Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16915
_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 .
_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-1H TOCSY' . . . 16915 1
2 '2D 1H-1H NOESY' . . . 16915 1
3 '2D 1H-1H NOESY' . . . 16915 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 $SPARKY . . 16915 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 GLY HA2 H 1 3.943 0.002 . 2 . . . . 1 GLY HA . 16915 1
2 . 1 1 1 1 GLY HA3 H 1 3.943 0.002 . 2 . . . . 1 GLY HA . 16915 1
3 . 1 1 2 2 ILE H H 1 8.399 0.002 . 1 . . . . 2 ILE H . 16915 1
4 . 1 1 2 2 ILE HB H 1 1.326 0.001 . 1 . . . . 2 ILE HB . 16915 1
5 . 1 1 2 2 ILE HD11 H 1 0.674 0.002 . 1 . . . . 2 ILE QD1 . 16915 1
6 . 1 1 2 2 ILE HD12 H 1 0.674 0.002 . 1 . . . . 2 ILE QD1 . 16915 1
7 . 1 1 2 2 ILE HD13 H 1 0.674 0.002 . 1 . . . . 2 ILE QD1 . 16915 1
8 . 1 1 2 2 ILE HG12 H 1 1.193 0.002 . 2 . . . . 2 ILE HG12 . 16915 1
9 . 1 1 2 2 ILE HG21 H 1 0.760 0.002 . 1 . . . . 2 ILE QG2 . 16915 1
10 . 1 1 2 2 ILE HG22 H 1 0.760 0.002 . 1 . . . . 2 ILE QG2 . 16915 1
11 . 1 1 2 2 ILE HG23 H 1 0.760 0.002 . 1 . . . . 2 ILE QG2 . 16915 1
12 . 1 1 3 3 VAL H H 1 7.935 0.001 . 1 . . . . 3 VAL H . 16915 1
13 . 1 1 3 3 VAL HA H 1 3.665 0.002 . 1 . . . . 3 VAL HA . 16915 1
14 . 1 1 3 3 VAL HB H 1 1.968 0.002 . 1 . . . . 3 VAL HB . 16915 1
15 . 1 1 3 3 VAL HG11 H 1 0.934 0.003 . 1 . . . . 3 VAL QG1 . 16915 1
16 . 1 1 3 3 VAL HG12 H 1 0.934 0.003 . 1 . . . . 3 VAL QG1 . 16915 1
17 . 1 1 3 3 VAL HG13 H 1 0.934 0.003 . 1 . . . . 3 VAL QG1 . 16915 1
18 . 1 1 3 3 VAL HG21 H 1 0.884 0.002 . 1 . . . . 3 VAL QG2 . 16915 1
19 . 1 1 3 3 VAL HG22 H 1 0.884 0.002 . 1 . . . . 3 VAL QG2 . 16915 1
20 . 1 1 3 3 VAL HG23 H 1 0.884 0.002 . 1 . . . . 3 VAL QG2 . 16915 1
21 . 1 1 4 4 GLU H H 1 8.021 0.002 . 1 . . . . 4 GLU H . 16915 1
22 . 1 1 4 4 GLU HA H 1 4.210 0.003 . 1 . . . . 4 GLU HA . 16915 1
23 . 1 1 4 4 GLU HB2 H 1 2.077 0.001 . 2 . . . . 4 GLU HB2 . 16915 1
24 . 1 1 4 4 GLU HB3 H 1 2.061 0.001 . 2 . . . . 4 GLU HB3 . 16915 1
25 . 1 1 4 4 GLU HG2 H 1 2.468 0.003 . 2 . . . . 4 GLU HG2 . 16915 1
26 . 1 1 5 5 GLN H H 1 8.226 0.002 . 1 . . . . 5 GLN H . 16915 1
27 . 1 1 5 5 GLN HA H 1 4.017 0.001 . 1 . . . . 5 GLN HA . 16915 1
28 . 1 1 5 5 GLN HB2 H 1 2.079 0.000 . 2 . . . . 5 GLN HB2 . 16915 1
29 . 1 1 5 5 GLN HB3 H 1 2.405 0.734 . 2 . . . . 5 GLN HB3 . 16915 1
30 . 1 1 5 5 GLN HE21 H 1 7.461 0.001 . 2 . . . . 5 GLN HE21 . 16915 1
31 . 1 1 5 5 GLN HE22 H 1 6.764 0.004 . 2 . . . . 5 GLN HE22 . 16915 1
32 . 1 1 5 5 GLN HG2 H 1 2.425 0.001 . 2 . . . . 5 GLN HG2 . 16915 1
33 . 1 1 5 5 GLN HG3 H 1 2.354 0.001 . 2 . . . . 5 GLN HG3 . 16915 1
34 . 1 1 6 6 CYS H H 1 8.156 0.002 . 1 . . . . 6 CYS H . 16915 1
35 . 1 1 6 6 CYS HA H 1 4.830 0.001 . 1 . . . . 6 CYS HA . 16915 1
36 . 1 1 6 6 CYS HB2 H 1 3.271 0.001 . 2 . . . . 6 CYS HB2 . 16915 1
37 . 1 1 6 6 CYS HB3 H 1 2.861 0.001 . 2 . . . . 6 CYS HB3 . 16915 1
38 . 1 1 7 7 CYS H H 1 8.251 0.002 . 1 . . . . 7 CYS H . 16915 1
39 . 1 1 7 7 CYS HA H 1 4.783 0.001 . 1 . . . . 7 CYS HA . 16915 1
40 . 1 1 7 7 CYS HB2 H 1 3.685 0.002 . 2 . . . . 7 CYS HB2 . 16915 1
41 . 1 1 7 7 CYS HB3 H 1 3.282 0.001 . 2 . . . . 7 CYS HB3 . 16915 1
42 . 1 1 8 8 THR H H 1 8.032 0.001 . 1 . . . . 8 THR H . 16915 1
43 . 1 1 8 8 THR HA H 1 4.055 0.003 . 1 . . . . 8 THR HA . 16915 1
44 . 1 1 8 8 THR HB H 1 4.361 0.003 . 1 . . . . 8 THR HB . 16915 1
45 . 1 1 8 8 THR HG21 H 1 1.213 0.001 . 1 . . . . 8 THR QG2 . 16915 1
46 . 1 1 8 8 THR HG22 H 1 1.213 0.001 . 1 . . . . 8 THR QG2 . 16915 1
47 . 1 1 8 8 THR HG23 H 1 1.213 0.001 . 1 . . . . 8 THR QG2 . 16915 1
48 . 1 1 9 9 SER H H 1 7.430 0.001 . 1 . . . . 9 SER H . 16915 1
49 . 1 1 9 9 SER HA H 1 4.690 0.002 . 1 . . . . 9 SER HA . 16915 1
50 . 1 1 9 9 SER HB2 H 1 3.991 0.002 . 2 . . . . 9 SER HB2 . 16915 1
51 . 1 1 9 9 SER HB3 H 1 3.840 0.002 . 2 . . . . 9 SER HB3 . 16915 1
52 . 1 1 10 10 ILE H H 1 7.775 0.002 . 1 . . . . 10 ILE H . 16915 1
53 . 1 1 10 10 ILE HA H 1 4.398 0.002 . 1 . . . . 10 ILE HA . 16915 1
54 . 1 1 10 10 ILE HB H 1 1.567 0.002 . 1 . . . . 10 ILE HB . 16915 1
55 . 1 1 10 10 ILE HD11 H 1 0.582 0.001 . 1 . . . . 10 ILE QD1 . 16915 1
56 . 1 1 10 10 ILE HD12 H 1 0.582 0.001 . 1 . . . . 10 ILE QD1 . 16915 1
57 . 1 1 10 10 ILE HD13 H 1 0.582 0.001 . 1 . . . . 10 ILE QD1 . 16915 1
58 . 1 1 10 10 ILE HG12 H 1 1.167 0.000 . 2 . . . . 10 ILE HG12 . 16915 1
59 . 1 1 10 10 ILE HG21 H 1 0.666 0.001 . 1 . . . . 10 ILE QG2 . 16915 1
60 . 1 1 10 10 ILE HG22 H 1 0.666 0.001 . 1 . . . . 10 ILE QG2 . 16915 1
61 . 1 1 10 10 ILE HG23 H 1 0.666 0.001 . 1 . . . . 10 ILE QG2 . 16915 1
62 . 1 1 11 11 CYS H H 1 9.379 0.001 . 1 . . . . 11 CYS H . 16915 1
63 . 1 1 11 11 CYS HA H 1 5.010 0.003 . 1 . . . . 11 CYS HA . 16915 1
64 . 1 1 11 11 CYS HB2 H 1 3.253 0.001 . 2 . . . . 11 CYS HB2 . 16915 1
65 . 1 1 11 11 CYS HB3 H 1 3.089 0.001 . 2 . . . . 11 CYS HB3 . 16915 1
66 . 1 1 12 12 SER H H 1 8.567 0.001 . 1 . . . . 12 SER H . 16915 1
67 . 1 1 12 12 SER HA H 1 4.575 0.001 . 1 . . . . 12 SER HA . 16915 1
68 . 1 1 12 12 SER HB2 H 1 4.280 0.001 . 2 . . . . 12 SER HB2 . 16915 1
69 . 1 1 12 12 SER HB3 H 1 3.950 0.001 . 2 . . . . 12 SER HB3 . 16915 1
70 . 1 1 13 13 LEU H H 1 8.622 0.001 . 1 . . . . 13 LEU H . 16915 1
71 . 1 1 13 13 LEU HA H 1 3.960 0.001 . 1 . . . . 13 LEU HA . 16915 1
72 . 1 1 13 13 LEU HB2 H 1 1.531 0.002 . 2 . . . . 13 LEU HB2 . 16915 1
73 . 1 1 13 13 LEU HB3 H 1 1.456 0.002 . 2 . . . . 13 LEU HB3 . 16915 1
74 . 1 1 13 13 LEU HD11 H 1 0.887 0.001 . 1 . . . . 13 LEU QD1 . 16915 1
75 . 1 1 13 13 LEU HD12 H 1 0.887 0.001 . 1 . . . . 13 LEU QD1 . 16915 1
76 . 1 1 13 13 LEU HD13 H 1 0.887 0.001 . 1 . . . . 13 LEU QD1 . 16915 1
77 . 1 1 13 13 LEU HD21 H 1 0.812 0.001 . 1 . . . . 13 LEU QD2 . 16915 1
78 . 1 1 13 13 LEU HD22 H 1 0.812 0.001 . 1 . . . . 13 LEU QD2 . 16915 1
79 . 1 1 13 13 LEU HD23 H 1 0.812 0.001 . 1 . . . . 13 LEU QD2 . 16915 1
80 . 1 1 14 14 TYR H H 1 7.499 0.001 . 1 . . . . 14 TYR H . 16915 1
81 . 1 1 14 14 TYR HA H 1 4.135 0.002 . 1 . . . . 14 TYR HA . 16915 1
82 . 1 1 14 14 TYR HB2 H 1 2.960 0.001 . 2 . . . . 14 TYR HB2 . 16915 1
83 . 1 1 14 14 TYR HD1 H 1 7.064 0.002 . 3 . . . . 14 TYR QD . 16915 1
84 . 1 1 14 14 TYR HD2 H 1 7.064 0.002 . 3 . . . . 14 TYR QD . 16915 1
85 . 1 1 14 14 TYR HE1 H 1 6.829 0.002 . 3 . . . . 14 TYR QE . 16915 1
86 . 1 1 14 14 TYR HE2 H 1 6.829 0.002 . 3 . . . . 14 TYR QE . 16915 1
87 . 1 1 15 15 GLN H H 1 7.542 0.002 . 1 . . . . 15 GLN H . 16915 1
88 . 1 1 15 15 GLN HA H 1 3.956 0.002 . 1 . . . . 15 GLN HA . 16915 1
89 . 1 1 15 15 GLN HB2 H 1 2.352 0.003 . 2 . . . . 15 GLN HB2 . 16915 1
90 . 1 1 15 15 GLN HB3 H 1 1.994 0.003 . 2 . . . . 15 GLN HB3 . 16915 1
91 . 1 1 15 15 GLN HE21 H 1 7.392 0.001 . 2 . . . . 15 GLN HE21 . 16915 1
92 . 1 1 15 15 GLN HE22 H 1 6.866 0.001 . 2 . . . . 15 GLN HE22 . 16915 1
93 . 1 1 15 15 GLN HG2 H 1 2.415 0.006 . 2 . . . . 15 GLN HG2 . 16915 1
94 . 1 1 15 15 GLN HG3 H 1 2.357 0.001 . 2 . . . . 15 GLN HG3 . 16915 1
95 . 1 1 16 16 LEU H H 1 8.000 0.002 . 1 . . . . 16 LEU H . 16915 1
96 . 1 1 16 16 LEU HA H 1 4.120 0.002 . 1 . . . . 16 LEU HA . 16915 1
97 . 1 1 16 16 LEU HB2 H 1 1.876 0.002 . 2 . . . . 16 LEU HB2 . 16915 1
98 . 1 1 16 16 LEU HB3 H 1 1.609 0.003 . 2 . . . . 16 LEU HB3 . 16915 1
99 . 1 1 16 16 LEU HD11 H 1 0.821 0.003 . 1 . . . . 16 LEU QD1 . 16915 1
100 . 1 1 16 16 LEU HD12 H 1 0.821 0.003 . 1 . . . . 16 LEU QD1 . 16915 1
101 . 1 1 16 16 LEU HD13 H 1 0.821 0.003 . 1 . . . . 16 LEU QD1 . 16915 1
102 . 1 1 16 16 LEU HD21 H 1 0.780 0.002 . 1 . . . . 16 LEU QD2 . 16915 1
103 . 1 1 16 16 LEU HD22 H 1 0.780 0.002 . 1 . . . . 16 LEU QD2 . 16915 1
104 . 1 1 16 16 LEU HD23 H 1 0.780 0.002 . 1 . . . . 16 LEU QD2 . 16915 1
105 . 1 1 16 16 LEU HG H 1 1.718 0.001 . 1 . . . . 16 LEU HG . 16915 1
106 . 1 1 17 17 GLU H H 1 8.091 0.002 . 1 . . . . 17 GLU H . 16915 1
107 . 1 1 17 17 GLU HA H 1 4.087 0.002 . 1 . . . . 17 GLU HA . 16915 1
108 . 1 1 17 17 GLU HB2 H 1 2.074 0.001 . 2 . . . . 17 GLU HB2 . 16915 1
109 . 1 1 17 17 GLU HB3 H 1 1.986 0.000 . 2 . . . . 17 GLU HB3 . 16915 1
110 . 1 1 17 17 GLU HG2 H 1 2.535 0.004 . 2 . . . . 17 GLU HG2 . 16915 1
111 . 1 1 17 17 GLU HG3 H 1 2.328 0.003 . 2 . . . . 17 GLU HG3 . 16915 1
112 . 1 1 18 18 ASN H H 1 7.495 0.002 . 1 . . . . 18 ASN H . 16915 1
113 . 1 1 18 18 ASN HA H 1 4.406 0.002 . 1 . . . . 18 ASN HA . 16915 1
114 . 1 1 18 18 ASN HB2 H 1 2.577 0.018 . 2 . . . . 18 ASN HB2 . 16915 1
115 . 1 1 18 18 ASN HB3 H 1 2.509 0.003 . 2 . . . . 18 ASN HB3 . 16915 1
116 . 1 1 18 18 ASN HD21 H 1 7.141 0.001 . 2 . . . . 18 ASN HD21 . 16915 1
117 . 1 1 18 18 ASN HD22 H 1 6.360 0.001 . 2 . . . . 18 ASN HD22 . 16915 1
118 . 1 1 19 19 TYR H H 1 7.873 0.001 . 1 . . . . 19 TYR H . 16915 1
119 . 1 1 19 19 TYR HA H 1 4.394 0.003 . 1 . . . . 19 TYR HA . 16915 1
120 . 1 1 19 19 TYR HB2 H 1 3.274 0.002 . 2 . . . . 19 TYR HB2 . 16915 1
121 . 1 1 19 19 TYR HB3 H 1 2.985 0.003 . 2 . . . . 19 TYR HB3 . 16915 1
122 . 1 1 19 19 TYR HD1 H 1 7.261 0.001 . 3 . . . . 19 TYR QD . 16915 1
123 . 1 1 19 19 TYR HD2 H 1 7.261 0.001 . 3 . . . . 19 TYR QD . 16915 1
124 . 1 1 19 19 TYR HE1 H 1 6.740 0.001 . 3 . . . . 19 TYR QE . 16915 1
125 . 1 1 19 19 TYR HE2 H 1 6.740 0.001 . 3 . . . . 19 TYR QE . 16915 1
126 . 1 1 20 20 CYS H H 1 7.553 0.002 . 1 . . . . 20 CYS H . 16915 1
127 . 1 1 20 20 CYS HA H 1 4.573 0.001 . 1 . . . . 20 CYS HA . 16915 1
128 . 1 1 20 20 CYS HB2 H 1 3.168 0.001 . 2 . . . . 20 CYS HB2 . 16915 1
129 . 1 1 20 20 CYS HB3 H 1 2.832 0.005 . 2 . . . . 20 CYS HB3 . 16915 1
130 . 1 1 21 21 ASN H H 1 7.985 0.001 . 1 . . . . 21 ASN H . 16915 1
131 . 1 1 21 21 ASN HA H 1 4.734 0.001 . 1 . . . . 21 ASN HA . 16915 1
132 . 1 1 21 21 ASN HB2 H 1 2.807 0.003 . 2 . . . . 21 ASN HB2 . 16915 1
133 . 1 1 21 21 ASN HB3 H 1 2.678 0.008 . 2 . . . . 21 ASN HB3 . 16915 1
134 . 1 1 21 21 ASN HD21 H 1 7.431 0.001 . 2 . . . . 21 ASN HD21 . 16915 1
135 . 1 1 21 21 ASN HD22 H 1 6.698 0.001 . 2 . . . . 21 ASN HD22 . 16915 1
136 . 1 1 22 22 GLY H H 1 7.891 0.003 . 1 . . . . 22 GLY H . 16915 1
137 . 1 1 22 22 GLY HA2 H 1 3.951 0.001 . 2 . . . . 22 GLY HA . 16915 1
138 . 1 1 22 22 GLY HA3 H 1 3.951 0.001 . 2 . . . . 22 GLY HA . 16915 1
139 . 2 2 1 1 PHE HA H 1 4.271 0.001 . 1 . . . . 1 PHE HA . 16915 1
140 . 2 2 1 1 PHE HB2 H 1 3.189 0.000 . 2 . . . . 1 PHE HB2 . 16915 1
141 . 2 2 1 1 PHE HB3 H 1 3.135 0.003 . 2 . . . . 1 PHE HB3 . 16915 1
142 . 2 2 1 1 PHE HD1 H 1 7.266 0.002 . 3 . . . . 1 PHE QD . 16915 1
143 . 2 2 1 1 PHE HD2 H 1 7.266 0.002 . 3 . . . . 1 PHE QD . 16915 1
144 . 2 2 1 1 PHE HE1 H 1 7.383 0.002 . 3 . . . . 1 PHE QE . 16915 1
145 . 2 2 1 1 PHE HE2 H 1 7.383 0.002 . 3 . . . . 1 PHE QE . 16915 1
146 . 2 2 2 2 VAL H H 1 8.108 0.005 . 1 . . . . 2 VAL H . 16915 1
147 . 2 2 2 2 VAL HA H 1 4.099 0.001 . 1 . . . . 2 VAL HA . 16915 1
148 . 2 2 2 2 VAL HB H 1 1.960 0.001 . 1 . . . . 2 VAL HB . 16915 1
149 . 2 2 2 2 VAL HG11 H 1 0.878 0.003 . 1 . . . . 2 VAL QQG . 16915 1
150 . 2 2 2 2 VAL HG12 H 1 0.878 0.003 . 1 . . . . 2 VAL QQG . 16915 1
151 . 2 2 2 2 VAL HG13 H 1 0.878 0.003 . 1 . . . . 2 VAL QQG . 16915 1
152 . 2 2 2 2 VAL HG21 H 1 0.878 0.003 . 1 . . . . 2 VAL QQG . 16915 1
153 . 2 2 2 2 VAL HG22 H 1 0.878 0.003 . 1 . . . . 2 VAL QQG . 16915 1
154 . 2 2 2 2 VAL HG23 H 1 0.878 0.003 . 1 . . . . 2 VAL QQG . 16915 1
155 . 2 2 3 3 ASN H H 1 8.272 0.002 . 1 . . . . 3 ASN H . 16915 1
156 . 2 2 3 3 ASN HA H 1 4.642 0.002 . 1 . . . . 3 ASN HA . 16915 1
157 . 2 2 3 3 ASN HB2 H 1 2.767 0.002 . 2 . . . . 3 ASN HB2 . 16915 1
158 . 2 2 3 3 ASN HB3 H 1 2.704 0.002 . 2 . . . . 3 ASN HB3 . 16915 1
159 . 2 2 3 3 ASN HD21 H 1 7.473 0.001 . 2 . . . . 3 ASN HD21 . 16915 1
160 . 2 2 3 3 ASN HD22 H 1 6.790 0.001 . 2 . . . . 3 ASN HD22 . 16915 1
161 . 2 2 4 4 GLN H H 1 8.215 0.001 . 1 . . . . 4 GLN H . 16915 1
162 . 2 2 4 4 GLN HA H 1 4.375 0.002 . 1 . . . . 4 GLN HA . 16915 1
163 . 2 2 4 4 GLN HB2 H 1 2.098 0.000 . 2 . . . . 4 GLN HB2 . 16915 1
164 . 2 2 4 4 GLN HB3 H 1 1.806 0.004 . 2 . . . . 4 GLN HB3 . 16915 1
165 . 2 2 4 4 GLN HE21 H 1 7.339 0.001 . 2 . . . . 4 GLN HE21 . 16915 1
166 . 2 2 4 4 GLN HE22 H 1 6.640 0.001 . 2 . . . . 4 GLN HE22 . 16915 1
167 . 2 2 4 4 GLN HG2 H 1 2.227 0.004 . 2 . . . . 4 GLN HG2 . 16915 1
168 . 2 2 4 4 GLN HG3 H 1 2.194 0.002 . 2 . . . . 4 GLN HG3 . 16915 1
169 . 2 2 5 5 HIS H H 1 8.399 0.002 . 1 . . . . 5 HIS H . 16915 1
170 . 2 2 5 5 HIS HA H 1 4.511 0.003 . 1 . . . . 5 HIS HA . 16915 1
171 . 2 2 5 5 HIS HB2 H 1 3.532 0.002 . 2 . . . . 5 HIS HB2 . 16915 1
172 . 2 2 5 5 HIS HB3 H 1 3.239 0.008 . 2 . . . . 5 HIS HB3 . 16915 1
173 . 2 2 5 5 HIS HD2 H 1 7.364 0.004 . 1 . . . . 5 HIS HD2 . 16915 1
174 . 2 2 5 5 HIS HE1 H 1 8.504 0.001 . 1 . . . . 5 HIS HE1 . 16915 1
175 . 2 2 6 6 LEU H H 1 8.777 0.003 . 1 . . . . 6 LEU H . 16915 1
176 . 2 2 6 6 LEU HA H 1 4.451 0.001 . 1 . . . . 6 LEU HA . 16915 1
177 . 2 2 6 6 LEU HB2 H 1 1.687 0.001 . 2 . . . . 6 LEU HB2 . 16915 1
178 . 2 2 6 6 LEU HB3 H 1 0.996 0.001 . 2 . . . . 6 LEU HB3 . 16915 1
179 . 2 2 6 6 LEU HD11 H 1 0.855 0.003 . 1 . . . . 6 LEU QD1 . 16915 1
180 . 2 2 6 6 LEU HD12 H 1 0.855 0.003 . 1 . . . . 6 LEU QD1 . 16915 1
181 . 2 2 6 6 LEU HD13 H 1 0.855 0.003 . 1 . . . . 6 LEU QD1 . 16915 1
182 . 2 2 6 6 LEU HD21 H 1 0.743 0.002 . 1 . . . . 6 LEU QD2 . 16915 1
183 . 2 2 6 6 LEU HD22 H 1 0.743 0.002 . 1 . . . . 6 LEU QD2 . 16915 1
184 . 2 2 6 6 LEU HD23 H 1 0.743 0.002 . 1 . . . . 6 LEU QD2 . 16915 1
185 . 2 2 6 6 LEU HG H 1 1.553 0.003 . 1 . . . . 6 LEU HG . 16915 1
186 . 2 2 7 7 CYS H H 1 8.179 0.002 . 1 . . . . 7 CYS H . 16915 1
187 . 2 2 7 7 CYS HA H 1 4.886 0.002 . 1 . . . . 7 CYS HA . 16915 1
188 . 2 2 7 7 CYS HB2 H 1 3.194 0.001 . 2 . . . . 7 CYS HB2 . 16915 1
189 . 2 2 7 7 CYS HB3 H 1 2.960 0.002 . 2 . . . . 7 CYS HB3 . 16915 1
190 . 2 2 8 8 GLY H H 1 8.857 0.004 . 1 . . . . 8 GLY H . 16915 1
191 . 2 2 8 8 GLY HA2 H 1 3.955 0.002 . 2 . . . . 8 GLY HA2 . 16915 1
192 . 2 2 8 8 GLY HA3 H 1 3.790 0.004 . 2 . . . . 8 GLY HA3 . 16915 1
193 . 2 2 9 9 SER H H 1 8.876 0.000 . 1 . . . . 9 SER H . 16915 1
194 . 2 2 9 9 SER HA H 1 4.038 0.092 . 1 . . . . 9 SER HA . 16915 1
195 . 2 2 9 9 SER HB2 H 1 3.850 0.002 . 2 . . . . 9 SER HB . 16915 1
196 . 2 2 9 9 SER HB3 H 1 3.850 0.002 . 2 . . . . 9 SER HB . 16915 1
197 . 2 2 10 10 HIS H H 1 7.961 0.001 . 1 . . . . 10 HIS H . 16915 1
198 . 2 2 10 10 HIS HA H 1 4.475 0.003 . 1 . . . . 10 HIS HA . 16915 1
199 . 2 2 10 10 HIS HB2 H 1 3.514 0.003 . 2 . . . . 10 HIS HB2 . 16915 1
200 . 2 2 10 10 HIS HB3 H 1 3.258 0.001 . 2 . . . . 10 HIS HB3 . 16915 1
201 . 2 2 10 10 HIS HD2 H 1 7.432 0.001 . 1 . . . . 10 HIS HD2 . 16915 1
202 . 2 2 11 11 LEU H H 1 7.106 0.002 . 1 . . . . 11 LEU H . 16915 1
203 . 2 2 11 11 LEU HA H 1 4.006 0.002 . 1 . . . . 11 LEU HA . 16915 1
204 . 2 2 11 11 LEU HB2 H 1 1.862 0.001 . 2 . . . . 11 LEU HB2 . 16915 1
205 . 2 2 11 11 LEU HB3 H 1 1.233 0.004 . 2 . . . . 11 LEU HB3 . 16915 1
206 . 2 2 11 11 LEU HD11 H 1 0.816 0.002 . 1 . . . . 11 LEU QD1 . 16915 1
207 . 2 2 11 11 LEU HD12 H 1 0.816 0.002 . 1 . . . . 11 LEU QD1 . 16915 1
208 . 2 2 11 11 LEU HD13 H 1 0.816 0.002 . 1 . . . . 11 LEU QD1 . 16915 1
209 . 2 2 11 11 LEU HD21 H 1 0.759 0.002 . 1 . . . . 11 LEU QD2 . 16915 1
210 . 2 2 11 11 LEU HD22 H 1 0.759 0.002 . 1 . . . . 11 LEU QD2 . 16915 1
211 . 2 2 11 11 LEU HD23 H 1 0.759 0.002 . 1 . . . . 11 LEU QD2 . 16915 1
212 . 2 2 11 11 LEU HG H 1 1.386 0.004 . 1 . . . . 11 LEU HG . 16915 1
213 . 2 2 12 12 VAL H H 1 7.319 0.001 . 1 . . . . 12 VAL H . 16915 1
214 . 2 2 12 12 VAL HA H 1 3.415 0.001 . 1 . . . . 12 VAL HA . 16915 1
215 . 2 2 12 12 VAL HB H 1 2.058 0.000 . 1 . . . . 12 VAL HB . 16915 1
216 . 2 2 12 12 VAL HG11 H 1 0.977 0.002 . 1 . . . . 12 VAL QG1 . 16915 1
217 . 2 2 12 12 VAL HG12 H 1 0.977 0.002 . 1 . . . . 12 VAL QG1 . 16915 1
218 . 2 2 12 12 VAL HG13 H 1 0.977 0.002 . 1 . . . . 12 VAL QG1 . 16915 1
219 . 2 2 12 12 VAL HG21 H 1 0.917 0.001 . 1 . . . . 12 VAL QG2 . 16915 1
220 . 2 2 12 12 VAL HG22 H 1 0.917 0.001 . 1 . . . . 12 VAL QG2 . 16915 1
221 . 2 2 12 12 VAL HG23 H 1 0.917 0.001 . 1 . . . . 12 VAL QG2 . 16915 1
222 . 2 2 13 13 GLU H H 1 7.954 0.001 . 1 . . . . 13 GLU H . 16915 1
223 . 2 2 13 13 GLU HA H 1 4.066 0.000 . 1 . . . . 13 GLU HA . 16915 1
224 . 2 2 13 13 GLU HB2 H 1 2.137 0.002 . 2 . . . . 13 GLU HB2 . 16915 1
225 . 2 2 13 13 GLU HB3 H 1 2.072 0.000 . 2 . . . . 13 GLU HB3 . 16915 1
226 . 2 2 13 13 GLU HG2 H 1 2.520 0.003 . 2 . . . . 13 GLU HG2 . 16915 1
227 . 2 2 14 14 ALA H H 1 7.780 0.001 . 1 . . . . 14 ALA H . 16915 1
228 . 2 2 14 14 ALA HA H 1 4.075 0.003 . 1 . . . . 14 ALA HA . 16915 1
229 . 2 2 14 14 ALA HB1 H 1 1.462 0.001 . 1 . . . . 14 ALA QB . 16915 1
230 . 2 2 14 14 ALA HB2 H 1 1.462 0.001 . 1 . . . . 14 ALA QB . 16915 1
231 . 2 2 14 14 ALA HB3 H 1 1.462 0.001 . 1 . . . . 14 ALA QB . 16915 1
232 . 2 2 15 15 LEU H H 1 8.125 0.001 . 1 . . . . 15 LEU H . 16915 1
233 . 2 2 15 15 LEU HA H 1 3.965 0.001 . 1 . . . . 15 LEU HA . 16915 1
234 . 2 2 15 15 LEU HB2 H 1 1.628 0.002 . 2 . . . . 15 LEU HB2 . 16915 1
235 . 2 2 15 15 LEU HB3 H 1 1.301 0.004 . 2 . . . . 15 LEU HB3 . 16915 1
236 . 2 2 15 15 LEU HD11 H 1 0.737 0.004 . 1 . . . . 15 LEU QD1 . 16915 1
237 . 2 2 15 15 LEU HD12 H 1 0.737 0.004 . 1 . . . . 15 LEU QD1 . 16915 1
238 . 2 2 15 15 LEU HD13 H 1 0.737 0.004 . 1 . . . . 15 LEU QD1 . 16915 1
239 . 2 2 15 15 LEU HD21 H 1 0.637 0.001 . 1 . . . . 15 LEU QD2 . 16915 1
240 . 2 2 15 15 LEU HD22 H 1 0.637 0.001 . 1 . . . . 15 LEU QD2 . 16915 1
241 . 2 2 15 15 LEU HD23 H 1 0.637 0.001 . 1 . . . . 15 LEU QD2 . 16915 1
242 . 2 2 16 16 TYR H H 1 8.173 0.001 . 1 . . . . 16 TYR H . 16915 1
243 . 2 2 16 16 TYR HA H 1 4.166 0.002 . 1 . . . . 16 TYR HA . 16915 1
244 . 2 2 16 16 TYR HB2 H 1 3.108 0.002 . 2 . . . . 16 TYR HB . 16915 1
245 . 2 2 16 16 TYR HB3 H 1 3.108 0.002 . 2 . . . . 16 TYR HB . 16915 1
246 . 2 2 16 16 TYR HD1 H 1 7.086 0.003 . 3 . . . . 16 TYR QD . 16915 1
247 . 2 2 16 16 TYR HD2 H 1 7.086 0.003 . 3 . . . . 16 TYR QD . 16915 1
248 . 2 2 16 16 TYR HE1 H 1 6.738 0.003 . 3 . . . . 16 TYR QE . 16915 1
249 . 2 2 16 16 TYR HE2 H 1 6.738 0.003 . 3 . . . . 16 TYR QE . 16915 1
250 . 2 2 17 17 LEU H H 1 7.939 0.001 . 1 . . . . 17 LEU H . 16915 1
251 . 2 2 17 17 LEU HA H 1 4.059 0.002 . 1 . . . . 17 LEU HA . 16915 1
252 . 2 2 17 17 LEU HB2 H 1 1.881 0.001 . 2 . . . . 17 LEU HB2 . 16915 1
253 . 2 2 17 17 LEU HB3 H 1 1.619 0.004 . 2 . . . . 17 LEU HB3 . 16915 1
254 . 2 2 17 17 LEU HD11 H 1 0.920 0.003 . 1 . . . . 17 LEU QD1 . 16915 1
255 . 2 2 17 17 LEU HD12 H 1 0.920 0.003 . 1 . . . . 17 LEU QD1 . 16915 1
256 . 2 2 17 17 LEU HD13 H 1 0.920 0.003 . 1 . . . . 17 LEU QD1 . 16915 1
257 . 2 2 18 18 VAL H H 1 8.416 0.004 . 1 . . . . 18 VAL H . 16915 1
258 . 2 2 18 18 VAL HA H 1 3.834 0.001 . 1 . . . . 18 VAL HA . 16915 1
259 . 2 2 18 18 VAL HB H 1 2.104 0.003 . 1 . . . . 18 VAL HB . 16915 1
260 . 2 2 18 18 VAL HG11 H 1 1.017 0.001 . 1 . . . . 18 VAL QG1 . 16915 1
261 . 2 2 18 18 VAL HG12 H 1 1.017 0.001 . 1 . . . . 18 VAL QG1 . 16915 1
262 . 2 2 18 18 VAL HG13 H 1 1.017 0.001 . 1 . . . . 18 VAL QG1 . 16915 1
263 . 2 2 18 18 VAL HG21 H 1 0.886 0.001 . 1 . . . . 18 VAL QG2 . 16915 1
264 . 2 2 18 18 VAL HG22 H 1 0.886 0.001 . 1 . . . . 18 VAL QG2 . 16915 1
265 . 2 2 18 18 VAL HG23 H 1 0.886 0.001 . 1 . . . . 18 VAL QG2 . 16915 1
266 . 2 2 19 19 CYS H H 1 8.630 0.002 . 1 . . . . 19 CYS H . 16915 1
267 . 2 2 19 19 CYS HA H 1 4.698 0.003 . 1 . . . . 19 CYS HA . 16915 1
268 . 2 2 19 19 CYS HB2 H 1 3.177 0.002 . 2 . . . . 19 CYS HB2 . 16915 1
269 . 2 2 19 19 CYS HB3 H 1 2.936 0.001 . 2 . . . . 19 CYS HB3 . 16915 1
270 . 2 2 20 20 GLY H H 1 7.820 0.002 . 1 . . . . 20 GLY H . 16915 1
271 . 2 2 20 20 GLY HA2 H 1 3.873 0.001 . 2 . . . . 20 GLY HA . 16915 1
272 . 2 2 20 20 GLY HA3 H 1 3.873 0.001 . 2 . . . . 20 GLY HA . 16915 1
273 . 2 2 21 21 GLU H H 1 8.033 0.001 . 1 . . . . 21 GLU H . 16915 1
274 . 2 2 21 21 GLU HA H 1 4.221 0.002 . 1 . . . . 21 GLU HA . 16915 1
275 . 2 2 21 21 GLU HB2 H 1 2.148 0.001 . 2 . . . . 21 GLU HB2 . 16915 1
276 . 2 2 21 21 GLU HB3 H 1 2.067 0.001 . 2 . . . . 21 GLU HB3 . 16915 1
277 . 2 2 21 21 GLU HG2 H 1 2.507 0.001 . 2 . . . . 21 GLU HG2 . 16915 1
278 . 2 2 21 21 GLU HG3 H 1 2.455 0.004 . 2 . . . . 21 GLU HG3 . 16915 1
279 . 2 2 22 22 ARG H H 1 7.832 0.002 . 1 . . . . 22 ARG H . 16915 1
280 . 2 2 22 22 ARG HA H 1 4.202 0.004 . 1 . . . . 22 ARG HA . 16915 1
281 . 2 2 22 22 ARG HB2 H 1 1.910 0.004 . 2 . . . . 22 ARG HB2 . 16915 1
282 . 2 2 22 22 ARG HB3 H 1 1.849 0.002 . 2 . . . . 22 ARG HB3 . 16915 1
283 . 2 2 22 22 ARG HD2 H 1 3.186 0.002 . 2 . . . . 22 ARG QD . 16915 1
284 . 2 2 22 22 ARG HD3 H 1 3.186 0.002 . 2 . . . . 22 ARG QD . 16915 1
285 . 2 2 22 22 ARG HE H 1 7.182 0.001 . 1 . . . . 22 ARG HE . 16915 1
286 . 2 2 22 22 ARG HG2 H 1 1.683 0.002 . 2 . . . . 22 ARG QG . 16915 1
287 . 2 2 22 22 ARG HG3 H 1 1.683 0.002 . 2 . . . . 22 ARG QG . 16915 1
288 . 2 2 23 23 GLY H H 1 7.864 0.002 . 1 . . . . 23 GLY H . 16915 1
289 . 2 2 23 23 GLY HA2 H 1 3.835 0.001 . 2 . . . . 23 GLY HA . 16915 1
290 . 2 2 23 23 GLY HA3 H 1 3.835 0.001 . 2 . . . . 23 GLY HA . 16915 1
291 . 2 2 24 24 PHE H H 1 7.718 0.001 . 1 . . . . 24 PHE H . 16915 1
292 . 2 2 24 24 PHE HA H 1 4.561 0.001 . 1 . . . . 24 PHE HA . 16915 1
293 . 2 2 24 24 PHE HB2 H 1 2.962 0.003 . 2 . . . . 24 PHE HB2 . 16915 1
294 . 2 2 24 24 PHE HB3 H 1 2.877 0.006 . 2 . . . . 24 PHE HB3 . 16915 1
295 . 2 2 24 24 PHE HD1 H 1 7.031 0.002 . 3 . . . . 24 PHE QD . 16915 1
296 . 2 2 24 24 PHE HD2 H 1 7.031 0.002 . 3 . . . . 24 PHE QD . 16915 1
297 . 2 2 24 24 PHE HE1 H 1 7.195 0.002 . 3 . . . . 24 PHE QE . 16915 1
298 . 2 2 24 24 PHE HE2 H 1 7.195 0.002 . 3 . . . . 24 PHE QE . 16915 1
299 . 2 2 25 25 PHE H H 1 7.910 0.001 . 1 . . . . 25 PHE H . 16915 1
300 . 2 2 25 25 PHE HA H 1 4.545 0.000 . 1 . . . . 25 PHE HA . 16915 1
301 . 2 2 25 25 PHE HB2 H 1 3.059 0.005 . 2 . . . . 25 PHE HB2 . 16915 1
302 . 2 2 25 25 PHE HB3 H 1 2.922 0.004 . 2 . . . . 25 PHE HB3 . 16915 1
303 . 2 2 25 25 PHE HD1 H 1 7.186 0.002 . 3 . . . . 25 PHE QD . 16915 1
304 . 2 2 25 25 PHE HD2 H 1 7.186 0.002 . 3 . . . . 25 PHE QD . 16915 1
305 . 2 2 25 25 PHE HE1 H 1 7.295 0.003 . 3 . . . . 25 PHE QE . 16915 1
306 . 2 2 25 25 PHE HE2 H 1 7.295 0.003 . 3 . . . . 25 PHE QE . 16915 1
307 . 2 2 26 26 TYR H H 1 7.781 0.001 . 1 . . . . 26 TYR H . 16915 1
308 . 2 2 26 26 TYR HA H 1 4.563 0.001 . 1 . . . . 26 TYR HA . 16915 1
309 . 2 2 26 26 TYR HB2 H 1 2.985 0.003 . 2 . . . . 26 TYR HB2 . 16915 1
310 . 2 2 26 26 TYR HB3 H 1 2.902 0.013 . 2 . . . . 26 TYR HB3 . 16915 1
311 . 2 2 26 26 TYR HD1 H 1 7.072 0.002 . 3 . . . . 26 TYR QD . 16915 1
312 . 2 2 26 26 TYR HD2 H 1 7.072 0.002 . 3 . . . . 26 TYR QD . 16915 1
313 . 2 2 26 26 TYR HE1 H 1 6.784 0.002 . 3 . . . . 26 TYR QE . 16915 1
314 . 2 2 26 26 TYR HE2 H 1 6.784 0.002 . 3 . . . . 26 TYR QE . 16915 1
315 . 2 2 27 27 THR H H 1 7.692 0.001 . 1 . . . . 27 THR H . 16915 1
316 . 2 2 27 27 THR HA H 1 4.560 0.004 . 1 . . . . 27 THR HA . 16915 1
317 . 2 2 27 27 THR HB H 1 4.082 0.001 . 1 . . . . 27 THR HB . 16915 1
318 . 2 2 27 27 THR HG21 H 1 1.180 0.001 . 1 . . . . 27 THR QG2 . 16915 1
319 . 2 2 27 27 THR HG22 H 1 1.180 0.001 . 1 . . . . 27 THR QG2 . 16915 1
320 . 2 2 27 27 THR HG23 H 1 1.180 0.001 . 1 . . . . 27 THR QG2 . 16915 1
321 . 2 2 28 28 PRO HA H 1 4.338 0.001 . 1 . . . . 28 PRO HA . 16915 1
322 . 2 2 28 28 PRO HB2 H 1 2.269 0.001 . 2 . . . . 28 PRO HB2 . 16915 1
323 . 2 2 28 28 PRO HB3 H 1 1.941 0.000 . 2 . . . . 28 PRO HB3 . 16915 1
324 . 2 2 28 28 PRO HD2 H 1 3.666 0.001 . 2 . . . . 28 PRO QD . 16915 1
325 . 2 2 28 28 PRO HD3 H 1 3.666 0.001 . 2 . . . . 28 PRO QD . 16915 1
326 . 2 2 28 28 PRO HG2 H 1 1.991 0.001 . 2 . . . . 28 PRO HG2 . 16915 1
327 . 2 2 28 28 PRO HG3 H 1 1.944 0.000 . 2 . . . . 28 PRO HG3 . 16915 1
328 . 2 2 29 29 LYS H H 1 8.169 0.002 . 1 . . . . 29 LYS H . 16915 1
329 . 2 2 29 29 LYS HB2 H 1 1.831 0.002 . 2 . . . . 29 LYS HB2 . 16915 1
330 . 2 2 29 29 LYS HB3 H 1 1.729 0.003 . 2 . . . . 29 LYS HB3 . 16915 1
331 . 2 2 30 30 THR H H 1 7.790 0.004 . 1 . . . . 30 THR H . 16915 1
332 . 2 2 30 30 THR HA H 1 4.285 0.004 . 1 . . . . 30 THR HA . 16915 1
333 . 2 2 30 30 THR HB H 1 4.175 0.001 . 1 . . . . 30 THR HB . 16915 1
334 . 2 2 30 30 THR HG21 H 1 1.171 0.002 . 1 . . . . 30 THR QG2 . 16915 1
335 . 2 2 30 30 THR HG22 H 1 1.171 0.002 . 1 . . . . 30 THR QG2 . 16915 1
336 . 2 2 30 30 THR HG23 H 1 1.171 0.002 . 1 . . . . 30 THR QG2 . 16915 1
337 . 2 2 31 31 LYS H H 1 8.053 0.001 . 1 . . . . 31 LYS H . 16915 1
338 . 2 2 31 31 LYS HA H 1 4.335 0.001 . 1 . . . . 31 LYS HA . 16915 1
339 . 2 2 31 31 LYS HB2 H 1 1.836 0.000 . 2 . . . . 31 LYS HB2 . 16915 1
340 . 2 2 31 31 LYS HB3 H 1 1.720 0.000 . 2 . . . . 31 LYS HB3 . 16915 1
341 . 2 2 31 31 LYS HD2 H 1 1.657 0.004 . 2 . . . . 31 LYS QD . 16915 1
342 . 2 2 31 31 LYS HD3 H 1 1.657 0.004 . 2 . . . . 31 LYS QD . 16915 1
343 . 2 2 31 31 LYS HE2 H 1 2.948 0.001 . 2 . . . . 31 LYS QE . 16915 1
344 . 2 2 31 31 LYS HE3 H 1 2.948 0.001 . 2 . . . . 31 LYS QE . 16915 1
345 . 2 2 31 31 LYS HG2 H 1 1.416 0.000 . 2 . . . . 31 LYS QG . 16915 1
346 . 2 2 31 31 LYS HG3 H 1 1.416 0.000 . 2 . . . . 31 LYS QG . 16915 1
347 . 2 2 32 32 ARG H H 1 8.168 0.001 . 1 . . . . 32 ARG H . 16915 1
348 . 2 2 32 32 ARG HB2 H 1 1.891 0.003 . 2 . . . . 32 ARG HB2 . 16915 1
349 . 2 2 32 32 ARG HB3 H 1 1.744 0.001 . 2 . . . . 32 ARG HB3 . 16915 1
350 . 2 2 32 32 ARG HD2 H 1 3.172 0.001 . 2 . . . . 32 ARG QD . 16915 1
351 . 2 2 32 32 ARG HD3 H 1 3.172 0.001 . 2 . . . . 32 ARG QD . 16915 1
stop_
save_