Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6567
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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
3 '3D H(CCO)NH' 1 $sample_1 isotropic 6567 1
4 '3D C(CO)NH' 1 $sample_1 isotropic 6567 1
5 '2D 1H-15N HSQC' 1 $sample_1 isotropic 6567 1
6 '3D 15N-edited NOESY' 1 $sample_1 isotropic 6567 1
7 '3D 15N-edited TOCSY' 1 $sample_1 isotropic 6567 1
8 '3D HNHA' 1 $sample_1 isotropic 6567 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 $NMRPipe . . 6567 1
2 $Sparky . . 6567 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 THR HA H 1 4.499 . . 1 . . . . 476 THR HA . 6567 1
2 . 1 1 2 2 THR HB H 1 4.275 . . 1 . . . . 476 THR HB . 6567 1
3 . 1 1 2 2 THR HG21 H 1 1.235 . . 1 . . . . 476 THR HG2 . 6567 1
4 . 1 1 2 2 THR HG22 H 1 1.235 . . 1 . . . . 476 THR HG2 . 6567 1
5 . 1 1 2 2 THR HG23 H 1 1.235 . . 1 . . . . 476 THR HG2 . 6567 1
6 . 1 1 2 2 THR CA C 13 61.896 . . 1 . . . . 476 THR CA . 6567 1
7 . 1 1 2 2 THR CB C 13 70.035 . . 1 . . . . 476 THR CB . 6567 1
8 . 1 1 2 2 THR CG2 C 13 21.708 . . 1 . . . . 476 THR CG2 . 6567 1
9 . 1 1 3 3 THR H H 1 8.330 . . 1 . . . . 477 THR H . 6567 1
10 . 1 1 3 3 THR HA H 1 4.380 . . 1 . . . . 477 THR HA . 6567 1
11 . 1 1 3 3 THR HB H 1 4.252 . . 1 . . . . 477 THR HB . 6567 1
12 . 1 1 3 3 THR HG21 H 1 1.238 . . 1 . . . . 477 THR HG1 . 6567 1
13 . 1 1 3 3 THR HG22 H 1 1.238 . . 1 . . . . 477 THR HG1 . 6567 1
14 . 1 1 3 3 THR HG23 H 1 1.238 . . 1 . . . . 477 THR HG1 . 6567 1
15 . 1 1 3 3 THR CA C 13 61.930 . . 1 . . . . 477 THR CA . 6567 1
16 . 1 1 3 3 THR CB C 13 70.032 . . 1 . . . . 477 THR CB . 6567 1
17 . 1 1 3 3 THR CG2 C 13 21.864 . . 1 . . . . 477 THR CG2 . 6567 1
18 . 1 1 3 3 THR N N 15 117.022 . . 1 . . . . 477 THR N . 6567 1
19 . 1 1 4 4 ALA H H 1 8.515 . . 1 . . . . 478 ALA H . 6567 1
20 . 1 1 4 4 ALA HA H 1 4.421 . . 1 . . . . 478 ALA HA . 6567 1
21 . 1 1 4 4 ALA HB1 H 1 1.430 . . 1 . . . . 478 ALA HB . 6567 1
22 . 1 1 4 4 ALA HB2 H 1 1.430 . . 1 . . . . 478 ALA HB . 6567 1
23 . 1 1 4 4 ALA HB3 H 1 1.430 . . 1 . . . . 478 ALA HB . 6567 1
24 . 1 1 4 4 ALA CA C 13 52.885 . . 1 . . . . 478 ALA CA . 6567 1
25 . 1 1 4 4 ALA CB C 13 19.427 . . 1 . . . . 478 ALA CB . 6567 1
26 . 1 1 4 4 ALA N N 15 127.010 . . 1 . . . . 478 ALA N . 6567 1
27 . 1 1 5 5 THR H H 1 8.178 . . 1 . . . . 479 THR H . 6567 1
28 . 1 1 5 5 THR HA H 1 4.332 . . 1 . . . . 479 THR HA . 6567 1
29 . 1 1 5 5 THR HB H 1 4.240 . . 1 . . . . 479 THR HB . 6567 1
30 . 1 1 5 5 THR HG21 H 1 1.218 . . 1 . . . . 479 THR HG2 . 6567 1
31 . 1 1 5 5 THR HG22 H 1 1.218 . . 1 . . . . 479 THR HG2 . 6567 1
32 . 1 1 5 5 THR HG23 H 1 1.218 . . 1 . . . . 479 THR HG2 . 6567 1
33 . 1 1 5 5 THR CA C 13 62.087 . . 1 . . . . 479 THR CA . 6567 1
34 . 1 1 5 5 THR CB C 13 69.907 . . 1 . . . . 479 THR CB . 6567 1
35 . 1 1 5 5 THR CG2 C 13 21.851 . . 1 . . . . 479 THR CG2 . 6567 1
36 . 1 1 5 5 THR N N 15 113.494 . . 1 . . . . 479 THR N . 6567 1
37 . 1 1 6 6 GLU H H 1 8.444 . . 1 . . . . 480 GLU H . 6567 1
38 . 1 1 6 6 GLU HA H 1 4.356 . . 1 . . . . 480 GLU HA . 6567 1
39 . 1 1 6 6 GLU HB2 H 1 1.987 . . 2 . . . . 480 GLU HB2 . 6567 1
40 . 1 1 6 6 GLU HB3 H 1 2.116 . . 2 . . . . 480 GLU HB3 . 6567 1
41 . 1 1 6 6 GLU HG2 H 1 2.317 . . 1 . . . . 480 GLU HG2 . 6567 1
42 . 1 1 6 6 GLU HG3 H 1 2.317 . . 1 . . . . 480 GLU HG3 . 6567 1
43 . 1 1 6 6 GLU CA C 13 56.758 . . 1 . . . . 480 GLU CA . 6567 1
44 . 1 1 6 6 GLU CB C 13 30.285 . . 1 . . . . 480 GLU CB . 6567 1
45 . 1 1 6 6 GLU CG C 13 35.984 . . 1 . . . . 480 GLU CG . 6567 1
46 . 1 1 6 6 GLU N N 15 123.337 . . 1 . . . . 480 GLU N . 6567 1
47 . 1 1 7 7 SER H H 1 8.417 . . 1 . . . . 481 SER H . 6567 1
48 . 1 1 7 7 SER HA H 1 4.511 . . 1 . . . . 481 SER HA . 6567 1
49 . 1 1 7 7 SER HB2 H 1 3.901 . . 1 . . . . 481 SER HB2 . 6567 1
50 . 1 1 7 7 SER HB3 H 1 3.901 . . 1 . . . . 481 SER HB3 . 6567 1
51 . 1 1 7 7 SER CA C 13 58.507 . . 1 . . . . 481 SER CA . 6567 1
52 . 1 1 7 7 SER CB C 13 63.995 . . 1 . . . . 481 SER CB . 6567 1
53 . 1 1 7 7 SER N N 15 116.945 . . 1 . . . . 481 SER N . 6567 1
54 . 1 1 8 8 SER H H 1 8.394 . . 1 . . . . 482 SER H . 6567 1
55 . 1 1 8 8 SER HA H 1 4.482 . . 1 . . . . 482 SER HA . 6567 1
56 . 1 1 8 8 SER HB2 H 1 3.903 . . 1 . . . . 482 SER HB2 . 6567 1
57 . 1 1 8 8 SER HB3 H 1 3.903 . . 1 . . . . 482 SER HB3 . 6567 1
58 . 1 1 8 8 SER CA C 13 58.537 . . 1 . . . . 482 SER CA . 6567 1
59 . 1 1 8 8 SER CB C 13 63.898 . . 1 . . . . 482 SER CB . 6567 1
60 . 1 1 8 8 SER N N 15 117.916 . . 1 . . . . 482 SER N . 6567 1
61 . 1 1 9 9 GLN H H 1 8.426 . . 1 . . . . 483 GLN H . 6567 1
62 . 1 1 9 9 GLN HA H 1 4.388 . . 1 . . . . 483 GLN HA . 6567 1
63 . 1 1 9 9 GLN HB2 H 1 2.140 . . 2 . . . . 483 GLN HB2 . 6567 1
64 . 1 1 9 9 GLN HB3 H 1 1.960 . . 2 . . . . 483 GLN HB3 . 6567 1
65 . 1 1 9 9 GLN HG2 H 1 2.369 . . 1 . . . . 483 GLN HG2 . 6567 1
66 . 1 1 9 9 GLN HG3 H 1 2.369 . . 1 . . . . 483 GLN HG3 . 6567 1
67 . 1 1 9 9 GLN CA C 13 55.662 . . 1 . . . . 483 GLN CA . 6567 1
68 . 1 1 9 9 GLN CB C 13 29.817 . . 1 . . . . 483 GLN CB . 6567 1
69 . 1 1 9 9 GLN CG C 13 34.009 . . 1 . . . . 483 GLN CG . 6567 1
70 . 1 1 9 9 GLN N N 15 122.010 . . 1 . . . . 483 GLN N . 6567 1
71 . 1 1 10 10 ASP H H 1 8.548 . . 1 . . . . 484 ASP H . 6567 1
72 . 1 1 10 10 ASP HA H 1 4.876 . . 1 . . . . 484 ASP HA . 6567 1
73 . 1 1 10 10 ASP HB2 H 1 2.614 . . 2 . . . . 484 ASP HB2 . 6567 1
74 . 1 1 10 10 ASP HB3 H 1 2.811 . . 2 . . . . 484 ASP HB3 . 6567 1
75 . 1 1 10 10 ASP N N 15 123.803 . . 1 . . . . 484 ASP N . 6567 1
76 . 1 1 11 11 PRO HA H 1 4.461 . . 1 . . . . 485 PRO HA . 6567 1
77 . 1 1 11 11 PRO HB2 H 1 2.385 . . 1 . . . . 485 PRO HB2 . 6567 1
78 . 1 1 11 11 PRO HB3 H 1 2.385 . . 1 . . . . 485 PRO HB3 . 6567 1
79 . 1 1 11 11 PRO HG2 H 1 2.080 . . 1 . . . . 485 PRO HG2 . 6567 1
80 . 1 1 11 11 PRO HG3 H 1 2.080 . . 1 . . . . 485 PRO HG3 . 6567 1
81 . 1 1 11 11 PRO CA C 13 64.342 . . 1 . . . . 485 PRO CA . 6567 1
82 . 1 1 11 11 PRO CB C 13 32.301 . . 1 . . . . 485 PRO CB . 6567 1
83 . 1 1 11 11 PRO CG C 13 27.608 . . 1 . . . . 485 PRO CG . 6567 1
84 . 1 1 12 12 GLN H H 1 8.674 . . 1 . . . . 486 GLN H . 6567 1
85 . 1 1 12 12 GLN HA H 1 4.232 . . 1 . . . . 486 GLN HA . 6567 1
86 . 1 1 12 12 GLN HB2 H 1 2.089 . . 1 . . . . 486 GLN HB2 . 6567 1
87 . 1 1 12 12 GLN HB3 H 1 2.089 . . 1 . . . . 486 GLN HB3 . 6567 1
88 . 1 1 12 12 GLN HG2 H 1 2.415 . . 1 . . . . 486 GLN HG2 . 6567 1
89 . 1 1 12 12 GLN HG3 H 1 2.415 . . 1 . . . . 486 GLN HG3 . 6567 1
90 . 1 1 12 12 GLN CA C 13 57.538 . . 1 . . . . 486 GLN CA . 6567 1
91 . 1 1 12 12 GLN CB C 13 28.799 . . 1 . . . . 486 GLN CB . 6567 1
92 . 1 1 12 12 GLN CG C 13 34.192 . . 1 . . . . 486 GLN CG . 6567 1
93 . 1 1 12 12 GLN N N 15 118.741 . . 1 . . . . 486 GLN N . 6567 1
94 . 1 1 13 13 ASP H H 1 8.292 . . 1 . . . . 487 ASP H . 6567 1
95 . 1 1 13 13 ASP HA H 1 4.480 . . 1 . . . . 487 ASP HA . 6567 1
96 . 1 1 13 13 ASP HB2 H 1 2.679 . . 2 . . . . 487 ASP HB2 . 6567 1
97 . 1 1 13 13 ASP HB3 H 1 2.830 . . 2 . . . . 487 ASP HB3 . 6567 1
98 . 1 1 13 13 ASP CA C 13 56.467 . . 1 . . . . 487 ASP CA . 6567 1
99 . 1 1 13 13 ASP CB C 13 40.747 . . 1 . . . . 487 ASP CB . 6567 1
100 . 1 1 13 13 ASP N N 15 120.826 . . 1 . . . . 487 ASP N . 6567 1
101 . 1 1 14 14 SER H H 1 8.352 . . 1 . . . . 488 SER H . 6567 1
102 . 1 1 14 14 SER HA H 1 4.433 . . 1 . . . . 488 SER HA . 6567 1
103 . 1 1 14 14 SER HB2 H 1 3.996 . . 1 . . . . 488 SER HB2 . 6567 1
104 . 1 1 14 14 SER HB3 H 1 3.996 . . 1 . . . . 488 SER HB3 . 6567 1
105 . 1 1 14 14 SER CA C 13 60.801 . . 1 . . . . 488 SER CA . 6567 1
106 . 1 1 14 14 SER CB C 13 62.920 . . 1 . . . . 488 SER CB . 6567 1
107 . 1 1 14 14 SER N N 15 116.769 . . 1 . . . . 488 SER N . 6567 1
108 . 1 1 15 15 ARG H H 1 8.093 . . 1 . . . . 489 ARG H . 6567 1
109 . 1 1 15 15 ARG HA H 1 4.249 . . 1 . . . . 489 ARG HA . 6567 1
110 . 1 1 15 15 ARG HB2 H 1 1.969 . . 1 . . . . 489 ARG HB2 . 6567 1
111 . 1 1 15 15 ARG HB3 H 1 1.969 . . 1 . . . . 489 ARG HB3 . 6567 1
112 . 1 1 15 15 ARG HG2 H 1 1.729 . . 1 . . . . 489 ARG HG2 . 6567 1
113 . 1 1 15 15 ARG HG3 H 1 1.729 . . 1 . . . . 489 ARG HG3 . 6567 1
114 . 1 1 15 15 ARG HD2 H 1 3.250 . . 1 . . . . 489 ARG HD2 . 6567 1
115 . 1 1 15 15 ARG HD3 H 1 3.250 . . 1 . . . . 489 ARG HD3 . 6567 1
116 . 1 1 15 15 ARG CA C 13 58.520 . . 1 . . . . 489 ARG CA . 6567 1
117 . 1 1 15 15 ARG CB C 13 30.188 . . 1 . . . . 489 ARG CB . 6567 1
118 . 1 1 15 15 ARG CG C 13 26.902 . . 1 . . . . 489 ARG CG . 6567 1
119 . 1 1 15 15 ARG CD C 13 43.324 . . 1 . . . . 489 ARG CD . 6567 1
120 . 1 1 15 15 ARG N N 15 124.400 . . 1 . . . . 489 ARG N . 6567 1
121 . 1 1 16 16 ARG H H 1 8.105 . . 1 . . . . 490 ARG H . 6567 1
122 . 1 1 16 16 ARG HA H 1 4.157 . . 1 . . . . 490 ARG HA . 6567 1
123 . 1 1 16 16 ARG HB2 H 1 1.878 . . 1 . . . . 490 ARG HB2 . 6567 1
124 . 1 1 16 16 ARG HB3 H 1 1.878 . . 1 . . . . 490 ARG HB3 . 6567 1
125 . 1 1 16 16 ARG HD2 H 1 3.258 . . 1 . . . . 490 ARG HD2 . 6567 1
126 . 1 1 16 16 ARG HD3 H 1 3.258 . . 1 . . . . 490 ARG HD3 . 6567 1
127 . 1 1 16 16 ARG CA C 13 59.513 . . 1 . . . . 490 ARG CA . 6567 1
128 . 1 1 16 16 ARG CB C 13 30.600 . . 1 . . . . 490 ARG CB . 6567 1
129 . 1 1 16 16 ARG CG C 13 28.370 . . 1 . . . . 490 ARG CG . 6567 1
130 . 1 1 16 16 ARG CD C 13 43.591 . . 1 . . . . 490 ARG CD . 6567 1
131 . 1 1 16 16 ARG N N 15 119.503 . . 1 . . . . 490 ARG N . 6567 1
132 . 1 1 17 17 SER H H 1 7.785 . . 1 . . . . 491 SER H . 6567 1
133 . 1 1 17 17 SER HA H 1 4.243 . . 1 . . . . 491 SER HA . 6567 1
134 . 1 1 17 17 SER HB2 H 1 4.039 . . 2 . . . . 491 SER HB2 . 6567 1
135 . 1 1 17 17 SER HB3 H 1 4.303 . . 2 . . . . 491 SER HB3 . 6567 1
136 . 1 1 17 17 SER CA C 13 61.495 . . 1 . . . . 491 SER CA . 6567 1
137 . 1 1 17 17 SER CB C 13 62.917 . . 1 . . . . 491 SER CB . 6567 1
138 . 1 1 17 17 SER N N 15 115.689 . . 1 . . . . 491 SER N . 6567 1
139 . 1 1 18 18 ALA H H 1 7.954 . . 1 . . . . 492 ALA H . 6567 1
140 . 1 1 18 18 ALA HA H 1 4.083 . . 1 . . . . 492 ALA HA . 6567 1
141 . 1 1 18 18 ALA HB1 H 1 1.583 . . 1 . . . . 492 ALA HB . 6567 1
142 . 1 1 18 18 ALA HB2 H 1 1.583 . . 1 . . . . 492 ALA HB . 6567 1
143 . 1 1 18 18 ALA HB3 H 1 1.583 . . 1 . . . . 492 ALA HB . 6567 1
144 . 1 1 18 18 ALA CA C 13 55.271 . . 1 . . . . 492 ALA CA . 6567 1
145 . 1 1 18 18 ALA CB C 13 18.356 . . 1 . . . . 492 ALA CB . 6567 1
146 . 1 1 18 18 ALA N N 15 120.489 . . 1 . . . . 492 ALA N . 6567 1
147 . 1 1 19 19 ASP H H 1 8.577 . . 1 . . . . 493 ASP H . 6567 1
148 . 1 1 19 19 ASP HA H 1 4.491 . . 1 . . . . 493 ASP HA . 6567 1
149 . 1 1 19 19 ASP HB2 H 1 2.652 . . 2 . . . . 493 ASP HB2 . 6567 1
150 . 1 1 19 19 ASP HB3 H 1 2.776 . . 2 . . . . 493 ASP HB3 . 6567 1
151 . 1 1 19 19 ASP CA C 13 57.244 . . 1 . . . . 493 ASP CA . 6567 1
152 . 1 1 19 19 ASP CB C 13 40.796 . . 1 . . . . 493 ASP CB . 6567 1
153 . 1 1 19 19 ASP N N 15 118.805 . . 1 . . . . 493 ASP N . 6567 1
154 . 1 1 20 20 ALA H H 1 7.965 . . 1 . . . . 494 ALA H . 6567 1
155 . 1 1 20 20 ALA HA H 1 4.211 . . 1 . . . . 494 ALA HA . 6567 1
156 . 1 1 20 20 ALA HB1 H 1 1.703 . . 1 . . . . 494 ALA HB . 6567 1
157 . 1 1 20 20 ALA HB2 H 1 1.703 . . 1 . . . . 494 ALA HB . 6567 1
158 . 1 1 20 20 ALA HB3 H 1 1.703 . . 1 . . . . 494 ALA HB . 6567 1
159 . 1 1 20 20 ALA CA C 13 55.730 . . 1 . . . . 494 ALA CA . 6567 1
160 . 1 1 20 20 ALA CB C 13 18.812 . . 1 . . . . 494 ALA CB . 6567 1
161 . 1 1 20 20 ALA N N 15 124.432 . . 1 . . . . 494 ALA N . 6567 1
162 . 1 1 21 21 LEU H H 1 7.902 . . 1 . . . . 495 LEU H . 6567 1
163 . 1 1 21 21 LEU HA H 1 4.060 . . 1 . . . . 495 LEU HA . 6567 1
164 . 1 1 21 21 LEU CA C 13 57.891 . . 1 . . . . 495 LEU CA . 6567 1
165 . 1 1 21 21 LEU CB C 13 41.790 . . 1 . . . . 495 LEU CB . 6567 1
166 . 1 1 21 21 LEU CG C 13 26.332 . . 1 . . . . 495 LEU CG . 6567 1
167 . 1 1 21 21 LEU CD1 C 13 23.836 . . 1 . . . . 495 LEU CD1 . 6567 1
168 . 1 1 21 21 LEU CD2 C 13 23.836 . . 1 . . . . 495 LEU CD2 . 6567 1
169 . 1 1 21 21 LEU N N 15 117.426 . . 1 . . . . 495 LEU N . 6567 1
170 . 1 1 22 22 LEU H H 1 7.922 . . 1 . . . . 496 LEU H . 6567 1
171 . 1 1 22 22 LEU HA H 1 4.117 . . 1 . . . . 496 LEU HA . 6567 1
172 . 1 1 22 22 LEU CA C 13 58.289 . . 1 . . . . 496 LEU CA . 6567 1
173 . 1 1 22 22 LEU CB C 13 41.700 . . 1 . . . . 496 LEU CB . 6567 1
174 . 1 1 22 22 LEU N N 15 120.710 . . 1 . . . . 496 LEU N . 6567 1
175 . 1 1 23 23 ARG H H 1 8.044 . . 1 . . . . 497 ARG H . 6567 1
176 . 1 1 23 23 ARG HA H 1 4.126 . . 1 . . . . 497 ARG HA . 6567 1
177 . 1 1 23 23 ARG HD2 H 1 3.229 . . 1 . . . . 497 ARG HD2 . 6567 1
178 . 1 1 23 23 ARG HD3 H 1 3.229 . . 1 . . . . 497 ARG HD3 . 6567 1
179 . 1 1 23 23 ARG CA C 13 59.228 . . 1 . . . . 497 ARG CA . 6567 1
180 . 1 1 23 23 ARG CB C 13 30.307 . . 1 . . . . 497 ARG CB . 6567 1
181 . 1 1 23 23 ARG CD C 13 43.608 . . 1 . . . . 497 ARG CD . 6567 1
182 . 1 1 23 23 ARG N N 15 120.494 . . 1 . . . . 497 ARG N . 6567 1
183 . 1 1 24 24 LEU H H 1 8.275 . . 1 . . . . 498 LEU H . 6567 1
184 . 1 1 24 24 LEU HA H 1 3.960 . . 1 . . . . 498 LEU HA . 6567 1
185 . 1 1 24 24 LEU HB2 H 1 1.292 . . 2 . . . . 498 LEU HB2 . 6567 1
186 . 1 1 24 24 LEU HB3 H 1 1.974 . . 2 . . . . 498 LEU HB3 . 6567 1
187 . 1 1 24 24 LEU HD11 H 1 0.244 . . 2 . . . . 498 LEU HD1 . 6567 1
188 . 1 1 24 24 LEU HD12 H 1 0.244 . . 2 . . . . 498 LEU HD1 . 6567 1
189 . 1 1 24 24 LEU HD13 H 1 0.244 . . 2 . . . . 498 LEU HD1 . 6567 1
190 . 1 1 24 24 LEU HD21 H 1 0.508 . . 2 . . . . 498 LEU HD2 . 6567 1
191 . 1 1 24 24 LEU HD22 H 1 0.508 . . 2 . . . . 498 LEU HD2 . 6567 1
192 . 1 1 24 24 LEU HD23 H 1 0.508 . . 2 . . . . 498 LEU HD2 . 6567 1
193 . 1 1 24 24 LEU CA C 13 57.782 . . 1 . . . . 498 LEU CA . 6567 1
194 . 1 1 24 24 LEU CB C 13 41.736 . . 1 . . . . 498 LEU CB . 6567 1
195 . 1 1 24 24 LEU CG C 13 27.782 . . 1 . . . . 498 LEU CG . 6567 1
196 . 1 1 24 24 LEU CD1 C 13 24.638 . . 1 . . . . 498 LEU CD1 . 6567 1
197 . 1 1 24 24 LEU CD2 C 13 24.638 . . 1 . . . . 498 LEU CD2 . 6567 1
198 . 1 1 24 24 LEU N N 15 123.426 . . 1 . . . . 498 LEU N . 6567 1
199 . 1 1 25 25 GLN H H 1 8.451 . . 1 . . . . 499 GLN H . 6567 1
200 . 1 1 25 25 GLN HA H 1 3.952 . . 1 . . . . 499 GLN HA . 6567 1
201 . 1 1 25 25 GLN HB2 H 1 2.216 . . 1 . . . . 499 GLN HB2 . 6567 1
202 . 1 1 25 25 GLN HB3 H 1 2.216 . . 1 . . . . 499 GLN HB3 . 6567 1
203 . 1 1 25 25 GLN HG2 H 1 2.390 . . 1 . . . . 499 GLN HG2 . 6567 1
204 . 1 1 25 25 GLN HG3 H 1 2.390 . . 1 . . . . 499 GLN HG3 . 6567 1
205 . 1 1 25 25 GLN CA C 13 59.363 . . 1 . . . . 499 GLN CA . 6567 1
206 . 1 1 25 25 GLN CB C 13 28.926 . . 1 . . . . 499 GLN CB . 6567 1
207 . 1 1 25 25 GLN CG C 13 34.602 . . 1 . . . . 499 GLN CG . 6567 1
208 . 1 1 25 25 GLN N N 15 119.743 . . 1 . . . . 499 GLN N . 6567 1
209 . 1 1 26 26 ALA H H 1 7.686 . . 1 . . . . 500 ALA H . 6567 1
210 . 1 1 26 26 ALA HA H 1 4.218 . . 1 . . . . 500 ALA HA . 6567 1
211 . 1 1 26 26 ALA HB1 H 1 1.539 . . 1 . . . . 500 ALA HB . 6567 1
212 . 1 1 26 26 ALA HB2 H 1 1.539 . . 1 . . . . 500 ALA HB . 6567 1
213 . 1 1 26 26 ALA HB3 H 1 1.539 . . 1 . . . . 500 ALA HB . 6567 1
214 . 1 1 26 26 ALA CA C 13 54.504 . . 1 . . . . 500 ALA CA . 6567 1
215 . 1 1 26 26 ALA CB C 13 18.297 . . 1 . . . . 500 ALA CB . 6567 1
216 . 1 1 26 26 ALA N N 15 120.362 . . 1 . . . . 500 ALA N . 6567 1
217 . 1 1 27 27 MET H H 1 7.692 . . 1 . . . . 501 MET H . 6567 1
218 . 1 1 27 27 MET HA H 1 4.187 . . 1 . . . . 501 MET HA . 6567 1
219 . 1 1 27 27 MET HB2 H 1 2.203 . . 2 . . . . 501 MET HB2 . 6567 1
220 . 1 1 27 27 MET HB3 H 1 2.296 . . 2 . . . . 501 MET HB3 . 6567 1
221 . 1 1 27 27 MET HG2 H 1 2.546 . . 2 . . . . 501 MET HG2 . 6567 1
222 . 1 1 27 27 MET HG3 H 1 2.772 . . 2 . . . . 501 MET HG3 . 6567 1
223 . 1 1 27 27 MET CA C 13 58.062 . . 1 . . . . 501 MET CA . 6567 1
224 . 1 1 27 27 MET CB C 13 32.320 . . 1 . . . . 501 MET CB . 6567 1
225 . 1 1 27 27 MET N N 15 118.161 . . 1 . . . . 501 MET N . 6567 1
226 . 1 1 28 28 ALA H H 1 8.134 . . 1 . . . . 502 ALA H . 6567 1
227 . 1 1 28 28 ALA HA H 1 4.117 . . 1 . . . . 502 ALA HA . 6567 1
228 . 1 1 28 28 ALA HB1 H 1 1.398 . . 1 . . . . 502 ALA HB . 6567 1
229 . 1 1 28 28 ALA HB2 H 1 1.398 . . 1 . . . . 502 ALA HB . 6567 1
230 . 1 1 28 28 ALA HB3 H 1 1.398 . . 1 . . . . 502 ALA HB . 6567 1
231 . 1 1 28 28 ALA CA C 13 53.380 . . 1 . . . . 502 ALA CA . 6567 1
232 . 1 1 28 28 ALA CB C 13 19.254 . . 1 . . . . 502 ALA CB . 6567 1
233 . 1 1 28 28 ALA N N 15 120.754 . . 1 . . . . 502 ALA N . 6567 1
234 . 1 1 29 29 GLY H H 1 7.945 . . 1 . . . . 503 GLY H . 6567 1
235 . 1 1 29 29 GLY HA2 H 1 3.904 . . 2 . . . . 503 GLY HA2 . 6567 1
236 . 1 1 29 29 GLY HA3 H 1 3.974 . . 2 . . . . 503 GLY HA3 . 6567 1
237 . 1 1 29 29 GLY CA C 13 45.753 . . 1 . . . . 503 GLY CA . 6567 1
238 . 1 1 29 29 GLY N N 15 123.384 . . 1 . . . . 503 GLY N . 6567 1
239 . 1 1 30 30 ILE H H 1 7.632 . . 1 . . . . 504 ILE H . 6567 1
240 . 1 1 30 30 ILE HA H 1 4.171 . . 1 . . . . 504 ILE HA . 6567 1
241 . 1 1 30 30 ILE HB H 1 1.755 . . 1 . . . . 504 ILE HB . 6567 1
242 . 1 1 30 30 ILE HG12 H 1 1.086 . . 2 . . . . 504 ILE HG12 . 6567 1
243 . 1 1 30 30 ILE HG13 H 1 1.407 . . 2 . . . . 504 ILE HG13 . 6567 1
244 . 1 1 30 30 ILE HG21 H 1 0.776 . . 1 . . . . 504 ILE HG2 . 6567 1
245 . 1 1 30 30 ILE HG22 H 1 0.776 . . 1 . . . . 504 ILE HG2 . 6567 1
246 . 1 1 30 30 ILE HG23 H 1 0.776 . . 1 . . . . 504 ILE HG2 . 6567 1
247 . 1 1 30 30 ILE CA C 13 60.942 . . 1 . . . . 504 ILE CA . 6567 1
248 . 1 1 30 30 ILE CB C 13 39.376 . . 1 . . . . 504 ILE CB . 6567 1
249 . 1 1 30 30 ILE CG1 C 13 27.386 . . 1 . . . . 504 ILE CG1 . 6567 1
250 . 1 1 30 30 ILE CG2 C 13 17.539 . . 1 . . . . 504 ILE CG2 . 6567 1
251 . 1 1 30 30 ILE CD1 C 13 13.582 . . 1 . . . . 504 ILE CD1 . 6567 1
252 . 1 1 30 30 ILE N N 15 119.038 . . 1 . . . . 504 ILE N . 6567 1
253 . 1 1 31 31 SER H H 1 8.217 . . 1 . . . . 505 SER H . 6567 1
254 . 1 1 31 31 SER HA H 1 4.441 . . 1 . . . . 505 SER HA . 6567 1
255 . 1 1 31 31 SER HB2 H 1 3.779 . . 1 . . . . 505 SER HB2 . 6567 1
256 . 1 1 31 31 SER HB3 H 1 3.779 . . 1 . . . . 505 SER HB3 . 6567 1
257 . 1 1 31 31 SER CA C 13 58.022 . . 1 . . . . 505 SER CA . 6567 1
258 . 1 1 31 31 SER CB C 13 64.271 . . 1 . . . . 505 SER CB . 6567 1
259 . 1 1 31 31 SER N N 15 120.012 . . 1 . . . . 505 SER N . 6567 1
260 . 1 1 32 32 TYR H H 1 7.762 . . 1 . . . . 506 TYR H . 6567 1
261 . 1 1 32 32 TYR HA H 1 4.372 . . 1 . . . . 506 TYR HA . 6567 1
262 . 1 1 32 32 TYR N N 15 127.020 . . 1 . . . . 506 TYR N . 6567 1
stop_
save_