Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 18121
_Assigned_chem_shift_list.ID 2
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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 '1H, 13C and 15N chemical shifts for backbone atoms at 15 C.'
_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
20 '2D 1H-15N HSQC' . . . 18121 2
21 '3D HNCO' . . . 18121 2
22 '3D HNCA' . . . 18121 2
23 '3D HNCACB' . . . 18121 2
24 '3D CBCA(CO)NH' . . . 18121 2
25 '3D HBHA(CO)NH' . . . 18121 2
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 2 2 GLY HA2 H 1 3.982 0.01 . 2 . . . . 2 GLY QA . 18121 2
2 . 1 1 2 2 GLY HA3 H 1 3.982 0.01 . 2 . . . . 2 GLY QA . 18121 2
3 . 1 1 2 2 GLY CA C 13 45.135 0.1 . 1 . . . . 2 GLY CA . 18121 2
4 . 1 1 3 3 HIS H H 1 8.473 0.01 . 1 . . . . 3 HIS H . 18121 2
5 . 1 1 3 3 HIS HA H 1 4.659 0.01 . 1 . . . . 3 HIS HA . 18121 2
6 . 1 1 3 3 HIS HB2 H 1 3.090 0.01 . 2 . . . . 3 HIS HB2 . 18121 2
7 . 1 1 3 3 HIS HB3 H 1 3.130 0.01 . 2 . . . . 3 HIS HB3 . 18121 2
8 . 1 1 3 3 HIS C C 13 175.304 0.1 . 1 . . . . 3 HIS C . 18121 2
9 . 1 1 3 3 HIS CA C 13 56.261 0.1 . 1 . . . . 3 HIS CA . 18121 2
10 . 1 1 3 3 HIS CB C 13 30.601 0.1 . 1 . . . . 3 HIS CB . 18121 2
11 . 1 1 3 3 HIS N N 15 119.620 0.1 . 1 . . . . 3 HIS N . 18121 2
12 . 1 1 4 4 MET H H 1 8.489 0.01 . 1 . . . . 4 MET H . 18121 2
13 . 1 1 4 4 MET HA H 1 4.464 0.01 . 1 . . . . 4 MET HA . 18121 2
14 . 1 1 4 4 MET HB2 H 1 1.980 0.01 . 2 . . . . 4 MET HB2 . 18121 2
15 . 1 1 4 4 MET HB3 H 1 2.054 0.01 . 2 . . . . 4 MET HB3 . 18121 2
16 . 1 1 4 4 MET C C 13 175.865 0.1 . 1 . . . . 4 MET C . 18121 2
17 . 1 1 4 4 MET CA C 13 55.463 0.1 . 1 . . . . 4 MET CA . 18121 2
18 . 1 1 4 4 MET CB C 13 32.801 0.1 . 1 . . . . 4 MET CB . 18121 2
19 . 1 1 4 4 MET N N 15 122.289 0.1 . 1 . . . . 4 MET N . 18121 2
20 . 1 1 5 5 GLN H H 1 8.604 0.01 . 1 . . . . 5 GLN H . 18121 2
21 . 1 1 5 5 GLN HA H 1 4.374 0.01 . 1 . . . . 5 GLN HA . 18121 2
22 . 1 1 5 5 GLN HB2 H 1 1.975 0.01 . 2 . . . . 5 GLN HB2 . 18121 2
23 . 1 1 5 5 GLN HB3 H 1 2.054 0.01 . 2 . . . . 5 GLN HB3 . 18121 2
24 . 1 1 5 5 GLN HE21 H 1 6.931 0.01 . 2 . . . . 5 GLN HE21 . 18121 2
25 . 1 1 5 5 GLN HE22 H 1 7.549 0.01 . 2 . . . . 5 GLN HE22 . 18121 2
26 . 1 1 5 5 GLN C C 13 175.837 0.1 . 1 . . . . 5 GLN C . 18121 2
27 . 1 1 5 5 GLN CA C 13 55.870 0.1 . 1 . . . . 5 GLN CA . 18121 2
28 . 1 1 5 5 GLN CB C 13 29.552 0.1 . 1 . . . . 5 GLN CB . 18121 2
29 . 1 1 5 5 GLN CG C 13 33.671 0.1 . 1 . . . . 5 GLN CG . 18121 2
30 . 1 1 5 5 GLN N N 15 122.842 0.1 . 1 . . . . 5 GLN N . 18121 2
31 . 1 1 5 5 GLN NE2 N 15 112.507 0.1 . 1 . . . . 5 GLN NE2 . 18121 2
32 . 1 1 6 6 THR H H 1 8.313 0.01 . 1 . . . . 6 THR H . 18121 2
33 . 1 1 6 6 THR HA H 1 4.285 0.01 . 1 . . . . 6 THR HA . 18121 2
34 . 1 1 6 6 THR HB H 1 4.176 0.01 . 1 . . . . 6 THR HB . 18121 2
35 . 1 1 6 6 THR C C 13 173.972 0.1 . 1 . . . . 6 THR C . 18121 2
36 . 1 1 6 6 THR CA C 13 61.912 0.1 . 1 . . . . 6 THR CA . 18121 2
37 . 1 1 6 6 THR CB C 13 69.894 0.1 . 1 . . . . 6 THR CB . 18121 2
38 . 1 1 6 6 THR N N 15 116.334 0.1 . 1 . . . . 6 THR N . 18121 2
39 . 1 1 7 7 SER H H 1 8.132 0.01 . 1 . . . . 7 SER H . 18121 2
40 . 1 1 7 7 SER HA H 1 4.476 0.01 . 1 . . . . 7 SER HA . 18121 2
41 . 1 1 7 7 SER HB2 H 1 3.783 0.01 . 2 . . . . 7 SER QB . 18121 2
42 . 1 1 7 7 SER HB3 H 1 3.783 0.01 . 2 . . . . 7 SER QB . 18121 2
43 . 1 1 7 7 SER C C 13 172.823 0.1 . 1 . . . . 7 SER C . 18121 2
44 . 1 1 7 7 SER CA C 13 57.891 0.1 . 1 . . . . 7 SER CA . 18121 2
45 . 1 1 7 7 SER CB C 13 64.345 0.1 . 1 . . . . 7 SER CB . 18121 2
46 . 1 1 7 7 SER N N 15 118.332 0.1 . 1 . . . . 7 SER N . 18121 2
47 . 1 1 8 8 PHE H H 1 7.663 0.01 . 1 . . . . 8 PHE H . 18121 2
48 . 1 1 8 8 PHE C C 13 174.345 0.1 . 1 . . . . 8 PHE C . 18121 2
49 . 1 1 8 8 PHE CA C 13 57.553 0.1 . 1 . . . . 8 PHE CA . 18121 2
50 . 1 1 8 8 PHE CB C 13 41.984 0.1 . 1 . . . . 8 PHE CB . 18121 2
51 . 1 1 8 8 PHE N N 15 119.702 0.1 . 1 . . . . 8 PHE N . 18121 2
52 . 1 1 9 9 LYS H H 1 9.098 0.01 . 1 . . . . 9 LYS H . 18121 2
53 . 1 1 9 9 LYS HA H 1 4.714 0.01 . 1 . . . . 9 LYS HA . 18121 2
54 . 1 1 9 9 LYS HB2 H 1 1.840 0.01 . 2 . . . . 9 LYS QB . 18121 2
55 . 1 1 9 9 LYS HB3 H 1 1.840 0.01 . 2 . . . . 9 LYS QB . 18121 2
56 . 1 1 9 9 LYS C C 13 175.671 0.1 . 1 . . . . 9 LYS C . 18121 2
57 . 1 1 9 9 LYS CA C 13 54.072 0.1 . 1 . . . . 9 LYS CA . 18121 2
58 . 1 1 9 9 LYS CB C 13 35.377 0.1 . 1 . . . . 9 LYS CB . 18121 2
59 . 1 1 9 9 LYS N N 15 121.152 0.1 . 1 . . . . 9 LYS N . 18121 2
60 . 1 1 10 10 THR H H 1 8.439 0.01 . 1 . . . . 10 THR H . 18121 2
61 . 1 1 10 10 THR HA H 1 3.654 0.01 . 1 . . . . 10 THR HA . 18121 2
62 . 1 1 10 10 THR C C 13 175.699 0.1 . 1 . . . . 10 THR C . 18121 2
63 . 1 1 10 10 THR CA C 13 65.571 0.1 . 1 . . . . 10 THR CA . 18121 2
64 . 1 1 10 10 THR CB C 13 68.656 0.1 . 1 . . . . 10 THR CB . 18121 2
65 . 1 1 10 10 THR N N 15 117.002 0.1 . 1 . . . . 10 THR N . 18121 2
66 . 1 1 11 11 GLY H H 1 9.458 0.01 . 1 . . . . 11 GLY H . 18121 2
67 . 1 1 11 11 GLY HA2 H 1 3.885 0.01 . 2 . . . . 11 GLY HA2 . 18121 2
68 . 1 1 11 11 GLY HA3 H 1 4.516 0.01 . 2 . . . . 11 GLY HA3 . 18121 2
69 . 1 1 11 11 GLY C C 13 174.886 0.1 . 1 . . . . 11 GLY C . 18121 2
70 . 1 1 11 11 GLY CA C 13 44.823 0.1 . 1 . . . . 11 GLY CA . 18121 2
71 . 1 1 11 11 GLY N N 15 117.451 0.1 . 1 . . . . 11 GLY N . 18121 2
72 . 1 1 12 12 ASP H H 1 8.287 0.01 . 1 . . . . 12 ASP H . 18121 2
73 . 1 1 12 12 ASP C C 13 175.266 0.1 . 1 . . . . 12 ASP C . 18121 2
74 . 1 1 12 12 ASP CA C 13 55.428 0.1 . 1 . . . . 12 ASP CA . 18121 2
75 . 1 1 12 12 ASP CB C 13 41.679 0.1 . 1 . . . . 12 ASP CB . 18121 2
76 . 1 1 12 12 ASP N N 15 122.138 0.1 . 1 . . . . 12 ASP N . 18121 2
77 . 1 1 13 13 LYS H H 1 8.574 0.01 . 1 . . . . 13 LYS H . 18121 2
78 . 1 1 13 13 LYS HA H 1 5.418 0.01 . 1 . . . . 13 LYS HA . 18121 2
79 . 1 1 13 13 LYS C C 13 175.713 0.1 . 1 . . . . 13 LYS C . 18121 2
80 . 1 1 13 13 LYS CA C 13 54.572 0.1 . 1 . . . . 13 LYS CA . 18121 2
81 . 1 1 13 13 LYS CB C 13 34.938 0.1 . 1 . . . . 13 LYS CB . 18121 2
82 . 1 1 13 13 LYS N N 15 118.579 0.1 . 1 . . . . 13 LYS N . 18121 2
83 . 1 1 14 14 ALA H H 1 8.772 0.01 . 1 . . . . 14 ALA H . 18121 2
84 . 1 1 14 14 ALA HA H 1 4.723 0.01 . 1 . . . . 14 ALA HA . 18121 2
85 . 1 1 14 14 ALA HB1 H 1 0.800 0.01 . 1 . . . . 14 ALA QB . 18121 2
86 . 1 1 14 14 ALA HB2 H 1 0.800 0.01 . 1 . . . . 14 ALA QB . 18121 2
87 . 1 1 14 14 ALA HB3 H 1 0.800 0.01 . 1 . . . . 14 ALA QB . 18121 2
88 . 1 1 14 14 ALA C C 13 175.011 0.1 . 1 . . . . 14 ALA C . 18121 2
89 . 1 1 14 14 ALA CA C 13 50.933 0.1 . 1 . . . . 14 ALA CA . 18121 2
90 . 1 1 14 14 ALA CB C 13 23.212 0.1 . 1 . . . . 14 ALA CB . 18121 2
91 . 1 1 14 14 ALA N N 15 122.007 0.1 . 1 . . . . 14 ALA N . 18121 2
92 . 1 1 15 15 VAL H H 1 9.009 0.01 . 1 . . . . 15 VAL H . 18121 2
93 . 1 1 15 15 VAL C C 13 174.760 0.1 . 1 . . . . 15 VAL C . 18121 2
94 . 1 1 15 15 VAL CA C 13 61.679 0.1 . 1 . . . . 15 VAL CA . 18121 2
95 . 1 1 15 15 VAL N N 15 119.530 0.1 . 1 . . . . 15 VAL N . 18121 2
96 . 1 1 16 16 TYR H H 1 8.574 0.01 . 1 . . . . 16 TYR H . 18121 2
97 . 1 1 16 16 TYR CA C 13 53.998 0.1 . 1 . . . . 16 TYR CA . 18121 2
98 . 1 1 16 16 TYR N N 15 130.370 0.1 . 1 . . . . 16 TYR N . 18121 2
99 . 1 1 18 18 GLY H H 1 8.023 0.01 . 1 . . . . 18 GLY H . 18121 2
100 . 1 1 18 18 GLY HA2 H 1 3.691 0.01 . 2 . . . . 18 GLY HA2 . 18121 2
101 . 1 1 18 18 GLY C C 13 174.371 0.1 . 1 . . . . 18 GLY C . 18121 2
102 . 1 1 18 18 GLY CA C 13 45.486 0.1 . 1 . . . . 18 GLY CA . 18121 2
103 . 1 1 18 18 GLY N N 15 109.494 0.1 . 1 . . . . 18 GLY N . 18121 2
104 . 1 1 19 19 GLN H H 1 8.285 0.01 . 1 . . . . 19 GLN H . 18121 2
105 . 1 1 19 19 GLN HE21 H 1 6.653 0.01 . 2 . . . . 19 GLN HE21 . 18121 2
106 . 1 1 19 19 GLN HE22 H 1 7.407 0.01 . 2 . . . . 19 GLN HE22 . 18121 2
107 . 1 1 19 19 GLN C C 13 175.670 0.1 . 1 . . . . 19 GLN C . 18121 2
108 . 1 1 19 19 GLN CA C 13 55.370 0.1 . 1 . . . . 19 GLN CA . 18121 2
109 . 1 1 19 19 GLN CB C 13 30.833 0.1 . 1 . . . . 19 GLN CB . 18121 2
110 . 1 1 19 19 GLN N N 15 116.740 0.1 . 1 . . . . 19 GLN N . 18121 2
111 . 1 1 19 19 GLN NE2 N 15 110.735 0.1 . 1 . . . . 19 GLN NE2 . 18121 2
112 . 1 1 20 20 GLY H H 1 8.247 0.01 . 1 . . . . 20 GLY H . 18121 2
113 . 1 1 20 20 GLY C C 13 172.792 0.1 . 1 . . . . 20 GLY C . 18121 2
114 . 1 1 20 20 GLY CA C 13 44.313 0.1 . 1 . . . . 20 GLY CA . 18121 2
115 . 1 1 20 20 GLY N N 15 106.913 0.1 . 1 . . . . 20 GLY N . 18121 2
116 . 1 1 21 21 VAL H H 1 8.342 0.01 . 1 . . . . 21 VAL H . 18121 2
117 . 1 1 21 21 VAL HA H 1 4.225 0.01 . 1 . . . . 21 VAL HA . 18121 2
118 . 1 1 21 21 VAL C C 13 176.486 0.1 . 1 . . . . 21 VAL C . 18121 2
119 . 1 1 21 21 VAL CA C 13 63.618 0.1 . 1 . . . . 21 VAL CA . 18121 2
120 . 1 1 21 21 VAL N N 15 119.593 0.1 . 1 . . . . 21 VAL N . 18121 2
121 . 1 1 22 22 GLY H H 1 9.492 0.01 . 1 . . . . 22 GLY H . 18121 2
122 . 1 1 22 22 GLY C C 13 170.211 0.1 . 1 . . . . 22 GLY C . 18121 2
123 . 1 1 22 22 GLY CA C 13 44.800 0.1 . 1 . . . . 22 GLY CA . 18121 2
124 . 1 1 22 22 GLY N N 15 115.093 0.1 . 1 . . . . 22 GLY N . 18121 2
125 . 1 1 23 23 GLU H H 1 8.780 0.01 . 1 . . . . 23 GLU H . 18121 2
126 . 1 1 23 23 GLU HA H 1 5.123 0.01 . 1 . . . . 23 GLU HA . 18121 2
127 . 1 1 23 23 GLU C C 13 176.127 0.1 . 1 . . . . 23 GLU C . 18121 2
128 . 1 1 23 23 GLU CA C 13 53.449 0.1 . 1 . . . . 23 GLU CA . 18121 2
129 . 1 1 23 23 GLU CB C 13 33.740 0.1 . 1 . . . . 23 GLU CB . 18121 2
130 . 1 1 23 23 GLU N N 15 119.014 0.1 . 1 . . . . 23 GLU N . 18121 2
131 . 1 1 24 24 VAL H H 1 9.282 0.01 . 1 . . . . 24 VAL H . 18121 2
132 . 1 1 24 24 VAL C C 13 176.626 0.1 . 1 . . . . 24 VAL C . 18121 2
133 . 1 1 24 24 VAL CA C 13 63.541 0.1 . 1 . . . . 24 VAL CA . 18121 2
134 . 1 1 24 24 VAL N N 15 126.960 0.1 . 1 . . . . 24 VAL N . 18121 2
135 . 1 1 25 25 MET H H 1 9.663 0.01 . 1 . . . . 25 MET H . 18121 2
136 . 1 1 25 25 MET C C 13 176.651 0.1 . 1 . . . . 25 MET C . 18121 2
137 . 1 1 25 25 MET CA C 13 54.509 0.1 . 1 . . . . 25 MET CA . 18121 2
138 . 1 1 25 25 MET CB C 13 31.244 0.1 . 1 . . . . 25 MET CB . 18121 2
139 . 1 1 25 25 MET N N 15 128.652 0.1 . 1 . . . . 25 MET N . 18121 2
140 . 1 1 26 26 GLY H H 1 7.428 0.01 . 1 . . . . 26 GLY H . 18121 2
141 . 1 1 26 26 GLY HA2 H 1 4.026 0.01 . 2 . . . . 26 GLY HA2 . 18121 2
142 . 1 1 26 26 GLY HA3 H 1 4.361 0.01 . 2 . . . . 26 GLY HA3 . 18121 2
143 . 1 1 26 26 GLY C C 13 170.412 0.1 . 1 . . . . 26 GLY C . 18121 2
144 . 1 1 26 26 GLY CA C 13 44.503 0.1 . 1 . . . . 26 GLY CA . 18121 2
145 . 1 1 26 26 GLY N N 15 105.798 0.1 . 1 . . . . 26 GLY N . 18121 2
146 . 1 1 27 27 ILE H H 1 8.228 0.01 . 1 . . . . 27 ILE H . 18121 2
147 . 1 1 27 27 ILE HA H 1 4.959 0.01 . 1 . . . . 27 ILE HA . 18121 2
148 . 1 1 27 27 ILE C C 13 175.714 0.1 . 1 . . . . 27 ILE C . 18121 2
149 . 1 1 27 27 ILE CA C 13 59.862 0.1 . 1 . . . . 27 ILE CA . 18121 2
150 . 1 1 27 27 ILE CB C 13 40.332 0.1 . 1 . . . . 27 ILE CB . 18121 2
151 . 1 1 27 27 ILE N N 15 120.026 0.1 . 1 . . . . 27 ILE N . 18121 2
152 . 1 1 28 28 GLU H H 1 8.928 0.01 . 1 . . . . 28 GLU H . 18121 2
153 . 1 1 28 28 GLU C C 13 174.324 0.1 . 1 . . . . 28 GLU C . 18121 2
154 . 1 1 28 28 GLU CA C 13 54.158 0.1 . 1 . . . . 28 GLU CA . 18121 2
155 . 1 1 28 28 GLU N N 15 126.984 0.1 . 1 . . . . 28 GLU N . 18121 2
156 . 1 1 29 29 HIS H H 1 8.707 0.01 . 1 . . . . 29 HIS H . 18121 2
157 . 1 1 29 29 HIS C C 13 175.792 0.1 . 1 . . . . 29 HIS C . 18121 2
158 . 1 1 29 29 HIS CA C 13 54.780 0.1 . 1 . . . . 29 HIS CA . 18121 2
159 . 1 1 29 29 HIS N N 15 121.396 0.1 . 1 . . . . 29 HIS N . 18121 2
160 . 1 1 30 30 THR H H 1 9.157 0.01 . 1 . . . . 30 THR H . 18121 2
161 . 1 1 30 30 THR C C 13 174.666 0.1 . 1 . . . . 30 THR C . 18121 2
162 . 1 1 30 30 THR CA C 13 60.318 0.1 . 1 . . . . 30 THR CA . 18121 2
163 . 1 1 30 30 THR CB C 13 71.583 0.1 . 1 . . . . 30 THR CB . 18121 2
164 . 1 1 30 30 THR N N 15 116.323 0.1 . 1 . . . . 30 THR N . 18121 2
165 . 1 1 31 31 GLU H H 1 8.681 0.01 . 1 . . . . 31 GLU H . 18121 2
166 . 1 1 31 31 GLU HA H 1 4.941 0.01 . 1 . . . . 31 GLU HA . 18121 2
167 . 1 1 31 31 GLU HB2 H 1 1.872 0.01 . 2 . . . . 31 GLU QB . 18121 2
168 . 1 1 31 31 GLU HB3 H 1 1.872 0.01 . 2 . . . . 31 GLU QB . 18121 2
169 . 1 1 31 31 GLU C C 13 175.505 0.1 . 1 . . . . 31 GLU C . 18121 2
170 . 1 1 31 31 GLU CA C 13 55.832 0.1 . 1 . . . . 31 GLU CA . 18121 2
171 . 1 1 31 31 GLU CB C 13 31.553 0.1 . 1 . . . . 31 GLU CB . 18121 2
172 . 1 1 31 31 GLU N N 15 123.476 0.1 . 1 . . . . 31 GLU N . 18121 2
173 . 1 1 32 32 VAL H H 1 8.671 0.01 . 1 . . . . 32 VAL H . 18121 2
174 . 1 1 32 32 VAL C C 13 174.162 0.1 . 1 . . . . 32 VAL C . 18121 2
175 . 1 1 32 32 VAL CA C 13 61.972 0.1 . 1 . . . . 32 VAL CA . 18121 2
176 . 1 1 32 32 VAL CB C 13 34.436 0.1 . 1 . . . . 32 VAL CB . 18121 2
177 . 1 1 32 32 VAL N N 15 125.703 0.1 . 1 . . . . 32 VAL N . 18121 2
178 . 1 1 33 33 ALA H H 1 9.298 0.01 . 1 . . . . 33 ALA H . 18121 2
179 . 1 1 33 33 ALA C C 13 177.496 0.1 . 1 . . . . 33 ALA C . 18121 2
180 . 1 1 33 33 ALA CA C 13 52.976 0.1 . 1 . . . . 33 ALA CA . 18121 2
181 . 1 1 33 33 ALA CB C 13 17.227 0.1 . 1 . . . . 33 ALA CB . 18121 2
182 . 1 1 33 33 ALA N N 15 131.327 0.1 . 1 . . . . 33 ALA N . 18121 2
183 . 1 1 34 34 GLY H H 1 8.697 0.01 . 1 . . . . 34 GLY H . 18121 2
184 . 1 1 34 34 GLY HA2 H 1 3.678 0.01 . 2 . . . . 34 GLY HA2 . 18121 2
185 . 1 1 34 34 GLY HA3 H 1 4.145 0.01 . 2 . . . . 34 GLY HA3 . 18121 2
186 . 1 1 34 34 GLY C C 13 173.891 0.1 . 1 . . . . 34 GLY C . 18121 2
187 . 1 1 34 34 GLY CA C 13 45.462 0.1 . 1 . . . . 34 GLY CA . 18121 2
188 . 1 1 34 34 GLY N N 15 104.042 0.1 . 1 . . . . 34 GLY N . 18121 2
189 . 1 1 35 35 GLN H H 1 7.933 0.01 . 1 . . . . 35 GLN H . 18121 2
190 . 1 1 35 35 GLN HE21 H 1 6.938 0.01 . 2 . . . . 35 GLN HE21 . 18121 2
191 . 1 1 35 35 GLN HE22 H 1 7.637 0.01 . 2 . . . . 35 GLN HE22 . 18121 2
192 . 1 1 35 35 GLN C C 13 174.808 0.1 . 1 . . . . 35 GLN C . 18121 2
193 . 1 1 35 35 GLN CA C 13 53.968 0.1 . 1 . . . . 35 GLN CA . 18121 2
194 . 1 1 35 35 GLN CB C 13 30.834 0.1 . 1 . . . . 35 GLN CB . 18121 2
195 . 1 1 35 35 GLN CG C 13 33.582 0.1 . 1 . . . . 35 GLN CG . 18121 2
196 . 1 1 35 35 GLN N N 15 119.624 0.1 . 1 . . . . 35 GLN N . 18121 2
197 . 1 1 35 35 GLN NE2 N 15 112.725 0.1 . 1 . . . . 35 GLN NE2 . 18121 2
198 . 1 1 36 36 ARG H H 1 8.850 0.01 . 1 . . . . 36 ARG H . 18121 2
199 . 1 1 36 36 ARG HE H 1 7.199 0.01 . 1 . . . . 36 ARG HE . 18121 2
200 . 1 1 36 36 ARG C C 13 176.051 0.1 . 1 . . . . 36 ARG C . 18121 2
201 . 1 1 36 36 ARG CA C 13 56.596 0.1 . 1 . . . . 36 ARG CA . 18121 2
202 . 1 1 36 36 ARG CB C 13 30.892 0.1 . 1 . . . . 36 ARG CB . 18121 2
203 . 1 1 36 36 ARG CG C 13 27.521 0.1 . 1 . . . . 36 ARG CG . 18121 2
204 . 1 1 36 36 ARG CD C 13 43.323 0.1 . 1 . . . . 36 ARG CD . 18121 2
205 . 1 1 36 36 ARG CZ C 13 159.361 0.1 . 1 . . . . 36 ARG CZ . 18121 2
206 . 1 1 36 36 ARG N N 15 126.285 0.1 . 1 . . . . 36 ARG N . 18121 2
207 . 1 1 36 36 ARG NE N 15 84.206 0.1 . 1 . . . . 36 ARG NE . 18121 2
208 . 1 1 37 37 GLN H H 1 8.916 0.01 . 1 . . . . 37 GLN H . 18121 2
209 . 1 1 37 37 GLN HE21 H 1 6.892 0.01 . 2 . . . . 37 GLN HE21 . 18121 2
210 . 1 1 37 37 GLN HE22 H 1 7.390 0.01 . 2 . . . . 37 GLN HE22 . 18121 2
211 . 1 1 37 37 GLN C C 13 174.560 0.1 . 1 . . . . 37 GLN C . 18121 2
212 . 1 1 37 37 GLN CA C 13 54.853 0.1 . 1 . . . . 37 GLN CA . 18121 2
213 . 1 1 37 37 GLN N N 15 126.190 0.1 . 1 . . . . 37 GLN N . 18121 2
214 . 1 1 37 37 GLN NE2 N 15 111.988 0.1 . 1 . . . . 37 GLN NE2 . 18121 2
215 . 1 1 38 38 SER H H 1 8.365 0.01 . 1 . . . . 38 SER H . 18121 2
216 . 1 1 38 38 SER C C 13 173.615 0.1 . 1 . . . . 38 SER C . 18121 2
217 . 1 1 38 38 SER CA C 13 58.181 0.1 . 1 . . . . 38 SER CA . 18121 2
218 . 1 1 38 38 SER CB C 13 64.783 0.1 . 1 . . . . 38 SER CB . 18121 2
219 . 1 1 38 38 SER N N 15 118.314 0.1 . 1 . . . . 38 SER N . 18121 2
220 . 1 1 39 39 PHE H H 1 9.164 0.01 . 1 . . . . 39 PHE H . 18121 2
221 . 1 1 39 39 PHE C C 13 175.889 0.1 . 1 . . . . 39 PHE C . 18121 2
222 . 1 1 39 39 PHE CA C 13 56.546 0.1 . 1 . . . . 39 PHE CA . 18121 2
223 . 1 1 39 39 PHE N N 15 121.604 0.1 . 1 . . . . 39 PHE N . 18121 2
224 . 1 1 40 40 TYR H H 1 9.290 0.01 . 1 . . . . 40 TYR H . 18121 2
225 . 1 1 40 40 TYR CA C 13 58.589 0.1 . 1 . . . . 40 TYR CA . 18121 2
226 . 1 1 40 40 TYR N N 15 119.784 0.1 . 1 . . . . 40 TYR N . 18121 2
227 . 1 1 41 41 VAL H H 1 8.558 0.01 . 1 . . . . 41 VAL H . 18121 2
228 . 1 1 41 41 VAL N N 15 118.085 0.1 . 1 . . . . 41 VAL N . 18121 2
229 . 1 1 42 42 LEU C C 13 174.421 0.1 . 1 . . . . 42 LEU C . 18121 2
230 . 1 1 43 43 ARG H H 1 9.067 0.01 . 1 . . . . 43 ARG H . 18121 2
231 . 1 1 43 43 ARG HA H 1 5.074 0.01 . 1 . . . . 43 ARG HA . 18121 2
232 . 1 1 43 43 ARG HE H 1 7.156 0.01 . 1 . . . . 43 ARG HE . 18121 2
233 . 1 1 43 43 ARG C C 13 175.843 0.1 . 1 . . . . 43 ARG C . 18121 2
234 . 1 1 43 43 ARG CA C 13 53.885 0.1 . 1 . . . . 43 ARG CA . 18121 2
235 . 1 1 43 43 ARG CD C 13 43.470 0.1 . 1 . . . . 43 ARG CD . 18121 2
236 . 1 1 43 43 ARG CZ C 13 159.420 0.1 . 1 . . . . 43 ARG CZ . 18121 2
237 . 1 1 43 43 ARG N N 15 127.315 0.1 . 1 . . . . 43 ARG N . 18121 2
238 . 1 1 43 43 ARG NE N 15 83.222 0.1 . 1 . . . . 43 ARG NE . 18121 2
239 . 1 1 44 44 ILE H H 1 9.394 0.01 . 1 . . . . 44 ILE H . 18121 2
240 . 1 1 44 44 ILE C C 13 177.914 0.1 . 1 . . . . 44 ILE C . 18121 2
241 . 1 1 44 44 ILE CA C 13 59.253 0.1 . 1 . . . . 44 ILE CA . 18121 2
242 . 1 1 44 44 ILE N N 15 130.159 0.1 . 1 . . . . 44 ILE N . 18121 2
243 . 1 1 45 45 LEU H H 1 8.555 0.01 . 1 . . . . 45 LEU H . 18121 2
244 . 1 1 45 45 LEU C C 13 180.548 0.1 . 1 . . . . 45 LEU C . 18121 2
245 . 1 1 45 45 LEU CA C 13 58.618 0.1 . 1 . . . . 45 LEU CA . 18121 2
246 . 1 1 45 45 LEU CB C 13 41.048 0.1 . 1 . . . . 45 LEU CB . 18121 2
247 . 1 1 45 45 LEU N N 15 128.400 0.1 . 1 . . . . 45 LEU N . 18121 2
248 . 1 1 46 46 GLU H H 1 8.825 0.01 . 1 . . . . 46 GLU H . 18121 2
249 . 1 1 46 46 GLU C C 13 176.595 0.1 . 1 . . . . 46 GLU C . 18121 2
250 . 1 1 46 46 GLU CA C 13 59.327 0.1 . 1 . . . . 46 GLU CA . 18121 2
251 . 1 1 46 46 GLU CB C 13 30.213 0.1 . 1 . . . . 46 GLU CB . 18121 2
252 . 1 1 46 46 GLU N N 15 116.766 0.1 . 1 . . . . 46 GLU N . 18121 2
253 . 1 1 47 47 ASN H H 1 6.655 0.01 . 1 . . . . 47 ASN H . 18121 2
254 . 1 1 47 47 ASN HD21 H 1 6.845 0.01 . 2 . . . . 47 ASN HD21 . 18121 2
255 . 1 1 47 47 ASN HD22 H 1 7.503 0.01 . 2 . . . . 47 ASN HD22 . 18121 2
256 . 1 1 47 47 ASN C C 13 176.832 0.1 . 1 . . . . 47 ASN C . 18121 2
257 . 1 1 47 47 ASN CA C 13 52.007 0.1 . 1 . . . . 47 ASN CA . 18121 2
258 . 1 1 47 47 ASN CB C 13 40.066 0.1 . 1 . . . . 47 ASN CB . 18121 2
259 . 1 1 47 47 ASN N N 15 109.037 0.1 . 1 . . . . 47 ASN N . 18121 2
260 . 1 1 47 47 ASN ND2 N 15 110.530 0.1 . 1 . . . . 47 ASN ND2 . 18121 2
261 . 1 1 48 48 GLY H H 1 8.308 0.01 . 1 . . . . 48 GLY H . 18121 2
262 . 1 1 48 48 GLY C C 13 174.104 0.1 . 1 . . . . 48 GLY C . 18121 2
263 . 1 1 48 48 GLY CA C 13 46.315 0.1 . 1 . . . . 48 GLY CA . 18121 2
264 . 1 1 48 48 GLY N N 15 110.391 0.1 . 1 . . . . 48 GLY N . 18121 2
265 . 1 1 49 49 MET H H 1 8.167 0.01 . 1 . . . . 49 MET H . 18121 2
266 . 1 1 49 49 MET C C 13 174.688 0.1 . 1 . . . . 49 MET C . 18121 2
267 . 1 1 49 49 MET CA C 13 56.902 0.1 . 1 . . . . 49 MET CA . 18121 2
268 . 1 1 49 49 MET N N 15 121.848 0.1 . 1 . . . . 49 MET N . 18121 2
269 . 1 1 50 50 ARG H H 1 8.464 0.01 . 1 . . . . 50 ARG H . 18121 2
270 . 1 1 50 50 ARG N N 15 124.143 0.1 . 1 . . . . 50 ARG N . 18121 2
271 . 1 1 51 51 ILE H H 1 9.188 0.01 . 1 . . . . 51 ILE H . 18121 2
272 . 1 1 51 51 ILE C C 13 174.175 0.1 . 1 . . . . 51 ILE C . 18121 2
273 . 1 1 51 51 ILE N N 15 125.286 0.1 . 1 . . . . 51 ILE N . 18121 2
274 . 1 1 52 52 MET H H 1 8.124 0.01 . 1 . . . . 52 MET H . 18121 2
275 . 1 1 52 52 MET C C 13 176.027 0.1 . 1 . . . . 52 MET C . 18121 2
276 . 1 1 52 52 MET CA C 13 59.950 0.1 . 1 . . . . 52 MET CA . 18121 2
277 . 1 1 52 52 MET N N 15 119.189 0.1 . 1 . . . . 52 MET N . 18121 2
278 . 1 1 53 53 ILE H H 1 9.464 0.01 . 1 . . . . 53 ILE H . 18121 2
279 . 1 1 53 53 ILE CA C 13 58.036 0.1 . 1 . . . . 53 ILE CA . 18121 2
280 . 1 1 53 53 ILE N N 15 125.960 0.1 . 1 . . . . 53 ILE N . 18121 2
281 . 1 1 54 54 PRO C C 13 178.157 0.1 . 1 . . . . 54 PRO C . 18121 2
282 . 1 1 54 54 PRO CA C 13 63.405 0.1 . 1 . . . . 54 PRO CA . 18121 2
283 . 1 1 55 55 ILE H H 1 7.831 0.01 . 1 . . . . 55 ILE H . 18121 2
284 . 1 1 55 55 ILE CA C 13 64.501 0.1 . 1 . . . . 55 ILE CA . 18121 2
285 . 1 1 55 55 ILE N N 15 121.825 0.1 . 1 . . . . 55 ILE N . 18121 2
286 . 1 1 56 56 ASN HD21 H 1 6.955 0.01 . 2 . . . . 56 ASN HD21 . 18121 2
287 . 1 1 56 56 ASN HD22 H 1 7.696 0.01 . 2 . . . . 56 ASN HD22 . 18121 2
288 . 1 1 56 56 ASN ND2 N 15 112.526 0.1 . 1 . . . . 56 ASN ND2 . 18121 2
289 . 1 1 58 58 VAL C C 13 176.845 0.1 . 1 . . . . 58 VAL C . 18121 2
290 . 1 1 59 59 GLY H H 1 8.797 0.01 . 1 . . . . 59 GLY H . 18121 2
291 . 1 1 59 59 GLY C C 13 175.296 0.1 . 1 . . . . 59 GLY C . 18121 2
292 . 1 1 59 59 GLY CA C 13 45.962 0.1 . 1 . . . . 59 GLY CA . 18121 2
293 . 1 1 59 59 GLY N N 15 110.068 0.1 . 1 . . . . 59 GLY N . 18121 2
294 . 1 1 60 60 SER H H 1 8.058 0.01 . 1 . . . . 60 SER H . 18121 2
295 . 1 1 60 60 SER CA C 13 59.272 0.1 . 1 . . . . 60 SER CA . 18121 2
296 . 1 1 60 60 SER N N 15 116.013 0.1 . 1 . . . . 60 SER N . 18121 2
297 . 1 1 61 61 VAL C C 13 176.845 0.1 . 1 . . . . 61 VAL C . 18121 2
298 . 1 1 62 62 GLY H H 1 8.764 0.01 . 1 . . . . 62 GLY H . 18121 2
299 . 1 1 62 62 GLY C C 13 174.250 0.1 . 1 . . . . 62 GLY C . 18121 2
300 . 1 1 62 62 GLY CA C 13 45.422 0.1 . 1 . . . . 62 GLY CA . 18121 2
301 . 1 1 62 62 GLY N N 15 113.376 0.1 . 1 . . . . 62 GLY N . 18121 2
302 . 1 1 63 63 LEU H H 1 7.851 0.01 . 1 . . . . 63 LEU H . 18121 2
303 . 1 1 63 63 LEU CA C 13 55.313 0.1 . 1 . . . . 63 LEU CA . 18121 2
304 . 1 1 63 63 LEU N N 15 119.685 0.1 . 1 . . . . 63 LEU N . 18121 2
305 . 1 1 64 64 ARG HE H 1 7.322 0.01 . 1 . . . . 64 ARG HE . 18121 2
306 . 1 1 64 64 ARG C C 13 175.215 0.1 . 1 . . . . 64 ARG C . 18121 2
307 . 1 1 64 64 ARG CA C 13 54.750 0.1 . 1 . . . . 64 ARG CA . 18121 2
308 . 1 1 64 64 ARG CB C 13 33.015 0.1 . 1 . . . . 64 ARG CB . 18121 2
309 . 1 1 64 64 ARG CG C 13 26.775 0.1 . 1 . . . . 64 ARG CG . 18121 2
310 . 1 1 64 64 ARG CD C 13 43.462 0.1 . 1 . . . . 64 ARG CD . 18121 2
311 . 1 1 64 64 ARG CZ C 13 159.490 0.1 . 1 . . . . 64 ARG CZ . 18121 2
312 . 1 1 64 64 ARG NE N 15 84.624 0.1 . 1 . . . . 64 ARG NE . 18121 2
313 . 1 1 65 65 GLU H H 1 8.999 0.01 . 1 . . . . 65 GLU H . 18121 2
314 . 1 1 65 65 GLU HA H 1 4.521 0.01 . 1 . . . . 65 GLU HA . 18121 2
315 . 1 1 65 65 GLU HB3 H 1 2.069 0.01 . 2 . . . . 65 GLU HB3 . 18121 2
316 . 1 1 65 65 GLU C C 13 176.086 0.1 . 1 . . . . 65 GLU C . 18121 2
317 . 1 1 65 65 GLU CA C 13 56.657 0.1 . 1 . . . . 65 GLU CA . 18121 2
318 . 1 1 65 65 GLU CB C 13 30.516 0.1 . 1 . . . . 65 GLU CB . 18121 2
319 . 1 1 65 65 GLU N N 15 122.597 0.1 . 1 . . . . 65 GLU N . 18121 2
320 . 1 1 66 66 ILE H H 1 8.453 0.01 . 1 . . . . 66 ILE H . 18121 2
321 . 1 1 66 66 ILE HA H 1 4.155 0.01 . 1 . . . . 66 ILE HA . 18121 2
322 . 1 1 66 66 ILE HB H 1 1.786 0.01 . 1 . . . . 66 ILE HB . 18121 2
323 . 1 1 66 66 ILE C C 13 175.897 0.1 . 1 . . . . 66 ILE C . 18121 2
324 . 1 1 66 66 ILE CA C 13 61.118 0.1 . 1 . . . . 66 ILE CA . 18121 2
325 . 1 1 66 66 ILE CB C 13 38.745 0.1 . 1 . . . . 66 ILE CB . 18121 2
326 . 1 1 66 66 ILE N N 15 122.060 0.1 . 1 . . . . 66 ILE N . 18121 2
327 . 1 1 67 67 ILE H H 1 8.468 0.01 . 1 . . . . 67 ILE H . 18121 2
328 . 1 1 67 67 ILE HA H 1 4.289 0.01 . 1 . . . . 67 ILE HA . 18121 2
329 . 1 1 67 67 ILE HB H 1 1.876 0.01 . 1 . . . . 67 ILE HB . 18121 2
330 . 1 1 67 67 ILE C C 13 176.118 0.1 . 1 . . . . 67 ILE C . 18121 2
331 . 1 1 67 67 ILE CA C 13 60.729 0.1 . 1 . . . . 67 ILE CA . 18121 2
332 . 1 1 67 67 ILE CB C 13 38.712 0.1 . 1 . . . . 67 ILE CB . 18121 2
333 . 1 1 67 67 ILE N N 15 126.358 0.1 . 1 . . . . 67 ILE N . 18121 2
334 . 1 1 68 68 SER H H 1 8.574 0.01 . 1 . . . . 68 SER H . 18121 2
335 . 1 1 68 68 SER HA H 1 4.502 0.01 . 1 . . . . 68 SER HA . 18121 2
336 . 1 1 68 68 SER HB2 H 1 3.857 0.01 . 2 . . . . 68 SER QB . 18121 2
337 . 1 1 68 68 SER HB3 H 1 3.857 0.01 . 2 . . . . 68 SER QB . 18121 2
338 . 1 1 68 68 SER C C 13 174.525 0.1 . 1 . . . . 68 SER C . 18121 2
339 . 1 1 68 68 SER CA C 13 58.232 0.1 . 1 . . . . 68 SER CA . 18121 2
340 . 1 1 68 68 SER CB C 13 64.031 0.1 . 1 . . . . 68 SER CB . 18121 2
341 . 1 1 68 68 SER N N 15 120.963 0.1 . 1 . . . . 68 SER N . 18121 2
342 . 1 1 69 69 GLU H H 1 8.694 0.01 . 1 . . . . 69 GLU H . 18121 2
343 . 1 1 69 69 GLU HA H 1 4.338 0.01 . 1 . . . . 69 GLU HA . 18121 2
344 . 1 1 69 69 GLU HB2 H 1 1.938 0.01 . 2 . . . . 69 GLU HB2 . 18121 2
345 . 1 1 69 69 GLU HB3 H 1 2.124 0.01 . 2 . . . . 69 GLU HB3 . 18121 2
346 . 1 1 69 69 GLU C C 13 176.262 0.1 . 1 . . . . 69 GLU C . 18121 2
347 . 1 1 69 69 GLU CA C 13 56.808 0.1 . 1 . . . . 69 GLU CA . 18121 2
348 . 1 1 69 69 GLU CB C 13 30.319 0.1 . 1 . . . . 69 GLU CB . 18121 2
349 . 1 1 69 69 GLU N N 15 123.560 0.1 . 1 . . . . 69 GLU N . 18121 2
350 . 1 1 70 70 GLU H H 1 8.383 0.01 . 1 . . . . 70 GLU H . 18121 2
351 . 1 1 70 70 GLU HA H 1 4.331 0.01 . 1 . . . . 70 GLU HA . 18121 2
352 . 1 1 70 70 GLU HB2 H 1 1.896 0.01 . 2 . . . . 70 GLU HB2 . 18121 2
353 . 1 1 70 70 GLU HB3 H 1 2.113 0.01 . 2 . . . . 70 GLU HB3 . 18121 2
354 . 1 1 70 70 GLU CA C 13 56.441 0.1 . 1 . . . . 70 GLU CA . 18121 2
355 . 1 1 70 70 GLU CB C 13 30.738 0.1 . 1 . . . . 70 GLU CB . 18121 2
356 . 1 1 70 70 GLU N N 15 121.410 0.1 . 1 . . . . 70 GLU N . 18121 2
357 . 1 1 71 71 ASP H H 1 8.024 0.01 . 1 . . . . 71 ASP H . 18121 2
358 . 1 1 71 71 ASP HA H 1 4.384 0.01 . 1 . . . . 71 ASP HA . 18121 2
359 . 1 1 71 71 ASP HB2 H 1 2.578 0.01 . 2 . . . . 71 ASP HB2 . 18121 2
360 . 1 1 71 71 ASP CA C 13 56.168 0.1 . 1 . . . . 71 ASP CA . 18121 2
361 . 1 1 71 71 ASP CB C 13 42.197 0.1 . 1 . . . . 71 ASP CB . 18121 2
362 . 1 1 71 71 ASP N N 15 127.018 0.1 . 1 . . . . 71 ASP N . 18121 2
stop_
save_