Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25423
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
3 '3D 1H-15N NOESY' . . . 25423 1
6 '3D 1H-13C NOESY aliphatic' . . . 25423 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 $PIPP . . 25423 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 1 1 GLN HA H 1 4.1940 . . . . . . A 49 GLN HA . 25423 1
2 . 1 1 1 1 GLN HB2 H 1 2.0650 . . . . . . A 49 GLN HB2 . 25423 1
3 . 1 1 1 1 GLN HB3 H 1 1.9690 . . . . . . A 49 GLN HB3 . 25423 1
4 . 1 1 1 1 GLN HG2 H 1 2.3220 . . . . . . A 49 GLN HG2 . 25423 1
5 . 1 1 1 1 GLN HG3 H 1 2.3900 . . . . . . A 49 GLN HG3 . 25423 1
6 . 1 1 1 1 GLN HE21 H 1 7.4350 . . . . . . A 49 GLN HE21 . 25423 1
7 . 1 1 1 1 GLN HE22 H 1 6.8030 . . . . . . A 49 GLN HE22 . 25423 1
8 . 1 1 1 1 GLN H H 1 8.0360 . . . . . . A 49 GLN H1 . 25423 1
9 . 1 1 1 1 GLN CA C 13 55.7350 . . . . . . A 49 GLN CA . 25423 1
10 . 1 1 1 1 GLN CB C 13 28.8180 . . . . . . A 49 GLN CB . 25423 1
11 . 1 1 1 1 GLN CG C 13 33.5470 . . . . . . A 49 GLN CG . 25423 1
12 . 1 1 1 1 GLN N N 15 118.4470 . . . . . . A 49 GLN N . 25423 1
13 . 1 1 1 1 GLN NE2 N 15 112.3050 . . . . . . A 49 GLN NE2 . 25423 1
14 . 1 1 2 2 MET H H 1 7.9440 . . . . . . A 50 MET H . 25423 1
15 . 1 1 2 2 MET HA H 1 4.3540 . . . . . . A 50 MET HA . 25423 1
16 . 1 1 2 2 MET HB2 H 1 2.0120 . . . . . . A 50 MET HB2 . 25423 1
17 . 1 1 2 2 MET HB3 H 1 1.9730 . . . . . . A 50 MET HB3 . 25423 1
18 . 1 1 2 2 MET HG2 H 1 2.4930 . . . . . . A 50 MET HG2 . 25423 1
19 . 1 1 2 2 MET HG3 H 1 2.5690 . . . . . . A 50 MET HG3 . 25423 1
20 . 1 1 2 2 MET HE1 H 1 2.0030 . . . . . . A 50 MET HE1 . 25423 1
21 . 1 1 2 2 MET HE2 H 1 2.0030 . . . . . . A 50 MET HE2 . 25423 1
22 . 1 1 2 2 MET HE3 H 1 2.0030 . . . . . . A 50 MET HE3 . 25423 1
23 . 1 1 2 2 MET CA C 13 55.1490 . . . . . . A 50 MET CA . 25423 1
24 . 1 1 2 2 MET CB C 13 32.5140 . . . . . . A 50 MET CB . 25423 1
25 . 1 1 2 2 MET CG C 13 31.6880 . . . . . . A 50 MET CG . 25423 1
26 . 1 1 2 2 MET CE C 13 16.6450 . . . . . . A 50 MET CE . 25423 1
27 . 1 1 2 2 MET N N 15 120.0510 . . . . . . A 50 MET N . 25423 1
28 . 1 1 3 3 GLN H H 1 8.1430 . . . . . . A 51 GLN HN . 25423 1
29 . 1 1 3 3 GLN HA H 1 4.5140 . . . . . . A 51 GLN HA . 25423 1
30 . 1 1 3 3 GLN HB2 H 1 2.0130 . . . . . . A 51 GLN HB2 . 25423 1
31 . 1 1 3 3 GLN HB3 H 1 1.8440 . . . . . . A 51 GLN HB3 . 25423 1
32 . 1 1 3 3 GLN HG2 H 1 2.2970 . . . . . . A 51 GLN HG2 . 25423 1
33 . 1 1 3 3 GLN HG3 H 1 2.2970 . . . . . . A 51 GLN HG# . 25423 1
34 . 1 1 3 3 GLN HE21 H 1 7.4760 . . . . . . A 51 GLN HE21 . 25423 1
35 . 1 1 3 3 GLN HE22 H 1 6.8110 . . . . . . A 51 GLN HE22 . 25423 1
36 . 1 1 3 3 GLN CA C 13 53.3030 . . . . . . A 51 GLN CA . 25423 1
37 . 1 1 3 3 GLN CB C 13 28.7820 . . . . . . A 51 GLN CB . 25423 1
38 . 1 1 3 3 GLN CG C 13 33.0460 . . . . . . A 51 GLN CG . 25423 1
39 . 1 1 3 3 GLN N N 15 122.3110 . . . . . . A 51 GLN N . 25423 1
40 . 1 1 3 3 GLN NE2 N 15 112.7440 . . . . . . A 51 GLN NE2 . 25423 1
41 . 1 1 4 4 PRO HA H 1 4.3070 . . . . . . A 52 PRO HA . 25423 1
42 . 1 1 4 4 PRO HB2 H 1 2.1410 . . . . . . A 52 PRO HB2 . 25423 1
43 . 1 1 4 4 PRO HB3 H 1 1.6950 . . . . . . A 52 PRO HB3 . 25423 1
44 . 1 1 4 4 PRO HG2 H 1 1.8500 . . . . . . A 52 PRO HG2 . 25423 1
45 . 1 1 4 4 PRO HG3 H 1 1.8880 . . . . . . A 52 PRO HG3 . 25423 1
46 . 1 1 4 4 PRO HD2 H 1 3.6960 . . . . . . A 52 PRO HD2 . 25423 1
47 . 1 1 4 4 PRO HD3 H 1 3.5450 . . . . . . A 52 PRO HD3 . 25423 1
48 . 1 1 4 4 PRO CA C 13 62.4810 . . . . . . A 52 PRO CA . 25423 1
49 . 1 1 4 4 PRO CB C 13 31.8500 . . . . . . A 52 PRO CB . 25423 1
50 . 1 1 4 4 PRO CG C 13 27.1330 . . . . . . A 52 PRO CG . 25423 1
51 . 1 1 4 4 PRO CD C 13 50.1800 . . . . . . A 52 PRO CD . 25423 1
52 . 1 1 5 5 LEU H H 1 8.3120 . . . . . . A 53 LEU HN . 25423 1
53 . 1 1 5 5 LEU HA H 1 4.1510 . . . . . . A 53 LEU HA . 25423 1
54 . 1 1 5 5 LEU HB2 H 1 1.4080 . . . . . . A 53 LEU HB2 . 25423 1
55 . 1 1 5 5 LEU HB3 H 1 1.5060 . . . . . . A 53 LEU HB3 . 25423 1
56 . 1 1 5 5 LEU HG H 1 1.4990 . . . . . . A 53 LEU HG . 25423 1
57 . 1 1 5 5 LEU HD11 H 1 0.7500 . . . . . . A 53 LEU HD11 . 25423 1
58 . 1 1 5 5 LEU HD12 H 1 0.7500 . . . . . . A 53 LEU HD12 . 25423 1
59 . 1 1 5 5 LEU HD13 H 1 0.7500 . . . . . . A 53 LEU HD13 . 25423 1
60 . 1 1 5 5 LEU HD21 H 1 0.8090 . . . . . . A 53 LEU HD21 . 25423 1
61 . 1 1 5 5 LEU HD22 H 1 0.8090 . . . . . . A 53 LEU HD22 . 25423 1
62 . 1 1 5 5 LEU HD23 H 1 0.8090 . . . . . . A 53 LEU HD23 . 25423 1
63 . 1 1 5 5 LEU CA C 13 54.9320 . . . . . . A 53 LEU CA . 25423 1
64 . 1 1 5 5 LEU CB C 13 41.9740 . . . . . . A 53 LEU CB . 25423 1
65 . 1 1 5 5 LEU CG C 13 26.7500 . . . . . . A 53 LEU CG . 25423 1
66 . 1 1 5 5 LEU CD1 C 13 23.1500 . . . . . . A 53 LEU CD1 . 25423 1
67 . 1 1 5 5 LEU CD2 C 13 24.5470 . . . . . . A 53 LEU CD2 . 25423 1
68 . 1 1 5 5 LEU N N 15 121.8330 . . . . . . A 53 LEU N . 25423 1
69 . 1 1 6 6 CYS H H 1 7.7190 . . . . . . A 54 CYS H . 25423 1
70 . 1 1 6 6 CYS HA H 1 4.3950 . . . . . . A 54 CYS HA . 25423 1
71 . 1 1 6 6 CYS HB2 H 1 2.6950 . . . . . . A 54 CYS HB2 . 25423 1
72 . 1 1 6 6 CYS HB3 H 1 2.7450 . . . . . . A 54 CYS HB3 . 25423 1
73 . 1 1 6 6 CYS CA C 13 56.1820 . . . . . . A 54 CYS CA . 25423 1
74 . 1 1 6 6 CYS CB C 13 29.8690 . . . . . . A 54 CYS CB . 25423 1
75 . 1 1 6 6 CYS N N 15 115.8190 . . . . . . A 54 CYS N . 25423 1
76 . 1 1 7 7 PHE H H 1 8.7900 . . . . . . A 55 PHE H . 25423 1
77 . 1 1 7 7 PHE HA H 1 4.4980 . . . . . . A 55 PHE HA . 25423 1
78 . 1 1 7 7 PHE HB2 H 1 1.2540 . . . . . . A 55 PHE HB2 . 25423 1
79 . 1 1 7 7 PHE HB3 H 1 1.7290 . . . . . . A 55 PHE HB3 . 25423 1
80 . 1 1 7 7 PHE HD1 H 1 6.6920 . . . . . . A 55 PHE HD1 . 25423 1
81 . 1 1 7 7 PHE HD2 H 1 6.6920 . . . . . . A 55 PHE HD2 . 25423 1
82 . 1 1 7 7 PHE HE1 H 1 7.1670 . . . . . . A 55 PHE HE1 . 25423 1
83 . 1 1 7 7 PHE HE2 H 1 7.1670 . . . . . . A 55 PHE HE2 . 25423 1
84 . 1 1 7 7 PHE CA C 13 55.6900 . . . . . . A 55 PHE CA . 25423 1
85 . 1 1 7 7 PHE CB C 13 39.9810 . . . . . . A 55 PHE CB . 25423 1
86 . 1 1 7 7 PHE N N 15 119.0440 . . . . . . A 55 PHE N . 25423 1
87 . 1 1 8 8 ASN H H 1 8.4830 . . . . . . A 56 ASN HN . 25423 1
88 . 1 1 8 8 ASN HA H 1 5.3350 . . . . . . A 56 ASN HA . 25423 1
89 . 1 1 8 8 ASN HB2 H 1 2.4300 . . . . . . A 56 ASN HB2 . 25423 1
90 . 1 1 8 8 ASN HB3 H 1 2.4500 . . . . . . A 56 ASN HB3 . 25423 1
91 . 1 1 8 8 ASN HD21 H 1 6.5850 . . . . . . A 56 ASN HD21 . 25423 1
92 . 1 1 8 8 ASN HD22 H 1 7.2160 . . . . . . A 56 ASN HD22 . 25423 1
93 . 1 1 8 8 ASN CA C 13 51.2470 . . . . . . A 56 ASN CA . 25423 1
94 . 1 1 8 8 ASN CB C 13 40.3030 . . . . . . A 56 ASN CB . 25423 1
95 . 1 1 8 8 ASN N N 15 119.2540 . . . . . . A 56 ASN N . 25423 1
96 . 1 1 8 8 ASN ND2 N 15 112.9680 . . . . . . A 56 ASN ND2 . 25423 1
97 . 1 1 9 9 CYS H H 1 9.4040 . . . . . . A 57 CYS H . 25423 1
98 . 1 1 9 9 CYS HA H 1 4.9050 . . . . . . A 57 CYS HA . 25423 1
99 . 1 1 9 9 CYS HB2 H 1 3.0680 . . . . . . A 57 CYS HB2 . 25423 1
100 . 1 1 9 9 CYS HB3 H 1 3.5250 . . . . . . A 57 CYS HB3 . 25423 1
101 . 1 1 9 9 CYS CA C 13 57.4160 . . . . . . A 57 CYS CA . 25423 1
102 . 1 1 9 9 CYS CB C 13 29.7870 . . . . . . A 57 CYS CB . 25423 1
103 . 1 1 9 9 CYS N N 15 127.4390 . . . . . . A 57 CYS N . 25423 1
104 . 1 1 10 10 PRO HA H 1 4.5740 . . . . . . A 58 PRO HA . 25423 1
105 . 1 1 10 10 PRO HB2 H 1 2.4030 . . . . . . A 58 PRO HB2 . 25423 1
106 . 1 1 10 10 PRO HB3 H 1 2.0590 . . . . . . A 58 PRO HB3 . 25423 1
107 . 1 1 10 10 PRO HG2 H 1 2.2260 . . . . . . A 58 PRO HG2 . 25423 1
108 . 1 1 10 10 PRO HG3 H 1 1.9870 . . . . . . A 58 PRO HG3 . 25423 1
109 . 1 1 10 10 PRO HD2 H 1 4.2470 . . . . . . A 58 PRO HD2 . 25423 1
110 . 1 1 10 10 PRO HD3 H 1 4.3670 . . . . . . A 58 PRO HD3 . 25423 1
111 . 1 1 10 10 PRO CA C 13 63.7960 . . . . . . A 58 PRO CA . 25423 1
112 . 1 1 10 10 PRO CB C 13 31.9120 . . . . . . A 58 PRO CB . 25423 1
113 . 1 1 10 10 PRO CG C 13 26.6640 . . . . . . A 58 PRO CG . 25423 1
114 . 1 1 10 10 PRO CD C 13 51.3210 . . . . . . A 58 PRO CD . 25423 1
115 . 1 1 11 11 ILE H H 1 9.0060 . . . . . . A 59 ILE HN . 25423 1
116 . 1 1 11 11 ILE HA H 1 3.9190 . . . . . . A 59 ILE HA . 25423 1
117 . 1 1 11 11 ILE HB H 1 0.9530 . . . . . . A 59 ILE HB . 25423 1
118 . 1 1 11 11 ILE HG12 H 1 1.0390 . . . . . . A 59 ILE HG12 . 25423 1
119 . 1 1 11 11 ILE HG13 H 1 1.1590 . . . . . . A 59 ILE HG13 . 25423 1
120 . 1 1 11 11 ILE HG21 H 1 0.2510 . . . . . . A 59 ILE HG21 . 25423 1
121 . 1 1 11 11 ILE HG22 H 1 0.2510 . . . . . . A 59 ILE HG22 . 25423 1
122 . 1 1 11 11 ILE HG23 H 1 0.2510 . . . . . . A 59 ILE HG23 . 25423 1
123 . 1 1 11 11 ILE HD11 H 1 0.6150 . . . . . . A 59 ILE HD11 . 25423 1
124 . 1 1 11 11 ILE HD12 H 1 0.6150 . . . . . . A 59 ILE HD12 . 25423 1
125 . 1 1 11 11 ILE HD13 H 1 0.6150 . . . . . . A 59 ILE HD13 . 25423 1
126 . 1 1 11 11 ILE CA C 13 62.0840 . . . . . . A 59 ILE CA . 25423 1
127 . 1 1 11 11 ILE CB C 13 38.5490 . . . . . . A 59 ILE CB . 25423 1
128 . 1 1 11 11 ILE CG1 C 13 28.1330 . . . . . . A 59 ILE CG1 . 25423 1
129 . 1 1 11 11 ILE CG2 C 13 16.5120 . . . . . . A 59 ILE CG2 . 25423 1
130 . 1 1 11 11 ILE CD1 C 13 11.9400 . . . . . . A 59 ILE CD1 . 25423 1
131 . 1 1 11 11 ILE N N 15 122.5150 . . . . . . A 59 ILE N . 25423 1
132 . 1 1 12 12 CYS H H 1 8.4500 . . . . . . A 60 CYS H . 25423 1
133 . 1 1 12 12 CYS HA H 1 5.1230 . . . . . . A 60 CYS HA . 25423 1
134 . 1 1 12 12 CYS HB2 H 1 3.4550 . . . . . . A 60 CYS HB2 . 25423 1
135 . 1 1 12 12 CYS HB3 H 1 2.7330 . . . . . . A 60 CYS HB3 . 25423 1
136 . 1 1 12 12 CYS CA C 13 57.9240 . . . . . . A 60 CYS CA . 25423 1
137 . 1 1 12 12 CYS CB C 13 31.8560 . . . . . . A 60 CYS CB . 25423 1
138 . 1 1 12 12 CYS N N 15 119.6200 . . . . . . A 60 CYS N . 25423 1
139 . 1 1 13 13 ASP H H 1 8.0690 . . . . . . A 61 ASP H . 25423 1
140 . 1 1 13 13 ASP HA H 1 4.6740 . . . . . . A 61 ASP HA . 25423 1
141 . 1 1 13 13 ASP HB2 H 1 2.7870 . . . . . . A 61 ASP HB2 . 25423 1
142 . 1 1 13 13 ASP HB3 H 1 2.8990 . . . . . . A 61 ASP HB3 . 25423 1
143 . 1 1 13 13 ASP CA C 13 55.8980 . . . . . . A 61 ASP CA . 25423 1
144 . 1 1 13 13 ASP CB C 13 40.4490 . . . . . . A 61 ASP CB . 25423 1
145 . 1 1 13 13 ASP N N 15 119.4530 . . . . . . A 61 ASP N . 25423 1
146 . 1 1 14 14 LYS H H 1 8.1260 . . . . . . A 62 LYS H . 25423 1
147 . 1 1 14 14 LYS HA H 1 4.0010 . . . . . . A 62 LYS HA . 25423 1
148 . 1 1 14 14 LYS HB2 H 1 1.2650 . . . . . . A 62 LYS HB2 . 25423 1
149 . 1 1 14 14 LYS HB3 H 1 1.7880 . . . . . . A 62 LYS HB3 . 25423 1
150 . 1 1 14 14 LYS HG2 H 1 1.2690 . . . . . . A 62 LYS HG2 . 25423 1
151 . 1 1 14 14 LYS HG3 H 1 0.8280 . . . . . . A 62 LYS HG3 . 25423 1
152 . 1 1 14 14 LYS HD2 H 1 1.1830 . . . . . . A 62 LYS HD2 . 25423 1
153 . 1 1 14 14 LYS HD3 H 1 1.4380 . . . . . . A 62 LYS HD3 . 25423 1
154 . 1 1 14 14 LYS HE2 H 1 2.5950 . . . . . . A 62 LYS HE2 . 25423 1
155 . 1 1 14 14 LYS HE3 H 1 2.7660 . . . . . . A 62 LYS HE3 . 25423 1
156 . 1 1 14 14 LYS CA C 13 58.1440 . . . . . . A 62 LYS CA . 25423 1
157 . 1 1 14 14 LYS CB C 13 33.8710 . . . . . . A 62 LYS CB . 25423 1
158 . 1 1 14 14 LYS CG C 13 25.4960 . . . . . . A 62 LYS CG . 25423 1
159 . 1 1 14 14 LYS CD C 13 28.8750 . . . . . . A 62 LYS CD . 25423 1
160 . 1 1 14 14 LYS CE C 13 41.3900 . . . . . . A 62 LYS CE . 25423 1
161 . 1 1 14 14 LYS N N 15 122.8650 . . . . . . A 62 LYS N . 25423 1
162 . 1 1 15 15 ILE H H 1 7.8380 . . . . . . A 63 ILE HN . 25423 1
163 . 1 1 15 15 ILE HA H 1 4.8440 . . . . . . A 63 ILE HA . 25423 1
164 . 1 1 15 15 ILE HB H 1 1.4830 . . . . . . A 63 ILE HB . 25423 1
165 . 1 1 15 15 ILE HG12 H 1 1.5560 . . . . . . A 63 ILE HG12 . 25423 1
166 . 1 1 15 15 ILE HG13 H 1 0.9660 . . . . . . A 63 ILE HG13 . 25423 1
167 . 1 1 15 15 ILE HG21 H 1 0.7200 . . . . . . A 63 ILE HG21 . 25423 1
168 . 1 1 15 15 ILE HG22 H 1 0.7200 . . . . . . A 63 ILE HG22 . 25423 1
169 . 1 1 15 15 ILE HG23 H 1 0.7200 . . . . . . A 63 ILE HG23 . 25423 1
170 . 1 1 15 15 ILE HD11 H 1 0.7550 . . . . . . A 63 ILE HD11 . 25423 1
171 . 1 1 15 15 ILE HD12 H 1 0.7550 . . . . . . A 63 ILE HD12 . 25423 1
172 . 1 1 15 15 ILE HD13 H 1 0.7550 . . . . . . A 63 ILE HD13 . 25423 1
173 . 1 1 15 15 ILE CA C 13 59.8550 . . . . . . A 63 ILE CA . 25423 1
174 . 1 1 15 15 ILE CB C 13 39.9090 . . . . . . A 63 ILE CB . 25423 1
175 . 1 1 15 15 ILE CG1 C 13 27.3460 . . . . . . A 63 ILE CG1 . 25423 1
176 . 1 1 15 15 ILE CG2 C 13 17.5530 . . . . . . A 63 ILE CG2 . 25423 1
177 . 1 1 15 15 ILE CD1 C 13 13.2510 . . . . . . A 63 ILE CD1 . 25423 1
178 . 1 1 15 15 ILE N N 15 123.3980 . . . . . . A 63 ILE N . 25423 1
179 . 1 1 16 16 PHE H H 1 9.0540 . . . . . . A 64 PHE H . 25423 1
180 . 1 1 16 16 PHE HA H 1 4.8650 . . . . . . A 64 PHE HA . 25423 1
181 . 1 1 16 16 PHE HB2 H 1 3.1060 . . . . . . A 64 PHE HB2 . 25423 1
182 . 1 1 16 16 PHE HB3 H 1 2.6990 . . . . . . A 64 PHE HB3 . 25423 1
183 . 1 1 16 16 PHE HD1 H 1 7.3500 . . . . . . A 64 PHE HD1 . 25423 1
184 . 1 1 16 16 PHE HD2 H 1 7.3500 . . . . . . A 64 PHE HD2 . 25423 1
185 . 1 1 16 16 PHE HE1 H 1 6.8420 . . . . . . A 64 PHE HE1 . 25423 1
186 . 1 1 16 16 PHE HE2 H 1 6.8420 . . . . . . A 64 PHE HE2 . 25423 1
187 . 1 1 16 16 PHE HZ H 1 6.3690 . . . . . . A 64 PHE HZ . 25423 1
188 . 1 1 16 16 PHE CA C 13 54.2690 . . . . . . A 64 PHE CA . 25423 1
189 . 1 1 16 16 PHE CB C 13 41.3930 . . . . . . A 64 PHE CB . 25423 1
190 . 1 1 16 16 PHE N N 15 124.9210 . . . . . . A 64 PHE N . 25423 1
191 . 1 1 17 17 PRO HA H 1 4.6110 . . . . . . A 65 PRO HA . 25423 1
192 . 1 1 17 17 PRO HB2 H 1 2.3740 . . . . . . A 65 PRO HB2 . 25423 1
193 . 1 1 17 17 PRO HB3 H 1 1.9930 . . . . . . A 65 PRO HB3 . 25423 1
194 . 1 1 17 17 PRO HG2 H 1 1.9810 . . . . . . A 65 PRO HG2 . 25423 1
195 . 1 1 17 17 PRO HG3 H 1 1.9810 . . . . . . A 65 PRO HG3 . 25423 1
196 . 1 1 17 17 PRO HD2 H 1 3.8400 . . . . . . A 65 PRO HD2 . 25423 1
197 . 1 1 17 17 PRO HD3 H 1 3.7520 . . . . . . A 65 PRO HD3 . 25423 1
198 . 1 1 17 17 PRO CA C 13 62.0500 . . . . . . A 65 PRO CA . 25423 1
199 . 1 1 17 17 PRO CB C 13 32.6250 . . . . . . A 65 PRO CB . 25423 1
200 . 1 1 17 17 PRO CG C 13 27.4870 . . . . . . A 65 PRO CG . 25423 1
201 . 1 1 17 17 PRO CD C 13 50.4210 . . . . . . A 65 PRO CD . 25423 1
202 . 1 1 18 18 ALA H H 1 8.2710 . . . . . . A 66 ALA H . 25423 1
203 . 1 1 18 18 ALA HA H 1 3.7790 . . . . . . A 66 ALA HA . 25423 1
204 . 1 1 18 18 ALA HB1 H 1 1.0980 . . . . . . A 66 ALA HB1 . 25423 1
205 . 1 1 18 18 ALA HB2 H 1 1.0980 . . . . . . A 66 ALA HB2 . 25423 1
206 . 1 1 18 18 ALA HB3 H 1 1.0980 . . . . . . A 66 ALA HB3 . 25423 1
207 . 1 1 18 18 ALA CA C 13 53.8620 . . . . . . A 66 ALA CA . 25423 1
208 . 1 1 18 18 ALA CB C 13 18.1440 . . . . . . A 66 ALA CB . 25423 1
209 . 1 1 18 18 ALA N N 15 121.9230 . . . . . . A 66 ALA N . 25423 1
210 . 1 1 19 19 THR H H 1 7.1750 . . . . . . A 67 THR HN . 25423 1
211 . 1 1 19 19 THR HA H 1 4.2320 . . . . . . A 67 THR HA . 25423 1
212 . 1 1 19 19 THR HB H 1 4.4910 . . . . . . A 67 THR HB . 25423 1
213 . 1 1 19 19 THR HG21 H 1 1.2520 . . . . . . A 67 THR HG21 . 25423 1
214 . 1 1 19 19 THR HG22 H 1 1.2520 . . . . . . A 67 THR HG22 . 25423 1
215 . 1 1 19 19 THR HG23 H 1 1.2520 . . . . . . A 67 THR HG23 . 25423 1
216 . 1 1 19 19 THR CA C 13 61.8240 . . . . . . A 67 THR CA . 25423 1
217 . 1 1 19 19 THR CB C 13 68.1030 . . . . . . A 67 THR CB . 25423 1
218 . 1 1 19 19 THR CG2 C 13 22.3260 . . . . . . A 67 THR CG2 . 25423 1
219 . 1 1 19 19 THR N N 15 104.0760 . . . . . . A 67 THR N . 25423 1
220 . 1 1 20 20 GLU H H 1 7.8790 . . . . . . A 68 GLU H . 25423 1
221 . 1 1 20 20 GLU HA H 1 4.9230 . . . . . . A 68 GLU HA . 25423 1
222 . 1 1 20 20 GLU HB2 H 1 2.6000 . . . . . . A 68 GLU HB2 . 25423 1
223 . 1 1 20 20 GLU HB3 H 1 1.9530 . . . . . . A 68 GLU HB3 . 25423 1
224 . 1 1 20 20 GLU HG2 H 1 2.2920 . . . . . . A 68 GLU HG2 . 25423 1
225 . 1 1 20 20 GLU HG3 H 1 2.1560 . . . . . . A 68 GLU HG3 . 25423 1
226 . 1 1 20 20 GLU CA C 13 54.3370 . . . . . . A 68 GLU CA . 25423 1
227 . 1 1 20 20 GLU CB C 13 28.2870 . . . . . . A 68 GLU CB . 25423 1
228 . 1 1 20 20 GLU CG C 13 35.5800 . . . . . . A 68 GLU CG . 25423 1
229 . 1 1 20 20 GLU N N 15 122.7880 . . . . . . A 68 GLU N . 25423 1
230 . 1 1 21 21 LYS H H 1 7.6270 . . . . . . A 69 LYS H . 25423 1
231 . 1 1 21 21 LYS HA H 1 3.4340 . . . . . . A 69 LYS HA . 25423 1
232 . 1 1 21 21 LYS HB2 H 1 1.7470 . . . . . . A 69 LYS HB2 . 25423 1
233 . 1 1 21 21 LYS HB3 H 1 1.9090 . . . . . . A 69 LYS HB3 . 25423 1
234 . 1 1 21 21 LYS HG2 H 1 0.9700 . . . . . . A 69 LYS HG2 . 25423 1
235 . 1 1 21 21 LYS HG3 H 1 1.2340 . . . . . . A 69 LYS HG3 . 25423 1
236 . 1 1 21 21 LYS HD2 H 1 1.5690 . . . . . . A 69 LYS HD2 . 25423 1
237 . 1 1 21 21 LYS HD3 H 1 1.6680 . . . . . . A 69 LYS HD3 . 25423 1
238 . 1 1 21 21 LYS HE2 H 1 2.8860 . . . . . . A 69 LYS HE2 . 25423 1
239 . 1 1 21 21 LYS HE3 H 1 2.8860 . . . . . . A 69 LYS HE3 . 25423 1
240 . 1 1 21 21 LYS CA C 13 60.4100 . . . . . . A 69 LYS CA . 25423 1
241 . 1 1 21 21 LYS CB C 13 32.3000 . . . . . . A 69 LYS CB . 25423 1
242 . 1 1 21 21 LYS CG C 13 24.5370 . . . . . . A 69 LYS CG . 25423 1
243 . 1 1 21 21 LYS CD C 13 29.3020 . . . . . . A 69 LYS CD . 25423 1
244 . 1 1 21 21 LYS CE C 13 41.6320 . . . . . . A 69 LYS CE . 25423 1
245 . 1 1 21 21 LYS N N 15 121.1360 . . . . . . A 69 LYS N . 25423 1
246 . 1 1 22 22 GLN H H 1 8.5030 . . . . . . A 70 GLN HN . 25423 1
247 . 1 1 22 22 GLN HA H 1 3.9180 . . . . . . A 70 GLN HA . 25423 1
248 . 1 1 22 22 GLN HB2 H 1 1.9750 . . . . . . A 70 GLN HB2 . 25423 1
249 . 1 1 22 22 GLN HB3 H 1 2.0410 . . . . . . A 70 GLN HB3 . 25423 1
250 . 1 1 22 22 GLN HG2 H 1 2.3070 . . . . . . A 70 GLN HG2 . 25423 1
251 . 1 1 22 22 GLN HG3 H 1 2.3070 . . . . . . A 70 GLN HG# . 25423 1
252 . 1 1 22 22 GLN HE21 H 1 7.6720 . . . . . . A 70 GLN HE21 . 25423 1
253 . 1 1 22 22 GLN HE22 H 1 6.8910 . . . . . . A 70 GLN HE22 . 25423 1
254 . 1 1 22 22 GLN CA C 13 58.6630 . . . . . . A 70 GLN CA . 25423 1
255 . 1 1 22 22 GLN CB C 13 27.7530 . . . . . . A 70 GLN CB . 25423 1
256 . 1 1 22 22 GLN CG C 13 33.6290 . . . . . . A 70 GLN CG . 25423 1
257 . 1 1 22 22 GLN N N 15 117.0130 . . . . . . A 70 GLN N . 25423 1
258 . 1 1 22 22 GLN NE2 N 15 115.3770 . . . . . . A 70 GLN NE2 . 25423 1
259 . 1 1 23 23 ILE H H 1 7.3080 . . . . . . A 71 ILE HN . 25423 1
260 . 1 1 23 23 ILE HA H 1 3.7550 . . . . . . A 71 ILE HA . 25423 1
261 . 1 1 23 23 ILE HB H 1 1.9450 . . . . . . A 71 ILE HB . 25423 1
262 . 1 1 23 23 ILE HG12 H 1 1.2390 . . . . . . A 71 ILE HG12 . 25423 1
263 . 1 1 23 23 ILE HG13 H 1 1.6340 . . . . . . A 71 ILE HG13 . 25423 1
264 . 1 1 23 23 ILE HG21 H 1 1.0710 . . . . . . A 71 ILE HG21 . 25423 1
265 . 1 1 23 23 ILE HG22 H 1 1.0710 . . . . . . A 71 ILE HG22 . 25423 1
266 . 1 1 23 23 ILE HG23 H 1 1.0710 . . . . . . A 71 ILE HG23 . 25423 1
267 . 1 1 23 23 ILE HD11 H 1 0.8950 . . . . . . A 71 ILE HD11 . 25423 1
268 . 1 1 23 23 ILE HD12 H 1 0.8950 . . . . . . A 71 ILE HD12 . 25423 1
269 . 1 1 23 23 ILE HD13 H 1 0.8950 . . . . . . A 71 ILE HD13 . 25423 1
270 . 1 1 23 23 ILE CA C 13 63.8450 . . . . . . A 71 ILE CA . 25423 1
271 . 1 1 23 23 ILE CB C 13 37.6370 . . . . . . A 71 ILE CB . 25423 1
272 . 1 1 23 23 ILE CG1 C 13 28.7280 . . . . . . A 71 ILE CG1 . 25423 1
273 . 1 1 23 23 ILE CG2 C 13 17.4830 . . . . . . A 71 ILE CG2 . 25423 1
274 . 1 1 23 23 ILE CD1 C 13 12.3890 . . . . . . A 71 ILE CD1 . 25423 1
275 . 1 1 23 23 ILE N N 15 119.5880 . . . . . . A 71 ILE N . 25423 1
276 . 1 1 24 24 PHE H H 1 8.0430 . . . . . . A 72 PHE H . 25423 1
277 . 1 1 24 24 PHE HA H 1 2.9670 . . . . . . A 72 PHE HA . 25423 1
278 . 1 1 24 24 PHE HB2 H 1 2.7740 . . . . . . A 72 PHE HB2 . 25423 1
279 . 1 1 24 24 PHE HB3 H 1 2.4070 . . . . . . A 72 PHE HB3 . 25423 1
280 . 1 1 24 24 PHE HD1 H 1 6.5420 . . . . . . A 72 PHE HD1 . 25423 1
281 . 1 1 24 24 PHE HD2 H 1 6.5420 . . . . . . A 72 PHE HD2 . 25423 1
282 . 1 1 24 24 PHE HE1 H 1 6.9730 . . . . . . A 72 PHE HE1 . 25423 1
283 . 1 1 24 24 PHE HE2 H 1 6.9730 . . . . . . A 72 PHE HE2 . 25423 1
284 . 1 1 24 24 PHE HZ H 1 7.2490 . . . . . . A 72 PHE HZ . 25423 1
285 . 1 1 24 24 PHE CA C 13 59.4360 . . . . . . A 72 PHE CA . 25423 1
286 . 1 1 24 24 PHE CB C 13 37.4060 . . . . . . A 72 PHE CB . 25423 1
287 . 1 1 24 24 PHE N N 15 122.3930 . . . . . . A 72 PHE N . 25423 1
288 . 1 1 25 25 GLU H H 1 8.3070 . . . . . . A 73 GLU H . 25423 1
289 . 1 1 25 25 GLU HA H 1 3.2350 . . . . . . A 73 GLU HA . 25423 1
290 . 1 1 25 25 GLU HB2 H 1 1.7820 . . . . . . A 73 GLU HB2 . 25423 1
291 . 1 1 25 25 GLU HB3 H 1 1.9120 . . . . . . A 73 GLU HB3 . 25423 1
292 . 1 1 25 25 GLU HG2 H 1 1.9950 . . . . . . A 73 GLU HG2 . 25423 1
293 . 1 1 25 25 GLU HG3 H 1 2.4050 . . . . . . A 73 GLU HG3 . 25423 1
294 . 1 1 25 25 GLU CA C 13 59.3760 . . . . . . A 73 GLU CA . 25423 1
295 . 1 1 25 25 GLU CB C 13 28.4690 . . . . . . A 73 GLU CB . 25423 1
296 . 1 1 25 25 GLU CG C 13 36.8260 . . . . . . A 73 GLU CG . 25423 1
297 . 1 1 25 25 GLU N N 15 119.3500 . . . . . . A 73 GLU N . 25423 1
298 . 1 1 26 26 ASP H H 1 8.1300 . . . . . . A 74 ASP H . 25423 1
299 . 1 1 26 26 ASP HA H 1 4.3680 . . . . . . A 74 ASP HA . 25423 1
300 . 1 1 26 26 ASP HB2 H 1 2.6610 . . . . . . A 74 ASP HB2 . 25423 1
301 . 1 1 26 26 ASP HB3 H 1 2.5790 . . . . . . A 74 ASP HB3 . 25423 1
302 . 1 1 26 26 ASP CA C 13 56.8890 . . . . . . A 74 ASP CA . 25423 1
303 . 1 1 26 26 ASP CB C 13 40.2110 . . . . . . A 74 ASP CB . 25423 1
304 . 1 1 26 26 ASP N N 15 120.0850 . . . . . . A 74 ASP N . 25423 1
305 . 1 1 27 27 HIS H H 1 8.0370 . . . . . . A 75 HIS H . 25423 1
306 . 1 1 27 27 HIS HA H 1 3.9880 . . . . . . A 75 HIS HA . 25423 1
307 . 1 1 27 27 HIS HB2 H 1 3.0590 . . . . . . A 75 HIS HB2 . 25423 1
308 . 1 1 27 27 HIS HB3 H 1 3.4280 . . . . . . A 75 HIS HB3 . 25423 1
309 . 1 1 27 27 HIS HD2 H 1 6.9970 . . . . . . A 75 HIS HD2 . 25423 1
310 . 1 1 27 27 HIS HE1 H 1 7.9390 . . . . . . A 75 HIS HE1 . 25423 1
311 . 1 1 27 27 HIS CA C 13 59.7290 . . . . . . A 75 HIS CA . 25423 1
312 . 1 1 27 27 HIS CB C 13 27.2800 . . . . . . A 75 HIS CB . 25423 1
313 . 1 1 27 27 HIS N N 15 120.7120 . . . . . . A 75 HIS N . 25423 1
314 . 1 1 28 28 VAL H H 1 8.1680 . . . . . . A 76 VAL HN . 25423 1
315 . 1 1 28 28 VAL HA H 1 3.4380 . . . . . . A 76 VAL HA . 25423 1
316 . 1 1 28 28 VAL HB H 1 1.7260 . . . . . . A 76 VAL HB . 25423 1
317 . 1 1 28 28 VAL HG11 H 1 0.7600 . . . . . . A 76 VAL HG11 . 25423 1
318 . 1 1 28 28 VAL HG12 H 1 0.7600 . . . . . . A 76 VAL HG12 . 25423 1
319 . 1 1 28 28 VAL HG13 H 1 0.7600 . . . . . . A 76 VAL HG13 . 25423 1
320 . 1 1 28 28 VAL HG21 H 1 0.8190 . . . . . . A 76 VAL HG21 . 25423 1
321 . 1 1 28 28 VAL HG22 H 1 0.8190 . . . . . . A 76 VAL HG22 . 25423 1
322 . 1 1 28 28 VAL HG23 H 1 0.8190 . . . . . . A 76 VAL HG23 . 25423 1
323 . 1 1 28 28 VAL CA C 13 67.0430 . . . . . . A 76 VAL CA . 25423 1
324 . 1 1 28 28 VAL CB C 13 31.6480 . . . . . . A 76 VAL CB . 25423 1
325 . 1 1 28 28 VAL CG1 C 13 23.0760 . . . . . . A 76 VAL CG1 . 25423 1
326 . 1 1 28 28 VAL CG2 C 13 21.1440 . . . . . . A 76 VAL CG2 . 25423 1
327 . 1 1 28 28 VAL N N 15 119.2760 . . . . . . A 76 VAL N . 25423 1
328 . 1 1 29 29 PHE H H 1 7.9500 . . . . . . A 77 PHE H . 25423 1
329 . 1 1 29 29 PHE HA H 1 4.1840 . . . . . . A 77 PHE HA . 25423 1
330 . 1 1 29 29 PHE HB2 H 1 3.1850 . . . . . . A 77 PHE HB2 . 25423 1
331 . 1 1 29 29 PHE HB3 H 1 3.1850 . . . . . . A 77 PHE HB3 . 25423 1
332 . 1 1 29 29 PHE HD1 H 1 7.2080 . . . . . . A 77 PHE HD1 . 25423 1
333 . 1 1 29 29 PHE HD2 H 1 7.2080 . . . . . . A 77 PHE HD2 . 25423 1
334 . 1 1 29 29 PHE HE1 H 1 7.2360 . . . . . . A 77 PHE HE1 . 25423 1
335 . 1 1 29 29 PHE HE2 H 1 7.2360 . . . . . . A 77 PHE HE2 . 25423 1
336 . 1 1 29 29 PHE CA C 13 60.5380 . . . . . . A 77 PHE CA . 25423 1
337 . 1 1 29 29 PHE CB C 13 38.6160 . . . . . . A 77 PHE CB . 25423 1
338 . 1 1 29 29 PHE N N 15 120.8830 . . . . . . A 77 PHE N . 25423 1
339 . 1 1 30 30 CYS H H 1 8.0170 . . . . . . A 78 CYS H . 25423 1
340 . 1 1 30 30 CYS HA H 1 3.9300 . . . . . . A 78 CYS HA . 25423 1
341 . 1 1 30 30 CYS HB2 H 1 2.7110 . . . . . . A 78 CYS HB2 . 25423 1
342 . 1 1 30 30 CYS HB3 H 1 2.8200 . . . . . . A 78 CYS HB3 . 25423 1
343 . 1 1 30 30 CYS CA C 13 62.3750 . . . . . . A 78 CYS CA . 25423 1
344 . 1 1 30 30 CYS CB C 13 26.0950 . . . . . . A 78 CYS CB . 25423 1
345 . 1 1 30 30 CYS N N 15 116.9560 . . . . . . A 78 CYS N . 25423 1
346 . 1 1 31 31 HIS H H 1 7.2290 . . . . . . A 79 HIS H . 25423 1
347 . 1 1 31 31 HIS HA H 1 4.3870 . . . . . . A 79 HIS HA . 25423 1
348 . 1 1 31 31 HIS HB2 H 1 3.2230 . . . . . . A 79 HIS HB2 . 25423 1
349 . 1 1 31 31 HIS HB3 H 1 3.0980 . . . . . . A 79 HIS HB3 . 25423 1
350 . 1 1 31 31 HIS HD2 H 1 6.6190 . . . . . . A 79 HIS HD2 . 25423 1
351 . 1 1 31 31 HIS HE1 H 1 7.9920 . . . . . . A 79 HIS HE1 . 25423 1
352 . 1 1 31 31 HIS CA C 13 57.9100 . . . . . . A 79 HIS CA . 25423 1
353 . 1 1 31 31 HIS CB C 13 28.4750 . . . . . . A 79 HIS CB . 25423 1
354 . 1 1 31 31 HIS N N 15 117.0410 . . . . . . A 79 HIS N . 25423 1
355 . 1 1 32 32 SER H H 1 7.9020 . . . . . . A 80 SER H . 25423 1
356 . 1 1 32 32 SER HA H 1 4.3430 . . . . . . A 80 SER HA . 25423 1
357 . 1 1 32 32 SER HB2 H 1 3.7810 . . . . . . A 80 SER HB2 . 25423 1
358 . 1 1 32 32 SER HB3 H 1 3.7810 . . . . . . A 80 SER HB3 . 25423 1
359 . 1 1 32 32 SER CA C 13 58.4480 . . . . . . A 80 SER CA . 25423 1
360 . 1 1 32 32 SER CB C 13 63.4710 . . . . . . A 80 SER CB . 25423 1
361 . 1 1 32 32 SER N N 15 114.6840 . . . . . . A 80 SER N . 25423 1
362 . 1 1 33 33 LEU H H 1 7.1050 . . . . . . A 81 LEU HN . 25423 1
363 . 1 1 33 33 LEU HA H 1 4.0130 . . . . . . A 81 LEU HA . 25423 1
364 . 1 1 33 33 LEU HB2 H 1 1.4350 . . . . . . A 81 LEU HB2 . 25423 1
365 . 1 1 33 33 LEU HB3 H 1 1.5510 . . . . . . A 81 LEU HB3 . 25423 1
366 . 1 1 33 33 LEU HG H 1 1.3610 . . . . . . A 81 LEU HG . 25423 1
367 . 1 1 33 33 LEU HD11 H 1 0.8310 . . . . . . A 81 LEU HD11 . 25423 1
368 . 1 1 33 33 LEU HD12 H 1 0.8310 . . . . . . A 81 LEU HD12 . 25423 1
369 . 1 1 33 33 LEU HD13 H 1 0.8310 . . . . . . A 81 LEU HD13 . 25423 1
370 . 1 1 33 33 LEU HD21 H 1 0.6860 . . . . . . A 81 LEU HD21 . 25423 1
371 . 1 1 33 33 LEU HD22 H 1 0.6860 . . . . . . A 81 LEU HD22 . 25423 1
372 . 1 1 33 33 LEU HD23 H 1 0.6860 . . . . . . A 81 LEU HD23 . 25423 1
373 . 1 1 33 33 LEU CA C 13 56.2060 . . . . . . A 81 LEU CA . 25423 1
374 . 1 1 33 33 LEU CB C 13 42.6170 . . . . . . A 81 LEU CB . 25423 1
375 . 1 1 33 33 LEU CG C 13 26.6330 . . . . . . A 81 LEU CG . 25423 1
376 . 1 1 33 33 LEU CD1 C 13 25.3360 . . . . . . A 81 LEU CD1 . 25423 1
377 . 1 1 33 33 LEU CD2 C 13 22.4850 . . . . . . A 81 LEU CD2 . 25423 1
378 . 1 1 33 33 LEU N N 15 128.5350 . . . . . . A 81 LEU N . 25423 1
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