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 12021
_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' 1 $sample_1 isotropic 12021 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 12021 1
3 '2D DQF-COSY' 1 $sample_1 isotropic 12021 1
4 '2D 1H-15N HSQC' 1 $sample_1 isotropic 12021 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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 PCA H H 1 7.865 0.002 2 . . . . . . 1 PGA HN . 12021 1
2 . 1 1 1 1 PCA HA H 1 4.297 0.000 1 . . . . . . 1 PGA HA . 12021 1
3 . 1 1 1 1 PCA HB2 H 1 1.997 0.006 2 . . . . . . 1 PGA QB . 12021 1
4 . 1 1 1 1 PCA HB3 H 1 1.997 0.006 2 . . . . . . 1 PGA QB . 12021 1
5 . 1 1 1 1 PCA HG2 H 1 2.335 0.001 2 . . . . . . 1 PGA HG2 . 12021 1
6 . 1 1 1 1 PCA HG3 H 1 2.458 0.002 2 . . . . . . 1 PGA HG3 . 12021 1
7 . 1 1 2 2 ASP H H 1 8.463 0.001 5 . . . . . . 2 ASP HN . 12021 1
8 . 1 1 2 2 ASP HA H 1 4.577 0.003 2 . . . . . . 2 ASP HA . 12021 1
9 . 1 1 2 2 ASP HB2 H 1 2.502 0.001 2 . . . . . . 2 ASP HB2 . 12021 1
10 . 1 1 2 2 ASP HB3 H 1 2.610 0.001 2 . . . . . . 2 ASP HB3 . 12021 1
11 . 1 1 2 2 ASP CA C 13 54.096 0.003 2 . . . . . . 2 ASP CA . 12021 1
12 . 1 1 3 3 ARG H H 1 8.152 0.001 8 . . . . . . 3 ARG HN . 12021 1
13 . 1 1 3 3 ARG HA H 1 4.476 0.002 3 . . . . . . 3 ARG HA . 12021 1
14 . 1 1 3 3 ARG HB2 H 1 1.602 0.002 5 . . . . . . 3 ARG QB . 12021 1
15 . 1 1 3 3 ARG HB3 H 1 1.602 0.002 5 . . . . . . 3 ARG QB . 12021 1
16 . 1 1 3 3 ARG HG2 H 1 1.494 0.008 4 . . . . . . 3 ARG QG . 12021 1
17 . 1 1 3 3 ARG HG3 H 1 1.494 0.008 4 . . . . . . 3 ARG QG . 12021 1
18 . 1 1 3 3 ARG CA C 13 53.853 0.002 3 . . . . . . 3 ARG CA . 12021 1
19 . 1 1 4 4 PRO HA H 1 4.170 0.003 8 . . . . . . 4 PRO HA . 12021 1
20 . 1 1 4 4 PRO HB2 H 1 1.810 0.006 2 . . . . . . 4 PRO HB2 . 12021 1
21 . 1 1 4 4 PRO HB3 H 1 1.901 0.006 4 . . . . . . 4 PRO HB3 . 12021 1
22 . 1 1 4 4 PRO HD2 H 1 3.543 0.003 4 . . . . . . 4 PRO HD2 . 12021 1
23 . 1 1 4 4 PRO HD3 H 1 3.717 0.004 4 . . . . . . 4 PRO HD3 . 12021 1
24 . 1 1 4 4 PRO HG2 H 1 0.803 0.002 4 . . . . . . 4 PRO HG2 . 12021 1
25 . 1 1 4 4 PRO HG3 H 1 1.601 0.003 3 . . . . . . 4 PRO HG3 . 12021 1
26 . 1 1 4 4 PRO CA C 13 62.911 0.003 8 . . . . . . 4 PRO CA . 12021 1
27 . 1 1 5 5 LYS H H 1 8.607 0.003 8 . . . . . . 5 LYS HN . 12021 1
28 . 1 1 5 5 LYS HA H 1 4.050 0.004 7 . . . . . . 5 LYS HA . 12021 1
29 . 1 1 5 5 LYS HB2 H 1 1.897 0.008 4 . . . . . . 5 LYS QB . 12021 1
30 . 1 1 5 5 LYS HB3 H 1 1.897 0.008 4 . . . . . . 5 LYS QB . 12021 1
31 . 1 1 5 5 LYS HD2 H 1 1.675 0.000 1 . . . . . . 5 LYS QD . 12021 1
32 . 1 1 5 5 LYS HD3 H 1 1.675 0.000 1 . . . . . . 5 LYS QD . 12021 1
33 . 1 1 5 5 LYS HG2 H 1 1.586 0.000 1 . . . . . . 5 LYS QG . 12021 1
34 . 1 1 5 5 LYS HG3 H 1 1.586 0.000 1 . . . . . . 5 LYS QG . 12021 1
35 . 1 1 5 5 LYS CA C 13 59.173 0.004 7 . . . . . . 5 LYS CA . 12021 1
36 . 1 1 6 6 PHE H H 1 7.302 0.002 3 . . . . . . 6 PHE HN . 12021 1
37 . 1 1 6 6 PHE HA H 1 4.508 0.003 4 . . . . . . 6 PHE HA . 12021 1
38 . 1 1 6 6 PHE HB2 H 1 3.086 0.005 5 . . . . . . 6 PHE HB2 . 12021 1
39 . 1 1 6 6 PHE HB3 H 1 3.210 0.007 4 . . . . . . 6 PHE HB3 . 12021 1
40 . 1 1 6 6 PHE HD1 H 1 6.945 0.008 15 . . . . . . 6 PHE QD . 12021 1
41 . 1 1 6 6 PHE HD2 H 1 6.945 0.008 15 . . . . . . 6 PHE QD . 12021 1
42 . 1 1 6 6 PHE HE1 H 1 7.335 0.002 6 . . . . . . 6 PHE QE . 12021 1
43 . 1 1 6 6 PHE HE2 H 1 7.335 0.002 6 . . . . . . 6 PHE QE . 12021 1
44 . 1 1 6 6 PHE HZ H 1 7.336 0.001 2 . . . . . . 6 PHE HZ . 12021 1
45 . 1 1 6 6 PHE CA C 13 62.397 0.003 4 . . . . . . 6 PHE CA . 12021 1
46 . 1 1 7 7 CYS H H 1 7.353 0.004 8 . . . . . . 7 CYS HN . 12021 1
47 . 1 1 7 7 CYS HA H 1 4.147 0.002 2 . . . . . . 7 CYS HA . 12021 1
48 . 1 1 7 7 CYS HB2 H 1 2.275 0.000 1 . . . . . . 7 CYS HB2 . 12021 1
49 . 1 1 7 7 CYS HB3 H 1 2.457 0.005 2 . . . . . . 7 CYS HB3 . 12021 1
50 . 1 1 7 7 CYS CA C 13 58.150 0.002 2 . . . . . . 7 CYS CA . 12021 1
51 . 1 1 8 8 TYR H H 1 7.296 0.002 7 . . . . . . 8 TYR HN . 12021 1
52 . 1 1 8 8 TYR HA H 1 4.425 0.005 6 . . . . . . 8 TYR HA . 12021 1
53 . 1 1 8 8 TYR HB2 H 1 2.765 0.009 3 . . . . . . 8 TYR HB2 . 12021 1
54 . 1 1 8 8 TYR HB3 H 1 3.398 0.004 4 . . . . . . 8 TYR HB3 . 12021 1
55 . 1 1 8 8 TYR HD1 H 1 7.228 0.004 8 . . . . . . 8 TYR QD . 12021 1
56 . 1 1 8 8 TYR HD2 H 1 7.228 0.004 8 . . . . . . 8 TYR QD . 12021 1
57 . 1 1 8 8 TYR HE1 H 1 6.767 0.004 9 . . . . . . 8 TYR QE . 12021 1
58 . 1 1 8 8 TYR HE2 H 1 6.767 0.004 9 . . . . . . 8 TYR QE . 12021 1
59 . 1 1 8 8 TYR CA C 13 58.002 0.005 6 . . . . . . 8 TYR CA . 12021 1
60 . 1 1 9 9 LEU H H 1 7.587 0.003 14 . . . . . . 9 LEU HN . 12021 1
61 . 1 1 9 9 LEU HA H 1 4.545 0.002 3 . . . . . . 9 LEU HA . 12021 1
62 . 1 1 9 9 LEU HB2 H 1 1.931 0.000 2 . . . . . . 9 LEU HB2 . 12021 1
63 . 1 1 9 9 LEU HB3 H 1 1.972 0.003 4 . . . . . . 9 LEU HB3 . 12021 1
64 . 1 1 9 9 LEU HD11 H 1 1.089 0.002 10 . . . . . . 9 LEU QD1 . 12021 1
65 . 1 1 9 9 LEU HD12 H 1 1.089 0.002 10 . . . . . . 9 LEU QD1 . 12021 1
66 . 1 1 9 9 LEU HD13 H 1 1.089 0.002 10 . . . . . . 9 LEU QD1 . 12021 1
67 . 1 1 9 9 LEU HD21 H 1 0.993 0.003 6 . . . . . . 9 LEU QD2 . 12021 1
68 . 1 1 9 9 LEU HD22 H 1 0.993 0.003 6 . . . . . . 9 LEU QD2 . 12021 1
69 . 1 1 9 9 LEU HD23 H 1 0.993 0.003 6 . . . . . . 9 LEU QD2 . 12021 1
70 . 1 1 9 9 LEU HG H 1 1.572 0.001 3 . . . . . . 9 LEU HG . 12021 1
71 . 1 1 9 9 LEU CA C 13 52.250 0.002 3 . . . . . . 9 LEU CA . 12021 1
72 . 1 1 10 10 PRO HA H 1 3.571 0.005 2 . . . . . . 10 PRO HA . 12021 1
73 . 1 1 10 10 PRO HB2 H 1 1.776 0.000 1 . . . . . . 10 PRO QB . 12021 1
74 . 1 1 10 10 PRO HB3 H 1 1.776 0.000 1 . . . . . . 10 PRO QB . 12021 1
75 . 1 1 10 10 PRO HD2 H 1 3.579 0.001 3 . . . . . . 10 PRO HD2 . 12021 1
76 . 1 1 10 10 PRO HD3 H 1 3.806 0.001 4 . . . . . . 10 PRO HD3 . 12021 1
77 . 1 1 10 10 PRO HG2 H 1 2.239 0.000 1 . . . . . . 10 PRO QG . 12021 1
78 . 1 1 10 10 PRO HG3 H 1 2.239 0.000 1 . . . . . . 10 PRO QG . 12021 1
79 . 1 1 10 10 PRO CA C 13 63.428 0.005 2 . . . . . . 10 PRO CA . 12021 1
80 . 1 1 11 11 ASP H H 1 8.146 0.001 9 . . . . . . 11 ASP HN . 12021 1
81 . 1 1 11 11 ASP HA H 1 3.673 0.002 4 . . . . . . 11 ASP HA . 12021 1
82 . 1 1 11 11 ASP HB2 H 1 0.332 0.002 5 . . . . . . 11 ASP HB2 . 12021 1
83 . 1 1 11 11 ASP HB3 H 1 0.097 0.002 5 . . . . . . 11 ASP HB3 . 12021 1
84 . 1 1 11 11 ASP CA C 13 52.930 0.002 4 . . . . . . 11 ASP CA . 12021 1
85 . 1 1 12 12 ASP H H 1 7.396 0.005 11 . . . . . . 12 ASP HN . 12021 1
86 . 1 1 12 12 ASP HA H 1 5.125 0.002 5 . . . . . . 12 ASP HA . 12021 1
87 . 1 1 12 12 ASP HB2 H 1 2.267 0.001 4 . . . . . . 12 ASP HB2 . 12021 1
88 . 1 1 12 12 ASP HB3 H 1 2.614 0.005 5 . . . . . . 12 ASP HB3 . 12021 1
89 . 1 1 12 12 ASP CA C 13 49.604 0.002 5 . . . . . . 12 ASP CA . 12021 1
90 . 1 1 13 13 PRO HA H 1 4.490 0.004 7 . . . . . . 13 PRO HA . 12021 1
91 . 1 1 13 13 PRO HB2 H 1 2.895 0.004 6 . . . . . . 13 PRO QB . 12021 1
92 . 1 1 13 13 PRO HB3 H 1 2.895 0.004 6 . . . . . . 13 PRO QB . 12021 1
93 . 1 1 13 13 PRO HD2 H 1 3.774 0.004 5 . . . . . . 13 PRO HD2 . 12021 1
94 . 1 1 13 13 PRO HD3 H 1 3.989 0.003 3 . . . . . . 13 PRO HD3 . 12021 1
95 . 1 1 13 13 PRO HG2 H 1 2.180 0.000 1 . . . . . . 13 PRO HG2 . 12021 1
96 . 1 1 13 13 PRO HG3 H 1 2.233 0.000 1 . . . . . . 13 PRO HG3 . 12021 1
97 . 1 1 13 13 PRO CA C 13 62.990 0.004 7 . . . . . . 13 PRO CA . 12021 1
98 . 1 1 14 14 GLY H H 1 8.447 0.001 5 . . . . . . 14 GLY HN . 12021 1
99 . 1 1 14 14 GLY HA2 H 1 4.059 0.001 2 . . . . . . 14 GLY HA2 . 12021 1
100 . 1 1 14 14 GLY HA3 H 1 4.188 0.004 4 . . . . . . 14 GLY HA3 . 12021 1
101 . 1 1 14 14 GLY CA C 13 44.892 0.001 2 . . . . . . 14 GLY CA . 12021 1
102 . 1 1 15 15 VAL H H 1 7.975 0.001 7 . . . . . . 15 VAL HN . 12021 1
103 . 1 1 15 15 VAL HA H 1 4.455 0.000 1 . . . . . . 15 VAL HA . 12021 1
104 . 1 1 15 15 VAL HB H 1 2.389 0.000 1 . . . . . . 15 VAL HB . 12021 1
105 . 1 1 15 15 VAL HG11 H 1 0.906 0.001 2 . . . . . . 15 VAL QG1 . 12021 1
106 . 1 1 15 15 VAL HG12 H 1 0.906 0.001 2 . . . . . . 15 VAL QG1 . 12021 1
107 . 1 1 15 15 VAL HG13 H 1 0.906 0.001 2 . . . . . . 15 VAL QG1 . 12021 1
108 . 1 1 15 15 VAL HG21 H 1 0.830 0.000 2 . . . . . . 15 VAL QG2 . 12021 1
109 . 1 1 15 15 VAL HG22 H 1 0.830 0.000 2 . . . . . . 15 VAL QG2 . 12021 1
110 . 1 1 15 15 VAL HG23 H 1 0.830 0.000 2 . . . . . . 15 VAL QG2 . 12021 1
111 . 1 1 15 15 VAL CA C 13 63.550 0.000 1 . . . . . . 15 VAL CA . 12021 1
112 . 1 1 16 16 CYS H H 1 9.147 0.003 11 . . . . . . 16 CYS HN . 12021 1
113 . 1 1 16 16 CYS HA H 1 4.553 0.002 2 . . . . . . 16 CYS HA . 12021 1
114 . 1 1 16 16 CYS HB2 H 1 2.792 0.001 2 . . . . . . 16 CYS HB2 . 12021 1
115 . 1 1 16 16 CYS HB3 H 1 3.284 0.004 4 . . . . . . 16 CYS HB3 . 12021 1
116 . 1 1 16 16 CYS CA C 13 53.931 0.002 2 . . . . . . 16 CYS CA . 12021 1
117 . 1 1 17 17 LYS H H 1 8.050 0.002 8 . . . . . . 17 LYS HN . 12021 1
118 . 1 1 17 17 LYS HA H 1 4.494 0.001 2 . . . . . . 17 LYS HA . 12021 1
119 . 1 1 17 17 LYS HB2 H 1 2.075 0.005 6 . . . . . . 17 LYS QB . 12021 1
120 . 1 1 17 17 LYS HB3 H 1 2.075 0.005 6 . . . . . . 17 LYS QB . 12021 1
121 . 1 1 17 17 LYS HD2 H 1 1.498 0.001 2 . . . . . . 17 LYS QD . 12021 1
122 . 1 1 17 17 LYS HD3 H 1 1.498 0.001 2 . . . . . . 17 LYS QD . 12021 1
123 . 1 1 17 17 LYS HG2 H 1 1.346 0.000 1 . . . . . . 17 LYS HG2 . 12021 1
124 . 1 1 17 17 LYS HG3 H 1 1.213 0.000 1 . . . . . . 17 LYS HG3 . 12021 1
125 . 1 1 17 17 LYS CA C 13 58.328 0.001 2 . . . . . . 17 LYS CA . 12021 1
126 . 1 1 18 18 ALA H H 1 8.109 0.003 7 . . . . . . 18 ALA HN . 12021 1
127 . 1 1 18 18 ALA HA H 1 4.240 0.001 2 . . . . . . 18 ALA HA . 12021 1
128 . 1 1 18 18 ALA HB1 H 1 1.151 0.003 5 . . . . . . 18 ALA QB . 12021 1
129 . 1 1 18 18 ALA HB2 H 1 1.151 0.003 5 . . . . . . 18 ALA QB . 12021 1
130 . 1 1 18 18 ALA HB3 H 1 1.151 0.003 5 . . . . . . 18 ALA QB . 12021 1
131 . 1 1 18 18 ALA CA C 13 51.827 0.001 2 . . . . . . 18 ALA CA . 12021 1
132 . 1 1 19 19 HIS H H 1 8.549 0.007 10 . . . . . . 19 HIS HN . 12021 1
133 . 1 1 19 19 HIS HA H 1 4.440 0.004 4 . . . . . . 19 HIS HA . 12021 1
134 . 1 1 19 19 HIS HB2 H 1 2.897 0.006 4 . . . . . . 19 HIS HB2 . 12021 1
135 . 1 1 19 19 HIS HB3 H 1 3.138 0.006 3 . . . . . . 19 HIS HB3 . 12021 1
136 . 1 1 19 19 HIS HD2 H 1 7.112 0.001 7 . . . . . . 19 HIS HD2 . 12021 1
137 . 1 1 19 19 HIS HE1 H 1 8.488 0.001 5 . . . . . . 19 HIS HE1 . 12021 1
138 . 1 1 19 19 HIS CA C 13 57.781 0.004 4 . . . . . . 19 HIS CA . 12021 1
139 . 1 1 20 20 ILE H H 1 8.226 0.001 12 . . . . . . 20 ILE HN . 12021 1
140 . 1 1 20 20 ILE HA H 1 4.508 0.000 2 . . . . . . 20 ILE HA . 12021 1
141 . 1 1 20 20 ILE HB H 1 1.871 0.005 5 . . . . . . 20 ILE HB . 12021 1
142 . 1 1 20 20 ILE HD11 H 1 0.629 0.005 7 . . . . . . 20 ILE QD1 . 12021 1
143 . 1 1 20 20 ILE HD12 H 1 0.629 0.005 7 . . . . . . 20 ILE QD1 . 12021 1
144 . 1 1 20 20 ILE HD13 H 1 0.629 0.005 7 . . . . . . 20 ILE QD1 . 12021 1
145 . 1 1 20 20 ILE HG12 H 1 1.310 0.008 6 . . . . . . 20 ILE QG1 . 12021 1
146 . 1 1 20 20 ILE HG13 H 1 1.310 0.008 6 . . . . . . 20 ILE QG1 . 12021 1
147 . 1 1 20 20 ILE HG21 H 1 0.884 0.005 9 . . . . . . 20 ILE QG2 . 12021 1
148 . 1 1 20 20 ILE HG22 H 1 0.884 0.005 9 . . . . . . 20 ILE QG2 . 12021 1
149 . 1 1 20 20 ILE HG23 H 1 0.884 0.005 9 . . . . . . 20 ILE QG2 . 12021 1
150 . 1 1 20 20 ILE CA C 13 60.425 0.000 2 . . . . . . 20 ILE CA . 12021 1
151 . 1 1 21 21 PRO HA H 1 4.434 0.000 2 . . . . . . 21 PRO HA . 12021 1
152 . 1 1 21 21 PRO HB2 H 1 2.184 0.000 1 . . . . . . 21 PRO QB . 12021 1
153 . 1 1 21 21 PRO HB3 H 1 2.184 0.000 1 . . . . . . 21 PRO QB . 12021 1
154 . 1 1 21 21 PRO HD2 H 1 3.916 0.005 4 . . . . . . 21 PRO QD . 12021 1
155 . 1 1 21 21 PRO HD3 H 1 3.916 0.005 4 . . . . . . 21 PRO QD . 12021 1
156 . 1 1 21 21 PRO HG2 H 1 1.775 0.006 2 . . . . . . 21 PRO QG . 12021 1
157 . 1 1 21 21 PRO HG3 H 1 1.775 0.006 2 . . . . . . 21 PRO QG . 12021 1
158 . 1 1 21 21 PRO CA C 13 62.247 0.000 2 . . . . . . 21 PRO CA . 12021 1
159 . 1 1 22 22 ARG H H 1 8.565 0.005 9 . . . . . . 22 ARG HN . 12021 1
160 . 1 1 22 22 ARG HA H 1 4.530 0.002 4 . . . . . . 22 ARG HA . 12021 1
161 . 1 1 22 22 ARG HB2 H 1 1.634 0.005 4 . . . . . . 22 ARG QB . 12021 1
162 . 1 1 22 22 ARG HB3 H 1 1.634 0.005 4 . . . . . . 22 ARG QB . 12021 1
163 . 1 1 22 22 ARG HG2 H 1 0.624 0.005 6 . . . . . . 22 ARG QG . 12021 1
164 . 1 1 22 22 ARG HG3 H 1 0.624 0.005 6 . . . . . . 22 ARG QG . 12021 1
165 . 1 1 22 22 ARG CA C 13 54.331 0.002 4 . . . . . . 22 ARG CA . 12021 1
166 . 1 1 23 23 PHE H H 1 9.114 0.002 9 . . . . . . 23 PHE HN . 12021 1
167 . 1 1 23 23 PHE HA H 1 5.771 0.002 8 . . . . . . 23 PHE HA . 12021 1
168 . 1 1 23 23 PHE HB2 H 1 2.746 0.002 3 . . . . . . 23 PHE HB2 . 12021 1
169 . 1 1 23 23 PHE HB3 H 1 2.639 0.004 3 . . . . . . 23 PHE HB3 . 12021 1
170 . 1 1 23 23 PHE HD1 H 1 6.755 0.002 23 . . . . . . 23 PHE QD . 12021 1
171 . 1 1 23 23 PHE HD2 H 1 6.755 0.002 23 . . . . . . 23 PHE QD . 12021 1
172 . 1 1 23 23 PHE HE1 H 1 7.323 0.003 9 . . . . . . 23 PHE QE . 12021 1
173 . 1 1 23 23 PHE HE2 H 1 7.323 0.003 9 . . . . . . 23 PHE QE . 12021 1
174 . 1 1 23 23 PHE HZ H 1 7.321 0.000 1 . . . . . . 23 PHE HZ . 12021 1
175 . 1 1 23 23 PHE CA C 13 57.200 0.002 8 . . . . . . 23 PHE CA . 12021 1
176 . 1 1 24 24 TYR H H 1 9.644 0.002 14 . . . . . . 24 TYR HN . 12021 1
177 . 1 1 24 24 TYR HA H 1 5.173 0.003 8 . . . . . . 24 TYR HA . 12021 1
178 . 1 1 24 24 TYR HB2 H 1 2.751 0.004 3 . . . . . . 24 TYR HB2 . 12021 1
179 . 1 1 24 24 TYR HB3 H 1 2.667 0.000 1 . . . . . . 24 TYR HB3 . 12021 1
180 . 1 1 24 24 TYR HD1 H 1 6.952 0.005 12 . . . . . . 24 TYR QD . 12021 1
181 . 1 1 24 24 TYR HD2 H 1 6.952 0.005 12 . . . . . . 24 TYR QD . 12021 1
182 . 1 1 24 24 TYR HE1 H 1 6.576 0.003 16 . . . . . . 24 TYR QE . 12021 1
183 . 1 1 24 24 TYR HE2 H 1 6.576 0.003 16 . . . . . . 24 TYR QE . 12021 1
184 . 1 1 24 24 TYR CA C 13 55.215 0.003 8 . . . . . . 24 TYR CA . 12021 1
185 . 1 1 25 25 TYR H H 1 10.497 0.002 11 . . . . . . 25 TYR HN . 12021 1
186 . 1 1 25 25 TYR HA H 1 4.329 0.002 4 . . . . . . 25 TYR HA . 12021 1
187 . 1 1 25 25 TYR HB2 H 1 3.337 0.002 3 . . . . . . 25 TYR HB2 . 12021 1
188 . 1 1 25 25 TYR HB3 H 1 2.651 0.004 4 . . . . . . 25 TYR HB3 . 12021 1
189 . 1 1 25 25 TYR HE1 H 1 6.762 0.000 1 . . . . . . 25 TYR QE . 12021 1
190 . 1 1 25 25 TYR HE2 H 1 6.762 0.000 1 . . . . . . 25 TYR QE . 12021 1
191 . 1 1 25 25 TYR CA C 13 59.416 0.002 4 . . . . . . 25 TYR CA . 12021 1
192 . 1 1 26 26 ASN H H 1 7.842 0.006 8 . . . . . . 26 ASN HN . 12021 1
193 . 1 1 26 26 ASN HA H 1 4.904 0.003 5 . . . . . . 26 ASN HA . 12021 1
194 . 1 1 26 26 ASN HB2 H 1 1.941 0.002 3 . . . . . . 26 ASN HB2 . 12021 1
195 . 1 1 26 26 ASN HB3 H 1 2.825 0.002 3 . . . . . . 26 ASN HB3 . 12021 1
196 . 1 1 26 26 ASN CA C 13 49.451 0.003 5 . . . . . . 26 ASN CA . 12021 1
197 . 1 1 27 27 PRO HA H 1 3.827 0.001 3 . . . . . . 27 PRO HA . 12021 1
198 . 1 1 27 27 PRO HB2 H 1 2.173 0.004 5 . . . . . . 27 PRO QB . 12021 1
199 . 1 1 27 27 PRO HB3 H 1 2.173 0.004 5 . . . . . . 27 PRO QB . 12021 1
200 . 1 1 27 27 PRO HD2 H 1 4.048 0.000 1 . . . . . . 27 PRO HD2 . 12021 1
201 . 1 1 27 27 PRO HD3 H 1 3.904 0.001 2 . . . . . . 27 PRO HD3 . 12021 1
202 . 1 1 27 27 PRO HG2 H 1 2.304 0.002 5 . . . . . . 27 PRO QG . 12021 1
203 . 1 1 27 27 PRO HG3 H 1 2.304 0.002 5 . . . . . . 27 PRO QG . 12021 1
204 . 1 1 27 27 PRO CA C 13 64.608 0.001 3 . . . . . . 27 PRO CA . 12021 1
205 . 1 1 28 28 ALA H H 1 7.840 0.000 8 . . . . . . 28 ALA HN . 12021 1
206 . 1 1 28 28 ALA HA H 1 4.075 0.001 2 . . . . . . 28 ALA HA . 12021 1
207 . 1 1 28 28 ALA HB1 H 1 1.400 0.001 3 . . . . . . 28 ALA QB . 12021 1
208 . 1 1 28 28 ALA HB2 H 1 1.400 0.001 3 . . . . . . 28 ALA QB . 12021 1
209 . 1 1 28 28 ALA HB3 H 1 1.400 0.001 3 . . . . . . 28 ALA QB . 12021 1
210 . 1 1 28 28 ALA CA C 13 54.888 0.001 2 . . . . . . 28 ALA CA . 12021 1
211 . 1 1 29 29 SER H H 1 7.254 0.004 8 . . . . . . 29 SER HN . 12021 1
212 . 1 1 29 29 SER HA H 1 4.450 0.001 2 . . . . . . 29 SER HA . 12021 1
213 . 1 1 29 29 SER HB2 H 1 3.736 0.001 2 . . . . . . 29 SER HB2 . 12021 1
214 . 1 1 29 29 SER HB3 H 1 3.649 0.000 2 . . . . . . 29 SER HB3 . 12021 1
215 . 1 1 29 29 SER CA C 13 61.851 0.001 2 . . . . . . 29 SER CA . 12021 1
216 . 1 1 30 30 ASN H H 1 7.999 0.003 7 . . . . . . 30 ASN HN . 12021 1
217 . 1 1 30 30 ASN HA H 1 4.059 0.003 4 . . . . . . 30 ASN HA . 12021 1
218 . 1 1 30 30 ASN HB2 H 1 3.331 0.002 3 . . . . . . 30 ASN HB2 . 12021 1
219 . 1 1 30 30 ASN HB3 H 1 2.508 0.002 3 . . . . . . 30 ASN HB3 . 12021 1
220 . 1 1 30 30 ASN HD21 H 1 7.715 0.001 5 . . . . . . 30 ASN HD21 . 12021 1
221 . 1 1 30 30 ASN HD22 H 1 7.164 0.001 4 . . . . . . 30 ASN HD22 . 12021 1
222 . 1 1 30 30 ASN CA C 13 53.789 0.003 4 . . . . . . 30 ASN CA . 12021 1
223 . 1 1 31 31 LYS H H 1 7.050 0.003 12 . . . . . . 31 LYS HN . 12021 1
224 . 1 1 31 31 LYS HA H 1 4.518 0.004 3 . . . . . . 31 LYS HA . 12021 1
225 . 1 1 31 31 LYS HB2 H 1 1.615 0.002 2 . . . . . . 31 LYS QB . 12021 1
226 . 1 1 31 31 LYS HB3 H 1 1.615 0.002 2 . . . . . . 31 LYS QB . 12021 1
227 . 1 1 31 31 LYS HD2 H 1 1.411 0.000 2 . . . . . . 31 LYS QD . 12021 1
228 . 1 1 31 31 LYS HD3 H 1 1.411 0.000 2 . . . . . . 31 LYS QD . 12021 1
229 . 1 1 31 31 LYS HG2 H 1 1.273 0.000 1 . . . . . . 31 LYS QG . 12021 1
230 . 1 1 31 31 LYS HG3 H 1 1.273 0.000 1 . . . . . . 31 LYS QG . 12021 1
231 . 1 1 31 31 LYS CA C 13 55.810 0.004 3 . . . . . . 31 LYS CA . 12021 1
232 . 1 1 32 32 CYS H H 1 8.762 0.002 8 . . . . . . 32 CYS HN . 12021 1
233 . 1 1 32 32 CYS HA H 1 5.443 0.003 6 . . . . . . 32 CYS HA . 12021 1
234 . 1 1 32 32 CYS HB2 H 1 2.440 0.003 4 . . . . . . 32 CYS HB2 . 12021 1
235 . 1 1 32 32 CYS HB3 H 1 3.351 0.004 3 . . . . . . 32 CYS HB3 . 12021 1
236 . 1 1 32 32 CYS CA C 13 57.999 0.003 6 . . . . . . 32 CYS CA . 12021 1
237 . 1 1 33 33 LYS H H 1 9.162 0.004 17 . . . . . . 33 LYS HN . 12021 1
238 . 1 1 33 33 LYS HA H 1 4.613 0.004 4 . . . . . . 33 LYS HA . 12021 1
239 . 1 1 33 33 LYS HB2 H 1 1.810 0.003 3 . . . . . . 33 LYS QB . 12021 1
240 . 1 1 33 33 LYS HB3 H 1 1.810 0.003 3 . . . . . . 33 LYS QB . 12021 1
241 . 1 1 33 33 LYS HD2 H 1 1.554 0.001 2 . . . . . . 33 LYS QD . 12021 1
242 . 1 1 33 33 LYS HD3 H 1 1.554 0.001 2 . . . . . . 33 LYS QD . 12021 1
243 . 1 1 33 33 LYS HG2 H 1 1.203 0.005 6 . . . . . . 33 LYS QG . 12021 1
244 . 1 1 33 33 LYS HG3 H 1 1.203 0.005 6 . . . . . . 33 LYS QG . 12021 1
245 . 1 1 33 33 LYS CA C 13 54.654 0.004 4 . . . . . . 33 LYS CA . 12021 1
246 . 1 1 34 34 GLU H H 1 8.719 0.002 9 . . . . . . 34 GLU HN . 12021 1
247 . 1 1 34 34 GLU HA H 1 4.554 0.005 5 . . . . . . 34 GLU HA . 12021 1
248 . 1 1 34 34 GLU HB2 H 1 1.822 0.002 5 . . . . . . 34 GLU QB . 12021 1
249 . 1 1 34 34 GLU HB3 H 1 1.822 0.002 5 . . . . . . 34 GLU QB . 12021 1
250 . 1 1 34 34 GLU HG2 H 1 1.946 0.003 2 . . . . . . 34 GLU QG . 12021 1
251 . 1 1 34 34 GLU HG3 H 1 1.946 0.003 2 . . . . . . 34 GLU QG . 12021 1
252 . 1 1 34 34 GLU CA C 13 53.450 0.005 5 . . . . . . 34 GLU CA . 12021 1
253 . 1 1 35 35 PHE H H 1 9.338 0.004 14 . . . . . . 35 PHE HN . 12021 1
254 . 1 1 35 35 PHE HA H 1 4.842 0.000 2 . . . . . . 35 PHE HA . 12021 1
255 . 1 1 35 35 PHE HB2 H 1 3.076 0.003 4 . . . . . . 35 PHE HB2 . 12021 1
256 . 1 1 35 35 PHE HB3 H 1 2.955 0.006 3 . . . . . . 35 PHE HB3 . 12021 1
257 . 1 1 35 35 PHE HD1 H 1 6.973 0.002 12 . . . . . . 35 PHE QD . 12021 1
258 . 1 1 35 35 PHE HD2 H 1 6.973 0.002 12 . . . . . . 35 PHE QD . 12021 1
259 . 1 1 35 35 PHE HE1 H 1 6.972 0.003 13 . . . . . . 35 PHE QE . 12021 1
260 . 1 1 35 35 PHE HE2 H 1 6.972 0.003 13 . . . . . . 35 PHE QE . 12021 1
261 . 1 1 35 35 PHE HZ H 1 6.809 0.003 8 . . . . . . 35 PHE HZ . 12021 1
262 . 1 1 35 35 PHE CA C 13 55.381 0.000 2 . . . . . . 35 PHE CA . 12021 1
263 . 1 1 36 36 ILE H H 1 8.321 0.002 7 . . . . . . 36 ILE HN . 12021 1
264 . 1 1 36 36 ILE HA H 1 3.913 0.002 5 . . . . . . 36 ILE HA . 12021 1
265 . 1 1 36 36 ILE HB H 1 1.867 0.001 3 . . . . . . 36 ILE HB . 12021 1
266 . 1 1 36 36 ILE HD11 H 1 0.334 0.004 8 . . . . . . 36 ILE QD1 . 12021 1
267 . 1 1 36 36 ILE HD12 H 1 0.334 0.004 8 . . . . . . 36 ILE QD1 . 12021 1
268 . 1 1 36 36 ILE HD13 H 1 0.334 0.004 8 . . . . . . 36 ILE QD1 . 12021 1
269 . 1 1 36 36 ILE HG12 H 1 1.154 0.007 4 . . . . . . 36 ILE HG12 . 12021 1
270 . 1 1 36 36 ILE HG13 H 1 1.260 0.003 2 . . . . . . 36 ILE HG13 . 12021 1
271 . 1 1 36 36 ILE HG21 H 1 0.371 0.003 10 . . . . . . 36 ILE QG2 . 12021 1
272 . 1 1 36 36 ILE HG22 H 1 0.371 0.003 10 . . . . . . 36 ILE QG2 . 12021 1
273 . 1 1 36 36 ILE HG23 H 1 0.371 0.003 10 . . . . . . 36 ILE QG2 . 12021 1
274 . 1 1 36 36 ILE CA C 13 58.161 0.002 5 . . . . . . 36 ILE CA . 12021 1
275 . 1 1 37 37 TYR H H 1 8.749 0.004 16 . . . . . . 37 TYR HN . 12021 1
276 . 1 1 37 37 TYR HA H 1 4.581 0.004 5 . . . . . . 37 TYR HA . 12021 1
277 . 1 1 37 37 TYR HB2 H 1 2.231 0.002 7 . . . . . . 37 TYR HB2 . 12021 1
278 . 1 1 37 37 TYR HB3 H 1 2.706 0.003 9 . . . . . . 37 TYR HB3 . 12021 1
279 . 1 1 37 37 TYR HD1 H 1 7.454 0.002 10 . . . . . . 37 TYR HD1 . 12021 1
280 . 1 1 37 37 TYR HD2 H 1 6.602 0.003 13 . . . . . . 37 TYR HD2 . 12021 1
281 . 1 1 37 37 TYR HE1 H 1 6.564 0.004 7 . . . . . . 37 TYR HE1 . 12021 1
282 . 1 1 37 37 TYR HE2 H 1 6.703 0.001 10 . . . . . . 37 TYR HE2 . 12021 1
283 . 1 1 37 37 TYR CA C 13 55.810 0.004 5 . . . . . . 37 TYR CA . 12021 1
284 . 1 1 38 38 GLY H H 1 8.466 0.003 7 . . . . . . 38 GLY HN . 12021 1
285 . 1 1 38 38 GLY HA2 H 1 3.295 0.003 2 . . . . . . 38 GLY HA2 . 12021 1
286 . 1 1 38 38 GLY HA3 H 1 4.178 0.009 3 . . . . . . 38 GLY HA3 . 12021 1
287 . 1 1 38 38 GLY CA C 13 45.620 0.003 2 . . . . . . 38 GLY CA . 12021 1
288 . 1 1 39 39 GLY HA2 H 1 2.983 0.008 5 . . . . . . 39 GLY HA2 . 12021 1
289 . 1 1 39 39 GLY HA3 H 1 4.140 0.013 6 . . . . . . 39 GLY HA3 . 12021 1
290 . 1 1 39 39 GLY CA C 13 45.440 0.008 5 . . . . . . 39 GLY CA . 12021 1
291 . 1 1 40 40 CYS H H 1 7.744 0.002 9 . . . . . . 40 CYS HN . 12021 1
292 . 1 1 40 40 CYS HA H 1 4.977 0.000 3 . . . . . . 40 CYS HA . 12021 1
293 . 1 1 40 40 CYS HB2 H 1 2.804 0.000 1 . . . . . . 40 CYS QB . 12021 1
294 . 1 1 40 40 CYS HB3 H 1 2.804 0.000 1 . . . . . . 40 CYS QB . 12021 1
295 . 1 1 40 40 CYS CA C 13 54.112 0.000 3 . . . . . . 40 CYS CA . 12021 1
296 . 1 1 41 41 GLY H H 1 9.184 0.001 4 . . . . . . 41 GLY HN . 12021 1
297 . 1 1 41 41 GLY HA2 H 1 3.815 0.007 2 . . . . . . 41 GLY HA2 . 12021 1
298 . 1 1 41 41 GLY HA3 H 1 3.986 0.004 4 . . . . . . 41 GLY HA3 . 12021 1
299 . 1 1 41 41 GLY CA C 13 45.820 0.007 2 . . . . . . 41 GLY CA . 12021 1
300 . 1 1 42 42 GLY H H 1 9.287 0.002 4 . . . . . . 42 GLY HN . 12021 1
301 . 1 1 42 42 GLY HA2 H 1 3.788 0.003 4 . . . . . . 42 GLY HA2 . 12021 1
302 . 1 1 42 42 GLY HA3 H 1 4.482 0.000 1 . . . . . . 42 GLY HA3 . 12021 1
303 . 1 1 42 42 GLY CA C 13 43.770 0.003 4 . . . . . . 42 GLY CA . 12021 1
304 . 1 1 43 43 ASN H H 1 9.274 0.003 6 . . . . . . 43 ASN HN . 12021 1
305 . 1 1 43 43 ASN HA H 1 4.811 0.004 2 . . . . . . 43 ASN HA . 12021 1
306 . 1 1 43 43 ASN HB2 H 1 2.870 0.006 4 . . . . . . 43 ASN HB2 . 12021 1
307 . 1 1 43 43 ASN HB3 H 1 3.036 0.006 6 . . . . . . 43 ASN HB3 . 12021 1
308 . 1 1 43 43 ASN HD21 H 1 8.279 0.003 9 . . . . . . 43 ASN HD21 . 12021 1
309 . 1 1 43 43 ASN HD22 H 1 8.072 0.002 10 . . . . . . 43 ASN HD22 . 12021 1
310 . 1 1 43 43 ASN CA C 13 51.611 0.004 2 . . . . . . 43 ASN CA . 12021 1
311 . 1 1 44 44 ALA H H 1 7.934 0.002 11 . . . . . . 44 ALA HN . 12021 1
312 . 1 1 44 44 ALA HA H 1 3.883 0.008 4 . . . . . . 44 ALA HA . 12021 1
313 . 1 1 44 44 ALA HB1 H 1 0.576 0.001 8 . . . . . . 44 ALA QB . 12021 1
314 . 1 1 44 44 ALA HB2 H 1 0.576 0.001 8 . . . . . . 44 ALA QB . 12021 1
315 . 1 1 44 44 ALA HB3 H 1 0.576 0.001 8 . . . . . . 44 ALA QB . 12021 1
316 . 1 1 44 44 ALA CA C 13 52.871 0.008 4 . . . . . . 44 ALA CA . 12021 1
317 . 1 1 45 45 ASN H H 1 8.321 0.003 11 . . . . . . 45 ASN HN . 12021 1
318 . 1 1 45 45 ASN HA H 1 4.814 0.003 2 . . . . . . 45 ASN HA . 12021 1
319 . 1 1 45 45 ASN HB2 H 1 3.006 0.006 4 . . . . . . 45 ASN HB2 . 12021 1
320 . 1 1 45 45 ASN HB3 H 1 3.221 0.008 7 . . . . . . 45 ASN HB3 . 12021 1
321 . 1 1 45 45 ASN HD21 H 1 7.991 0.002 6 . . . . . . 45 ASN HD21 . 12021 1
322 . 1 1 45 45 ASN HD22 H 1 7.692 0.004 9 . . . . . . 45 ASN HD22 . 12021 1
323 . 1 1 45 45 ASN CA C 13 50.685 0.003 2 . . . . . . 45 ASN CA . 12021 1
324 . 1 1 46 46 ASN H H 1 6.657 0.003 8 . . . . . . 46 ASN HN . 12021 1
325 . 1 1 46 46 ASN HA H 1 4.734 0.004 3 . . . . . . 46 ASN HA . 12021 1
326 . 1 1 46 46 ASN HB2 H 1 2.414 0.002 4 . . . . . . 46 ASN HB2 . 12021 1
327 . 1 1 46 46 ASN HB3 H 1 2.527 0.003 4 . . . . . . 46 ASN HB3 . 12021 1
328 . 1 1 46 46 ASN CA C 13 53.439 0.004 3 . . . . . . 46 ASN CA . 12021 1
329 . 1 1 47 47 PHE H H 1 9.757 0.002 11 . . . . . . 47 PHE HN . 12021 1
330 . 1 1 47 47 PHE HA H 1 4.996 0.001 3 . . . . . . 47 PHE HA . 12021 1
331 . 1 1 47 47 PHE HB2 H 1 2.688 0.008 5 . . . . . . 47 PHE HB2 . 12021 1
332 . 1 1 47 47 PHE HB3 H 1 3.240 0.002 5 . . . . . . 47 PHE HB3 . 12021 1
333 . 1 1 47 47 PHE HD1 H 1 7.275 0.004 9 . . . . . . 47 PHE QD . 12021 1
334 . 1 1 47 47 PHE HD2 H 1 7.275 0.004 9 . . . . . . 47 PHE QD . 12021 1
335 . 1 1 47 47 PHE HE1 H 1 7.273 0.003 5 . . . . . . 47 PHE QE . 12021 1
336 . 1 1 47 47 PHE HE2 H 1 7.273 0.003 5 . . . . . . 47 PHE QE . 12021 1
337 . 1 1 47 47 PHE HZ H 1 7.553 0.002 6 . . . . . . 47 PHE HZ . 12021 1
338 . 1 1 47 47 PHE CA C 13 55.863 0.001 3 . . . . . . 47 PHE CA . 12021 1
339 . 1 1 48 48 GLU H H 1 9.704 0.001 9 . . . . . . 48 GLU HN . 12021 1
340 . 1 1 48 48 GLU HA H 1 4.174 0.002 3 . . . . . . 48 GLU HA . 12021 1
341 . 1 1 48 48 GLU HB2 H 1 2.239 0.006 4 . . . . . . 48 GLU QB . 12021 1
342 . 1 1 48 48 GLU HB3 H 1 2.239 0.006 4 . . . . . . 48 GLU QB . 12021 1
343 . 1 1 48 48 GLU HG2 H 1 2.448 0.000 1 . . . . . . 48 GLU QG . 12021 1
344 . 1 1 48 48 GLU HG3 H 1 2.448 0.000 1 . . . . . . 48 GLU QG . 12021 1
345 . 1 1 48 48 GLU CA C 13 59.437 0.002 3 . . . . . . 48 GLU CA . 12021 1
346 . 1 1 49 49 THR H H 1 7.312 0.008 7 . . . . . . 49 THR HN . 12021 1
347 . 1 1 49 49 THR HA H 1 4.741 0.002 4 . . . . . . 49 THR HA . 12021 1
348 . 1 1 49 49 THR HB H 1 4.366 0.004 4 . . . . . . 49 THR HB . 12021 1
349 . 1 1 49 49 THR HG21 H 1 1.221 0.005 4 . . . . . . 49 THR QG2 . 12021 1
350 . 1 1 49 49 THR HG22 H 1 1.221 0.005 4 . . . . . . 49 THR QG2 . 12021 1
351 . 1 1 49 49 THR HG23 H 1 1.221 0.005 4 . . . . . . 49 THR QG2 . 12021 1
352 . 1 1 50 50 ARG H H 1 8.131 0.002 7 . . . . . . 50 ARG HN . 12021 1
353 . 1 1 50 50 ARG HA H 1 2.769 0.003 6 . . . . . . 50 ARG HA . 12021 1
354 . 1 1 50 50 ARG HB2 H 1 1.058 0.006 4 . . . . . . 50 ARG HB2 . 12021 1
355 . 1 1 50 50 ARG HB3 H 1 1.216 0.002 2 . . . . . . 50 ARG HB3 . 12021 1
356 . 1 1 50 50 ARG HD2 H 1 3.092 0.002 3 . . . . . . 50 ARG HD2 . 12021 1
357 . 1 1 50 50 ARG HD3 H 1 2.988 0.007 5 . . . . . . 50 ARG HD3 . 12021 1
358 . 1 1 50 50 ARG HG2 H 1 0.703 0.008 6 . . . . . . 50 ARG HG2 . 12021 1
359 . 1 1 50 50 ARG HG3 H 1 0.906 0.001 4 . . . . . . 50 ARG HG3 . 12021 1
360 . 1 1 50 50 ARG CA C 13 59.469 0.003 6 . . . . . . 50 ARG CA . 12021 1
361 . 1 1 51 51 ALA H H 1 8.335 0.003 9 . . . . . . 51 ALA HN . 12021 1
362 . 1 1 51 51 ALA HA H 1 3.755 0.001 5 . . . . . . 51 ALA HA . 12021 1
363 . 1 1 51 51 ALA HB1 H 1 1.252 0.000 3 . . . . . . 51 ALA QB . 12021 1
364 . 1 1 51 51 ALA HB2 H 1 1.252 0.000 3 . . . . . . 51 ALA QB . 12021 1
365 . 1 1 51 51 ALA HB3 H 1 1.252 0.000 3 . . . . . . 51 ALA QB . 12021 1
366 . 1 1 51 51 ALA CA C 13 55.179 0.001 5 . . . . . . 51 ALA CA . 12021 1
367 . 1 1 52 52 GLU H H 1 7.725 0.002 10 . . . . . . 52 GLU HN . 12021 1
368 . 1 1 52 52 GLU HA H 1 3.979 0.001 4 . . . . . . 52 GLU HA . 12021 1
369 . 1 1 52 52 GLU HB2 H 1 2.085 0.005 5 . . . . . . 52 GLU QB . 12021 1
370 . 1 1 52 52 GLU HB3 H 1 2.085 0.005 5 . . . . . . 52 GLU QB . 12021 1
371 . 1 1 52 52 GLU HG2 H 1 2.370 0.005 3 . . . . . . 52 GLU QG . 12021 1
372 . 1 1 52 52 GLU HG3 H 1 2.370 0.005 3 . . . . . . 52 GLU QG . 12021 1
373 . 1 1 52 52 GLU CA C 13 58.749 0.001 4 . . . . . . 52 GLU CA . 12021 1
374 . 1 1 53 53 CYS H H 1 6.919 0.004 8 . . . . . . 53 CYS HN . 12021 1
375 . 1 1 53 53 CYS HA H 1 1.799 0.006 7 . . . . . . 53 CYS HA . 12021 1
376 . 1 1 53 53 CYS HB2 H 1 2.716 0.002 2 . . . . . . 53 CYS HB2 . 12021 1
377 . 1 1 53 53 CYS HB3 H 1 2.988 0.004 3 . . . . . . 53 CYS HB3 . 12021 1
378 . 1 1 53 53 CYS CA C 13 59.022 0.006 7 . . . . . . 53 CYS CA . 12021 1
379 . 1 1 54 54 ARG H H 1 8.572 0.004 13 . . . . . . 54 ARG HN . 12021 1
380 . 1 1 54 54 ARG HA H 1 3.582 0.002 5 . . . . . . 54 ARG HA . 12021 1
381 . 1 1 54 54 ARG HB2 H 1 1.634 0.005 4 . . . . . . 54 ARG HB2 . 12021 1
382 . 1 1 54 54 ARG HB3 H 1 1.713 0.003 2 . . . . . . 54 ARG HB3 . 12021 1
383 . 1 1 54 54 ARG HD2 H 1 3.051 0.001 2 . . . . . . 54 ARG QD . 12021 1
384 . 1 1 54 54 ARG HD3 H 1 3.051 0.001 2 . . . . . . 54 ARG QD . 12021 1
385 . 1 1 54 54 ARG HG2 H 1 1.365 0.000 1 . . . . . . 54 ARG QG . 12021 1
386 . 1 1 54 54 ARG HG3 H 1 1.365 0.000 1 . . . . . . 54 ARG QG . 12021 1
387 . 1 1 54 54 ARG CA C 13 59.171 0.002 5 . . . . . . 54 ARG CA . 12021 1
388 . 1 1 55 55 HIS H H 1 8.063 0.002 9 . . . . . . 55 HIS HN . 12021 1
389 . 1 1 55 55 HIS HA H 1 4.254 0.002 3 . . . . . . 55 HIS HA . 12021 1
390 . 1 1 55 55 HIS HB2 H 1 3.183 0.001 3 . . . . . . 55 HIS QB . 12021 1
391 . 1 1 55 55 HIS HB3 H 1 3.183 0.001 3 . . . . . . 55 HIS QB . 12021 1
392 . 1 1 55 55 HIS HD2 H 1 8.384 0.005 2 . . . . . . 55 HIS HD2 . 12021 1
393 . 1 1 55 55 HIS HE1 H 1 7.183 0.001 3 . . . . . . 55 HIS HE1 . 12021 1
394 . 1 1 55 55 HIS CA C 13 58.051 0.002 3 . . . . . . 55 HIS CA . 12021 1
395 . 1 1 56 56 THR H H 1 7.972 0.004 8 . . . . . . 56 THR HN . 12021 1
396 . 1 1 56 56 THR HA H 1 3.835 0.001 3 . . . . . . 56 THR HA . 12021 1
397 . 1 1 56 56 THR HB H 1 3.918 0.002 4 . . . . . . 56 THR HB . 12021 1
398 . 1 1 56 56 THR HG21 H 1 1.502 0.002 6 . . . . . . 56 THR QG2 . 12021 1
399 . 1 1 56 56 THR HG22 H 1 1.502 0.002 6 . . . . . . 56 THR QG2 . 12021 1
400 . 1 1 56 56 THR HG23 H 1 1.502 0.002 6 . . . . . . 56 THR QG2 . 12021 1
401 . 1 1 56 56 THR CA C 13 66.080 0.001 3 . . . . . . 56 THR CA . 12021 1
402 . 1 1 57 57 CYS H H 1 7.894 0.002 10 . . . . . . 57 CYS HN . 12021 1
403 . 1 1 57 57 CYS HA H 1 4.522 0.001 3 . . . . . . 57 CYS HA . 12021 1
404 . 1 1 57 57 CYS HB2 H 1 1.810 0.004 3 . . . . . . 57 CYS HB2 . 12021 1
405 . 1 1 57 57 CYS HB3 H 1 2.093 0.002 5 . . . . . . 57 CYS HB3 . 12021 1
406 . 1 1 57 57 CYS CA C 13 57.164 0.001 3 . . . . . . 57 CYS CA . 12021 1
407 . 1 1 58 58 VAL H H 1 7.284 0.003 8 . . . . . . 58 VAL HN . 12021 1
408 . 1 1 58 58 VAL HA H 1 3.572 0.004 3 . . . . . . 58 VAL HA . 12021 1
409 . 1 1 58 58 VAL HB H 1 2.166 0.005 5 . . . . . . 58 VAL HB . 12021 1
410 . 1 1 58 58 VAL HG11 H 1 0.856 0.002 6 . . . . . . 58 VAL QG1 . 12021 1
411 . 1 1 58 58 VAL HG12 H 1 0.856 0.002 6 . . . . . . 58 VAL QG1 . 12021 1
412 . 1 1 58 58 VAL HG13 H 1 0.856 0.002 6 . . . . . . 58 VAL QG1 . 12021 1
413 . 1 1 58 58 VAL HG21 H 1 0.786 0.002 6 . . . . . . 58 VAL QG2 . 12021 1
414 . 1 1 58 58 VAL HG22 H 1 0.786 0.002 6 . . . . . . 58 VAL QG2 . 12021 1
415 . 1 1 58 58 VAL HG23 H 1 0.786 0.002 6 . . . . . . 58 VAL QG2 . 12021 1
416 . 1 1 58 58 VAL CA C 13 60.159 0.004 3 . . . . . . 58 VAL CA . 12021 1
417 . 1 1 59 59 ALA H H 1 8.109 0.003 6 . . . . . . 59 ALA HN . 12021 1
418 . 1 1 59 59 ALA HA H 1 4.361 0.004 2 . . . . . . 59 ALA HA . 12021 1
419 . 1 1 59 59 ALA HB1 H 1 1.245 0.006 3 . . . . . . 59 ALA QB . 12021 1
420 . 1 1 59 59 ALA HB2 H 1 1.245 0.006 3 . . . . . . 59 ALA QB . 12021 1
421 . 1 1 59 59 ALA HB3 H 1 1.245 0.006 3 . . . . . . 59 ALA QB . 12021 1
422 . 1 1 59 59 ALA CA C 13 51.842 0.004 2 . . . . . . 59 ALA CA . 12021 1
423 . 1 1 60 60 SER H H 1 8.134 0.007 3 . . . . . . 60 SER HN . 12021 1
424 . 1 1 60 60 SER HA H 1 4.337 0.002 3 . . . . . . 60 SER HA . 12021 1
425 . 1 1 60 60 SER HB2 H 1 3.750 0.004 2 . . . . . . 60 SER HB2 . 12021 1
426 . 1 1 60 60 SER HB3 H 1 3.806 0.001 2 . . . . . . 60 SER HB3 . 12021 1
427 . 1 1 60 60 SER CA C 13 58.608 0.002 3 . . . . . . 60 SER CA . 12021 1
428 . 1 1 61 61 ARG H H 1 8.393 0.005 10 . . . . . . 61 ARG HN . 12021 1
429 . 1 1 61 61 ARG HA H 1 4.305 0.005 3 . . . . . . 61 ARG HA . 12021 1
430 . 1 1 61 61 ARG HB2 H 1 1.676 0.000 1 . . . . . . 61 ARG HB2 . 12021 1
431 . 1 1 61 61 ARG HB3 H 1 1.783 0.000 1 . . . . . . 61 ARG HB3 . 12021 1
432 . 1 1 61 61 ARG HD2 H 1 3.107 0.000 1 . . . . . . 61 ARG QD . 12021 1
433 . 1 1 61 61 ARG HD3 H 1 3.107 0.000 1 . . . . . . 61 ARG QD . 12021 1
434 . 1 1 61 61 ARG HG2 H 1 1.551 0.001 2 . . . . . . 61 ARG QG . 12021 1
435 . 1 1 61 61 ARG HG3 H 1 1.551 0.001 2 . . . . . . 61 ARG QG . 12021 1
436 . 1 1 61 61 ARG CA C 13 55.926 0.005 3 . . . . . . 61 ARG CA . 12021 1
437 . 1 1 62 62 LYS H H 1 8.456 0.005 7 . . . . . . 62 LYS HN . 12021 1
438 . 1 1 62 62 LYS HA H 1 4.253 0.000 1 . . . . . . 62 LYS HA . 12021 1
439 . 1 1 62 62 LYS HB2 H 1 1.788 0.000 1 . . . . . . 62 LYS QB . 12021 1
440 . 1 1 62 62 LYS HB3 H 1 1.788 0.000 1 . . . . . . 62 LYS QB . 12021 1
441 . 1 1 62 62 LYS HD2 H 1 1.689 0.000 1 . . . . . . 62 LYS QD . 12021 1
442 . 1 1 62 62 LYS HD3 H 1 1.689 0.000 1 . . . . . . 62 LYS QD . 12021 1
443 . 1 1 62 62 LYS HG2 H 1 1.392 0.000 1 . . . . . . 62 LYS QG . 12021 1
444 . 1 1 62 62 LYS HG3 H 1 1.392 0.000 1 . . . . . . 62 LYS QG . 12021 1
445 . 1 1 62 62 LYS CA C 13 56.509 0.000 1 . . . . . . 62 LYS CA . 12021 1
446 . 1 1 63 63 GLY H H 1 8.472 0.000 1 . . . . . . 63 GLY HN . 12021 1
447 . 1 1 63 63 GLY HA2 H 1 3.942 0.001 2 . . . . . . 63 GLY QA . 12021 1
448 . 1 1 63 63 GLY HA3 H 1 3.942 0.001 2 . . . . . . 63 GLY QA . 12021 1
449 . 1 1 63 63 GLY CA C 13 44.938 0.001 2 . . . . . . 63 GLY CA . 12021 1
450 . 1 1 64 64 GLY H H 1 8.164 0.000 1 . . . . . . 64 GLY HN . 12021 1
451 . 1 1 64 64 GLY HA2 H 1 4.029 0.005 2 . . . . . . 64 GLY HA2 . 12021 1
452 . 1 1 64 64 GLY HA3 H 1 4.082 0.002 2 . . . . . . 64 GLY HA3 . 12021 1
453 . 1 1 64 64 GLY CA C 13 44.366 0.005 2 . . . . . . 64 GLY CA . 12021 1
454 . 1 1 65 65 PRO HA H 1 4.381 0.005 5 . . . . . . 65 PRO HA . 12021 1
455 . 1 1 65 65 PRO HB2 H 1 1.839 0.000 1 . . . . . . 65 PRO HB2 . 12021 1
456 . 1 1 65 65 PRO HB3 H 1 2.243 0.005 2 . . . . . . 65 PRO HB3 . 12021 1
457 . 1 1 65 65 PRO HD2 H 1 3.554 0.001 3 . . . . . . 65 PRO QD . 12021 1
458 . 1 1 65 65 PRO HD3 H 1 3.554 0.001 3 . . . . . . 65 PRO QD . 12021 1
459 . 1 1 65 65 PRO HG2 H 1 1.941 0.000 1 . . . . . . 65 PRO QG . 12021 1
460 . 1 1 65 65 PRO HG3 H 1 1.941 0.000 1 . . . . . . 65 PRO QG . 12021 1
461 . 1 1 66 66 ARG H H 1 8.434 0.008 5 . . . . . . 66 ARG HN . 12021 1
462 . 1 1 66 66 ARG HA H 1 4.543 0.002 2 . . . . . . 66 ARG HA . 12021 1
463 . 1 1 66 66 ARG HB2 H 1 1.778 0.000 1 . . . . . . 66 ARG QB . 12021 1
464 . 1 1 66 66 ARG HB3 H 1 1.778 0.000 1 . . . . . . 66 ARG QB . 12021 1
465 . 1 1 66 66 ARG HD2 H 1 3.154 0.000 1 . . . . . . 66 ARG QD . 12021 1
466 . 1 1 66 66 ARG HD3 H 1 3.154 0.000 1 . . . . . . 66 ARG QD . 12021 1
467 . 1 1 66 66 ARG HG2 H 1 1.672 0.000 1 . . . . . . 66 ARG QG . 12021 1
468 . 1 1 66 66 ARG HG3 H 1 1.672 0.000 1 . . . . . . 66 ARG QG . 12021 1
469 . 1 1 66 66 ARG CA C 13 54.020 0.002 2 . . . . . . 66 ARG CA . 12021 1
470 . 1 1 67 67 ARG H H 1 7.936 0.000 1 . . . . . . 67 ARG HN . 12021 1
471 . 1 1 67 67 ARG CA C 13 57.465 0.000 1 . . . . . . 67 ARG CA . 12021 1
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