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 34069
_Assigned_chem_shift_list.ID 1
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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' . . . 34069 1
2 '2D 1H-13C HSQC' . . . 34069 1
3 '3D HNCACB' . . . 34069 1
4 '3D CBCA(CO)NH' . . . 34069 1
5 '3D HCCH-TOCSY' . . . 34069 1
6 '3D 1H-15N NOESY' . . . 34069 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 1 1 LYS HA H 1 3.988 0.003 . 1 . 2 . A 1 LYS HA . 34069 1
2 . 1 1 1 1 LYS HB2 H 1 1.874 0.020 . 1 . 277 . A 1 LYS HB2 . 34069 1
3 . 1 1 1 1 LYS HB3 H 1 1.874 0.020 . 1 . 4 . A 1 LYS HB3 . 34069 1
4 . 1 1 1 1 LYS HG2 H 1 1.379 0.008 . 1 . 280 . A 1 LYS HG2 . 34069 1
5 . 1 1 1 1 LYS HG3 H 1 1.379 0.008 . 1 . 6 . A 1 LYS HG3 . 34069 1
6 . 1 1 1 1 LYS HD2 H 1 1.673 0.020 . 1 . 278 . A 1 LYS HD2 . 34069 1
7 . 1 1 1 1 LYS HD3 H 1 1.673 0.020 . 1 . 8 . A 1 LYS HD3 . 34069 1
8 . 1 1 1 1 LYS HE2 H 1 2.974 0.001 . 1 . 279 . A 1 LYS HE2 . 34069 1
9 . 1 1 1 1 LYS HE3 H 1 2.974 0.001 . 1 . 10 . A 1 LYS HE3 . 34069 1
10 . 1 1 1 1 LYS CA C 13 55.410 0.200 . 1 . 1 . A 1 LYS CA . 34069 1
11 . 1 1 1 1 LYS CB C 13 33.249 0.200 . 1 . 3 . A 1 LYS CB . 34069 1
12 . 1 1 1 1 LYS CG C 13 23.785 0.200 . 1 . 5 . A 1 LYS CG . 34069 1
13 . 1 1 1 1 LYS CD C 13 29.160 0.200 . 1 . 7 . A 1 LYS CD . 34069 1
14 . 1 1 1 1 LYS CE C 13 41.876 0.001 . 1 . 9 . A 1 LYS CE . 34069 1
15 . 1 1 2 2 CYS H H 1 9.044 0.020 . 1 . 12 . A 2 CYS H . 34069 1
16 . 1 1 2 2 CYS HA H 1 4.671 0.020 . 1 . 14 . A 2 CYS HA . 34069 1
17 . 1 1 2 2 CYS HB2 H 1 3.274 0.010 . 2 . 16 . A 2 CYS HB2 . 34069 1
18 . 1 1 2 2 CYS HB3 H 1 3.110 0.020 . 2 . 17 . A 2 CYS HB3 . 34069 1
19 . 1 1 2 2 CYS CA C 13 55.784 0.200 . 1 . 13 . A 2 CYS CA . 34069 1
20 . 1 1 2 2 CYS CB C 13 41.505 0.200 . 1 . 15 . A 2 CYS CB . 34069 1
21 . 1 1 2 2 CYS N N 15 122.372 0.200 . 1 . 11 . A 2 CYS N . 34069 1
22 . 1 1 3 3 ASN H H 1 9.027 0.020 . 1 . 19 . A 3 ASN H . 34069 1
23 . 1 1 3 3 ASN HA H 1 4.668 0.009 . 1 . 20 . A 3 ASN HA . 34069 1
24 . 1 1 3 3 ASN HB2 H 1 2.852 0.003 . 1 . 281 . A 3 ASN HB2 . 34069 1
25 . 1 1 3 3 ASN HB3 H 1 2.852 0.003 . 1 . 21 . A 3 ASN HB3 . 34069 1
26 . 1 1 3 3 ASN HD21 H 1 7.655 0.020 . 1 . 23 . A 3 ASN HD21 . 34069 1
27 . 1 1 3 3 ASN HD22 H 1 6.910 0.020 . 1 . 24 . A 3 ASN HD22 . 34069 1
28 . 1 1 3 3 ASN N N 15 124.528 0.049 . 1 . 18 . A 3 ASN N . 34069 1
29 . 1 1 3 3 ASN ND2 N 15 112.528 0.063 . 1 . 22 . A 3 ASN ND2 . 34069 1
30 . 1 1 4 4 THR H H 1 7.644 0.020 . 1 . 26 . A 4 THR H . 34069 1
31 . 1 1 4 4 THR HA H 1 4.490 0.002 . 1 . 28 . A 4 THR HA . 34069 1
32 . 1 1 4 4 THR HB H 1 4.543 0.003 . 1 . 30 . A 4 THR HB . 34069 1
33 . 1 1 4 4 THR HG21 H 1 1.255 0.003 . 1 . 31 . A 4 THR HG21 . 34069 1
34 . 1 1 4 4 THR HG22 H 1 1.255 0.003 . 1 . 31 . A 4 THR HG22 . 34069 1
35 . 1 1 4 4 THR HG23 H 1 1.255 0.003 . 1 . 31 . A 4 THR HG23 . 34069 1
36 . 1 1 4 4 THR CA C 13 61.256 0.200 . 1 . 27 . A 4 THR CA . 34069 1
37 . 1 1 4 4 THR CB C 13 70.992 0.200 . 1 . 29 . A 4 THR CB . 34069 1
38 . 1 1 4 4 THR CG2 C 13 21.708 0.200 . 1 . 32 . A 4 THR CG2 . 34069 1
39 . 1 1 4 4 THR N N 15 111.085 0.030 . 1 . 25 . A 4 THR N . 34069 1
40 . 1 1 5 5 ALA H H 1 8.773 0.021 . 1 . 34 . A 5 ALA H . 34069 1
41 . 1 1 5 5 ALA HA H 1 4.186 0.020 . 1 . 36 . A 5 ALA HA . 34069 1
42 . 1 1 5 5 ALA HB1 H 1 1.463 0.020 . 1 . 37 . A 5 ALA HB1 . 34069 1
43 . 1 1 5 5 ALA HB2 H 1 1.463 0.020 . 1 . 37 . A 5 ALA HB2 . 34069 1
44 . 1 1 5 5 ALA HB3 H 1 1.463 0.020 . 1 . 37 . A 5 ALA HB3 . 34069 1
45 . 1 1 5 5 ALA CA C 13 54.787 0.200 . 1 . 35 . A 5 ALA CA . 34069 1
46 . 1 1 5 5 ALA CB C 13 18.544 0.200 . 1 . 38 . A 5 ALA CB . 34069 1
47 . 1 1 5 5 ALA N N 15 122.949 0.013 . 1 . 33 . A 5 ALA N . 34069 1
48 . 1 1 6 6 THR H H 1 7.990 0.020 . 1 . 40 . A 6 THR H . 34069 1
49 . 1 1 6 6 THR HA H 1 4.251 0.002 . 1 . 42 . A 6 THR HA . 34069 1
50 . 1 1 6 6 THR HB H 1 4.185 0.020 . 1 . 44 . A 6 THR HB . 34069 1
51 . 1 1 6 6 THR HG21 H 1 1.185 0.020 . 1 . 45 . A 6 THR HG21 . 34069 1
52 . 1 1 6 6 THR HG22 H 1 1.185 0.020 . 1 . 45 . A 6 THR HG22 . 34069 1
53 . 1 1 6 6 THR HG23 H 1 1.185 0.020 . 1 . 45 . A 6 THR HG23 . 34069 1
54 . 1 1 6 6 THR CA C 13 63.480 0.200 . 1 . 41 . A 6 THR CA . 34069 1
55 . 1 1 6 6 THR CB C 13 69.199 0.200 . 1 . 43 . A 6 THR CB . 34069 1
56 . 1 1 6 6 THR N N 15 109.621 0.031 . 1 . 39 . A 6 THR N . 34069 1
57 . 1 1 7 7 CYS H H 1 8.153 0.001 . 1 . 47 . A 7 CYS H . 34069 1
58 . 1 1 7 7 CYS HA H 1 4.509 0.020 . 1 . 49 . A 7 CYS HA . 34069 1
59 . 1 1 7 7 CYS HB2 H 1 3.264 0.011 . 2 . 51 . A 7 CYS HB2 . 34069 1
60 . 1 1 7 7 CYS HB3 H 1 3.049 0.012 . 2 . 52 . A 7 CYS HB3 . 34069 1
61 . 1 1 7 7 CYS CA C 13 56.730 0.200 . 1 . 48 . A 7 CYS CA . 34069 1
62 . 1 1 7 7 CYS CB C 13 41.122 0.200 . 1 . 50 . A 7 CYS CB . 34069 1
63 . 1 1 7 7 CYS N N 15 120.674 0.011 . 1 . 46 . A 7 CYS N . 34069 1
64 . 1 1 8 8 ALA H H 1 8.239 0.001 . 1 . 54 . A 8 ALA H . 34069 1
65 . 1 1 8 8 ALA HA H 1 4.252 0.001 . 1 . 56 . A 8 ALA HA . 34069 1
66 . 1 1 8 8 ALA HB1 H 1 1.427 0.016 . 1 . 57 . A 8 ALA HB1 . 34069 1
67 . 1 1 8 8 ALA HB2 H 1 1.427 0.016 . 1 . 57 . A 8 ALA HB2 . 34069 1
68 . 1 1 8 8 ALA HB3 H 1 1.427 0.016 . 1 . 57 . A 8 ALA HB3 . 34069 1
69 . 1 1 8 8 ALA CA C 13 54.018 0.200 . 1 . 55 . A 8 ALA CA . 34069 1
70 . 1 1 8 8 ALA CB C 13 18.643 0.200 . 1 . 58 . A 8 ALA CB . 34069 1
71 . 1 1 8 8 ALA N N 15 124.554 0.030 . 1 . 53 . A 8 ALA N . 34069 1
72 . 1 1 9 9 THR H H 1 8.191 0.020 . 1 . 60 . A 9 THR H . 34069 1
73 . 1 1 9 9 THR HA H 1 4.242 0.020 . 1 . 62 . A 9 THR HA . 34069 1
74 . 1 1 9 9 THR HB H 1 4.190 0.020 . 1 . 64 . A 9 THR HB . 34069 1
75 . 1 1 9 9 THR HG21 H 1 1.202 0.006 . 1 . 65 . A 9 THR HG21 . 34069 1
76 . 1 1 9 9 THR HG22 H 1 1.202 0.006 . 1 . 65 . A 9 THR HG22 . 34069 1
77 . 1 1 9 9 THR HG23 H 1 1.202 0.006 . 1 . 65 . A 9 THR HG23 . 34069 1
78 . 1 1 9 9 THR CA C 13 63.688 0.200 . 1 . 61 . A 9 THR CA . 34069 1
79 . 1 1 9 9 THR CB C 13 69.230 0.200 . 1 . 63 . A 9 THR CB . 34069 1
80 . 1 1 9 9 THR N N 15 113.948 0.200 . 1 . 59 . A 9 THR N . 34069 1
81 . 1 1 10 10 GLN H H 1 8.289 0.002 . 1 . 67 . A 10 GLN H . 34069 1
82 . 1 1 10 10 GLN HA H 1 4.222 0.009 . 1 . 69 . A 10 GLN HA . 34069 1
83 . 1 1 10 10 GLN HB2 H 1 2.009 0.059 . 2 . 71 . A 10 GLN HB2 . 34069 1
84 . 1 1 10 10 GLN HB3 H 1 2.054 0.013 . 2 . 72 . A 10 GLN HB3 . 34069 1
85 . 1 1 10 10 GLN HG2 H 1 2.338 0.006 . 2 . 74 . A 10 GLN HG2 . 34069 1
86 . 1 1 10 10 GLN HG3 H 1 2.373 0.004 . 2 . 75 . A 10 GLN HG3 . 34069 1
87 . 1 1 10 10 GLN HE21 H 1 7.589 0.020 . 1 . 77 . A 10 GLN HE21 . 34069 1
88 . 1 1 10 10 GLN HE22 H 1 6.920 0.020 . 1 . 78 . A 10 GLN HE22 . 34069 1
89 . 1 1 10 10 GLN CA C 13 56.951 0.200 . 1 . 68 . A 10 GLN CA . 34069 1
90 . 1 1 10 10 GLN CB C 13 28.994 0.200 . 1 . 70 . A 10 GLN CB . 34069 1
91 . 1 1 10 10 GLN CG C 13 33.910 0.200 . 1 . 73 . A 10 GLN CG . 34069 1
92 . 1 1 10 10 GLN N N 15 122.840 0.062 . 1 . 66 . A 10 GLN N . 34069 1
93 . 1 1 10 10 GLN NE2 N 15 112.784 0.065 . 1 . 76 . A 10 GLN NE2 . 34069 1
94 . 1 1 11 11 ARG H H 1 8.334 0.002 . 1 . 80 . A 11 ARG H . 34069 1
95 . 1 1 11 11 ARG HA H 1 4.233 0.004 . 1 . 82 . A 11 ARG HA . 34069 1
96 . 1 1 11 11 ARG HB2 H 1 1.790 0.009 . 1 . 84 . A 11 ARG HB2 . 34069 1
97 . 1 1 11 11 ARG HB3 H 1 1.790 0.009 . 1 . 282 . A 11 ARG HB3 . 34069 1
98 . 1 1 11 11 ARG HG2 H 1 1.565 0.004 . 2 . 86 . A 11 ARG HG2 . 34069 1
99 . 1 1 11 11 ARG HG3 H 1 1.641 0.006 . 2 . 87 . A 11 ARG HG3 . 34069 1
100 . 1 1 11 11 ARG HD2 H 1 3.145 0.005 . 1 . 89 . A 11 ARG HD2 . 34069 1
101 . 1 1 11 11 ARG HD3 H 1 3.145 0.005 . 1 . 283 . A 11 ARG HD3 . 34069 1
102 . 1 1 11 11 ARG HE H 1 7.243 0.020 . 1 . 91 . A 11 ARG HE . 34069 1
103 . 1 1 11 11 ARG CA C 13 57.384 0.200 . 1 . 81 . A 11 ARG CA . 34069 1
104 . 1 1 11 11 ARG CB C 13 30.588 0.200 . 1 . 83 . A 11 ARG CB . 34069 1
105 . 1 1 11 11 ARG CG C 13 27.439 0.200 . 1 . 85 . A 11 ARG CG . 34069 1
106 . 1 1 11 11 ARG CD C 13 43.410 0.200 . 1 . 88 . A 11 ARG CD . 34069 1
107 . 1 1 11 11 ARG N N 15 122.101 0.011 . 1 . 79 . A 11 ARG N . 34069 1
108 . 1 1 11 11 ARG NE N 15 84.360 0.023 . 1 . 90 . A 11 ARG NE . 34069 1
109 . 1 1 12 12 LEU H H 1 8.212 0.020 . 1 . 93 . A 12 LEU H . 34069 1
110 . 1 1 12 12 LEU HA H 1 4.293 0.003 . 1 . 95 . A 12 LEU HA . 34069 1
111 . 1 1 12 12 LEU HB2 H 1 1.586 0.005 . 2 . 97 . A 12 LEU HB2 . 34069 1
112 . 1 1 12 12 LEU HB3 H 1 1.654 0.002 . 2 . 98 . A 12 LEU HB3 . 34069 1
113 . 1 1 12 12 LEU HD11 H 1 0.856 0.001 . 2 . 99 . A 12 LEU HD11 . 34069 1
114 . 1 1 12 12 LEU HD12 H 1 0.856 0.001 . 2 . 99 . A 12 LEU HD12 . 34069 1
115 . 1 1 12 12 LEU HD13 H 1 0.856 0.001 . 2 . 99 . A 12 LEU HD13 . 34069 1
116 . 1 1 12 12 LEU HD21 H 1 0.912 0.001 . 2 . 100 . A 12 LEU HD21 . 34069 1
117 . 1 1 12 12 LEU HD22 H 1 0.912 0.001 . 2 . 100 . A 12 LEU HD22 . 34069 1
118 . 1 1 12 12 LEU HD23 H 1 0.912 0.001 . 2 . 100 . A 12 LEU HD23 . 34069 1
119 . 1 1 12 12 LEU CA C 13 55.701 0.200 . 1 . 94 . A 12 LEU CA . 34069 1
120 . 1 1 12 12 LEU CB C 13 42.124 0.200 . 1 . 96 . A 12 LEU CB . 34069 1
121 . 1 1 12 12 LEU N N 15 122.970 0.200 . 1 . 92 . A 12 LEU N . 34069 1
122 . 1 1 13 13 ALA H H 1 8.258 0.002 . 1 . 102 . A 13 ALA H . 34069 1
123 . 1 1 13 13 ALA HA H 1 4.179 0.002 . 1 . 104 . A 13 ALA HA . 34069 1
124 . 1 1 13 13 ALA HB1 H 1 1.319 0.003 . 1 . 105 . A 13 ALA HB1 . 34069 1
125 . 1 1 13 13 ALA HB2 H 1 1.319 0.003 . 1 . 105 . A 13 ALA HB2 . 34069 1
126 . 1 1 13 13 ALA HB3 H 1 1.319 0.003 . 1 . 105 . A 13 ALA HB3 . 34069 1
127 . 1 1 13 13 ALA CA C 13 53.341 0.200 . 1 . 103 . A 13 ALA CA . 34069 1
128 . 1 1 13 13 ALA CB C 13 18.822 0.200 . 1 . 106 . A 13 ALA CB . 34069 1
129 . 1 1 13 13 ALA N N 15 124.021 0.043 . 1 . 101 . A 13 ALA N . 34069 1
130 . 1 1 14 14 ASN H H 1 8.277 0.009 . 1 . 108 . A 14 ASN H . 34069 1
131 . 1 1 14 14 ASN HA H 1 4.553 0.017 . 1 . 110 . A 14 ASN HA . 34069 1
132 . 1 1 14 14 ASN HB2 H 1 2.706 0.007 . 1 . 284 . A 14 ASN HB2 . 34069 1
133 . 1 1 14 14 ASN HB3 H 1 2.706 0.007 . 1 . 112 . A 14 ASN HB3 . 34069 1
134 . 1 1 14 14 ASN HD21 H 1 7.627 0.020 . 1 . 114 . A 14 ASN HD21 . 34069 1
135 . 1 1 14 14 ASN HD22 H 1 6.942 0.010 . 1 . 115 . A 14 ASN HD22 . 34069 1
136 . 1 1 14 14 ASN CA C 13 53.846 0.200 . 1 . 109 . A 14 ASN CA . 34069 1
137 . 1 1 14 14 ASN CB C 13 38.488 0.200 . 1 . 111 . A 14 ASN CB . 34069 1
138 . 1 1 14 14 ASN N N 15 117.050 0.037 . 1 . 107 . A 14 ASN N . 34069 1
139 . 1 1 14 14 ASN ND2 N 15 112.829 0.058 . 1 . 113 . A 14 ASN ND2 . 34069 1
140 . 1 1 15 15 PHE H H 1 8.075 0.002 . 1 . 117 . A 15 PHE H . 34069 1
141 . 1 1 15 15 PHE HA H 1 4.537 0.020 . 1 . 118 . A 15 PHE HA . 34069 1
142 . 1 1 15 15 PHE HB2 H 1 3.056 0.004 . 2 . 119 . A 15 PHE HB2 . 34069 1
143 . 1 1 15 15 PHE HB3 H 1 3.140 0.003 . 2 . 120 . A 15 PHE HB3 . 34069 1
144 . 1 1 15 15 PHE HD1 H 1 7.228 0.006 . 3 . 121 . A 15 PHE HD1 . 34069 1
145 . 1 1 15 15 PHE HD2 H 1 7.228 0.006 . 3 . 121 . A 15 PHE HD2 . 34069 1
146 . 1 1 15 15 PHE HE1 H 1 7.320 0.004 . 3 . 122 . A 15 PHE HE1 . 34069 1
147 . 1 1 15 15 PHE HE2 H 1 7.320 0.004 . 3 . 122 . A 15 PHE HE2 . 34069 1
148 . 1 1 15 15 PHE N N 15 120.304 0.040 . 1 . 116 . A 15 PHE N . 34069 1
149 . 1 1 16 16 LEU H H 1 8.099 0.001 . 1 . 124 . A 16 LEU H . 34069 1
150 . 1 1 16 16 LEU HA H 1 4.254 0.017 . 1 . 126 . A 16 LEU HA . 34069 1
151 . 1 1 16 16 LEU HB2 H 1 1.473 0.003 . 2 . 128 . A 16 LEU HB2 . 34069 1
152 . 1 1 16 16 LEU HB3 H 1 1.587 0.004 . 2 . 129 . A 16 LEU HB3 . 34069 1
153 . 1 1 16 16 LEU HD11 H 1 0.823 0.001 . 2 . 130 . A 16 LEU HD11 . 34069 1
154 . 1 1 16 16 LEU HD12 H 1 0.823 0.001 . 2 . 130 . A 16 LEU HD12 . 34069 1
155 . 1 1 16 16 LEU HD13 H 1 0.823 0.001 . 2 . 130 . A 16 LEU HD13 . 34069 1
156 . 1 1 16 16 LEU HD21 H 1 0.874 0.020 . 2 . 131 . A 16 LEU HD21 . 34069 1
157 . 1 1 16 16 LEU HD22 H 1 0.874 0.020 . 2 . 131 . A 16 LEU HD22 . 34069 1
158 . 1 1 16 16 LEU HD23 H 1 0.874 0.020 . 2 . 131 . A 16 LEU HD23 . 34069 1
159 . 1 1 16 16 LEU CA C 13 55.479 0.200 . 1 . 125 . A 16 LEU CA . 34069 1
160 . 1 1 16 16 LEU CB C 13 42.230 0.200 . 1 . 127 . A 16 LEU CB . 34069 1
161 . 1 1 16 16 LEU N N 15 122.958 0.038 . 1 . 123 . A 16 LEU N . 34069 1
162 . 1 1 17 17 VAL H H 1 8.025 0.020 . 1 . 133 . A 17 VAL H . 34069 1
163 . 1 1 17 17 VAL HA H 1 3.954 0.004 . 1 . 135 . A 17 VAL HA . 34069 1
164 . 1 1 17 17 VAL HB H 1 1.981 0.006 . 1 . 137 . A 17 VAL HB . 34069 1
165 . 1 1 17 17 VAL HG11 H 1 0.837 0.003 . 2 . 138 . A 17 VAL HG11 . 34069 1
166 . 1 1 17 17 VAL HG12 H 1 0.837 0.003 . 2 . 138 . A 17 VAL HG12 . 34069 1
167 . 1 1 17 17 VAL HG13 H 1 0.837 0.003 . 2 . 138 . A 17 VAL HG13 . 34069 1
168 . 1 1 17 17 VAL HG21 H 1 0.906 0.003 . 2 . 139 . A 17 VAL HG21 . 34069 1
169 . 1 1 17 17 VAL HG22 H 1 0.906 0.003 . 2 . 139 . A 17 VAL HG22 . 34069 1
170 . 1 1 17 17 VAL HG23 H 1 0.906 0.003 . 2 . 139 . A 17 VAL HG23 . 34069 1
171 . 1 1 17 17 VAL CA C 13 62.745 0.200 . 1 . 134 . A 17 VAL CA . 34069 1
172 . 1 1 17 17 VAL CB C 13 32.477 0.200 . 1 . 136 . A 17 VAL CB . 34069 1
173 . 1 1 17 17 VAL N N 15 121.206 0.054 . 1 . 132 . A 17 VAL N . 34069 1
174 . 1 1 18 18 HIS H H 1 8.626 0.020 . 1 . 141 . A 18 HIS H . 34069 1
175 . 1 1 18 18 HIS HA H 1 4.707 0.004 . 1 . 143 . A 18 HIS HA . 34069 1
176 . 1 1 18 18 HIS HB2 H 1 3.149 0.020 . 2 . 145 . A 18 HIS HB2 . 34069 1
177 . 1 1 18 18 HIS HB3 H 1 3.229 0.008 . 2 . 146 . A 18 HIS HB3 . 34069 1
178 . 1 1 18 18 HIS HD2 H 1 7.248 0.029 . 1 . 147 . A 18 HIS HD2 . 34069 1
179 . 1 1 18 18 HIS HE1 H 1 8.523 0.020 . 1 . 148 . A 18 HIS HE1 . 34069 1
180 . 1 1 18 18 HIS CA C 13 55.467 0.200 . 1 . 142 . A 18 HIS CA . 34069 1
181 . 1 1 18 18 HIS CB C 13 29.141 0.200 . 1 . 144 . A 18 HIS CB . 34069 1
182 . 1 1 18 18 HIS N N 15 122.454 0.015 . 1 . 140 . A 18 HIS N . 34069 1
183 . 1 1 19 19 SER H H 1 8.464 0.002 . 1 . 150 . A 19 SER H . 34069 1
184 . 1 1 19 19 SER HA H 1 4.436 0.020 . 1 . 151 . A 19 SER HA . 34069 1
185 . 1 1 19 19 SER HB2 H 1 3.782 0.007 . 2 . 152 . A 19 SER HB2 . 34069 1
186 . 1 1 19 19 SER HB3 H 1 3.864 0.005 . 2 . 153 . A 19 SER HB3 . 34069 1
187 . 1 1 19 19 SER N N 15 117.835 0.013 . 1 . 149 . A 19 SER N . 34069 1
188 . 1 1 20 20 SER H H 1 8.552 0.002 . 1 . 155 . A 20 SER H . 34069 1
189 . 1 1 20 20 SER HA H 1 4.440 0.005 . 1 . 156 . A 20 SER HA . 34069 1
190 . 1 1 20 20 SER HB2 H 1 3.828 0.020 . 2 . 157 . A 20 SER HB2 . 34069 1
191 . 1 1 20 20 SER HB3 H 1 3.868 0.001 . 2 . 158 . A 20 SER HB3 . 34069 1
192 . 1 1 20 20 SER N N 15 117.977 0.039 . 1 . 154 . A 20 SER N . 34069 1
193 . 1 1 21 21 ASN H H 1 8.488 0.014 . 1 . 160 . A 21 ASN H . 34069 1
194 . 1 1 21 21 ASN HA H 1 4.633 0.020 . 1 . 161 . A 21 ASN HA . 34069 1
195 . 1 1 21 21 ASN HB2 H 1 2.681 0.020 . 2 . 162 . A 21 ASN HB2 . 34069 1
196 . 1 1 21 21 ASN HB3 H 1 2.711 0.020 . 2 . 163 . A 21 ASN HB3 . 34069 1
197 . 1 1 21 21 ASN HD21 H 1 7.628 0.020 . 1 . 165 . A 21 ASN HD21 . 34069 1
198 . 1 1 21 21 ASN HD22 H 1 6.973 0.020 . 1 . 166 . A 21 ASN HD22 . 34069 1
199 . 1 1 21 21 ASN N N 15 120.295 0.060 . 1 . 159 . A 21 ASN N . 34069 1
200 . 1 1 21 21 ASN ND2 N 15 113.101 0.089 . 1 . 164 . A 21 ASN ND2 . 34069 1
201 . 1 1 22 22 ASN H H 1 8.365 0.003 . 1 . 168 . A 22 ASN H . 34069 1
202 . 1 1 22 22 ASN HA H 1 4.634 0.009 . 1 . 169 . A 22 ASN HA . 34069 1
203 . 1 1 22 22 ASN HB2 H 1 2.617 0.008 . 2 . 170 . A 22 ASN HB2 . 34069 1
204 . 1 1 22 22 ASN HB3 H 1 2.715 0.003 . 2 . 171 . A 22 ASN HB3 . 34069 1
205 . 1 1 22 22 ASN HD21 H 1 7.579 0.001 . 1 . 173 . A 22 ASN HD21 . 34069 1
206 . 1 1 22 22 ASN HD22 H 1 6.914 0.020 . 1 . 174 . A 22 ASN HD22 . 34069 1
207 . 1 1 22 22 ASN N N 15 118.947 0.054 . 1 . 167 . A 22 ASN N . 34069 1
208 . 1 1 22 22 ASN ND2 N 15 112.785 0.065 . 1 . 172 . A 22 ASN ND2 . 34069 1
209 . 1 1 23 23 PHE H H 1 8.304 0.001 . 1 . 176 . A 23 PHE H . 34069 1
210 . 1 1 23 23 PHE HA H 1 4.527 0.001 . 1 . 177 . A 23 PHE HA . 34069 1
211 . 1 1 23 23 PHE HB2 H 1 3.014 0.002 . 2 . 178 . A 23 PHE HB2 . 34069 1
212 . 1 1 23 23 PHE HB3 H 1 3.163 0.005 . 2 . 179 . A 23 PHE HB3 . 34069 1
213 . 1 1 23 23 PHE HD1 H 1 7.220 0.010 . 3 . 180 . A 23 PHE HD1 . 34069 1
214 . 1 1 23 23 PHE HD2 H 1 7.220 0.010 . 3 . 180 . A 23 PHE HD2 . 34069 1
215 . 1 1 23 23 PHE HE1 H 1 7.324 0.001 . 3 . 181 . A 23 PHE HE1 . 34069 1
216 . 1 1 23 23 PHE HE2 H 1 7.324 0.001 . 3 . 181 . A 23 PHE HE2 . 34069 1
217 . 1 1 23 23 PHE N N 15 120.680 0.048 . 1 . 175 . A 23 PHE N . 34069 1
218 . 1 1 24 24 GLY H H 1 8.371 0.001 . 1 . 183 . A 24 GLY H . 34069 1
219 . 1 1 24 24 GLY HA2 H 1 3.798 0.020 . 2 . 184 . A 24 GLY HA2 . 34069 1
220 . 1 1 24 24 GLY HA3 H 1 3.868 0.001 . 2 . 185 . A 24 GLY HA3 . 34069 1
221 . 1 1 24 24 GLY N N 15 110.477 0.015 . 1 . 182 . A 24 GLY N . 34069 1
222 . 1 1 25 25 ALA H H 1 8.049 0.020 . 1 . 187 . A 25 ALA H . 34069 1
223 . 1 1 25 25 ALA HA H 1 4.268 0.001 . 1 . 189 . A 25 ALA HA . 34069 1
224 . 1 1 25 25 ALA HB1 H 1 1.332 0.011 . 1 . 190 . A 25 ALA HB1 . 34069 1
225 . 1 1 25 25 ALA HB2 H 1 1.332 0.011 . 1 . 190 . A 25 ALA HB2 . 34069 1
226 . 1 1 25 25 ALA HB3 H 1 1.332 0.011 . 1 . 190 . A 25 ALA HB3 . 34069 1
227 . 1 1 25 25 ALA CA C 13 52.494 0.200 . 1 . 188 . A 25 ALA CA . 34069 1
228 . 1 1 25 25 ALA CB C 13 19.288 0.200 . 1 . 191 . A 25 ALA CB . 34069 1
229 . 1 1 25 25 ALA N N 15 123.740 0.012 . 1 . 186 . A 25 ALA N . 34069 1
230 . 1 1 26 26 ILE H H 1 8.271 0.020 . 1 . 193 . A 26 ILE H . 34069 1
231 . 1 1 26 26 ILE HA H 1 4.524 0.020 . 1 . 195 . A 26 ILE HA . 34069 1
232 . 1 1 26 26 ILE HB H 1 1.813 0.006 . 1 . 197 . A 26 ILE HB . 34069 1
233 . 1 1 26 26 ILE HG12 H 1 1.161 0.020 . 2 . 201 . A 26 ILE HG12 . 34069 1
234 . 1 1 26 26 ILE HG13 H 1 1.470 0.020 . 2 . 202 . A 26 ILE HG13 . 34069 1
235 . 1 1 26 26 ILE HG21 H 1 0.854 0.015 . 1 . 198 . A 26 ILE HG21 . 34069 1
236 . 1 1 26 26 ILE HG22 H 1 0.854 0.015 . 1 . 198 . A 26 ILE HG22 . 34069 1
237 . 1 1 26 26 ILE HG23 H 1 0.854 0.015 . 1 . 198 . A 26 ILE HG23 . 34069 1
238 . 1 1 26 26 ILE HD11 H 1 0.823 0.001 . 1 . 203 . A 26 ILE HD11 . 34069 1
239 . 1 1 26 26 ILE HD12 H 1 0.823 0.001 . 1 . 203 . A 26 ILE HD12 . 34069 1
240 . 1 1 26 26 ILE HD13 H 1 0.823 0.001 . 1 . 203 . A 26 ILE HD13 . 34069 1
241 . 1 1 26 26 ILE CA C 13 61.051 0.200 . 1 . 194 . A 26 ILE CA . 34069 1
242 . 1 1 26 26 ILE CB C 13 38.325 0.200 . 1 . 196 . A 26 ILE CB . 34069 1
243 . 1 1 26 26 ILE CG1 C 13 27.309 0.200 . 1 . 200 . A 26 ILE CG1 . 34069 1
244 . 1 1 26 26 ILE CG2 C 13 17.426 0.200 . 1 . 199 . A 26 ILE CG2 . 34069 1
245 . 1 1 26 26 ILE CD1 C 13 12.691 0.200 . 1 . 204 . A 26 ILE CD1 . 34069 1
246 . 1 1 26 26 ILE N N 15 120.913 0.004 . 1 . 192 . A 26 ILE N . 34069 1
247 . 1 1 27 27 LEU H H 1 8.491 0.020 . 1 . 206 . A 27 LEU H . 34069 1
248 . 1 1 27 27 LEU HA H 1 4.093 0.008 . 1 . 208 . A 27 LEU HA . 34069 1
249 . 1 1 27 27 LEU HB2 H 1 1.605 0.020 . 2 . 210 . A 27 LEU HB2 . 34069 1
250 . 1 1 27 27 LEU HB3 H 1 1.561 0.007 . 2 . 211 . A 27 LEU HB3 . 34069 1
251 . 1 1 27 27 LEU HG H 1 1.624 0.020 . 1 . 212 . A 27 LEU HG . 34069 1
252 . 1 1 27 27 LEU HD11 H 1 0.824 0.020 . 2 . 213 . A 27 LEU HD11 . 34069 1
253 . 1 1 27 27 LEU HD12 H 1 0.824 0.020 . 2 . 213 . A 27 LEU HD12 . 34069 1
254 . 1 1 27 27 LEU HD13 H 1 0.824 0.020 . 2 . 213 . A 27 LEU HD13 . 34069 1
255 . 1 1 27 27 LEU HD21 H 1 0.885 0.020 . 2 . 214 . A 27 LEU HD21 . 34069 1
256 . 1 1 27 27 LEU HD22 H 1 0.885 0.020 . 2 . 214 . A 27 LEU HD22 . 34069 1
257 . 1 1 27 27 LEU HD23 H 1 0.885 0.020 . 2 . 214 . A 27 LEU HD23 . 34069 1
258 . 1 1 27 27 LEU CA C 13 55.084 0.200 . 1 . 207 . A 27 LEU CA . 34069 1
259 . 1 1 27 27 LEU CB C 13 42.172 0.200 . 1 . 209 . A 27 LEU CB . 34069 1
260 . 1 1 27 27 LEU N N 15 127.308 0.006 . 1 . 205 . A 27 LEU N . 34069 1
261 . 1 1 28 28 SER H H 1 8.439 0.001 . 1 . 216 . A 28 SER H . 34069 1
262 . 1 1 28 28 SER HA H 1 4.407 0.020 . 1 . 217 . A 28 SER HA . 34069 1
263 . 1 1 28 28 SER HB2 H 1 3.822 0.004 . 2 . 218 . A 28 SER HB2 . 34069 1
264 . 1 1 28 28 SER HB3 H 1 3.881 0.003 . 2 . 219 . A 28 SER HB3 . 34069 1
265 . 1 1 28 28 SER N N 15 117.197 0.025 . 1 . 215 . A 28 SER N . 34069 1
266 . 1 1 29 29 SER H H 1 8.495 0.020 . 1 . 221 . A 29 SER H . 34069 1
267 . 1 1 29 29 SER HA H 1 4.497 0.003 . 1 . 222 . A 29 SER HA . 34069 1
268 . 1 1 29 29 SER HB2 H 1 3.843 0.005 . 2 . 223 . A 29 SER HB2 . 34069 1
269 . 1 1 29 29 SER HB3 H 1 3.917 0.003 . 2 . 224 . A 29 SER HB3 . 34069 1
270 . 1 1 29 29 SER N N 15 118.045 0.200 . 1 . 220 . A 29 SER N . 34069 1
271 . 1 1 30 30 THR H H 1 8.227 0.020 . 1 . 226 . A 30 THR H . 34069 1
272 . 1 1 30 30 THR HA H 1 4.324 0.020 . 1 . 228 . A 30 THR HA . 34069 1
273 . 1 1 30 30 THR HB H 1 4.226 0.001 . 1 . 230 . A 30 THR HB . 34069 1
274 . 1 1 30 30 THR HG21 H 1 1.167 0.020 . 1 . 231 . A 30 THR HG21 . 34069 1
275 . 1 1 30 30 THR HG22 H 1 1.167 0.020 . 1 . 231 . A 30 THR HG22 . 34069 1
276 . 1 1 30 30 THR HG23 H 1 1.167 0.020 . 1 . 231 . A 30 THR HG23 . 34069 1
277 . 1 1 30 30 THR CA C 13 61.989 0.200 . 1 . 227 . A 30 THR CA . 34069 1
278 . 1 1 30 30 THR CB C 13 69.508 0.200 . 1 . 229 . A 30 THR CB . 34069 1
279 . 1 1 30 30 THR N N 15 115.309 0.015 . 1 . 225 . A 30 THR N . 34069 1
280 . 1 1 31 31 ASN H H 1 8.473 0.020 . 1 . 233 . A 31 ASN H . 34069 1
281 . 1 1 31 31 ASN HA H 1 4.738 0.002 . 1 . 234 . A 31 ASN HA . 34069 1
282 . 1 1 31 31 ASN HB2 H 1 2.716 0.006 . 2 . 235 . A 31 ASN HB2 . 34069 1
283 . 1 1 31 31 ASN HB3 H 1 2.806 0.011 . 2 . 236 . A 31 ASN HB3 . 34069 1
284 . 1 1 31 31 ASN HD21 H 1 7.649 0.020 . 1 . 237 . A 31 ASN HD21 . 34069 1
285 . 1 1 31 31 ASN HD22 H 1 6.965 0.002 . 1 . 238 . A 31 ASN HD22 . 34069 1
286 . 1 1 31 31 ASN N N 15 121.590 0.049 . 1 . 232 . A 31 ASN N . 34069 1
287 . 1 1 32 32 VAL H H 1 8.246 0.006 . 1 . 240 . A 32 VAL H . 34069 1
288 . 1 1 32 32 VAL HA H 1 4.082 0.020 . 1 . 242 . A 32 VAL HA . 34069 1
289 . 1 1 32 32 VAL HB H 1 2.097 0.007 . 1 . 244 . A 32 VAL HB . 34069 1
290 . 1 1 32 32 VAL HG11 H 1 0.909 0.015 . 1 . 245 . A 32 VAL HG11 . 34069 1
291 . 1 1 32 32 VAL HG12 H 1 0.909 0.015 . 1 . 245 . A 32 VAL HG12 . 34069 1
292 . 1 1 32 32 VAL HG13 H 1 0.909 0.015 . 1 . 245 . A 32 VAL HG13 . 34069 1
293 . 1 1 32 32 VAL HG21 H 1 0.909 0.015 . 1 . 246 . A 32 VAL HG21 . 34069 1
294 . 1 1 32 32 VAL HG22 H 1 0.909 0.015 . 1 . 246 . A 32 VAL HG22 . 34069 1
295 . 1 1 32 32 VAL HG23 H 1 0.909 0.015 . 1 . 246 . A 32 VAL HG23 . 34069 1
296 . 1 1 32 32 VAL CA C 13 62.722 0.200 . 1 . 241 . A 32 VAL CA . 34069 1
297 . 1 1 32 32 VAL CB C 13 32.484 0.200 . 1 . 243 . A 32 VAL CB . 34069 1
298 . 1 1 32 32 VAL N N 15 120.808 0.035 . 1 . 239 . A 32 VAL N . 34069 1
299 . 1 1 33 33 GLY H H 1 8.591 0.005 . 1 . 248 . A 33 GLY H . 34069 1
300 . 1 1 33 33 GLY HA2 H 1 3.966 0.020 . 1 . 285 . A 33 GLY HA2 . 34069 1
301 . 1 1 33 33 GLY HA3 H 1 3.966 0.020 . 1 . 249 . A 33 GLY HA3 . 34069 1
302 . 1 1 33 33 GLY N N 15 112.627 0.029 . 1 . 247 . A 33 GLY N . 34069 1
303 . 1 1 34 34 SER H H 1 8.288 0.002 . 1 . 251 . A 34 SER H . 34069 1
304 . 1 1 34 34 SER HA H 1 4.410 0.020 . 1 . 252 . A 34 SER HA . 34069 1
305 . 1 1 34 34 SER HB2 H 1 3.822 0.005 . 2 . 253 . A 34 SER HB2 . 34069 1
306 . 1 1 34 34 SER HB3 H 1 3.862 0.006 . 2 . 254 . A 34 SER HB3 . 34069 1
307 . 1 1 34 34 SER N N 15 115.706 0.041 . 1 . 250 . A 34 SER N . 34069 1
308 . 1 1 35 35 ASN H H 1 8.597 0.020 . 1 . 256 . A 35 ASN H . 34069 1
309 . 1 1 35 35 ASN HA H 1 4.736 0.020 . 1 . 257 . A 35 ASN HA . 34069 1
310 . 1 1 35 35 ASN HB2 H 1 2.728 0.001 . 2 . 258 . A 35 ASN HB2 . 34069 1
311 . 1 1 35 35 ASN HB3 H 1 2.758 0.020 . 2 . 259 . A 35 ASN HB3 . 34069 1
312 . 1 1 35 35 ASN HD21 H 1 7.646 0.020 . 1 . 260 . A 35 ASN HD21 . 34069 1
313 . 1 1 35 35 ASN HD22 H 1 7.646 0.020 . 1 . 286 . A 35 ASN HD22 . 34069 1
314 . 1 1 35 35 ASN N N 15 120.865 0.075 . 1 . 255 . A 35 ASN N . 34069 1
315 . 1 1 36 36 THR H H 1 8.134 0.020 . 1 . 262 . A 36 THR H . 34069 1
316 . 1 1 36 36 THR HA H 1 4.202 0.029 . 1 . 264 . A 36 THR HA . 34069 1
317 . 1 1 36 36 THR HB H 1 4.080 0.020 . 1 . 266 . A 36 THR HB . 34069 1
318 . 1 1 36 36 THR HG21 H 1 1.046 0.014 . 1 . 267 . A 36 THR HG21 . 34069 1
319 . 1 1 36 36 THR HG22 H 1 1.046 0.014 . 1 . 267 . A 36 THR HG22 . 34069 1
320 . 1 1 36 36 THR HG23 H 1 1.046 0.014 . 1 . 267 . A 36 THR HG23 . 34069 1
321 . 1 1 36 36 THR CA C 13 62.273 0.200 . 1 . 263 . A 36 THR CA . 34069 1
322 . 1 1 36 36 THR CB C 13 69.537 0.200 . 1 . 265 . A 36 THR CB . 34069 1
323 . 1 1 36 36 THR N N 15 114.523 0.011 . 1 . 261 . A 36 THR N . 34069 1
324 . 1 1 37 37 TYC H H 1 8.210 0.002 . 1 . 269 . A 37 TYC H . 34069 1
325 . 1 1 37 37 TYC N N 15 122.839 0.065 . 1 . 268 . A 37 TYC N . 34069 1
326 . 1 1 37 37 TYC CA C 13 57.666 0.200 . 1 . 270 . A 37 TYC CA . 34069 1
327 . 1 1 37 37 TYC CB C 13 38.686 0.200 . 1 . 272 . A 37 TYC CB . 34069 1
328 . 1 1 37 37 TYC HA H 1 4.511 0.020 . 1 . 271 . A 37 TYC HA . 34069 1
329 . 1 1 37 37 TYC HB1 H 1 3.073 0.020 . 2 . 274 . A 37 TYC HB1 . 34069 1
330 . 1 1 37 37 TYC HB2 H 1 2.907 0.020 . 2 . 273 . A 37 TYC HB2 . 34069 1
331 . 1 1 37 37 TYC HD1 H 1 7.130 0.020 . 3 . 275 . A 37 TYC HD1 . 34069 1
332 . 1 1 37 37 TYC HD2 H 1 7.130 0.020 . 3 . 275 . A 37 TYC HD2 . 34069 1
333 . 1 1 37 37 TYC HE1 H 1 6.787 0.020 . 3 . 276 . A 37 TYC HE1 . 34069 1
334 . 1 1 37 37 TYC HE2 H 1 6.787 0.020 . 3 . 276 . A 37 TYC HE2 . 34069 1
335 . 1 1 37 37 TYC HT21 H 1 7.159 0.020 . 1 . 287 . A 37 TYC HT21 . 34069 1
336 . 1 1 37 37 TYC HT22 H 1 7.519 0.020 . 1 . 288 . A 37 TYC HT22 . 34069 1
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