . 12 GLN C . 50962 1
124 . 1 . 1 12 12 GLN CA C 13 55.605 0.039 . 1 . . . . . 12 GLN CA . 50962 1
125 . 1 . 1 12 12 GLN CB C 13 29.745 0.018 . 1 . . . . . 12 GLN CB . 50962 1
126 . 1 . 1 12 12 GLN N N 15 122.478 0.037 . 1 . . . . . 12 GLN N . 50962 1
127 . 1 . 1 13 13 ARG H H 1 8.460 0.028 . 1 . . . . . 13 ARG H . 50962 1
128 . 1 . 1 13 13 ARG C C 13 171.512 0.000 . 1 . . . . . 13 ARG C . 50962 1
129 . 1 . 1 13 13 ARG CA C 13 54.047 0.000 . 1 . . . . . 13 ARG CA . 50962 1
130 . 1 . 1 13 13 ARG CB C 13 30.026 0.000 . 1 . . . . . 13 ARG CB . 50962 1
131 . 1 . 1 13 13 ARG N N 15 124.085 0.031 . 1 . . . . . 13 ARG N . 50962 1
132 . 1 . 1 14 14 PRO HA H 1 4.349 0.000 . 1 . . . . . 14 PRO HA . 50962 1
133 . 1 . 1 14 14 PRO HB2 H 1 1.883 0.000 . 2 . . . . . 14 PRO HB2 . 50962 1
134 . 1 . 1 14 14 PRO HB3 H 1 2.239 0.000 . 2 . . . . . 14 PRO HB3 . 50962 1
135 . 1 . 1 14 14 PRO HG2 H 1 1.980 0.000 . 1 . . . . . 14 PRO HG2 . 50962 1
136 . 1 . 1 14 14 PRO HG3 H 1 1.980 0.000 . 1 . . . . . 14 PRO HG3 . 50962 1
137 . 1 . 1 14 14 PRO HD2 H 1 3.644 0.000 . 2 . . . . . 14 PRO HD2 . 50962 1
138 . 1 . 1 14 14 PRO HD3 H 1 3.740 0.000 . 2 . . . . . 14 PRO HD3 . 50962 1
139 . 1 . 1 14 14 PRO C C 13 176.152 1.367 . 1 . . . . . 14 PRO C . 50962 1
140 . 1 . 1 14 14 PRO CA C 13 63.465 0.053 . 1 . . . . . 14 PRO CA . 50962 1
141 . 1 . 1 14 14 PRO CB C 13 32.090 0.000 . 1 . . . . . 14 PRO CB . 50962 1
142 . 1 . 1 14 14 PRO N N 15 137.146 0.000 . 1 . . . . . 14 PRO N . 50962 1
143 . 1 . 1 15 15 GLY H H 1 8.364 0.028 . 1 . . . . . 15 GLY H . 50962 1
144 . 1 . 1 15 15 GLY HA2 H 1 3.864 0.000 . 1 . . . . . 15 GLY HA2 . 50962 1
145 . 1 . 1 15 15 GLY HA3 H 1 3.864 0.000 . 1 . . . . . 15 GLY HA3 . 50962 1
146 . 1 . 1 15 15 GLY C C 13 172.404 1.358 . 1 . . . . . 15 GLY C . 50962 1
147 . 1 . 1 15 15 GLY CA C 13 45.249 0.017 . 1 . . . . . 15 GLY CA . 50962 1
148 . 1 . 1 15 15 GLY N N 15 108.867 0.029 . 1 . . . . . 15 GLY N . 50962 1
149 . 1 . 1 16 16 HIS H H 1 8.305 0.036 . 1 . . . . . 16 HIS H . 50962 1
150 . 1 . 1 16 16 HIS HA H 1 4.677 0.000 . 1 . . . . . 16 HIS HA . 50962 1
151 . 1 . 1 16 16 HIS HB2 H 1 3.053 0.000 . 2 . . . . . 16 HIS HB2 . 50962 1
152 . 1 . 1 16 16 HIS HB3 H 1 3.134 0.000 . 2 . . . . . 16 HIS HB3 . 50962 1
153 . 1 . 1 16 16 HIS C C 13 173.149 1.365 . 1 . . . . . 16 HIS C . 50962 1
154 . 1 . 1 16 16 HIS CA C 13 55.304 0.018 . 1 . . . . . 16 HIS CA . 50962 1
155 . 1 . 1 16 16 HIS CB C 13 29.735 0.000 . 1 . . . . . 16 HIS CB . 50962 1
156 . 1 . 1 16 16 HIS N N 15 118.313 0.045 . 1 . . . . . 16 HIS N . 50962 1
157 . 1 . 1 17 17 THR H H 1 8.275 0.025 . 1 . . . . . 17 THR H . 50962 1
158 . 1 . 1 17 17 THR C C 13 170.146 0.000 . 1 . . . . . 17 THR C . 50962 1
159 . 1 . 1 17 17 THR CA C 13 59.834 0.071 . 1 . . . . . 17 THR CA . 50962 1
160 . 1 . 1 17 17 THR CB C 13 69.627 0.000 . 1 . . . . . 17 THR CB . 50962 1
161 . 1 . 1 17 17 THR N N 15 118.665 0.093 . 1 . . . . . 17 THR N . 50962 1
162 . 1 . 1 18 18 PRO HA H 1 4.349 0.000 . 1 . . . . . 18 PRO HA . 50962 1
163 . 1 . 1 18 18 PRO HB2 H 1 1.844 0.000 . 2 . . . . . 18 PRO HB2 . 50962 1
164 . 1 . 1 18 18 PRO HB3 H 1 2.228 0.000 . 2 . . . . . 18 PRO HB3 . 50962 1
165 . 1 . 1 18 18 PRO HG2 H 1 1.960 0.000 . 1 . . . . . 18 PRO HG2 . 50962 1
166 . 1 . 1 18 18 PRO HG3 H 1 1.960 0.000 . 1 . . . . . 18 PRO HG3 . 50962 1
167 . 1 . 1 18 18 PRO HD2 H 1 3.570 0.000 . 2 . . . . . 18 PRO HD2 . 50962 1
168 . 1 . 1 18 18 PRO HD3 H 1 3.735 0.000 . 2 . . . . . 18 PRO HD3 . 50962 1
169 . 1 . 1 18 18 PRO C C 13 176.068 1.357 . 1 . . . . . 18 PRO C . 50962 1
170 . 1 . 1 18 18 PRO CA C 13 63.330 0.032 . 1 . . . . . 18 PRO CA . 50962 1
171 . 1 . 1 18 18 PRO CB C 13 32.138 0.000 . 1 . . . . . 18 PRO CB . 50962 1
172 . 1 . 1 18 18 PRO N N 15 138.671 0.000 . 1 . . . . . 18 PRO N . 50962 1
173 . 1 . 1 19 19 GLY H H 1 8.411 0.026 . 1 . . . . . 19 GLY H . 50962 1
174 . 1 . 1 19 19 GLY HA2 H 1 3.875 0.000 . 1 . . . . . 19 GLY HA2 . 50962 1
175 . 1 . 1 19 19 GLY HA3 H 1 3.875 0.000 . 1 . . . . . 19 GLY HA3 . 50962 1
176 . 1 . 1 19 19 GLY C C 13 172.613 1.364 . 1 . . . . . 19 GLY C . 50962 1
177 . 1 . 1 19 19 GLY CA C 13 45.095 0.091 . 1 . . . . . 19 GLY CA . 50962 1
178 . 1 . 1 19 19 GLY N N 15 109.259 0.018 . 1 . . . . . 19 GLY N . 50962 1
179 . 1 . 1 20 20 ASN H H 1 8.273 0.031 . 1 . . . . . 20 ASN H . 50962 1
180 . 1 . 1 20 20 ASN HA H 1 4.680 0.000 . 1 . . . . . 20 ASN HA . 50962 1
181 . 1 . 1 20 20 ASN HB2 H 1 2.733 0.000 . 1 . . . . . 20 ASN HB2 . 50962 1
182 . 1 . 1 20 20 ASN HB3 H 1 2.733 0.000 . 1 . . . . . 20 ASN HB3 . 50962 1
183 . 1 . 1 20 20 ASN C C 13 174.244 1.365 . 1 . . . . . 20 ASN C . 50962 1
184 . 1 . 1 20 20 ASN CA C 13 53.158 0.019 . 1 . . . . . 20 ASN CA . 50962 1
185 . 1 . 1 20 20 ASN CB C 13 38.972 0.029 . 1 . . . . . 20 ASN CB . 50962 1
186 . 1 . 1 20 20 ASN N N 15 118.580 0.052 . 1 . . . . . 20 ASN N . 50962 1
187 . 1 . 1 21 21 SER H H 1 8.285 0.025 . 1 . . . . . 21 SER H . 50962 1
188 . 1 . 1 21 21 SER HA H 1 4.284 0.000 . 1 . . . . . 21 SER HA . 50962 1
189 . 1 . 1 21 21 SER HB2 H 1 3.761 0.000 . 2 . . . . . 21 SER HB2 . 50962 1
190 . 1 . 1 21 21 SER HB3 H 1 3.825 0.000 . 2 . . . . . 21 SER HB3 . 50962 1
191 . 1 . 1 21 21 SER C C 13 173.307 1.370 . 1 . . . . . 21 SER C . 50962 1
192 . 1 . 1 21 21 SER CA C 13 58.711 0.032 . 1 . . . . . 21 SER CA . 50962 1
193 . 1 . 1 21 21 SER CB C 13 63.694 0.029 . 1 . . . . . 21 SER CB . 50962 1
194 . 1 . 1 21 21 SER N N 15 116.304 0.055 . 1 . . . . . 21 SER N . 50962 1
195 . 1 . 1 22 22 ASN H H 1 8.398 0.027 . 1 . . . . . 22 ASN H . 50962 1
196 . 1 . 1 22 22 ASN HA H 1 4.549 0.000 . 1 . . . . . 22 ASN HA . 50962 1
197 . 1 . 1 22 22 ASN HB2 H 1 2.659 0.000 . 1 . . . . . 22 ASN HB2 . 50962 1
198 . 1 . 1 22 22 ASN HB3 H 1 2.659 0.000 . 1 . . . . . 22 ASN HB3 . 50962 1
199 . 1 . 1 22 22 ASN C C 13 174.369 1.355 . 1 . . . . . 22 ASN C . 50962 1
200 . 1 . 1 22 22 ASN CA C 13 53.630 0.014 . 1 . . . . . 22 ASN CA . 50962 1
201 . 1 . 1 22 22 ASN CB C 13 38.535 0.037 . 1 . . . . . 22 ASN CB . 50962 1
202 . 1 . 1 22 22 ASN N N 15 120.580 0.027 . 1 . . . . . 22 ASN N . 50962 1
203 . 1 . 1 23 23 LYS H H 1 8.027 0.027 . 1 . . . . . 23 LYS H . 50962 1
204 . 1 . 1 23 23 LYS HA H 1 4.046 0.000 . 1 . . . . . 23 LYS HA . 50962 1
205 . 1 . 1 23 23 LYS HB2 H 1 1.521 0.000 . 1 . . . . . 23 LYS HB2 . 50962 1
206 . 1 . 1 23 23 LYS HB3 H 1 1.521 0.000 . 1 . . . . . 23 LYS HB3 . 50962 1
207 . 1 . 1 23 23 LYS HG2 H 1 1.074 0.000 . 1 . . . . . 23 LYS HG2 . 50962 1
208 . 1 . 1 23 23 LYS HG3 H 1 1.074 0.000 . 1 . . . . . 23 LYS HG3 . 50962 1
209 . 1 . 1 23 23 LYS HD2 H 1 1.467 0.000 . 1 . . . . . 23 LYS HD2 . 50962 1
210 . 1 . 1 23 23 LYS HD3 H 1 1.467 0.000 . 1 . . . . . 23 LYS HD3 . 50962 1
211 . 1 . 1 23 23 LYS HE2 H 1 2.767 0.000 . 1 . . . . . 23 LYS HE2 . 50962 1
212 . 1 . 1 23 23 LYS HE3 H 1 2.767 0.000 . 1 . . . . . 23 LYS HE3 . 50962 1
213 . 1 . 1 23 23 LYS C C 13 175.281 1.351 . 1 . . . . . 23 LYS C . 50962 1
214 . 1 . 1 23 23 LYS CA C 13 57.259 0.012 . 1 . . . . . 23 LYS CA . 50962 1
215 . 1 . 1 23 23 LYS CB C 13 32.440 0.024 . 1 . . . . . 23 LYS CB . 50962 1
216 . 1 . 1 23 23 LYS N N 15 121.073 0.045 . 1 . . . . . 23 LYS N . 50962 1
217 . 1 . 1 24 24 TRP H H 1 7.824 0.027 . 1 . . . . . 24 TRP H . 50962 1
218 . 1 . 1 24 24 TRP HA H 1 4.583 0.000 . 1 . . . . . 24 TRP HA . 50962 1
219 . 1 . 1 24 24 TRP HB2 H 1 3.148 0.000 . 2 . . . . . 24 TRP HB2 . 50962 1
220 . 1 . 1 24 24 TRP HB3 H 1 3.246 0.000 . 2 . . . . . 24 TRP HB3 . 50962 1
221 . 1 . 1 24 24 TRP C C 13 175.083 1.357 . 1 . . . . . 24 TRP C . 50962 1
222 . 1 . 1 24 24 TRP CA C 13 57.199 0.031 . 1 . . . . . 24 TRP CA . 50962 1
223 . 1 . 1 24 24 TRP CB C 13 29.195 0.021 . 1 . . . . . 24 TRP CB . 50962 1
224 . 1 . 1 24 24 TRP N N 15 119.992 0.037 . 1 . . . . . 24 TRP N . 50962 1
225 . 1 . 1 25 25 LYS H H 1 7.840 0.026 . 1 . . . . . 25 LYS H . 50962 1
226 . 1 . 1 25 25 LYS HA H 1 4.044 0.000 . 1 . . . . . 25 LYS HA . 50962 1
227 . 1 . 1 25 25 LYS HB2 H 1 1.537 0.000 . 2 . . . . . 25 LYS HB2 . 50962 1
228 . 1 . 1 25 25 LYS HB3 H 1 1.601 0.000 . 2 . . . . . 25 LYS HB3 . 50962 1
229 . 1 . 1 25 25 LYS HG2 H 1 1.141 0.000 . 1 . . . . . 25 LYS HG2 . 50962 1
230 . 1 . 1 25 25 LYS HG3 H 1 1.141 0.000 . 1 . . . . . 25 LYS HG3 . 50962 1
231 . 1 . 1 25 25 LYS HD2 H 1 1.537 0.000 . 2 . . . . . 25 LYS HD2 . 50962 1
232 . 1 . 1 25 25 LYS HD3 H 1 1.601 0.000 . 2 . . . . . 25 LYS HD3 . 50962 1
233 . 1 . 1 25 25 LYS HE2 H 1 2.862 0.000 . 1 . . . . . 25 LYS HE2 . 50962 1
234 . 1 . 1 25 25 LYS HE3 H 1 2.862 0.000 . 1 . . . . . 25 LYS HE3 . 50962 1
235 . 1 . 1 25 25 LYS C C 13 175.048 1.376 . 1 . . . . . 25 LYS C . 50962 1
236 . 1 . 1 25 25 LYS CA C 13 56.894 0.035 . 1 . . . . . 25 LYS CA . 50962 1
237 . 1 . 1 25 25 LYS CB C 13 32.880 0.021 . 1 . . . . . 25 LYS CB . 50962 1
238 . 1 . 1 25 25 LYS N N 15 121.856 0.068 . 1 . . . . . 25 LYS N . 50962 1
239 . 1 . 1 26 26 HIS H H 1 8.218 0.022 . 1 . . . . . 26 HIS H . 50962 1
240 . 1 . 1 26 26 HIS HA H 1 4.524 0.000 . 1 . . . . . 26 HIS HA . 50962 1
241 . 1 . 1 26 26 HIS HB2 H 1 3.047 0.000 . 2 . . . . . 26 HIS HB2 . 50962 1
242 . 1 . 1 26 26 HIS HB3 H 1 3.141 0.000 . 2 . . . . . 26 HIS HB3 . 50962 1
243 . 1 . 1 26 26 HIS C C 13 173.399 1.368 . 1 . . . . . 26 HIS C . 50962 1
244 . 1 . 1 26 26 HIS CA C 13 55.579 0.025 . 1 . . . . . 26 HIS CA . 50962 1
245 . 1 . 1 26 26 HIS CB C 13 28.901 0.001 . 1 . . . . . 26 HIS CB . 50962 1
246 . 1 . 1 26 26 HIS N N 15 118.858 0.047 . 1 . . . . . 26 HIS N . 50962 1
247 . 1 . 1 27 27 LEU H H 1 8.110 0.029 . 1 . . . . . 27 LEU H . 50962 1
248 . 1 . 1 27 27 LEU HA H 1 4.213 0.000 . 1 . . . . . 27 LEU HA . 50962 1
249 . 1 . 1 27 27 LEU HB2 H 1 1.483 0.000 . 2 . . . . . 27 LEU HB2 . 50962 1
250 . 1 . 1 27 27 LEU HB3 H 1 1.581 0.000 . 2 . . . . . 27 LEU HB3 . 50962 1
251 . 1 . 1 27 27 LEU HG H 1 1.483 0.000 . 1 . . . . . 27 LEU HG . 50962 1
252 . 1 . 1 27 27 LEU HD11 H 1 0.789 0.000 . 2 . . . . . 27 LEU HD11 . 50962 1
253 . 1 . 1 27 27 LEU HD12 H 1 0.789 0.000 . 2 . . . . . 27 LEU HD12 . 50962 1
254 . 1 . 1 27 27 LEU HD13 H 1 0.789 0.000 . 2 . . . . . 27 LEU HD13 . 50962 1
255 . 1 . 1 27 27 LEU HD21 H 1 0.832 0.000 . 2 . . . . . 27 LEU HD21 . 50962 1
256 . 1 . 1 27 27 LEU HD22 H 1 0.832 0.000 . 2 . . . . . 27 LEU HD22 . 50962 1
257 . 1 . 1 27 27 LEU HD23 H 1 0.832 0.000 . 2 . . . . . 27 LEU HD23 . 50962 1
258 . 1 . 1 27 27 LEU C C 13 176.037 1.371 . 1 . . . . . 27 LEU C . 50962 1
259 . 1 . 1 27 27 LEU CA C 13 55.552 0.046 . 1 . . . . . 27 LEU CA . 50962 1
260 . 1 . 1 27 27 LEU CB C 13 42.302 0.017 . 1 . . . . . 27 LEU CB . 50962 1
261 . 1 . 1 27 27 LEU N N 15 123.195 0.044 . 1 . . . . . 27 LEU N . 50962 1
262 . 1 . 1 28 28 GLN H H 1 8.285 0.025 . 1 . . . . . 28 GLN H . 50962 1
263 . 1 . 1 28 28 GLN HA H 1 4.206 0.000 . 1 . . . . . 28 GLN HA . 50962 1
264 . 1 . 1 28 28 GLN HB2 H 1 1.902 0.000 . 2 . . . . . 28 GLN HB2 . 50962 1
265 . 1 . 1 28 28 GLN HB3 H 1 2.003 0.000 . 2 . . . . . 28 GLN HB3 . 50962 1
266 . 1 . 1 28 28 GLN HG2 H 1 2.241 0.000 . 1 . . . . . 28 GLN HG2 . 50962 1
267 . 1 . 1 28 28 GLN HG3 H 1 2.241 0.000 . 1 . . . . . 28 GLN HG3 . 50962 1
268 . 1 . 1 28 28 GLN C C 13 174.746 1.363 . 1 . . . . . 28 GLN C . 50962 1
269 . 1 . 1 28 28 GLN CA C 13 55.960 0.021 . 1 . . . . . 28 GLN CA . 50962 1
270 . 1 . 1 28 28 GLN CB C 13 29.235 0.028 . 1 . . . . . 28 GLN CB . 50962 1
271 . 1 . 1 28 28 GLN N N 15 120.712 0.023 . 1 . . . . . 28 GLN N . 50962 1
272 . 1 . 1 29 29 GLU H H 1 8.321 0.029 . 1 . . . . . 29 GLU H . 50962 1
273 . 1 . 1 29 29 GLU HA H 1 4.164 0.000 . 1 . . . . . 29 GLU HA . 50962 1
274 . 1 . 1 29 29 GLU HB2 H 1 1.891 0.000 . 2 . . . . . 29 GLU HB2 . 50962 1
275 . 1 . 1 29 29 GLU HB3 H 1 1.943 0.000 . 2 . . . . . 29 GLU HB3 . 50962 1
276 . 1 . 1 29 29 GLU HG2 H 1 2.179 0.000 . 1 . . . . . 29 GLU HG2 . 50962 1
277 . 1 . 1 29 29 GLU HG3 H 1 2.179 0.000 . 1 . . . . . 29 GLU HG3 . 50962 1
278 . 1 . 1 29 29 GLU C C 13 174.935 1.363 . 1 . . . . . 29 GLU C . 50962 1
279 . 1 . 1 29 29 GLU CA C 13 56.682 0.006 . 1 . . . . . 29 GLU CA . 50962 1
280 . 1 . 1 29 29 GLU CB C 13 30.379 0.015 . 1 . . . . . 29 GLU CB . 50962 1
281 . 1 . 1 29 29 GLU N N 15 122.289 0.041 . 1 . . . . . 29 GLU N . 50962 1
282 . 1 . 1 30 30 ASN H H 1 8.420 0.030 . 1 . . . . . 30 ASN H . 50962 1
283 . 1 . 1 30 30 ASN HA H 1 4.211 0.000 . 1 . . . . . 30 ASN HA . 50962 1
284 . 1 . 1 30 30 ASN HB2 H 1 2.695 0.002 . 2 . . . . . 30 ASN HB2 . 50962 1
285 . 1 . 1 30 30 ASN HB3 H 1 2.762 0.001 . 2 . . . . . 30 ASN HB3 . 50962 1
286 . 1 . 1 30 30 ASN C C 13 175.405 1.357 . 1 . . . . . 30 ASN C . 50962 1
287 . 1 . 1 30 30 ASN CA C 13 53.305 0.039 . 1 . . . . . 30 ASN CA . 50962 1
288 . 1 . 1 30 30 ASN CB C 13 38.683 0.064 . 1 . . . . . 30 ASN CB . 50962 1
289 . 1 . 1 30 30 ASN N N 15 120.216 0.062 . 1 . . . . . 30 ASN N . 50962 1
290 . 1 . 1 31 31 LYS H H 1 8.211 0.025 . 1 . . . . . 31 LYS H . 50962 1
291 . 1 . 1 31 31 LYS HA H 1 4.205 0.000 . 1 . . . . . 31 LYS HA . 50962 1
292 . 1 . 1 31 31 LYS HB2 H 1 1.675 0.000 . 2 . . . . . 31 LYS HB2 . 50962 1
293 . 1 . 1 31 31 LYS HB3 H 1 1.788 0.000 . 2 . . . . . 31 LYS HB3 . 50962 1
294 . 1 . 1 31 31 LYS HG2 H 1 1.316 0.000 . 2 . . . . . 31 LYS HG2 . 50962 1
295 . 1 . 1 31 31 LYS HG3 H 1 1.359 0.000 . 2 . . . . . 31 LYS HG3 . 50962 1
296 . 1 . 1 31 31 LYS HE2 H 1 2.912 0.000 . 1 . . . . . 31 LYS HE2 . 50962 1
297 . 1 . 1 31 31 LYS HE3 H 1 2.912 0.000 . 1 . . . . . 31 LYS HE3 . 50962 1
298 . 1 . 1 31 31 LYS C C 13 175.447 1.369 . 1 . . . . . 31 LYS C . 50962 1
299 . 1 . 1 31 31 LYS CA C 13 56.626 0.037 . 1 . . . . . 31 LYS CA . 50962 1
300 . 1 . 1 31 31 LYS CB C 13 32.875 0.000 . 1 . . . . . 31 LYS CB . 50962 1
301 . 1 . 1 31 31 LYS N N 15 121.596 0.029 . 1 . . . . . 31 LYS N . 50962 1
302 . 1 . 1 32 32 LYS H H 1 8.187 0.027 . 1 . . . . . 32 LYS H . 50962 1
303 . 1 . 1 32 32 LYS HA H 1 4.215 0.000 . 1 . . . . . 32 LYS HA . 50962 1
304 . 1 . 1 32 32 LYS HB2 H 1 1.715 0.000 . 2 . . . . . 32 LYS HB2 . 50962 1
305 . 1 . 1 32 32 LYS HB3 H 1 1.777 0.000 . 2 . . . . . 32 LYS HB3 . 50962 1
306 . 1 . 1 32 32 LYS HG2 H 1 1.345 0.000 . 2 . . . . . 32 LYS HG2 . 50962 1
307 . 1 . 1 32 32 LYS HG3 H 1 1.381 0.000 . 2 . . . . . 32 LYS HG3 . 50962 1
308 . 1 . 1 32 32 LYS HD2 H 1 1.601 0.000 . 1 . . . . . 32 LYS HD2 . 50962 1
309 . 1 . 1 32 32 LYS HD3 H 1 1.601 0.000 . 1 . . . . . 32 LYS HD3 . 50962 1
310 . 1 . 1 32 32 LYS HE2 H 1 2.922 0.000 . 1 . . . . . 32 LYS HE2 . 50962 1
311 . 1 . 1 32 32 LYS HE3 H 1 2.922 0.000 . 1 . . . . . 32 LYS HE3 . 50962 1
312 . 1 . 1 32 32 LYS C C 13 175.852 1.359 . 1 . . . . . 32 LYS C . 50962 1
313 . 1 . 1 32 32 LYS CA C 13 56.667 0.014 . 1 . . . . . 32 LYS CA . 50962 1
314 . 1 . 1 32 32 LYS CB C 13 32.884 0.034 . 1 . . . . . 32 LYS CB . 50962 1
315 . 1 . 1 32 32 LYS N N 15 121.437 0.030 . 1 . . . . . 32 LYS N . 50962 1
316 . 1 . 1 33 33 GLY H H 1 8.287 0.023 . 1 . . . . . 33 GLY H . 50962 1
317 . 1 . 1 33 33 GLY HA2 H 1 3.876 0.000 . 1 . . . . . 33 GLY HA2 . 50962 1
318 . 1 . 1 33 33 GLY HA3 H 1 3.876 0.000 . 1 . . . . . 33 GLY HA3 . 50962 1
319 . 1 . 1 33 33 GLY C C 13 172.827 1.359 . 1 . . . . . 33 GLY C . 50962 1
320 . 1 . 1 33 33 GLY CA C 13 45.335 0.039 . 1 . . . . . 33 GLY CA . 50962 1
321 . 1 . 1 33 33 GLY N N 15 109.691 0.044 . 1 . . . . . 33 GLY N . 50962 1
322 . 1 . 1 34 34 ARG H H 1 8.147 0.028 . 1 . . . . . 34 ARG H . 50962 1
323 . 1 . 1 34 34 ARG HA H 1 4.242 0.000 . 1 . . . . . 34 ARG HA . 50962 1
324 . 1 . 1 34 34 ARG HB2 H 1 1.678 0.000 . 2 . . . . . 34 ARG HB2 . 50962 1
325 . 1 . 1 34 34 ARG HB3 H 1 1.762 0.000 . 2 . . . . . 34 ARG HB3 . 50962 1
326 . 1 . 1 34 34 ARG HG2 H 1 1.532 0.000 . 1 . . . . . 34 ARG HG2 . 50962 1
327 . 1 . 1 34 34 ARG HG3 H 1 1.532 0.000 . 1 . . . . . 34 ARG HG3 . 50962 1
328 . 1 . 1 34 34 ARG HD2 H 1 3.106 0.000 . 1 . . . . . 34 ARG HD2 . 50962 1
329 . 1 . 1 34 34 ARG HD3 H 1 3.106 0.000 . 1 . . . . . 34 ARG HD3 . 50962 1
330 . 1 . 1 34 34 ARG C C 13 174.857 1.374 . 1 . . . . . 34 ARG C . 50962 1
331 . 1 . 1 34 34 ARG CA C 13 56.162 0.087 . 1 . . . . . 34 ARG CA . 50962 1
332 . 1 . 1 34 34 ARG CB C 13 30.686 0.046 . 1 . . . . . 34 ARG CB . 50962 1
333 . 1 . 1 34 34 ARG N N 15 120.355 0.048 . 1 . . . . . 34 ARG N . 50962 1
334 . 1 . 1 35 35 ASN H H 1 8.444 0.026 . 1 . . . . . 35 ASN H . 50962 1
335 . 1 . 1 35 35 ASN HA H 1 4.493 0.000 . 1 . . . . . 35 ASN HA . 50962 1
336 . 1 . 1 35 35 ASN HB2 H 1 2.587 0.000 . 1 . . . . . 35 ASN HB2 . 50962 1
337 . 1 . 1 35 35 ASN HB3 H 1 2.587 0.000 . 1 . . . . . 35 ASN HB3 . 50962 1
338 . 1 . 1 35 35 ASN C C 13 174.922 1.373 . 1 . . . . . 35 ASN C . 50962 1
339 . 1 . 1 35 35 ASN CA C 13 53.257 0.014 . 1 . . . . . 35 ASN CA . 50962 1
340 . 1 . 1 35 35 ASN CB C 13 38.701 0.005 . 1 . . . . . 35 ASN CB . 50962 1
341 . 1 . 1 35 35 ASN N N 15 119.712 0.058 . 1 . . . . . 35 ASN N . 50962 1
342 . 1 . 1 36 36 ARG H H 1 8.259 0.025 . 1 . . . . . 36 ARG H . 50962 1
343 . 1 . 1 36 36 ARG HA H 1 4.231 0.000 . 1 . . . . . 36 ARG HA . 50962 1
344 . 1 . 1 36 36 ARG HB2 H 1 1.678 0.000 . 2 . . . . . 36 ARG HB2 . 50962 1
345 . 1 . 1 36 36 ARG HB3 H 1 1.786 0.000 . 2 . . . . . 36 ARG HB3 . 50962 1
346 . 1 . 1 36 36 ARG HG2 H 1 1.534 0.000 . 1 . . . . . 36 ARG HG2 . 50962 1
347 . 1 . 1 36 36 ARG HG3 H 1 1.534 0.000 . 1 . . . . . 36 ARG HG3 . 50962 1
348 . 1 . 1 36 36 ARG HD2 H 1 3.104 0.000 . 1 . . . . . 36 ARG HD2 . 50962 1
349 . 1 . 1 36 36 ARG HD3 H 1 3.104 0.000 . 1 . . . . . 36 ARG HD3 . 50962 1
350 . 1 . 1 36 36 ARG C C 13 174.900 1.351 . 1 . . . . . 36 ARG C . 50962 1
351 . 1 . 1 36 36 ARG CA C 13 56.200 0.081 . 1 . . . . . 36 ARG CA . 50962 1
352 . 1 . 1 36 36 ARG CB C 13 30.619 0.027 . 1 . . . . . 36 ARG CB . 50962 1
353 . 1 . 1 36 36 ARG N N 15 122.000 0.062 . 1 . . . . . 36 ARG N . 50962 1
354 . 1 . 1 37 37 ARG H H 1 8.381 0.025 . 1 . . . . . 37 ARG H . 50962 1
355 . 1 . 1 37 37 ARG HA H 1 4.317 0.000 . 1 . . . . . 37 ARG HA . 50962 1
356 . 1 . 1 37 37 ARG HB2 H 1 1.684 0.000 . 2 . . . . . 37 ARG HB2 . 50962 1
357 . 1 . 1 37 37 ARG HB3 H 1 1.786 0.000 . 2 . . . . . 37 ARG HB3 . 50962 1
358 . 1 . 1 37 37 ARG HG2 H 1 1.543 0.000 . 1 . . . . . 37 ARG HG2 . 50962 1
359 . 1 . 1 37 37 ARG HG3 H 1 1.543 0.000 . 1 . . . . . 37 ARG HG3 . 50962 1
360 . 1 . 1 37 37 ARG HD2 H 1 3.116 0.000 . 1 . . . . . 37 ARG HD2 . 50962 1
361 . 1 . 1 37 37 ARG HD3 H 1 3.116 0.000 . 1 . . . . . 37 ARG HD3 . 50962 1
362 . 1 . 1 37 37 ARG C C 13 175.200 1.354 . 1 . . . . . 37 ARG C . 50962 1
363 . 1 . 1 37 37 ARG CA C 13 56.184 0.064 . 1 . . . . . 37 ARG CA . 50962 1
364 . 1 . 1 37 37 ARG CB C 13 30.670 0.017 . 1 . . . . . 37 ARG CB . 50962 1
365 . 1 . 1 37 37 ARG N N 15 122.018 0.037 . 1 . . . . . 37 ARG N . 50962 1
366 . 1 . 1 38 38 THR H H 1 8.039 0.023 . 1 . . . . . 38 THR H . 50962 1
367 . 1 . 1 38 38 THR HA H 1 4.191 0.004 . 1 . . . . . 38 THR HA . 50962 1
368 . 1 . 1 38 38 THR HB H 1 4.105 0.001 . 1 . . . . . 38 THR HB . 50962 1
369 . 1 . 1 38 38 THR HG21 H 1 1.069 0.000 . 1 . . . . . 38 THR HG21 . 50962 1
370 . 1 . 1 38 38 THR HG22 H 1 1.069 0.000 . 1 . . . . . 38 THR HG22 . 50962 1
371 . 1 . 1 38 38 THR HG23 H 1 1.069 0.000 . 1 . . . . . 38 THR HG23 . 50962 1
372 . 1 . 1 38 38 THR C C 13 173.129 1.365 . 1 . . . . . 38 THR C . 50962 1
373 . 1 . 1 38 38 THR CA C 13 61.995 0.067 . 1 . . . . . 38 THR CA . 50962 1
374 . 1 . 1 38 38 THR CB C 13 69.820 0.047 . 1 . . . . . 38 THR CB . 50962 1
375 . 1 . 1 38 38 THR N N 15 114.491 0.047 . 1 . . . . . 38 THR N . 50962 1
376 . 1 . 1 39 39 HIS H H 1 8.428 0.025 . 1 . . . . . 39 HIS H . 50962 1
377 . 1 . 1 39 39 HIS HA H 1 4.564 0.000 . 1 . . . . . 39 HIS HA . 50962 1
378 . 1 . 1 39 39 HIS HB2 H 1 3.030 0.000 . 2 . . . . . 39 HIS HB2 . 50962 1
379 . 1 . 1 39 39 HIS HB3 H 1 3.138 0.000 . 2 . . . . . 39 HIS HB3 . 50962 1
380 . 1 . 1 39 39 HIS C C 13 173.152 1.361 . 1 . . . . . 39 HIS C . 50962 1
381 . 1 . 1 39 39 HIS CA C 13 55.638 0.023 . 1 . . . . . 39 HIS CA . 50962 1
382 . 1 . 1 39 39 HIS CB C 13 28.899 0.013 . 1 . . . . . 39 HIS CB . 50962 1
383 . 1 . 1 39 39 HIS N N 15 119.506 0.035 . 1 . . . . . 39 HIS N . 50962 1
384 . 1 . 1 40 40 GLU H H 1 8.358 0.028 . 1 . . . . . 40 GLU H . 50962 1
385 . 1 . 1 40 40 GLU HA H 1 4.081 0.000 . 1 . . . . . 40 GLU HA . 50962 1
386 . 1 . 1 40 40 GLU HB2 H 1 1.787 0.000 . 1 . . . . . 40 GLU HB2 . 50962 1
387 . 1 . 1 40 40 GLU HB3 H 1 1.787 0.000 . 1 . . . . . 40 GLU HB3 . 50962 1
388 . 1 . 1 40 40 GLU HG2 H 1 2.016 0.000 . 1 . . . . . 40 GLU HG2 . 50962 1
389 . 1 . 1 40 40 GLU HG3 H 1 2.016 0.000 . 1 . . . . . 40 GLU HG3 . 50962 1
390 . 1 . 1 40 40 GLU C C 13 174.800 1.368 . 1 . . . . . 40 GLU C . 50962 1
391 . 1 . 1 40 40 GLU CA C 13 56.978 0.015 . 1 . . . . . 40 GLU CA . 50962 1
392 . 1 . 1 40 40 GLU CB C 13 30.156 0.027 . 1 . . . . . 40 GLU CB . 50962 1
393 . 1 . 1 40 40 GLU N N 15 121.881 0.045 . 1 . . . . . 40 GLU N . 50962 1
394 . 1 . 1 41 41 PHE H H 1 8.197 0.030 . 1 . . . . . 41 PHE H . 50962 1
395 . 1 . 1 41 41 PHE HA H 1 4.525 0.000 . 1 . . . . . 41 PHE HA . 50962 1
396 . 1 . 1 41 41 PHE HB2 H 1 2.944 0.000 . 2 . . . . . 41 PHE HB2 . 50962 1
397 . 1 . 1 41 41 PHE HB3 H 1 3.098 0.000 . 2 . . . . . 41 PHE HB3 . 50962 1
398 . 1 . 1 41 41 PHE C C 13 173.859 1.288 . 1 . . . . . 41 PHE C . 50962 1
399 . 1 . 1 41 41 PHE CA C 13 57.734 0.016 . 1 . . . . . 41 PHE CA . 50962 1
400 . 1 . 1 41 41 PHE CB C 13 39.239 0.005 . 1 . . . . . 41 PHE CB . 50962 1
401 . 1 . 1 41 41 PHE N N 15 119.875 0.035 . 1 . . . . . 41 PHE N . 50962 1
402 . 1 . 1 42 42 GLU H H 1 8.113 0.023 . 1 . . . . . 42 GLU H . 50962 1
403 . 1 . 1 42 42 GLU HA H 1 4.189 0.000 . 1 . . . . . 42 GLU HA . 50962 1
404 . 1 . 1 42 42 GLU HB2 H 1 1.849 0.000 . 2 . . . . . 42 GLU HB2 . 50962 1
405 . 1 . 1 42 42 GLU HB3 H 1 1.925 0.000 . 2 . . . . . 42 GLU HB3 . 50962 1
406 . 1 . 1 42 42 GLU HG2 H 1 2.156 0.000 . 1 . . . . . 42 GLU HG2 . 50962 1
407 . 1 . 1 42 42 GLU HG3 H 1 2.156 0.000 . 1 . . . . . 42 GLU HG3 . 50962 1
408 . 1 . 1 42 42 GLU C C 13 174.599 1.370 . 1 . . . . . 42 GLU C . 50962 1
409 . 1 . 1 42 42 GLU CA C 13 56.346 0.030 . 1 . . . . . 42 GLU CA . 50962 1
410 . 1 . 1 42 42 GLU CB C 13 30.407 0.008 . 1 . . . . . 42 GLU CB . 50962 1
411 . 1 . 1 42 42 GLU N N 15 122.218 0.102 . 1 . . . . . 42 GLU N . 50962 1
412 . 1 . 1 43 43 ARG H H 1 8.207 0.029 . 1 . . . . . 43 ARG H . 50962 1
413 . 1 . 1 43 43 ARG HA H 1 4.214 0.000 . 1 . . . . . 43 ARG HA . 50962 1
414 . 1 . 1 43 43 ARG HB2 H 1 1.663 0.000 . 2 . . . . . 43 ARG HB2 . 50962 1
415 . 1 . 1 43 43 ARG HB3 H 1 1.766 0.000 . 2 . . . . . 43 ARG HB3 . 50962 1
416 . 1 . 1 43 43 ARG HG2 H 1 1.559 0.000 . 1 . . . . . 43 ARG HG2 . 50962 1
417 . 1 . 1 43 43 ARG HG3 H 1 1.559 0.000 . 1 . . . . . 43 ARG HG3 . 50962 1
418 . 1 . 1 43 43 ARG HD2 H 1 3.124 0.000 . 1 . . . . . 43 ARG HD2 . 50962 1
419 . 1 . 1 43 43 ARG HD3 H 1 3.124 0.000 . 1 . . . . . 43 ARG HD3 . 50962 1
420 . 1 . 1 43 43 ARG C C 13 174.225 1.367 . 1 . . . . . 43 ARG C . 50962 1
421 . 1 . 1 43 43 ARG CA C 13 55.767 0.000 . 1 . . . . . 43 ARG CA . 50962 1
422 . 1 . 1 43 43 ARG CB C 13 30.836 0.000 . 1 . . . . . 43 ARG CB . 50962 1
423 . 1 . 1 43 43 ARG N N 15 122.024 0.037 . 1 . . . . . 43 ARG N . 50962 1
424 . 1 . 1 44 44 ALA H H 1 8.230 0.020 . 1 . . . . . 44 ALA H . 50962 1
425 . 1 . 1 44 44 ALA C C 13 172.711 0.005 . 1 . . . . . 44 ALA C . 50962 1
426 . 1 . 1 44 44 ALA CA C 13 50.477 0.013 . 1 . . . . . 44 ALA CA . 50962 1
427 . 1 . 1 44 44 ALA CB C 13 18.101 0.009 . 1 . . . . . 44 ALA CB . 50962 1
428 . 1 . 1 44 44 ALA N N 15 126.469 0.034 . 1 . . . . . 44 ALA N . 50962 1
429 . 1 . 1 45 45 PRO HA H 1 4.352 0.009 . 1 . . . . . 45 PRO HA . 50962 1
430 . 1 . 1 45 45 PRO HB2 H 1 2.224 0.010 . 2 . . . . . 45 PRO HB2 . 50962 1
431 . 1 . 1 45 45 PRO HB3 H 1 1.840 0.008 . 2 . . . . . 45 PRO HB3 . 50962 1
432 . 1 . 1 45 45 PRO HG2 H 1 1.944 0.010 . 1 . . . . . 45 PRO HG2 . 50962 1
433 . 1 . 1 45 45 PRO HG3 H 1 1.944 0.010 . 1 . . . . . 45 PRO HG3 . 50962 1
434 . 1 . 1 45 45 PRO HD2 H 1 3.554 0.000 . 2 . . . . . 45 PRO HD2 . 50962 1
435 . 1 . 1 45 45 PRO HD3 H 1 3.683 0.000 . 2 . . . . . 45 PRO HD3 . 50962 1
436 . 1 . 1 45 45 PRO C C 13 175.438 1.365 . 1 . . . . . 45 PRO C . 50962 1
437 . 1 . 1 45 45 PRO CA C 13 63.034 0.105 . 1 . . . . . 45 PRO CA . 50962 1
438 . 1 . 1 45 45 PRO CB C 13 31.986 0.000 . 1 . . . . . 45 PRO CB . 50962 1
439 . 1 . 1 45 45 PRO N N 15 135.598 0.000 . 1 . . . . . 45 PRO N . 50962 1
440 . 1 . 1 46 46 ARG H H 1 8.334 0.024 . 1 . . . . . 46 ARG H . 50962 1
441 . 1 . 1 46 46 ARG HA H 1 4.270 0.000 . 1 . . . . . 46 ARG HA . 50962 1
442 . 1 . 1 46 46 ARG HB2 H 1 1.719 0.000 . 2 . . . . . 46 ARG HB2 . 50962 1
443 . 1 . 1 46 46 ARG HB3 H 1 1.789 0.000 . 2 . . . . . 46 ARG HB3 . 50962 1
444 . 1 . 1 46 46 ARG HG2 H 1 1.575 0.000 . 1 . . . . . 46 ARG HG2 . 50962 1
445 . 1 . 1 46 46 ARG HG3 H 1 1.575 0.000 . 1 . . . . . 46 ARG HG3 . 50962 1
446 . 1 . 1 46 46 ARG HD2 H 1 3.129 0.000 . 1 . . . . . 46 ARG HD2 . 50962 1
447 . 1 . 1 46 46 ARG HD3 H 1 3.129 0.000 . 1 . . . . . 46 ARG HD3 . 50962 1
448 . 1 . 1 46 46 ARG C C 13 174.893 1.355 . 1 . . . . . 46 ARG C . 50962 1
449 . 1 . 1 46 46 ARG CA C 13 56.015 0.027 . 1 . . . . . 46 ARG CA . 50962 1
450 . 1 . 1 46 46 ARG CB C 13 30.915 0.001 . 1 . . . . . 46 ARG CB . 50962 1
451 . 1 . 1 46 46 ARG N N 15 120.931 0.030 . 1 . . . . . 46 ARG N . 50962 1
452 . 1 . 1 47 47 SER H H 1 8.332 0.023 . 1 . . . . . 47 SER H . 50962 1
453 . 1 . 1 47 47 SER HA H 1 4.429 0.000 . 1 . . . . . 47 SER HA . 50962 1
454 . 1 . 1 47 47 SER HB2 H 1 3.786 0.000 . 1 . . . . . 47 SER HB2 . 50962 1
455 . 1 . 1 47 47 SER HB3 H 1 3.786 0.000 . 1 . . . . . 47 SER HB3 . 50962 1
456 . 1 . 1 47 47 SER C C 13 172.190 1.363 . 1 . . . . . 47 SER C . 50962 1
457 . 1 . 1 47 47 SER CA C 13 58.300 0.048 . 1 . . . . . 47 SER CA . 50962 1
458 . 1 . 1 47 47 SER CB C 13 63.891 0.026 . 1 . . . . . 47 SER CB . 50962 1
459 . 1 . 1 47 47 SER N N 15 118.052 0.024 . 1 . . . . . 47 SER N . 50962 1
460 . 1 . 1 48 48 VAL H H 1 7.711 0.028 . 1 . . . . . 48 VAL H . 50962 1
461 . 1 . 1 48 48 VAL HA H 1 3.993 0.000 . 1 . . . . . 48 VAL HA . 50962 1
462 . 1 . 1 48 48 VAL HB H 1 2.033 0.009 . 1 . . . . . 48 VAL HB . 50962 1
463 . 1 . 1 48 48 VAL HG11 H 1 0.805 0.000 . 1 . . . . . 48 VAL HG11 . 50962 1
464 . 1 . 1 48 48 VAL HG12 H 1 0.805 0.000 . 1 . . . . . 48 VAL HG12 . 50962 1
465 . 1 . 1 48 48 VAL HG13 H 1 0.805 0.000 . 1 . . . . . 48 VAL HG13 . 50962 1
466 . 1 . 1 48 48 VAL HG21 H 1 0.805 0.000 . 1 . . . . . 48 VAL HG21 . 50962 1
467 . 1 . 1 48 48 VAL HG22 H 1 0.805 0.000 . 1 . . . . . 48 VAL HG22 . 50962 1
468 . 1 . 1 48 48 VAL HG23 H 1 0.805 0.000 . 1 . . . . . 48 VAL HG23 . 50962 1
469 . 1 . 1 48 48 VAL CA C 13 63.568 0.000 . 1 . . . . . 48 VAL CA . 50962 1
470 . 1 . 1 48 48 VAL CB C 13 33.315 0.006 . 1 . . . . . 48 VAL CB . 50962 1
471 . 1 . 1 48 48 VAL N N 15 125.368 0.054 . 1 . . . . . 48 VAL N . 50962 1
stop_
save_