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 15350
_Assigned_chem_shift_list.ID 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 $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
1 '2D 1H-15N HSQC' . . . 15350 1
2 '3D HNCO' . . . 15350 1
3 '3D HNCACB' . . . 15350 1
4 '2D 1H-13C HSQC ALIPH' . . . 15350 1
5 '2D 1H-13C HSQC ALIPH 13C-Coupled' . . . 15350 1
6 '3D HCCH-TOCSY' . . . 15350 1
7 '3D CBCA(CO)NH' . . . 15350 1
11 '3D H(CCO)NH' . . . 15350 1
12 '3D C(CO)NH' . . . 15350 1
13 '3D 1H-13C NOESY AROMATIC' . . . 15350 1
14 '2D 1H-13C HSQC AROMATIC' . . . 15350 1
15 '2D 1H-15N HSQC NH2' . . . 15350 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 $VNMRJ . . 15350 1
2 $NMRPipe . . 15350 1
3 $NMRDraw . . 15350 1
8 $Smartnotebook . . 15350 1
9 $NMRView . . 15350 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.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 MET HE1 H 1 1.900 0.05 . 1 . . . . . 1 M HE1 . 15350 1
2 . 1 1 1 1 MET HE2 H 1 1.900 0.05 . 1 . . . . . 1 M HE1 . 15350 1
3 . 1 1 1 1 MET HE3 H 1 1.900 0.05 . 1 . . . . . 1 M HE1 . 15350 1
4 . 1 1 1 1 MET CE C 13 16.510 0.5 . 1 . . . . . 1 M CE . 15350 1
5 . 1 1 2 2 SER HA H 1 4.100 0.05 . 1 . . . . . 2 S HA . 15350 1
6 . 1 1 2 2 SER HB2 H 1 3.740 0.05 . 2 . . . . . 2 S HB1 . 15350 1
7 . 1 1 2 2 SER HB3 H 1 3.940 0.05 . 2 . . . . . 2 S HB2 . 15350 1
8 . 1 1 2 2 SER CA C 13 57.480 0.5 . 1 . . . . . 2 S CA . 15350 1
9 . 1 1 2 2 SER CB C 13 63.140 0.5 . 1 . . . . . 2 S CB . 15350 1
10 . 1 1 3 3 GLU H H 1 8.780 0.05 . 1 . . . . . 3 E HN . 15350 1
11 . 1 1 3 3 GLU HA H 1 4.150 0.05 . 1 . . . . . 3 E HA . 15350 1
12 . 1 1 3 3 GLU HG2 H 1 2.260 0.05 . 2 . . . . . 3 E HG2 . 15350 1
13 . 1 1 3 3 GLU CA C 13 55.800 0.5 . 1 . . . . . 3 E CA . 15350 1
14 . 1 1 3 3 GLU CB C 13 30.220 0.5 . 1 . . . . . 3 E CB . 15350 1
15 . 1 1 3 3 GLU CG C 13 35.950 0.5 . 1 . . . . . 3 E CG . 15350 1
16 . 1 1 3 3 GLU N N 15 122.130 0.5 . 1 . . . . . 3 E N . 15350 1
17 . 1 1 4 4 LEU H H 1 8.510 0.05 . 1 . . . . . 4 L HN . 15350 1
18 . 1 1 4 4 LEU HA H 1 2.580 0.05 . 1 . . . . . 4 L HA . 15350 1
19 . 1 1 4 4 LEU HB2 H 1 0.470 0.05 . 2 . . . . . 4 L HB1 . 15350 1
20 . 1 1 4 4 LEU HB3 H 1 1.070 0.05 . 2 . . . . . 4 L HB2 . 15350 1
21 . 1 1 4 4 LEU HD11 H 1 0.270 0.05 . 2 . . . . . 4 L HD11 . 15350 1
22 . 1 1 4 4 LEU HD12 H 1 0.270 0.05 . 2 . . . . . 4 L HD11 . 15350 1
23 . 1 1 4 4 LEU HD13 H 1 0.270 0.05 . 2 . . . . . 4 L HD11 . 15350 1
24 . 1 1 4 4 LEU HD21 H 1 0.370 0.05 . 2 . . . . . 4 L HD21 . 15350 1
25 . 1 1 4 4 LEU HD22 H 1 0.370 0.05 . 2 . . . . . 4 L HD21 . 15350 1
26 . 1 1 4 4 LEU HD23 H 1 0.370 0.05 . 2 . . . . . 4 L HD21 . 15350 1
27 . 1 1 4 4 LEU HG H 1 0.480 0.05 . 1 . . . . . 4 L HG . 15350 1
28 . 1 1 4 4 LEU CA C 13 56.840 0.5 . 1 . . . . . 4 L CA . 15350 1
29 . 1 1 4 4 LEU CB C 13 41.550 0.5 . 1 . . . . . 4 L CB . 15350 1
30 . 1 1 4 4 LEU CD1 C 13 23.820 0.5 . 1 . . . . . 4 L CD1 . 15350 1
31 . 1 1 4 4 LEU CD2 C 13 24.370 0.5 . 1 . . . . . 4 L CD2 . 15350 1
32 . 1 1 4 4 LEU CG C 13 26.050 0.5 . 1 . . . . . 4 L CG . 15350 1
33 . 1 1 4 4 LEU N N 15 128.210 0.5 . 1 . . . . . 4 L N . 15350 1
34 . 1 1 5 5 PHE HB2 H 1 3.430 0.05 . 2 . . . . . 5 F HB2 . 15350 1
35 . 1 1 5 5 PHE CB C 13 36.040 0.5 . 1 . . . . . 5 F CB . 15350 1
36 . 1 1 6 6 SER H H 1 7.450 0.05 . 1 . . . . . 6 S HN . 15350 1
37 . 1 1 6 6 SER HA H 1 4.290 0.05 . 1 . . . . . 6 S HA . 15350 1
38 . 1 1 6 6 SER HB2 H 1 3.670 0.05 . 2 . . . . . 6 S HB1 . 15350 1
39 . 1 1 6 6 SER HB3 H 1 3.860 0.05 . 2 . . . . . 6 S HB2 . 15350 1
40 . 1 1 6 6 SER CA C 13 58.050 0.5 . 1 . . . . . 6 S CA . 15350 1
41 . 1 1 6 6 SER CB C 13 65.770 0.5 . 1 . . . . . 6 S CB . 15350 1
42 . 1 1 6 6 SER N N 15 114.000 0.5 . 1 . . . . . 6 S N . 15350 1
43 . 1 1 7 7 VAL H H 1 9.200 0.05 . 1 . . . . . 7 V HN . 15350 1
44 . 1 1 7 7 VAL HA H 1 4.070 0.05 . 1 . . . . . 7 V HA . 15350 1
45 . 1 1 7 7 VAL HB H 1 2.320 0.05 . 1 . . . . . 7 V HB . 15350 1
46 . 1 1 7 7 VAL HG11 H 1 0.990 0.05 . 2 . . . . . 7 V HG11 . 15350 1
47 . 1 1 7 7 VAL HG12 H 1 0.990 0.05 . 2 . . . . . 7 V HG11 . 15350 1
48 . 1 1 7 7 VAL HG13 H 1 0.990 0.05 . 2 . . . . . 7 V HG11 . 15350 1
49 . 1 1 7 7 VAL HG21 H 1 1.220 0.05 . 2 . . . . . 7 V HG21 . 15350 1
50 . 1 1 7 7 VAL HG22 H 1 1.220 0.05 . 2 . . . . . 7 V HG21 . 15350 1
51 . 1 1 7 7 VAL HG23 H 1 1.220 0.05 . 2 . . . . . 7 V HG21 . 15350 1
52 . 1 1 7 7 VAL CA C 13 69.820 0.5 . 1 . . . . . 7 V CA . 15350 1
53 . 1 1 7 7 VAL CB C 13 29.440 0.5 . 1 . . . . . 7 V CB . 15350 1
54 . 1 1 7 7 VAL CG1 C 13 21.220 0.5 . 1 . . . . . 7 V CG1 . 15350 1
55 . 1 1 7 7 VAL CG2 C 13 23.240 0.5 . 1 . . . . . 7 V CG2 . 15350 1
56 . 1 1 7 7 VAL N N 15 119.920 0.5 . 1 . . . . . 7 V N . 15350 1
57 . 1 1 8 8 PRO HA H 1 4.200 0.05 . 1 . . . . . 8 P HA . 15350 1
58 . 1 1 8 8 PRO HB2 H 1 2.200 0.05 . 2 . . . . . 8 P HB2 . 15350 1
59 . 1 1 8 8 PRO CA C 13 66.280 0.5 . 1 . . . . . 8 P CA . 15350 1
60 . 1 1 8 8 PRO CB C 13 30.950 0.5 . 1 . . . . . 8 P CB . 15350 1
61 . 1 1 9 9 TYR H H 1 7.260 0.05 . 1 . . . . . 9 Y HN . 15350 1
62 . 1 1 9 9 TYR HA H 1 4.630 0.05 . 1 . . . . . 9 Y HA . 15350 1
63 . 1 1 9 9 TYR HB2 H 1 3.000 0.05 . 2 . . . . . 9 Y HB2 . 15350 1
64 . 1 1 9 9 TYR HD1 H 1 6.360 0.05 . 3 . . . . . 9 Y HD1 . 15350 1
65 . 1 1 9 9 TYR HE1 H 1 6.560 0.05 . 3 . . . . . 9 Y HE1 . 15350 1
66 . 1 1 9 9 TYR CA C 13 60.800 0.5 . 1 . . . . . 9 Y CA . 15350 1
67 . 1 1 9 9 TYR CB C 13 37.800 0.5 . 1 . . . . . 9 Y CB . 15350 1
68 . 1 1 9 9 TYR CD1 C 13 132.700 0.5 . 3 . . . . . 9 Y CD1 . 15350 1
69 . 1 1 9 9 TYR CE1 C 13 119.000 0.5 . 3 . . . . . 9 Y CE1 . 15350 1
70 . 1 1 9 9 TYR N N 15 118.680 0.5 . 1 . . . . . 9 Y N . 15350 1
71 . 1 1 10 10 PHE H H 1 8.500 0.05 . 1 . . . . . 10 F HN . 15350 1
72 . 1 1 10 10 PHE HA H 1 4.630 0.05 . 1 . . . . . 10 F HA . 15350 1
73 . 1 1 10 10 PHE HB2 H 1 3.160 0.05 . 2 . . . . . 10 F HB2 . 15350 1
74 . 1 1 10 10 PHE HD1 H 1 6.920 0.05 . 3 . . . . . 10 F HD1 . 15350 1
75 . 1 1 10 10 PHE HE1 H 1 7.300 0.05 . 3 . . . . . 10 F HE1 . 15350 1
76 . 1 1 10 10 PHE HZ H 1 7.870 0.05 . 1 . . . . . 10 F HZ . 15350 1
77 . 1 1 10 10 PHE CA C 13 62.200 0.5 . 1 . . . . . 10 F CA . 15350 1
78 . 1 1 10 10 PHE CB C 13 39.710 0.5 . 1 . . . . . 10 F CB . 15350 1
79 . 1 1 10 10 PHE CD1 C 13 130.400 0.5 . 3 . . . . . 10 F CD1 . 15350 1
80 . 1 1 10 10 PHE CE1 C 13 131.700 0.5 . 3 . . . . . 10 F CE1 . 15350 1
81 . 1 1 10 10 PHE CZ C 13 132.600 0.5 . 1 . . . . . 10 F CZ . 15350 1
82 . 1 1 10 10 PHE N N 15 121.130 0.5 . 1 . . . . . 10 F N . 15350 1
83 . 1 1 11 11 ILE H H 1 8.990 0.05 . 1 . . . . . 11 I HN . 15350 1
84 . 1 1 11 11 ILE HA H 1 3.520 0.05 . 1 . . . . . 11 I HA . 15350 1
85 . 1 1 11 11 ILE HB H 1 1.990 0.05 . 1 . . . . . 11 I HB . 15350 1
86 . 1 1 11 11 ILE HD11 H 1 0.880 0.05 . 1 . . . . . 11 I HD11 . 15350 1
87 . 1 1 11 11 ILE HD12 H 1 0.880 0.05 . 1 . . . . . 11 I HD11 . 15350 1
88 . 1 1 11 11 ILE HD13 H 1 0.880 0.05 . 1 . . . . . 11 I HD11 . 15350 1
89 . 1 1 11 11 ILE HG12 H 1 0.830 0.05 . 1 . . . . . 11 I HG12 . 15350 1
90 . 1 1 11 11 ILE HG21 H 1 0.840 0.05 . 1 . . . . . 11 I HG21 . 15350 1
91 . 1 1 11 11 ILE HG22 H 1 0.840 0.05 . 1 . . . . . 11 I HG21 . 15350 1
92 . 1 1 11 11 ILE HG23 H 1 0.840 0.05 . 1 . . . . . 11 I HG21 . 15350 1
93 . 1 1 11 11 ILE CA C 13 67.240 0.5 . 1 . . . . . 11 I CA . 15350 1
94 . 1 1 11 11 ILE CB C 13 37.970 0.5 . 1 . . . . . 11 I CB . 15350 1
95 . 1 1 11 11 ILE CD1 C 13 14.500 0.5 . 1 . . . . . 11 I CD1 . 15350 1
96 . 1 1 11 11 ILE CG1 C 13 21.360 0.5 . 1 . . . . . 11 I CG1 . 15350 1
97 . 1 1 11 11 ILE CG2 C 13 16.360 0.5 . 1 . . . . . 11 I CG2 . 15350 1
98 . 1 1 11 11 ILE N N 15 122.680 0.5 . 1 . . . . . 11 I N . 15350 1
99 . 1 1 12 12 GLU H H 1 7.990 0.05 . 1 . . . . . 12 E HN . 15350 1
100 . 1 1 12 12 GLU HA H 1 3.940 0.05 . 1 . . . . . 12 E HA . 15350 1
101 . 1 1 12 12 GLU HB2 H 1 1.910 0.05 . 2 . . . . . 12 E HB1 . 15350 1
102 . 1 1 12 12 GLU HB3 H 1 2.060 0.05 . 2 . . . . . 12 E HB2 . 15350 1
103 . 1 1 12 12 GLU HG2 H 1 2.260 0.05 . 2 . . . . . 12 E HG2 . 15350 1
104 . 1 1 12 12 GLU CA C 13 59.200 0.5 . 1 . . . . . 12 E CA . 15350 1
105 . 1 1 12 12 GLU CB C 13 28.910 0.5 . 1 . . . . . 12 E CB . 15350 1
106 . 1 1 12 12 GLU CG C 13 35.590 0.5 . 1 . . . . . 12 E CG . 15350 1
107 . 1 1 12 12 GLU N N 15 117.840 0.5 . 1 . . . . . 12 E N . 15350 1
108 . 1 1 13 13 ASN H H 1 7.750 0.05 . 1 . . . . . 13 N HN . 15350 1
109 . 1 1 13 13 ASN HA H 1 4.270 0.05 . 1 . . . . . 13 N HA . 15350 1
110 . 1 1 13 13 ASN HB2 H 1 2.370 0.05 . 2 . . . . . 13 N HB1 . 15350 1
111 . 1 1 13 13 ASN HB3 H 1 2.610 0.05 . 2 . . . . . 13 N HB2 . 15350 1
112 . 1 1 13 13 ASN CA C 13 57.170 0.5 . 1 . . . . . 13 N CA . 15350 1
113 . 1 1 13 13 ASN CB C 13 39.850 0.5 . 1 . . . . . 13 N CB . 15350 1
114 . 1 1 13 13 ASN N N 15 117.500 0.5 . 1 . . . . . 13 N N . 15350 1
115 . 1 1 14 14 LEU H H 1 8.930 0.05 . 1 . . . . . 14 L HN . 15350 1
116 . 1 1 14 14 LEU HA H 1 3.520 0.05 . 1 . . . . . 14 L HA . 15350 1
117 . 1 1 14 14 LEU HB2 H 1 2.316 0.05 . 2 . . . . . 14 L HB1 . 15350 1
118 . 1 1 14 14 LEU HB3 H 1 1.180 0.05 . 2 . . . . . 14 L HB2 . 15350 1
119 . 1 1 14 14 LEU HD11 H 1 0.960 0.05 . 2 . . . . . 14 L HD11 . 15350 1
120 . 1 1 14 14 LEU HD12 H 1 0.960 0.05 . 2 . . . . . 14 L HD11 . 15350 1
121 . 1 1 14 14 LEU HD13 H 1 0.960 0.05 . 2 . . . . . 14 L HD11 . 15350 1
122 . 1 1 14 14 LEU HD21 H 1 1.150 0.05 . 2 . . . . . 14 L HD21 . 15350 1
123 . 1 1 14 14 LEU HD22 H 1 1.150 0.05 . 2 . . . . . 14 L HD21 . 15350 1
124 . 1 1 14 14 LEU HD23 H 1 1.150 0.05 . 2 . . . . . 14 L HD21 . 15350 1
125 . 1 1 14 14 LEU HG H 1 1.830 0.05 . 1 . . . . . 14 L HG . 15350 1
126 . 1 1 14 14 LEU CA C 13 59.300 0.5 . 1 . . . . . 14 L CA . 15350 1
127 . 1 1 14 14 LEU CB C 13 42.860 0.5 . 1 . . . . . 14 L CB . 15350 1
128 . 1 1 14 14 LEU CD1 C 13 26.140 0.5 . 1 . . . . . 14 L CD1 . 15350 1
129 . 1 1 14 14 LEU CD2 C 13 26.860 0.5 . 1 . . . . . 14 L CD2 . 15350 1
130 . 1 1 14 14 LEU CG C 13 26.400 0.5 . 1 . . . . . 14 L CG . 15350 1
131 . 1 1 14 14 LEU N N 15 124.290 0.5 . 1 . . . . . 14 L N . 15350 1
132 . 1 1 15 15 LYS H H 1 8.210 0.05 . 1 . . . . . 15 K HN . 15350 1
133 . 1 1 15 15 LYS HA H 1 3.860 0.05 . 1 . . . . . 15 K HA . 15350 1
134 . 1 1 15 15 LYS HB2 H 1 1.830 0.05 . 2 . . . . . 15 K HB2 . 15350 1
135 . 1 1 15 15 LYS CA C 13 60.690 0.5 . 1 . . . . . 15 K CA . 15350 1
136 . 1 1 15 15 LYS CB C 13 31.940 0.5 . 1 . . . . . 15 K CB . 15350 1
137 . 1 1 15 15 LYS CD C 13 29.410 0.5 . 1 . . . . . 15 K CD . 15350 1
138 . 1 1 15 15 LYS CE C 13 41.850 0.5 . 1 . . . . . 15 K CE . 15350 1
139 . 1 1 15 15 LYS CG C 13 26.170 0.5 . 1 . . . . . 15 K CG . 15350 1
140 . 1 1 15 15 LYS N N 15 117.580 0.5 . 1 . . . . . 15 K N . 15350 1
141 . 1 1 16 16 GLN H H 1 7.990 0.05 . 1 . . . . . 16 Q HN . 15350 1
142 . 1 1 16 16 GLN HA H 1 4.010 0.05 . 1 . . . . . 16 Q HA . 15350 1
143 . 1 1 16 16 GLN HG2 H 1 2.280 0.05 . 2 . . . . . 16 Q HG1 . 15350 1
144 . 1 1 16 16 GLN HG3 H 1 2.450 0.05 . 2 . . . . . 16 Q HG2 . 15350 1
145 . 1 1 16 16 GLN CA C 13 58.910 0.5 . 1 . . . . . 16 Q CA . 15350 1
146 . 1 1 16 16 GLN CB C 13 28.410 0.5 . 1 . . . . . 16 Q CB . 15350 1
147 . 1 1 16 16 GLN CG C 13 34.010 0.5 . 1 . . . . . 16 Q CG . 15350 1
148 . 1 1 16 16 GLN N N 15 118.450 0.5 . 1 . . . . . 16 Q N . 15350 1
149 . 1 1 17 17 HIS H H 1 7.930 0.05 . 1 . . . . . 17 H HN . 15350 1
150 . 1 1 17 17 HIS HA H 1 4.020 0.05 . 1 . . . . . 17 H HA . 15350 1
151 . 1 1 17 17 HIS HB2 H 1 3.206 0.05 . 2 . . . . . 17 H HB1 . 15350 1
152 . 1 1 17 17 HIS HB3 H 1 2.920 0.05 . 2 . . . . . 17 H HB2 . 15350 1
153 . 1 1 17 17 HIS CA C 13 60.620 0.5 . 1 . . . . . 17 H CA . 15350 1
154 . 1 1 17 17 HIS CB C 13 28.270 0.5 . 1 . . . . . 17 H CB . 15350 1
155 . 1 1 17 17 HIS N N 15 117.300 0.5 . 1 . . . . . 17 H N . 15350 1
156 . 1 1 18 18 ILE H H 1 8.090 0.05 . 1 . . . . . 18 I HN . 15350 1
157 . 1 1 18 18 ILE HA H 1 3.530 0.05 . 1 . . . . . 18 I HA . 15350 1
158 . 1 1 18 18 ILE HB H 1 0.910 0.05 . 1 . . . . . 18 I HB . 15350 1
159 . 1 1 18 18 ILE HD11 H 1 0.760 0.05 . 1 . . . . . 18 I HD11 . 15350 1
160 . 1 1 18 18 ILE HD12 H 1 0.760 0.05 . 1 . . . . . 18 I HD11 . 15350 1
161 . 1 1 18 18 ILE HD13 H 1 0.760 0.05 . 1 . . . . . 18 I HD11 . 15350 1
162 . 1 1 18 18 ILE HG12 H 1 1.740 0.05 . 1 . . . . . 18 I HG11 . 15350 1
163 . 1 1 18 18 ILE HG13 H 1 1.930 0.05 . 1 . . . . . 18 I HG12 . 15350 1
164 . 1 1 18 18 ILE HG21 H 1 0.890 0.05 . 1 . . . . . 18 I HG21 . 15350 1
165 . 1 1 18 18 ILE HG22 H 1 0.890 0.05 . 1 . . . . . 18 I HG21 . 15350 1
166 . 1 1 18 18 ILE HG23 H 1 0.890 0.05 . 1 . . . . . 18 I HG21 . 15350 1
167 . 1 1 18 18 ILE CA C 13 65.650 0.5 . 1 . . . . . 18 I CA . 15350 1
168 . 1 1 18 18 ILE CB C 13 38.780 0.5 . 1 . . . . . 18 I CB . 15350 1
169 . 1 1 18 18 ILE CD1 C 13 14.800 0.5 . 1 . . . . . 18 I CD1 . 15350 1
170 . 1 1 18 18 ILE CG1 C 13 25.720 0.5 . 1 . . . . . 18 I CG1 . 15350 1
171 . 1 1 18 18 ILE CG2 C 13 17.220 0.5 . 1 . . . . . 18 I CG2 . 15350 1
172 . 1 1 18 18 ILE N N 15 120.340 0.5 . 1 . . . . . 18 I N . 15350 1
173 . 1 1 19 19 GLU H H 1 7.690 0.05 . 1 . . . . . 19 E HN . 15350 1
174 . 1 1 19 19 GLU HA H 1 3.980 0.05 . 1 . . . . . 19 E HA . 15350 1
175 . 1 1 19 19 GLU HG2 H 1 2.390 0.05 . 2 . . . . . 19 E HG2 . 15350 1
176 . 1 1 19 19 GLU CA C 13 58.520 0.5 . 1 . . . . . 19 E CA . 15350 1
177 . 1 1 19 19 GLU CB C 13 29.390 0.5 . 1 . . . . . 19 E CB . 15350 1
178 . 1 1 19 19 GLU CG C 13 36.000 0.5 . 1 . . . . . 19 E CG . 15350 1
179 . 1 1 19 19 GLU N N 15 118.010 0.5 . 1 . . . . . 19 E N . 15350 1
180 . 1 1 20 20 MET H H 1 7.740 0.05 . 1 . . . . . 20 M HN . 15350 1
181 . 1 1 20 20 MET HA H 1 4.310 0.05 . 1 . . . . . 20 M HA . 15350 1
182 . 1 1 20 20 MET HB2 H 1 1.950 0.05 . 2 . . . . . 20 M HB1 . 15350 1
183 . 1 1 20 20 MET HB3 H 1 2.120 0.05 . 2 . . . . . 20 M HB2 . 15350 1
184 . 1 1 20 20 MET HE1 H 1 1.940 0.05 . 1 . . . . . 20 M HE1 . 15350 1
185 . 1 1 20 20 MET HE2 H 1 1.940 0.05 . 1 . . . . . 20 M HE1 . 15350 1
186 . 1 1 20 20 MET HE3 H 1 1.940 0.05 . 1 . . . . . 20 M HE1 . 15350 1
187 . 1 1 20 20 MET HG2 H 1 2.560 0.05 . 2 . . . . . 20 M HG1 . 15350 1
188 . 1 1 20 20 MET HG3 H 1 2.660 0.05 . 2 . . . . . 20 M HG2 . 15350 1
189 . 1 1 20 20 MET CA C 13 56.700 0.5 . 1 . . . . . 20 M CA . 15350 1
190 . 1 1 20 20 MET CB C 13 33.270 0.5 . 1 . . . . . 20 M CB . 15350 1
191 . 1 1 20 20 MET CE C 13 16.630 0.5 . 1 . . . . . 20 M CE . 15350 1
192 . 1 1 20 20 MET CG C 13 32.100 0.5 . 1 . . . . . 20 M CG . 15350 1
193 . 1 1 20 20 MET N N 15 115.510 0.5 . 1 . . . . . 20 M N . 15350 1
194 . 1 1 21 21 ASN H H 1 7.380 0.05 . 1 . . . . . 21 N HN . 15350 1
195 . 1 1 21 21 ASN HA H 1 5.015 0.05 . 1 . . . . . 21 N HA . 15350 1
196 . 1 1 21 21 ASN HB2 H 1 2.540 0.05 . 2 . . . . . 21 N HB1 . 15350 1
197 . 1 1 21 21 ASN HB3 H 1 2.820 0.05 . 2 . . . . . 21 N HB2 . 15350 1
198 . 1 1 21 21 ASN CA C 13 52.570 0.5 . 1 . . . . . 21 N CA . 15350 1
199 . 1 1 21 21 ASN CB C 13 39.660 0.5 . 1 . . . . . 21 N CB . 15350 1
200 . 1 1 21 21 ASN N N 15 119.190 0.5 . 1 . . . . . 21 N N . 15350 1
201 . 1 1 22 22 GLN H H 1 8.190 0.05 . 1 . . . . . 22 Q HN . 15350 1
202 . 1 1 22 22 GLN HA H 1 4.250 0.05 . 1 . . . . . 22 Q HA . 15350 1
203 . 1 1 22 22 GLN HB2 H 1 2.050 0.05 . 2 . . . . . 22 Q HB1 . 15350 1
204 . 1 1 22 22 GLN HB3 H 1 2.260 0.05 . 2 . . . . . 22 Q HB2 . 15350 1
205 . 1 1 22 22 GLN HG2 H 1 2.480 0.05 . 2 . . . . . 22 Q HG2 . 15350 1
206 . 1 1 22 22 GLN CA C 13 57.900 0.5 . 1 . . . . . 22 Q CA . 15350 1
207 . 1 1 22 22 GLN CB C 13 28.980 0.5 . 1 . . . . . 22 Q CB . 15350 1
208 . 1 1 22 22 GLN CG C 13 34.530 0.5 . 1 . . . . . 22 Q CG . 15350 1
209 . 1 1 22 22 GLN N N 15 118.880 0.5 . 1 . . . . . 22 Q N . 15350 1
210 . 1 1 23 23 SER H H 1 8.310 0.05 . 1 . . . . . 23 S HN . 15350 1
211 . 1 1 23 23 SER HA H 1 3.880 0.05 . 1 . . . . . 23 S HA . 15350 1
212 . 1 1 23 23 SER CA C 13 59.440 0.5 . 1 . . . . . 23 S CA . 15350 1
213 . 1 1 23 23 SER CB C 13 63.190 0.5 . 1 . . . . . 23 S CB . 15350 1
214 . 1 1 23 23 SER N N 15 113.870 0.5 . 1 . . . . . 23 S N . 15350 1
215 . 1 1 24 24 GLU H H 1 7.840 0.05 . 1 . . . . . 24 E HN . 15350 1
216 . 1 1 24 24 GLU HA H 1 4.550 0.05 . 1 . . . . . 24 E HA . 15350 1
217 . 1 1 24 24 GLU HB2 H 1 2.000 0.05 . 2 . . . . . 24 E HB1 . 15350 1
218 . 1 1 24 24 GLU HB3 H 1 2.140 0.05 . 2 . . . . . 24 E HB2 . 15350 1
219 . 1 1 24 24 GLU HG2 H 1 2.370 0.05 . 2 . . . . . 24 E HG1 . 15350 1
220 . 1 1 24 24 GLU HG3 H 1 2.430 0.05 . 2 . . . . . 24 E HG2 . 15350 1
221 . 1 1 24 24 GLU CA C 13 54.920 0.5 . 1 . . . . . 24 E CA . 15350 1
222 . 1 1 24 24 GLU CB C 13 31.620 0.5 . 1 . . . . . 24 E CB . 15350 1
223 . 1 1 24 24 GLU CG C 13 35.580 0.5 . 1 . . . . . 24 E CG . 15350 1
224 . 1 1 24 24 GLU N N 15 121.680 0.5 . 1 . . . . . 24 E N . 15350 1
225 . 1 1 25 25 ASP H H 1 8.480 0.05 . 1 . . . . . 25 D HN . 15350 1
226 . 1 1 25 25 ASP HA H 1 4.460 0.05 . 1 . . . . . 25 D HA . 15350 1
227 . 1 1 25 25 ASP HB2 H 1 2.470 0.05 . 2 . . . . . 25 D HB1 . 15350 1
228 . 1 1 25 25 ASP HB3 H 1 2.580 0.05 . 2 . . . . . 25 D HB2 . 15350 1
229 . 1 1 25 25 ASP CA C 13 54.870 0.5 . 1 . . . . . 25 D CA . 15350 1
230 . 1 1 25 25 ASP CB C 13 42.500 0.5 . 1 . . . . . 25 D CB . 15350 1
231 . 1 1 25 25 ASP N N 15 122.420 0.5 . 1 . . . . . 25 D N . 15350 1
232 . 1 1 26 26 LYS H H 1 8.360 0.05 . 1 . . . . . 26 K HN . 15350 1
233 . 1 1 26 26 LYS HA H 1 4.030 0.05 . 1 . . . . . 26 K HA . 15350 1
234 . 1 1 26 26 LYS HB2 H 1 1.910 0.05 . 2 . . . . . 26 K HB1 . 15350 1
235 . 1 1 26 26 LYS HB3 H 1 1.700 0.05 . 2 . . . . . 26 K HB2 . 15350 1
236 . 1 1 26 26 LYS HG2 H 1 1.280 0.05 . 2 . . . . . 26 K HG1 . 15350 1
237 . 1 1 26 26 LYS HG3 H 1 1.320 0.05 . 2 . . . . . 26 K HG2 . 15350 1
238 . 1 1 26 26 LYS CA C 13 60.080 0.5 . 1 . . . . . 26 K CA . 15350 1
239 . 1 1 26 26 LYS CB C 13 33.160 0.5 . 1 . . . . . 26 K CB . 15350 1
240 . 1 1 26 26 LYS CD C 13 29.730 0.5 . 1 . . . . . 26 K CD . 15350 1
241 . 1 1 26 26 LYS CE C 13 39.980 0.5 . 1 . . . . . 26 K CE . 15350 1
242 . 1 1 26 26 LYS CG C 13 24.700 0.5 . 1 . . . . . 26 K CG . 15350 1
243 . 1 1 26 26 LYS N N 15 124.950 0.5 . 1 . . . . . 26 K N . 15350 1
244 . 1 1 27 27 ILE H H 1 8.080 0.05 . 1 . . . . . 27 I HN . 15350 1
245 . 1 1 27 27 ILE HA H 1 3.880 0.05 . 1 . . . . . 27 I HA . 15350 1
246 . 1 1 27 27 ILE HB H 1 1.850 0.05 . 1 . . . . . 27 I HB . 15350 1
247 . 1 1 27 27 ILE HD11 H 1 0.790 0.05 . 1 . . . . . 27 I HD11 . 15350 1
248 . 1 1 27 27 ILE HD12 H 1 0.790 0.05 . 1 . . . . . 27 I HD11 . 15350 1
249 . 1 1 27 27 ILE HD13 H 1 0.790 0.05 . 1 . . . . . 27 I HD11 . 15350 1
250 . 1 1 27 27 ILE HG12 H 1 1.380 0.05 . 1 . . . . . 27 I HG12 . 15350 1
251 . 1 1 27 27 ILE HG21 H 1 0.760 0.05 . 1 . . . . . 27 I HG21 . 15350 1
252 . 1 1 27 27 ILE HG22 H 1 0.760 0.05 . 1 . . . . . 27 I HG21 . 15350 1
253 . 1 1 27 27 ILE HG23 H 1 0.760 0.05 . 1 . . . . . 27 I HG21 . 15350 1
254 . 1 1 27 27 ILE CA C 13 62.530 0.5 . 1 . . . . . 27 I CA . 15350 1
255 . 1 1 27 27 ILE CB C 13 36.440 0.5 . 1 . . . . . 27 I CB . 15350 1
256 . 1 1 27 27 ILE CD1 C 13 11.360 0.5 . 1 . . . . . 27 I CD1 . 15350 1
257 . 1 1 27 27 ILE CG1 C 13 28.400 0.5 . 1 . . . . . 27 I CG1 . 15350 1
258 . 1 1 27 27 ILE CG2 C 13 18.100 0.5 . 1 . . . . . 27 I CG2 . 15350 1
259 . 1 1 27 27 ILE N N 15 118.410 0.5 . 1 . . . . . 27 I N . 15350 1
260 . 1 1 28 28 HIS H H 1 7.500 0.05 . 1 . . . . . 28 H HN . 15350 1
261 . 1 1 28 28 HIS CA C 13 57.730 0.5 . 1 . . . . . 28 H CA . 15350 1
262 . 1 1 28 28 HIS CB C 13 29.060 0.5 . 1 . . . . . 28 H CB . 15350 1
263 . 1 1 28 28 HIS N N 15 119.010 0.5 . 1 . . . . . 28 H N . 15350 1
264 . 1 1 29 29 ALA H H 1 8.390 0.05 . 1 . . . . . 29 A HN . 15350 1
265 . 1 1 29 29 ALA HA H 1 4.330 0.05 . 1 . . . . . 29 A HA . 15350 1
266 . 1 1 29 29 ALA HB1 H 1 1.520 0.05 . 1 . . . . . 29 A HB1 . 15350 1
267 . 1 1 29 29 ALA HB2 H 1 1.520 0.05 . 1 . . . . . 29 A HB1 . 15350 1
268 . 1 1 29 29 ALA HB3 H 1 1.520 0.05 . 1 . . . . . 29 A HB1 . 15350 1
269 . 1 1 29 29 ALA CA C 13 55.330 0.5 . 1 . . . . . 29 A CA . 15350 1
270 . 1 1 29 29 ALA CB C 13 18.400 0.5 . 1 . . . . . 29 A CB . 15350 1
271 . 1 1 29 29 ALA N N 15 123.920 0.5 . 1 . . . . . 29 A N . 15350 1
272 . 1 1 30 30 MET H H 1 8.570 0.05 . 1 . . . . . 30 M HN . 15350 1
273 . 1 1 30 30 MET HA H 1 3.890 0.05 . 1 . . . . . 30 M HA . 15350 1
274 . 1 1 30 30 MET HE1 H 1 2.070 0.05 . 1 . . . . . 30 M HE1 . 15350 1
275 . 1 1 30 30 MET HE2 H 1 2.070 0.05 . 1 . . . . . 30 M HE1 . 15350 1
276 . 1 1 30 30 MET HE3 H 1 2.070 0.05 . 1 . . . . . 30 M HE1 . 15350 1
277 . 1 1 30 30 MET CA C 13 60.300 0.5 . 1 . . . . . 30 M CA . 15350 1
278 . 1 1 30 30 MET CB C 13 34.850 0.5 . 1 . . . . . 30 M CB . 15350 1
279 . 1 1 30 30 MET CE C 13 16.940 0.5 . 1 . . . . . 30 M CE . 15350 1
280 . 1 1 30 30 MET CG C 13 32.490 0.5 . 1 . . . . . 30 M CG . 15350 1
281 . 1 1 30 30 MET N N 15 118.300 0.5 . 1 . . . . . 30 M N . 15350 1
282 . 1 1 31 31 ASN H H 1 8.920 0.05 . 1 . . . . . 31 N HN . 15350 1
283 . 1 1 31 31 ASN CA C 13 55.690 0.5 . 1 . . . . . 31 N CA . 15350 1
284 . 1 1 31 31 ASN CB C 13 37.450 0.5 . 1 . . . . . 31 N CB . 15350 1
285 . 1 1 31 31 ASN N N 15 117.930 0.5 . 1 . . . . . 31 N N . 15350 1
286 . 1 1 32 32 SER H H 1 8.220 0.05 . 1 . . . . . 32 S HN . 15350 1
287 . 1 1 32 32 SER HA H 1 4.150 0.05 . 1 . . . . . 32 S HA . 15350 1
288 . 1 1 32 32 SER HB2 H 1 3.980 0.05 . 2 . . . . . 32 S HB2 . 15350 1
289 . 1 1 32 32 SER CA C 13 61.290 0.5 . 1 . . . . . 32 S CA . 15350 1
290 . 1 1 32 32 SER CB C 13 62.820 0.5 . 1 . . . . . 32 S CB . 15350 1
291 . 1 1 32 32 SER N N 15 116.470 0.5 . 1 . . . . . 32 S N . 15350 1
292 . 1 1 33 33 TYR H H 1 7.660 0.05 . 1 . . . . . 33 Y HN . 15350 1
293 . 1 1 33 33 TYR HB2 H 1 2.860 0.05 . 2 . . . . . 33 Y HB1 . 15350 1
294 . 1 1 33 33 TYR HB3 H 1 3.990 0.05 . 2 . . . . . 33 Y HB2 . 15350 1
295 . 1 1 33 33 TYR HD1 H 1 6.590 0.05 . 3 . . . . . 33 Y HD1 . 15350 1
296 . 1 1 33 33 TYR HE1 H 1 6.600 0.05 . 3 . . . . . 33 Y HE1 . 15350 1
297 . 1 1 33 33 TYR CA C 13 61.290 0.5 . 1 . . . . . 33 Y CA . 15350 1
298 . 1 1 33 33 TYR CB C 13 37.730 0.5 . 1 . . . . . 33 Y CB . 15350 1
299 . 1 1 33 33 TYR CD1 C 13 132.200 0.5 . 3 . . . . . 33 Y CD1 . 15350 1
300 . 1 1 33 33 TYR CE1 C 13 118.200 0.5 . 3 . . . . . 33 Y CE1 . 15350 1
301 . 1 1 33 33 TYR N N 15 122.400 0.5 . 1 . . . . . 33 Y N . 15350 1
302 . 1 1 34 34 TYR H H 1 8.580 0.05 . 1 . . . . . 34 Y HN . 15350 1
303 . 1 1 34 34 TYR HA H 1 3.430 0.05 . 1 . . . . . 34 Y HA . 15350 1
304 . 1 1 34 34 TYR HB2 H 1 1.910 0.05 . 2 . . . . . 34 Y HB2 . 15350 1
305 . 1 1 34 34 TYR HD1 H 1 6.650 0.05 . 3 . . . . . 34 Y HD1 . 15350 1
306 . 1 1 34 34 TYR HE1 H 1 6.420 0.05 . 3 . . . . . 34 Y HE1 . 15350 1
307 . 1 1 34 34 TYR CA C 13 60.860 0.5 . 1 . . . . . 34 Y CA . 15350 1
308 . 1 1 34 34 TYR CB C 13 40.090 0.5 . 1 . . . . . 34 Y CB . 15350 1
309 . 1 1 34 34 TYR CD1 C 13 132.900 0.5 . 3 . . . . . 34 Y CD1 . 15350 1
310 . 1 1 34 34 TYR CE1 C 13 117.600 0.5 . 3 . . . . . 34 Y CE1 . 15350 1
311 . 1 1 34 34 TYR N N 15 119.850 0.5 . 1 . . . . . 34 Y N . 15350 1
312 . 1 1 35 35 ARG H H 1 7.700 0.05 . 1 . . . . . 35 R HN . 15350 1
313 . 1 1 35 35 ARG HA H 1 4.010 0.05 . 1 . . . . . 35 R HA . 15350 1
314 . 1 1 35 35 ARG HB2 H 1 2.450 0.05 . 2 . . . . . 35 R HB1 . 15350 1
315 . 1 1 35 35 ARG HB3 H 1 2.270 0.05 . 2 . . . . . 35 R HB2 . 15350 1
316 . 1 1 35 35 ARG CA C 13 59.340 0.5 . 1 . . . . . 35 R CA . 15350 1
317 . 1 1 35 35 ARG CB C 13 28.090 0.5 . 1 . . . . . 35 R CB . 15350 1
318 . 1 1 35 35 ARG CG C 13 24.110 0.5 . 1 . . . . . 35 R CG . 15350 1
319 . 1 1 35 35 ARG N N 15 117.830 0.5 . 1 . . . . . 35 R N . 15350 1
320 . 1 1 36 36 SER H H 1 7.310 0.05 . 1 . . . . . 36 S HN . 15350 1
321 . 1 1 36 36 SER HA H 1 3.880 0.05 . 1 . . . . . 36 S HA . 15350 1
322 . 1 1 36 36 SER CA C 13 61.660 0.5 . 1 . . . . . 36 S CA . 15350 1
323 . 1 1 36 36 SER CB C 13 62.990 0.5 . 1 . . . . . 36 S CB . 15350 1
324 . 1 1 36 36 SER N N 15 112.890 0.5 . 1 . . . . . 36 S N . 15350 1
325 . 1 1 37 37 VAL H H 1 7.830 0.05 . 1 . . . . . 37 V HN . 15350 1
326 . 1 1 37 37 VAL HA H 1 3.560 0.05 . 1 . . . . . 37 V HA . 15350 1
327 . 1 1 37 37 VAL HB H 1 1.560 0.05 . 1 . . . . . 37 V HB . 15350 1
328 . 1 1 37 37 VAL HG11 H 1 0.800 0.05 . 2 . . . . . 37 V HG11 . 15350 1
329 . 1 1 37 37 VAL HG12 H 1 0.800 0.05 . 2 . . . . . 37 V HG11 . 15350 1
330 . 1 1 37 37 VAL HG13 H 1 0.800 0.05 . 2 . . . . . 37 V HG11 . 15350 1
331 . 1 1 37 37 VAL HG21 H 1 0.480 0.05 . 2 . . . . . 37 V HG21 . 15350 1
332 . 1 1 37 37 VAL HG22 H 1 0.480 0.05 . 2 . . . . . 37 V HG21 . 15350 1
333 . 1 1 37 37 VAL HG23 H 1 0.480 0.05 . 2 . . . . . 37 V HG21 . 15350 1
334 . 1 1 37 37 VAL CA C 13 66.220 0.5 . 1 . . . . . 37 V CA . 15350 1
335 . 1 1 37 37 VAL CB C 13 31.620 0.5 . 1 . . . . . 37 V CB . 15350 1
336 . 1 1 37 37 VAL CG1 C 13 22.930 0.5 . 1 . . . . . 37 V CG1 . 15350 1
337 . 1 1 37 37 VAL CG2 C 13 22.610 0.5 . 1 . . . . . 37 V CG2 . 15350 1
338 . 1 1 37 37 VAL N N 15 121.970 0.5 . 1 . . . . . 37 V N . 15350 1
339 . 1 1 38 38 VAL H H 1 8.050 0.05 . 1 . . . . . 38 V HN . 15350 1
340 . 1 1 38 38 VAL HA H 1 3.050 0.05 . 1 . . . . . 38 V HA . 15350 1
341 . 1 1 38 38 VAL HG21 H 1 0.700 0.05 . 2 . . . . . 38 V HG21 . 15350 1
342 . 1 1 38 38 VAL HG22 H 1 0.700 0.05 . 2 . . . . . 38 V HG21 . 15350 1
343 . 1 1 38 38 VAL HG23 H 1 0.700 0.05 . 2 . . . . . 38 V HG21 . 15350 1
344 . 1 1 38 38 VAL CA C 13 68.440 0.5 . 1 . . . . . 38 V CA . 15350 1
345 . 1 1 38 38 VAL CB C 13 30.990 0.5 . 1 . . . . . 38 V CB . 15350 1
346 . 1 1 38 38 VAL CG2 C 13 25.440 0.5 . 1 . . . . . 38 V CG2 . 15350 1
347 . 1 1 38 38 VAL N N 15 120.590 0.5 . 1 . . . . . 38 V N . 15350 1
348 . 1 1 39 39 SER H H 1 7.810 0.05 . 1 . . . . . 39 S HN . 15350 1
349 . 1 1 39 39 SER HA H 1 3.940 0.05 . 1 . . . . . 39 S HA . 15350 1
350 . 1 1 39 39 SER HB2 H 1 3.730 0.05 . 2 . . . . . 39 S HB2 . 15350 1
351 . 1 1 39 39 SER CA C 13 61.490 0.5 . 1 . . . . . 39 S CA . 15350 1
352 . 1 1 39 39 SER CB C 13 63.590 0.5 . 1 . . . . . 39 S CB . 15350 1
353 . 1 1 39 39 SER N N 15 110.480 0.5 . 1 . . . . . 39 S N . 15350 1
354 . 1 1 40 40 THR H H 1 7.290 0.05 . 1 . . . . . 40 T HN . 15350 1
355 . 1 1 40 40 THR HA H 1 3.920 0.05 . 1 . . . . . 40 T HA . 15350 1
356 . 1 1 40 40 THR HB H 1 4.290 0.05 . 1 . . . . . 40 T HB . 15350 1
357 . 1 1 40 40 THR HG21 H 1 1.260 0.05 . 1 . . . . . 40 T HG21 . 15350 1
358 . 1 1 40 40 THR HG22 H 1 1.260 0.05 . 1 . . . . . 40 T HG21 . 15350 1
359 . 1 1 40 40 THR HG23 H 1 1.260 0.05 . 1 . . . . . 40 T HG21 . 15350 1
360 . 1 1 40 40 THR CA C 13 66.280 0.5 . 1 . . . . . 40 T CA . 15350 1
361 . 1 1 40 40 THR CB C 13 69.180 0.5 . 1 . . . . . 40 T CB . 15350 1
362 . 1 1 40 40 THR CG2 C 13 21.810 0.5 . 1 . . . . . 40 T CG2 . 15350 1
363 . 1 1 40 40 THR N N 15 113.390 0.5 . 1 . . . . . 40 T N . 15350 1
364 . 1 1 41 41 LEU H H 1 8.510 0.05 . 1 . . . . . 41 L HN . 15350 1
365 . 1 1 41 41 LEU HA H 1 4.040 0.05 . 1 . . . . . 41 L HA . 15350 1
366 . 1 1 41 41 LEU HB2 H 1 1.090 0.05 . 2 . . . . . 41 L HB1 . 15350 1
367 . 1 1 41 41 LEU HB3 H 1 1.860 0.05 . 2 . . . . . 41 L HB2 . 15350 1
368 . 1 1 41 41 LEU HD21 H 1 0.480 0.05 . 2 . . . . . 41 L HD21 . 15350 1
369 . 1 1 41 41 LEU HD22 H 1 0.480 0.05 . 2 . . . . . 41 L HD21 . 15350 1
370 . 1 1 41 41 LEU HD23 H 1 0.480 0.05 . 2 . . . . . 41 L HD21 . 15350 1
371 . 1 1 41 41 LEU HG H 1 0.560 0.05 . 1 . . . . . 41 L HG . 15350 1
372 . 1 1 41 41 LEU CA C 13 58.130 0.5 . 1 . . . . . 41 L CA . 15350 1
373 . 1 1 41 41 LEU CB C 13 41.970 0.5 . 1 . . . . . 41 L CB . 15350 1
374 . 1 1 41 41 LEU CD2 C 13 22.800 0.5 . 1 . . . . . 41 L CD2 . 15350 1
375 . 1 1 41 41 LEU CG C 13 26.980 0.5 . 1 . . . . . 41 L CG . 15350 1
376 . 1 1 41 41 LEU N N 15 122.040 0.5 . 1 . . . . . 41 L N . 15350 1
377 . 1 1 42 42 VAL H H 1 8.260 0.05 . 1 . . . . . 42 V HN . 15350 1
378 . 1 1 42 42 VAL HA H 1 4.090 0.05 . 1 . . . . . 42 V HA . 15350 1
379 . 1 1 42 42 VAL HB H 1 2.240 0.05 . 1 . . . . . 42 V HB . 15350 1
380 . 1 1 42 42 VAL HG11 H 1 0.840 0.05 . 2 . . . . . 42 V HG11 . 15350 1
381 . 1 1 42 42 VAL HG12 H 1 0.840 0.05 . 2 . . . . . 42 V HG11 . 15350 1
382 . 1 1 42 42 VAL HG13 H 1 0.840 0.05 . 2 . . . . . 42 V HG11 . 15350 1
383 . 1 1 42 42 VAL HG21 H 1 0.920 0.05 . 2 . . . . . 42 V HG21 . 15350 1
384 . 1 1 42 42 VAL HG22 H 1 0.920 0.05 . 2 . . . . . 42 V HG21 . 15350 1
385 . 1 1 42 42 VAL HG23 H 1 0.920 0.05 . 2 . . . . . 42 V HG21 . 15350 1
386 . 1 1 42 42 VAL CA C 13 63.400 0.5 . 1 . . . . . 42 V CA . 15350 1
387 . 1 1 42 42 VAL CB C 13 31.260 0.5 . 1 . . . . . 42 V CB . 15350 1
388 . 1 1 42 42 VAL CG1 C 13 21.690 0.5 . 1 . . . . . 42 V CG1 . 15350 1
389 . 1 1 42 42 VAL CG2 C 13 19.660 0.5 . 1 . . . . . 42 V CG2 . 15350 1
390 . 1 1 42 42 VAL N N 15 108.850 0.5 . 1 . . . . . 42 V N . 15350 1
391 . 1 1 43 43 GLN H H 1 7.150 0.05 . 1 . . . . . 43 Q HN . 15350 1
392 . 1 1 43 43 GLN HA H 1 4.350 0.05 . 1 . . . . . 43 Q HA . 15350 1
393 . 1 1 43 43 GLN HB2 H 1 2.340 0.05 . 2 . . . . . 43 Q HB1 . 15350 1
394 . 1 1 43 43 GLN HB3 H 1 2.000 0.05 . 2 . . . . . 43 Q HB2 . 15350 1
395 . 1 1 43 43 GLN HG2 H 1 2.590 0.05 . 2 . . . . . 43 Q HG2 . 15350 1
396 . 1 1 43 43 GLN CA C 13 55.760 0.5 . 1 . . . . . 43 Q CA . 15350 1
397 . 1 1 43 43 GLN CB C 13 28.940 0.5 . 1 . . . . . 43 Q CB . 15350 1
398 . 1 1 43 43 GLN CG C 13 33.960 0.5 . 1 . . . . . 43 Q CG . 15350 1
399 . 1 1 43 43 GLN N N 15 118.250 0.5 . 1 . . . . . 43 Q N . 15350 1
400 . 1 1 44 44 ASP H H 1 6.940 0.05 . 1 . . . . . 44 D HN . 15350 1
401 . 1 1 44 44 ASP HA H 1 4.440 0.05 . 1 . . . . . 44 D HA . 15350 1
402 . 1 1 44 44 ASP HB2 H 1 2.680 0.05 . 2 . . . . . 44 D HB1 . 15350 1
403 . 1 1 44 44 ASP HB3 H 1 3.010 0.05 . 2 . . . . . 44 D HB2 . 15350 1
404 . 1 1 44 44 ASP CA C 13 54.080 0.5 . 1 . . . . . 44 D CA . 15350 1
405 . 1 1 44 44 ASP CB C 13 40.800 0.5 . 1 . . . . . 44 D CB . 15350 1
406 . 1 1 44 44 ASP N N 15 119.450 0.5 . 1 . . . . . 44 D N . 15350 1
407 . 1 1 45 45 GLN H H 1 8.710 0.05 . 1 . . . . . 45 Q HN . 15350 1
408 . 1 1 45 45 GLN HA H 1 4.360 0.05 . 1 . . . . . 45 Q HA . 15350 1
409 . 1 1 45 45 GLN HG2 H 1 2.430 0.05 . 2 . . . . . 45 Q HG2 . 15350 1
410 . 1 1 45 45 GLN CA C 13 55.960 0.5 . 1 . . . . . 45 Q CA . 15350 1
411 . 1 1 45 45 GLN CB C 13 29.440 0.5 . 1 . . . . . 45 Q CB . 15350 1
412 . 1 1 45 45 GLN CG C 13 34.490 0.5 . 1 . . . . . 45 Q CG . 15350 1
413 . 1 1 45 45 GLN N N 15 124.530 0.5 . 1 . . . . . 45 Q N . 15350 1
414 . 1 1 46 46 LEU H H 1 8.340 0.05 . 1 . . . . . 46 L HN . 15350 1
415 . 1 1 46 46 LEU HA H 1 4.380 0.05 . 1 . . . . . 46 L HA . 15350 1
416 . 1 1 46 46 LEU HB2 H 1 1.620 0.05 . 2 . . . . . 46 L HB1 . 15350 1
417 . 1 1 46 46 LEU HB3 H 1 1.800 0.05 . 2 . . . . . 46 L HB2 . 15350 1
418 . 1 1 46 46 LEU HD11 H 1 0.930 0.05 . 2 . . . . . 46 L HD11 . 15350 1
419 . 1 1 46 46 LEU HD12 H 1 0.930 0.05 . 2 . . . . . 46 L HD11 . 15350 1
420 . 1 1 46 46 LEU HD13 H 1 0.930 0.05 . 2 . . . . . 46 L HD11 . 15350 1
421 . 1 1 46 46 LEU HD21 H 1 0.850 0.05 . 2 . . . . . 46 L HD21 . 15350 1
422 . 1 1 46 46 LEU HD22 H 1 0.850 0.05 . 2 . . . . . 46 L HD21 . 15350 1
423 . 1 1 46 46 LEU HD23 H 1 0.850 0.05 . 2 . . . . . 46 L HD21 . 15350 1
424 . 1 1 46 46 LEU HG H 1 1.610 0.05 . 1 . . . . . 46 L HG . 15350 1
425 . 1 1 46 46 LEU CA C 13 55.800 0.5 . 1 . . . . . 46 L CA . 15350 1
426 . 1 1 46 46 LEU CB C 13 43.120 0.5 . 1 . . . . . 46 L CB . 15350 1
427 . 1 1 46 46 LEU CD1 C 13 24.880 0.5 . 1 . . . . . 46 L CD1 . 15350 1
428 . 1 1 46 46 LEU CD2 C 13 23.260 0.5 . 1 . . . . . 46 L CD2 . 15350 1
429 . 1 1 46 46 LEU CG C 13 27.160 0.5 . 1 . . . . . 46 L CG . 15350 1
430 . 1 1 46 46 LEU N N 15 120.620 0.5 . 1 . . . . . 46 L N . 15350 1
431 . 1 1 47 47 THR H H 1 7.520 0.05 . 1 . . . . . 47 T HN . 15350 1
432 . 1 1 47 47 THR HA H 1 4.020 0.05 . 1 . . . . . 47 T HA . 15350 1
433 . 1 1 47 47 THR HB H 1 3.420 0.05 . 1 . . . . . 47 T HB . 15350 1
434 . 1 1 47 47 THR HG21 H 1 1.230 0.05 . 1 . . . . . 47 T HG21 . 15350 1
435 . 1 1 47 47 THR HG22 H 1 1.230 0.05 . 1 . . . . . 47 T HG21 . 15350 1
436 . 1 1 47 47 THR HG23 H 1 1.230 0.05 . 1 . . . . . 47 T HG21 . 15350 1
437 . 1 1 47 47 THR CA C 13 62.770 0.5 . 1 . . . . . 47 T CA . 15350 1
438 . 1 1 47 47 THR CB C 13 68.390 0.5 . 1 . . . . . 47 T CB . 15350 1
439 . 1 1 47 47 THR CG2 C 13 22.870 0.5 . 1 . . . . . 47 T CG2 . 15350 1
440 . 1 1 47 47 THR N N 15 119.590 0.5 . 1 . . . . . 47 T N . 15350 1
441 . 1 1 48 48 LYS H H 1 8.490 0.05 . 1 . . . . . 48 K HN . 15350 1
442 . 1 1 48 48 LYS HA H 1 4.130 0.05 . 1 . . . . . 48 K HA . 15350 1
443 . 1 1 48 48 LYS HB2 H 1 2.000 0.05 . 2 . . . . . 48 K HB1 . 15350 1
444 . 1 1 48 48 LYS HB3 H 1 1.780 0.05 . 2 . . . . . 48 K HB2 . 15350 1
445 . 1 1 48 48 LYS HE2 H 1 3.020 0.05 . 2 . . . . . 48 K HE1 . 15350 1
446 . 1 1 48 48 LYS HE3 H 1 2.670 0.05 . 2 . . . . . 48 K HE2 . 15350 1
447 . 1 1 48 48 LYS HG2 H 1 1.590 0.05 . 2 . . . . . 48 K HG1 . 15350 1
448 . 1 1 48 48 LYS HG3 H 1 1.630 0.05 . 2 . . . . . 48 K HG2 . 15350 1
449 . 1 1 48 48 LYS CA C 13 56.880 0.5 . 1 . . . . . 48 K CA . 15350 1
450 . 1 1 48 48 LYS CB C 13 32.830 0.5 . 1 . . . . . 48 K CB . 15350 1
451 . 1 1 48 48 LYS CD C 13 29.270 0.5 . 1 . . . . . 48 K CD . 15350 1
452 . 1 1 48 48 LYS CE C 13 42.200 0.5 . 1 . . . . . 48 K CE . 15350 1
453 . 1 1 48 48 LYS CG C 13 25.210 0.5 . 1 . . . . . 48 K CG . 15350 1
454 . 1 1 48 48 LYS N N 15 125.990 0.5 . 1 . . . . . 48 K N . 15350 1
455 . 1 1 49 49 ASN H H 1 8.940 0.05 . 1 . . . . . 49 N HN . 15350 1
456 . 1 1 49 49 ASN HA H 1 4.160 0.05 . 1 . . . . . 49 N HA . 15350 1
457 . 1 1 49 49 ASN HB2 H 1 2.470 0.05 . 2 . . . . . 49 N HB1 . 15350 1
458 . 1 1 49 49 ASN HB3 H 1 2.670 0.05 . 2 . . . . . 49 N HB2 . 15350 1
459 . 1 1 49 49 ASN CA C 13 56.540 0.5 . 1 . . . . . 49 N CA . 15350 1
460 . 1 1 49 49 ASN CB C 13 38.340 0.5 . 1 . . . . . 49 N CB . 15350 1
461 . 1 1 49 49 ASN N N 15 122.070 0.5 . 1 . . . . . 49 N N . 15350 1
462 . 1 1 50 50 ALA H H 1 8.630 0.05 . 1 . . . . . 50 A HN . 15350 1
463 . 1 1 50 50 ALA HA H 1 3.830 0.05 . 1 . . . . . 50 A HA . 15350 1
464 . 1 1 50 50 ALA HB1 H 1 1.440 0.05 . 1 . . . . . 50 A HB1 . 15350 1
465 . 1 1 50 50 ALA HB2 H 1 1.440 0.05 . 1 . . . . . 50 A HB1 . 15350 1
466 . 1 1 50 50 ALA HB3 H 1 1.440 0.05 . 1 . . . . . 50 A HB1 . 15350 1
467 . 1 1 50 50 ALA CA C 13 55.240 0.5 . 1 . . . . . 50 A CA . 15350 1
468 . 1 1 50 50 ALA CB C 13 19.220 0.5 . 1 . . . . . 50 A CB . 15350 1
469 . 1 1 50 50 ALA N N 15 119.450 0.5 . 1 . . . . . 50 A N . 15350 1
470 . 1 1 51 51 VAL H H 1 6.990 0.05 . 1 . . . . . 51 V HN . 15350 1
471 . 1 1 51 51 VAL HA H 1 3.580 0.05 . 1 . . . . . 51 V HA . 15350 1
472 . 1 1 51 51 VAL HB H 1 2.130 0.05 . 1 . . . . . 51 V HB . 15350 1
473 . 1 1 51 51 VAL HG11 H 1 0.830 0.05 . 2 . . . . . 51 V HG11 . 15350 1
474 . 1 1 51 51 VAL HG12 H 1 0.830 0.05 . 2 . . . . . 51 V HG11 . 15350 1
475 . 1 1 51 51 VAL HG13 H 1 0.830 0.05 . 2 . . . . . 51 V HG11 . 15350 1
476 . 1 1 51 51 VAL HG21 H 1 1.004 0.05 . 2 . . . . . 51 V HG21 . 15350 1
477 . 1 1 51 51 VAL HG22 H 1 1.004 0.05 . 2 . . . . . 51 V HG21 . 15350 1
478 . 1 1 51 51 VAL HG23 H 1 1.004 0.05 . 2 . . . . . 51 V HG21 . 15350 1
479 . 1 1 51 51 VAL CA C 13 65.370 0.5 . 1 . . . . . 51 V CA . 15350 1
480 . 1 1 51 51 VAL CB C 13 31.590 0.5 . 1 . . . . . 51 V CB . 15350 1
481 . 1 1 51 51 VAL CG1 C 13 21.240 0.5 . 1 . . . . . 51 V CG1 . 15350 1
482 . 1 1 51 51 VAL CG2 C 13 22.440 0.5 . 1 . . . . . 51 V CG2 . 15350 1
483 . 1 1 51 51 VAL N N 15 117.660 0.5 . 1 . . . . . 51 V N . 15350 1
484 . 1 1 52 52 VAL H H 1 7.610 0.05 . 1 . . . . . 52 V HN . 15350 1
485 . 1 1 52 52 VAL HA H 1 3.160 0.05 . 1 . . . . . 52 V HA . 15350 1
486 . 1 1 52 52 VAL HB H 1 2.010 0.05 . 1 . . . . . 52 V HB . 15350 1
487 . 1 1 52 52 VAL HG11 H 1 0.750 0.05 . 2 . . . . . 52 V HG11 . 15350 1
488 . 1 1 52 52 VAL HG12 H 1 0.750 0.05 . 2 . . . . . 52 V HG11 . 15350 1
489 . 1 1 52 52 VAL HG13 H 1 0.750 0.05 . 2 . . . . . 52 V HG11 . 15350 1
490 . 1 1 52 52 VAL HG21 H 1 0.900 0.05 . 2 . . . . . 52 V HG21 . 15350 1
491 . 1 1 52 52 VAL HG22 H 1 0.900 0.05 . 2 . . . . . 52 V HG21 . 15350 1
492 . 1 1 52 52 VAL HG23 H 1 0.900 0.05 . 2 . . . . . 52 V HG21 . 15350 1
493 . 1 1 52 52 VAL CA C 13 68.180 0.5 . 1 . . . . . 52 V CA . 15350 1
494 . 1 1 52 52 VAL CB C 13 31.570 0.5 . 1 . . . . . 52 V CB . 15350 1
495 . 1 1 52 52 VAL CG1 C 13 22.390 0.5 . 1 . . . . . 52 V CG1 . 15350 1
496 . 1 1 52 52 VAL CG2 C 13 22.900 0.5 . 1 . . . . . 52 V CG2 . 15350 1
497 . 1 1 52 52 VAL N N 15 120.650 0.5 . 1 . . . . . 52 V N . 15350 1
498 . 1 1 53 53 LEU H H 1 7.840 0.05 . 1 . . . . . 53 L HN . 15350 1
499 . 1 1 53 53 LEU HA H 1 3.770 0.05 . 1 . . . . . 53 L HA . 15350 1
500 . 1 1 53 53 LEU HB2 H 1 1.450 0.05 . 2 . . . . . 53 L HB1 . 15350 1
501 . 1 1 53 53 LEU HB3 H 1 1.570 0.05 . 2 . . . . . 53 L HB2 . 15350 1
502 . 1 1 53 53 LEU HD11 H 1 0.830 0.05 . 2 . . . . . 53 L HD11 . 15350 1
503 . 1 1 53 53 LEU HD12 H 1 0.830 0.05 . 2 . . . . . 53 L HD11 . 15350 1
504 . 1 1 53 53 LEU HD13 H 1 0.830 0.05 . 2 . . . . . 53 L HD11 . 15350 1
505 . 1 1 53 53 LEU HD21 H 1 0.750 0.05 . 2 . . . . . 53 L HD21 . 15350 1
506 . 1 1 53 53 LEU HD22 H 1 0.750 0.05 . 2 . . . . . 53 L HD21 . 15350 1
507 . 1 1 53 53 LEU HD23 H 1 0.750 0.05 . 2 . . . . . 53 L HD21 . 15350 1
508 . 1 1 53 53 LEU CA C 13 58.050 0.5 . 1 . . . . . 53 L CA . 15350 1
509 . 1 1 53 53 LEU CB C 13 41.250 0.5 . 1 . . . . . 53 L CB . 15350 1
510 . 1 1 53 53 LEU CD1 C 13 24.600 0.5 . 1 . . . . . 53 L CD1 . 15350 1
511 . 1 1 53 53 LEU CD2 C 13 24.770 0.5 . 1 . . . . . 53 L CD2 . 15350 1
512 . 1 1 53 53 LEU N N 15 116.130 0.5 . 1 . . . . . 53 L N . 15350 1
513 . 1 1 54 54 LYS H H 1 7.310 0.05 . 1 . . . . . 54 K HN . 15350 1
514 . 1 1 54 54 LYS HA H 1 3.940 0.05 . 1 . . . . . 54 K HA . 15350 1
515 . 1 1 54 54 LYS HB2 H 1 1.920 0.05 . 2 . . . . . 54 K HB1 . 15350 1
516 . 1 1 54 54 LYS HB3 H 1 1.740 0.05 . 2 . . . . . 54 K HB2 . 15350 1
517 . 1 1 54 54 LYS HD2 H 1 1.670 0.05 . 2 . . . . . 54 K HD1 . 15350 1
518 . 1 1 54 54 LYS HD3 H 1 1.760 0.05 . 2 . . . . . 54 K HD2 . 15350 1
519 . 1 1 54 54 LYS HE2 H 1 3.010 0.05 . 2 . . . . . 54 K HE2 . 15350 1
520 . 1 1 54 54 LYS HG2 H 1 1.330 0.05 . 2 . . . . . 54 K HG2 . 15350 1
521 . 1 1 54 54 LYS CA C 13 58.550 0.5 . 1 . . . . . 54 K CA . 15350 1
522 . 1 1 54 54 LYS CB C 13 31.640 0.5 . 1 . . . . . 54 K CB . 15350 1
523 . 1 1 54 54 LYS CD C 13 28.180 0.5 . 1 . . . . . 54 K CD . 15350 1
524 . 1 1 54 54 LYS CE C 13 42.000 0.5 . 1 . . . . . 54 K CE . 15350 1
525 . 1 1 54 54 LYS CG C 13 24.400 0.5 . 1 . . . . . 54 K CG . 15350 1
526 . 1 1 54 54 LYS N N 15 119.050 0.5 . 1 . . . . . 54 K N . 15350 1
527 . 1 1 55 55 ARG H H 1 7.880 0.05 . 1 . . . . . 55 R HN . 15350 1
528 . 1 1 55 55 ARG HA H 1 3.930 0.05 . 1 . . . . . 55 R HA . 15350 1
529 . 1 1 55 55 ARG CA C 13 60.700 0.5 . 1 . . . . . 55 R CA . 15350 1
530 . 1 1 55 55 ARG CB C 13 30.870 0.5 . 1 . . . . . 55 R CB . 15350 1
531 . 1 1 55 55 ARG CG C 13 27.430 0.5 . 1 . . . . . 55 R CG . 15350 1
532 . 1 1 55 55 ARG N N 15 117.860 0.5 . 1 . . . . . 55 R N . 15350 1
533 . 1 1 56 56 ILE H H 1 7.650 0.05 . 1 . . . . . 56 I HN . 15350 1
534 . 1 1 56 56 ILE HA H 1 3.240 0.05 . 1 . . . . . 56 I HA . 15350 1
535 . 1 1 56 56 ILE HB H 1 1.730 0.05 . 1 . . . . . 56 I HB . 15350 1
536 . 1 1 56 56 ILE HD11 H 1 0.610 0.05 . 1 . . . . . 56 I HD11 . 15350 1
537 . 1 1 56 56 ILE HD12 H 1 0.610 0.05 . 1 . . . . . 56 I HD11 . 15350 1
538 . 1 1 56 56 ILE HD13 H 1 0.610 0.05 . 1 . . . . . 56 I HD11 . 15350 1
539 . 1 1 56 56 ILE HG12 H 1 1.940 0.05 . 1 . . . . . 56 I HG12 . 15350 1
540 . 1 1 56 56 ILE HG21 H 1 0.630 0.05 . 1 . . . . . 56 I HG21 . 15350 1
541 . 1 1 56 56 ILE HG22 H 1 0.630 0.05 . 1 . . . . . 56 I HG21 . 15350 1
542 . 1 1 56 56 ILE HG23 H 1 0.630 0.05 . 1 . . . . . 56 I HG21 . 15350 1
543 . 1 1 56 56 ILE CA C 13 65.580 0.5 . 1 . . . . . 56 I CA . 15350 1
544 . 1 1 56 56 ILE CB C 13 37.560 0.5 . 1 . . . . . 56 I CB . 15350 1
545 . 1 1 56 56 ILE CD1 C 13 14.180 0.5 . 1 . . . . . 56 I CD1 . 15350 1
546 . 1 1 56 56 ILE CG1 C 13 29.330 0.5 . 1 . . . . . 56 I CG1 . 15350 1
547 . 1 1 56 56 ILE CG2 C 13 18.920 0.5 . 1 . . . . . 56 I CG2 . 15350 1
548 . 1 1 56 56 ILE N N 15 118.030 0.5 . 1 . . . . . 56 I N . 15350 1
549 . 1 1 57 57 GLN H H 1 8.520 0.05 . 1 . . . . . 57 Q HN . 15350 1
550 . 1 1 57 57 GLN HA H 1 3.770 0.05 . 1 . . . . . 57 Q HA . 15350 1
551 . 1 1 57 57 GLN HG2 H 1 2.500 0.05 . 2 . . . . . 57 Q HG2 . 15350 1
552 . 1 1 57 57 GLN CA C 13 60.070 0.5 . 1 . . . . . 57 Q CA . 15350 1
553 . 1 1 57 57 GLN CB C 13 27.250 0.5 . 1 . . . . . 57 Q CB . 15350 1
554 . 1 1 57 57 GLN CG C 13 34.750 0.5 . 1 . . . . . 57 Q CG . 15350 1
555 . 1 1 57 57 GLN N N 15 120.060 0.5 . 1 . . . . . 57 Q N . 15350 1
556 . 1 1 58 58 HIS H H 1 8.520 0.05 . 1 . . . . . 58 H HN . 15350 1
557 . 1 1 58 58 HIS HA H 1 4.282 0.05 . 1 . . . . . 58 H HA . 15350 1
558 . 1 1 58 58 HIS CA C 13 56.440 0.5 . 1 . . . . . 58 H CA . 15350 1
559 . 1 1 58 58 HIS CB C 13 28.600 0.5 . 1 . . . . . 58 H CB . 15350 1
560 . 1 1 58 58 HIS N N 15 118.320 0.5 . 1 . . . . . 58 H N . 15350 1
561 . 1 1 59 59 LEU H H 1 7.670 0.05 . 1 . . . . . 59 L HN . 15350 1
562 . 1 1 59 59 LEU HA H 1 3.340 0.05 . 1 . . . . . 59 L HA . 15350 1
563 . 1 1 59 59 LEU HB2 H 1 -0.060 0.05 . 2 . . . . . 59 L HB1 . 15350 1
564 . 1 1 59 59 LEU HB3 H 1 1.620 0.05 . 2 . . . . . 59 L HB2 . 15350 1
565 . 1 1 59 59 LEU HD11 H 1 0.400 0.05 . 2 . . . . . 59 L HD11 . 15350 1
566 . 1 1 59 59 LEU HD12 H 1 0.400 0.05 . 2 . . . . . 59 L HD11 . 15350 1
567 . 1 1 59 59 LEU HD13 H 1 0.400 0.05 . 2 . . . . . 59 L HD11 . 15350 1
568 . 1 1 59 59 LEU HD21 H 1 -0.120 0.05 . 2 . . . . . 59 L HD21 . 15350 1
569 . 1 1 59 59 LEU HD22 H 1 -0.120 0.05 . 2 . . . . . 59 L HD21 . 15350 1
570 . 1 1 59 59 LEU HD23 H 1 -0.120 0.05 . 2 . . . . . 59 L HD21 . 15350 1
571 . 1 1 59 59 LEU HG H 1 0.900 0.05 . 1 . . . . . 59 L HG . 15350 1
572 . 1 1 59 59 LEU CA C 13 58.430 0.5 . 1 . . . . . 59 L CA . 15350 1
573 . 1 1 59 59 LEU CB C 13 39.670 0.5 . 1 . . . . . 59 L CB . 15350 1
574 . 1 1 59 59 LEU CD1 C 13 21.400 0.5 . 1 . . . . . 59 L CD1 . 15350 1
575 . 1 1 59 59 LEU CD2 C 13 26.400 0.5 . 1 . . . . . 59 L CD2 . 15350 1
576 . 1 1 59 59 LEU CG C 13 26.050 0.5 . 1 . . . . . 59 L CG . 15350 1
577 . 1 1 59 59 LEU N N 15 123.430 0.5 . 1 . . . . . 59 L N . 15350 1
578 . 1 1 60 60 ASP H H 1 8.490 0.05 . 1 . . . . . 60 D HN . 15350 1
579 . 1 1 60 60 ASP HA H 1 3.530 0.05 . 1 . . . . . 60 D HA . 15350 1
580 . 1 1 60 60 ASP HB2 H 1 1.180 0.05 . 2 . . . . . 60 D HB1 . 15350 1
581 . 1 1 60 60 ASP HB3 H 1 2.320 0.05 . 2 . . . . . 60 D HB2 . 15350 1
582 . 1 1 60 60 ASP CA C 13 59.290 0.5 . 1 . . . . . 60 D CA . 15350 1
583 . 1 1 60 60 ASP CB C 13 42.470 0.5 . 1 . . . . . 60 D CB . 15350 1
584 . 1 1 60 60 ASP N N 15 120.620 0.5 . 1 . . . . . 60 D N . 15350 1
585 . 1 1 61 61 GLU H H 1 8.410 0.05 . 1 . . . . . 61 E HN . 15350 1
586 . 1 1 61 61 GLU HA H 1 4.190 0.05 . 1 . . . . . 61 E HA . 15350 1
587 . 1 1 61 61 GLU HB2 H 1 2.380 0.05 . 2 . . . . . 61 E HB2 . 15350 1
588 . 1 1 61 61 GLU HG2 H 1 2.200 0.05 . 2 . . . . . 61 E HG1 . 15350 1
589 . 1 1 61 61 GLU HG3 H 1 2.540 0.05 . 2 . . . . . 61 E HG2 . 15350 1
590 . 1 1 61 61 GLU CA C 13 59.460 0.5 . 1 . . . . . 61 E CA . 15350 1
591 . 1 1 61 61 GLU CB C 13 29.580 0.5 . 1 . . . . . 61 E CB . 15350 1
592 . 1 1 61 61 GLU CG C 13 36.440 0.5 . 1 . . . . . 61 E CG . 15350 1
593 . 1 1 61 61 GLU N N 15 118.910 0.5 . 1 . . . . . 61 E N . 15350 1
594 . 1 1 62 62 ALA H H 1 8.390 0.05 . 1 . . . . . 62 A HN . 15350 1
595 . 1 1 62 62 ALA HA H 1 3.880 0.05 . 1 . . . . . 62 A HA . 15350 1
596 . 1 1 62 62 ALA HB1 H 1 1.810 0.05 . 1 . . . . . 62 A HB1 . 15350 1
597 . 1 1 62 62 ALA HB2 H 1 1.810 0.05 . 1 . . . . . 62 A HB1 . 15350 1
598 . 1 1 62 62 ALA HB3 H 1 1.810 0.05 . 1 . . . . . 62 A HB1 . 15350 1
599 . 1 1 62 62 ALA CA C 13 55.540 0.5 . 1 . . . . . 62 A CA . 15350 1
600 . 1 1 62 62 ALA CB C 13 21.730 0.5 . 1 . . . . . 62 A CB . 15350 1
601 . 1 1 62 62 ALA N N 15 121.940 0.5 . 1 . . . . . 62 A N . 15350 1
602 . 1 1 63 63 TYR H H 1 9.000 0.05 . 1 . . . . . 63 Y HN . 15350 1
603 . 1 1 63 63 TYR HA H 1 3.690 0.05 . 1 . . . . . 63 Y HA . 15350 1
604 . 1 1 63 63 TYR HB2 H 1 3.730 0.05 . 2 . . . . . 63 Y HB1 . 15350 1
605 . 1 1 63 63 TYR HB3 H 1 2.940 0.05 . 2 . . . . . 63 Y HB2 . 15350 1
606 . 1 1 63 63 TYR HD1 H 1 6.950 0.05 . 3 . . . . . 63 Y HD1 . 15350 1
607 . 1 1 63 63 TYR HE1 H 1 6.680 0.05 . 3 . . . . . 63 Y HE1 . 15350 1
608 . 1 1 63 63 TYR CA C 13 62.120 0.5 . 1 . . . . . 63 Y CA . 15350 1
609 . 1 1 63 63 TYR CB C 13 38.680 0.5 . 1 . . . . . 63 Y CB . 15350 1
610 . 1 1 63 63 TYR CD1 C 13 133.400 0.5 . 3 . . . . . 63 Y CD1 . 15350 1
611 . 1 1 63 63 TYR CE1 C 13 117.900 0.5 . 3 . . . . . 63 Y CE1 . 15350 1
612 . 1 1 63 63 TYR N N 15 118.960 0.5 . 1 . . . . . 63 Y N . 15350 1
613 . 1 1 64 64 ASN H H 1 8.280 0.05 . 1 . . . . . 64 N HN . 15350 1
614 . 1 1 64 64 ASN HA H 1 4.180 0.05 . 1 . . . . . 64 N HA . 15350 1
615 . 1 1 64 64 ASN HB2 H 1 2.470 0.05 . 2 . . . . . 64 N HB1 . 15350 1
616 . 1 1 64 64 ASN HB3 H 1 2.670 0.05 . 2 . . . . . 64 N HB2 . 15350 1
617 . 1 1 64 64 ASN CA C 13 56.510 0.5 . 1 . . . . . 64 N CA . 15350 1
618 . 1 1 64 64 ASN CB C 13 38.120 0.5 . 1 . . . . . 64 N CB . 15350 1
619 . 1 1 64 64 ASN N N 15 117.640 0.5 . 1 . . . . . 64 N N . 15350 1
620 . 1 1 65 65 LYS H H 1 8.190 0.05 . 1 . . . . . 65 K HN . 15350 1
621 . 1 1 65 65 LYS HA H 1 4.000 0.05 . 1 . . . . . 65 K HA . 15350 1
622 . 1 1 65 65 LYS HB2 H 1 1.950 0.05 . 2 . . . . . 65 K HB2 . 15350 1
623 . 1 1 65 65 LYS CA C 13 59.930 0.5 . 1 . . . . . 65 K CA . 15350 1
624 . 1 1 65 65 LYS CB C 13 32.530 0.5 . 1 . . . . . 65 K CB . 15350 1
625 . 1 1 65 65 LYS CG C 13 26.020 0.5 . 1 . . . . . 65 K CG . 15350 1
626 . 1 1 65 65 LYS N N 15 120.650 0.5 . 1 . . . . . 65 K N . 15350 1
627 . 1 1 66 66 VAL H H 1 8.460 0.05 . 1 . . . . . 66 V HN . 15350 1
628 . 1 1 66 66 VAL HA H 1 3.670 0.05 . 1 . . . . . 66 V HA . 15350 1
629 . 1 1 66 66 VAL HB H 1 1.950 0.05 . 1 . . . . . 66 V HB . 15350 1
630 . 1 1 66 66 VAL HG11 H 1 0.830 0.05 . 2 . . . . . 66 V HG11 . 15350 1
631 . 1 1 66 66 VAL HG12 H 1 0.830 0.05 . 2 . . . . . 66 V HG11 . 15350 1
632 . 1 1 66 66 VAL HG13 H 1 0.830 0.05 . 2 . . . . . 66 V HG11 . 15350 1
633 . 1 1 66 66 VAL HG21 H 1 1.140 0.05 . 2 . . . . . 66 V HG21 . 15350 1
634 . 1 1 66 66 VAL HG22 H 1 1.140 0.05 . 2 . . . . . 66 V HG21 . 15350 1
635 . 1 1 66 66 VAL HG23 H 1 1.140 0.05 . 2 . . . . . 66 V HG21 . 15350 1
636 . 1 1 66 66 VAL CA C 13 65.860 0.5 . 1 . . . . . 66 V CA . 15350 1
637 . 1 1 66 66 VAL CB C 13 32.210 0.5 . 1 . . . . . 66 V CB . 15350 1
638 . 1 1 66 66 VAL CG1 C 13 22.300 0.5 . 1 . . . . . 66 V CG1 . 15350 1
639 . 1 1 66 66 VAL CG2 C 13 25.430 0.5 . 1 . . . . . 66 V CG2 . 15350 1
640 . 1 1 66 66 VAL N N 15 120.820 0.5 . 1 . . . . . 66 V N . 15350 1
641 . 1 1 67 67 LYS H H 1 8.520 0.05 . 1 . . . . . 67 K HN . 15350 1
642 . 1 1 67 67 LYS HA H 1 3.560 0.05 . 1 . . . . . 67 K HA . 15350 1
643 . 1 1 67 67 LYS HB2 H 1 1.480 0.05 . 2 . . . . . 67 K HB1 . 15350 1
644 . 1 1 67 67 LYS HB3 H 1 1.750 0.05 . 2 . . . . . 67 K HB2 . 15350 1
645 . 1 1 67 67 LYS HD2 H 1 1.630 0.05 . 2 . . . . . 67 K HD2 . 15350 1
646 . 1 1 67 67 LYS HG2 H 1 1.340 0.05 . 2 . . . . . 67 K HG1 . 15350 1
647 . 1 1 67 67 LYS HG3 H 1 1.230 0.05 . 2 . . . . . 67 K HG2 . 15350 1
648 . 1 1 67 67 LYS CA C 13 59.580 0.5 . 1 . . . . . 67 K CA . 15350 1
649 . 1 1 67 67 LYS CB C 13 32.360 0.5 . 1 . . . . . 67 K CB . 15350 1
650 . 1 1 67 67 LYS CD C 13 29.920 0.5 . 1 . . . . . 67 K CD . 15350 1
651 . 1 1 67 67 LYS CG C 13 24.890 0.5 . 1 . . . . . 67 K CG . 15350 1
652 . 1 1 67 67 LYS N N 15 120.740 0.5 . 1 . . . . . 67 K N . 15350 1
653 . 1 1 68 68 ARG H H 1 7.460 0.05 . 1 . . . . . 68 R HN . 15350 1
654 . 1 1 68 68 ARG HA H 1 4.200 0.05 . 1 . . . . . 68 R HA . 15350 1
655 . 1 1 68 68 ARG HB2 H 1 1.800 0.05 . 2 . . . . . 68 R HB1 . 15350 1
656 . 1 1 68 68 ARG HB3 H 1 1.900 0.05 . 2 . . . . . 68 R HB2 . 15350 1
657 . 1 1 68 68 ARG HD2 H 1 3.200 0.05 . 2 . . . . . 68 R HD2 . 15350 1
658 . 1 1 68 68 ARG HG2 H 1 1.710 0.05 . 2 . . . . . 68 R HG1 . 15350 1
659 . 1 1 68 68 ARG HG3 H 1 1.780 0.05 . 2 . . . . . 68 R HG2 . 15350 1
660 . 1 1 68 68 ARG CA C 13 57.560 0.5 . 1 . . . . . 68 R CA . 15350 1
661 . 1 1 68 68 ARG CB C 13 30.650 0.5 . 1 . . . . . 68 R CB . 15350 1
662 . 1 1 68 68 ARG CD C 13 43.600 0.5 . 1 . . . . . 68 R CD . 15350 1
663 . 1 1 68 68 ARG CG C 13 27.400 0.5 . 1 . . . . . 68 R CG . 15350 1
664 . 1 1 68 68 ARG N N 15 116.250 0.5 . 1 . . . . . 68 R N . 15350 1
665 . 1 1 69 69 GLY H H 1 7.670 0.05 . 1 . . . . . 69 G HN . 15350 1
666 . 1 1 69 69 GLY HA2 H 1 3.960 0.05 . 2 . . . . . 69 G HA2 . 15350 1
667 . 1 1 69 69 GLY CA C 13 45.680 0.5 . 1 . . . . . 69 G CA . 15350 1
668 . 1 1 69 69 GLY N N 15 107.370 0.5 . 1 . . . . . 69 G N . 15350 1
669 . 1 1 70 70 GLU H H 1 8.150 0.05 . 1 . . . . . 70 E HN . 15350 1
670 . 1 1 70 70 GLU HA H 1 4.320 0.05 . 1 . . . . . 70 E HA . 15350 1
671 . 1 1 70 70 GLU HB2 H 1 2.080 0.05 . 2 . . . . . 70 E HB1 . 15350 1
672 . 1 1 70 70 GLU HB3 H 1 2.240 0.05 . 2 . . . . . 70 E HB2 . 15350 1
673 . 1 1 70 70 GLU HG2 H 1 2.080 0.05 . 2 . . . . . 70 E HG1 . 15350 1
674 . 1 1 70 70 GLU HG3 H 1 2.260 0.05 . 2 . . . . . 70 E HG2 . 15350 1
675 . 1 1 70 70 GLU CA C 13 56.310 0.5 . 1 . . . . . 70 E CA . 15350 1
676 . 1 1 70 70 GLU CB C 13 30.390 0.5 . 1 . . . . . 70 E CB . 15350 1
677 . 1 1 70 70 GLU CG C 13 36.110 0.5 . 1 . . . . . 70 E CG . 15350 1
678 . 1 1 70 70 GLU N N 15 120.290 0.5 . 1 . . . . . 70 E N . 15350 1
679 . 1 1 71 71 SER H H 1 8.250 0.05 . 1 . . . . . 71 S HN . 15350 1
680 . 1 1 71 71 SER HA H 1 4.410 0.05 . 1 . . . . . 71 S HA . 15350 1
681 . 1 1 71 71 SER HB2 H 1 3.890 0.05 . 2 . . . . . 71 S HB1 . 15350 1
682 . 1 1 71 71 SER HB3 H 1 3.850 0.05 . 2 . . . . . 71 S HB2 . 15350 1
683 . 1 1 71 71 SER CA C 13 58.570 0.5 . 1 . . . . . 71 S CA . 15350 1
684 . 1 1 71 71 SER CB C 13 63.840 0.5 . 1 . . . . . 71 S CB . 15350 1
685 . 1 1 71 71 SER N N 15 116.970 0.5 . 1 . . . . . 71 S N . 15350 1
686 . 1 1 72 72 LYS H H 1 8.320 0.05 . 1 . . . . . 72 K HN . 15350 1
687 . 1 1 72 72 LYS HA H 1 4.265 0.05 . 1 . . . . . 72 K HA . 15350 1
688 . 1 1 72 72 LYS HB2 H 1 1.760 0.05 . 2 . . . . . 72 K HB1 . 15350 1
689 . 1 1 72 72 LYS HB3 H 1 1.840 0.05 . 2 . . . . . 72 K HB2 . 15350 1
690 . 1 1 72 72 LYS HD2 H 1 1.670 0.05 . 2 . . . . . 72 K HD2 . 15350 1
691 . 1 1 72 72 LYS HG2 H 1 1.390 0.05 . 2 . . . . . 72 K HG1 . 15350 1
692 . 1 1 72 72 LYS HG3 H 1 1.440 0.05 . 2 . . . . . 72 K HG2 . 15350 1
693 . 1 1 72 72 LYS CA C 13 56.690 0.5 . 1 . . . . . 72 K CA . 15350 1
694 . 1 1 72 72 LYS CB C 13 32.820 0.5 . 1 . . . . . 72 K CB . 15350 1
695 . 1 1 72 72 LYS CD C 13 28.970 0.5 . 1 . . . . . 72 K CD . 15350 1
696 . 1 1 72 72 LYS CE C 13 42.290 0.5 . 1 . . . . . 72 K CE . 15350 1
697 . 1 1 72 72 LYS CG C 13 24.660 0.5 . 1 . . . . . 72 K CG . 15350 1
698 . 1 1 72 72 LYS N N 15 123.140 0.5 . 1 . . . . . 72 K N . 15350 1
699 . 1 1 73 73 LEU H H 1 8.070 0.05 . 1 . . . . . 73 L HN . 15350 1
700 . 1 1 73 73 LEU HA H 1 4.250 0.05 . 1 . . . . . 73 L HA . 15350 1
701 . 1 1 73 73 LEU HB2 H 1 1.490 0.05 . 2 . . . . . 73 L HB1 . 15350 1
702 . 1 1 73 73 LEU HB3 H 1 1.570 0.05 . 2 . . . . . 73 L HB2 . 15350 1
703 . 1 1 73 73 LEU HD11 H 1 0.880 0.05 . 2 . . . . . 73 L HD11 . 15350 1
704 . 1 1 73 73 LEU HD12 H 1 0.880 0.05 . 2 . . . . . 73 L HD11 . 15350 1
705 . 1 1 73 73 LEU HD13 H 1 0.880 0.05 . 2 . . . . . 73 L HD11 . 15350 1
706 . 1 1 73 73 LEU HD21 H 1 0.820 0.05 . 2 . . . . . 73 L HD21 . 15350 1
707 . 1 1 73 73 LEU HD22 H 1 0.820 0.05 . 2 . . . . . 73 L HD21 . 15350 1
708 . 1 1 73 73 LEU HD23 H 1 0.820 0.05 . 2 . . . . . 73 L HD21 . 15350 1
709 . 1 1 73 73 LEU HG H 1 1.550 0.05 . 1 . . . . . 73 L HG . 15350 1
710 . 1 1 73 73 LEU CA C 13 55.210 0.5 . 1 . . . . . 73 L CA . 15350 1
711 . 1 1 73 73 LEU CB C 13 42.230 0.5 . 1 . . . . . 73 L CB . 15350 1
712 . 1 1 73 73 LEU CD1 C 13 24.860 0.5 . 1 . . . . . 73 L CD1 . 15350 1
713 . 1 1 73 73 LEU CD2 C 13 23.410 0.5 . 1 . . . . . 73 L CD2 . 15350 1
714 . 1 1 73 73 LEU CG C 13 26.880 0.5 . 1 . . . . . 73 L CG . 15350 1
715 . 1 1 73 73 LEU N N 15 122.390 0.5 . 1 . . . . . 73 L N . 15350 1
716 . 1 1 74 74 GLU H H 1 8.130 0.05 . 1 . . . . . 74 E HN . 15350 1
717 . 1 1 74 74 GLU HA H 1 4.180 0.05 . 1 . . . . . 74 E HA . 15350 1
718 . 1 1 74 74 GLU HB2 H 1 1.870 0.05 . 2 . . . . . 74 E HB2 . 15350 1
719 . 1 1 74 74 GLU HG2 H 1 2.150 0.05 . 2 . . . . . 74 E HG1 . 15350 1
720 . 1 1 74 74 GLU HG3 H 1 2.190 0.05 . 2 . . . . . 74 E HG2 . 15350 1
721 . 1 1 74 74 GLU CA C 13 56.280 0.5 . 1 . . . . . 74 E CA . 15350 1
722 . 1 1 74 74 GLU CB C 13 30.460 0.5 . 1 . . . . . 74 E CB . 15350 1
723 . 1 1 74 74 GLU CG C 13 36.060 0.5 . 1 . . . . . 74 E CG . 15350 1
724 . 1 1 74 74 GLU N N 15 121.430 0.5 . 1 . . . . . 74 E N . 15350 1
725 . 1 1 75 75 HIS H H 1 8.410 0.05 . 1 . . . . . 75 H HN . 15350 1
726 . 1 1 75 75 HIS HA H 1 4.640 0.05 . 1 . . . . . 75 H HA . 15350 1
727 . 1 1 75 75 HIS HB2 H 1 3.210 0.05 . 2 . . . . . 75 H HB2 . 15350 1
728 . 1 1 75 75 HIS CA C 13 55.480 0.5 . 1 . . . . . 75 H CA . 15350 1
729 . 1 1 75 75 HIS CB C 13 29.420 0.5 . 1 . . . . . 75 H CB . 15350 1
730 . 1 1 75 75 HIS N N 15 119.470 0.5 . 1 . . . . . 75 H N . 15350 1
731 . 1 1 76 76 HIS H H 1 8.300 0.05 . 1 . . . . . 76 H HN . 15350 1
732 . 1 1 76 76 HIS HA H 1 4.450 0.05 . 1 . . . . . 76 H HA . 15350 1
733 . 1 1 76 76 HIS HB2 H 1 3.126 0.05 . 2 . . . . . 76 H HB1 . 15350 1
734 . 1 1 76 76 HIS HB3 H 1 3.239 0.05 . 2 . . . . . 76 H HB2 . 15350 1
735 . 1 1 76 76 HIS CA C 13 57.150 0.5 . 1 . . . . . 76 H CA . 15350 1
736 . 1 1 76 76 HIS CB C 13 29.710 0.5 . 1 . . . . . 76 H CB . 15350 1
737 . 1 1 76 76 HIS N N 15 125.500 0.5 . 1 . . . . . 76 H N . 15350 1
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