save_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 5801
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $cond_set_1
_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 $sample_1 . 5801 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 VAL H H 1 8.311 0.000 . 1 . . . . . . . . 5801 1
2 . 1 1 1 1 VAL HA H 1 4.136 0.001 . 1 . . . . . . . . 5801 1
3 . 1 1 1 1 VAL HB H 1 2.047 0.001 . 1 . . . . . . . . 5801 1
4 . 1 1 1 1 VAL HG11 H 1 0.973 0.001 . 1 . . . . . . . . 5801 1
5 . 1 1 1 1 VAL HG12 H 1 0.973 0.001 . 1 . . . . . . . . 5801 1
6 . 1 1 1 1 VAL HG13 H 1 0.973 0.001 . 1 . . . . . . . . 5801 1
7 . 1 1 1 1 VAL HG21 H 1 0.973 0.001 . 1 . . . . . . . . 5801 1
8 . 1 1 1 1 VAL HG22 H 1 0.973 0.001 . 1 . . . . . . . . 5801 1
9 . 1 1 1 1 VAL HG23 H 1 0.973 0.001 . 1 . . . . . . . . 5801 1
10 . 1 1 1 1 VAL N N 15 121.039 0.002 . 1 . . . . . . . . 5801 1
11 . 1 1 2 2 VAL H H 1 8.301 0.005 . 1 . . . . . . . . 5801 1
12 . 1 1 2 2 VAL HA H 1 4.139 0.004 . 1 . . . . . . . . 5801 1
13 . 1 1 2 2 VAL HB H 1 2.048 0.002 . 1 . . . . . . . . 5801 1
14 . 1 1 2 2 VAL HG11 H 1 0.927 0.003 . 1 . . . . . . . . 5801 1
15 . 1 1 2 2 VAL HG12 H 1 0.927 0.003 . 1 . . . . . . . . 5801 1
16 . 1 1 2 2 VAL HG13 H 1 0.927 0.003 . 1 . . . . . . . . 5801 1
17 . 1 1 2 2 VAL HG21 H 1 0.927 0.003 . 1 . . . . . . . . 5801 1
18 . 1 1 2 2 VAL HG22 H 1 0.927 0.003 . 1 . . . . . . . . 5801 1
19 . 1 1 2 2 VAL HG23 H 1 0.927 0.003 . 1 . . . . . . . . 5801 1
20 . 1 1 2 2 VAL N N 15 124.902 0.006 . 1 . . . . . . . . 5801 1
21 . 1 1 3 3 SER H H 1 8.370 0.000 . 1 . . . . . . . . 5801 1
22 . 1 1 3 3 SER HA H 1 4.419 0.001 . 1 . . . . . . . . 5801 1
23 . 1 1 3 3 SER HB2 H 1 3.774 0.001 . 2 . . . . . . . . 5801 1
24 . 1 1 3 3 SER HB3 H 1 3.727 0.002 . 2 . . . . . . . . 5801 1
25 . 1 1 3 3 SER N N 15 119.847 0.016 . 1 . . . . . . . . 5801 1
26 . 1 1 4 4 HIS H H 1 8.481 0.000 . 1 . . . . . . . . 5801 1
27 . 1 1 4 4 HIS HA H 1 4.442 0.001 . 1 . . . . . . . . 5801 1
28 . 1 1 4 4 HIS HB2 H 1 3.777 0.001 . 2 . . . . . . . . 5801 1
29 . 1 1 4 4 HIS HB3 H 1 3.731 0.001 . 2 . . . . . . . . 5801 1
30 . 1 1 4 4 HIS HD2 H 1 8.385 0.001 . 2 . . . . . . . . 5801 1
31 . 1 1 4 4 HIS N N 15 120.296 0.013 . 1 . . . . . . . . 5801 1
32 . 1 1 5 5 PHE H H 1 8.238 0.000 . 1 . . . . . . . . 5801 1
33 . 1 1 5 5 PHE HA H 1 4.773 0.005 . 1 . . . . . . . . 5801 1
34 . 1 1 5 5 PHE HB2 H 1 3.162 0.002 . 2 . . . . . . . . 5801 1
35 . 1 1 5 5 PHE HB3 H 1 3.009 0.002 . 2 . . . . . . . . 5801 1
36 . 1 1 5 5 PHE HD1 H 1 7.235 0.001 . 1 . . . . . . . . 5801 1
37 . 1 1 5 5 PHE HD2 H 1 7.235 0.001 . 1 . . . . . . . . 5801 1
38 . 1 1 5 5 PHE HE1 H 1 7.366 0.002 . 1 . . . . . . . . 5801 1
39 . 1 1 5 5 PHE HE2 H 1 7.366 0.002 . 1 . . . . . . . . 5801 1
40 . 1 1 5 5 PHE N N 15 121.109 0.017 . 1 . . . . . . . . 5801 1
41 . 1 1 6 6 ASN H H 1 8.649 0.012 . 1 . . . . . . . . 5801 1
42 . 1 1 6 6 ASN HA H 1 4.931 0.003 . 1 . . . . . . . . 5801 1
43 . 1 1 6 6 ASN HB2 H 1 3.000 0.002 . 2 . . . . . . . . 5801 1
44 . 1 1 6 6 ASN HB3 H 1 2.843 0.000 . 2 . . . . . . . . 5801 1
45 . 1 1 6 6 ASN HD21 H 1 6.991 0.000 . 2 . . . . . . . . 5801 1
46 . 1 1 6 6 ASN HD22 H 1 7.648 0.000 . 2 . . . . . . . . 5801 1
47 . 1 1 6 6 ASN N N 15 119.595 0.000 . 1 . . . . . . . . 5801 1
48 . 1 1 7 7 ASP H H 1 8.277 0.004 . 1 . . . . . . . . 5801 1
49 . 1 1 7 7 ASP HA H 1 4.765 0.002 . 1 . . . . . . . . 5801 1
50 . 1 1 7 7 ASP HB2 H 1 2.810 0.003 . 2 . . . . . . . . 5801 1
51 . 1 1 7 7 ASP HB3 H 1 2.656 0.003 . 2 . . . . . . . . 5801 1
52 . 1 1 7 7 ASP N N 15 120.406 0.013 . 1 . . . . . . . . 5801 1
53 . 1 1 8 8 CYS H H 1 8.594 0.000 . 1 . . . . . . . . 5801 1
54 . 1 1 8 8 CYS HA H 1 4.432 0.001 . 1 . . . . . . . . 5801 1
55 . 1 1 8 8 CYS HB2 H 1 3.157 0.002 . 2 . . . . . . . . 5801 1
56 . 1 1 8 8 CYS HB3 H 1 3.003 0.002 . 2 . . . . . . . . 5801 1
57 . 1 1 8 8 CYS N N 15 118.712 0.000 . 1 . . . . . . . . 5801 1
58 . 1 1 9 9 PRO HA H 1 4.469 0.005 . 1 . . . . . . . . 5801 1
59 . 1 1 9 9 PRO HB2 H 1 2.198 0.003 . 2 . . . . . . . . 5801 1
60 . 1 1 9 9 PRO HB3 H 1 1.959 0.003 . 2 . . . . . . . . 5801 1
61 . 1 1 9 9 PRO HG2 H 1 1.712 0.003 . 1 . . . . . . . . 5801 1
62 . 1 1 9 9 PRO HG3 H 1 1.712 0.003 . 1 . . . . . . . . 5801 1
63 . 1 1 9 9 PRO HD2 H 1 3.258 0.001 . 2 . . . . . . . . 5801 1
64 . 1 1 9 9 PRO HD3 H 1 2.887 0.001 . 2 . . . . . . . . 5801 1
65 . 1 1 10 10 LEU H H 1 8.363 0.000 . 1 . . . . . . . . 5801 1
66 . 1 1 10 10 LEU HA H 1 4.125 0.001 . 1 . . . . . . . . 5801 1
67 . 1 1 10 10 LEU HB2 H 1 1.633 0.002 . 1 . . . . . . . . 5801 1
68 . 1 1 10 10 LEU HB3 H 1 1.633 0.002 . 1 . . . . . . . . 5801 1
69 . 1 1 10 10 LEU HD11 H 1 0.902 0.003 . 1 . . . . . . . . 5801 1
70 . 1 1 10 10 LEU HD12 H 1 0.902 0.003 . 1 . . . . . . . . 5801 1
71 . 1 1 10 10 LEU HD13 H 1 0.902 0.003 . 1 . . . . . . . . 5801 1
72 . 1 1 10 10 LEU HD21 H 1 0.902 0.003 . 1 . . . . . . . . 5801 1
73 . 1 1 10 10 LEU HD22 H 1 0.902 0.003 . 1 . . . . . . . . 5801 1
74 . 1 1 10 10 LEU HD23 H 1 0.902 0.003 . 1 . . . . . . . . 5801 1
75 . 1 1 10 10 LEU N N 15 122.888 0.001 . 1 . . . . . . . . 5801 1
76 . 1 1 11 11 SER H H 1 8.131 0.000 . 1 . . . . . . . . 5801 1
77 . 1 1 11 11 SER HA H 1 4.204 0.001 . 1 . . . . . . . . 5801 1
78 . 1 1 11 11 SER HB2 H 1 3.963 0.002 . 2 . . . . . . . . 5801 1
79 . 1 1 11 11 SER HB3 H 1 3.922 0.001 . 2 . . . . . . . . 5801 1
80 . 1 1 11 11 SER N N 15 113.326 0.006 . 1 . . . . . . . . 5801 1
81 . 1 1 12 12 HIS H H 1 8.429 0.000 . 1 . . . . . . . . 5801 1
82 . 1 1 12 12 HIS HA H 1 4.776 0.000 . 1 . . . . . . . . 5801 1
83 . 1 1 12 12 HIS HB2 H 1 3.089 0.003 . 1 . . . . . . . . 5801 1
84 . 1 1 12 12 HIS HB3 H 1 3.089 0.003 . 1 . . . . . . . . 5801 1
85 . 1 1 12 12 HIS N N 15 120.552 0.004 . 1 . . . . . . . . 5801 1
86 . 1 1 13 13 ASP H H 1 8.019 0.000 . 1 . . . . . . . . 5801 1
87 . 1 1 13 13 ASP HA H 1 4.542 0.000 . 1 . . . . . . . . 5801 1
88 . 1 1 13 13 ASP HB2 H 1 2.748 0.002 . 2 . . . . . . . . 5801 1
89 . 1 1 13 13 ASP HB3 H 1 2.671 0.006 . 2 . . . . . . . . 5801 1
90 . 1 1 13 13 ASP N N 15 122.639 0.013 . 1 . . . . . . . . 5801 1
91 . 1 1 14 14 GLY H H 1 8.561 0.000 . 1 . . . . . . . . 5801 1
92 . 1 1 14 14 GLY HA2 H 1 3.901 0.000 . 1 . . . . . . . . 5801 1
93 . 1 1 14 14 GLY HA3 H 1 3.901 0.000 . 1 . . . . . . . . 5801 1
94 . 1 1 14 14 GLY N N 15 111.497 0.018 . 1 . . . . . . . . 5801 1
95 . 1 1 15 15 TYR H H 1 7.814 0.000 . 1 . . . . . . . . 5801 1
96 . 1 1 15 15 TYR HA H 1 4.061 0.004 . 1 . . . . . . . . 5801 1
97 . 1 1 15 15 TYR HB2 H 1 3.059 0.001 . 2 . . . . . . . . 5801 1
98 . 1 1 15 15 TYR HB3 H 1 2.905 0.002 . 2 . . . . . . . . 5801 1
99 . 1 1 15 15 TYR HD1 H 1 7.036 0.004 . 1 . . . . . . . . 5801 1
100 . 1 1 15 15 TYR HD2 H 1 7.036 0.004 . 1 . . . . . . . . 5801 1
101 . 1 1 15 15 TYR HE1 H 1 6.753 0.000 . 1 . . . . . . . . 5801 1
102 . 1 1 15 15 TYR HE2 H 1 6.753 0.000 . 1 . . . . . . . . 5801 1
103 . 1 1 15 15 TYR N N 15 121.207 0.009 . 1 . . . . . . . . 5801 1
104 . 1 1 16 16 CYS H H 1 8.652 0.000 . 1 . . . . . . . . 5801 1
105 . 1 1 16 16 CYS HA H 1 4.370 0.003 . 1 . . . . . . . . 5801 1
106 . 1 1 16 16 CYS HB2 H 1 2.669 0.004 . 2 . . . . . . . . 5801 1
107 . 1 1 16 16 CYS HB3 H 1 2.394 0.003 . 2 . . . . . . . . 5801 1
108 . 1 1 16 16 CYS N N 15 115.013 0.006 . 1 . . . . . . . . 5801 1
109 . 1 1 17 17 LEU H H 1 8.075 0.000 . 1 . . . . . . . . 5801 1
110 . 1 1 17 17 LEU HA H 1 4.069 0.000 . 1 . . . . . . . . 5801 1
111 . 1 1 17 17 LEU HB2 H 1 1.562 0.002 . 2 . . . . . . . . 5801 1
112 . 1 1 17 17 LEU HB3 H 1 1.490 0.002 . 2 . . . . . . . . 5801 1
113 . 1 1 17 17 LEU HD11 H 1 0.737 0.002 . 2 . . . . . . . . 5801 1
114 . 1 1 17 17 LEU HD12 H 1 0.737 0.002 . 2 . . . . . . . . 5801 1
115 . 1 1 17 17 LEU HD13 H 1 0.737 0.002 . 2 . . . . . . . . 5801 1
116 . 1 1 17 17 LEU HD21 H 1 0.657 0.005 . 2 . . . . . . . . 5801 1
117 . 1 1 17 17 LEU HD22 H 1 0.657 0.005 . 2 . . . . . . . . 5801 1
118 . 1 1 17 17 LEU HD23 H 1 0.657 0.005 . 2 . . . . . . . . 5801 1
119 . 1 1 17 17 LEU N N 15 123.756 0.017 . 1 . . . . . . . . 5801 1
120 . 1 1 18 18 HIS H H 1 8.670 0.000 . 1 . . . . . . . . 5801 1
121 . 1 1 18 18 HIS HA H 1 3.904 0.002 . 1 . . . . . . . . 5801 1
122 . 1 1 18 18 HIS HB2 H 1 2.386 0.002 . 2 . . . . . . . . 5801 1
123 . 1 1 18 18 HIS HB3 H 1 2.245 0.001 . 2 . . . . . . . . 5801 1
124 . 1 1 18 18 HIS N N 15 114.140 0.009 . 1 . . . . . . . . 5801 1
125 . 1 1 19 19 ASP H H 1 8.862 0.000 . 1 . . . . . . . . 5801 1
126 . 1 1 19 19 ASP HA H 1 4.253 0.002 . 1 . . . . . . . . 5801 1
127 . 1 1 19 19 ASP HB2 H 1 2.960 0.002 . 1 . . . . . . . . 5801 1
128 . 1 1 19 19 ASP HB3 H 1 2.960 0.002 . 1 . . . . . . . . 5801 1
129 . 1 1 19 19 ASP N N 15 113.571 0.001 . 1 . . . . . . . . 5801 1
130 . 1 1 20 20 GLY H H 1 7.285 0.000 . 1 . . . . . . . . 5801 1
131 . 1 1 20 20 GLY HA2 H 1 4.338 0.005 . 2 . . . . . . . . 5801 1
132 . 1 1 20 20 GLY HA3 H 1 3.432 0.002 . 2 . . . . . . . . 5801 1
133 . 1 1 20 20 GLY N N 15 124.896 0.000 . 1 . . . . . . . . 5801 1
134 . 1 1 21 21 VAL H H 1 8.132 0.000 . 1 . . . . . . . . 5801 1
135 . 1 1 21 21 VAL HA H 1 4.336 0.001 . 1 . . . . . . . . 5801 1
136 . 1 1 21 21 VAL HB H 1 2.059 0.004 . 1 . . . . . . . . 5801 1
137 . 1 1 21 21 VAL HG11 H 1 1.060 0.003 . 2 . . . . . . . . 5801 1
138 . 1 1 21 21 VAL HG12 H 1 1.060 0.003 . 2 . . . . . . . . 5801 1
139 . 1 1 21 21 VAL HG13 H 1 1.060 0.003 . 2 . . . . . . . . 5801 1
140 . 1 1 21 21 VAL HG21 H 1 1.030 0.001 . 2 . . . . . . . . 5801 1
141 . 1 1 21 21 VAL HG22 H 1 1.030 0.001 . 2 . . . . . . . . 5801 1
142 . 1 1 21 21 VAL HG23 H 1 1.030 0.001 . 2 . . . . . . . . 5801 1
143 . 1 1 21 21 VAL N N 15 120.079 0.003 . 1 . . . . . . . . 5801 1
144 . 1 1 22 22 CYS H H 1 8.992 0.000 . 1 . . . . . . . . 5801 1
145 . 1 1 22 22 CYS HA H 1 5.116 0.002 . 1 . . . . . . . . 5801 1
146 . 1 1 22 22 CYS HB2 H 1 3.332 0.001 . 2 . . . . . . . . 5801 1
147 . 1 1 22 22 CYS HB3 H 1 3.298 0.002 . 2 . . . . . . . . 5801 1
148 . 1 1 22 22 CYS N N 15 129.150 0.006 . 1 . . . . . . . . 5801 1
149 . 1 1 23 23 MET H H 1 9.400 0.000 . 1 . . . . . . . . 5801 1
150 . 1 1 23 23 MET HA H 1 4.962 0.000 . 1 . . . . . . . . 5801 1
151 . 1 1 23 23 MET HB2 H 1 1.981 0.001 . 1 . . . . . . . . 5801 1
152 . 1 1 23 23 MET HB3 H 1 1.981 0.001 . 1 . . . . . . . . 5801 1
153 . 1 1 23 23 MET HG2 H 1 2.395 0.003 . 1 . . . . . . . . 5801 1
154 . 1 1 23 23 MET HG3 H 1 2.395 0.003 . 1 . . . . . . . . 5801 1
155 . 1 1 23 23 MET N N 15 127.796 0.014 . 1 . . . . . . . . 5801 1
156 . 1 1 24 24 TYR H H 1 8.795 0.000 . 1 . . . . . . . . 5801 1
157 . 1 1 24 24 TYR HA H 1 4.655 0.001 . 1 . . . . . . . . 5801 1
158 . 1 1 24 24 TYR HB2 H 1 2.665 0.003 . 1 . . . . . . . . 5801 1
159 . 1 1 24 24 TYR HB3 H 1 2.665 0.003 . 1 . . . . . . . . 5801 1
160 . 1 1 24 24 TYR HD1 H 1 6.208 0.001 . 1 . . . . . . . . 5801 1
161 . 1 1 24 24 TYR HD2 H 1 6.208 0.001 . 1 . . . . . . . . 5801 1
162 . 1 1 24 24 TYR HE1 H 1 6.411 0.002 . 1 . . . . . . . . 5801 1
163 . 1 1 24 24 TYR HE2 H 1 6.411 0.002 . 1 . . . . . . . . 5801 1
164 . 1 1 24 24 TYR N N 15 123.134 0.007 . 1 . . . . . . . . 5801 1
165 . 1 1 25 25 ILE H H 1 8.493 0.000 . 1 . . . . . . . . 5801 1
166 . 1 1 25 25 ILE HA H 1 4.050 0.002 . 1 . . . . . . . . 5801 1
167 . 1 1 25 25 ILE HB H 1 1.756 0.002 . 1 . . . . . . . . 5801 1
168 . 1 1 25 25 ILE HG12 H 1 1.383 0.003 . 2 . . . . . . . . 5801 1
169 . 1 1 25 25 ILE HG13 H 1 1.034 0.002 . 2 . . . . . . . . 5801 1
170 . 1 1 25 25 ILE HG21 H 1 0.827 0.001 . 1 . . . . . . . . 5801 1
171 . 1 1 25 25 ILE HG22 H 1 0.827 0.001 . 1 . . . . . . . . 5801 1
172 . 1 1 25 25 ILE HG23 H 1 0.827 0.001 . 1 . . . . . . . . 5801 1
173 . 1 1 25 25 ILE N N 15 129.316 0.005 . 1 . . . . . . . . 5801 1
174 . 1 1 26 26 GLU H H 1 8.385 0.000 . 1 . . . . . . . . 5801 1
175 . 1 1 26 26 GLU HA H 1 3.376 0.002 . 1 . . . . . . . . 5801 1
176 . 1 1 26 26 GLU HB2 H 1 2.012 0.001 . 2 . . . . . . . . 5801 1
177 . 1 1 26 26 GLU HB3 H 1 1.971 0.002 . 2 . . . . . . . . 5801 1
178 . 1 1 26 26 GLU HG2 H 1 2.370 0.003 . 2 . . . . . . . . 5801 1
179 . 1 1 26 26 GLU HG3 H 1 2.259 0.003 . 2 . . . . . . . . 5801 1
180 . 1 1 26 26 GLU N N 15 129.565 0.017 . 1 . . . . . . . . 5801 1
181 . 1 1 27 27 ALA H H 1 8.818 0.000 . 1 . . . . . . . . 5801 1
182 . 1 1 27 27 ALA HA H 1 4.065 0.003 . 1 . . . . . . . . 5801 1
183 . 1 1 27 27 ALA HB1 H 1 1.361 0.002 . 1 . . . . . . . . 5801 1
184 . 1 1 27 27 ALA HB2 H 1 1.361 0.002 . 1 . . . . . . . . 5801 1
185 . 1 1 27 27 ALA HB3 H 1 1.361 0.002 . 1 . . . . . . . . 5801 1
186 . 1 1 27 27 ALA N N 15 119.034 0.001 . 1 . . . . . . . . 5801 1
187 . 1 1 28 28 LEU H H 1 6.522 0.000 . 1 . . . . . . . . 5801 1
188 . 1 1 28 28 LEU HA H 1 4.456 0.000 . 1 . . . . . . . . 5801 1
189 . 1 1 28 28 LEU HB2 H 1 1.597 0.003 . 2 . . . . . . . . 5801 1
190 . 1 1 28 28 LEU HB3 H 1 1.257 0.002 . 2 . . . . . . . . 5801 1
191 . 1 1 28 28 LEU HG H 1 1.478 0.004 . 1 . . . . . . . . 5801 1
192 . 1 1 28 28 LEU HD11 H 1 0.877 0.003 . 2 . . . . . . . . 5801 1
193 . 1 1 28 28 LEU HD12 H 1 0.877 0.003 . 2 . . . . . . . . 5801 1
194 . 1 1 28 28 LEU HD13 H 1 0.877 0.003 . 2 . . . . . . . . 5801 1
195 . 1 1 28 28 LEU HD21 H 1 0.816 0.003 . 2 . . . . . . . . 5801 1
196 . 1 1 28 28 LEU HD22 H 1 0.816 0.003 . 2 . . . . . . . . 5801 1
197 . 1 1 28 28 LEU HD23 H 1 0.816 0.003 . 2 . . . . . . . . 5801 1
198 . 1 1 28 28 LEU N N 15 112.296 0.016 . 1 . . . . . . . . 5801 1
199 . 1 1 29 29 ASP H H 1 7.840 0.000 . 1 . . . . . . . . 5801 1
200 . 1 1 29 29 ASP HA H 1 4.013 0.002 . 1 . . . . . . . . 5801 1
201 . 1 1 29 29 ASP HB2 H 1 3.175 0.002 . 2 . . . . . . . . 5801 1
202 . 1 1 29 29 ASP HB3 H 1 2.433 0.001 . 2 . . . . . . . . 5801 1
203 . 1 1 29 29 ASP N N 15 120.321 0.005 . 1 . . . . . . . . 5801 1
204 . 1 1 30 30 LYS H H 1 6.832 0.000 . 1 . . . . . . . . 5801 1
205 . 1 1 30 30 LYS HA H 1 4.727 0.001 . 1 . . . . . . . . 5801 1
206 . 1 1 30 30 LYS HB2 H 1 1.706 0.002 . 1 . . . . . . . . 5801 1
207 . 1 1 30 30 LYS HB3 H 1 1.706 0.002 . 1 . . . . . . . . 5801 1
208 . 1 1 30 30 LYS HG2 H 1 1.309 0.002 . 1 . . . . . . . . 5801 1
209 . 1 1 30 30 LYS HG3 H 1 1.309 0.002 . 1 . . . . . . . . 5801 1
210 . 1 1 30 30 LYS HD2 H 1 1.590 0.002 . 1 . . . . . . . . 5801 1
211 . 1 1 30 30 LYS HD3 H 1 1.590 0.002 . 1 . . . . . . . . 5801 1
212 . 1 1 30 30 LYS HE2 H 1 3.039 0.001 . 2 . . . . . . . . 5801 1
213 . 1 1 30 30 LYS HE3 H 1 2.999 0.004 . 2 . . . . . . . . 5801 1
214 . 1 1 30 30 LYS N N 15 114.698 0.005 . 1 . . . . . . . . 5801 1
215 . 1 1 31 31 TYR H H 1 8.578 0.000 . 1 . . . . . . . . 5801 1
216 . 1 1 31 31 TYR HA H 1 4.884 0.800 . 1 . . . . . . . . 5801 1
217 . 1 1 31 31 TYR HB2 H 1 2.742 0.003 . 2 . . . . . . . . 5801 1
218 . 1 1 31 31 TYR HB3 H 1 2.619 0.003 . 2 . . . . . . . . 5801 1
219 . 1 1 31 31 TYR HD1 H 1 7.002 0.002 . 1 . . . . . . . . 5801 1
220 . 1 1 31 31 TYR HD2 H 1 7.002 0.002 . 1 . . . . . . . . 5801 1
221 . 1 1 31 31 TYR HE1 H 1 6.432 0.002 . 1 . . . . . . . . 5801 1
222 . 1 1 31 31 TYR HE2 H 1 6.432 0.002 . 1 . . . . . . . . 5801 1
223 . 1 1 31 31 TYR N N 15 121.609 0.013 . 1 . . . . . . . . 5801 1
224 . 1 1 32 32 ALA H H 1 9.357 0.003 . 1 . . . . . . . . 5801 1
225 . 1 1 32 32 ALA HA H 1 4.955 0.002 . 1 . . . . . . . . 5801 1
226 . 1 1 32 32 ALA HB1 H 1 1.424 0.002 . 1 . . . . . . . . 5801 1
227 . 1 1 32 32 ALA HB2 H 1 1.424 0.002 . 1 . . . . . . . . 5801 1
228 . 1 1 32 32 ALA HB3 H 1 1.424 0.002 . 1 . . . . . . . . 5801 1
229 . 1 1 32 32 ALA N N 15 125.707 0.015 . 1 . . . . . . . . 5801 1
230 . 1 1 33 33 CYS H H 1 8.901 0.000 . 1 . . . . . . . . 5801 1
231 . 1 1 33 33 CYS HA H 1 5.360 0.000 . 1 . . . . . . . . 5801 1
232 . 1 1 33 33 CYS HB2 H 1 2.850 0.001 . 2 . . . . . . . . 5801 1
233 . 1 1 33 33 CYS HB3 H 1 2.623 0.003 . 2 . . . . . . . . 5801 1
234 . 1 1 33 33 CYS N N 15 115.583 0.003 . 1 . . . . . . . . 5801 1
235 . 1 1 34 34 ASN H H 1 9.543 0.000 . 1 . . . . . . . . 5801 1
236 . 1 1 34 34 ASN HA H 1 5.088 0.000 . 1 . . . . . . . . 5801 1
237 . 1 1 34 34 ASN HB2 H 1 3.023 0.001 . 2 . . . . . . . . 5801 1
238 . 1 1 34 34 ASN HB3 H 1 2.757 0.002 . 2 . . . . . . . . 5801 1
239 . 1 1 34 34 ASN HD21 H 1 6.845 0.000 . 2 . . . . . . . . 5801 1
240 . 1 1 34 34 ASN HD22 H 1 7.307 0.000 . 2 . . . . . . . . 5801 1
241 . 1 1 34 34 ASN N N 15 124.503 0.013 . 1 . . . . . . . . 5801 1
242 . 1 1 34 34 ASN ND2 N 15 111.164 0.003 . 1 . . . . . . . . 5801 1
243 . 1 1 35 35 CYS H H 1 8.946 0.000 . 1 . . . . . . . . 5801 1
244 . 1 1 35 35 CYS HA H 1 4.795 0.000 . 1 . . . . . . . . 5801 1
245 . 1 1 35 35 CYS HB2 H 1 3.349 0.001 . 2 . . . . . . . . 5801 1
246 . 1 1 35 35 CYS HB3 H 1 2.758 0.002 . 2 . . . . . . . . 5801 1
247 . 1 1 35 35 CYS N N 15 124.808 0.010 . 1 . . . . . . . . 5801 1
248 . 1 1 36 36 VAL H H 1 8.732 0.000 . 1 . . . . . . . . 5801 1
249 . 1 1 36 36 VAL HA H 1 4.156 0.003 . 1 . . . . . . . . 5801 1
250 . 1 1 36 36 VAL HB H 1 2.231 0.001 . 1 . . . . . . . . 5801 1
251 . 1 1 36 36 VAL HG11 H 1 1.181 0.001 . 2 . . . . . . . . 5801 1
252 . 1 1 36 36 VAL HG12 H 1 1.181 0.001 . 2 . . . . . . . . 5801 1
253 . 1 1 36 36 VAL HG13 H 1 1.181 0.001 . 2 . . . . . . . . 5801 1
254 . 1 1 36 36 VAL HG21 H 1 1.124 0.001 . 2 . . . . . . . . 5801 1
255 . 1 1 36 36 VAL HG22 H 1 1.124 0.001 . 2 . . . . . . . . 5801 1
256 . 1 1 36 36 VAL HG23 H 1 1.124 0.001 . 2 . . . . . . . . 5801 1
257 . 1 1 36 36 VAL N N 15 121.763 0.001 . 1 . . . . . . . . 5801 1
258 . 1 1 37 37 VAL H H 1 7.888 0.000 . 1 . . . . . . . . 5801 1
259 . 1 1 37 37 VAL HA H 1 3.608 0.003 . 1 . . . . . . . . 5801 1
260 . 1 1 37 37 VAL HB H 1 1.721 0.004 . 1 . . . . . . . . 5801 1
261 . 1 1 37 37 VAL HG11 H 1 0.824 0.002 . 2 . . . . . . . . 5801 1
262 . 1 1 37 37 VAL HG12 H 1 0.824 0.002 . 2 . . . . . . . . 5801 1
263 . 1 1 37 37 VAL HG13 H 1 0.824 0.002 . 2 . . . . . . . . 5801 1
264 . 1 1 37 37 VAL HG21 H 1 0.614 0.002 . 2 . . . . . . . . 5801 1
265 . 1 1 37 37 VAL HG22 H 1 0.614 0.002 . 2 . . . . . . . . 5801 1
266 . 1 1 37 37 VAL HG23 H 1 0.614 0.002 . 2 . . . . . . . . 5801 1
267 . 1 1 37 37 VAL N N 15 121.924 0.000 . 1 . . . . . . . . 5801 1
268 . 1 1 38 38 GLY H H 1 8.480 0.000 . 1 . . . . . . . . 5801 1
269 . 1 1 38 38 GLY HA2 H 1 4.090 0.004 . 2 . . . . . . . . 5801 1
270 . 1 1 38 38 GLY HA3 H 1 3.165 0.003 . 2 . . . . . . . . 5801 1
271 . 1 1 38 38 GLY N N 15 112.775 0.013 . 1 . . . . . . . . 5801 1
272 . 1 1 39 39 TYR H H 1 8.267 0.000 . 1 . . . . . . . . 5801 1
273 . 1 1 39 39 TYR HA H 1 5.455 0.003 . 1 . . . . . . . . 5801 1
274 . 1 1 39 39 TYR HB2 H 1 2.995 0.029 . 2 . . . . . . . . 5801 1
275 . 1 1 39 39 TYR HB3 H 1 2.886 0.003 . 2 . . . . . . . . 5801 1
276 . 1 1 39 39 TYR HD1 H 1 6.748 0.000 . 1 . . . . . . . . 5801 1
277 . 1 1 39 39 TYR HD2 H 1 6.748 0.000 . 1 . . . . . . . . 5801 1
278 . 1 1 39 39 TYR HE1 H 1 6.285 0.003 . 1 . . . . . . . . 5801 1
279 . 1 1 39 39 TYR HE2 H 1 6.285 0.003 . 1 . . . . . . . . 5801 1
280 . 1 1 39 39 TYR N N 15 121.763 0.001 . 1 . . . . . . . . 5801 1
281 . 1 1 40 40 ILE H H 1 9.312 0.001 . 1 . . . . . . . . 5801 1
282 . 1 1 40 40 ILE HA H 1 4.888 0.000 . 1 . . . . . . . . 5801 1
283 . 1 1 40 40 ILE HB H 1 2.104 0.001 . 1 . . . . . . . . 5801 1
284 . 1 1 40 40 ILE HG12 H 1 0.970 0.000 . 2 . . . . . . . . 5801 1
285 . 1 1 40 40 ILE HG13 H 1 0.924 0.002 . 2 . . . . . . . . 5801 1
286 . 1 1 40 40 ILE HG21 H 1 1.456 0.000 . 1 . . . . . . . . 5801 1
287 . 1 1 40 40 ILE HG22 H 1 1.456 0.000 . 1 . . . . . . . . 5801 1
288 . 1 1 40 40 ILE HG23 H 1 1.456 0.000 . 1 . . . . . . . . 5801 1
289 . 1 1 40 40 ILE N N 15 116.301 0.004 . 1 . . . . . . . . 5801 1
290 . 1 1 41 41 GLY H H 1 8.074 0.000 . 1 . . . . . . . . 5801 1
291 . 1 1 41 41 GLY HA2 H 1 5.008 0.001 . 2 . . . . . . . . 5801 1
292 . 1 1 41 41 GLY HA3 H 1 4.005 0.003 . 2 . . . . . . . . 5801 1
293 . 1 1 41 41 GLY N N 15 127.707 0.000 . 1 . . . . . . . . 5801 1
294 . 1 1 42 42 GLU H H 1 9.490 0.000 . 1 . . . . . . . . 5801 1
295 . 1 1 42 42 GLU HA H 1 4.235 0.000 . 1 . . . . . . . . 5801 1
296 . 1 1 42 42 GLU HB2 H 1 2.248 0.003 . 1 . . . . . . . . 5801 1
297 . 1 1 42 42 GLU HB3 H 1 2.248 0.003 . 1 . . . . . . . . 5801 1
298 . 1 1 42 42 GLU HG2 H 1 2.599 0.002 . 2 . . . . . . . . 5801 1
299 . 1 1 42 42 GLU HG3 H 1 2.451 0.003 . 2 . . . . . . . . 5801 1
300 . 1 1 42 42 GLU N N 15 123.772 0.001 . 1 . . . . . . . . 5801 1
301 . 1 1 43 43 ARG H H 1 8.495 0.000 . 1 . . . . . . . . 5801 1
302 . 1 1 43 43 ARG HA H 1 4.856 0.003 . 1 . . . . . . . . 5801 1
303 . 1 1 43 43 ARG HB2 H 1 2.263 0.000 . 1 . . . . . . . . 5801 1
304 . 1 1 43 43 ARG HB3 H 1 2.263 0.000 . 1 . . . . . . . . 5801 1
305 . 1 1 43 43 ARG HG2 H 1 1.315 0.000 . 2 . . . . . . . . 5801 1
306 . 1 1 43 43 ARG HG3 H 1 0.957 0.002 . 2 . . . . . . . . 5801 1
307 . 1 1 43 43 ARG HD2 H 1 2.882 0.000 . 2 . . . . . . . . 5801 1
308 . 1 1 43 43 ARG HD3 H 1 2.788 0.000 . 2 . . . . . . . . 5801 1
309 . 1 1 43 43 ARG HE H 1 7.164 0.006 . 1 . . . . . . . . 5801 1
310 . 1 1 43 43 ARG N N 15 114.790 0.011 . 1 . . . . . . . . 5801 1
311 . 1 1 44 44 CYS H H 1 7.828 0.000 . 1 . . . . . . . . 5801 1
312 . 1 1 44 44 CYS HA H 1 4.018 0.003 . 1 . . . . . . . . 5801 1
313 . 1 1 44 44 CYS HB2 H 1 3.511 0.002 . 2 . . . . . . . . 5801 1
314 . 1 1 44 44 CYS HB3 H 1 3.167 0.003 . 2 . . . . . . . . 5801 1
315 . 1 1 44 44 CYS N N 15 112.299 0.015 . 1 . . . . . . . . 5801 1
316 . 1 1 45 45 GLN H H 1 9.769 0.002 . 1 . . . . . . . . 5801 1
317 . 1 1 45 45 GLN HA H 1 4.110 0.000 . 1 . . . . . . . . 5801 1
318 . 1 1 45 45 GLN HB2 H 1 1.798 0.002 . 2 . . . . . . . . 5801 1
319 . 1 1 45 45 GLN HB3 H 1 1.459 0.001 . 2 . . . . . . . . 5801 1
320 . 1 1 45 45 GLN HG2 H 1 1.925 0.002 . 1 . . . . . . . . 5801 1
321 . 1 1 45 45 GLN HG3 H 1 1.925 0.002 . 1 . . . . . . . . 5801 1
322 . 1 1 45 45 GLN HE21 H 1 6.989 0.001 . 2 . . . . . . . . 5801 1
323 . 1 1 45 45 GLN HE22 H 1 7.374 0.001 . 2 . . . . . . . . 5801 1
324 . 1 1 45 45 GLN N N 15 117.186 0.000 . 1 . . . . . . . . 5801 1
325 . 1 1 46 46 TYR H H 1 8.778 0.000 . 1 . . . . . . . . 5801 1
326 . 1 1 46 46 TYR HA H 1 5.242 0.002 . 1 . . . . . . . . 5801 1
327 . 1 1 46 46 TYR HB2 H 1 3.185 0.002 . 2 . . . . . . . . 5801 1
328 . 1 1 46 46 TYR HB3 H 1 2.707 0.001 . 2 . . . . . . . . 5801 1
329 . 1 1 46 46 TYR HD1 H 1 7.120 0.000 . 1 . . . . . . . . 5801 1
330 . 1 1 46 46 TYR HD2 H 1 7.120 0.000 . 1 . . . . . . . . 5801 1
331 . 1 1 46 46 TYR HE1 H 1 6.942 0.000 . 1 . . . . . . . . 5801 1
332 . 1 1 46 46 TYR HE2 H 1 6.942 0.000 . 1 . . . . . . . . 5801 1
333 . 1 1 46 46 TYR N N 15 122.244 0.005 . 1 . . . . . . . . 5801 1
334 . 1 1 47 47 ARG H H 1 8.765 0.000 . 1 . . . . . . . . 5801 1
335 . 1 1 47 47 ARG HA H 1 4.302 0.001 . 1 . . . . . . . . 5801 1
336 . 1 1 47 47 ARG HB2 H 1 1.594 0.001 . 2 . . . . . . . . 5801 1
337 . 1 1 47 47 ARG HB3 H 1 1.489 0.003 . 2 . . . . . . . . 5801 1
338 . 1 1 47 47 ARG HG2 H 1 1.173 0.002 . 1 . . . . . . . . 5801 1
339 . 1 1 47 47 ARG HG3 H 1 1.173 0.002 . 1 . . . . . . . . 5801 1
340 . 1 1 47 47 ARG HD2 H 1 2.565 0.001 . 2 . . . . . . . . 5801 1
341 . 1 1 47 47 ARG HD3 H 1 2.543 0.000 . 2 . . . . . . . . 5801 1
342 . 1 1 47 47 ARG N N 15 121.539 0.018 . 1 . . . . . . . . 5801 1
343 . 1 1 48 48 ASP H H 1 8.296 0.000 . 1 . . . . . . . . 5801 1
344 . 1 1 48 48 ASP HA H 1 4.576 0.001 . 1 . . . . . . . . 5801 1
345 . 1 1 48 48 ASP HB2 H 1 2.712 0.002 . 2 . . . . . . . . 5801 1
346 . 1 1 48 48 ASP HB3 H 1 2.229 0.002 . 2 . . . . . . . . 5801 1
347 . 1 1 48 48 ASP N N 15 123.854 0.006 . 1 . . . . . . . . 5801 1
348 . 1 1 49 49 LEU H H 1 8.153 0.000 . 1 . . . . . . . . 5801 1
349 . 1 1 49 49 LEU HA H 1 4.182 0.001 . 1 . . . . . . . . 5801 1
350 . 1 1 49 49 LEU HB2 H 1 1.669 0.003 . 2 . . . . . . . . 5801 1
351 . 1 1 49 49 LEU HB3 H 1 1.568 0.004 . 2 . . . . . . . . 5801 1
352 . 1 1 49 49 LEU HD11 H 1 0.977 0.209 . 2 . . . . . . . . 5801 1
353 . 1 1 49 49 LEU HD12 H 1 0.977 0.209 . 2 . . . . . . . . 5801 1
354 . 1 1 49 49 LEU HD13 H 1 0.977 0.209 . 2 . . . . . . . . 5801 1
355 . 1 1 49 49 LEU HD21 H 1 0.812 0.002 . 2 . . . . . . . . 5801 1
356 . 1 1 49 49 LEU HD22 H 1 0.812 0.002 . 2 . . . . . . . . 5801 1
357 . 1 1 49 49 LEU HD23 H 1 0.812 0.002 . 2 . . . . . . . . 5801 1
358 . 1 1 49 49 LEU N N 15 125.462 0.009 . 1 . . . . . . . . 5801 1
359 . 1 1 50 50 LYS H H 1 8.306 0.000 . 1 . . . . . . . . 5801 1
360 . 1 1 50 50 LYS HA H 1 4.027 0.006 . 1 . . . . . . . . 5801 1
361 . 1 1 50 50 LYS HB2 H 1 1.573 0.005 . 1 . . . . . . . . 5801 1
362 . 1 1 50 50 LYS HB3 H 1 1.573 0.005 . 1 . . . . . . . . 5801 1
363 . 1 1 50 50 LYS HG2 H 1 1.367 0.003 . 2 . . . . . . . . 5801 1
364 . 1 1 50 50 LYS HG3 H 1 1.219 0.003 . 2 . . . . . . . . 5801 1
365 . 1 1 50 50 LYS HD2 H 1 1.478 0.002 . 1 . . . . . . . . 5801 1
366 . 1 1 50 50 LYS HD3 H 1 1.478 0.002 . 1 . . . . . . . . 5801 1
367 . 1 1 50 50 LYS HE2 H 1 2.924 0.000 . 1 . . . . . . . . 5801 1
368 . 1 1 50 50 LYS HE3 H 1 2.924 0.000 . 1 . . . . . . . . 5801 1
369 . 1 1 50 50 LYS N N 15 119.189 0.013 . 1 . . . . . . . . 5801 1
370 . 1 1 51 51 TRP H H 1 7.681 0.000 . 1 . . . . . . . . 5801 1
371 . 1 1 51 51 TRP HA H 1 4.281 0.003 . 1 . . . . . . . . 5801 1
372 . 1 1 51 51 TRP HB2 H 1 3.135 0.003 . 1 . . . . . . . . 5801 1
373 . 1 1 51 51 TRP HB3 H 1 3.135 0.003 . 1 . . . . . . . . 5801 1
374 . 1 1 51 51 TRP HD1 H 1 6.927 0.004 . 1 . . . . . . . . 5801 1
375 . 1 1 51 51 TRP HE1 H 1 10.056 0.000 . 1 . . . . . . . . 5801 1
376 . 1 1 51 51 TRP HZ2 H 1 7.405 0.004 . 1 . . . . . . . . 5801 1
377 . 1 1 51 51 TRP N N 15 119.676 0.001 . 1 . . . . . . . . 5801 1
378 . 1 1 51 51 TRP NE1 N 15 129.471 0.007 . 1 . . . . . . . . 5801 1
379 . 1 1 52 52 TRP H H 1 7.155 0.002 . 1 . . . . . . . . 5801 1
380 . 1 1 52 52 TRP HA H 1 4.330 0.008 . 1 . . . . . . . . 5801 1
381 . 1 1 52 52 TRP HB2 H 1 3.020 0.002 . 2 . . . . . . . . 5801 1
382 . 1 1 52 52 TRP HB3 H 1 2.949 0.006 . 2 . . . . . . . . 5801 1
383 . 1 1 52 52 TRP HD1 H 1 7.232 0.001 . 1 . . . . . . . . 5801 1
384 . 1 1 52 52 TRP HE1 H 1 10.070 0.000 . 1 . . . . . . . . 5801 1
385 . 1 1 52 52 TRP N N 15 118.077 0.009 . 1 . . . . . . . . 5801 1
386 . 1 1 52 52 TRP NE1 N 15 129.733 0.008 . 1 . . . . . . . . 5801 1
387 . 1 1 53 53 GLU H H 1 7.680 0.000 . 1 . . . . . . . . 5801 1
388 . 1 1 53 53 GLU HA H 1 4.265 0.000 . 1 . . . . . . . . 5801 1
389 . 1 1 53 53 GLU HB2 H 1 2.030 0.006 . 2 . . . . . . . . 5801 1
390 . 1 1 53 53 GLU HB3 H 1 1.882 0.002 . 2 . . . . . . . . 5801 1
391 . 1 1 53 53 GLU N N 15 120.802 0.002 . 1 . . . . . . . . 5801 1
392 . 1 1 54 54 LEU H H 1 7.492 0.000 . 1 . . . . . . . . 5801 1
393 . 1 1 54 54 LEU HA H 1 4.136 0.006 . 1 . . . . . . . . 5801 1
394 . 1 1 54 54 LEU HB2 H 1 1.602 0.002 . 1 . . . . . . . . 5801 1
395 . 1 1 54 54 LEU HB3 H 1 1.602 0.002 . 1 . . . . . . . . 5801 1
396 . 1 1 54 54 LEU HD11 H 1 0.880 0.002 . 1 . . . . . . . . 5801 1
397 . 1 1 54 54 LEU HD12 H 1 0.880 0.002 . 1 . . . . . . . . 5801 1
398 . 1 1 54 54 LEU HD13 H 1 0.880 0.002 . 1 . . . . . . . . 5801 1
399 . 1 1 54 54 LEU HD21 H 1 0.880 0.002 . 1 . . . . . . . . 5801 1
400 . 1 1 54 54 LEU HD22 H 1 0.880 0.002 . 1 . . . . . . . . 5801 1
401 . 1 1 54 54 LEU HD23 H 1 0.880 0.002 . 1 . . . . . . . . 5801 1
402 . 1 1 54 54 LEU N N 15 127.709 0.003 . 1 . . . . . . . . 5801 1
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