Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 53704
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Shifts
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_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
2 '2D 1H-1H TOCSY' . . . 53704 1
3 '2D 1H-13C HSQC-TOCSY' . . . 53704 1
4 '2D 1H-1H NOESY' . . . 53704 1
5 '2D 1H-13C HSQC' . . . 53704 1
6 '2D 1H-1H NOESY' . . . 53704 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
2 $software_2 . . 53704 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 HIS HA H 1 4.254 0.009 . 1 . . . . . 1 His HA . 53704 1
2 . 1 . 1 1 1 HIS HB2 H 1 3.262 0.002 . 1 . . . . . 1 His HB2 . 53704 1
3 . 1 . 1 1 1 HIS HD1 H 1 7.207 0.001 . 1 . . . . . 1 His HD1 . 53704 1
4 . 1 . 1 1 1 HIS HE1 H 1 8.106 0.000 . 1 . . . . . 1 His HE1 . 53704 1
5 . 1 . 1 1 1 HIS CA C 13 56.120 0.022 . 1 . . . . . 1 His CA . 53704 1
6 . 1 . 1 1 1 HIS CB C 13 31.473 0.040 . 1 . . . . . 1 His CB . 53704 1
7 . 1 . 1 1 1 HIS CD2 C 13 120.339 0.000 . 1 . . . . . 1 His CD2 . 53704 1
8 . 1 . 1 1 1 HIS CE1 C 13 138.373 0.000 . 1 . . . . . 1 His CE1 . 53704 1
9 . 1 . 1 2 2 SER H H 1 8.180 0.000 . 1 . . . . . 2 Ser H . 53704 1
10 . 1 . 1 2 2 SER HA H 1 4.565 0.002 . 1 . . . . . 2 Ser HA . 53704 1
11 . 1 . 1 2 2 SER HB2 H 1 3.921 0.005 . 1 . . . . . 2 Ser HB2 . 53704 1
12 . 1 . 1 2 2 SER CA C 13 58.528 0.013 . 1 . . . . . 2 Ser CA . 53704 1
13 . 1 . 1 2 2 SER CB C 13 63.962 0.009 . 1 . . . . . 2 Ser CB . 53704 1
14 . 1 . 1 3 3 GLN H H 1 8.761 0.004 . 1 . . . . . 3 Gln H . 53704 1
15 . 1 . 1 3 3 GLN HA H 1 4.449 0.002 . 1 . . . . . 3 Gln HA . 53704 1
16 . 1 . 1 3 3 GLN HB2 H 1 2.433 0.003 . 1 . . . . . 3 Gln HB2 . 53704 1
17 . 1 . 1 3 3 GLN HG2 H 1 2.211 0.003 . 2 . . . . . 3 Gln HG2 . 53704 1
18 . 1 . 1 3 3 GLN HG3 H 1 2.073 0.001 . 2 . . . . . 3 Gln HG3 . 53704 1
19 . 1 . 1 3 3 GLN HE21 H 1 7.522 0.001 . 1 . . . . . 3 Gln HE21 . 53704 1
20 . 1 . 1 3 3 GLN HE22 H 1 6.847 0.000 . 1 . . . . . 3 Gln HE22 . 53704 1
21 . 1 . 1 3 3 GLN CA C 13 56.362 0.037 . 1 . . . . . 3 Gln CA . 53704 1
22 . 1 . 1 3 3 GLN CB C 13 29.608 0.018 . 1 . . . . . 3 Gln CB . 53704 1
23 . 1 . 1 3 3 GLN CG C 13 34.023 0.027 . 1 . . . . . 3 Gln CG . 53704 1
24 . 1 . 1 3 3 GLN NE2 N 15 112.005 0.020 . 1 . . . . . 3 Gln NE2 . 53704 1
25 . 1 . 1 4 4 GLY H H 1 8.489 0.002 . 1 . . . . . 4 Gly H . 53704 1
26 . 1 . 1 4 4 GLY HA2 H 1 4.035 0.003 . 1 . . . . . 4 Gly HA2 . 53704 1
27 . 1 . 1 4 4 GLY CA C 13 45.516 0.051 . 1 . . . . . 4 Gly CA . 53704 1
28 . 1 . 1 5 5 THR H H 1 7.996 0.001 . 1 . . . . . 5 Thr H . 53704 1
29 . 1 . 1 5 5 THR HA H 1 4.361 0.002 . 1 . . . . . 5 Thr HA . 53704 1
30 . 1 . 1 5 5 THR HB H 1 4.173 0.003 . 1 . . . . . 5 Thr HB . 53704 1
31 . 1 . 1 5 5 THR HG1 H 1 1.127 0.002 . 1 . . . . . 5 Thr HG1 . 53704 1
32 . 1 . 1 5 5 THR CA C 13 62.059 0.045 . 1 . . . . . 5 Thr CA . 53704 1
33 . 1 . 1 5 5 THR CB C 13 70.031 0.034 . 1 . . . . . 5 Thr CB . 53704 1
34 . 1 . 1 5 5 THR CG2 C 13 21.721 0.010 . 1 . . . . . 5 Thr CG2 . 53704 1
35 . 1 . 1 5 5 THR N N 15 113.701 0.000 . 1 . . . . . 5 Thr N . 53704 1
36 . 1 . 1 6 6 PHE H H 1 8.375 0.001 . 1 . . . . . 6 Phe H . 53704 1
37 . 1 . 1 6 6 PHE HA H 1 4.727 0.001 . 1 . . . . . 6 Phe HA . 53704 1
38 . 1 . 1 6 6 PHE HB2 H 1 3.182 0.003 . 1 . . . . . 6 Phe HB2 . 53704 1
39 . 1 . 1 6 6 PHE HB3 H 1 3.044 0.003 . 1 . . . . . 6 Phe HB3 . 53704 1
40 . 1 . 1 6 6 PHE HD1 H 1 7.225 0.003 . 1 . . . . . 6 Phe HD1 . 53704 1
41 . 1 . 1 6 6 PHE HD2 H 1 7.225 0.003 . 1 . . . . . 6 Phe HD2 . 53704 1
42 . 1 . 1 6 6 PHE HE1 H 1 7.253 0.000 . 1 . . . . . 6 Phe HE1 . 53704 1
43 . 1 . 1 6 6 PHE HE2 H 1 7.253 0.000 . 1 . . . . . 6 Phe HE2 . 53704 1
44 . 1 . 1 6 6 PHE HZ H 1 7.197 0.000 . 1 . . . . . 6 Phe HZ . 53704 1
45 . 1 . 1 6 6 PHE CA C 13 58.198 0.021 . 1 . . . . . 6 Phe CA . 53704 1
46 . 1 . 1 6 6 PHE CB C 13 39.802 0.004 . 1 . . . . . 6 Phe CB . 53704 1
47 . 1 . 1 6 6 PHE CD1 C 13 131.971 0.000 . 1 . . . . . 6 Phe CD1 . 53704 1
48 . 1 . 1 6 6 PHE CD2 C 13 131.971 0.000 . 1 . . . . . 6 Phe CD2 . 53704 1
49 . 1 . 1 6 6 PHE CE1 C 13 131.283 0.000 . 1 . . . . . 6 Phe CE1 . 53704 1
50 . 1 . 1 6 6 PHE CE2 C 13 131.283 0.000 . 1 . . . . . 6 Phe CE2 . 53704 1
51 . 1 . 1 6 6 PHE CZ C 13 129.648 0.000 . 1 . . . . . 6 Phe CZ . 53704 1
52 . 1 . 1 7 7 THR H H 1 8.131 0.001 . 1 . . . . . 7 Thr H . 53704 1
53 . 1 . 1 7 7 THR HA H 1 4.357 0.002 . 1 . . . . . 7 Thr HA . 53704 1
54 . 1 . 1 7 7 THR HB H 1 4.290 0.003 . 1 . . . . . 7 Thr HB . 53704 1
55 . 1 . 1 7 7 THR HG1 H 1 1.215 0.005 . 1 . . . . . 7 Thr HG1 . 53704 1
56 . 1 . 1 7 7 THR CA C 13 62.151 0.020 . 1 . . . . . 7 Thr CA . 53704 1
57 . 1 . 1 7 7 THR CB C 13 69.803 0.023 . 1 . . . . . 7 Thr CB . 53704 1
58 . 1 . 1 7 7 THR CG2 C 13 21.787 0.035 . 1 . . . . . 7 Thr CG2 . 53704 1
59 . 1 . 1 8 8 SER H H 1 8.175 0.001 . 1 . . . . . 8 Ser H . 53704 1
60 . 1 . 1 8 8 SER HA H 1 4.490 0.004 . 1 . . . . . 8 Ser HA . 53704 1
61 . 1 . 1 8 8 SER HB2 H 1 3.947 0.014 . 2 . . . . . 8 Ser HB2 . 53704 1
62 . 1 . 1 8 8 SER HB3 H 1 3.904 0.001 . 2 . . . . . 8 Ser HB3 . 53704 1
63 . 1 . 1 8 8 SER CA C 13 59.080 0.059 . 1 . . . . . 8 Ser CA . 53704 1
64 . 1 . 1 8 8 SER CB C 13 63.961 0.002 . 1 . . . . . 8 Ser CB . 53704 1
65 . 1 . 1 9 9 ASP H H 1 8.367 0.001 . 1 . . . . . 9 Asp H . 53704 1
66 . 1 . 1 9 9 ASP HA H 1 4.709 0.007 . 1 . . . . . 9 Asp HA . 53704 1
67 . 1 . 1 9 9 ASP HB2 H 1 2.801 0.003 . 1 . . . . . 9 Asp HB2 . 53704 1
68 . 1 . 1 9 9 ASP HB3 H 1 2.743 0.004 . 1 . . . . . 9 Asp HB3 . 53704 1
69 . 1 . 1 9 9 ASP CA C 13 54.828 0.042 . 1 . . . . . 9 Asp CA . 53704 1
70 . 1 . 1 9 9 ASP CB C 13 41.593 0.000 . 1 . . . . . 9 Asp CB . 53704 1
71 . 1 . 1 10 10 LYS H H 1 8.305 0.001 . 1 . . . . . 10 Lys H . 53704 1
72 . 1 . 1 10 10 LYS HA H 1 4.183 0.004 . 1 . . . . . 10 Lys HA . 53704 1
73 . 1 . 1 10 10 LYS HB2 H 1 1.821 0.001 . 2 . . . . . 10 Lys HB2 . 53704 1
74 . 1 . 1 10 10 LYS HB3 H 1 1.735 0.003 . 2 . . . . . 10 Lys HB3 . 53704 1
75 . 1 . 1 10 10 LYS HG2 H 1 1.373 0.006 . 1 . . . . . 10 Lys HG2 . 53704 1
76 . 1 . 1 10 10 LYS HD2 H 1 1.735 0.001 . 2 . . . . . 10 Lys HD2 . 53704 1
77 . 1 . 1 10 10 LYS HD3 H 1 1.630 0.000 . 2 . . . . . 10 Lys HD3 . 53704 1
78 . 1 . 1 10 10 LYS CA C 13 57.924 0.042 . 1 . . . . . 10 Lys CA . 53704 1
79 . 1 . 1 10 10 LYS CB C 13 32.718 0.003 . 1 . . . . . 10 Lys CB . 53704 1
80 . 1 . 1 10 10 LYS CG C 13 25.411 0.000 . 1 . . . . . 10 Lys CG . 53704 1
81 . 1 . 1 10 10 LYS CD C 13 27.565 0.001 . 1 . . . . . 10 Lys CD . 53704 1
82 . 1 . 1 11 11 SER H H 1 8.277 0.002 . 1 . . . . . 11 Ser H . 53704 1
83 . 1 . 1 11 11 SER HA H 1 4.200 0.005 . 1 . . . . . 11 Ser HA . 53704 1
84 . 1 . 1 11 11 SER HB2 H 1 3.979 0.004 . 2 . . . . . 11 Ser HB2 . 53704 1
85 . 1 . 1 11 11 SER HB3 H 1 3.936 0.001 . 2 . . . . . 11 Ser HB3 . 53704 1
86 . 1 . 1 11 11 SER CA C 13 61.026 0.077 . 1 . . . . . 11 Ser CA . 53704 1
87 . 1 . 1 11 11 SER CB C 13 63.266 0.036 . 1 . . . . . 11 Ser CB . 53704 1
88 . 1 . 1 12 12 GLU H H 1 8.150 0.001 . 1 . . . . . 12 Glu H . 53704 1
89 . 1 . 1 12 12 GLU HA H 1 4.211 0.006 . 1 . . . . . 12 Glu HA . 53704 1
90 . 1 . 1 12 12 GLU HB2 H 1 1.960 0.003 . 1 . . . . . 12 Glu HB2 . 53704 1
91 . 1 . 1 12 12 GLU HG2 H 1 2.191 0.000 . 1 . . . . . 12 Glu HG2 . 53704 1
92 . 1 . 1 12 12 GLU CA C 13 57.706 0.000 . 1 . . . . . 12 Glu CA . 53704 1
93 . 1 . 1 12 12 GLU CB C 13 29.745 0.000 . 1 . . . . . 12 Glu CB . 53704 1
94 . 1 . 1 13 13 TYR H H 1 7.775 0.002 . 1 . . . . . 13 Tyr H . 53704 1
95 . 1 . 1 13 13 TYR HA H 1 4.483 0.005 . 1 . . . . . 13 Tyr HA . 53704 1
96 . 1 . 1 13 13 TYR HB2 H 1 2.945 0.003 . 1 . . . . . 13 Tyr HB2 . 53704 1
97 . 1 . 1 13 13 TYR HB3 H 1 3.076 0.003 . 1 . . . . . 13 Tyr HB3 . 53704 1
98 . 1 . 1 13 13 TYR HD1 H 1 7.048 0.004 . 1 . . . . . 13 Tyr HD1 . 53704 1
99 . 1 . 1 13 13 TYR HD2 H 1 7.048 0.004 . 1 . . . . . 13 Tyr HD2 . 53704 1
100 . 1 . 1 13 13 TYR HE1 H 1 6.795 0.001 . 1 . . . . . 13 Tyr HE1 . 53704 1
101 . 1 . 1 13 13 TYR HE2 H 1 6.795 0.001 . 1 . . . . . 13 Tyr HE2 . 53704 1
102 . 1 . 1 13 13 TYR CA C 13 59.295 0.008 . 1 . . . . . 13 Tyr CA . 53704 1
103 . 1 . 1 13 13 TYR CB C 13 39.043 0.029 . 1 . . . . . 13 Tyr CB . 53704 1
104 . 1 . 1 13 13 TYR CD1 C 13 132.850 0.071 . 1 . . . . . 13 Tyr CD1 . 53704 1
105 . 1 . 1 13 13 TYR CD2 C 13 132.850 0.071 . 1 . . . . . 13 Tyr CD2 . 53704 1
106 . 1 . 1 13 13 TYR CE1 C 13 118.418 0.000 . 1 . . . . . 13 Tyr CE1 . 53704 1
107 . 1 . 1 13 13 TYR CE2 C 13 118.418 0.000 . 1 . . . . . 13 Tyr CE2 . 53704 1
108 . 1 . 1 13 13 TYR N N 15 117.737 0.000 . 1 . . . . . 13 Tyr N . 53704 1
109 . 1 . 1 14 14 LEU H H 1 7.790 0.002 . 1 . . . . . 14 Leu H . 53704 1
110 . 1 . 1 14 14 LEU HA H 1 4.288 0.002 . 1 . . . . . 14 Leu HA . 53704 1
111 . 1 . 1 14 14 LEU HB2 H 1 1.710 0.003 . 2 . . . . . 14 Leu HB2 . 53704 1
112 . 1 . 1 14 14 LEU HB3 H 1 1.607 0.001 . 2 . . . . . 14 Leu HB3 . 53704 1
113 . 1 . 1 14 14 LEU HG H 1 1.705 0.002 . 1 . . . . . 14 Leu HG . 53704 1
114 . 1 . 1 14 14 LEU HD11 H 1 0.896 0.015 . 2 . . . . . 14 Leu HD11 . 53704 1
115 . 1 . 1 14 14 LEU HD12 H 1 0.896 0.015 . 2 . . . . . 14 Leu HD12 . 53704 1
116 . 1 . 1 14 14 LEU HD13 H 1 0.896 0.015 . 2 . . . . . 14 Leu HD13 . 53704 1
117 . 1 . 1 14 14 LEU HD21 H 1 0.859 0.004 . 2 . . . . . 14 Leu HD21 . 53704 1
118 . 1 . 1 14 14 LEU HD22 H 1 0.859 0.004 . 2 . . . . . 14 Leu HD22 . 53704 1
119 . 1 . 1 14 14 LEU HD23 H 1 0.859 0.004 . 2 . . . . . 14 Leu HD23 . 53704 1
120 . 1 . 1 14 14 LEU CA C 13 55.429 0.033 . 1 . . . . . 14 Leu CA . 53704 1
121 . 1 . 1 14 14 LEU CB C 13 42.195 0.005 . 1 . . . . . 14 Leu CB . 53704 1
122 . 1 . 1 14 14 LEU CG C 13 27.065 0.030 . 1 . . . . . 14 Leu CG . 53704 1
123 . 1 . 1 14 14 LEU CD1 C 13 25.584 0.000 . 2 . . . . . 14 Leu CD1 . 53704 1
124 . 1 . 1 14 14 LEU CD2 C 13 23.796 0.000 . 2 . . . . . 14 Leu CD2 . 53704 1
125 . 1 . 1 14 14 LEU N N 15 119.074 0.000 . 1 . . . . . 14 Leu N . 53704 1
126 . 1 . 1 15 15 ASP H H 1 7.880 0.001 . 1 . . . . . 15 Asp H . 53704 1
127 . 1 . 1 15 15 ASP HA H 1 4.767 0.003 . 1 . . . . . 15 Asp HA . 53704 1
128 . 1 . 1 15 15 ASP HB2 H 1 2.742 0.006 . 1 . . . . . 15 Asp HB2 . 53704 1
129 . 1 . 1 15 15 ASP HB3 H 1 2.813 0.005 . 1 . . . . . 15 Asp HB3 . 53704 1
130 . 1 . 1 15 15 ASP CA C 13 54.126 0.000 . 1 . . . . . 15 Asp CA . 53704 1
131 . 1 . 1 15 15 ASP CB C 13 41.390 0.001 . 1 . . . . . 15 Asp CB . 53704 1
132 . 1 . 1 16 16 SER HA H 1 4.390 0.001 . 1 . . . . . 16 Ser HA . 53704 1
133 . 1 . 1 16 16 SER HB2 H 1 4.114 0.001 . 2 . . . . . 16 Ser HB2 . 53704 1
134 . 1 . 1 16 16 SER HB3 H 1 3.982 0.002 . 2 . . . . . 16 Ser HB3 . 53704 1
135 . 1 . 1 16 16 SER CA C 13 59.424 0.016 . 1 . . . . . 16 Ser CA . 53704 1
136 . 1 . 1 16 16 SER CB C 13 64.239 0.029 . 1 . . . . . 16 Ser CB . 53704 1
137 . 1 . 1 17 17 GLU H H 1 8.706 0.002 . 1 . . . . . 17 Glu H . 53704 1
138 . 1 . 1 17 17 GLU HA H 1 4.123 0.006 . 1 . . . . . 17 Glu HA . 53704 1
139 . 1 . 1 17 17 GLU HB2 H 1 2.145 0.002 . 1 . . . . . 17 Glu HB2 . 53704 1
140 . 1 . 1 17 17 GLU HG2 H 1 2.350 0.001 . 2 . . . . . 17 Glu HG2 . 53704 1
141 . 1 . 1 17 17 GLU HG3 H 1 2.420 0.001 . 2 . . . . . 17 Glu HG3 . 53704 1
142 . 1 . 1 17 17 GLU CA C 13 59.441 0.030 . 1 . . . . . 17 Glu CA . 53704 1
143 . 1 . 1 17 17 GLU CB C 13 29.606 0.000 . 1 . . . . . 17 Glu CB . 53704 1
144 . 1 . 1 17 17 GLU CG C 13 36.532 0.029 . 1 . . . . . 17 Glu CG . 53704 1
145 . 1 . 1 18 18 ARG H H 1 8.184 0.002 . 1 . . . . . 18 Arg H . 53704 1
146 . 1 . 1 18 18 ARG HA H 1 4.260 0.007 . 1 . . . . . 18 Arg HA . 53704 1
147 . 1 . 1 18 18 ARG HB2 H 1 1.841 0.003 . 2 . . . . . 18 Arg HB2 . 53704 1
148 . 1 . 1 18 18 ARG HB3 H 1 1.764 0.004 . 2 . . . . . 18 Arg HB3 . 53704 1
149 . 1 . 1 18 18 ARG CA C 13 58.467 0.005 . 1 . . . . . 18 Arg CA . 53704 1
150 . 1 . 1 18 18 ARG CB C 13 30.301 0.003 . 1 . . . . . 18 Arg CB . 53704 1
151 . 1 . 1 19 19 ALA H H 1 7.933 0.002 . 1 . . . . . 19 Ala H . 53704 1
152 . 1 . 1 19 19 ALA HA H 1 4.188 0.001 . 1 . . . . . 19 Ala HA . 53704 1
153 . 1 . 1 19 19 ALA HB1 H 1 1.537 0.011 . 1 . . . . . 19 Ala HB1 . 53704 1
154 . 1 . 1 19 19 ALA HB2 H 1 1.537 0.011 . 1 . . . . . 19 Ala HB2 . 53704 1
155 . 1 . 1 19 19 ALA HB3 H 1 1.537 0.011 . 1 . . . . . 19 Ala HB3 . 53704 1
156 . 1 . 1 19 19 ALA CA C 13 55.128 0.013 . 1 . . . . . 19 Ala CA . 53704 1
157 . 1 . 1 19 19 ALA CB C 13 18.934 0.047 . 1 . . . . . 19 Ala CB . 53704 1
158 . 1 . 1 20 20 ARG H H 1 7.969 0.002 . 1 . . . . . 20 Arg H . 53704 1
159 . 1 . 1 20 20 ARG HA H 1 4.086 0.003 . 1 . . . . . 20 Arg HA . 53704 1
160 . 1 . 1 20 20 ARG HB2 H 1 2.016 0.001 . 2 . . . . . 20 Arg HB2 . 53704 1
161 . 1 . 1 20 20 ARG HB3 H 1 2.003 0.000 . 2 . . . . . 20 Arg HB3 . 53704 1
162 . 1 . 1 20 20 ARG HG2 H 1 1.903 0.001 . 2 . . . . . 20 Arg HG2 . 53704 1
163 . 1 . 1 20 20 ARG HG3 H 1 1.677 0.000 . 2 . . . . . 20 Arg HG3 . 53704 1
164 . 1 . 1 20 20 ARG HD2 H 1 3.276 0.002 . 2 . . . . . 20 Arg HD2 . 53704 1
165 . 1 . 1 20 20 ARG HD3 H 1 3.245 0.008 . 2 . . . . . 20 Arg HD3 . 53704 1
166 . 1 . 1 20 20 ARG HE H 1 7.302 0.001 . 1 . . . . . 20 Arg HE . 53704 1
167 . 1 . 1 20 20 ARG CA C 13 57.585 0.000 . 1 . . . . . 20 Arg CA . 53704 1
168 . 1 . 1 20 20 ARG CB C 13 30.025 0.000 . 1 . . . . . 20 Arg CB . 53704 1
169 . 1 . 1 20 20 ARG CG C 13 28.024 0.035 . 1 . . . . . 20 Arg CG . 53704 1
170 . 1 . 1 20 20 ARG CD C 13 43.606 0.008 . 1 . . . . . 20 Arg CD . 53704 1
171 . 1 . 1 20 20 ARG N N 15 117.297 0.000 . 1 . . . . . 20 Arg N . 53704 1
172 . 1 . 1 20 20 ARG NE N 15 84.865 0.000 . 1 . . . . . 20 Arg NE . 53704 1
173 . 1 . 1 21 21 ASP H H 1 8.314 0.001 . 1 . . . . . 21 Asp H . 53704 1
174 . 1 . 1 21 21 ASP HA H 1 4.620 0.002 . 1 . . . . . 21 Asp HA . 53704 1
175 . 1 . 1 21 21 ASP HB2 H 1 2.989 0.005 . 2 . . . . . 21 Asp HB2 . 53704 1
176 . 1 . 1 21 21 ASP HB3 H 1 2.841 0.006 . 2 . . . . . 21 Asp HB3 . 53704 1
177 . 1 . 1 21 21 ASP CA C 13 57.050 0.000 . 1 . . . . . 21 Asp CA . 53704 1
178 . 1 . 1 21 21 ASP CB C 13 40.644 0.009 . 1 . . . . . 21 Asp CB . 53704 1
179 . 1 . 1 22 22 PHE H H 1 8.233 0.001 . 1 . . . . . 22 Phe H . 53704 1
180 . 1 . 1 22 22 PHE HA H 1 4.279 0.006 . 1 . . . . . 22 Phe HA . 53704 1
181 . 1 . 1 22 22 PHE HB2 H 1 3.247 0.002 . 1 . . . . . 22 Phe HB2 . 53704 1
182 . 1 . 1 22 22 PHE HD1 H 1 6.974 0.002 . 1 . . . . . 22 Phe HD1 . 53704 1
183 . 1 . 1 22 22 PHE HD2 H 1 6.974 0.002 . 1 . . . . . 22 Phe HD2 . 53704 1
184 . 1 . 1 22 22 PHE HE1 H 1 7.077 0.002 . 1 . . . . . 22 Phe HE1 . 53704 1
185 . 1 . 1 22 22 PHE HE2 H 1 7.077 0.002 . 1 . . . . . 22 Phe HE2 . 53704 1
186 . 1 . 1 22 22 PHE HZ H 1 7.190 0.000 . 1 . . . . . 22 Phe HZ . 53704 1
187 . 1 . 1 22 22 PHE CA C 13 60.930 0.017 . 1 . . . . . 22 Phe CA . 53704 1
188 . 1 . 1 22 22 PHE CB C 13 39.408 0.000 . 1 . . . . . 22 Phe CB . 53704 1
189 . 1 . 1 22 22 PHE CD1 C 13 131.679 0.000 . 1 . . . . . 22 Phe CD1 . 53704 1
190 . 1 . 1 22 22 PHE CD2 C 13 131.679 0.000 . 1 . . . . . 22 Phe CD2 . 53704 1
191 . 1 . 1 22 22 PHE CE1 C 13 131.083 0.000 . 1 . . . . . 22 Phe CE1 . 53704 1
192 . 1 . 1 22 22 PHE CE2 C 13 131.083 0.000 . 1 . . . . . 22 Phe CE2 . 53704 1
193 . 1 . 1 22 22 PHE CZ C 13 129.534 0.112 . 1 . . . . . 22 Phe CZ . 53704 1
194 . 1 . 1 23 23 VAL H H 1 8.169 0.006 . 1 . . . . . 23 Val H . 53704 1
195 . 1 . 1 23 23 VAL HA H 1 3.514 0.003 . 1 . . . . . 23 Val HA . 53704 1
196 . 1 . 1 23 23 VAL HB H 1 2.189 0.010 . 1 . . . . . 23 Val HB . 53704 1
197 . 1 . 1 23 23 VAL HG11 H 1 1.150 0.012 . 2 . . . . . 23 Val HG11 . 53704 1
198 . 1 . 1 23 23 VAL HG12 H 1 1.150 0.012 . 2 . . . . . 23 Val HG12 . 53704 1
199 . 1 . 1 23 23 VAL HG13 H 1 1.150 0.012 . 2 . . . . . 23 Val HG13 . 53704 1
200 . 1 . 1 23 23 VAL HG21 H 1 0.977 0.012 . 2 . . . . . 23 Val HG21 . 53704 1
201 . 1 . 1 23 23 VAL HG22 H 1 0.977 0.012 . 2 . . . . . 23 Val HG22 . 53704 1
202 . 1 . 1 23 23 VAL HG23 H 1 0.977 0.012 . 2 . . . . . 23 Val HG23 . 53704 1
203 . 1 . 1 23 23 VAL CA C 13 66.625 0.046 . 1 . . . . . 23 Val CA . 53704 1
204 . 1 . 1 23 23 VAL CB C 13 31.746 0.000 . 1 . . . . . 23 Val CB . 53704 1
205 . 1 . 1 23 23 VAL CG1 C 13 23.247 0.091 . 1 . . . . . 23 Val CG1 . 53704 1
206 . 1 . 1 23 23 VAL CG2 C 13 21.786 0.047 . 1 . . . . . 23 Val CG2 . 53704 1
207 . 1 . 1 24 24 ALA H H 1 8.000 0.005 . 1 . . . . . 24 Ala H . 53704 1
208 . 1 . 1 24 24 ALA HA H 1 4.217 0.001 . 1 . . . . . 24 Ala HA . 53704 1
209 . 1 . 1 24 24 ALA HB1 H 1 1.600 0.001 . 1 . . . . . 24 Ala HB1 . 53704 1
210 . 1 . 1 24 24 ALA HB2 H 1 1.600 0.001 . 1 . . . . . 24 Ala HB2 . 53704 1
211 . 1 . 1 24 24 ALA HB3 H 1 1.600 0.001 . 1 . . . . . 24 Ala HB3 . 53704 1
212 . 1 . 1 24 24 ALA CA C 13 54.948 0.012 . 1 . . . . . 24 Ala CA . 53704 1
213 . 1 . 1 24 24 ALA CB C 13 18.364 0.086 . 1 . . . . . 24 Ala CB . 53704 1
214 . 1 . 1 24 24 ALA N N 15 121.738 0.000 . 1 . . . . . 24 Ala N . 53704 1
215 . 1 . 1 25 25 TRP H H 1 7.984 0.001 . 1 . . . . . 25 Trp H . 53704 1
216 . 1 . 1 25 25 TRP HA H 1 4.219 0.001 . 1 . . . . . 25 Trp HA . 53704 1
217 . 1 . 1 25 25 TRP HB2 H 1 3.488 0.004 . 2 . . . . . 25 Trp HB2 . 53704 1
218 . 1 . 1 25 25 TRP HB3 H 1 3.216 0.000 . 2 . . . . . 25 Trp HB3 . 53704 1
219 . 1 . 1 25 25 TRP HD1 H 1 7.143 0.002 . 1 . . . . . 25 Trp HD1 . 53704 1
220 . 1 . 1 25 25 TRP HE1 H 1 10.026 0.001 . 1 . . . . . 25 Trp HE1 . 53704 1
221 . 1 . 1 25 25 TRP HZ2 H 1 7.414 0.008 . 1 . . . . . 25 Trp HZ2 . 53704 1
222 . 1 . 1 25 25 TRP HZ3 H 1 6.870 0.003 . 1 . . . . . 25 Trp HZ3 . 53704 1
223 . 1 . 1 25 25 TRP HH2 H 1 7.115 0.001 . 1 . . . . . 25 Trp HH2 . 53704 1
224 . 1 . 1 25 25 TRP CA C 13 60.738 0.050 . 1 . . . . . 25 Trp CA . 53704 1
225 . 1 . 1 25 25 TRP CB C 13 28.371 0.085 . 1 . . . . . 25 Trp CB . 53704 1
226 . 1 . 1 25 25 TRP CD1 C 13 127.139 0.000 . 1 . . . . . 25 Trp CD1 . 53704 1
227 . 1 . 1 25 25 TRP CZ2 C 13 114.278 0.000 . 1 . . . . . 25 Trp CZ2 . 53704 1
228 . 1 . 1 25 25 TRP CZ3 C 13 121.747 0.000 . 1 . . . . . 25 Trp CZ3 . 53704 1
229 . 1 . 1 25 25 TRP CH2 C 13 123.967 0.051 . 1 . . . . . 25 Trp CH2 . 53704 1
230 . 1 . 1 25 25 TRP N N 15 120.541 0.000 . 1 . . . . . 25 Trp N . 53704 1
231 . 1 . 1 26 26 LEU H H 1 8.084 0.002 . 1 . . . . . 26 Leu H . 53704 1
232 . 1 . 1 26 26 LEU HA H 1 3.543 0.010 . 1 . . . . . 26 Leu HA . 53704 1
233 . 1 . 1 26 26 LEU HB2 H 1 1.700 0.002 . 1 . . . . . 26 Leu HB2 . 53704 1
234 . 1 . 1 26 26 LEU HB3 H 1 1.379 0.005 . 1 . . . . . 26 Leu HB3 . 53704 1
235 . 1 . 1 26 26 LEU HG H 1 1.443 0.006 . 1 . . . . . 26 Leu HG . 53704 1
236 . 1 . 1 26 26 LEU HD11 H 1 0.678 0.002 . 2 . . . . . 26 Leu HD11 . 53704 1
237 . 1 . 1 26 26 LEU HD12 H 1 0.678 0.002 . 2 . . . . . 26 Leu HD12 . 53704 1
238 . 1 . 1 26 26 LEU HD13 H 1 0.678 0.002 . 2 . . . . . 26 Leu HD13 . 53704 1
239 . 1 . 1 26 26 LEU HD21 H 1 0.684 0.007 . 2 . . . . . 26 Leu HD21 . 53704 1
240 . 1 . 1 26 26 LEU HD22 H 1 0.684 0.007 . 2 . . . . . 26 Leu HD22 . 53704 1
241 . 1 . 1 26 26 LEU HD23 H 1 0.684 0.007 . 2 . . . . . 26 Leu HD23 . 53704 1
242 . 1 . 1 26 26 LEU CA C 13 57.212 0.071 . 1 . . . . . 26 Leu CA . 53704 1
243 . 1 . 1 26 26 LEU CB C 13 42.413 0.067 . 1 . . . . . 26 Leu CB . 53704 1
244 . 1 . 1 26 26 LEU CG C 13 26.391 0.000 . 1 . . . . . 26 Leu CG . 53704 1
245 . 1 . 1 26 26 LEU CD1 C 13 25.632 0.000 . 2 . . . . . 26 Leu CD1 . 53704 1
246 . 1 . 1 26 26 LEU CD2 C 13 23.986 0.000 . 2 . . . . . 26 Leu CD2 . 53704 1
247 . 1 . 1 27 27 GLU H H 1 8.045 0.001 . 1 . . . . . 27 Glu H . 53704 1
248 . 1 . 1 27 27 GLU HA H 1 4.091 0.005 . 1 . . . . . 27 Glu HA . 53704 1
249 . 1 . 1 27 27 GLU HB2 H 1 2.071 0.000 . 2 . . . . . 27 Glu HB2 . 53704 1
250 . 1 . 1 27 27 GLU HB3 H 1 2.104 0.000 . 2 . . . . . 27 Glu HB3 . 53704 1
251 . 1 . 1 27 27 GLU HG2 H 1 2.469 0.001 . 1 . . . . . 27 Glu HG2 . 53704 1
252 . 1 . 1 27 27 GLU HG3 H 1 2.268 0.000 . 1 . . . . . 27 Glu HG3 . 53704 1
253 . 1 . 1 27 27 GLU CA C 13 59.513 0.032 . 1 . . . . . 27 Glu CA . 53704 1
254 . 1 . 1 27 27 GLU CB C 13 29.926 0.000 . 1 . . . . . 27 Glu CB . 53704 1
255 . 1 . 1 27 27 GLU CG C 13 35.991 0.004 . 1 . . . . . 27 Glu CG . 53704 1
256 . 1 . 1 27 27 GLU N N 15 117.231 0.000 . 1 . . . . . 27 Glu N . 53704 1
257 . 1 . 1 28 28 ALA H H 1 7.668 0.003 . 1 . . . . . 28 Ala H . 53704 1
258 . 1 . 1 28 28 ALA HA H 1 4.311 0.002 . 1 . . . . . 28 Ala HA . 53704 1
259 . 1 . 1 28 28 ALA HB1 H 1 1.458 0.003 . 1 . . . . . 28 Ala HB1 . 53704 1
260 . 1 . 1 28 28 ALA HB2 H 1 1.458 0.003 . 1 . . . . . 28 Ala HB2 . 53704 1
261 . 1 . 1 28 28 ALA HB3 H 1 1.458 0.003 . 1 . . . . . 28 Ala HB3 . 53704 1
262 . 1 . 1 28 28 ALA CA C 13 53.073 0.032 . 1 . . . . . 28 Ala CA . 53704 1
263 . 1 . 1 28 28 ALA CB C 13 19.129 0.024 . 1 . . . . . 28 Ala CB . 53704 1
264 . 1 . 1 28 28 ALA N N 15 121.955 0.000 . 1 . . . . . 28 Ala N . 53704 1
265 . 1 . 1 29 29 GLY H H 1 7.938 0.002 . 1 . . . . . 29 Gly H . 53704 1
266 . 1 . 1 29 29 GLY HA2 H 1 3.859 0.002 . 1 . . . . . 29 Gly HA2 . 53704 1
267 . 1 . 1 29 29 GLY CA C 13 45.470 0.017 . 1 . . . . . 29 Gly CA . 53704 1
268 . 1 . 1 30 30 GLY H H 1 7.733 0.002 . 1 . . . . . 30 Gly H . 53704 1
269 . 1 . 1 30 30 GLY HA2 H 1 3.653 0.018 . 2 . . . . . 30 Gly HA2 . 53704 1
270 . 1 . 1 30 30 GLY HA3 H 1 3.674 0.000 . 2 . . . . . 30 Gly HA3 . 53704 1
271 . 1 . 1 30 30 GLY CA C 13 46.202 0.008 . 1 . . . . . 30 Gly CA . 53704 1
stop_
save_