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 51323
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chem_shift_list_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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-15N HSQC' . . . 51323 1
2 '3D HNCO' . . . 51323 1
3 '3D HNCACB' . . . 51323 1
4 '3D 1H-15N TOCSY-HSQC' . . . 51323 1
5 '3D 1H-15N NOESY-TROSY' . . . 51323 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
1 $software_1 . . 51323 1
2 $software_2 . . 51323 1
3 $software_3 . . 51323 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 ASP C C 13 171.5400 0.2 . 1 . . . . . 1 ASP C . 51323 1
2 . 1 . 1 1 1 ASP CA C 13 52.7440 0.2 . 1 . . . . . 1 ASP CA . 51323 1
3 . 1 . 1 1 1 ASP CB C 13 37.8730 0.2 . 1 . . . . . 1 ASP CB . 51323 1
4 . 1 . 1 2 2 ALA H H 1 8.8120 0.02 . 1 . . . . . 2 ALA H . 51323 1
5 . 1 . 1 2 2 ALA HA H 1 4.3140 0.02 . 1 . . . . . 2 ALA HA . 51323 1
6 . 1 . 1 2 2 ALA HB1 H 1 1.3450 0.02 . 1 . . . . . 2 ALA HB1 . 51323 1
7 . 1 . 1 2 2 ALA HB2 H 1 1.3450 0.02 . 1 . . . . . 2 ALA HB1 . 51323 1
8 . 1 . 1 2 2 ALA HB3 H 1 1.3450 0.02 . 1 . . . . . 2 ALA HB1 . 51323 1
9 . 1 . 1 2 2 ALA C C 13 177.2540 0.2 . 1 . . . . . 2 ALA C . 51323 1
10 . 1 . 1 2 2 ALA CA C 13 52.6130 0.2 . 1 . . . . . 2 ALA CA . 51323 1
11 . 1 . 1 2 2 ALA CB C 13 19.0480 0.2 . 1 . . . . . 2 ALA CB . 51323 1
12 . 1 . 1 2 2 ALA N N 15 124.7350 0.1 . 1 . . . . . 2 ALA N . 51323 1
13 . 1 . 1 3 3 GLU H H 1 8.3730 0.02 . 1 . . . . . 3 GLU H . 51323 1
14 . 1 . 1 3 3 GLU HA H 1 4.2480 0.02 . 1 . . . . . 3 GLU HA . 51323 1
15 . 1 . 1 3 3 GLU HB2 H 1 1.9210 0.02 . 2 . . . . . 3 GLU HB2 . 51323 1
16 . 1 . 1 3 3 GLU HG2 H 1 2.3400 0.02 . 2 . . . . . 3 GLU HG2 . 51323 1
17 . 1 . 1 3 3 GLU C C 13 175.7470 0.2 . 1 . . . . . 3 GLU C . 51323 1
18 . 1 . 1 3 3 GLU CA C 13 55.8860 0.2 . 1 . . . . . 3 GLU CA . 51323 1
19 . 1 . 1 3 3 GLU CB C 13 28.7510 0.2 . 1 . . . . . 3 GLU CB . 51323 1
20 . 1 . 1 3 3 GLU N N 15 119.9840 0.1 . 1 . . . . . 3 GLU N . 51323 1
21 . 1 . 1 4 4 PHE H H 1 8.3480 0.02 . 1 . . . . . 4 PHE H . 51323 1
22 . 1 . 1 4 4 PHE HA H 1 4.5900 0.02 . 1 . . . . . 4 PHE HA . 51323 1
23 . 1 . 1 4 4 PHE HB2 H 1 3.0300 0.02 . 2 . . . . . 4 PHE HB2 . 51323 1
24 . 1 . 1 4 4 PHE C C 13 175.5250 0.2 . 1 . . . . . 4 PHE C . 51323 1
25 . 1 . 1 4 4 PHE CA C 13 57.5640 0.2 . 1 . . . . . 4 PHE CA . 51323 1
26 . 1 . 1 4 4 PHE CB C 13 39.4730 0.2 . 1 . . . . . 4 PHE CB . 51323 1
27 . 1 . 1 4 4 PHE N N 15 121.5400 0.1 . 1 . . . . . 4 PHE N . 51323 1
28 . 1 . 1 5 5 ARG H H 1 8.3180 0.02 . 1 . . . . . 5 ARG H . 51323 1
29 . 1 . 1 5 5 ARG HA H 1 4.2030 0.02 . 1 . . . . . 5 ARG HA . 51323 1
30 . 1 . 1 5 5 ARG HB2 H 1 1.6720 0.02 . 2 . . . . . 5 ARG HB2 . 51323 1
31 . 1 . 1 5 5 ARG HG2 H 1 1.4950 0.02 . 2 . . . . . 5 ARG HG2 . 51323 1
32 . 1 . 1 5 5 ARG HE H 1 7.1960 0.02 . 1 . . . . . 5 ARG HE . 51323 1
33 . 1 . 1 5 5 ARG C C 13 175.8300 0.2 . 1 . . . . . 5 ARG C . 51323 1
34 . 1 . 1 5 5 ARG CA C 13 55.9080 0.2 . 1 . . . . . 5 ARG CA . 51323 1
35 . 1 . 1 5 5 ARG CB C 13 30.7800 0.2 . 1 . . . . . 5 ARG CB . 51323 1
36 . 1 . 1 5 5 ARG N N 15 123.0310 0.1 . 1 . . . . . 5 ARG N . 51323 1
37 . 1 . 1 5 5 ARG NE N 15 84.3800 0.1 . 1 . . . . . 5 ARG NE . 51323 1
38 . 1 . 1 6 6 HIS H H 1 8.6590 0.02 . 1 . . . . . 6 HIS H . 51323 1
39 . 1 . 1 6 6 HIS HA H 1 4.6120 0.02 . 1 . . . . . 6 HIS HA . 51323 1
40 . 1 . 1 6 6 HIS HB2 H 1 3.1730 0.02 . 2 . . . . . 6 HIS HB2 . 51323 1
41 . 1 . 1 6 6 HIS C C 13 174.1700 0.2 . 1 . . . . . 6 HIS C . 51323 1
42 . 1 . 1 6 6 HIS CA C 13 55.3070 0.2 . 1 . . . . . 6 HIS CA . 51323 1
43 . 1 . 1 6 6 HIS CB C 13 28.8660 0.2 . 1 . . . . . 6 HIS CB . 51323 1
44 . 1 . 1 6 6 HIS N N 15 120.0280 0.1 . 1 . . . . . 6 HIS N . 51323 1
45 . 1 . 1 7 7 ASP H H 1 8.6930 0.02 . 1 . . . . . 7 ASP H . 51323 1
46 . 1 . 1 7 7 ASP HA H 1 4.7330 0.02 . 1 . . . . . 7 ASP HA . 51323 1
47 . 1 . 1 7 7 ASP HB2 H 1 2.8990 0.02 . 2 . . . . . 7 ASP HB2 . 51323 1
48 . 1 . 1 7 7 ASP C C 13 175.2700 0.2 . 1 . . . . . 7 ASP C . 51323 1
49 . 1 . 1 7 7 ASP CA C 13 52.8980 0.2 . 1 . . . . . 7 ASP CA . 51323 1
50 . 1 . 1 7 7 ASP CB C 13 38.2760 0.2 . 1 . . . . . 7 ASP CB . 51323 1
51 . 1 . 1 7 7 ASP N N 15 120.9960 0.1 . 1 . . . . . 7 ASP N . 51323 1
52 . 1 . 1 8 8 SER H H 1 8.5640 0.02 . 1 . . . . . 8 SER H . 51323 1
53 . 1 . 1 8 8 SER HA H 1 4.4020 0.02 . 1 . . . . . 8 SER HA . 51323 1
54 . 1 . 1 8 8 SER HB2 H 1 3.8830 0.02 . 2 . . . . . 8 SER HB2 . 51323 1
55 . 1 . 1 8 8 SER C C 13 175.0880 0.2 . 1 . . . . . 8 SER C . 51323 1
56 . 1 . 1 8 8 SER CA C 13 59.0160 0.2 . 1 . . . . . 8 SER CA . 51323 1
57 . 1 . 1 8 8 SER CB C 13 63.7270 0.2 . 1 . . . . . 8 SER CB . 51323 1
58 . 1 . 1 8 8 SER N N 15 116.9800 0.1 . 1 . . . . . 8 SER N . 51323 1
59 . 1 . 1 9 9 GLY H H 1 8.5300 0.02 . 1 . . . . . 9 GLY H . 51323 1
60 . 1 . 1 9 9 GLY HA2 H 1 3.9290 0.02 . 2 . . . . . 9 GLY HA2 . 51323 1
61 . 1 . 1 9 9 GLY C C 13 174.0060 0.2 . 1 . . . . . 9 GLY C . 51323 1
62 . 1 . 1 9 9 GLY CA C 13 45.3380 0.2 . 1 . . . . . 9 GLY CA . 51323 1
63 . 1 . 1 9 9 GLY N N 15 110.7240 0.1 . 1 . . . . . 9 GLY N . 51323 1
64 . 1 . 1 10 10 TYR H H 1 8.0780 0.02 . 1 . . . . . 10 TYR H . 51323 1
65 . 1 . 1 10 10 TYR HA H 1 4.4850 0.02 . 1 . . . . . 10 TYR HA . 51323 1
66 . 1 . 1 10 10 TYR HB2 H 1 2.9760 0.02 . 2 . . . . . 10 TYR HB2 . 51323 1
67 . 1 . 1 10 10 TYR C C 13 175.8430 0.2 . 1 . . . . . 10 TYR C . 51323 1
68 . 1 . 1 10 10 TYR CA C 13 58.4740 0.2 . 1 . . . . . 10 TYR CA . 51323 1
69 . 1 . 1 10 10 TYR CB C 13 38.8080 0.2 . 1 . . . . . 10 TYR CB . 51323 1
70 . 1 . 1 10 10 TYR N N 15 120.6210 0.1 . 1 . . . . . 10 TYR N . 51323 1
71 . 1 . 1 11 11 GLU H H 1 8.2690 0.02 . 1 . . . . . 11 GLU H . 51323 1
72 . 1 . 1 11 11 GLU HA H 1 4.2530 0.02 . 1 . . . . . 11 GLU HA . 51323 1
73 . 1 . 1 11 11 GLU HB2 H 1 1.8400 0.02 . 2 . . . . . 11 GLU HB2 . 51323 1
74 . 1 . 1 11 11 GLU HB3 H 1 1.9440 0.02 . 2 . . . . . 11 GLU HB3 . 51323 1
75 . 1 . 1 11 11 GLU HG2 H 1 2.2990 0.02 . 2 . . . . . 11 GLU HG2 . 51323 1
76 . 1 . 1 11 11 GLU C C 13 175.4100 0.2 . 1 . . . . . 11 GLU C . 51323 1
77 . 1 . 1 11 11 GLU CA C 13 55.4530 0.2 . 1 . . . . . 11 GLU CA . 51323 1
78 . 1 . 1 11 11 GLU CB C 13 28.9540 0.2 . 1 . . . . . 11 GLU CB . 51323 1
79 . 1 . 1 11 11 GLU N N 15 122.9040 0.1 . 1 . . . . . 11 GLU N . 51323 1
80 . 1 . 1 12 12 VAL H H 1 8.1560 0.02 . 1 . . . . . 12 VAL H . 51323 1
81 . 1 . 1 12 12 VAL HB H 1 1.8960 0.02 . 1 . . . . . 12 VAL HB . 51323 1
82 . 1 . 1 12 12 VAL HG11 H 1 0.8750 0.02 . 2 . . . . . 12 VAL HG11 . 51323 1
83 . 1 . 1 12 12 VAL HG12 H 1 0.8750 0.02 . 2 . . . . . 12 VAL HG11 . 51323 1
84 . 1 . 1 12 12 VAL HG13 H 1 0.8750 0.02 . 2 . . . . . 12 VAL HG11 . 51323 1
85 . 1 . 1 12 12 VAL C C 13 175.9740 0.2 . 1 . . . . . 12 VAL C . 51323 1
86 . 1 . 1 12 12 VAL CA C 13 62.6200 0.2 . 1 . . . . . 12 VAL CA . 51323 1
87 . 1 . 1 12 12 VAL CB C 13 32.5060 0.2 . 1 . . . . . 12 VAL CB . 51323 1
88 . 1 . 1 12 12 VAL N N 15 121.6310 0.1 . 1 . . . . . 12 VAL N . 51323 1
89 . 1 . 1 13 13 HIS H H 1 8.6310 0.02 . 1 . . . . . 13 HIS H . 51323 1
90 . 1 . 1 13 13 HIS HA H 1 4.6670 0.02 . 1 . . . . . 13 HIS HA . 51323 1
91 . 1 . 1 13 13 HIS HB2 H 1 3.1570 0.02 . 2 . . . . . 13 HIS HB2 . 51323 1
92 . 1 . 1 13 13 HIS C C 13 174.0850 0.2 . 1 . . . . . 13 HIS C . 51323 1
93 . 1 . 1 13 13 HIS CA C 13 55.0450 0.2 . 1 . . . . . 13 HIS CA . 51323 1
94 . 1 . 1 13 13 HIS CB C 13 28.9150 0.2 . 1 . . . . . 13 HIS CB . 51323 1
95 . 1 . 1 13 13 HIS N N 15 122.0610 0.1 . 1 . . . . . 13 HIS N . 51323 1
96 . 1 . 1 14 14 HIS H H 1 8.7040 0.02 . 1 . . . . . 14 HIS H . 51323 1
97 . 1 . 1 14 14 HIS HA H 1 4.6480 0.02 . 1 . . . . . 14 HIS HA . 51323 1
98 . 1 . 1 14 14 HIS HB2 H 1 3.2160 0.02 . 2 . . . . . 14 HIS HB2 . 51323 1
99 . 1 . 1 14 14 HIS HB3 H 1 3.0920 0.02 . 2 . . . . . 14 HIS HB3 . 51323 1
100 . 1 . 1 14 14 HIS C C 13 174.0450 0.2 . 1 . . . . . 14 HIS C . 51323 1
101 . 1 . 1 14 14 HIS CA C 13 55.2430 0.2 . 1 . . . . . 14 HIS CA . 51323 1
102 . 1 . 1 14 14 HIS CB C 13 29.0100 0.2 . 1 . . . . . 14 HIS CB . 51323 1
103 . 1 . 1 14 14 HIS N N 15 120.7000 0.1 . 1 . . . . . 14 HIS N . 51323 1
104 . 1 . 1 15 15 GLN H H 1 8.6520 0.02 . 1 . . . . . 15 GLN H . 51323 1
105 . 1 . 1 15 15 GLN HA H 1 4.2940 0.02 . 1 . . . . . 15 GLN HA . 51323 1
106 . 1 . 1 15 15 GLN HB2 H 1 2.0110 0.02 . 2 . . . . . 15 GLN HB2 . 51323 1
107 . 1 . 1 15 15 GLN HG2 H 1 2.3480 0.02 . 2 . . . . . 15 GLN HG2 . 51323 1
108 . 1 . 1 15 15 GLN HE21 H 1 7.6760 0.02 . 2 . . . . . 15 GLN HE21 . 51323 1
109 . 1 . 1 15 15 GLN HE22 H 1 7.0080 0.02 . 2 . . . . . 15 GLN HE22 . 51323 1
110 . 1 . 1 15 15 GLN C C 13 175.6330 0.2 . 1 . . . . . 15 GLN C . 51323 1
111 . 1 . 1 15 15 GLN CA C 13 55.8420 0.2 . 1 . . . . . 15 GLN CA . 51323 1
112 . 1 . 1 15 15 GLN CB C 13 29.6700 0.2 . 1 . . . . . 15 GLN CB . 51323 1
113 . 1 . 1 15 15 GLN N N 15 122.3280 0.1 . 1 . . . . . 15 GLN N . 51323 1
114 . 1 . 1 15 15 GLN NE2 N 15 112.9680 0.1 . 1 . . . . . 15 GLN NE2 . 51323 1
115 . 1 . 1 16 16 LYS H H 1 8.6030 0.02 . 1 . . . . . 16 LYS H . 51323 1
116 . 1 . 1 16 16 LYS HA H 1 4.2610 0.02 . 1 . . . . . 16 LYS HA . 51323 1
117 . 1 . 1 16 16 LYS HB2 H 1 1.7510 0.02 . 2 . . . . . 16 LYS HB2 . 51323 1
118 . 1 . 1 16 16 LYS C C 13 176.2020 0.2 . 1 . . . . . 16 LYS C . 51323 1
119 . 1 . 1 16 16 LYS CA C 13 56.5120 0.2 . 1 . . . . . 16 LYS CA . 51323 1
120 . 1 . 1 16 16 LYS CB C 13 33.0050 0.2 . 1 . . . . . 16 LYS CB . 51323 1
121 . 1 . 1 16 16 LYS N N 15 124.1120 0.1 . 1 . . . . . 16 LYS N . 51323 1
122 . 1 . 1 17 17 LEU H H 1 8.4430 0.02 . 1 . . . . . 17 LEU H . 51323 1
123 . 1 . 1 17 17 LEU HA H 1 4.3410 0.02 . 1 . . . . . 17 LEU HA . 51323 1
124 . 1 . 1 17 17 LEU HB2 H 1 1.5820 0.02 . 2 . . . . . 17 LEU HB2 . 51323 1
125 . 1 . 1 17 17 LEU HG H 1 1.4430 0.02 . 1 . . . . . 17 LEU HG . 51323 1
126 . 1 . 1 17 17 LEU C C 13 176.7670 0.2 . 1 . . . . . 17 LEU C . 51323 1
127 . 1 . 1 17 17 LEU CA C 13 55.0650 0.2 . 1 . . . . . 17 LEU CA . 51323 1
128 . 1 . 1 17 17 LEU CB C 13 42.3910 0.2 . 1 . . . . . 17 LEU CB . 51323 1
129 . 1 . 1 17 17 LEU N N 15 125.0490 0.1 . 1 . . . . . 17 LEU N . 51323 1
130 . 1 . 1 18 18 VAL H H 1 8.1980 0.02 . 1 . . . . . 18 VAL H . 51323 1
131 . 1 . 1 18 18 VAL HA H 1 4.0360 0.02 . 1 . . . . . 18 VAL HA . 51323 1
132 . 1 . 1 18 18 VAL HB H 1 1.8970 0.02 . 1 . . . . . 18 VAL HB . 51323 1
133 . 1 . 1 18 18 VAL HG11 H 1 0.7900 0.02 . 2 . . . . . 18 VAL HG11 . 51323 1
134 . 1 . 1 18 18 VAL HG12 H 1 0.7900 0.02 . 2 . . . . . 18 VAL HG11 . 51323 1
135 . 1 . 1 18 18 VAL HG13 H 1 0.7900 0.02 . 2 . . . . . 18 VAL HG11 . 51323 1
136 . 1 . 1 18 18 VAL C C 13 175.1970 0.2 . 1 . . . . . 18 VAL C . 51323 1
137 . 1 . 1 18 18 VAL CA C 13 61.9140 0.2 . 1 . . . . . 18 VAL CA . 51323 1
138 . 1 . 1 18 18 VAL CB C 13 33.1590 0.2 . 1 . . . . . 18 VAL CB . 51323 1
139 . 1 . 1 18 18 VAL N N 15 122.3470 0.1 . 1 . . . . . 18 VAL N . 51323 1
140 . 1 . 1 19 19 PHE H H 1 8.3840 0.02 . 1 . . . . . 19 PHE H . 51323 1
141 . 1 . 1 19 19 PHE HA H 1 4.6020 0.02 . 1 . . . . . 19 PHE HA . 51323 1
142 . 1 . 1 19 19 PHE HB2 H 1 2.9490 0.02 . 2 . . . . . 19 PHE HB2 . 51323 1
143 . 1 . 1 19 19 PHE C C 13 174.9070 0.2 . 1 . . . . . 19 PHE C . 51323 1
144 . 1 . 1 19 19 PHE CA C 13 57.4060 0.2 . 1 . . . . . 19 PHE CA . 51323 1
145 . 1 . 1 19 19 PHE CB C 13 40.1480 0.2 . 1 . . . . . 19 PHE CB . 51323 1
146 . 1 . 1 19 19 PHE N N 15 124.7690 0.1 . 1 . . . . . 19 PHE N . 51323 1
147 . 1 . 1 20 20 PHE H H 1 8.2890 0.02 . 1 . . . . . 20 PHE H . 51323 1
148 . 1 . 1 20 20 PHE HA H 1 4.5410 0.02 . 1 . . . . . 20 PHE HA . 51323 1
149 . 1 . 1 20 20 PHE HB2 H 1 3.0310 0.02 . 2 . . . . . 20 PHE HB2 . 51323 1
150 . 1 . 1 20 20 PHE HB3 H 1 2.9400 0.02 . 2 . . . . . 20 PHE HB3 . 51323 1
151 . 1 . 1 20 20 PHE C C 13 174.7910 0.2 . 1 . . . . . 20 PHE C . 51323 1
152 . 1 . 1 20 20 PHE CA C 13 57.3690 0.2 . 1 . . . . . 20 PHE CA . 51323 1
153 . 1 . 1 20 20 PHE CB C 13 40.0850 0.2 . 1 . . . . . 20 PHE CB . 51323 1
154 . 1 . 1 20 20 PHE N N 15 123.2990 0.1 . 1 . . . . . 20 PHE N . 51323 1
155 . 1 . 1 21 21 ALA H H 1 8.3310 0.02 . 1 . . . . . 21 ALA H . 51323 1
156 . 1 . 1 21 21 ALA HA H 1 4.2110 0.02 . 1 . . . . . 21 ALA HA . 51323 1
157 . 1 . 1 21 21 ALA HB1 H 1 1.3490 0.02 . 1 . . . . . 21 ALA HB1 . 51323 1
158 . 1 . 1 21 21 ALA HB2 H 1 1.3490 0.02 . 1 . . . . . 21 ALA HB1 . 51323 1
159 . 1 . 1 21 21 ALA HB3 H 1 1.3490 0.02 . 1 . . . . . 21 ALA HB1 . 51323 1
160 . 1 . 1 21 21 ALA C C 13 177.2610 0.2 . 1 . . . . . 21 ALA C . 51323 1
161 . 1 . 1 21 21 ALA CA C 13 52.3450 0.2 . 1 . . . . . 21 ALA CA . 51323 1
162 . 1 . 1 21 21 ALA CB C 13 19.2450 0.2 . 1 . . . . . 21 ALA CB . 51323 1
163 . 1 . 1 21 21 ALA N N 15 126.1210 0.1 . 1 . . . . . 21 ALA N . 51323 1
164 . 1 . 1 22 22 GLU H H 1 8.3390 0.02 . 1 . . . . . 22 GLU H . 51323 1
165 . 1 . 1 22 22 GLU HA H 1 4.2930 0.02 . 1 . . . . . 22 GLU HA . 51323 1
166 . 1 . 1 22 22 GLU HB2 H 1 1.9820 0.02 . 2 . . . . . 22 GLU HB2 . 51323 1
167 . 1 . 1 22 22 GLU HG2 H 1 2.4750 0.02 . 2 . . . . . 22 GLU HG2 . 51323 1
168 . 1 . 1 22 22 GLU C C 13 175.8300 0.2 . 1 . . . . . 22 GLU C . 51323 1
169 . 1 . 1 22 22 GLU CA C 13 55.7700 0.2 . 1 . . . . . 22 GLU CA . 51323 1
170 . 1 . 1 22 22 GLU CB C 13 28.7700 0.2 . 1 . . . . . 22 GLU CB . 51323 1
171 . 1 . 1 22 22 GLU N N 15 119.3430 0.1 . 1 . . . . . 22 GLU N . 51323 1
172 . 1 . 1 23 23 ASP H H 1 8.6200 0.02 . 1 . . . . . 23 ASP H . 51323 1
173 . 1 . 1 23 23 ASP HA H 1 4.7400 0.02 . 1 . . . . . 23 ASP HA . 51323 1
174 . 1 . 1 23 23 ASP HB2 H 1 2.9310 0.02 . 2 . . . . . 23 ASP HB2 . 51323 1
175 . 1 . 1 23 23 ASP C C 13 175.1700 0.2 . 1 . . . . . 23 ASP C . 51323 1
176 . 1 . 1 23 23 ASP CA C 13 52.8490 0.2 . 1 . . . . . 23 ASP CA . 51323 1
177 . 1 . 1 23 23 ASP CB C 13 37.8530 0.2 . 1 . . . . . 23 ASP CB . 51323 1
178 . 1 . 1 23 23 ASP N N 15 120.3140 0.1 . 1 . . . . . 23 ASP N . 51323 1
179 . 1 . 1 24 24 VAL H H 1 8.2350 0.02 . 1 . . . . . 24 VAL H . 51323 1
180 . 1 . 1 24 24 VAL HA H 1 4.1260 0.02 . 1 . . . . . 24 VAL HA . 51323 1
181 . 1 . 1 24 24 VAL HB H 1 2.1130 0.02 . 1 . . . . . 24 VAL HB . 51323 1
182 . 1 . 1 24 24 VAL HG11 H 1 0.9340 0.02 . 2 . . . . . 24 VAL HG11 . 51323 1
183 . 1 . 1 24 24 VAL HG12 H 1 0.9340 0.02 . 2 . . . . . 24 VAL HG11 . 51323 1
184 . 1 . 1 24 24 VAL HG13 H 1 0.9340 0.02 . 2 . . . . . 24 VAL HG11 . 51323 1
185 . 1 . 1 24 24 VAL C C 13 176.8040 0.2 . 1 . . . . . 24 VAL C . 51323 1
186 . 1 . 1 24 24 VAL CA C 13 62.6650 0.2 . 1 . . . . . 24 VAL CA . 51323 1
187 . 1 . 1 24 24 VAL CB C 13 32.6060 0.2 . 1 . . . . . 24 VAL CB . 51323 1
188 . 1 . 1 24 24 VAL N N 15 120.7340 0.1 . 1 . . . . . 24 VAL N . 51323 1
189 . 1 . 1 25 25 GLY H H 1 8.6110 0.02 . 1 . . . . . 25 GLY H . 51323 1
190 . 1 . 1 25 25 GLY HA2 H 1 3.9850 0.02 . 2 . . . . . 25 GLY HA2 . 51323 1
191 . 1 . 1 25 25 GLY C C 13 174.3280 0.2 . 1 . . . . . 25 GLY C . 51323 1
192 . 1 . 1 25 25 GLY CA C 13 45.2770 0.2 . 1 . . . . . 25 GLY CA . 51323 1
193 . 1 . 1 25 25 GLY N N 15 112.4640 0.1 . 1 . . . . . 25 GLY N . 51323 1
194 . 1 . 1 26 26 SER H H 1 8.3250 0.02 . 1 . . . . . 26 SER H . 51323 1
195 . 1 . 1 26 26 SER HA H 1 4.4400 0.02 . 1 . . . . . 26 SER HA . 51323 1
196 . 1 . 1 26 26 SER HB2 H 1 3.8790 0.02 . 2 . . . . . 26 SER HB2 . 51323 1
197 . 1 . 1 26 26 SER C C 13 174.5220 0.2 . 1 . . . . . 26 SER C . 51323 1
198 . 1 . 1 26 26 SER CA C 13 58.4360 0.2 . 1 . . . . . 26 SER CA . 51323 1
199 . 1 . 1 26 26 SER CB C 13 63.8680 0.2 . 1 . . . . . 26 SER CB . 51323 1
200 . 1 . 1 26 26 SER N N 15 115.6680 0.1 . 1 . . . . . 26 SER N . 51323 1
201 . 1 . 1 27 27 ASN H H 1 8.5930 0.02 . 1 . . . . . 27 ASN H . 51323 1
202 . 1 . 1 27 27 ASN HA H 1 4.7300 0.02 . 1 . . . . . 27 ASN HA . 51323 1
203 . 1 . 1 27 27 ASN HB2 H 1 2.8390 0.02 . 2 . . . . . 27 ASN HB2 . 51323 1
204 . 1 . 1 27 27 ASN HD21 H 1 7.7110 0.02 . 2 . . . . . 27 ASN HD21 . 51323 1
205 . 1 . 1 27 27 ASN HD22 H 1 7.0140 0.02 . 2 . . . . . 27 ASN HD22 . 51323 1
206 . 1 . 1 27 27 ASN C C 13 175.4650 0.2 . 1 . . . . . 27 ASN C . 51323 1
207 . 1 . 1 27 27 ASN CA C 13 53.2540 0.2 . 1 . . . . . 27 ASN CA . 51323 1
208 . 1 . 1 27 27 ASN CB C 13 38.5550 0.2 . 1 . . . . . 27 ASN CB . 51323 1
209 . 1 . 1 27 27 ASN N N 15 120.8930 0.1 . 1 . . . . . 27 ASN N . 51323 1
210 . 1 . 1 27 27 ASN ND2 N 15 113.2420 0.1 . 1 . . . . . 27 ASN ND2 . 51323 1
211 . 1 . 1 28 28 LYS H H 1 8.4570 0.02 . 1 . . . . . 28 LYS H . 51323 1
212 . 1 . 1 28 28 LYS HA H 1 4.2610 0.02 . 1 . . . . . 28 LYS HA . 51323 1
213 . 1 . 1 28 28 LYS HB2 H 1 1.7700 0.02 . 2 . . . . . 28 LYS HB2 . 51323 1
214 . 1 . 1 28 28 LYS HG2 H 1 1.4320 0.02 . 2 . . . . . 28 LYS HG2 . 51323 1
215 . 1 . 1 28 28 LYS C C 13 177.1590 0.2 . 1 . . . . . 28 LYS C . 51323 1
216 . 1 . 1 28 28 LYS CA C 13 56.7330 0.2 . 1 . . . . . 28 LYS CA . 51323 1
217 . 1 . 1 28 28 LYS CB C 13 32.5370 0.2 . 1 . . . . . 28 LYS CB . 51323 1
218 . 1 . 1 28 28 LYS N N 15 121.9560 0.1 . 1 . . . . . 28 LYS N . 51323 1
219 . 1 . 1 29 29 GLY H H 1 8.4870 0.02 . 1 . . . . . 29 GLY H . 51323 1
220 . 1 . 1 29 29 GLY HA2 H 1 3.9240 0.02 . 2 . . . . . 29 GLY HA2 . 51323 1
221 . 1 . 1 29 29 GLY C C 13 173.7170 0.2 . 1 . . . . . 29 GLY C . 51323 1
222 . 1 . 1 29 29 GLY CA C 13 45.1040 0.2 . 1 . . . . . 29 GLY CA . 51323 1
223 . 1 . 1 29 29 GLY N N 15 109.8420 0.1 . 1 . . . . . 29 GLY N . 51323 1
224 . 1 . 1 30 30 ALA H H 1 8.1310 0.02 . 1 . . . . . 30 ALA H . 51323 1
225 . 1 . 1 30 30 ALA HA H 1 4.3030 0.02 . 1 . . . . . 30 ALA HA . 51323 1
226 . 1 . 1 30 30 ALA HB1 H 1 1.3560 0.02 . 1 . . . . . 30 ALA HB1 . 51323 1
227 . 1 . 1 30 30 ALA HB2 H 1 1.3560 0.02 . 1 . . . . . 30 ALA HB1 . 51323 1
228 . 1 . 1 30 30 ALA HB3 H 1 1.3560 0.02 . 1 . . . . . 30 ALA HB1 . 51323 1
229 . 1 . 1 30 30 ALA C C 13 177.6610 0.2 . 1 . . . . . 30 ALA C . 51323 1
230 . 1 . 1 30 30 ALA CA C 13 52.4080 0.2 . 1 . . . . . 30 ALA CA . 51323 1
231 . 1 . 1 30 30 ALA CB C 13 19.3160 0.2 . 1 . . . . . 30 ALA CB . 51323 1
232 . 1 . 1 30 30 ALA N N 15 123.7380 0.1 . 1 . . . . . 30 ALA N . 51323 1
233 . 1 . 1 31 31 ILE H H 1 8.2970 0.02 . 1 . . . . . 31 ILE H . 51323 1
234 . 1 . 1 31 31 ILE HA H 1 4.1550 0.02 . 1 . . . . . 31 ILE HA . 51323 1
235 . 1 . 1 31 31 ILE HB H 1 1.8430 0.02 . 1 . . . . . 31 ILE HB . 51323 1
236 . 1 . 1 31 31 ILE C C 13 176.4110 0.2 . 1 . . . . . 31 ILE C . 51323 1
237 . 1 . 1 31 31 ILE CA C 13 61.0010 0.2 . 1 . . . . . 31 ILE CA . 51323 1
238 . 1 . 1 31 31 ILE CB C 13 38.3820 0.2 . 1 . . . . . 31 ILE CB . 51323 1
239 . 1 . 1 31 31 ILE N N 15 121.0100 0.1 . 1 . . . . . 31 ILE N . 51323 1
240 . 1 . 1 32 32 ILE H H 1 8.3890 0.02 . 1 . . . . . 32 ILE H . 51323 1
241 . 1 . 1 32 32 ILE HA H 1 4.1600 0.02 . 1 . . . . . 32 ILE HA . 51323 1
242 . 1 . 1 32 32 ILE HB H 1 1.8430 0.02 . 1 . . . . . 32 ILE HB . 51323 1
243 . 1 . 1 32 32 ILE C C 13 176.6140 0.2 . 1 . . . . . 32 ILE C . 51323 1
244 . 1 . 1 32 32 ILE CA C 13 61.1110 0.2 . 1 . . . . . 32 ILE CA . 51323 1
245 . 1 . 1 32 32 ILE CB C 13 38.5000 0.2 . 1 . . . . . 32 ILE CB . 51323 1
246 . 1 . 1 32 32 ILE N N 15 126.5170 0.1 . 1 . . . . . 32 ILE N . 51323 1
247 . 1 . 1 33 33 GLY H H 1 8.5450 0.02 . 1 . . . . . 33 GLY H . 51323 1
248 . 1 . 1 33 33 GLY HA2 H 1 3.9260 0.02 . 2 . . . . . 33 GLY HA2 . 51323 1
249 . 1 . 1 33 33 GLY C C 13 173.5520 0.2 . 1 . . . . . 33 GLY C . 51323 1
250 . 1 . 1 33 33 GLY CA C 13 45.1020 0.2 . 1 . . . . . 33 GLY CA . 51323 1
251 . 1 . 1 33 33 GLY N N 15 113.2990 0.1 . 1 . . . . . 33 GLY N . 51323 1
252 . 1 . 1 34 34 LEU H H 1 8.1690 0.02 . 1 . . . . . 34 LEU H . 51323 1
253 . 1 . 1 34 34 LEU HA H 1 4.3570 0.02 . 1 . . . . . 34 LEU HA . 51323 1
254 . 1 . 1 34 34 LEU HB2 H 1 1.5880 0.02 . 2 . . . . . 34 LEU HB2 . 51323 1
255 . 1 . 1 34 34 LEU C C 13 177.0050 0.2 . 1 . . . . . 34 LEU C . 51323 1
256 . 1 . 1 34 34 LEU CA C 13 55.0950 0.2 . 1 . . . . . 34 LEU CA . 51323 1
257 . 1 . 1 34 34 LEU CB C 13 42.7960 0.2 . 1 . . . . . 34 LEU CB . 51323 1
258 . 1 . 1 34 34 LEU N N 15 121.9170 0.1 . 1 . . . . . 34 LEU N . 51323 1
259 . 1 . 1 35 35 MET H H 1 8.5300 0.02 . 1 . . . . . 35 MET H . 51323 1
260 . 1 . 1 35 35 MET HA H 1 4.6250 0.02 . 1 . . . . . 35 MET HA . 51323 1
261 . 1 . 1 35 35 MET HB2 H 1 1.9960 0.02 . 2 . . . . . 35 MET HB2 . 51323 1
262 . 1 . 1 35 35 MET HG2 H 1 2.4880 0.02 . 2 . . . . . 35 MET HG2 . 51323 1
263 . 1 . 1 35 35 MET C C 13 176.1710 0.2 . 1 . . . . . 35 MET C . 51323 1
264 . 1 . 1 35 35 MET CA C 13 55.1370 0.2 . 1 . . . . . 35 MET CA . 51323 1
265 . 1 . 1 35 35 MET CB C 13 33.1100 0.2 . 1 . . . . . 35 MET CB . 51323 1
266 . 1 . 1 35 35 MET N N 15 122.1430 0.1 . 1 . . . . . 35 MET N . 51323 1
267 . 1 . 1 36 36 VAL H H 1 8.4590 0.02 . 1 . . . . . 36 VAL H . 51323 1
268 . 1 . 1 36 36 VAL HA H 1 4.1360 0.02 . 1 . . . . . 36 VAL HA . 51323 1
269 . 1 . 1 36 36 VAL HB H 1 2.0440 0.02 . 1 . . . . . 36 VAL HB . 51323 1
270 . 1 . 1 36 36 VAL HG11 H 1 0.9300 0.02 . 2 . . . . . 36 VAL HG11 . 51323 1
271 . 1 . 1 36 36 VAL HG12 H 1 0.9300 0.02 . 2 . . . . . 36 VAL HG11 . 51323 1
272 . 1 . 1 36 36 VAL HG13 H 1 0.9300 0.02 . 2 . . . . . 36 VAL HG11 . 51323 1
273 . 1 . 1 36 36 VAL C C 13 176.9190 0.2 . 1 . . . . . 36 VAL C . 51323 1
274 . 1 . 1 36 36 VAL CA C 13 62.4600 0.2 . 1 . . . . . 36 VAL CA . 51323 1
275 . 1 . 1 36 36 VAL CB C 13 33.1060 0.2 . 1 . . . . . 36 VAL CB . 51323 1
276 . 1 . 1 36 36 VAL N N 15 123.2560 0.1 . 1 . . . . . 36 VAL N . 51323 1
277 . 1 . 1 37 37 GLY H H 1 8.8600 0.02 . 1 . . . . . 37 GLY H . 51323 1
278 . 1 . 1 37 37 GLY HA2 H 1 3.9550 0.02 . 2 . . . . . 37 GLY HA2 . 51323 1
279 . 1 . 1 37 37 GLY C C 13 174.8070 0.2 . 1 . . . . . 37 GLY C . 51323 1
280 . 1 . 1 37 37 GLY CA C 13 45.5940 0.2 . 1 . . . . . 37 GLY CA . 51323 1
281 . 1 . 1 37 37 GLY N N 15 114.6130 0.1 . 1 . . . . . 37 GLY N . 51323 1
282 . 1 . 1 38 38 GLY H H 1 8.4140 0.02 . 1 . . . . . 38 GLY H . 51323 1
283 . 1 . 1 38 38 GLY HA2 H 1 3.9500 0.02 . 2 . . . . . 38 GLY HA2 . 51323 1
284 . 1 . 1 38 38 GLY C C 13 173.6810 0.2 . 1 . . . . . 38 GLY C . 51323 1
285 . 1 . 1 38 38 GLY CA C 13 45.0710 0.2 . 1 . . . . . 38 GLY CA . 51323 1
286 . 1 . 1 38 38 GLY N N 15 107.9920 0.1 . 1 . . . . . 38 GLY N . 51323 1
287 . 1 . 1 39 39 VAL H H 1 8.0070 0.02 . 1 . . . . . 39 VAL H . 51323 1
288 . 1 . 1 39 39 VAL HA H 1 4.1630 0.02 . 1 . . . . . 39 VAL HA . 51323 1
289 . 1 . 1 39 39 VAL HB H 1 2.0370 0.02 . 1 . . . . . 39 VAL HB . 51323 1
290 . 1 . 1 39 39 VAL HG11 H 1 0.9070 0.02 . 2 . . . . . 39 VAL HG11 . 51323 1
291 . 1 . 1 39 39 VAL HG12 H 1 0.9070 0.02 . 2 . . . . . 39 VAL HG11 . 51323 1
292 . 1 . 1 39 39 VAL HG13 H 1 0.9070 0.02 . 2 . . . . . 39 VAL HG11 . 51323 1
293 . 1 . 1 39 39 VAL C C 13 175.7070 0.2 . 1 . . . . . 39 VAL C . 51323 1
294 . 1 . 1 39 39 VAL CA C 13 61.9020 0.2 . 1 . . . . . 39 VAL CA . 51323 1
295 . 1 . 1 39 39 VAL CB C 13 33.3260 0.2 . 1 . . . . . 39 VAL CB . 51323 1
296 . 1 . 1 39 39 VAL N N 15 119.9660 0.1 . 1 . . . . . 39 VAL N . 51323 1
297 . 1 . 1 40 40 VAL H H 1 8.5050 0.02 . 1 . . . . . 40 VAL H . 51323 1
298 . 1 . 1 40 40 VAL HA H 1 4.1210 0.02 . 1 . . . . . 40 VAL HA . 51323 1
299 . 1 . 1 40 40 VAL HB H 1 1.9700 0.02 . 1 . . . . . 40 VAL HB . 51323 1
300 . 1 . 1 40 40 VAL HG11 H 1 0.8880 0.02 . 2 . . . . . 40 VAL HG11 . 51323 1
301 . 1 . 1 40 40 VAL HG12 H 1 0.8880 0.02 . 2 . . . . . 40 VAL HG11 . 51323 1
302 . 1 . 1 40 40 VAL HG13 H 1 0.8880 0.02 . 2 . . . . . 40 VAL HG11 . 51323 1
303 . 1 . 1 40 40 VAL C C 13 176.0740 0.2 . 1 . . . . . 40 VAL C . 51323 1
304 . 1 . 1 40 40 VAL CA C 13 62.3660 0.2 . 1 . . . . . 40 VAL CA . 51323 1
305 . 1 . 1 40 40 VAL CB C 13 32.6330 0.2 . 1 . . . . . 40 VAL CB . 51323 1
306 . 1 . 1 40 40 VAL N N 15 126.2910 0.1 . 1 . . . . . 40 VAL N . 51323 1
307 . 1 . 1 41 41 ILE H H 1 8.5530 0.02 . 1 . . . . . 41 ILE H . 51323 1
308 . 1 . 1 41 41 ILE HA H 1 4.1690 0.02 . 1 . . . . . 41 ILE HA . 51323 1
309 . 1 . 1 41 41 ILE HB H 1 1.8680 0.02 . 1 . . . . . 41 ILE HB . 51323 1
310 . 1 . 1 41 41 ILE C C 13 175.7820 0.2 . 1 . . . . . 41 ILE C . 51323 1
311 . 1 . 1 41 41 ILE CA C 13 60.5050 0.2 . 1 . . . . . 41 ILE CA . 51323 1
312 . 1 . 1 41 41 ILE CB C 13 38.4640 0.2 . 1 . . . . . 41 ILE CB . 51323 1
313 . 1 . 1 41 41 ILE N N 15 127.6740 0.1 . 1 . . . . . 41 ILE N . 51323 1
314 . 1 . 1 42 42 ALA H H 1 8.7130 0.02 . 1 . . . . . 42 ALA H . 51323 1
315 . 1 . 1 42 42 ALA HA H 1 4.3190 0.02 . 1 . . . . . 42 ALA HA . 51323 1
316 . 1 . 1 42 42 ALA HB1 H 1 1.4030 0.02 . 1 . . . . . 42 ALA HB1 . 51323 1
317 . 1 . 1 42 42 ALA HB2 H 1 1.4030 0.02 . 1 . . . . . 42 ALA HB1 . 51323 1
318 . 1 . 1 42 42 ALA HB3 H 1 1.4030 0.02 . 1 . . . . . 42 ALA HB1 . 51323 1
319 . 1 . 1 42 42 ALA CA C 13 51.5660 0.2 . 1 . . . . . 42 ALA CA . 51323 1
320 . 1 . 1 42 42 ALA CB C 13 18.8780 0.2 . 1 . . . . . 42 ALA CB . 51323 1
321 . 1 . 1 42 42 ALA N N 15 130.3410 0.1 . 1 . . . . . 42 ALA N . 51323 1
stop_
save_