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 52217
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chemical_shifts
_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 '2D 1H-15N HSQC' . . . 52217 1
2 '2D 1H-1H TOCSY' . . . 52217 1
3 '2D 1H-1H NOESY' . . . 52217 1
4 '2D 1H-13C HSQC' . . . 52217 1
5 '2D 1H-13C HMBC' . . . 52217 1
6 '2D 1H-13C HSQC-TOCSY' . . . 52217 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 . . 52217 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 ASP HA H 1 4.146998934 0.001032832105 . . . . . . . 86 ASP HA . 52217 1
2 . 1 . 1 1 1 ASP HB2 H 1 2.743779417 0.0004920594781 . . . . . . . 86 ASP HB# . 52217 1
3 . 1 . 1 1 1 ASP HB3 H 1 2.743779417 0.0004920594781 . . . . . . . 86 ASP HB# . 52217 1
4 . 1 . 1 1 1 ASP C C 13 172.7617481 0.006911441935 . . . . . . . 86 ASP C . 52217 1
5 . 1 . 1 1 1 ASP CA C 13 53.17523963 0.03182549755 . . . . . . . 86 ASP CA . 52217 1
6 . 1 . 1 1 1 ASP CB C 13 39.76859271 0.01499806095 . . . . . . . 86 ASP CB . 52217 1
7 . 1 . 1 1 1 ASP CG C 13 178.1869012 0.007554631367 . . . . . . . 86 ASP CG . 52217 1
8 . 1 . 1 2 2 LEU H H 1 8.630298204 0.001078174605 . . . . . . . 87 LEU H . 52217 1
9 . 1 . 1 2 2 LEU HA H 1 4.235631201 0.004234687737 . . . . . . . 87 LEU HA . 52217 1
10 . 1 . 1 2 2 LEU HB2 H 1 1.53293835 0.000083626 . . . . . . . 87 LEU HB# . 52217 1
11 . 1 . 1 2 2 LEU HB3 H 1 1.53293835 0.000083626 . . . . . . . 87 LEU HB# . 52217 1
12 . 1 . 1 2 2 LEU HG H 1 1.452940925 0.0005734752159 . . . . . . . 87 LEU HG . 52217 1
13 . 1 . 1 2 2 LEU HD11 H 1 0.8223905307 0 . . . . . . . 87 LEU HD1# . 52217 1
14 . 1 . 1 2 2 LEU HD12 H 1 0.8223905307 0 . . . . . . . 87 LEU HD1# . 52217 1
15 . 1 . 1 2 2 LEU HD13 H 1 0.8223905307 0 . . . . . . . 87 LEU HD1# . 52217 1
16 . 1 . 1 2 2 LEU HD21 H 1 0.7878457672 0.000078 . . . . . . . 87 LEU HD2# . 52217 1
17 . 1 . 1 2 2 LEU HD22 H 1 0.7878457672 0.000078 . . . . . . . 87 LEU HD2# . 52217 1
18 . 1 . 1 2 2 LEU HD23 H 1 0.7878457672 0.000078 . . . . . . . 87 LEU HD2# . 52217 1
19 . 1 . 1 2 2 LEU C C 13 177.2067045 . . . . . . . . 87 LEU C . 52217 1
20 . 1 . 1 2 2 LEU CA C 13 55.9017706 0.002646376635 . . . . . . . 87 LEU CA . 52217 1
21 . 1 . 1 2 2 LEU CB C 13 42.09953083 0.007584362676 . . . . . . . 87 LEU CB . 52217 1
22 . 1 . 1 2 2 LEU CG C 13 27.02156365 0.000014 . . . . . . . 87 LEU CG . 52217 1
23 . 1 . 1 2 2 LEU CD1 C 13 24.76170858 0.00305149094 . . . . . . . 87 LEU CD1 . 52217 1
24 . 1 . 1 2 2 LEU CD2 C 13 23.59855675 0.003258390215 . . . . . . . 87 LEU CD2 . 52217 1
25 . 1 . 1 2 2 LEU N N 15 122.747125 0.005103773057 . . . . . . . 87 LEU N . 52217 1
26 . 1 . 1 3 3 ASN H H 1 8.360503063 0.002294873 . . . . . . . 88 ASN H . 52217 1
27 . 1 . 1 3 3 ASN HA H 1 4.501963016 0.01115644379 . . . . . . . 88 ASN HA . 52217 1
28 . 1 . 1 3 3 ASN HB2 H 1 2.695232514 0.007452914183 . . . . . . . 88 ASN HB# . 52217 1
29 . 1 . 1 3 3 ASN HB3 H 1 2.695232514 0.007452914183 . . . . . . . 88 ASN HB# . 52217 1
30 . 1 . 1 3 3 ASN HD21 H 1 6.850701013 0.002077064628 . . . . . . . 88 ASN HD21 . 52217 1
31 . 1 . 1 3 3 ASN HD22 H 1 7.584145474 . . . . . . . . 88 ASN HD22 . 52217 1
32 . 1 . 1 3 3 ASN C C 13 175.2754597 0.01090862275 . . . . . . . 88 ASN C . 52217 1
33 . 1 . 1 3 3 ASN CA C 13 53.65517429 0.03856895236 . . . . . . . 88 ASN CA . 52217 1
34 . 1 . 1 3 3 ASN CB C 13 38.65148584 0.02442902195 . . . . . . . 88 ASN CB . 52217 1
35 . 1 . 1 3 3 ASN CG C 13 177.0169756 0.01050211688 . . . . . . . 88 ASN CG . 52217 1
36 . 1 . 1 3 3 ASN N N 15 119.1933309 0.002188784985 . . . . . . . 88 ASN N . 52217 1
37 . 1 . 1 4 4 ALA H H 1 8.027522087 0.0005138620237 . . . . . . . 89 ALA H . 52217 1
38 . 1 . 1 4 4 ALA HA H 1 4.130464011 0.0031967919 . . . . . . . 89 ALA HA . 52217 1
39 . 1 . 1 4 4 ALA HB1 H 1 1.275452278 0.002617935068 . . . . . . . 89 ALA HB# . 52217 1
40 . 1 . 1 4 4 ALA HB2 H 1 1.275452278 0.002617935068 . . . . . . . 89 ALA HB# . 52217 1
41 . 1 . 1 4 4 ALA HB3 H 1 1.275452278 0.002617935068 . . . . . . . 89 ALA HB# . 52217 1
42 . 1 . 1 4 4 ALA C C 13 177.7604934 0.01863316223 . . . . . . . 89 ALA C . 52217 1
43 . 1 . 1 4 4 ALA CA C 13 52.99901833 0.09570200895 . . . . . . . 89 ALA CA . 52217 1
44 . 1 . 1 4 4 ALA CB C 13 19.02347957 0.0162151654 . . . . . . . 89 ALA CB . 52217 1
45 . 1 . 1 4 4 ALA N N 15 123.7777137 0.004833748863 . . . . . . . 89 ALA N . 52217 1
46 . 1 . 1 5 5 LEU H H 1 7.911984158 0.001064947746 . . . . . . . 90 LEU H . 52217 1
47 . 1 . 1 5 5 LEU HA H 1 4.143468896 0.001853243879 . . . . . . . 90 LEU HA . 52217 1
48 . 1 . 1 5 5 LEU HB2 H 1 1.372833359 0.0002875613343 . . . . . . . 90 LEU HB# . 52217 1
49 . 1 . 1 5 5 LEU HB3 H 1 1.372833359 0.0002875613343 . . . . . . . 90 LEU HB# . 52217 1
50 . 1 . 1 5 5 LEU HG H 1 1.465708181 0.0001029735728 . . . . . . . 90 LEU HG . 52217 1
51 . 1 . 1 5 5 LEU HD11 H 1 0.8074176918 0.0001452578435 . . . . . . . 90 LEU HD1# . 52217 1
52 . 1 . 1 5 5 LEU HD12 H 1 0.8074176918 0.0001452578435 . . . . . . . 90 LEU HD1# . 52217 1
53 . 1 . 1 5 5 LEU HD13 H 1 0.8074176918 0.0001452578435 . . . . . . . 90 LEU HD1# . 52217 1
54 . 1 . 1 5 5 LEU HD21 H 1 0.7332799912 0 . . . . . . . 90 LEU HD2# . 52217 1
55 . 1 . 1 5 5 LEU HD22 H 1 0.7332799912 0 . . . . . . . 90 LEU HD2# . 52217 1
56 . 1 . 1 5 5 LEU HD23 H 1 0.7332799912 0 . . . . . . . 90 LEU HD2# . 52217 1
57 . 1 . 1 5 5 LEU C C 13 175.8201083 . . . . . . . . 90 LEU C . 52217 1
58 . 1 . 1 5 5 LEU CA C 13 55.61232895 0 . . . . . . . 90 LEU CA . 52217 1
59 . 1 . 1 5 5 LEU CB C 13 42.10537878 0.01367157802 . . . . . . . 90 LEU CB . 52217 1
60 . 1 . 1 5 5 LEU CG C 13 27.04601085 0 . . . . . . . 90 LEU CG . 52217 1
61 . 1 . 1 5 5 LEU CD1 C 13 24.8699819 0.0007243796792 . . . . . . . 90 LEU CD1 . 52217 1
62 . 1 . 1 5 5 LEU CD2 C 13 23.34997441 0.002255197294 . . . . . . . 90 LEU CD2 . 52217 1
63 . 1 . 1 5 5 LEU N N 15 119.6752277 0.002608683312 . . . . . . . 90 LEU N . 52217 1
64 . 1 . 1 6 6 HIS H H 1 8.572136379 0.003699990018 . . . . . . . 91 HIS H . 52217 1
65 . 1 . 1 6 6 HIS HA H 1 4.283027028 0.004329108237 . . . . . . . 91 HIS HA . 52217 1
66 . 1 . 1 6 6 HIS HB2 H 1 3.154548764 0.003562256529 . . . . . . . 91 HIS HB2 . 52217 1
67 . 1 . 1 6 6 HIS HB3 H 1 3.069224173 0.004844880085 . . . . . . . 91 HIS HB3 . 52217 1
68 . 1 . 1 6 6 HIS C C 13 173.9570507 0.01031755116 . . . . . . . 91 HIS C . 52217 1
69 . 1 . 1 6 6 HIS CA C 13 55.02287119 0.05770964656 . . . . . . . 91 HIS CA . 52217 1
70 . 1 . 1 6 6 HIS CB C 13 28.84708706 0.04325077176 . . . . . . . 91 HIS CB . 52217 1
71 . 1 . 1 6 6 HIS CG C 13 130.9662651 0.0126965521 . . . . . . . 91 HIS CG . 52217 1
72 . 1 . 1 6 6 HIS CD2 C 13 120.0246949 0.005771160106 . . . . . . . 91 HIS CD2 . 52217 1
73 . 1 . 1 6 6 HIS N N 15 120.5814088 0.006093055882 . . . . . . . 91 HIS N . 52217 1
74 . 1 . 1 7 7 LYS H H 1 8.336527698 0.001521593232 . . . . . . . 92 LYS H . 52217 1
75 . 1 . 1 7 7 LYS HA H 1 4.249168032 0.0001891823726 . . . . . . . 92 LYS HA . 52217 1
76 . 1 . 1 7 7 LYS HB2 H 1 1.744172746 0.002820439415 . . . . . . . 92 LYS HB2 . 52217 1
77 . 1 . 1 7 7 LYS HB3 H 1 1.660091727 0.004305557947 . . . . . . . 92 LYS HB3 . 52217 1
78 . 1 . 1 7 7 LYS HG2 H 1 1.327509221 0.02212429088 . . . . . . . 92 LYS HG2 . 52217 1
79 . 1 . 1 7 7 LYS HG3 H 1 1.326290483 0.0008315607819 . . . . . . . 92 LYS HG3 . 52217 1
80 . 1 . 1 7 7 LYS HD2 H 1 1.576190809 0.002680886936 . . . . . . . 92 LYS HD2 . 52217 1
81 . 1 . 1 7 7 LYS HE2 H 1 2.883313688 0.000607594542 . . . . . . . 92 LYS HE# . 52217 1
82 . 1 . 1 7 7 LYS HE3 H 1 2.883313688 0.000607594542 . . . . . . . 92 LYS HE# . 52217 1
83 . 1 . 1 7 7 LYS C C 13 176.4336821 0.008937311829 . . . . . . . 92 LYS C . 52217 1
84 . 1 . 1 7 7 LYS CA C 13 56.45982554 0.1057110768 . . . . . . . 92 LYS CA . 52217 1
85 . 1 . 1 7 7 LYS CB C 13 33.06809436 0.03040432631 . . . . . . . 92 LYS CB . 52217 1
86 . 1 . 1 7 7 LYS CG C 13 24.69649014 0.02028053078 . . . . . . . 92 LYS CG . 52217 1
87 . 1 . 1 7 7 LYS CD C 13 29.05983808 0.01122973484 . . . . . . . 92 LYS CD . 52217 1
88 . 1 . 1 7 7 LYS CE C 13 42.07639479 0.001702209611 . . . . . . . 92 LYS CE . 52217 1
89 . 1 . 1 7 7 LYS N N 15 124.0146766 0.007578157876 . . . . . . . 92 LYS N . 52217 1
90 . 1 . 1 8 8 THR H H 1 8.223815205 0.002861803624 . . . . . . . 93 THR H . 52217 1
91 . 1 . 1 8 8 THR HA H 1 4.361601697 0.00922599093 . . . . . . . 93 THR HA . 52217 1
92 . 1 . 1 8 8 THR HB H 1 4.122634675 0.0004178496463 . . . . . . . 93 THR HB . 52217 1
93 . 1 . 1 8 8 THR HG21 H 1 1.112601913 0.0007285432178 . . . . . . . 93 THR HG2# . 52217 1
94 . 1 . 1 8 8 THR HG22 H 1 1.112601913 0.0007285432178 . . . . . . . 93 THR HG2# . 52217 1
95 . 1 . 1 8 8 THR HG23 H 1 1.112601913 0.0007285432178 . . . . . . . 93 THR HG2# . 52217 1
96 . 1 . 1 8 8 THR C C 13 176.6129817 . . . . . . . . 93 THR C . 52217 1
97 . 1 . 1 8 8 THR CA C 13 61.67703623 0.03649013253 . . . . . . . 93 THR CA . 52217 1
98 . 1 . 1 8 8 THR CB C 13 69.94214213 0.02318117575 . . . . . . . 93 THR CB . 52217 1
99 . 1 . 1 8 8 THR CG2 C 13 21.46416539 0.01472994327 . . . . . . . 93 THR CG2 . 52217 1
100 . 1 . 1 8 8 THR N N 15 118.3211247 0.005863144557 . . . . . . . 93 THR N . 52217 1
101 . 1 . 1 9 9 THR H H 1 8.19798408 0.003881200001 . . . . . . . 94 THR H . 52217 1
102 . 1 . 1 9 9 THR HA H 1 4.276700906 0.006897715612 . . . . . . . 94 THR HA . 52217 1
103 . 1 . 1 9 9 THR HB H 1 4.118155391 0.001710944482 . . . . . . . 94 THR HB . 52217 1
104 . 1 . 1 9 9 THR HG21 H 1 1.109988828 0.0008291895457 . . . . . . . 94 THR HG2# . 52217 1
105 . 1 . 1 9 9 THR HG22 H 1 1.109988828 0.0008291895457 . . . . . . . 94 THR HG2# . 52217 1
106 . 1 . 1 9 9 THR HG23 H 1 1.109988828 0.0008291895457 . . . . . . . 94 THR HG2# . 52217 1
107 . 1 . 1 9 9 THR C C 13 174.4755437 0.03647897717 . . . . . . . 94 THR C . 52217 1
108 . 1 . 1 9 9 THR CA C 13 61.75543216 0.03221590795 . . . . . . . 94 THR CA . 52217 1
109 . 1 . 1 9 9 THR CB C 13 69.93947637 0.01845361512 . . . . . . . 94 THR CB . 52217 1
110 . 1 . 1 9 9 THR CG2 C 13 21.59222573 0.0125572213 . . . . . . . 94 THR CG2 . 52217 1
111 . 1 . 1 9 9 THR N N 15 117.2142196 0.002129283748 . . . . . . . 94 THR N . 52217 1
112 . 1 . 1 10 10 LYS H H 1 8.211189164 0.001239018541 . . . . . . . 95 LYS H . 52217 1
113 . 1 . 1 10 10 LYS HA H 1 4.274143929 0.001508896698 . . . . . . . 95 LYS HA . 52217 1
114 . 1 . 1 10 10 LYS HB2 H 1 1.662169607 0.0002875913124 . . . . . . . 95 LYS HB2 . 52217 1
115 . 1 . 1 10 10 LYS HB3 H 1 1.746360508 0.0005511120952 . . . . . . . 95 LYS HB3 . 52217 1
116 . 1 . 1 10 10 LYS HG2 H 1 1.311405225 0.0002124988816 . . . . . . . 95 LYS HG2 . 52217 1
117 . 1 . 1 10 10 LYS HG3 H 1 1.355461149 0.008181200245 . . . . . . . 95 LYS HG3 . 52217 1
118 . 1 . 1 10 10 LYS HD2 H 1 1.652917512 0 . . . . . . . 95 LYS HD1 . 52217 1
119 . 1 . 1 10 10 LYS HD3 H 1 1.614188555 0.03273730796 . . . . . . . 95 LYS HD2 . 52217 1
120 . 1 . 1 10 10 LYS HE2 H 1 2.880119151 0 . . . . . . . 95 LYS HE# . 52217 1
121 . 1 . 1 10 10 LYS HE3 H 1 2.880119151 0 . . . . . . . 95 LYS HE# . 52217 1
122 . 1 . 1 10 10 LYS C C 13 174.5510449 . . . . . . . . 95 LYS C . 52217 1
123 . 1 . 1 10 10 LYS CA C 13 55.10351973 0.01058475019 . . . . . . . 95 LYS CA . 52217 1
124 . 1 . 1 10 10 LYS CB C 13 33.19382875 0.006362137308 . . . . . . . 95 LYS CB . 52217 1
125 . 1 . 1 10 10 LYS CG C 13 24.77603833 0.02230465005 . . . . . . . 95 LYS CG . 52217 1
126 . 1 . 1 10 10 LYS CD C 13 30.8626261 0.01112421665 . . . . . . . 95 LYS CD . 52217 1
127 . 1 . 1 10 10 LYS N N 15 122.656666 0.007669988166 . . . . . . . 95 LYS N . 52217 1
128 . 1 . 1 11 11 SER H H 1 8.263499845 0.00341807715 . . . . . . . 96 SER H . 52217 1
129 . 1 . 1 11 11 SER HA H 1 4.330739706 0.01001466756 . . . . . . . 96 SER HA . 52217 1
130 . 1 . 1 11 11 SER HB2 H 1 3.766981789 0.004489761382 . . . . . . . 96 SER HB# . 52217 1
131 . 1 . 1 11 11 SER HB3 H 1 3.766981789 0.004489761382 . . . . . . . 96 SER HB# . 52217 1
132 . 1 . 1 11 11 SER C C 13 174.2646187 0.004481409274 . . . . . . . 96 SER C . 52217 1
133 . 1 . 1 11 11 SER CA C 13 58.32812277 0.0461128195 . . . . . . . 96 SER CA . 52217 1
134 . 1 . 1 11 11 SER CB C 13 63.75692197 0.01683217509 . . . . . . . 96 SER CB . 52217 1
135 . 1 . 1 11 11 SER N N 15 117.1807749 0.003972692885 . . . . . . . 96 SER N . 52217 1
136 . 1 . 1 12 12 GLN H H 1 8.342600465 0.002400669666 . . . . . . . 97 GLN H . 52217 1
137 . 1 . 1 12 12 GLN HA H 1 4.2592126 0.001314789004 . . . . . . . 97 GLN HA . 52217 1
138 . 1 . 1 12 12 GLN HB2 H 1 1.996588743 0.001657066874 . . . . . . . 97 GLN HB2 . 52217 1
139 . 1 . 1 12 12 GLN HB3 H 1 1.851519409 0.001106587404 . . . . . . . 97 GLN HB3 . 52217 1
140 . 1 . 1 12 12 GLN HG2 H 1 2.25340213 0.001695705138 . . . . . . . 97 GLN HG# . 52217 1
141 . 1 . 1 12 12 GLN HG3 H 1 2.25340213 0.001695705138 . . . . . . . 97 GLN HG# . 52217 1
142 . 1 . 1 12 12 GLN C C 13 175.3294434 0.04175720185 . . . . . . . 97 GLN C . 52217 1
143 . 1 . 1 12 12 GLN CA C 13 55.56599377 0.0312865038 . . . . . . . 97 GLN CA . 52217 1
144 . 1 . 1 12 12 GLN CB C 13 29.55619247 0.03130887806 . . . . . . . 97 GLN CB . 52217 1
145 . 1 . 1 12 12 GLN CG C 13 33.70770462 0.03759047354 . . . . . . . 97 GLN CG . 52217 1
146 . 1 . 1 12 12 GLN CD C 13 180.3570384 0.03703932401 . . . . . . . 97 GLN CD . 52217 1
147 . 1 . 1 12 12 GLN N N 15 122.6703356 0.008432159645 . . . . . . . 97 GLN N . 52217 1
148 . 1 . 1 13 13 ARG H H 1 8.230612996 0.001018873757 . . . . . . . 98 ARG H . 52217 1
149 . 1 . 1 13 13 ARG HA H 1 4.178010896 0.004369052184 . . . . . . . 98 ARG HA . 52217 1
150 . 1 . 1 13 13 ARG HB2 H 1 1.658141331 0.0009370083368 . . . . . . . 98 ARG HB2 . 52217 1
151 . 1 . 1 13 13 ARG HB3 H 1 1.616073303 0.0002413540421 . . . . . . . 98 ARG HB3 . 52217 1
152 . 1 . 1 13 13 ARG HG2 H 1 1.516258351 0.001825687907 . . . . . . . 98 ARG HG2 . 52217 1
153 . 1 . 1 13 13 ARG HG3 H 1 1.454433544 0.006458131522 . . . . . . . 98 ARG HG3 . 52217 1
154 . 1 . 1 13 13 ARG HD2 H 1 3.072062456 0.006652663445 . . . . . . . 98 ARG HD2 . 52217 1
155 . 1 . 1 13 13 ARG HE H 1 7.078961142 0.0005015806753 . . . . . . . 98 ARG HE . 52217 1
156 . 1 . 1 13 13 ARG C C 13 176.5690539 0.005351698737 . . . . . . . 98 ARG C . 52217 1
157 . 1 . 1 13 13 ARG CA C 13 55.76726778 0 . . . . . . . 98 ARG CA . 52217 1
158 . 1 . 1 13 13 ARG CB C 13 30.87186595 0.01634311428 . . . . . . . 98 ARG CB . 52217 1
159 . 1 . 1 13 13 ARG CG C 13 26.93348632 0.06104545241 . . . . . . . 98 ARG CG . 52217 1
160 . 1 . 1 13 13 ARG CD C 13 43.29618281 0.03402592663 . . . . . . . 98 ARG CD . 52217 1
161 . 1 . 1 13 13 ARG N N 15 122.1138811 0.004453744418 . . . . . . . 98 ARG N . 52217 1
162 . 1 . 1 14 14 HIS H H 1 8.223443709 0.002310697534 . . . . . . . 99 HIS H . 52217 1
163 . 1 . 1 14 14 HIS HA H 1 4.621940771 0.008303280044 . . . . . . . 99 HIS HA . 52217 1
164 . 1 . 1 14 14 HIS HB2 H 1 3.197446317 0.001749146753 . . . . . . . 99 HIS HB2 . 52217 1
165 . 1 . 1 14 14 HIS HB3 H 1 3.084690172 0.003589074559 . . . . . . . 99 HIS HB3 . 52217 1
166 . 1 . 1 14 14 HIS HD1 H 1 7.180432082 0.0005969528697 . . . . . . . 99 HIS HD1 . 52217 1
167 . 1 . 1 14 14 HIS HE2 H 1 8.51310708 0.001569187791 . . . . . . . 99 HIS HE2 . 52217 1
168 . 1 . 1 14 14 HIS C C 13 174.0641759 0.01561520896 . . . . . . . 99 HIS C . 52217 1
169 . 1 . 1 14 14 HIS CA C 13 54.86246991 0.05870542258 . . . . . . . 99 HIS CA . 52217 1
170 . 1 . 1 14 14 HIS CB C 13 28.60414764 0.0280135563 . . . . . . . 99 HIS CB . 52217 1
171 . 1 . 1 14 14 HIS CG C 13 131.2063805 0.02447106457 . . . . . . . 99 HIS CG . 52217 1
172 . 1 . 1 14 14 HIS CD2 C 13 119.8165561 0.05079923431 . . . . . . . 99 HIS CD2 . 52217 1
173 . 1 . 1 14 14 HIS CE1 C 13 136.3687887 . . . . . . . . 99 HIS CE1 . 52217 1
174 . 1 . 1 14 14 HIS N N 15 115.9825686 0.001426740763 . . . . . . . 99 HIS N . 52217 1
175 . 1 . 1 15 15 LEU H H 1 8.372949959 0.0018724137 . . . . . . . 100 LEU H . 52217 1
176 . 1 . 1 15 15 LEU HA H 1 4.303096235 0.005127256397 . . . . . . . 100 LEU HA . 52217 1
177 . 1 . 1 15 15 LEU HB2 H 1 1.47321542 0.001291906561 . . . . . . . 100 LEU HB# . 52217 1
178 . 1 . 1 15 15 LEU HB3 H 1 1.47321542 0.001291906561 . . . . . . . 100 LEU HB# . 52217 1
179 . 1 . 1 15 15 LEU HG H 1 1.534647713 0.0008314392695 . . . . . . . 100 LEU HG . 52217 1
180 . 1 . 1 15 15 LEU HD11 H 1 0.8044347019 0.00009085 . . . . . . . 100 LEU HD1# . 52217 1
181 . 1 . 1 15 15 LEU HD12 H 1 0.8044347019 0.00009085 . . . . . . . 100 LEU HD1# . 52217 1
182 . 1 . 1 15 15 LEU HD13 H 1 0.8044347019 0.00009085 . . . . . . . 100 LEU HD1# . 52217 1
183 . 1 . 1 15 15 LEU HD21 H 1 0.7465848756 0.0009890906007 . . . . . . . 100 LEU HD2# . 52217 1
184 . 1 . 1 15 15 LEU HD22 H 1 0.7465848756 0.0009890906007 . . . . . . . 100 LEU HD2# . 52217 1
185 . 1 . 1 15 15 LEU HD23 H 1 0.7465848756 0.0009890906007 . . . . . . . 100 LEU HD2# . 52217 1
186 . 1 . 1 15 15 LEU C C 13 177.5635863 0.01788543381 . . . . . . . 100 LEU C . 52217 1
187 . 1 . 1 15 15 LEU CA C 13 55.13198701 0.008817698077 . . . . . . . 100 LEU CA . 52217 1
188 . 1 . 1 15 15 LEU CB C 13 42.45857065 0.06520972136 . . . . . . . 100 LEU CB . 52217 1
189 . 1 . 1 15 15 LEU CG C 13 27.11618068 0.009238072797 . . . . . . . 100 LEU CG . 52217 1
190 . 1 . 1 15 15 LEU CD1 C 13 24.85019859 0.003632015626 . . . . . . . 100 LEU CD1 . 52217 1
191 . 1 . 1 15 15 LEU CD2 C 13 23.26056245 0.003225364905 . . . . . . . 100 LEU CD2 . 52217 1
192 . 1 . 1 15 15 LEU N N 15 124.8205698 0.004924446357 . . . . . . . 100 LEU N . 52217 1
193 . 1 . 1 16 16 GLY H H 1 8.404321582 0.001907401792 . . . . . . . 101 GLY H . 52217 1
194 . 1 . 1 16 16 GLY HA2 H 1 3.889613557 0.0053611764 . . . . . . . 101 GLY HA# . 52217 1
195 . 1 . 1 16 16 GLY HA3 H 1 3.889613557 0.0053611764 . . . . . . . 101 GLY HA# . 52217 1
196 . 1 . 1 16 16 GLY C C 13 174.5278724 0.00604102028 . . . . . . . 101 GLY C . 52217 1
197 . 1 . 1 16 16 GLY CA C 13 45.16201743 0.02032895776 . . . . . . . 101 GLY CA . 52217 1
198 . 1 . 1 16 16 GLY N N 15 110.0915214 0.00168371788 . . . . . . . 101 GLY N . 52217 1
199 . 1 . 1 17 17 GLY H H 1 8.24324955 0.001008434862 . . . . . . . 102 GLY H . 52217 1
200 . 1 . 1 17 17 GLY HA2 H 1 3.931906297 0.004995733185 . . . . . . . 102 GLY HA# . 52217 1
201 . 1 . 1 17 17 GLY HA3 H 1 3.931906297 0.004995733185 . . . . . . . 102 GLY HA# . 52217 1
202 . 1 . 1 17 17 GLY C C 13 174.3876773 0.03415426055 . . . . . . . 102 GLY C . 52217 1
203 . 1 . 1 17 17 GLY CA C 13 45.1960453 0.01364168213 . . . . . . . 102 GLY CA . 52217 1
204 . 1 . 1 17 17 GLY N N 15 108.764444 0.005636227797 . . . . . . . 102 GLY N . 52217 1
205 . 1 . 1 18 18 SER H H 1 8.258889438 0.002176351743 . . . . . . . 103 SER H . 52217 1
206 . 1 . 1 18 18 SER HA H 1 4.35577995 0.00602420461 . . . . . . . 103 SER HA . 52217 1
207 . 1 . 1 18 18 SER HB2 H 1 3.806849807 0.007455550854 . . . . . . . 103 SER HB# . 52217 1
208 . 1 . 1 18 18 SER HB3 H 1 3.806849807 0.007455550854 . . . . . . . 103 SER HB# . 52217 1
209 . 1 . 1 18 18 SER C C 13 174.7238973 0.01262240929 . . . . . . . 103 SER C . 52217 1
210 . 1 . 1 18 18 SER CA C 13 58.45836708 0.0291546151 . . . . . . . 103 SER CA . 52217 1
211 . 1 . 1 18 18 SER CB C 13 63.75382564 0.02082328059 . . . . . . . 103 SER CB . 52217 1
212 . 1 . 1 18 18 SER N N 15 115.7957712 0.0009675231572 . . . . . . . 103 SER N . 52217 1
213 . 1 . 1 19 19 GLN H H 1 8.391546576 0.001564189492 . . . . . . . 104 GLN H . 52217 1
214 . 1 . 1 19 19 GLN HA H 1 4.230766946 0.002043381556 . . . . . . . 104 GLN HA . 52217 1
215 . 1 . 1 19 19 GLN HB2 H 1 2.022361727 0.001029526715 . . . . . . . 104 GLN HB2 . 52217 1
216 . 1 . 1 19 19 GLN HB3 H 1 1.886146334 0.001040541543 . . . . . . . 104 GLN HB3 . 52217 1
217 . 1 . 1 19 19 GLN HG2 H 1 2.253026639 0.001514955331 . . . . . . . 104 GLN HG# . 52217 1
218 . 1 . 1 19 19 GLN HG3 H 1 2.253026639 0.001514955331 . . . . . . . 104 GLN HG# . 52217 1
219 . 1 . 1 19 19 GLN HE21 H 1 7.436231365 . . . . . . . . 104 GLN HE21 . 52217 1
220 . 1 . 1 19 19 GLN HE22 H 1 6.759936383 . . . . . . . . 104 GLN HE22 . 52217 1
221 . 1 . 1 19 19 GLN C C 13 175.558773 0.01193636376 . . . . . . . 104 GLN C . 52217 1
222 . 1 . 1 19 19 GLN CA C 13 55.95748602 0.02060252654 . . . . . . . 104 GLN CA . 52217 1
223 . 1 . 1 19 19 GLN CB C 13 29.28181461 0.02766003685 . . . . . . . 104 GLN CB . 52217 1
224 . 1 . 1 19 19 GLN CG C 13 33.81618987 0.02195121159 . . . . . . . 104 GLN CG . 52217 1
225 . 1 . 1 19 19 GLN CD C 13 180.4269897 0.04365723536 . . . . . . . 104 GLN CD . 52217 1
226 . 1 . 1 19 19 GLN N N 15 121.8794031 0.003911857427 . . . . . . . 104 GLN N . 52217 1
227 . 1 . 1 20 20 GLN H H 1 8.249741509 0.002118709691 . . . . . . . 105 GLN H . 52217 1
228 . 1 . 1 20 20 GLN HA H 1 4.223186066 0.001628049347 . . . . . . . 105 GLN HA . 52217 1
229 . 1 . 1 20 20 GLN HB2 H 1 1.964140904 0.002367677472 . . . . . . . 105 GLN HB2 . 52217 1
230 . 1 . 1 20 20 GLN HB3 H 1 1.862302945 0.0004784884889 . . . . . . . 105 GLN HB3 . 52217 1
231 . 1 . 1 20 20 GLN HG2 H 1 2.234933728 0.0007353441827 . . . . . . . 105 GLN HG# . 52217 1
232 . 1 . 1 20 20 GLN HG3 H 1 2.234933728 0.0007353441827 . . . . . . . 105 GLN HG# . 52217 1
233 . 1 . 1 20 20 GLN C C 13 175.3493512 0.01528706232 . . . . . . . 105 GLN C . 52217 1
234 . 1 . 1 20 20 GLN CA C 13 55.80523157 0.01905725172 . . . . . . . 105 GLN CA . 52217 1
235 . 1 . 1 20 20 GLN CB C 13 29.50039153 0.01601207224 . . . . . . . 105 GLN CB . 52217 1
236 . 1 . 1 20 20 GLN CG C 13 33.76534992 0.01797920985 . . . . . . . 105 GLN CG . 52217 1
237 . 1 . 1 20 20 GLN CD C 13 180.3739878 0.01174914914 . . . . . . . 105 GLN CD . 52217 1
238 . 1 . 1 20 20 GLN N N 15 121.4443675 0.004725802185 . . . . . . . 105 GLN N . 52217 1
239 . 1 . 1 21 21 LEU H H 1 8.208256692 0.0020370092 . . . . . . . 106 LEU H . 52217 1
240 . 1 . 1 21 21 LEU HA H 1 4.30326713 0.006041612255 . . . . . . . 106 LEU HA . 52217 1
241 . 1 . 1 21 21 LEU HB2 H 1 1.511629144 0.000096687 . . . . . . . 106 LEU HB# . 52217 1
242 . 1 . 1 21 21 LEU HB3 H 1 1.511629144 0.000096687 . . . . . . . 106 LEU HB# . 52217 1
243 . 1 . 1 21 21 LEU HG H 1 1.530849372 0.0004118894616 . . . . . . . 106 LEU HG . 52217 1
244 . 1 . 1 21 21 LEU HD11 H 1 0.8152536501 0.0003323253258 . . . . . . . 106 LEU HD1# . 52217 1
245 . 1 . 1 21 21 LEU HD12 H 1 0.8152536501 0.0003323253258 . . . . . . . 106 LEU HD1# . 52217 1
246 . 1 . 1 21 21 LEU HD13 H 1 0.8152536501 0.0003323253258 . . . . . . . 106 LEU HD1# . 52217 1
247 . 1 . 1 21 21 LEU HD21 H 1 0.7548212693 0.003633308953 . . . . . . . 106 LEU HD2# . 52217 1
248 . 1 . 1 21 21 LEU HD22 H 1 0.7548212693 0.003633308953 . . . . . . . 106 LEU HD2# . 52217 1
249 . 1 . 1 21 21 LEU HD23 H 1 0.7548212693 0.003633308953 . . . . . . . 106 LEU HD2# . 52217 1
250 . 1 . 1 21 21 LEU C C 13 176.3613451 0.02062179351 . . . . . . . 106 LEU C . 52217 1
251 . 1 . 1 21 21 LEU CA C 13 56.37716317 0.007229279924 . . . . . . . 106 LEU CA . 52217 1
252 . 1 . 1 21 21 LEU CB C 13 42.16463214 0.03608087885 . . . . . . . 106 LEU CB . 52217 1
253 . 1 . 1 21 21 LEU CG C 13 26.82041539 0.006181559115 . . . . . . . 106 LEU CG . 52217 1
254 . 1 . 1 21 21 LEU CD1 C 13 25.03514532 0.01399503212 . . . . . . . 106 LEU CD1 . 52217 1
255 . 1 . 1 21 21 LEU CD2 C 13 23.45836408 0.001892767335 . . . . . . . 106 LEU CD2 . 52217 1
256 . 1 . 1 21 21 LEU N N 15 124.2804709 0.009498083721 . . . . . . . 106 LEU N . 52217 1
257 . 1 . 1 22 22 LEU H H 1 7.906146075 0.002051965804 . . . . . . . 107 LEU H . 52217 1
258 . 1 . 1 22 22 LEU HA H 1 4.185937238 0.001756789544 . . . . . . . 107 LEU HA . 52217 1
259 . 1 . 1 22 22 LEU HB2 H 1 1.500267435 0.000079 . . . . . . . 107 LEU HB# . 52217 1
260 . 1 . 1 22 22 LEU HB3 H 1 1.500267435 0.000079 . . . . . . . 107 LEU HB# . 52217 1
261 . 1 . 1 22 22 LEU HG H 1 1.504948154 0.0001907526414 . . . . . . . 107 LEU HG . 52217 1
262 . 1 . 1 22 22 LEU HD11 H 1 0.7997543334 0.002792460018 . . . . . . . 107 LEU HD1# . 52217 1
263 . 1 . 1 22 22 LEU HD12 H 1 0.7997543334 0.002792460018 . . . . . . . 107 LEU HD1# . 52217 1
264 . 1 . 1 22 22 LEU HD13 H 1 0.7997543334 0.002792460018 . . . . . . . 107 LEU HD1# . 52217 1
265 . 1 . 1 22 22 LEU HD21 H 1 0.7462974649 0.0001338926213 . . . . . . . 107 LEU HD2# . 52217 1
266 . 1 . 1 22 22 LEU HD22 H 1 0.7462974649 0.0001338926213 . . . . . . . 107 LEU HD2# . 52217 1
267 . 1 . 1 22 22 LEU HD23 H 1 0.7462974649 0.0001338926213 . . . . . . . 107 LEU HD2# . 52217 1
268 . 1 . 1 22 22 LEU C C 13 180.9698033 0.003798342934 . . . . . . . 107 LEU C . 52217 1
269 . 1 . 1 22 22 LEU CA C 13 55.49620935 0.05295875842 . . . . . . . 107 LEU CA . 52217 1
270 . 1 . 1 22 22 LEU CB C 13 42.87459701 0.07610366016 . . . . . . . 107 LEU CB . 52217 1
271 . 1 . 1 22 22 LEU CG C 13 27.08618683 0.005566559202 . . . . . . . 107 LEU CG . 52217 1
272 . 1 . 1 22 22 LEU CD1 C 13 25.08655947 0.003570511985 . . . . . . . 107 LEU CD1 . 52217 1
273 . 1 . 1 22 22 LEU CD2 C 13 23.55488205 0.005690458512 . . . . . . . 107 LEU CD2 . 52217 1
274 . 1 . 1 22 22 LEU N N 15 126.8871552 0.01190040515 . . . . . . . 107 LEU N . 52217 1
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