Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 25736
_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 $chemical_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5aay/ebi/nemo.nmr.data.csh'
_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 NOESY 1 $sample_1 solution 25736 1
2 TOCSY 1 $sample_1 solution 25736 1
3 DQF-COSY 1 $sample_1 solution 25736 1
4 HSQC 1 $sample_1 solution 25736 1
5 HNCACB 1 $sample_1 solution 25736 1
6 CBCACONH 1 $sample_1 solution 25736 1
7 HNCO 1 $sample_1 solution 25736 1
8 HNCACO 1 $sample_1 solution 25736 1
9 HNHB 1 $sample_1 solution 25736 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
3 $CNS . . 25736 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 SER H H 1 8.319 0.01 . 1 . 1 . . 2 SER H . 25736 1
2 . 1 1 2 2 SER HA H 1 4.706 0.01 . 1 . 2 . . 2 SER HA . 25736 1
3 . 1 1 2 2 SER HB2 H 1 3.649 0.01 . 2 . 3 . . 2 SER HB2 . 25736 1
4 . 1 1 2 2 SER HB3 H 1 3.790 0.01 . 2 . 4 . . 2 SER HB3 . 25736 1
5 . 1 1 3 3 PRO HA H 1 4.596 0.01 . 1 . 5 . . 3 PRO HA . 25736 1
6 . 1 1 3 3 PRO HB2 H 1 1.804 0.01 . 2 . 7 . . 3 PRO HB2 . 25736 1
7 . 1 1 3 3 PRO HB3 H 1 2.252 0.01 . 2 . 8 . . 3 PRO HB3 . 25736 1
8 . 1 1 3 3 PRO HG2 H 1 1.936 0.01 . 1 . 10 . . 3 PRO HG2 . 25736 1
9 . 1 1 3 3 PRO HG3 H 1 1.936 0.01 . 1 . 11 . . 3 PRO HG3 . 25736 1
10 . 1 1 3 3 PRO HD2 H 1 3.773 0.01 . 2 . 13 . . 3 PRO HD2 . 25736 1
11 . 1 1 3 3 PRO HD3 H 1 3.562 0.01 . 2 . 14 . . 3 PRO HD3 . 25736 1
12 . 1 1 3 3 PRO CB C 13 30.120 0.10 . 1 . 6 . . 3 PRO CB . 25736 1
13 . 1 1 3 3 PRO CG C 13 24.870 0.10 . 1 . 9 . . 3 PRO CG . 25736 1
14 . 1 1 3 3 PRO CD C 13 48.080 0.10 . 1 . 12 . . 3 PRO CD . 25736 1
15 . 1 1 4 4 PRO HA H 1 4.205 0.01 . 1 . 16 . . 4 PRO HA . 25736 1
16 . 1 1 4 4 PRO HB2 H 1 2.046 0.01 . 2 . 19 . . 4 PRO HB2 . 25736 1
17 . 1 1 4 4 PRO HB3 H 1 1.592 0.01 . 2 . 20 . . 4 PRO HB3 . 25736 1
18 . 1 1 4 4 PRO HG2 H 1 1.890 0.01 . 2 . 22 . . 4 PRO HG2 . 25736 1
19 . 1 1 4 4 PRO HG3 H 1 1.857 0.01 . 2 . 23 . . 4 PRO HG3 . 25736 1
20 . 1 1 4 4 PRO HD2 H 1 3.661 0.01 . 2 . 25 . . 4 PRO HD2 . 25736 1
21 . 1 1 4 4 PRO HD3 H 1 3.505 0.01 . 2 . 26 . . 4 PRO HD3 . 25736 1
22 . 1 1 4 4 PRO C C 13 176.430 0.10 . 1 . 17 . . 4 PRO C . 25736 1
23 . 1 1 4 4 PRO CA C 13 62.480 0.10 . 1 . 15 . . 4 PRO CA . 25736 1
24 . 1 1 4 4 PRO CB C 13 31.170 0.10 . 1 . 18 . . 4 PRO CB . 25736 1
25 . 1 1 4 4 PRO CG C 13 24.840 0.10 . 1 . 21 . . 4 PRO CG . 25736 1
26 . 1 1 4 4 PRO CD C 13 47.740 0.10 . 1 . 24 . . 4 PRO CD . 25736 1
27 . 1 1 5 5 ASP H H 1 7.896 0.01 . 1 . 28 . . 5 ASP H . 25736 1
28 . 1 1 5 5 ASP HA H 1 4.221 0.01 . 1 . 30 . . 5 ASP HA . 25736 1
29 . 1 1 5 5 ASP HB2 H 1 2.143 0.01 . 1 . 33 . . 5 ASP HB2 . 25736 1
30 . 1 1 5 5 ASP HB3 H 1 2.143 0.01 . 1 . 34 . . 5 ASP HB3 . 25736 1
31 . 1 1 5 5 ASP C C 13 176.100 0.10 . 1 . 31 . . 5 ASP C . 25736 1
32 . 1 1 5 5 ASP CA C 13 53.410 0.10 . 1 . 29 . . 5 ASP CA . 25736 1
33 . 1 1 5 5 ASP CB C 13 40.730 0.10 . 1 . 32 . . 5 ASP CB . 25736 1
34 . 1 1 5 5 ASP N N 15 119.070 0.10 . 1 . 27 . . 5 ASP N . 25736 1
35 . 1 1 6 6 PHE H H 1 8.290 0.01 . 1 . 36 . . 6 PHE H . 25736 1
36 . 1 1 6 6 PHE HA H 1 4.586 0.01 . 1 . 38 . . 6 PHE HA . 25736 1
37 . 1 1 6 6 PHE HB2 H 1 2.965 0.01 . 1 . 41 . . 6 PHE HB2 . 25736 1
38 . 1 1 6 6 PHE HB3 H 1 3.004 0.01 . 1 . 42 . . 6 PHE HB3 . 25736 1
39 . 1 1 6 6 PHE HD1 H 1 6.970 0.01 . 1 . 43 . . 6 PHE HD1 . 25736 1
40 . 1 1 6 6 PHE HD2 H 1 6.970 0.01 . 1 . 44 . . 6 PHE HD2 . 25736 1
41 . 1 1 6 6 PHE HE1 H 1 7.239 0.01 . 1 . 45 . . 6 PHE HE1 . 25736 1
42 . 1 1 6 6 PHE HE2 H 1 7.239 0.01 . 1 . 46 . . 6 PHE HE2 . 25736 1
43 . 1 1 6 6 PHE C C 13 174.350 0.10 . 1 . 39 . . 6 PHE C . 25736 1
44 . 1 1 6 6 PHE CA C 13 55.420 0.10 . 1 . 37 . . 6 PHE CA . 25736 1
45 . 1 1 6 6 PHE CB C 13 37.480 0.10 . 1 . 40 . . 6 PHE CB . 25736 1
46 . 1 1 6 6 PHE N N 15 119.500 0.10 . 1 . 35 . . 6 PHE N . 25736 1
47 . 1 1 7 7 CYS H H 1 7.921 0.01 . 1 . 48 . . 7 CYS H . 25736 1
48 . 1 1 7 7 CYS HA H 1 5.145 0.01 . 1 . 50 . . 7 CYS HA . 25736 1
49 . 1 1 7 7 CYS HB2 H 1 2.525 0.01 . 2 . 53 . . 7 CYS HB2 . 25736 1
50 . 1 1 7 7 CYS HB3 H 1 2.598 0.01 . 2 . 54 . . 7 CYS HB3 . 25736 1
51 . 1 1 7 7 CYS C C 13 175.230 0.10 . 1 . 51 . . 7 CYS C . 25736 1
52 . 1 1 7 7 CYS CA C 13 56.250 0.10 . 1 . 49 . . 7 CYS CA . 25736 1
53 . 1 1 7 7 CYS CB C 13 28.710 0.10 . 1 . 52 . . 7 CYS CB . 25736 1
54 . 1 1 7 7 CYS N N 15 119.000 0.10 . 1 . 47 . . 7 CYS N . 25736 1
55 . 1 1 8 8 CYS H H 1 9.232 0.01 . 1 . 56 . . 8 CYS H . 25736 1
56 . 1 1 8 8 CYS HA H 1 4.482 0.01 . 1 . 58 . . 8 CYS HA . 25736 1
57 . 1 1 8 8 CYS HB2 H 1 3.263 0.01 . 1 . 61 . . 8 CYS HB2 . 25736 1
58 . 1 1 8 8 CYS HB3 H 1 2.717 0.01 . 1 . 62 . . 8 CYS HB3 . 25736 1
59 . 1 1 8 8 CYS C C 13 176.180 0.10 . 1 . 59 . . 8 CYS C . 25736 1
60 . 1 1 8 8 CYS CA C 13 56.300 0.10 . 1 . 57 . . 8 CYS CA . 25736 1
61 . 1 1 8 8 CYS CB C 13 31.280 0.10 . 1 . 60 . . 8 CYS CB . 25736 1
62 . 1 1 8 8 CYS N N 15 130.600 0.10 . 1 . 55 . . 8 CYS N . 25736 1
63 . 1 1 9 9 PRO HA H 1 4.465 0.01 . 1 . 64 . . 9 PRO HA . 25736 1
64 . 1 1 9 9 PRO HB2 H 1 1.978 0.01 . 2 . 67 . . 9 PRO HB2 . 25736 1
65 . 1 1 9 9 PRO HB3 H 1 2.342 0.01 . 2 . 68 . . 9 PRO HB3 . 25736 1
66 . 1 1 9 9 PRO HG2 H 1 2.033 0.01 . 2 . 70 . . 9 PRO HG2 . 25736 1
67 . 1 1 9 9 PRO HG3 H 1 2.102 0.01 . 2 . 71 . . 9 PRO HG3 . 25736 1
68 . 1 1 9 9 PRO HD2 H 1 4.040 0.01 . 2 . 73 . . 9 PRO HD2 . 25736 1
69 . 1 1 9 9 PRO HD3 H 1 4.191 0.01 . 2 . 74 . . 9 PRO HD3 . 25736 1
70 . 1 1 9 9 PRO C C 13 177.610 0.10 . 1 . 65 . . 9 PRO C . 25736 1
71 . 1 1 9 9 PRO CA C 13 63.580 0.10 . 1 . 63 . . 9 PRO CA . 25736 1
72 . 1 1 9 9 PRO CB C 13 31.750 0.10 . 1 . 66 . . 9 PRO CB . 25736 1
73 . 1 1 9 9 PRO CG C 13 24.610 0.10 . 1 . 69 . . 9 PRO CG . 25736 1
74 . 1 1 9 9 PRO CD C 13 48.730 0.10 . 1 . 72 . . 9 PRO CD . 25736 1
75 . 1 1 10 10 LYS H H 1 9.192 0.01 . 1 . 76 . . 10 LYS H . 25736 1
76 . 1 1 10 10 LYS HA H 1 4.328 0.01 . 1 . 78 . . 10 LYS HA . 25736 1
77 . 1 1 10 10 LYS HB2 H 1 1.859 0.01 . 1 . 81 . . 10 LYS HB2 . 25736 1
78 . 1 1 10 10 LYS HB3 H 1 2.011 0.01 . 1 . 82 . . 10 LYS HB3 . 25736 1
79 . 1 1 10 10 LYS HG2 H 1 1.351 0.01 . 2 . 84 . . 10 LYS HG2 . 25736 1
80 . 1 1 10 10 LYS HG3 H 1 1.284 0.01 . 2 . 85 . . 10 LYS HG3 . 25736 1
81 . 1 1 10 10 LYS HD2 H 1 1.802 0.01 . 2 . 87 . . 10 LYS HD2 . 25736 1
82 . 1 1 10 10 LYS HD3 H 1 1.647 0.01 . 2 . 88 . . 10 LYS HD3 . 25736 1
83 . 1 1 10 10 LYS HE2 H 1 3.028 0.01 . 2 . 90 . . 10 LYS HE2 . 25736 1
84 . 1 1 10 10 LYS HE3 H 1 2.911 0.01 . 2 . 91 . . 10 LYS HE3 . 25736 1
85 . 1 1 10 10 LYS C C 13 177.900 0.10 . 1 . 79 . . 10 LYS C . 25736 1
86 . 1 1 10 10 LYS CA C 13 57.730 0.10 . 1 . 77 . . 10 LYS CA . 25736 1
87 . 1 1 10 10 LYS CB C 13 33.230 0.10 . 1 . 80 . . 10 LYS CB . 25736 1
88 . 1 1 10 10 LYS CG C 13 22.960 0.10 . 1 . 83 . . 10 LYS CG . 25736 1
89 . 1 1 10 10 LYS CD C 13 26.870 0.10 . 1 . 86 . . 10 LYS CD . 25736 1
90 . 1 1 10 10 LYS CE C 13 39.860 0.10 . 1 . 89 . . 10 LYS CE . 25736 1
91 . 1 1 10 10 LYS N N 15 121.430 0.10 . 1 . 75 . . 10 LYS N . 25736 1
92 . 1 1 11 11 CYS H H 1 8.207 0.01 . 1 . 93 . . 11 CYS H . 25736 1
93 . 1 1 11 11 CYS HA H 1 5.002 0.01 . 1 . 95 . . 11 CYS HA . 25736 1
94 . 1 1 11 11 CYS HB2 H 1 3.266 0.01 . 1 . 98 . . 11 CYS HB2 . 25736 1
95 . 1 1 11 11 CYS HB3 H 1 2.363 0.01 . 1 . 99 . . 11 CYS HB3 . 25736 1
96 . 1 1 11 11 CYS C C 13 176.450 0.10 . 1 . 96 . . 11 CYS C . 25736 1
97 . 1 1 11 11 CYS CA C 13 57.940 0.10 . 1 . 94 . . 11 CYS CA . 25736 1
98 . 1 1 11 11 CYS CB C 13 32.070 0.10 . 1 . 97 . . 11 CYS CB . 25736 1
99 . 1 1 11 11 CYS N N 15 117.970 0.10 . 1 . 92 . . 11 CYS N . 25736 1
100 . 1 1 12 12 GLN H H 1 7.967 0.01 . 1 . 101 . . 12 GLN H . 25736 1
101 . 1 1 12 12 GLN HA H 1 4.086 0.01 . 1 . 103 . . 12 GLN HA . 25736 1
102 . 1 1 12 12 GLN HB2 H 1 2.234 0.01 . 2 . 106 . . 12 GLN HB2 . 25736 1
103 . 1 1 12 12 GLN HB3 H 1 2.337 0.01 . 2 . 107 . . 12 GLN HB3 . 25736 1
104 . 1 1 12 12 GLN HG2 H 1 2.205 0.01 . 1 . 109 . . 12 GLN HG2 . 25736 1
105 . 1 1 12 12 GLN HG3 H 1 2.205 0.01 . 1 . 110 . . 12 GLN HG3 . 25736 1
106 . 1 1 12 12 GLN HE21 H 1 6.445 0.01 . 1 . 111 . . 12 GLN HE21 . 25736 1
107 . 1 1 12 12 GLN HE22 H 1 7.280 0.01 . 1 . 112 . . 12 GLN HE22 . 25736 1
108 . 1 1 12 12 GLN C C 13 175.230 0.10 . 1 . 104 . . 12 GLN C . 25736 1
109 . 1 1 12 12 GLN CA C 13 57.940 0.10 . 1 . 102 . . 12 GLN CA . 25736 1
110 . 1 1 12 12 GLN CB C 13 25.310 0.10 . 1 . 105 . . 12 GLN CB . 25736 1
111 . 1 1 12 12 GLN CG C 13 32.040 0.10 . 1 . 108 . . 12 GLN CG . 25736 1
112 . 1 1 12 12 GLN N N 15 116.020 0.10 . 1 . 100 . . 12 GLN N . 25736 1
113 . 1 1 13 13 TYR H H 1 8.762 0.01 . 1 . 114 . . 13 TYR H . 25736 1
114 . 1 1 13 13 TYR HA H 1 4.131 0.01 . 1 . 116 . . 13 TYR HA . 25736 1
115 . 1 1 13 13 TYR HB2 H 1 2.004 0.01 . 1 . 119 . . 13 TYR HB2 . 25736 1
116 . 1 1 13 13 TYR HB3 H 1 2.960 0.01 . 1 . 120 . . 13 TYR HB3 . 25736 1
117 . 1 1 13 13 TYR HD1 H 1 6.331 0.01 . 1 . 121 . . 13 TYR HD1 . 25736 1
118 . 1 1 13 13 TYR HD2 H 1 6.331 0.01 . 1 . 122 . . 13 TYR HD2 . 25736 1
119 . 1 1 13 13 TYR HE1 H 1 6.433 0.01 . 1 . 123 . . 13 TYR HE1 . 25736 1
120 . 1 1 13 13 TYR HE2 H 1 6.433 0.01 . 1 . 124 . . 13 TYR HE2 . 25736 1
121 . 1 1 13 13 TYR C C 13 173.980 0.10 . 1 . 117 . . 13 TYR C . 25736 1
122 . 1 1 13 13 TYR CA C 13 58.800 0.10 . 1 . 115 . . 13 TYR CA . 25736 1
123 . 1 1 13 13 TYR CB C 13 39.330 0.10 . 1 . 118 . . 13 TYR CB . 25736 1
124 . 1 1 13 13 TYR N N 15 124.050 0.10 . 1 . 113 . . 13 TYR N . 25736 1
125 . 1 1 14 14 GLN H H 1 7.662 0.01 . 1 . 126 . . 14 GLN H . 25736 1
126 . 1 1 14 14 GLN HA H 1 4.362 0.01 . 1 . 128 . . 14 GLN HA . 25736 1
127 . 1 1 14 14 GLN HB2 H 1 1.719 0.01 . 2 . 131 . . 14 GLN HB2 . 25736 1
128 . 1 1 14 14 GLN HB3 H 1 1.624 0.01 . 2 . 132 . . 14 GLN HB3 . 25736 1
129 . 1 1 14 14 GLN HG2 H 1 2.084 0.01 . 2 . 134 . . 14 GLN HG2 . 25736 1
130 . 1 1 14 14 GLN HG3 H 1 2.181 0.01 . 2 . 135 . . 14 GLN HG3 . 25736 1
131 . 1 1 14 14 GLN HE21 H 1 6.760 0.01 . 1 . 136 . . 14 GLN HE21 . 25736 1
132 . 1 1 14 14 GLN HE22 H 1 7.552 0.01 . 1 . 137 . . 14 GLN HE22 . 25736 1
133 . 1 1 14 14 GLN C C 13 173.930 0.10 . 1 . 129 . . 14 GLN C . 25736 1
134 . 1 1 14 14 GLN CA C 13 53.240 0.10 . 1 . 127 . . 14 GLN CA . 25736 1
135 . 1 1 14 14 GLN CB C 13 28.450 0.10 . 1 . 130 . . 14 GLN CB . 25736 1
136 . 1 1 14 14 GLN CG C 13 30.960 0.10 . 1 . 133 . . 14 GLN CG . 25736 1
137 . 1 1 14 14 GLN N N 15 127.580 0.10 . 1 . 125 . . 14 GLN N . 25736 1
138 . 1 1 15 15 ALA H H 1 8.260 0.01 . 1 . 139 . . 15 ALA H . 25736 1
139 . 1 1 15 15 ALA HA H 1 4.335 0.01 . 1 . 141 . . 15 ALA HA . 25736 1
140 . 1 1 15 15 ALA HB1 H 1 1.419 0.01 . 1 . 144 . . 15 ALA HB1 . 25736 1
141 . 1 1 15 15 ALA HB2 H 1 1.419 0.01 . 1 . 144 . . 15 ALA HB2 . 25736 1
142 . 1 1 15 15 ALA HB3 H 1 1.419 0.01 . 1 . 144 . . 15 ALA HB3 . 25736 1
143 . 1 1 15 15 ALA C C 13 176.830 0.10 . 1 . 142 . . 15 ALA C . 25736 1
144 . 1 1 15 15 ALA CA C 13 48.400 0.10 . 1 . 140 . . 15 ALA CA . 25736 1
145 . 1 1 15 15 ALA CB C 13 20.220 0.10 . 1 . 143 . . 15 ALA CB . 25736 1
146 . 1 1 15 15 ALA N N 15 127.850 0.10 . 1 . 138 . . 15 ALA N . 25736 1
147 . 1 1 16 16 PRO HA H 1 3.616 0.01 . 1 . 146 . . 16 PRO HA . 25736 1
148 . 1 1 16 16 PRO HB2 H 1 2.230 0.01 . 2 . 149 . . 16 PRO HB2 . 25736 1
149 . 1 1 16 16 PRO HB3 H 1 1.925 0.01 . 2 . 150 . . 16 PRO HB3 . 25736 1
150 . 1 1 16 16 PRO HG2 H 1 2.072 0.01 . 2 . 152 . . 16 PRO HG2 . 25736 1
151 . 1 1 16 16 PRO HG3 H 1 1.961 0.01 . 2 . 153 . . 16 PRO HG3 . 25736 1
152 . 1 1 16 16 PRO HD2 H 1 3.624 0.01 . 2 . 155 . . 16 PRO HD2 . 25736 1
153 . 1 1 16 16 PRO HD3 H 1 3.704 0.01 . 2 . 156 . . 16 PRO HD3 . 25736 1
154 . 1 1 16 16 PRO C C 13 176.270 0.10 . 1 . 147 . . 16 PRO C . 25736 1
155 . 1 1 16 16 PRO CA C 13 62.830 0.10 . 1 . 145 . . 16 PRO CA . 25736 1
156 . 1 1 16 16 PRO CB C 13 31.660 0.10 . 1 . 148 . . 16 PRO CB . 25736 1
157 . 1 1 16 16 PRO CG C 13 24.370 0.10 . 1 . 151 . . 16 PRO CG . 25736 1
158 . 1 1 16 16 PRO CD C 13 47.770 0.10 . 1 . 154 . . 16 PRO CD . 25736 1
159 . 1 1 17 17 ASP H H 1 6.938 0.01 . 1 . 158 . . 17 ASP H . 25736 1
160 . 1 1 17 17 ASP HA H 1 3.669 0.01 . 1 . 160 . . 17 ASP HA . 25736 1
161 . 1 1 17 17 ASP HB2 H 1 2.700 0.01 . 2 . 163 . . 17 ASP HB2 . 25736 1
162 . 1 1 17 17 ASP HB3 H 1 2.735 0.01 . 2 . 164 . . 17 ASP HB3 . 25736 1
163 . 1 1 17 17 ASP C C 13 174.930 0.10 . 1 . 161 . . 17 ASP C . 25736 1
164 . 1 1 17 17 ASP CA C 13 51.530 0.10 . 1 . 159 . . 17 ASP CA . 25736 1
165 . 1 1 17 17 ASP CB C 13 41.100 0.10 . 1 . 162 . . 17 ASP CB . 25736 1
166 . 1 1 17 17 ASP N N 15 111.680 0.10 . 1 . 157 . . 17 ASP N . 25736 1
167 . 1 1 18 18 MET H H 1 8.164 0.01 . 1 . 166 . . 18 MET H . 25736 1
168 . 1 1 18 18 MET HA H 1 3.900 0.01 . 1 . 168 . . 18 MET HA . 25736 1
169 . 1 1 18 18 MET HB2 H 1 1.901 0.01 . 1 . 171 . . 18 MET HB2 . 25736 1
170 . 1 1 18 18 MET HB3 H 1 1.901 0.01 . 1 . 172 . . 18 MET HB3 . 25736 1
171 . 1 1 18 18 MET HG2 H 1 2.519 0.01 . 1 . 174 . . 18 MET HG2 . 25736 1
172 . 1 1 18 18 MET HG3 H 1 2.519 0.01 . 1 . 175 . . 18 MET HG3 . 25736 1
173 . 1 1 18 18 MET HE1 H 1 2.094 0.01 . 1 . 177 . . 18 MET HE1 . 25736 1
174 . 1 1 18 18 MET HE2 H 1 2.094 0.01 . 1 . 177 . . 18 MET HE2 . 25736 1
175 . 1 1 18 18 MET HE3 H 1 2.094 0.01 . 1 . 177 . . 18 MET HE3 . 25736 1
176 . 1 1 18 18 MET C C 13 178.430 0.10 . 1 . 169 . . 18 MET C . 25736 1
177 . 1 1 18 18 MET CA C 13 56.870 0.10 . 1 . 167 . . 18 MET CA . 25736 1
178 . 1 1 18 18 MET CB C 13 31.590 0.10 . 1 . 170 . . 18 MET CB . 25736 1
179 . 1 1 18 18 MET CG C 13 29.760 0.10 . 1 . 173 . . 18 MET CG . 25736 1
180 . 1 1 18 18 MET CE C 13 14.780 0.10 . 1 . 176 . . 18 MET CE . 25736 1
181 . 1 1 18 18 MET N N 15 118.140 0.10 . 1 . 165 . . 18 MET N . 25736 1
182 . 1 1 19 19 ASP H H 1 8.253 0.01 . 1 . 179 . . 19 ASP H . 25736 1
183 . 1 1 19 19 ASP HA H 1 4.261 0.01 . 1 . 181 . . 19 ASP HA . 25736 1
184 . 1 1 19 19 ASP HB2 H 1 2.523 0.01 . 1 . 184 . . 19 ASP HB2 . 25736 1
185 . 1 1 19 19 ASP HB3 H 1 2.523 0.01 . 1 . 185 . . 19 ASP HB3 . 25736 1
186 . 1 1 19 19 ASP C C 13 179.730 0.10 . 1 . 182 . . 19 ASP C . 25736 1
187 . 1 1 19 19 ASP CA C 13 57.070 0.10 . 1 . 180 . . 19 ASP CA . 25736 1
188 . 1 1 19 19 ASP CB C 13 39.690 0.10 . 1 . 183 . . 19 ASP CB . 25736 1
189 . 1 1 19 19 ASP N N 15 120.550 0.10 . 1 . 178 . . 19 ASP N . 25736 1
190 . 1 1 20 20 THR H H 1 8.636 0.01 . 1 . 187 . . 20 THR H . 25736 1
191 . 1 1 20 20 THR HA H 1 3.895 0.01 . 1 . 189 . . 20 THR HA . 25736 1
192 . 1 1 20 20 THR HB H 1 3.940 0.01 . 1 . 192 . . 20 THR HB . 25736 1
193 . 1 1 20 20 THR HG21 H 1 1.391 0.01 . 1 . 194 . . 20 THR HG21 . 25736 1
194 . 1 1 20 20 THR HG22 H 1 1.391 0.01 . 1 . 194 . . 20 THR HG22 . 25736 1
195 . 1 1 20 20 THR HG23 H 1 1.391 0.01 . 1 . 194 . . 20 THR HG23 . 25736 1
196 . 1 1 20 20 THR C C 13 178.170 0.10 . 1 . 190 . . 20 THR C . 25736 1
197 . 1 1 20 20 THR CA C 13 65.980 0.10 . 1 . 188 . . 20 THR CA . 25736 1
198 . 1 1 20 20 THR CB C 13 67.050 0.10 . 1 . 191 . . 20 THR CB . 25736 1
199 . 1 1 20 20 THR CG2 C 13 18.340 0.10 . 1 . 193 . . 20 THR CG2 . 25736 1
200 . 1 1 20 20 THR N N 15 115.780 0.10 . 1 . 186 . . 20 THR N . 25736 1
201 . 1 1 21 21 LEU H H 1 7.786 0.01 . 1 . 196 . . 21 LEU H . 25736 1
202 . 1 1 21 21 LEU HA H 1 4.088 0.01 . 1 . 198 . . 21 LEU HA . 25736 1
203 . 1 1 21 21 LEU HB2 H 1 2.222 0.01 . 1 . 201 . . 21 LEU HB2 . 25736 1
204 . 1 1 21 21 LEU HB3 H 1 1.418 0.01 . 1 . 202 . . 21 LEU HB3 . 25736 1
205 . 1 1 21 21 LEU HG H 1 1.697 0.01 . 1 . 204 . . 21 LEU HG . 25736 1
206 . 1 1 21 21 LEU HD11 H 1 0.858 0.01 . 2 . 206 . . 21 LEU HD11 . 25736 1
207 . 1 1 21 21 LEU HD12 H 1 0.858 0.01 . 2 . 206 . . 21 LEU HD12 . 25736 1
208 . 1 1 21 21 LEU HD13 H 1 0.858 0.01 . 2 . 206 . . 21 LEU HD13 . 25736 1
209 . 1 1 21 21 LEU HD21 H 1 0.953 0.01 . 2 . 208 . . 21 LEU HD21 . 25736 1
210 . 1 1 21 21 LEU HD22 H 1 0.953 0.01 . 2 . 208 . . 21 LEU HD22 . 25736 1
211 . 1 1 21 21 LEU HD23 H 1 0.953 0.01 . 2 . 208 . . 21 LEU HD23 . 25736 1
212 . 1 1 21 21 LEU C C 13 178.130 0.10 . 1 . 199 . . 21 LEU C . 25736 1
213 . 1 1 21 21 LEU CA C 13 58.010 0.10 . 1 . 197 . . 21 LEU CA . 25736 1
214 . 1 1 21 21 LEU CB C 13 39.970 0.10 . 1 . 200 . . 21 LEU CB . 25736 1
215 . 1 1 21 21 LEU CG C 13 24.270 0.10 . 1 . 203 . . 21 LEU CG . 25736 1
216 . 1 1 21 21 LEU CD1 C 13 19.480 0.10 . 1 . 205 . . 21 LEU CD1 . 25736 1
217 . 1 1 21 21 LEU CD2 C 13 23.390 0.10 . 1 . 207 . . 21 LEU CD2 . 25736 1
218 . 1 1 21 21 LEU N N 15 123.640 0.10 . 1 . 195 . . 21 LEU N . 25736 1
219 . 1 1 22 22 GLN H H 1 8.307 0.01 . 1 . 210 . . 22 GLN H . 25736 1
220 . 1 1 22 22 GLN HA H 1 4.001 0.01 . 1 . 212 . . 22 GLN HA . 25736 1
221 . 1 1 22 22 GLN HB2 H 1 2.121 0.01 . 2 . 215 . . 22 GLN HB2 . 25736 1
222 . 1 1 22 22 GLN HB3 H 1 2.197 0.01 . 2 . 216 . . 22 GLN HB3 . 25736 1
223 . 1 1 22 22 GLN HG2 H 1 2.514 0.01 . 2 . 218 . . 22 GLN HG2 . 25736 1
224 . 1 1 22 22 GLN HG3 H 1 2.461 0.01 . 2 . 219 . . 22 GLN HG3 . 25736 1
225 . 1 1 22 22 GLN HE21 H 1 6.887 0.01 . 1 . 220 . . 22 GLN HE21 . 25736 1
226 . 1 1 22 22 GLN HE22 H 1 7.223 0.01 . 1 . 221 . . 22 GLN HE22 . 25736 1
227 . 1 1 22 22 GLN C C 13 179.150 0.10 . 1 . 213 . . 22 GLN C . 25736 1
228 . 1 1 22 22 GLN CA C 13 58.520 0.10 . 1 . 211 . . 22 GLN CA . 25736 1
229 . 1 1 22 22 GLN CB C 13 27.460 0.10 . 1 . 214 . . 22 GLN CB . 25736 1
230 . 1 1 22 22 GLN CG C 13 31.500 0.10 . 1 . 217 . . 22 GLN CG . 25736 1
231 . 1 1 22 22 GLN N N 15 117.010 0.10 . 1 . 209 . . 22 GLN N . 25736 1
232 . 1 1 23 23 ILE H H 1 7.338 0.01 . 1 . 223 . . 23 ILE H . 25736 1
233 . 1 1 23 23 ILE HA H 1 3.732 0.01 . 1 . 225 . . 23 ILE HA . 25736 1
234 . 1 1 23 23 ILE HB H 1 1.867 0.01 . 1 . 228 . . 23 ILE HB . 25736 1
235 . 1 1 23 23 ILE HG12 H 1 1.675 0.01 . 2 . 230 . . 23 ILE HG12 . 25736 1
236 . 1 1 23 23 ILE HG13 H 1 1.168 0.01 . 2 . 231 . . 23 ILE HG13 . 25736 1
237 . 1 1 23 23 ILE HG21 H 1 0.877 0.01 . 1 . 233 . . 23 ILE HG21 . 25736 1
238 . 1 1 23 23 ILE HG22 H 1 0.877 0.01 . 1 . 233 . . 23 ILE HG22 . 25736 1
239 . 1 1 23 23 ILE HG23 H 1 0.877 0.01 . 1 . 233 . . 23 ILE HG23 . 25736 1
240 . 1 1 23 23 ILE HD11 H 1 0.804 0.01 . 1 . 235 . . 23 ILE HD11 . 25736 1
241 . 1 1 23 23 ILE HD12 H 1 0.804 0.01 . 1 . 235 . . 23 ILE HD12 . 25736 1
242 . 1 1 23 23 ILE HD13 H 1 0.804 0.01 . 1 . 235 . . 23 ILE HD13 . 25736 1
243 . 1 1 23 23 ILE C C 13 178.710 0.10 . 1 . 226 . . 23 ILE C . 25736 1
244 . 1 1 23 23 ILE CA C 13 63.930 0.10 . 1 . 224 . . 23 ILE CA . 25736 1
245 . 1 1 23 23 ILE CB C 13 37.720 0.10 . 1 . 227 . . 23 ILE CB . 25736 1
246 . 1 1 23 23 ILE CG1 C 13 26.290 0.10 . 1 . 229 . . 23 ILE CG1 . 25736 1
247 . 1 1 23 23 ILE CG2 C 13 14.730 0.10 . 1 . 232 . . 23 ILE CG2 . 25736 1
248 . 1 1 23 23 ILE CD1 C 13 10.350 0.10 . 1 . 234 . . 23 ILE CD1 . 25736 1
249 . 1 1 23 23 ILE N N 15 118.550 0.10 . 1 . 222 . . 23 ILE N . 25736 1
250 . 1 1 24 24 HIS H H 1 7.872 0.01 . 1 . 237 . . 24 HIS H . 25736 1
251 . 1 1 24 24 HIS HA H 1 4.065 0.01 . 1 . 239 . . 24 HIS HA . 25736 1
252 . 1 1 24 24 HIS HB2 H 1 3.580 0.01 . 1 . 242 . . 24 HIS HB2 . 25736 1
253 . 1 1 24 24 HIS HB3 H 1 3.099 0.01 . 1 . 243 . . 24 HIS HB3 . 25736 1
254 . 1 1 24 24 HIS HD2 H 1 6.935 0.01 . 1 . 244 . . 24 HIS HD2 . 25736 1
255 . 1 1 24 24 HIS HE1 H 1 7.520 0.01 . 1 . 245 . . 24 HIS HE1 . 25736 1
256 . 1 1 24 24 HIS C C 13 178.790 0.10 . 1 . 240 . . 24 HIS C . 25736 1
257 . 1 1 24 24 HIS CA C 13 59.690 0.10 . 1 . 238 . . 24 HIS CA . 25736 1
258 . 1 1 24 24 HIS CB C 13 27.260 0.10 . 1 . 241 . . 24 HIS CB . 25736 1
259 . 1 1 24 24 HIS N N 15 118.600 0.10 . 1 . 236 . . 24 HIS N . 25736 1
260 . 1 1 25 25 VAL H H 1 9.149 0.01 . 1 . 247 . . 25 VAL H . 25736 1
261 . 1 1 25 25 VAL HA H 1 3.613 0.01 . 1 . 249 . . 25 VAL HA . 25736 1
262 . 1 1 25 25 VAL HB H 1 2.230 0.01 . 1 . 252 . . 25 VAL HB . 25736 1
263 . 1 1 25 25 VAL HG11 H 1 1.154 0.01 . 2 . 254 . . 25 VAL HG11 . 25736 1
264 . 1 1 25 25 VAL HG12 H 1 1.154 0.01 . 2 . 254 . . 25 VAL HG12 . 25736 1
265 . 1 1 25 25 VAL HG13 H 1 1.154 0.01 . 2 . 254 . . 25 VAL HG13 . 25736 1
266 . 1 1 25 25 VAL HG21 H 1 1.337 0.01 . 2 . 256 . . 25 VAL HG21 . 25736 1
267 . 1 1 25 25 VAL HG22 H 1 1.337 0.01 . 2 . 256 . . 25 VAL HG22 . 25736 1
268 . 1 1 25 25 VAL HG23 H 1 1.337 0.01 . 2 . 256 . . 25 VAL HG23 . 25736 1
269 . 1 1 25 25 VAL C C 13 178.500 0.10 . 1 . 250 . . 25 VAL C . 25736 1
270 . 1 1 25 25 VAL CA C 13 65.990 0.10 . 1 . 248 . . 25 VAL CA . 25736 1
271 . 1 1 25 25 VAL CB C 13 31.520 0.10 . 1 . 251 . . 25 VAL CB . 25736 1
272 . 1 1 25 25 VAL CG1 C 13 19.020 0.10 . 1 . 253 . . 25 VAL CG1 . 25736 1
273 . 1 1 25 25 VAL CG2 C 13 19.810 0.10 . 1 . 255 . . 25 VAL CG2 . 25736 1
274 . 1 1 25 25 VAL N N 15 117.170 0.10 . 1 . 246 . . 25 VAL N . 25736 1
275 . 1 1 26 26 MET H H 1 7.358 0.01 . 1 . 258 . . 26 MET H . 25736 1
276 . 1 1 26 26 MET HA H 1 4.161 0.01 . 1 . 260 . . 26 MET HA . 25736 1
277 . 1 1 26 26 MET HB2 H 1 2.115 0.01 . 2 . 263 . . 26 MET HB2 . 25736 1
278 . 1 1 26 26 MET HB3 H 1 2.159 0.01 . 2 . 264 . . 26 MET HB3 . 25736 1
279 . 1 1 26 26 MET HG2 H 1 2.739 0.01 . 2 . 266 . . 26 MET HG2 . 25736 1
280 . 1 1 26 26 MET HG3 H 1 2.615 0.01 . 2 . 267 . . 26 MET HG3 . 25736 1
281 . 1 1 26 26 MET HE1 H 1 2.043 0.01 . 1 . 269 . . 26 MET HE1 . 25736 1
282 . 1 1 26 26 MET HE2 H 1 2.043 0.01 . 1 . 269 . . 26 MET HE2 . 25736 1
283 . 1 1 26 26 MET HE3 H 1 2.043 0.01 . 1 . 269 . . 26 MET HE3 . 25736 1
284 . 1 1 26 26 MET C C 13 177.650 0.10 . 1 . 261 . . 26 MET C . 25736 1
285 . 1 1 26 26 MET CA C 13 57.420 0.10 . 1 . 259 . . 26 MET CA . 25736 1
286 . 1 1 26 26 MET CB C 13 32.110 0.10 . 1 . 262 . . 26 MET CB . 25736 1
287 . 1 1 26 26 MET CG C 13 29.460 0.10 . 1 . 265 . . 26 MET CG . 25736 1
288 . 1 1 26 26 MET CE C 13 14.180 0.10 . 1 . 268 . . 26 MET CE . 25736 1
289 . 1 1 26 26 MET N N 15 116.810 0.10 . 1 . 257 . . 26 MET N . 25736 1
290 . 1 1 27 27 GLU H H 1 7.057 0.01 . 1 . 271 . . 27 GLU H . 25736 1
291 . 1 1 27 27 GLU HA H 1 4.303 0.01 . 1 . 273 . . 27 GLU HA . 25736 1
292 . 1 1 27 27 GLU HB2 H 1 1.804 0.01 . 2 . 276 . . 27 GLU HB2 . 25736 1
293 . 1 1 27 27 GLU HB3 H 1 1.950 0.01 . 2 . 277 . . 27 GLU HB3 . 25736 1
294 . 1 1 27 27 GLU HG2 H 1 2.119 0.01 . 2 . 279 . . 27 GLU HG2 . 25736 1
295 . 1 1 27 27 GLU HG3 H 1 2.166 0.01 . 2 . 280 . . 27 GLU HG3 . 25736 1
296 . 1 1 27 27 GLU C C 13 175.880 0.10 . 1 . 274 . . 27 GLU C . 25736 1
297 . 1 1 27 27 GLU CA C 13 55.120 0.10 . 1 . 272 . . 27 GLU CA . 25736 1
298 . 1 1 27 27 GLU CB C 13 30.260 0.10 . 1 . 275 . . 27 GLU CB . 25736 1
299 . 1 1 27 27 GLU CG C 13 33.510 0.10 . 1 . 278 . . 27 GLU CG . 25736 1
300 . 1 1 27 27 GLU N N 15 115.370 0.10 . 1 . 270 . . 27 GLU N . 25736 1
301 . 1 1 28 28 CYS H H 1 7.507 0.01 . 1 . 282 . . 28 CYS H . 25736 1
302 . 1 1 28 28 CYS HA H 1 3.855 0.01 . 1 . 284 . . 28 CYS HA . 25736 1
303 . 1 1 28 28 CYS HB2 H 1 2.543 0.01 . 1 . 287 . . 28 CYS HB2 . 25736 1
304 . 1 1 28 28 CYS HB3 H 1 1.984 0.01 . 1 . 288 . . 28 CYS HB3 . 25736 1
305 . 1 1 28 28 CYS C C 13 176.390 0.10 . 1 . 285 . . 28 CYS C . 25736 1
306 . 1 1 28 28 CYS CA C 13 60.760 0.10 . 1 . 283 . . 28 CYS CA . 25736 1
307 . 1 1 28 28 CYS CB C 13 28.700 0.10 . 1 . 286 . . 28 CYS CB . 25736 1
308 . 1 1 28 28 CYS N N 15 124.470 0.10 . 1 . 281 . . 28 CYS N . 25736 1
309 . 1 1 29 29 ILE H H 1 8.101 0.01 . 1 . 290 . . 29 ILE H . 25736 1
310 . 1 1 29 29 ILE HA H 1 4.234 0.01 . 1 . 292 . . 29 ILE HA . 25736 1
311 . 1 1 29 29 ILE HB H 1 1.973 0.01 . 1 . 295 . . 29 ILE HB . 25736 1
312 . 1 1 29 29 ILE HG12 H 1 1.091 0.01 . 2 . 297 . . 29 ILE HG12 . 25736 1
313 . 1 1 29 29 ILE HG13 H 1 1.364 0.01 . 2 . 298 . . 29 ILE HG13 . 25736 1
314 . 1 1 29 29 ILE HG21 H 1 0.846 0.01 . 1 . 300 . . 29 ILE HG21 . 25736 1
315 . 1 1 29 29 ILE HG22 H 1 0.846 0.01 . 1 . 300 . . 29 ILE HG22 . 25736 1
316 . 1 1 29 29 ILE HG23 H 1 0.846 0.01 . 1 . 300 . . 29 ILE HG23 . 25736 1
317 . 1 1 29 29 ILE HD11 H 1 0.851 0.01 . 1 . 302 . . 29 ILE HD11 . 25736 1
318 . 1 1 29 29 ILE HD12 H 1 0.851 0.01 . 1 . 302 . . 29 ILE HD12 . 25736 1
319 . 1 1 29 29 ILE HD13 H 1 0.851 0.01 . 1 . 302 . . 29 ILE HD13 . 25736 1
320 . 1 1 29 29 ILE C C 13 176.100 0.10 . 1 . 293 . . 29 ILE C . 25736 1
321 . 1 1 29 29 ILE CA C 13 60.710 0.10 . 1 . 291 . . 29 ILE CA . 25736 1
322 . 1 1 29 29 ILE CB C 13 38.450 0.10 . 1 . 294 . . 29 ILE CB . 25736 1
323 . 1 1 29 29 ILE CG1 C 13 24.450 0.10 . 1 . 296 . . 29 ILE CG1 . 25736 1
324 . 1 1 29 29 ILE CG2 C 13 15.280 0.10 . 1 . 299 . . 29 ILE CG2 . 25736 1
325 . 1 1 29 29 ILE CD1 C 13 11.310 0.10 . 1 . 301 . . 29 ILE CD1 . 25736 1
326 . 1 1 29 29 ILE N N 15 122.450 0.10 . 1 . 289 . . 29 ILE N . 25736 1
327 . 1 1 30 30 GLU H H 1 7.842 0.01 . 1 . 304 . . 30 GLU H . 25736 1
328 . 1 1 30 30 GLU HA H 1 3.964 0.01 . 1 . 306 . . 30 GLU HA . 25736 1
329 . 1 1 30 30 GLU HB2 H 1 1.745 0.01 . 2 . 309 . . 30 GLU HB2 . 25736 1
330 . 1 1 30 30 GLU HB3 H 1 1.984 0.01 . 2 . 310 . . 30 GLU HB3 . 25736 1
331 . 1 1 30 30 GLU HG2 H 1 2.178 0.01 . 1 . 312 . . 30 GLU HG2 . 25736 1
332 . 1 1 30 30 GLU HG3 H 1 2.178 0.01 . 1 . 313 . . 30 GLU HG3 . 25736 1
333 . 1 1 30 30 GLU C C 13 181.400 0.10 . 1 . 307 . . 30 GLU C . 25736 1
334 . 1 1 30 30 GLU CA C 13 57.840 0.10 . 1 . 305 . . 30 GLU CA . 25736 1
335 . 1 1 30 30 GLU CB C 13 30.120 0.10 . 1 . 308 . . 30 GLU CB . 25736 1
336 . 1 1 30 30 GLU CG C 13 34.320 0.10 . 1 . 311 . . 30 GLU CG . 25736 1
337 . 1 1 30 30 GLU N N 15 129.230 0.10 . 1 . 303 . . 30 GLU N . 25736 1
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