Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18852
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Experiments_at_283K
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 18852 1
2 '2D 1H-15N HSQC NH2 only' . . . 18852 1
3 '2D 1H-13C HSQC' . . . 18852 1
4 '3D HNCO' . . . 18852 1
5 '3D HNCA' . . . 18852 1
6 '3D HN(CO)CA' . . . 18852 1
7 '3D CBCA(CO)NH' . . . 18852 1
8 '3D HNCACB' . . . 18852 1
9 '3D HBHA(CO)NH' . . . 18852 1
10 '3D H(CCO)NH' . . . 18852 1
13 '3D HCCH-TOCSY' . . . 18852 1
14 '3D HNHA' . . . 18852 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 ALA HA H 1 4.239 0.000 . 1 . . . A 2 ALA HA . 18852 1
2 . 1 1 2 2 ALA HB1 H 1 1.507 0.002 . 1 . . . A 2 ALA HB1 . 18852 1
3 . 1 1 2 2 ALA HB2 H 1 1.507 0.002 . 1 . . . A 2 ALA HB2 . 18852 1
4 . 1 1 2 2 ALA HB3 H 1 1.507 0.002 . 1 . . . A 2 ALA HB3 . 18852 1
5 . 1 1 2 2 ALA C C 13 179.180 0.000 . 1 . . . A 2 ALA C . 18852 1
6 . 1 1 2 2 ALA CA C 13 54.532 0.000 . 1 . . . A 2 ALA CA . 18852 1
7 . 1 1 2 2 ALA CB C 13 18.397 0.000 . 1 . . . A 2 ALA CB . 18852 1
8 . 1 1 3 3 MET H H 1 8.613 0.004 . 1 . . . A 3 MET H . 18852 1
9 . 1 1 3 3 MET HA H 1 4.354 0.008 . 1 . . . A 3 MET HA . 18852 1
10 . 1 1 3 3 MET HB2 H 1 2.146 0.015 . 2 . . . A 3 MET HB2 . 18852 1
11 . 1 1 3 3 MET HB3 H 1 2.156 0.015 . 2 . . . A 3 MET HB3 . 18852 1
12 . 1 1 3 3 MET HG2 H 1 2.620 0.005 . 2 . . . A 3 MET HG2 . 18852 1
13 . 1 1 3 3 MET HG3 H 1 2.691 0.003 . 2 . . . A 3 MET HG3 . 18852 1
14 . 1 1 3 3 MET HE1 H 1 2.128 0.009 . 1 . . . A 3 MET HE1 . 18852 1
15 . 1 1 3 3 MET HE2 H 1 2.128 0.009 . 1 . . . A 3 MET HE2 . 18852 1
16 . 1 1 3 3 MET HE3 H 1 2.128 0.009 . 1 . . . A 3 MET HE3 . 18852 1
17 . 1 1 3 3 MET C C 13 177.926 0.000 . 1 . . . A 3 MET C . 18852 1
18 . 1 1 3 3 MET CA C 13 57.876 0.046 . 1 . . . A 3 MET CA . 18852 1
19 . 1 1 3 3 MET CB C 13 31.673 0.064 . 1 . . . A 3 MET CB . 18852 1
20 . 1 1 3 3 MET CG C 13 32.225 0.031 . 1 . . . A 3 MET CG . 18852 1
21 . 1 1 3 3 MET CE C 13 16.529 0.000 . 1 . . . A 3 MET CE . 18852 1
22 . 1 1 3 3 MET N N 15 117.814 0.040 . 1 . . . A 3 MET N . 18852 1
23 . 1 1 4 4 ALA H H 1 8.324 0.009 . 1 . . . A 4 ALA H . 18852 1
24 . 1 1 4 4 ALA HA H 1 4.228 0.014 . 1 . . . A 4 ALA HA . 18852 1
25 . 1 1 4 4 ALA HB1 H 1 1.537 0.006 . 1 . . . A 4 ALA HB1 . 18852 1
26 . 1 1 4 4 ALA HB2 H 1 1.537 0.006 . 1 . . . A 4 ALA HB2 . 18852 1
27 . 1 1 4 4 ALA HB3 H 1 1.537 0.006 . 1 . . . A 4 ALA HB3 . 18852 1
28 . 1 1 4 4 ALA C C 13 179.940 0.000 . 1 . . . A 4 ALA C . 18852 1
29 . 1 1 4 4 ALA CA C 13 54.689 0.045 . 1 . . . A 4 ALA CA . 18852 1
30 . 1 1 4 4 ALA CB C 13 18.025 0.066 . 1 . . . A 4 ALA CB . 18852 1
31 . 1 1 4 4 ALA N N 15 122.603 0.025 . 1 . . . A 4 ALA N . 18852 1
32 . 1 1 5 5 THR H H 1 7.966 0.010 . 1 . . . A 5 THR H . 18852 1
33 . 1 1 5 5 THR HA H 1 4.121 0.010 . 1 . . . A 5 THR HA . 18852 1
34 . 1 1 5 5 THR HB H 1 4.379 0.009 . 1 . . . A 5 THR HB . 18852 1
35 . 1 1 5 5 THR HG21 H 1 1.294 0.011 . 1 . . . A 5 THR HG21 . 18852 1
36 . 1 1 5 5 THR HG22 H 1 1.294 0.011 . 1 . . . A 5 THR HG22 . 18852 1
37 . 1 1 5 5 THR HG23 H 1 1.294 0.011 . 1 . . . A 5 THR HG23 . 18852 1
38 . 1 1 5 5 THR C C 13 176.085 0.000 . 1 . . . A 5 THR C . 18852 1
39 . 1 1 5 5 THR CA C 13 65.053 0.071 . 1 . . . A 5 THR CA . 18852 1
40 . 1 1 5 5 THR CB C 13 68.989 0.034 . 1 . . . A 5 THR CB . 18852 1
41 . 1 1 5 5 THR CG2 C 13 21.462 0.018 . 1 . . . A 5 THR CG2 . 18852 1
42 . 1 1 5 5 THR N N 15 112.671 0.060 . 1 . . . A 5 THR N . 18852 1
43 . 1 1 6 6 ARG H H 1 8.244 0.012 . 1 . . . A 6 ARG H . 18852 1
44 . 1 1 6 6 ARG HA H 1 4.057 0.015 . 1 . . . A 6 ARG HA . 18852 1
45 . 1 1 6 6 ARG HB2 H 1 2.016 0.014 . 1 . . . A 6 ARG HB2 . 18852 1
46 . 1 1 6 6 ARG HB3 H 1 2.016 0.014 . 1 . . . A 6 ARG HB3 . 18852 1
47 . 1 1 6 6 ARG HG2 H 1 1.667 0.017 . 1 . . . A 6 ARG HG2 . 18852 1
48 . 1 1 6 6 ARG HG3 H 1 1.667 0.017 . 1 . . . A 6 ARG HG3 . 18852 1
49 . 1 1 6 6 ARG HD2 H 1 3.219 0.014 . 1 . . . A 6 ARG HD2 . 18852 1
50 . 1 1 6 6 ARG HD3 H 1 3.219 0.014 . 1 . . . A 6 ARG HD3 . 18852 1
51 . 1 1 6 6 ARG C C 13 178.983 0.000 . 1 . . . A 6 ARG C . 18852 1
52 . 1 1 6 6 ARG CA C 13 59.963 0.028 . 1 . . . A 6 ARG CA . 18852 1
53 . 1 1 6 6 ARG CB C 13 29.853 0.000 . 1 . . . A 6 ARG CB . 18852 1
54 . 1 1 6 6 ARG CG C 13 27.621 0.024 . 1 . . . A 6 ARG CG . 18852 1
55 . 1 1 6 6 ARG N N 15 122.300 0.034 . 1 . . . A 6 ARG N . 18852 1
56 . 1 1 7 7 GLN H H 1 8.424 0.006 . 1 . . . A 7 GLN H . 18852 1
57 . 1 1 7 7 GLN HA H 1 4.058 0.012 . 1 . . . A 7 GLN HA . 18852 1
58 . 1 1 7 7 GLN HB2 H 1 2.163 0.011 . 2 . . . A 7 GLN HB2 . 18852 1
59 . 1 1 7 7 GLN HB3 H 1 2.186 0.020 . 2 . . . A 7 GLN HB3 . 18852 1
60 . 1 1 7 7 GLN HG2 H 1 2.463 0.009 . 2 . . . A 7 GLN HG2 . 18852 1
61 . 1 1 7 7 GLN HG3 H 1 2.464 0.009 . 2 . . . A 7 GLN HG3 . 18852 1
62 . 1 1 7 7 GLN HE21 H 1 6.838 0.008 . 1 . . . A 7 GLN HE21 . 18852 1
63 . 1 1 7 7 GLN HE22 H 1 7.391 0.009 . 1 . . . A 7 GLN HE22 . 18852 1
64 . 1 1 7 7 GLN C C 13 177.997 0.000 . 1 . . . A 7 GLN C . 18852 1
65 . 1 1 7 7 GLN CA C 13 58.735 0.075 . 1 . . . A 7 GLN CA . 18852 1
66 . 1 1 7 7 GLN CB C 13 28.188 0.063 . 1 . . . A 7 GLN CB . 18852 1
67 . 1 1 7 7 GLN CG C 13 33.626 0.004 . 1 . . . A 7 GLN CG . 18852 1
68 . 1 1 7 7 GLN N N 15 118.940 0.044 . 1 . . . A 7 GLN N . 18852 1
69 . 1 1 7 7 GLN NE2 N 15 111.382 0.036 . 1 . . . A 7 GLN NE2 . 18852 1
70 . 1 1 8 8 ALA H H 1 8.306 0.011 . 1 . . . A 8 ALA H . 18852 1
71 . 1 1 8 8 ALA HA H 1 4.217 0.012 . 1 . . . A 8 ALA HA . 18852 1
72 . 1 1 8 8 ALA HB1 H 1 1.589 0.016 . 1 . . . A 8 ALA HB1 . 18852 1
73 . 1 1 8 8 ALA HB2 H 1 1.589 0.016 . 1 . . . A 8 ALA HB2 . 18852 1
74 . 1 1 8 8 ALA HB3 H 1 1.589 0.016 . 1 . . . A 8 ALA HB3 . 18852 1
75 . 1 1 8 8 ALA C C 13 180.837 0.000 . 1 . . . A 8 ALA C . 18852 1
76 . 1 1 8 8 ALA CA C 13 55.319 0.037 . 1 . . . A 8 ALA CA . 18852 1
77 . 1 1 8 8 ALA CB C 13 17.695 0.064 . 1 . . . A 8 ALA CB . 18852 1
78 . 1 1 8 8 ALA N N 15 122.920 0.047 . 1 . . . A 8 ALA N . 18852 1
79 . 1 1 9 9 ARG H H 1 8.263 0.011 . 1 . . . A 9 ARG H . 18852 1
80 . 1 1 9 9 ARG HA H 1 4.050 0.014 . 1 . . . A 9 ARG HA . 18852 1
81 . 1 1 9 9 ARG HB2 H 1 1.880 0.021 . 2 . . . A 9 ARG HB2 . 18852 1
82 . 1 1 9 9 ARG HB3 H 1 2.001 0.010 . 2 . . . A 9 ARG HB3 . 18852 1
83 . 1 1 9 9 ARG HG2 H 1 1.644 0.010 . 1 . . . A 9 ARG HG2 . 18852 1
84 . 1 1 9 9 ARG HG3 H 1 1.644 0.010 . 1 . . . A 9 ARG HG3 . 18852 1
85 . 1 1 9 9 ARG HD2 H 1 3.205 0.005 . 2 . . . A 9 ARG HD2 . 18852 1
86 . 1 1 9 9 ARG HD3 H 1 3.206 0.005 . 2 . . . A 9 ARG HD3 . 18852 1
87 . 1 1 9 9 ARG C C 13 178.843 0.000 . 1 . . . A 9 ARG C . 18852 1
88 . 1 1 9 9 ARG CA C 13 59.721 0.045 . 1 . . . A 9 ARG CA . 18852 1
89 . 1 1 9 9 ARG CB C 13 30.168 0.032 . 1 . . . A 9 ARG CB . 18852 1
90 . 1 1 9 9 ARG CG C 13 30.021 0.000 . 1 . . . A 9 ARG CG . 18852 1
91 . 1 1 9 9 ARG CD C 13 43.393 0.017 . 1 . . . A 9 ARG CD . 18852 1
92 . 1 1 9 9 ARG N N 15 118.721 0.031 . 1 . . . A 9 ARG N . 18852 1
93 . 1 1 10 10 ARG H H 1 8.251 0.008 . 1 . . . A 10 ARG H . 18852 1
94 . 1 1 10 10 ARG HA H 1 4.074 0.014 . 1 . . . A 10 ARG HA . 18852 1
95 . 1 1 10 10 ARG HB2 H 1 2.009 0.014 . 1 . . . A 10 ARG HB2 . 18852 1
96 . 1 1 10 10 ARG HB3 H 1 2.009 0.014 . 1 . . . A 10 ARG HB3 . 18852 1
97 . 1 1 10 10 ARG HG2 H 1 1.657 0.010 . 1 . . . A 10 ARG HG2 . 18852 1
98 . 1 1 10 10 ARG HG3 H 1 1.657 0.010 . 1 . . . A 10 ARG HG3 . 18852 1
99 . 1 1 10 10 ARG HD2 H 1 3.208 0.012 . 2 . . . A 10 ARG HD2 . 18852 1
100 . 1 1 10 10 ARG HD3 H 1 3.212 0.011 . 2 . . . A 10 ARG HD3 . 18852 1
101 . 1 1 10 10 ARG C C 13 179.024 0.000 . 1 . . . A 10 ARG C . 18852 1
102 . 1 1 10 10 ARG CA C 13 59.542 0.041 . 1 . . . A 10 ARG CA . 18852 1
103 . 1 1 10 10 ARG CB C 13 29.904 0.042 . 1 . . . A 10 ARG CB . 18852 1
104 . 1 1 10 10 ARG CG C 13 26.968 0.000 . 1 . . . A 10 ARG CG . 18852 1
105 . 1 1 10 10 ARG CD C 13 43.379 0.063 . 1 . . . A 10 ARG CD . 18852 1
106 . 1 1 10 10 ARG N N 15 120.338 0.044 . 1 . . . A 10 ARG N . 18852 1
107 . 1 1 11 11 ASN H H 1 8.551 0.006 . 1 . . . A 11 ASN H . 18852 1
108 . 1 1 11 11 ASN HA H 1 4.543 0.016 . 1 . . . A 11 ASN HA . 18852 1
109 . 1 1 11 11 ASN HB2 H 1 3.022 0.013 . 2 . . . A 11 ASN HB2 . 18852 1
110 . 1 1 11 11 ASN HB3 H 1 2.886 0.010 . 2 . . . A 11 ASN HB3 . 18852 1
111 . 1 1 11 11 ASN HD21 H 1 6.947 0.008 . 1 . . . A 11 ASN HD21 . 18852 1
112 . 1 1 11 11 ASN HD22 H 1 7.662 0.007 . 1 . . . A 11 ASN HD22 . 18852 1
113 . 1 1 11 11 ASN C C 13 177.279 0.000 . 1 . . . A 11 ASN C . 18852 1
114 . 1 1 11 11 ASN CA C 13 55.979 0.048 . 1 . . . A 11 ASN CA . 18852 1
115 . 1 1 11 11 ASN CB C 13 37.983 0.104 . 1 . . . A 11 ASN CB . 18852 1
116 . 1 1 11 11 ASN N N 15 118.863 0.026 . 1 . . . A 11 ASN N . 18852 1
117 . 1 1 11 11 ASN ND2 N 15 111.260 0.040 . 1 . . . A 11 ASN ND2 . 18852 1
118 . 1 1 12 12 ARG H H 1 8.253 0.008 . 1 . . . A 12 ARG H . 18852 1
119 . 1 1 12 12 ARG HA H 1 4.079 0.020 . 1 . . . A 12 ARG HA . 18852 1
120 . 1 1 12 12 ARG HB2 H 1 2.018 0.015 . 2 . . . A 12 ARG HB2 . 18852 1
121 . 1 1 12 12 ARG HB3 H 1 2.016 0.014 . 2 . . . A 12 ARG HB3 . 18852 1
122 . 1 1 12 12 ARG HG2 H 1 1.656 0.012 . 1 . . . A 12 ARG HG2 . 18852 1
123 . 1 1 12 12 ARG HG3 H 1 1.656 0.012 . 1 . . . A 12 ARG HG3 . 18852 1
124 . 1 1 12 12 ARG HD2 H 1 3.212 0.011 . 2 . . . A 12 ARG HD2 . 18852 1
125 . 1 1 12 12 ARG HD3 H 1 3.209 0.012 . 2 . . . A 12 ARG HD3 . 18852 1
126 . 1 1 12 12 ARG C C 13 178.488 0.000 . 1 . . . A 12 ARG C . 18852 1
127 . 1 1 12 12 ARG CA C 13 59.787 0.052 . 1 . . . A 12 ARG CA . 18852 1
128 . 1 1 12 12 ARG CB C 13 29.937 0.000 . 1 . . . A 12 ARG CB . 18852 1
129 . 1 1 12 12 ARG CD C 13 43.215 0.000 . 1 . . . A 12 ARG CD . 18852 1
130 . 1 1 12 12 ARG N N 15 120.917 0.037 . 1 . . . A 12 ARG N . 18852 1
131 . 1 1 13 13 ARG H H 1 8.167 0.006 . 1 . . . A 13 ARG H . 18852 1
132 . 1 1 13 13 ARG HA H 1 4.189 0.015 . 1 . . . A 13 ARG HA . 18852 1
133 . 1 1 13 13 ARG HB2 H 1 2.035 0.019 . 1 . . . A 13 ARG HB2 . 18852 1
134 . 1 1 13 13 ARG HB3 H 1 2.036 0.018 . 1 . . . A 13 ARG HB3 . 18852 1
135 . 1 1 13 13 ARG HG2 H 1 1.688 0.011 . 2 . . . A 13 ARG HG2 . 18852 1
136 . 1 1 13 13 ARG HG3 H 1 1.683 0.016 . 2 . . . A 13 ARG HG3 . 18852 1
137 . 1 1 13 13 ARG HD2 H 1 3.227 0.016 . 2 . . . A 13 ARG HD2 . 18852 1
138 . 1 1 13 13 ARG HD3 H 1 3.223 0.016 . 2 . . . A 13 ARG HD3 . 18852 1
139 . 1 1 13 13 ARG C C 13 178.479 0.000 . 1 . . . A 13 ARG C . 18852 1
140 . 1 1 13 13 ARG CA C 13 59.572 0.050 . 1 . . . A 13 ARG CA . 18852 1
141 . 1 1 13 13 ARG CB C 13 30.067 0.023 . 1 . . . A 13 ARG CB . 18852 1
142 . 1 1 13 13 ARG CG C 13 27.631 0.023 . 1 . . . A 13 ARG CG . 18852 1
143 . 1 1 13 13 ARG N N 15 119.263 0.038 . 1 . . . A 13 ARG N . 18852 1
144 . 1 1 14 14 ARG H H 1 8.285 0.010 . 1 . . . A 14 ARG H . 18852 1
145 . 1 1 14 14 ARG HA H 1 4.141 0.018 . 1 . . . A 14 ARG HA . 18852 1
146 . 1 1 14 14 ARG HB2 H 1 2.047 0.018 . 1 . . . A 14 ARG HB2 . 18852 1
147 . 1 1 14 14 ARG HB3 H 1 2.047 0.018 . 1 . . . A 14 ARG HB3 . 18852 1
148 . 1 1 14 14 ARG HG2 H 1 1.694 0.008 . 1 . . . A 14 ARG HG2 . 18852 1
149 . 1 1 14 14 ARG HG3 H 1 1.694 0.008 . 1 . . . A 14 ARG HG3 . 18852 1
150 . 1 1 14 14 ARG HD2 H 1 3.246 0.008 . 1 . . . A 14 ARG HD2 . 18852 1
151 . 1 1 14 14 ARG HD3 H 1 3.246 0.008 . 1 . . . A 14 ARG HD3 . 18852 1
152 . 1 1 14 14 ARG C C 13 178.817 0.000 . 1 . . . A 14 ARG C . 18852 1
153 . 1 1 14 14 ARG CA C 13 59.695 0.020 . 1 . . . A 14 ARG CA . 18852 1
154 . 1 1 14 14 ARG CB C 13 29.812 0.018 . 1 . . . A 14 ARG CB . 18852 1
155 . 1 1 14 14 ARG CG C 13 27.631 0.019 . 1 . . . A 14 ARG CG . 18852 1
156 . 1 1 14 14 ARG N N 15 119.756 0.051 . 1 . . . A 14 ARG N . 18852 1
157 . 1 1 15 15 ARG H H 1 8.278 0.006 . 1 . . . A 15 ARG H . 18852 1
158 . 1 1 15 15 ARG HA H 1 4.158 0.018 . 1 . . . A 15 ARG HA . 18852 1
159 . 1 1 15 15 ARG HB2 H 1 2.009 0.010 . 2 . . . A 15 ARG HB2 . 18852 1
160 . 1 1 15 15 ARG HB3 H 1 2.019 0.017 . 2 . . . A 15 ARG HB3 . 18852 1
161 . 1 1 15 15 ARG HG2 H 1 1.704 0.019 . 1 . . . A 15 ARG HG2 . 18852 1
162 . 1 1 15 15 ARG HG3 H 1 1.704 0.019 . 1 . . . A 15 ARG HG3 . 18852 1
163 . 1 1 15 15 ARG HD2 H 1 3.232 0.017 . 2 . . . A 15 ARG HD2 . 18852 1
164 . 1 1 15 15 ARG HD3 H 1 3.236 0.015 . 2 . . . A 15 ARG HD3 . 18852 1
165 . 1 1 15 15 ARG C C 13 178.909 0.000 . 1 . . . A 15 ARG C . 18852 1
166 . 1 1 15 15 ARG CA C 13 59.233 0.027 . 1 . . . A 15 ARG CA . 18852 1
167 . 1 1 15 15 ARG CB C 13 29.772 0.012 . 1 . . . A 15 ARG CB . 18852 1
168 . 1 1 15 15 ARG CG C 13 27.631 0.023 . 1 . . . A 15 ARG CG . 18852 1
169 . 1 1 15 15 ARG CD C 13 43.418 0.000 . 1 . . . A 15 ARG CD . 18852 1
170 . 1 1 15 15 ARG N N 15 119.026 0.041 . 1 . . . A 15 ARG N . 18852 1
171 . 1 1 16 16 TRP H H 1 8.464 0.007 . 1 . . . A 16 TRP H . 18852 1
172 . 1 1 16 16 TRP HA H 1 4.389 0.021 . 1 . . . A 16 TRP HA . 18852 1
173 . 1 1 16 16 TRP HB2 H 1 3.558 0.014 . 2 . . . A 16 TRP HB2 . 18852 1
174 . 1 1 16 16 TRP HB3 H 1 3.441 0.013 . 2 . . . A 16 TRP HB3 . 18852 1
175 . 1 1 16 16 TRP HD1 H 1 7.228 0.012 . 1 . . . A 16 TRP HD1 . 18852 1
176 . 1 1 16 16 TRP HE1 H 1 9.999 0.008 . 1 . . . A 16 TRP HE1 . 18852 1
177 . 1 1 16 16 TRP HE3 H 1 7.232 0.015 . 1 . . . A 16 TRP HE3 . 18852 1
178 . 1 1 16 16 TRP HZ2 H 1 7.440 0.011 . 1 . . . A 16 TRP HZ2 . 18852 1
179 . 1 1 16 16 TRP HZ3 H 1 7.198 0.000 . 1 . . . A 16 TRP HZ3 . 18852 1
180 . 1 1 16 16 TRP C C 13 178.621 0.000 . 1 . . . A 16 TRP C . 18852 1
181 . 1 1 16 16 TRP CA C 13 61.013 0.041 . 1 . . . A 16 TRP CA . 18852 1
182 . 1 1 16 16 TRP CB C 13 28.796 0.046 . 1 . . . A 16 TRP CB . 18852 1
183 . 1 1 16 16 TRP CD1 C 13 74.463 0.000 . 1 . . . A 16 TRP CD1 . 18852 1
184 . 1 1 16 16 TRP CE3 C 13 70.440 0.000 . 1 . . . A 16 TRP CE3 . 18852 1
185 . 1 1 16 16 TRP CZ2 C 13 62.373 0.000 . 1 . . . A 16 TRP CZ2 . 18852 1
186 . 1 1 16 16 TRP CZ3 C 13 72.397 0.000 . 1 . . . A 16 TRP CZ3 . 18852 1
187 . 1 1 16 16 TRP N N 15 121.055 0.035 . 1 . . . A 16 TRP N . 18852 1
188 . 1 1 16 16 TRP NE1 N 15 128.133 0.000 . 1 . . . A 16 TRP NE1 . 18852 1
189 . 1 1 17 17 ARG H H 1 8.537 0.008 . 1 . . . A 17 ARG H . 18852 1
190 . 1 1 17 17 ARG HA H 1 3.910 0.011 . 1 . . . A 17 ARG HA . 18852 1
191 . 1 1 17 17 ARG HB2 H 1 1.994 0.020 . 2 . . . A 17 ARG HB2 . 18852 1
192 . 1 1 17 17 ARG HB3 H 1 2.041 0.012 . 2 . . . A 17 ARG HB3 . 18852 1
193 . 1 1 17 17 ARG HG2 H 1 1.719 0.013 . 1 . . . A 17 ARG HG2 . 18852 1
194 . 1 1 17 17 ARG HG3 H 1 1.719 0.013 . 1 . . . A 17 ARG HG3 . 18852 1
195 . 1 1 17 17 ARG HD2 H 1 3.247 0.012 . 2 . . . A 17 ARG HD2 . 18852 1
196 . 1 1 17 17 ARG HD3 H 1 3.245 0.012 . 2 . . . A 17 ARG HD3 . 18852 1
197 . 1 1 17 17 ARG C C 13 179.120 0.000 . 1 . . . A 17 ARG C . 18852 1
198 . 1 1 17 17 ARG CA C 13 59.627 0.070 . 1 . . . A 17 ARG CA . 18852 1
199 . 1 1 17 17 ARG CB C 13 29.907 0.000 . 1 . . . A 17 ARG CB . 18852 1
200 . 1 1 17 17 ARG CG C 13 27.631 0.023 . 1 . . . A 17 ARG CG . 18852 1
201 . 1 1 17 17 ARG CD C 13 43.510 0.000 . 1 . . . A 17 ARG CD . 18852 1
202 . 1 1 17 17 ARG N N 15 119.474 0.026 . 1 . . . A 17 ARG N . 18852 1
203 . 1 1 18 18 GLU H H 1 8.346 0.007 . 1 . . . A 18 GLU H . 18852 1
204 . 1 1 18 18 GLU HA H 1 4.061 0.017 . 1 . . . A 18 GLU HA . 18852 1
205 . 1 1 18 18 GLU HB2 H 1 2.124 0.011 . 2 . . . A 18 GLU HB2 . 18852 1
206 . 1 1 18 18 GLU HB3 H 1 2.220 0.013 . 2 . . . A 18 GLU HB3 . 18852 1
207 . 1 1 18 18 GLU HG2 H 1 2.371 0.011 . 2 . . . A 18 GLU HG2 . 18852 1
208 . 1 1 18 18 GLU HG3 H 1 2.488 0.009 . 2 . . . A 18 GLU HG3 . 18852 1
209 . 1 1 18 18 GLU C C 13 179.163 0.000 . 1 . . . A 18 GLU C . 18852 1
210 . 1 1 18 18 GLU CA C 13 59.138 0.038 . 1 . . . A 18 GLU CA . 18852 1
211 . 1 1 18 18 GLU CB C 13 29.135 0.084 . 1 . . . A 18 GLU CB . 18852 1
212 . 1 1 18 18 GLU CG C 13 36.128 0.090 . 1 . . . A 18 GLU CG . 18852 1
213 . 1 1 18 18 GLU N N 15 119.223 0.031 . 1 . . . A 18 GLU N . 18852 1
214 . 1 1 19 19 ARG H H 1 8.104 0.009 . 1 . . . A 19 ARG H . 18852 1
215 . 1 1 19 19 ARG HA H 1 4.046 0.018 . 1 . . . A 19 ARG HA . 18852 1
216 . 1 1 19 19 ARG HB2 H 1 1.800 0.006 . 2 . . . A 19 ARG HB2 . 18852 1
217 . 1 1 19 19 ARG HB3 H 1 1.923 0.008 . 2 . . . A 19 ARG HB3 . 18852 1
218 . 1 1 19 19 ARG HG2 H 1 1.630 0.012 . 2 . . . A 19 ARG HG2 . 18852 1
219 . 1 1 19 19 ARG HG3 H 1 1.627 0.011 . 2 . . . A 19 ARG HG3 . 18852 1
220 . 1 1 19 19 ARG HD2 H 1 3.199 0.003 . 1 . . . A 19 ARG HD2 . 18852 1
221 . 1 1 19 19 ARG HD3 H 1 3.199 0.003 . 1 . . . A 19 ARG HD3 . 18852 1
222 . 1 1 19 19 ARG C C 13 178.634 0.000 . 1 . . . A 19 ARG C . 18852 1
223 . 1 1 19 19 ARG CA C 13 59.016 0.048 . 1 . . . A 19 ARG CA . 18852 1
224 . 1 1 19 19 ARG CB C 13 29.371 0.108 . 1 . . . A 19 ARG CB . 18852 1
225 . 1 1 19 19 ARG CG C 13 28.006 0.000 . 1 . . . A 19 ARG CG . 18852 1
226 . 1 1 19 19 ARG N N 15 119.942 0.037 . 1 . . . A 19 ARG N . 18852 1
227 . 1 1 20 20 GLN H H 1 8.044 0.008 . 1 . . . A 20 GLN H . 18852 1
228 . 1 1 20 20 GLN HA H 1 3.892 0.013 . 1 . . . A 20 GLN HA . 18852 1
229 . 1 1 20 20 GLN HB2 H 1 1.938 0.016 . 2 . . . A 20 GLN HB2 . 18852 1
230 . 1 1 20 20 GLN HB3 H 1 1.917 0.017 . 2 . . . A 20 GLN HB3 . 18852 1
231 . 1 1 20 20 GLN HG2 H 1 1.906 0.009 . 2 . . . A 20 GLN HG2 . 18852 1
232 . 1 1 20 20 GLN HG3 H 1 1.909 0.011 . 2 . . . A 20 GLN HG3 . 18852 1
233 . 1 1 20 20 GLN HE21 H 1 6.317 0.010 . 1 . . . A 20 GLN HE21 . 18852 1
234 . 1 1 20 20 GLN HE22 H 1 6.469 0.006 . 1 . . . A 20 GLN HE22 . 18852 1
235 . 1 1 20 20 GLN C C 13 178.465 0.000 . 1 . . . A 20 GLN C . 18852 1
236 . 1 1 20 20 GLN CA C 13 58.170 0.044 . 1 . . . A 20 GLN CA . 18852 1
237 . 1 1 20 20 GLN CB C 13 28.113 0.075 . 1 . . . A 20 GLN CB . 18852 1
238 . 1 1 20 20 GLN CG C 13 33.168 0.027 . 1 . . . A 20 GLN CG . 18852 1
239 . 1 1 20 20 GLN N N 15 118.373 0.029 . 1 . . . A 20 GLN N . 18852 1
240 . 1 1 20 20 GLN NE2 N 15 109.598 0.033 . 1 . . . A 20 GLN NE2 . 18852 1
241 . 1 1 21 21 ARG H H 1 8.079 0.011 . 1 . . . A 21 ARG H . 18852 1
242 . 1 1 21 21 ARG HA H 1 4.034 0.013 . 1 . . . A 21 ARG HA . 18852 1
243 . 1 1 21 21 ARG HB2 H 1 1.797 0.011 . 2 . . . A 21 ARG HB2 . 18852 1
244 . 1 1 21 21 ARG HB3 H 1 1.926 0.016 . 2 . . . A 21 ARG HB3 . 18852 1
245 . 1 1 21 21 ARG HG2 H 1 1.630 0.012 . 2 . . . A 21 ARG HG2 . 18852 1
246 . 1 1 21 21 ARG HG3 H 1 1.629 0.012 . 2 . . . A 21 ARG HG3 . 18852 1
247 . 1 1 21 21 ARG HD2 H 1 3.199 0.007 . 1 . . . A 21 ARG HD2 . 18852 1
248 . 1 1 21 21 ARG HD3 H 1 3.199 0.007 . 1 . . . A 21 ARG HD3 . 18852 1
249 . 1 1 21 21 ARG C C 13 178.423 0.000 . 1 . . . A 21 ARG C . 18852 1
250 . 1 1 21 21 ARG CA C 13 58.765 0.014 . 1 . . . A 21 ARG CA . 18852 1
251 . 1 1 21 21 ARG CB C 13 29.676 0.016 . 1 . . . A 21 ARG CB . 18852 1
252 . 1 1 21 21 ARG CG C 13 27.041 0.000 . 1 . . . A 21 ARG CG . 18852 1
253 . 1 1 21 21 ARG CD C 13 43.209 0.000 . 1 . . . A 21 ARG CD . 18852 1
254 . 1 1 21 21 ARG N N 15 119.374 0.033 . 1 . . . A 21 ARG N . 18852 1
255 . 1 1 22 22 ALA H H 1 8.026 0.011 . 1 . . . A 22 ALA H . 18852 1
256 . 1 1 22 22 ALA HA H 1 4.146 0.009 . 1 . . . A 22 ALA HA . 18852 1
257 . 1 1 22 22 ALA HB1 H 1 1.476 0.018 . 1 . . . A 22 ALA HB1 . 18852 1
258 . 1 1 22 22 ALA HB2 H 1 1.476 0.018 . 1 . . . A 22 ALA HB2 . 18852 1
259 . 1 1 22 22 ALA HB3 H 1 1.476 0.018 . 1 . . . A 22 ALA HB3 . 18852 1
260 . 1 1 22 22 ALA C C 13 179.577 0.000 . 1 . . . A 22 ALA C . 18852 1
261 . 1 1 22 22 ALA CA C 13 54.267 0.041 . 1 . . . A 22 ALA CA . 18852 1
262 . 1 1 22 22 ALA CB C 13 17.831 0.053 . 1 . . . A 22 ALA CB . 18852 1
263 . 1 1 22 22 ALA N N 15 121.393 0.023 . 1 . . . A 22 ALA N . 18852 1
264 . 1 1 23 23 ALA H H 1 7.938 0.007 . 1 . . . A 23 ALA H . 18852 1
265 . 1 1 23 23 ALA HA H 1 4.158 0.011 . 1 . . . A 23 ALA HA . 18852 1
266 . 1 1 23 23 ALA HB1 H 1 1.463 0.014 . 1 . . . A 23 ALA HB1 . 18852 1
267 . 1 1 23 23 ALA HB2 H 1 1.463 0.014 . 1 . . . A 23 ALA HB2 . 18852 1
268 . 1 1 23 23 ALA HB3 H 1 1.463 0.014 . 1 . . . A 23 ALA HB3 . 18852 1
269 . 1 1 23 23 ALA C C 13 178.616 0.000 . 1 . . . A 23 ALA C . 18852 1
270 . 1 1 23 23 ALA CA C 13 53.714 0.035 . 1 . . . A 23 ALA CA . 18852 1
271 . 1 1 23 23 ALA CB C 13 18.045 0.021 . 1 . . . A 23 ALA CB . 18852 1
272 . 1 1 23 23 ALA N N 15 119.867 0.032 . 1 . . . A 23 ALA N . 18852 1
273 . 1 1 24 24 ALA H H 1 7.693 0.011 . 1 . . . A 24 ALA H . 18852 1
274 . 1 1 24 24 ALA HA H 1 4.291 0.011 . 1 . . . A 24 ALA HA . 18852 1
275 . 1 1 24 24 ALA HB1 H 1 1.472 0.014 . 1 . . . A 24 ALA HB1 . 18852 1
276 . 1 1 24 24 ALA HB2 H 1 1.472 0.014 . 1 . . . A 24 ALA HB2 . 18852 1
277 . 1 1 24 24 ALA HB3 H 1 1.472 0.014 . 1 . . . A 24 ALA HB3 . 18852 1
278 . 1 1 24 24 ALA C C 13 177.528 0.000 . 1 . . . A 24 ALA C . 18852 1
279 . 1 1 24 24 ALA CA C 13 52.706 0.049 . 1 . . . A 24 ALA CA . 18852 1
280 . 1 1 24 24 ALA CB C 13 18.591 0.030 . 1 . . . A 24 ALA CB . 18852 1
281 . 1 1 24 24 ALA N N 15 119.652 0.022 . 1 . . . A 24 ALA N . 18852 1
282 . 1 1 25 25 ALA H H 1 7.679 0.006 . 1 . . . A 25 ALA H . 18852 1
283 . 1 1 25 25 ALA HA H 1 4.329 0.014 . 1 . . . A 25 ALA HA . 18852 1
284 . 1 1 25 25 ALA HB1 H 1 1.468 0.009 . 1 . . . A 25 ALA HB1 . 18852 1
285 . 1 1 25 25 ALA HB2 H 1 1.468 0.009 . 1 . . . A 25 ALA HB2 . 18852 1
286 . 1 1 25 25 ALA HB3 H 1 1.468 0.009 . 1 . . . A 25 ALA HB3 . 18852 1
287 . 1 1 25 25 ALA C C 13 176.649 0.000 . 1 . . . A 25 ALA C . 18852 1
288 . 1 1 25 25 ALA CA C 13 52.566 0.046 . 1 . . . A 25 ALA CA . 18852 1
289 . 1 1 25 25 ALA CB C 13 18.630 0.030 . 1 . . . A 25 ALA CB . 18852 1
290 . 1 1 25 25 ALA N N 15 121.574 0.028 . 1 . . . A 25 ALA N . 18852 1
291 . 1 1 26 26 ARG H H 1 7.582 0.008 . 1 . . . A 26 ARG H . 18852 1
292 . 1 1 26 26 ARG HA H 1 4.185 0.010 . 1 . . . A 26 ARG HA . 18852 1
293 . 1 1 26 26 ARG HB2 H 1 1.777 0.010 . 2 . . . A 26 ARG HB2 . 18852 1
294 . 1 1 26 26 ARG HB3 H 1 1.895 0.011 . 2 . . . A 26 ARG HB3 . 18852 1
295 . 1 1 26 26 ARG HG2 H 1 1.661 0.011 . 2 . . . A 26 ARG HG2 . 18852 1
296 . 1 1 26 26 ARG HG3 H 1 1.662 0.011 . 2 . . . A 26 ARG HG3 . 18852 1
297 . 1 1 26 26 ARG HD2 H 1 3.216 0.011 . 2 . . . A 26 ARG HD2 . 18852 1
298 . 1 1 26 26 ARG HD3 H 1 3.212 0.006 . 2 . . . A 26 ARG HD3 . 18852 1
299 . 1 1 26 26 ARG CA C 13 57.374 0.024 . 1 . . . A 26 ARG CA . 18852 1
300 . 1 1 26 26 ARG CB C 13 31.569 0.053 . 1 . . . A 26 ARG CB . 18852 1
301 . 1 1 26 26 ARG CG C 13 26.960 0.016 . 1 . . . A 26 ARG CG . 18852 1
302 . 1 1 26 26 ARG N N 15 124.295 0.020 . 1 . . . A 26 ARG N . 18852 1
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