Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30501
_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 $chem_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 '3D CBCA(CO)NH' . . . 30501 1
2 '3D 1H-13C NOESY aliphatic' . . . 30501 1
3 '3D filtered 1H-13C NOESY aliphatic' . . . 30501 1
4 '3D filtered 1H-15N NOESY' . . . 30501 1
5 '3D HBHA(CO)NH' . . . 30501 1
6 '3D 1H-15N NOESY' . . . 30501 1
7 '3D HCCH-TOCSY' . . . 30501 1
8 '2D 1H-1H TOCSY' . . . 30501 1
9 '3D HNCA' . . . 30501 1
10 '3D CBCA(CO)NH' . . . 30501 1
11 '3D HBHA(CO)NH' . . . 30501 1
12 '3D HCCH-TOCSY' . . . 30501 1
13 '3D HNCACB' . . . 30501 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 2 2 PRO HA H 1 4.466 0.002 . . . . . . B 812 PRO HA . 30501 1
2 . 1 1 2 2 PRO HB2 H 1 1.942 0.003 . . . . . . B 812 PRO HB2 . 30501 1
3 . 1 1 2 2 PRO HB3 H 1 2.302 0.001 . . . . . . B 812 PRO HB3 . 30501 1
4 . 1 1 2 2 PRO HG2 H 1 2.000 0.001 . . . . . . B 812 PRO HG2 . 30501 1
5 . 1 1 2 2 PRO HD2 H 1 3.552 0.002 . . . . . . B 812 PRO HD2 . 30501 1
6 . 1 1 2 2 PRO CA C 13 63.146 0.000 . . . . . . B 812 PRO CA . 30501 1
7 . 1 1 2 2 PRO CB C 13 32.334 0.005 . . . . . . B 812 PRO CB . 30501 1
8 . 1 1 2 2 PRO CG C 13 27.107 0.000 . . . . . . B 812 PRO CG . 30501 1
9 . 1 1 2 2 PRO CD C 13 49.705 0.000 . . . . . . B 812 PRO CD . 30501 1
10 . 1 1 3 3 LEU H H 1 8.554 0.001 . . . . . . B 813 LEU H . 30501 1
11 . 1 1 3 3 LEU HA H 1 4.350 0.005 . . . . . . B 813 LEU HA . 30501 1
12 . 1 1 3 3 LEU HB2 H 1 1.669 0.003 . . . . . . B 813 LEU HB2 . 30501 1
13 . 1 1 3 3 LEU HB3 H 1 1.608 0.002 . . . . . . B 813 LEU HB3 . 30501 1
14 . 1 1 3 3 LEU HG H 1 0.925 0.004 . . . . . . B 813 LEU HG . 30501 1
15 . 1 1 3 3 LEU HD11 H 1 0.928 0.003 . . . . . . B 813 LEU HD11 . 30501 1
16 . 1 1 3 3 LEU HD12 H 1 0.928 0.003 . . . . . . B 813 LEU HD12 . 30501 1
17 . 1 1 3 3 LEU HD13 H 1 0.928 0.003 . . . . . . B 813 LEU HD13 . 30501 1
18 . 1 1 3 3 LEU HD21 H 1 0.887 0.001 . . . . . . B 813 LEU HD21 . 30501 1
19 . 1 1 3 3 LEU HD22 H 1 0.887 0.001 . . . . . . B 813 LEU HD22 . 30501 1
20 . 1 1 3 3 LEU HD23 H 1 0.887 0.001 . . . . . . B 813 LEU HD23 . 30501 1
21 . 1 1 3 3 LEU CA C 13 55.571 0.029 . . . . . . B 813 LEU CA . 30501 1
22 . 1 1 3 3 LEU CB C 13 42.306 0.003 . . . . . . B 813 LEU CB . 30501 1
23 . 1 1 3 3 LEU CG C 13 27.008 0.000 . . . . . . B 813 LEU CG . 30501 1
24 . 1 1 3 3 LEU CD1 C 13 24.873 0.000 . . . . . . B 813 LEU CD1 . 30501 1
25 . 1 1 3 3 LEU CD2 C 13 23.647 0.000 . . . . . . B 813 LEU CD2 . 30501 1
26 . 1 1 3 3 LEU N N 15 122.813 0.022 . . . . . . B 813 LEU N . 30501 1
27 . 1 1 4 4 GLY H H 1 8.406 0.001 . . . . . . B 814 GLY H . 30501 1
28 . 1 1 4 4 GLY HA3 H 1 3.981 0.000 . . . . . . B 814 GLY HA3 . 30501 1
29 . 1 1 4 4 GLY CA C 13 45.395 0.000 . . . . . . B 814 GLY CA . 30501 1
30 . 1 1 4 4 GLY N N 15 109.162 0.004 . . . . . . B 814 GLY N . 30501 1
31 . 1 1 5 5 SER H H 1 8.108 0.002 . . . . . . B 815 SER H . 30501 1
32 . 1 1 5 5 SER HA H 1 4.511 0.001 . . . . . . B 815 SER HA . 30501 1
33 . 1 1 5 5 SER HB2 H 1 3.825 0.003 . . . . . . B 815 SER HB2 . 30501 1
34 . 1 1 5 5 SER CA C 13 58.037 0.027 . . . . . . B 815 SER CA . 30501 1
35 . 1 1 5 5 SER CB C 13 64.171 0.015 . . . . . . B 815 SER CB . 30501 1
36 . 1 1 5 5 SER N N 15 115.163 0.008 . . . . . . B 815 SER N . 30501 1
37 . 1 1 6 6 VAL H H 1 8.223 0.002 . . . . . . B 816 VAL H . 30501 1
38 . 1 1 6 6 VAL HA H 1 3.937 0.002 . . . . . . B 816 VAL HA . 30501 1
39 . 1 1 6 6 VAL HB H 1 1.996 0.002 . . . . . . B 816 VAL HB . 30501 1
40 . 1 1 6 6 VAL HG11 H 1 0.933 0.003 . . . . . . B 816 VAL HG11 . 30501 1
41 . 1 1 6 6 VAL HG12 H 1 0.933 0.003 . . . . . . B 816 VAL HG12 . 30501 1
42 . 1 1 6 6 VAL HG13 H 1 0.933 0.003 . . . . . . B 816 VAL HG13 . 30501 1
43 . 1 1 6 6 VAL HG21 H 1 0.592 0.003 . . . . . . B 816 VAL HG21 . 30501 1
44 . 1 1 6 6 VAL HG22 H 1 0.592 0.003 . . . . . . B 816 VAL HG22 . 30501 1
45 . 1 1 6 6 VAL HG23 H 1 0.592 0.003 . . . . . . B 816 VAL HG23 . 30501 1
46 . 1 1 6 6 VAL CA C 13 62.984 0.000 . . . . . . B 816 VAL CA . 30501 1
47 . 1 1 6 6 VAL CB C 13 32.898 0.000 . . . . . . B 816 VAL CB . 30501 1
48 . 1 1 6 6 VAL CG1 C 13 21.346 0.037 . . . . . . B 816 VAL CG1 . 30501 1
49 . 1 1 6 6 VAL CG2 C 13 20.564 0.028 . . . . . . B 816 VAL CG2 . 30501 1
50 . 1 1 6 6 VAL N N 15 123.582 0.008 . . . . . . B 816 VAL N . 30501 1
51 . 1 1 7 7 GLN H H 1 8.452 0.003 . . . . . . B 817 GLN H . 30501 1
52 . 1 1 7 7 GLN HA H 1 4.671 0.005 . . . . . . B 817 GLN HA . 30501 1
53 . 1 1 7 7 GLN HB2 H 1 1.996 0.003 . . . . . . B 817 GLN HB2 . 30501 1
54 . 1 1 7 7 GLN HB3 H 1 1.806 0.005 . . . . . . B 817 GLN HB3 . 30501 1
55 . 1 1 7 7 GLN HG2 H 1 2.189 0.003 . . . . . . B 817 GLN HG2 . 30501 1
56 . 1 1 7 7 GLN HG3 H 1 2.366 0.003 . . . . . . B 817 GLN HG3 . 30501 1
57 . 1 1 7 7 GLN HE21 H 1 6.823 0.004 . . . . . . B 817 GLN HE21 . 30501 1
58 . 1 1 7 7 GLN HE22 H 1 7.408 0.001 . . . . . . B 817 GLN HE22 . 30501 1
59 . 1 1 7 7 GLN CA C 13 54.560 0.018 . . . . . . B 817 GLN CA . 30501 1
60 . 1 1 7 7 GLN CB C 13 30.596 0.026 . . . . . . B 817 GLN CB . 30501 1
61 . 1 1 7 7 GLN CG C 13 33.904 0.013 . . . . . . B 817 GLN CG . 30501 1
62 . 1 1 7 7 GLN N N 15 123.502 0.017 . . . . . . B 817 GLN N . 30501 1
63 . 1 1 7 7 GLN NE2 N 15 111.619 0.026 . . . . . . B 817 GLN NE2 . 30501 1
64 . 1 1 8 8 HIS H H 1 9.170 0.002 . . . . . . B 818 HIS H . 30501 1
65 . 1 1 8 8 HIS HA H 1 4.550 0.003 . . . . . . B 818 HIS HA . 30501 1
66 . 1 1 8 8 HIS HB2 H 1 2.650 0.007 . . . . . . B 818 HIS HB2 . 30501 1
67 . 1 1 8 8 HIS HB3 H 1 3.199 0.006 . . . . . . B 818 HIS HB3 . 30501 1
68 . 1 1 8 8 HIS HD2 H 1 6.740 0.011 . . . . . . B 818 HIS HD2 . 30501 1
69 . 1 1 8 8 HIS HE1 H 1 6.906 0.000 . . . . . . B 818 HIS HE1 . 30501 1
70 . 1 1 8 8 HIS CA C 13 54.430 0.026 . . . . . . B 818 HIS CA . 30501 1
71 . 1 1 8 8 HIS CB C 13 29.622 0.009 . . . . . . B 818 HIS CB . 30501 1
72 . 1 1 8 8 HIS N N 15 125.551 0.008 . . . . . . B 818 HIS N . 30501 1
73 . 1 1 9 9 VAL H H 1 7.656 0.002 . . . . . . B 819 VAL H . 30501 1
74 . 1 1 9 9 VAL HA H 1 3.639 0.002 . . . . . . B 819 VAL HA . 30501 1
75 . 1 1 9 9 VAL HB H 1 1.978 0.004 . . . . . . B 819 VAL HB . 30501 1
76 . 1 1 9 9 VAL HG11 H 1 0.985 0.002 . . . . . . B 819 VAL HG11 . 30501 1
77 . 1 1 9 9 VAL HG12 H 1 0.985 0.002 . . . . . . B 819 VAL HG12 . 30501 1
78 . 1 1 9 9 VAL HG13 H 1 0.985 0.002 . . . . . . B 819 VAL HG13 . 30501 1
79 . 1 1 9 9 VAL HG21 H 1 0.905 0.000 . . . . . . B 819 VAL HG21 . 30501 1
80 . 1 1 9 9 VAL HG22 H 1 0.905 0.000 . . . . . . B 819 VAL HG22 . 30501 1
81 . 1 1 9 9 VAL HG23 H 1 0.905 0.000 . . . . . . B 819 VAL HG23 . 30501 1
82 . 1 1 9 9 VAL CA C 13 65.173 0.013 . . . . . . B 819 VAL CA . 30501 1
83 . 1 1 9 9 VAL CB C 13 31.516 0.052 . . . . . . B 819 VAL CB . 30501 1
84 . 1 1 9 9 VAL CG1 C 13 21.711 0.018 . . . . . . B 819 VAL CG1 . 30501 1
85 . 1 1 9 9 VAL CG2 C 13 21.265 0.021 . . . . . . B 819 VAL CG2 . 30501 1
86 . 1 1 9 9 VAL N N 15 122.266 0.008 . . . . . . B 819 VAL N . 30501 1
87 . 1 1 10 10 GLY H H 1 9.517 0.002 . . . . . . B 820 GLY H . 30501 1
88 . 1 1 10 10 GLY HA2 H 1 3.571 0.003 . . . . . . B 820 GLY HA2 . 30501 1
89 . 1 1 10 10 GLY HA3 H 1 3.933 0.003 . . . . . . B 820 GLY HA3 . 30501 1
90 . 1 1 10 10 GLY CA C 13 44.840 0.044 . . . . . . B 820 GLY CA . 30501 1
91 . 1 1 10 10 GLY N N 15 115.002 0.020 . . . . . . B 820 GLY N . 30501 1
92 . 1 1 11 11 PHE H H 1 8.076 0.000 . . . . . . B 821 PHE H . 30501 1
93 . 1 1 11 11 PHE HA H 1 5.406 0.002 . . . . . . B 821 PHE HA . 30501 1
94 . 1 1 11 11 PHE HB2 H 1 2.470 0.004 . . . . . . B 821 PHE HB2 . 30501 1
95 . 1 1 11 11 PHE HB3 H 1 2.978 0.005 . . . . . . B 821 PHE HB3 . 30501 1
96 . 1 1 11 11 PHE HD1 H 1 6.904 0.000 . . . . . . B 821 PHE HD1 . 30501 1
97 . 1 1 11 11 PHE HD2 H 1 6.904 0.000 . . . . . . B 821 PHE HD2 . 30501 1
98 . 1 1 11 11 PHE HE1 H 1 7.220 0.000 . . . . . . B 821 PHE HE1 . 30501 1
99 . 1 1 11 11 PHE HE2 H 1 7.220 0.000 . . . . . . B 821 PHE HE2 . 30501 1
100 . 1 1 11 11 PHE CA C 13 57.401 0.060 . . . . . . B 821 PHE CA . 30501 1
101 . 1 1 11 11 PHE CB C 13 42.710 0.023 . . . . . . B 821 PHE CB . 30501 1
102 . 1 1 11 11 PHE N N 15 117.149 0.001 . . . . . . B 821 PHE N . 30501 1
103 . 1 1 12 12 LYS H H 1 8.731 0.001 . . . . . . B 822 LYS H . 30501 1
104 . 1 1 12 12 LYS HA H 1 5.286 0.000 . . . . . . B 822 LYS HA . 30501 1
105 . 1 1 12 12 LYS HB2 H 1 1.441 0.001 . . . . . . B 822 LYS HB2 . 30501 1
106 . 1 1 12 12 LYS HB3 H 1 1.313 0.001 . . . . . . B 822 LYS HB3 . 30501 1
107 . 1 1 12 12 LYS HG2 H 1 0.995 0.002 . . . . . . B 822 LYS HG2 . 30501 1
108 . 1 1 12 12 LYS HG3 H 1 1.110 0.001 . . . . . . B 822 LYS HG3 . 30501 1
109 . 1 1 12 12 LYS HD2 H 1 1.508 0.000 . . . . . . B 822 LYS HD2 . 30501 1
110 . 1 1 12 12 LYS HE2 H 1 2.923 0.001 . . . . . . B 822 LYS HE2 . 30501 1
111 . 1 1 12 12 LYS CA C 13 52.328 0.009 . . . . . . B 822 LYS CA . 30501 1
112 . 1 1 12 12 LYS CB C 13 38.199 0.011 . . . . . . B 822 LYS CB . 30501 1
113 . 1 1 12 12 LYS CG C 13 23.933 0.025 . . . . . . B 822 LYS CG . 30501 1
114 . 1 1 12 12 LYS CD C 13 29.931 0.075 . . . . . . B 822 LYS CD . 30501 1
115 . 1 1 12 12 LYS CE C 13 41.843 0.012 . . . . . . B 822 LYS CE . 30501 1
116 . 1 1 12 12 LYS N N 15 121.509 0.016 . . . . . . B 822 LYS N . 30501 1
117 . 1 1 13 13 CYS H H 1 8.558 0.000 . . . . . . B 823 CYS H . 30501 1
118 . 1 1 13 13 CYS HA H 1 4.424 0.000 . . . . . . B 823 CYS HA . 30501 1
119 . 1 1 13 13 CYS HB2 H 1 3.406 0.002 . . . . . . B 823 CYS HB2 . 30501 1
120 . 1 1 13 13 CYS HB3 H 1 2.761 0.002 . . . . . . B 823 CYS HB3 . 30501 1
121 . 1 1 13 13 CYS CA C 13 58.907 0.007 . . . . . . B 823 CYS CA . 30501 1
122 . 1 1 13 13 CYS CB C 13 31.573 0.026 . . . . . . B 823 CYS CB . 30501 1
123 . 1 1 13 13 CYS N N 15 125.961 0.002 . . . . . . B 823 CYS N . 30501 1
124 . 1 1 14 14 ASP H H 1 9.544 0.000 . . . . . . B 824 ASP H . 30501 1
125 . 1 1 14 14 ASP HA H 1 4.323 0.000 . . . . . . B 824 ASP HA . 30501 1
126 . 1 1 14 14 ASP HB2 H 1 1.860 0.000 . . . . . . B 824 ASP HB2 . 30501 1
127 . 1 1 14 14 ASP HB3 H 1 2.359 0.000 . . . . . . B 824 ASP HB3 . 30501 1
128 . 1 1 14 14 ASP CA C 13 57.909 0.004 . . . . . . B 824 ASP CA . 30501 1
129 . 1 1 14 14 ASP CB C 13 42.997 0.034 . . . . . . B 824 ASP CB . 30501 1
130 . 1 1 14 14 ASP N N 15 131.076 0.001 . . . . . . B 824 ASP N . 30501 1
131 . 1 1 15 15 ASN H H 1 9.275 0.002 . . . . . . B 825 ASN H . 30501 1
132 . 1 1 15 15 ASN HA H 1 4.963 0.001 . . . . . . B 825 ASN HA . 30501 1
133 . 1 1 15 15 ASN HB2 H 1 3.716 0.005 . . . . . . B 825 ASN HB2 . 30501 1
134 . 1 1 15 15 ASN HB3 H 1 2.525 0.001 . . . . . . B 825 ASN HB3 . 30501 1
135 . 1 1 15 15 ASN HD21 H 1 7.130 0.000 . . . . . . B 825 ASN HD21 . 30501 1
136 . 1 1 15 15 ASN HD22 H 1 8.945 0.000 . . . . . . B 825 ASN HD22 . 30501 1
137 . 1 1 15 15 ASN CA C 13 55.979 0.018 . . . . . . B 825 ASN CA . 30501 1
138 . 1 1 15 15 ASN CB C 13 40.667 0.018 . . . . . . B 825 ASN CB . 30501 1
139 . 1 1 15 15 ASN N N 15 118.025 0.016 . . . . . . B 825 ASN N . 30501 1
140 . 1 1 15 15 ASN ND2 N 15 118.255 0.007 . . . . . . B 825 ASN ND2 . 30501 1
141 . 1 1 16 16 CYS H H 1 8.648 0.001 . . . . . . B 826 CYS H . 30501 1
142 . 1 1 16 16 CYS HA H 1 4.840 0.001 . . . . . . B 826 CYS HA . 30501 1
143 . 1 1 16 16 CYS HB2 H 1 3.256 0.002 . . . . . . B 826 CYS HB2 . 30501 1
144 . 1 1 16 16 CYS HB3 H 1 2.712 0.002 . . . . . . B 826 CYS HB3 . 30501 1
145 . 1 1 16 16 CYS CA C 13 59.773 0.013 . . . . . . B 826 CYS CA . 30501 1
146 . 1 1 16 16 CYS CB C 13 32.465 0.010 . . . . . . B 826 CYS CB . 30501 1
147 . 1 1 16 16 CYS N N 15 118.759 0.015 . . . . . . B 826 CYS N . 30501 1
148 . 1 1 17 17 GLY H H 1 7.657 0.000 . . . . . . B 827 GLY H . 30501 1
149 . 1 1 17 17 GLY HA2 H 1 3.854 0.002 . . . . . . B 827 GLY HA2 . 30501 1
150 . 1 1 17 17 GLY HA3 H 1 4.211 0.002 . . . . . . B 827 GLY HA3 . 30501 1
151 . 1 1 17 17 GLY CA C 13 46.174 0.027 . . . . . . B 827 GLY CA . 30501 1
152 . 1 1 17 17 GLY N N 15 111.854 0.002 . . . . . . B 827 GLY N . 30501 1
153 . 1 1 18 18 ILE H H 1 8.569 0.001 . . . . . . B 828 ILE H . 30501 1
154 . 1 1 18 18 ILE HA H 1 4.120 0.000 . . . . . . B 828 ILE HA . 30501 1
155 . 1 1 18 18 ILE HB H 1 2.079 0.002 . . . . . . B 828 ILE HB . 30501 1
156 . 1 1 18 18 ILE HG12 H 1 1.501 0.002 . . . . . . B 828 ILE HG12 . 30501 1
157 . 1 1 18 18 ILE HG13 H 1 1.325 0.001 . . . . . . B 828 ILE HG13 . 30501 1
158 . 1 1 18 18 ILE HG21 H 1 0.964 0.002 . . . . . . B 828 ILE HG21 . 30501 1
159 . 1 1 18 18 ILE HG22 H 1 0.964 0.002 . . . . . . B 828 ILE HG22 . 30501 1
160 . 1 1 18 18 ILE HG23 H 1 0.964 0.002 . . . . . . B 828 ILE HG23 . 30501 1
161 . 1 1 18 18 ILE HD11 H 1 1.016 0.002 . . . . . . B 828 ILE HD11 . 30501 1
162 . 1 1 18 18 ILE HD12 H 1 1.016 0.002 . . . . . . B 828 ILE HD12 . 30501 1
163 . 1 1 18 18 ILE HD13 H 1 1.016 0.002 . . . . . . B 828 ILE HD13 . 30501 1
164 . 1 1 18 18 ILE CA C 13 62.839 0.000 . . . . . . B 828 ILE CA . 30501 1
165 . 1 1 18 18 ILE CB C 13 38.449 0.015 . . . . . . B 828 ILE CB . 30501 1
166 . 1 1 18 18 ILE CG1 C 13 29.587 0.013 . . . . . . B 828 ILE CG1 . 30501 1
167 . 1 1 18 18 ILE CG2 C 13 18.529 0.016 . . . . . . B 828 ILE CG2 . 30501 1
168 . 1 1 18 18 ILE CD1 C 13 14.420 0.000 . . . . . . B 828 ILE CD1 . 30501 1
169 . 1 1 18 18 ILE N N 15 125.171 0.025 . . . . . . B 828 ILE N . 30501 1
170 . 1 1 19 19 GLU H H 1 7.656 0.001 . . . . . . B 829 GLU H . 30501 1
171 . 1 1 19 19 GLU HA H 1 4.820 0.002 . . . . . . B 829 GLU HA . 30501 1
172 . 1 1 19 19 GLU HB2 H 1 1.772 0.000 . . . . . . B 829 GLU HB2 . 30501 1
173 . 1 1 19 19 GLU HB3 H 1 1.883 0.000 . . . . . . B 829 GLU HB3 . 30501 1
174 . 1 1 19 19 GLU CA C 13 53.118 0.009 . . . . . . B 829 GLU CA . 30501 1
175 . 1 1 19 19 GLU CB C 13 33.211 0.032 . . . . . . B 829 GLU CB . 30501 1
176 . 1 1 19 19 GLU N N 15 123.081 0.024 . . . . . . B 829 GLU N . 30501 1
177 . 1 1 20 20 PRO HA H 1 5.206 0.002 . . . . . . B 830 PRO HA . 30501 1
178 . 1 1 20 20 PRO HB2 H 1 2.007 0.000 . . . . . . B 830 PRO HB2 . 30501 1
179 . 1 1 20 20 PRO HB3 H 1 2.200 0.000 . . . . . . B 830 PRO HB3 . 30501 1
180 . 1 1 20 20 PRO HG2 H 1 2.438 0.000 . . . . . . B 830 PRO HG2 . 30501 1
181 . 1 1 20 20 PRO HG3 H 1 1.800 0.006 . . . . . . B 830 PRO HG3 . 30501 1
182 . 1 1 20 20 PRO HD2 H 1 3.718 0.000 . . . . . . B 830 PRO HD2 . 30501 1
183 . 1 1 20 20 PRO HD3 H 1 3.544 0.006 . . . . . . B 830 PRO HD3 . 30501 1
184 . 1 1 20 20 PRO CA C 13 62.522 0.016 . . . . . . B 830 PRO CA . 30501 1
185 . 1 1 20 20 PRO CB C 13 34.653 0.024 . . . . . . B 830 PRO CB . 30501 1
186 . 1 1 20 20 PRO CG C 13 34.186 0.010 . . . . . . B 830 PRO CG . 30501 1
187 . 1 1 20 20 PRO CD C 13 49.869 0.004 . . . . . . B 830 PRO CD . 30501 1
188 . 1 1 21 21 ILE H H 1 6.899 0.002 . . . . . . B 831 ILE H . 30501 1
189 . 1 1 21 21 ILE HA H 1 3.749 0.002 . . . . . . B 831 ILE HA . 30501 1
190 . 1 1 21 21 ILE HB H 1 1.201 0.003 . . . . . . B 831 ILE HB . 30501 1
191 . 1 1 21 21 ILE HG12 H 1 0.701 0.004 . . . . . . B 831 ILE HG12 . 30501 1
192 . 1 1 21 21 ILE HG13 H 1 1.778 0.002 . . . . . . B 831 ILE HG13 . 30501 1
193 . 1 1 21 21 ILE HG21 H 1 0.668 0.006 . . . . . . B 831 ILE HG21 . 30501 1
194 . 1 1 21 21 ILE HG22 H 1 0.668 0.006 . . . . . . B 831 ILE HG22 . 30501 1
195 . 1 1 21 21 ILE HG23 H 1 0.668 0.006 . . . . . . B 831 ILE HG23 . 30501 1
196 . 1 1 21 21 ILE HD11 H 1 0.364 0.002 . . . . . . B 831 ILE HD11 . 30501 1
197 . 1 1 21 21 ILE HD12 H 1 0.364 0.002 . . . . . . B 831 ILE HD12 . 30501 1
198 . 1 1 21 21 ILE HD13 H 1 0.364 0.002 . . . . . . B 831 ILE HD13 . 30501 1
199 . 1 1 21 21 ILE CA C 13 63.968 0.001 . . . . . . B 831 ILE CA . 30501 1
200 . 1 1 21 21 ILE CB C 13 40.387 0.000 . . . . . . B 831 ILE CB . 30501 1
201 . 1 1 21 21 ILE CG1 C 13 29.871 0.022 . . . . . . B 831 ILE CG1 . 30501 1
202 . 1 1 21 21 ILE CG2 C 13 17.672 0.004 . . . . . . B 831 ILE CG2 . 30501 1
203 . 1 1 21 21 ILE CD1 C 13 14.026 0.003 . . . . . . B 831 ILE CD1 . 30501 1
204 . 1 1 21 21 ILE N N 15 120.078 0.044 . . . . . . B 831 ILE N . 30501 1
205 . 1 1 22 22 GLN H H 1 8.701 0.002 . . . . . . B 832 GLN H . 30501 1
206 . 1 1 22 22 GLN HA H 1 5.228 0.003 . . . . . . B 832 GLN HA . 30501 1
207 . 1 1 22 22 GLN HB2 H 1 2.045 0.002 . . . . . . B 832 GLN HB2 . 30501 1
208 . 1 1 22 22 GLN HB3 H 1 2.116 0.004 . . . . . . B 832 GLN HB3 . 30501 1
209 . 1 1 22 22 GLN HG2 H 1 2.370 0.001 . . . . . . B 832 GLN HG2 . 30501 1
210 . 1 1 22 22 GLN HG3 H 1 2.218 0.001 . . . . . . B 832 GLN HG3 . 30501 1
211 . 1 1 22 22 GLN HE21 H 1 7.644 0.001 . . . . . . B 832 GLN HE21 . 30501 1
212 . 1 1 22 22 GLN HE22 H 1 6.892 0.001 . . . . . . B 832 GLN HE22 . 30501 1
213 . 1 1 22 22 GLN CA C 13 54.482 0.018 . . . . . . B 832 GLN CA . 30501 1
214 . 1 1 22 22 GLN CB C 13 30.926 0.009 . . . . . . B 832 GLN CB . 30501 1
215 . 1 1 22 22 GLN CG C 13 34.248 0.000 . . . . . . B 832 GLN CG . 30501 1
216 . 1 1 22 22 GLN N N 15 129.022 0.014 . . . . . . B 832 GLN N . 30501 1
217 . 1 1 22 22 GLN NE2 N 15 112.077 0.024 . . . . . . B 832 GLN NE2 . 30501 1
218 . 1 1 23 23 GLY H H 1 9.285 0.002 . . . . . . B 833 GLY H . 30501 1
219 . 1 1 23 23 GLY HA2 H 1 3.768 0.003 . . . . . . B 833 GLY HA2 . 30501 1
220 . 1 1 23 23 GLY HA3 H 1 4.489 0.003 . . . . . . B 833 GLY HA3 . 30501 1
221 . 1 1 23 23 GLY CA C 13 45.056 0.021 . . . . . . B 833 GLY CA . 30501 1
222 . 1 1 23 23 GLY N N 15 114.999 0.026 . . . . . . B 833 GLY N . 30501 1
223 . 1 1 24 24 VAL H H 1 8.436 0.001 . . . . . . B 834 VAL H . 30501 1
224 . 1 1 24 24 VAL HA H 1 3.657 0.002 . . . . . . B 834 VAL HA . 30501 1
225 . 1 1 24 24 VAL HB H 1 1.891 0.003 . . . . . . B 834 VAL HB . 30501 1
226 . 1 1 24 24 VAL HG11 H 1 0.580 0.003 . . . . . . B 834 VAL HG11 . 30501 1
227 . 1 1 24 24 VAL HG12 H 1 0.580 0.003 . . . . . . B 834 VAL HG12 . 30501 1
228 . 1 1 24 24 VAL HG13 H 1 0.580 0.003 . . . . . . B 834 VAL HG13 . 30501 1
229 . 1 1 24 24 VAL HG21 H 1 0.028 0.002 . . . . . . B 834 VAL HG21 . 30501 1
230 . 1 1 24 24 VAL HG22 H 1 0.028 0.002 . . . . . . B 834 VAL HG22 . 30501 1
231 . 1 1 24 24 VAL HG23 H 1 0.028 0.002 . . . . . . B 834 VAL HG23 . 30501 1
232 . 1 1 24 24 VAL CA C 13 63.083 0.000 . . . . . . B 834 VAL CA . 30501 1
233 . 1 1 24 24 VAL CB C 13 32.536 0.000 . . . . . . B 834 VAL CB . 30501 1
234 . 1 1 24 24 VAL CG1 C 13 22.441 0.005 . . . . . . B 834 VAL CG1 . 30501 1
235 . 1 1 24 24 VAL CG2 C 13 20.488 0.021 . . . . . . B 834 VAL CG2 . 30501 1
236 . 1 1 24 24 VAL N N 15 126.420 0.027 . . . . . . B 834 VAL N . 30501 1
237 . 1 1 25 25 ARG H H 1 7.679 0.002 . . . . . . B 835 ARG H . 30501 1
238 . 1 1 25 25 ARG HA H 1 4.340 0.002 . . . . . . B 835 ARG HA . 30501 1
239 . 1 1 25 25 ARG HB2 H 1 -0.382 0.008 . . . . . . B 835 ARG HB2 . 30501 1
240 . 1 1 25 25 ARG HB3 H 1 1.020 0.005 . . . . . . B 835 ARG HB3 . 30501 1
241 . 1 1 25 25 ARG CA C 13 53.440 0.024 . . . . . . B 835 ARG CA . 30501 1
242 . 1 1 25 25 ARG CB C 13 30.436 0.044 . . . . . . B 835 ARG CB . 30501 1
243 . 1 1 25 25 ARG N N 15 126.473 0.008 . . . . . . B 835 ARG N . 30501 1
244 . 1 1 26 26 TRP H H 1 9.353 0.001 . . . . . . B 836 TRP H . 30501 1
245 . 1 1 26 26 TRP HA H 1 4.746 0.002 . . . . . . B 836 TRP HA . 30501 1
246 . 1 1 26 26 TRP HB2 H 1 3.175 0.004 . . . . . . B 836 TRP HB2 . 30501 1
247 . 1 1 26 26 TRP HB3 H 1 3.018 0.003 . . . . . . B 836 TRP HB3 . 30501 1
248 . 1 1 26 26 TRP HE1 H 1 11.038 0.001 . . . . . . B 836 TRP HE1 . 30501 1
249 . 1 1 26 26 TRP CA C 13 56.082 0.012 . . . . . . B 836 TRP CA . 30501 1
250 . 1 1 26 26 TRP CB C 13 30.920 0.000 . . . . . . B 836 TRP CB . 30501 1
251 . 1 1 26 26 TRP N N 15 128.923 0.012 . . . . . . B 836 TRP N . 30501 1
252 . 1 1 26 26 TRP NE1 N 15 131.938 0.017 . . . . . . B 836 TRP NE1 . 30501 1
253 . 1 1 27 27 HIS H H 1 9.267 0.001 . . . . . . B 837 HIS H . 30501 1
254 . 1 1 27 27 HIS HA H 1 5.557 0.002 . . . . . . B 837 HIS HA . 30501 1
255 . 1 1 27 27 HIS HB2 H 1 3.023 0.001 . . . . . . B 837 HIS HB2 . 30501 1
256 . 1 1 27 27 HIS HB3 H 1 2.642 0.001 . . . . . . B 837 HIS HB3 . 30501 1
257 . 1 1 27 27 HIS HD2 H 1 7.283 0.000 . . . . . . B 837 HIS HD2 . 30501 1
258 . 1 1 27 27 HIS CA C 13 53.743 0.000 . . . . . . B 837 HIS CA . 30501 1
259 . 1 1 27 27 HIS CB C 13 32.452 0.000 . . . . . . B 837 HIS CB . 30501 1
260 . 1 1 27 27 HIS N N 15 124.515 0.006 . . . . . . B 837 HIS N . 30501 1
261 . 1 1 28 28 CYS H H 1 8.462 0.002 . . . . . . B 838 CYS H . 30501 1
262 . 1 1 28 28 CYS HA H 1 4.599 0.001 . . . . . . B 838 CYS HA . 30501 1
263 . 1 1 28 28 CYS HB2 H 1 3.143 0.003 . . . . . . B 838 CYS HB2 . 30501 1
264 . 1 1 28 28 CYS HB3 H 1 2.458 0.001 . . . . . . B 838 CYS HB3 . 30501 1
265 . 1 1 28 28 CYS CA C 13 61.517 0.031 . . . . . . B 838 CYS CA . 30501 1
266 . 1 1 28 28 CYS CB C 13 29.693 0.023 . . . . . . B 838 CYS CB . 30501 1
267 . 1 1 28 28 CYS N N 15 128.732 0.011 . . . . . . B 838 CYS N . 30501 1
268 . 1 1 29 29 GLN H H 1 9.144 0.001 . . . . . . B 839 GLN H . 30501 1
269 . 1 1 29 29 GLN HA H 1 4.470 0.002 . . . . . . B 839 GLN HA . 30501 1
270 . 1 1 29 29 GLN HB2 H 1 2.180 0.002 . . . . . . B 839 GLN HB2 . 30501 1
271 . 1 1 29 29 GLN HB3 H 1 2.051 0.003 . . . . . . B 839 GLN HB3 . 30501 1
272 . 1 1 29 29 GLN HG2 H 1 2.461 0.000 . . . . . . B 839 GLN HG2 . 30501 1
273 . 1 1 29 29 GLN HG3 H 1 2.422 0.001 . . . . . . B 839 GLN HG3 . 30501 1
274 . 1 1 29 29 GLN HE21 H 1 6.842 0.000 . . . . . . B 839 GLN HE21 . 30501 1
275 . 1 1 29 29 GLN HE22 H 1 7.451 0.000 . . . . . . B 839 GLN HE22 . 30501 1
276 . 1 1 29 29 GLN CA C 13 56.970 0.002 . . . . . . B 839 GLN CA . 30501 1
277 . 1 1 29 29 GLN CB C 13 30.992 0.005 . . . . . . B 839 GLN CB . 30501 1
278 . 1 1 29 29 GLN CG C 13 34.308 0.010 . . . . . . B 839 GLN CG . 30501 1
279 . 1 1 29 29 GLN N N 15 127.253 0.005 . . . . . . B 839 GLN N . 30501 1
280 . 1 1 29 29 GLN NE2 N 15 111.708 0.001 . . . . . . B 839 GLN NE2 . 30501 1
281 . 1 1 30 30 ASP H H 1 8.903 0.001 . . . . . . B 840 ASP H . 30501 1
282 . 1 1 30 30 ASP HA H 1 4.703 0.001 . . . . . . B 840 ASP HA . 30501 1
283 . 1 1 30 30 ASP HB2 H 1 1.848 0.003 . . . . . . B 840 ASP HB2 . 30501 1
284 . 1 1 30 30 ASP HB3 H 1 1.247 0.004 . . . . . . B 840 ASP HB3 . 30501 1
285 . 1 1 30 30 ASP CA C 13 55.739 0.010 . . . . . . B 840 ASP CA . 30501 1
286 . 1 1 30 30 ASP CB C 13 43.641 0.018 . . . . . . B 840 ASP CB . 30501 1
287 . 1 1 30 30 ASP N N 15 122.450 0.002 . . . . . . B 840 ASP N . 30501 1
288 . 1 1 31 31 CYS H H 1 7.725 0.001 . . . . . . B 841 CYS H . 30501 1
289 . 1 1 31 31 CYS HA H 1 4.410 0.001 . . . . . . B 841 CYS HA . 30501 1
290 . 1 1 31 31 CYS HB2 H 1 2.852 0.001 . . . . . . B 841 CYS HB2 . 30501 1
291 . 1 1 31 31 CYS HB3 H 1 2.747 0.001 . . . . . . B 841 CYS HB3 . 30501 1
292 . 1 1 31 31 CYS CA C 13 64.870 0.000 . . . . . . B 841 CYS CA . 30501 1
293 . 1 1 31 31 CYS CB C 13 29.203 0.002 . . . . . . B 841 CYS CB . 30501 1
294 . 1 1 31 31 CYS N N 15 126.327 0.007 . . . . . . B 841 CYS N . 30501 1
295 . 1 1 32 32 PRO HG2 H 1 2.174 0.002 . . . . . . B 842 PRO HG2 . 30501 1
296 . 1 1 32 32 PRO HG3 H 1 2.106 0.000 . . . . . . B 842 PRO HG3 . 30501 1
297 . 1 1 32 32 PRO HD2 H 1 3.923 0.000 . . . . . . B 842 PRO HD2 . 30501 1
298 . 1 1 32 32 PRO HD3 H 1 3.672 0.000 . . . . . . B 842 PRO HD3 . 30501 1
299 . 1 1 32 32 PRO CG C 13 27.898 0.015 . . . . . . B 842 PRO CG . 30501 1
300 . 1 1 32 32 PRO CD C 13 50.915 0.002 . . . . . . B 842 PRO CD . 30501 1
301 . 1 1 33 33 PRO HA H 1 4.354 0.001 . . . . . . B 843 PRO HA . 30501 1
302 . 1 1 33 33 PRO HB2 H 1 2.402 0.008 . . . . . . B 843 PRO HB2 . 30501 1
303 . 1 1 33 33 PRO HB3 H 1 2.017 0.003 . . . . . . B 843 PRO HB3 . 30501 1
304 . 1 1 33 33 PRO HG2 H 1 2.100 0.001 . . . . . . B 843 PRO HG2 . 30501 1
305 . 1 1 33 33 PRO HD2 H 1 3.806 0.000 . . . . . . B 843 PRO HD2 . 30501 1
306 . 1 1 33 33 PRO CA C 13 65.096 0.003 . . . . . . B 843 PRO CA . 30501 1
307 . 1 1 33 33 PRO CB C 13 31.961 0.013 . . . . . . B 843 PRO CB . 30501 1
308 . 1 1 33 33 PRO CG C 13 27.484 0.000 . . . . . . B 843 PRO CG . 30501 1
309 . 1 1 33 33 PRO CD C 13 50.694 0.000 . . . . . . B 843 PRO CD . 30501 1
310 . 1 1 34 34 GLU H H 1 9.086 0.001 . . . . . . B 844 GLU H . 30501 1
311 . 1 1 34 34 GLU HA H 1 4.227 0.001 . . . . . . B 844 GLU HA . 30501 1
312 . 1 1 34 34 GLU HB2 H 1 2.093 0.000 . . . . . . B 844 GLU HB2 . 30501 1
313 . 1 1 34 34 GLU HB3 H 1 2.046 0.004 . . . . . . B 844 GLU HB3 . 30501 1
314 . 1 1 34 34 GLU HG2 H 1 2.272 0.001 . . . . . . B 844 GLU HG2 . 30501 1
315 . 1 1 34 34 GLU HG3 H 1 2.308 0.000 . . . . . . B 844 GLU HG3 . 30501 1
316 . 1 1 34 34 GLU CA C 13 58.267 0.004 . . . . . . B 844 GLU CA . 30501 1
317 . 1 1 34 34 GLU CB C 13 28.524 0.004 . . . . . . B 844 GLU CB . 30501 1
318 . 1 1 34 34 GLU CG C 13 36.350 0.026 . . . . . . B 844 GLU CG . 30501 1
319 . 1 1 34 34 GLU N N 15 116.776 0.006 . . . . . . B 844 GLU N . 30501 1
320 . 1 1 35 35 MET H H 1 8.159 0.000 . . . . . . B 845 MET H . 30501 1
321 . 1 1 35 35 MET HA H 1 4.701 0.001 . . . . . . B 845 MET HA . 30501 1
322 . 1 1 35 35 MET HB2 H 1 2.106 0.000 . . . . . . B 845 MET HB2 . 30501 1
323 . 1 1 35 35 MET HB3 H 1 1.909 0.000 . . . . . . B 845 MET HB3 . 30501 1
324 . 1 1 35 35 MET HG2 H 1 2.428 0.002 . . . . . . B 845 MET HG2 . 30501 1
325 . 1 1 35 35 MET HG3 H 1 2.532 0.002 . . . . . . B 845 MET HG3 . 30501 1
326 . 1 1 35 35 MET HE1 H 1 2.146 0.003 . . . . . . B 845 MET HE1 . 30501 1
327 . 1 1 35 35 MET HE2 H 1 2.146 0.003 . . . . . . B 845 MET HE2 . 30501 1
328 . 1 1 35 35 MET HE3 H 1 2.146 0.003 . . . . . . B 845 MET HE3 . 30501 1
329 . 1 1 35 35 MET CA C 13 53.942 0.009 . . . . . . B 845 MET CA . 30501 1
330 . 1 1 35 35 MET CB C 13 34.542 0.000 . . . . . . B 845 MET CB . 30501 1
331 . 1 1 35 35 MET CG C 13 32.217 0.000 . . . . . . B 845 MET CG . 30501 1
332 . 1 1 35 35 MET CE C 13 17.399 0.000 . . . . . . B 845 MET CE . 30501 1
333 . 1 1 35 35 MET N N 15 120.182 0.003 . . . . . . B 845 MET N . 30501 1
334 . 1 1 36 36 SER H H 1 7.948 0.003 . . . . . . B 846 SER H . 30501 1
335 . 1 1 36 36 SER HA H 1 4.340 0.003 . . . . . . B 846 SER HA . 30501 1
336 . 1 1 36 36 SER HB2 H 1 4.030 0.001 . . . . . . B 846 SER HB2 . 30501 1
337 . 1 1 36 36 SER HB3 H 1 3.622 0.001 . . . . . . B 846 SER HB3 . 30501 1
338 . 1 1 36 36 SER CA C 13 58.436 0.000 . . . . . . B 846 SER CA . 30501 1
339 . 1 1 36 36 SER CB C 13 63.936 0.062 . . . . . . B 846 SER CB . 30501 1
340 . 1 1 36 36 SER N N 15 115.144 0.025 . . . . . . B 846 SER N . 30501 1
341 . 1 1 37 37 LEU H H 1 8.613 0.004 . . . . . . B 847 LEU H . 30501 1
342 . 1 1 37 37 LEU HA H 1 4.666 0.000 . . . . . . B 847 LEU HA . 30501 1
343 . 1 1 37 37 LEU HB2 H 1 1.198 0.003 . . . . . . B 847 LEU HB2 . 30501 1
344 . 1 1 37 37 LEU HB3 H 1 1.365 0.003 . . . . . . B 847 LEU HB3 . 30501 1
345 . 1 1 37 37 LEU HG H 1 1.383 0.002 . . . . . . B 847 LEU HG . 30501 1
346 . 1 1 37 37 LEU HD11 H 1 0.560 0.001 . . . . . . B 847 LEU HD11 . 30501 1
347 . 1 1 37 37 LEU HD12 H 1 0.560 0.001 . . . . . . B 847 LEU HD12 . 30501 1
348 . 1 1 37 37 LEU HD13 H 1 0.560 0.001 . . . . . . B 847 LEU HD13 . 30501 1
349 . 1 1 37 37 LEU HD21 H 1 0.365 0.000 . . . . . . B 847 LEU HD21 . 30501 1
350 . 1 1 37 37 LEU HD22 H 1 0.365 0.000 . . . . . . B 847 LEU HD22 . 30501 1
351 . 1 1 37 37 LEU HD23 H 1 0.365 0.000 . . . . . . B 847 LEU HD23 . 30501 1
352 . 1 1 37 37 LEU CA C 13 52.020 0.003 . . . . . . B 847 LEU CA . 30501 1
353 . 1 1 37 37 LEU CB C 13 42.029 0.008 . . . . . . B 847 LEU CB . 30501 1
354 . 1 1 37 37 LEU CG C 13 27.379 0.000 . . . . . . B 847 LEU CG . 30501 1
355 . 1 1 37 37 LEU CD1 C 13 23.137 0.058 . . . . . . B 847 LEU CD1 . 30501 1
356 . 1 1 37 37 LEU CD2 C 13 23.574 0.004 . . . . . . B 847 LEU CD2 . 30501 1
357 . 1 1 37 37 LEU N N 15 134.763 0.012 . . . . . . B 847 LEU N . 30501 1
358 . 1 1 38 38 ASP H H 1 8.813 0.000 . . . . . . B 848 ASP H . 30501 1
359 . 1 1 38 38 ASP HA H 1 5.733 0.000 . . . . . . B 848 ASP HA . 30501 1
360 . 1 1 38 38 ASP HB2 H 1 2.106 0.003 . . . . . . B 848 ASP HB2 . 30501 1
361 . 1 1 38 38 ASP HB3 H 1 1.867 0.002 . . . . . . B 848 ASP HB3 . 30501 1
362 . 1 1 38 38 ASP CA C 13 51.991 0.000 . . . . . . B 848 ASP CA . 30501 1
363 . 1 1 38 38 ASP CB C 13 46.874 0.018 . . . . . . B 848 ASP CB . 30501 1
364 . 1 1 38 38 ASP N N 15 120.409 0.001 . . . . . . B 848 ASP N . 30501 1
365 . 1 1 39 39 PHE H H 1 9.514 0.001 . . . . . . B 849 PHE H . 30501 1
366 . 1 1 39 39 PHE HA H 1 6.368 0.003 . . . . . . B 849 PHE HA . 30501 1
367 . 1 1 39 39 PHE HB2 H 1 3.194 0.004 . . . . . . B 849 PHE HB2 . 30501 1
368 . 1 1 39 39 PHE HB3 H 1 2.525 0.001 . . . . . . B 849 PHE HB3 . 30501 1
369 . 1 1 39 39 PHE HD1 H 1 7.125 0.002 . . . . . . B 849 PHE HD1 . 30501 1
370 . 1 1 39 39 PHE HD2 H 1 7.125 0.002 . . . . . . B 849 PHE HD2 . 30501 1
371 . 1 1 39 39 PHE HE1 H 1 6.665 0.000 . . . . . . B 849 PHE HE1 . 30501 1
372 . 1 1 39 39 PHE HE2 H 1 6.665 0.000 . . . . . . B 849 PHE HE2 . 30501 1
373 . 1 1 39 39 PHE CA C 13 54.818 0.022 . . . . . . B 849 PHE CA . 30501 1
374 . 1 1 39 39 PHE CB C 13 43.446 0.001 . . . . . . B 849 PHE CB . 30501 1
375 . 1 1 39 39 PHE N N 15 117.853 0.010 . . . . . . B 849 PHE N . 30501 1
376 . 1 1 40 40 CYS H H 1 9.314 0.001 . . . . . . B 850 CYS H . 30501 1
377 . 1 1 40 40 CYS HA H 1 5.025 0.002 . . . . . . B 850 CYS HA . 30501 1
378 . 1 1 40 40 CYS HB2 H 1 3.678 0.000 . . . . . . B 850 CYS HB2 . 30501 1
379 . 1 1 40 40 CYS HB3 H 1 2.834 0.003 . . . . . . B 850 CYS HB3 . 30501 1
380 . 1 1 40 40 CYS CA C 13 57.638 0.039 . . . . . . B 850 CYS CA . 30501 1
381 . 1 1 40 40 CYS CB C 13 31.922 0.010 . . . . . . B 850 CYS CB . 30501 1
382 . 1 1 40 40 CYS N N 15 121.373 0.007 . . . . . . B 850 CYS N . 30501 1
383 . 1 1 41 41 ASP H H 1 9.623 0.000 . . . . . . B 851 ASP H . 30501 1
384 . 1 1 41 41 ASP HA H 1 4.586 0.002 . . . . . . B 851 ASP HA . 30501 1
385 . 1 1 41 41 ASP HB2 H 1 3.149 0.000 . . . . . . B 851 ASP HB2 . 30501 1
386 . 1 1 41 41 ASP HB3 H 1 2.858 0.002 . . . . . . B 851 ASP HB3 . 30501 1
387 . 1 1 41 41 ASP CA C 13 58.515 0.019 . . . . . . B 851 ASP CA . 30501 1
388 . 1 1 41 41 ASP CB C 13 42.722 0.009 . . . . . . B 851 ASP CB . 30501 1
389 . 1 1 41 41 ASP N N 15 119.436 0.013 . . . . . . B 851 ASP N . 30501 1
390 . 1 1 42 42 SER H H 1 8.636 0.002 . . . . . . B 852 SER H . 30501 1
391 . 1 1 42 42 SER HA H 1 4.336 0.002 . . . . . . B 852 SER HA . 30501 1
392 . 1 1 42 42 SER HB2 H 1 4.154 0.001 . . . . . . B 852 SER HB2 . 30501 1
393 . 1 1 42 42 SER HB3 H 1 4.039 0.002 . . . . . . B 852 SER HB3 . 30501 1
394 . 1 1 42 42 SER CA C 13 61.479 0.059 . . . . . . B 852 SER CA . 30501 1
395 . 1 1 42 42 SER CB C 13 63.174 0.000 . . . . . . B 852 SER CB . 30501 1
396 . 1 1 42 42 SER N N 15 115.166 0.004 . . . . . . B 852 SER N . 30501 1
397 . 1 1 43 43 CYS H H 1 8.100 0.000 . . . . . . B 853 CYS H . 30501 1
398 . 1 1 43 43 CYS HA H 1 4.293 0.002 . . . . . . B 853 CYS HA . 30501 1
399 . 1 1 43 43 CYS HB2 H 1 3.051 0.000 . . . . . . B 853 CYS HB2 . 30501 1
400 . 1 1 43 43 CYS HB3 H 1 3.102 0.002 . . . . . . B 853 CYS HB3 . 30501 1
401 . 1 1 43 43 CYS CA C 13 61.323 0.015 . . . . . . B 853 CYS CA . 30501 1
402 . 1 1 43 43 CYS CB C 13 31.448 0.005 . . . . . . B 853 CYS CB . 30501 1
403 . 1 1 43 43 CYS N N 15 121.619 0.002 . . . . . . B 853 CYS N . 30501 1
404 . 1 1 44 44 SER H H 1 7.521 0.001 . . . . . . B 854 SER H . 30501 1
405 . 1 1 44 44 SER HA H 1 4.588 0.000 . . . . . . B 854 SER HA . 30501 1
406 . 1 1 44 44 SER HB2 H 1 3.227 0.002 . . . . . . B 854 SER HB2 . 30501 1
407 . 1 1 44 44 SER HB3 H 1 2.428 0.000 . . . . . . B 854 SER HB3 . 30501 1
408 . 1 1 44 44 SER CA C 13 58.509 0.006 . . . . . . B 854 SER CA . 30501 1
409 . 1 1 44 44 SER CB C 13 62.159 0.002 . . . . . . B 854 SER CB . 30501 1
410 . 1 1 44 44 SER N N 15 116.176 0.017 . . . . . . B 854 SER N . 30501 1
411 . 1 1 45 45 ASP H H 1 7.617 0.000 . . . . . . B 855 ASP H . 30501 1
412 . 1 1 45 45 ASP HA H 1 4.581 0.004 . . . . . . B 855 ASP HA . 30501 1
413 . 1 1 45 45 ASP HB2 H 1 2.503 0.002 . . . . . . B 855 ASP HB2 . 30501 1
414 . 1 1 45 45 ASP CA C 13 52.955 0.056 . . . . . . B 855 ASP CA . 30501 1
415 . 1 1 45 45 ASP CB C 13 40.768 0.039 . . . . . . B 855 ASP CB . 30501 1
416 . 1 1 45 45 ASP N N 15 119.370 0.015 . . . . . . B 855 ASP N . 30501 1
417 . 1 1 46 46 CYS H H 1 7.308 0.001 . . . . . . B 856 CYS H . 30501 1
418 . 1 1 46 46 CYS HA H 1 4.274 0.001 . . . . . . B 856 CYS HA . 30501 1
419 . 1 1 46 46 CYS HB2 H 1 2.783 0.001 . . . . . . B 856 CYS HB2 . 30501 1
420 . 1 1 46 46 CYS HB3 H 1 2.669 0.002 . . . . . . B 856 CYS HB3 . 30501 1
421 . 1 1 46 46 CYS CA C 13 58.274 0.022 . . . . . . B 856 CYS CA . 30501 1
422 . 1 1 46 46 CYS CB C 13 28.592 0.010 . . . . . . B 856 CYS CB . 30501 1
423 . 1 1 46 46 CYS N N 15 117.642 0.016 . . . . . . B 856 CYS N . 30501 1
424 . 1 1 47 47 LEU H H 1 8.336 0.001 . . . . . . B 857 LEU H . 30501 1
425 . 1 1 47 47 LEU HA H 1 4.261 0.000 . . . . . . B 857 LEU HA . 30501 1
426 . 1 1 47 47 LEU HB2 H 1 1.642 0.001 . . . . . . B 857 LEU HB2 . 30501 1
427 . 1 1 47 47 LEU HB3 H 1 1.472 0.000 . . . . . . B 857 LEU HB3 . 30501 1
428 . 1 1 47 47 LEU HG H 1 1.472 0.000 . . . . . . B 857 LEU HG . 30501 1
429 . 1 1 47 47 LEU HD11 H 1 0.795 0.003 . . . . . . B 857 LEU HD11 . 30501 1
430 . 1 1 47 47 LEU HD12 H 1 0.795 0.003 . . . . . . B 857 LEU HD12 . 30501 1
431 . 1 1 47 47 LEU HD13 H 1 0.795 0.003 . . . . . . B 857 LEU HD13 . 30501 1
432 . 1 1 47 47 LEU CA C 13 54.871 0.001 . . . . . . B 857 LEU CA . 30501 1
433 . 1 1 47 47 LEU CB C 13 41.266 0.006 . . . . . . B 857 LEU CB . 30501 1
434 . 1 1 47 47 LEU CG C 13 27.102 0.000 . . . . . . B 857 LEU CG . 30501 1
435 . 1 1 47 47 LEU CD1 C 13 24.460 0.016 . . . . . . B 857 LEU CD1 . 30501 1
436 . 1 1 47 47 LEU N N 15 123.238 0.006 . . . . . . B 857 LEU N . 30501 1
437 . 1 1 48 48 HIS H H 1 8.508 0.002 . . . . . . B 858 HIS H . 30501 1
438 . 1 1 48 48 HIS HA H 1 4.600 0.001 . . . . . . B 858 HIS HA . 30501 1
439 . 1 1 48 48 HIS HB2 H 1 3.166 0.002 . . . . . . B 858 HIS HB2 . 30501 1
440 . 1 1 48 48 HIS HB3 H 1 2.989 0.002 . . . . . . B 858 HIS HB3 . 30501 1
441 . 1 1 48 48 HIS HD2 H 1 6.709 0.000 . . . . . . B 858 HIS HD2 . 30501 1
442 . 1 1 48 48 HIS CA C 13 56.081 0.011 . . . . . . B 858 HIS CA . 30501 1
443 . 1 1 48 48 HIS CB C 13 30.534 0.002 . . . . . . B 858 HIS CB . 30501 1
444 . 1 1 48 48 HIS N N 15 126.049 0.006 . . . . . . B 858 HIS N . 30501 1
445 . 1 1 49 49 GLU H H 1 8.255 0.001 . . . . . . B 859 GLU H . 30501 1
446 . 1 1 49 49 GLU HA H 1 4.654 0.000 . . . . . . B 859 GLU HA . 30501 1
447 . 1 1 49 49 GLU HB2 H 1 2.035 0.001 . . . . . . B 859 GLU HB2 . 30501 1
448 . 1 1 49 49 GLU HB3 H 1 1.886 0.000 . . . . . . B 859 GLU HB3 . 30501 1
449 . 1 1 49 49 GLU HG2 H 1 2.321 0.000 . . . . . . B 859 GLU HG2 . 30501 1
450 . 1 1 49 49 GLU HG3 H 1 1.991 0.001 . . . . . . B 859 GLU HG3 . 30501 1
451 . 1 1 49 49 GLU CA C 13 55.844 0.000 . . . . . . B 859 GLU CA . 30501 1
452 . 1 1 49 49 GLU CB C 13 32.464 0.000 . . . . . . B 859 GLU CB . 30501 1
453 . 1 1 49 49 GLU CG C 13 37.508 0.019 . . . . . . B 859 GLU CG . 30501 1
454 . 1 1 49 49 GLU N N 15 123.376 0.007 . . . . . . B 859 GLU N . 30501 1
455 . 1 1 50 50 THR H H 1 9.076 0.002 . . . . . . B 860 THR H . 30501 1
456 . 1 1 50 50 THR HA H 1 4.804 0.002 . . . . . . B 860 THR HA . 30501 1
457 . 1 1 50 50 THR HG21 H 1 1.201 0.000 . . . . . . B 860 THR HG21 . 30501 1
458 . 1 1 50 50 THR HG22 H 1 1.201 0.000 . . . . . . B 860 THR HG22 . 30501 1
459 . 1 1 50 50 THR HG23 H 1 1.201 0.000 . . . . . . B 860 THR HG23 . 30501 1
460 . 1 1 50 50 THR CA C 13 58.863 0.006 . . . . . . B 860 THR CA . 30501 1
461 . 1 1 50 50 THR CB C 13 72.081 0.000 . . . . . . B 860 THR CB . 30501 1
462 . 1 1 50 50 THR CG2 C 13 21.999 0.011 . . . . . . B 860 THR CG2 . 30501 1
463 . 1 1 50 50 THR N N 15 114.640 0.006 . . . . . . B 860 THR N . 30501 1
464 . 1 1 51 51 ASP H H 1 8.790 0.002 . . . . . . B 861 ASP H . 30501 1
465 . 1 1 51 51 ASP HA H 1 4.310 0.001 . . . . . . B 861 ASP HA . 30501 1
466 . 1 1 51 51 ASP HB2 H 1 2.638 0.001 . . . . . . B 861 ASP HB2 . 30501 1
467 . 1 1 51 51 ASP HB3 H 1 2.721 0.001 . . . . . . B 861 ASP HB3 . 30501 1
468 . 1 1 51 51 ASP CA C 13 56.920 0.014 . . . . . . B 861 ASP CA . 30501 1
469 . 1 1 51 51 ASP CB C 13 39.761 0.005 . . . . . . B 861 ASP CB . 30501 1
470 . 1 1 51 51 ASP N N 15 117.386 0.005 . . . . . . B 861 ASP N . 30501 1
471 . 1 1 52 52 ILE H H 1 7.702 0.000 . . . . . . B 862 ILE H . 30501 1
472 . 1 1 52 52 ILE HA H 1 4.184 0.001 . . . . . . B 862 ILE HA . 30501 1
473 . 1 1 52 52 ILE HB H 1 1.730 0.000 . . . . . . B 862 ILE HB . 30501 1
474 . 1 1 52 52 ILE HG12 H 1 1.529 0.000 . . . . . . B 862 ILE HG12 . 30501 1
475 . 1 1 52 52 ILE HG13 H 1 1.224 0.003 . . . . . . B 862 ILE HG13 . 30501 1
476 . 1 1 52 52 ILE HG21 H 1 1.202 0.001 . . . . . . B 862 ILE HG21 . 30501 1
477 . 1 1 52 52 ILE HG22 H 1 1.202 0.001 . . . . . . B 862 ILE HG22 . 30501 1
478 . 1 1 52 52 ILE HG23 H 1 1.202 0.001 . . . . . . B 862 ILE HG23 . 30501 1
479 . 1 1 52 52 ILE HD11 H 1 0.884 0.002 . . . . . . B 862 ILE HD11 . 30501 1
480 . 1 1 52 52 ILE HD12 H 1 0.884 0.002 . . . . . . B 862 ILE HD12 . 30501 1
481 . 1 1 52 52 ILE HD13 H 1 0.884 0.002 . . . . . . B 862 ILE HD13 . 30501 1
482 . 1 1 52 52 ILE CA C 13 61.201 0.009 . . . . . . B 862 ILE CA . 30501 1
483 . 1 1 52 52 ILE CB C 13 40.450 0.004 . . . . . . B 862 ILE CB . 30501 1
484 . 1 1 52 52 ILE CG1 C 13 27.711 0.004 . . . . . . B 862 ILE CG1 . 30501 1
485 . 1 1 52 52 ILE CG2 C 13 18.588 0.000 . . . . . . B 862 ILE CG2 . 30501 1
486 . 1 1 52 52 ILE CD1 C 13 12.424 0.000 . . . . . . B 862 ILE CD1 . 30501 1
487 . 1 1 52 52 ILE N N 15 115.819 0.004 . . . . . . B 862 ILE N . 30501 1
488 . 1 1 53 53 HIS H H 1 7.975 0.000 . . . . . . B 863 HIS H . 30501 1
489 . 1 1 53 53 HIS HA H 1 4.113 0.004 . . . . . . B 863 HIS HA . 30501 1
490 . 1 1 53 53 HIS HB2 H 1 2.825 0.002 . . . . . . B 863 HIS HB2 . 30501 1
491 . 1 1 53 53 HIS HB3 H 1 3.121 0.003 . . . . . . B 863 HIS HB3 . 30501 1
492 . 1 1 53 53 HIS HD2 H 1 7.692 0.000 . . . . . . B 863 HIS HD2 . 30501 1
493 . 1 1 53 53 HIS HE1 H 1 8.324 0.000 . . . . . . B 863 HIS HE1 . 30501 1
494 . 1 1 53 53 HIS CA C 13 56.722 0.004 . . . . . . B 863 HIS CA . 30501 1
495 . 1 1 53 53 HIS CB C 13 30.883 0.001 . . . . . . B 863 HIS CB . 30501 1
496 . 1 1 53 53 HIS N N 15 119.977 0.012 . . . . . . B 863 HIS N . 30501 1
497 . 1 1 54 54 LYS HA H 1 4.568 0.000 . . . . . . B 864 LYS HA . 30501 1
498 . 1 1 54 54 LYS HB2 H 1 1.816 0.004 . . . . . . B 864 LYS HB2 . 30501 1
499 . 1 1 54 54 LYS HB3 H 1 1.330 0.001 . . . . . . B 864 LYS HB3 . 30501 1
500 . 1 1 54 54 LYS HG2 H 1 1.001 0.000 . . . . . . B 864 LYS HG2 . 30501 1
501 . 1 1 54 54 LYS HG3 H 1 1.351 0.001 . . . . . . B 864 LYS HG3 . 30501 1
502 . 1 1 54 54 LYS HD2 H 1 1.572 0.000 . . . . . . B 864 LYS HD2 . 30501 1
503 . 1 1 54 54 LYS HD3 H 1 1.449 0.001 . . . . . . B 864 LYS HD3 . 30501 1
504 . 1 1 54 54 LYS HE2 H 1 2.692 0.000 . . . . . . B 864 LYS HE2 . 30501 1
505 . 1 1 54 54 LYS HE3 H 1 2.879 0.000 . . . . . . B 864 LYS HE3 . 30501 1
506 . 1 1 54 54 LYS CA C 13 52.136 0.009 . . . . . . B 864 LYS CA . 30501 1
507 . 1 1 54 54 LYS CB C 13 35.364 0.028 . . . . . . B 864 LYS CB . 30501 1
508 . 1 1 54 54 LYS CG C 13 23.597 0.002 . . . . . . B 864 LYS CG . 30501 1
509 . 1 1 54 54 LYS CD C 13 27.818 0.001 . . . . . . B 864 LYS CD . 30501 1
510 . 1 1 54 54 LYS CE C 13 42.586 0.009 . . . . . . B 864 LYS CE . 30501 1
511 . 1 1 55 55 GLU H H 1 9.294 0.000 . . . . . . B 865 GLU H . 30501 1
512 . 1 1 55 55 GLU HA H 1 3.942 0.005 . . . . . . B 865 GLU HA . 30501 1
513 . 1 1 55 55 GLU HB2 H 1 1.868 0.001 . . . . . . B 865 GLU HB2 . 30501 1
514 . 1 1 55 55 GLU HB3 H 1 2.004 0.003 . . . . . . B 865 GLU HB3 . 30501 1
515 . 1 1 55 55 GLU CA C 13 58.562 0.000 . . . . . . B 865 GLU CA . 30501 1
516 . 1 1 55 55 GLU CB C 13 29.514 0.016 . . . . . . B 865 GLU CB . 30501 1
517 . 1 1 55 55 GLU N N 15 119.635 0.003 . . . . . . B 865 GLU N . 30501 1
518 . 1 1 56 56 ASP H H 1 7.902 0.003 . . . . . . B 866 ASP H . 30501 1
519 . 1 1 56 56 ASP HA H 1 4.486 0.001 . . . . . . B 866 ASP HA . 30501 1
520 . 1 1 56 56 ASP HB2 H 1 2.543 0.000 . . . . . . B 866 ASP HB2 . 30501 1
521 . 1 1 56 56 ASP HB3 H 1 2.832 0.006 . . . . . . B 866 ASP HB3 . 30501 1
522 . 1 1 56 56 ASP CA C 13 53.364 0.005 . . . . . . B 866 ASP CA . 30501 1
523 . 1 1 56 56 ASP CB C 13 39.734 0.012 . . . . . . B 866 ASP CB . 30501 1
524 . 1 1 56 56 ASP N N 15 114.209 0.003 . . . . . . B 866 ASP N . 30501 1
525 . 1 1 57 57 HIS H H 1 7.727 0.001 . . . . . . B 867 HIS H . 30501 1
526 . 1 1 57 57 HIS HA H 1 4.692 0.001 . . . . . . B 867 HIS HA . 30501 1
527 . 1 1 57 57 HIS HB2 H 1 4.020 0.003 . . . . . . B 867 HIS HB2 . 30501 1
528 . 1 1 57 57 HIS HB3 H 1 3.107 0.005 . . . . . . B 867 HIS HB3 . 30501 1
529 . 1 1 57 57 HIS HD2 H 1 7.110 0.000 . . . . . . B 867 HIS HD2 . 30501 1
530 . 1 1 57 57 HIS HE1 H 1 8.180 0.000 . . . . . . B 867 HIS HE1 . 30501 1
531 . 1 1 57 57 HIS CA C 13 56.023 0.012 . . . . . . B 867 HIS CA . 30501 1
532 . 1 1 57 57 HIS CB C 13 31.883 0.001 . . . . . . B 867 HIS CB . 30501 1
533 . 1 1 57 57 HIS CE1 C 13 130.156 0.000 . . . . . . B 867 HIS CE1 . 30501 1
534 . 1 1 57 57 HIS N N 15 120.847 0.017 . . . . . . B 867 HIS N . 30501 1
535 . 1 1 58 58 GLN H H 1 9.287 0.004 . . . . . . B 868 GLN H . 30501 1
536 . 1 1 58 58 GLN HA H 1 4.479 0.000 . . . . . . B 868 GLN HA . 30501 1
537 . 1 1 58 58 GLN HB2 H 1 2.043 0.002 . . . . . . B 868 GLN HB2 . 30501 1
538 . 1 1 58 58 GLN HG2 H 1 2.410 0.001 . . . . . . B 868 GLN HG2 . 30501 1
539 . 1 1 58 58 GLN HG3 H 1 2.330 0.001 . . . . . . B 868 GLN HG3 . 30501 1
540 . 1 1 58 58 GLN HE21 H 1 7.800 0.002 . . . . . . B 868 GLN HE21 . 30501 1
541 . 1 1 58 58 GLN HE22 H 1 6.846 0.000 . . . . . . B 868 GLN HE22 . 30501 1
542 . 1 1 58 58 GLN CA C 13 55.283 0.035 . . . . . . B 868 GLN CA . 30501 1
543 . 1 1 58 58 GLN CB C 13 30.759 0.027 . . . . . . B 868 GLN CB . 30501 1
544 . 1 1 58 58 GLN CG C 13 34.348 0.012 . . . . . . B 868 GLN CG . 30501 1
545 . 1 1 58 58 GLN N N 15 124.080 0.017 . . . . . . B 868 GLN N . 30501 1
546 . 1 1 58 58 GLN NE2 N 15 113.273 0.027 . . . . . . B 868 GLN NE2 . 30501 1
547 . 1 1 59 59 LEU H H 1 8.721 0.002 . . . . . . B 869 LEU H . 30501 1
548 . 1 1 59 59 LEU HA H 1 5.139 0.001 . . . . . . B 869 LEU HA . 30501 1
549 . 1 1 59 59 LEU HB2 H 1 1.484 0.000 . . . . . . B 869 LEU HB2 . 30501 1
550 . 1 1 59 59 LEU HB3 H 1 2.139 0.000 . . . . . . B 869 LEU HB3 . 30501 1
551 . 1 1 59 59 LEU HG H 1 1.974 0.001 . . . . . . B 869 LEU HG . 30501 1
552 . 1 1 59 59 LEU HD21 H 1 0.937 0.000 . . . . . . B 869 LEU HD21 . 30501 1
553 . 1 1 59 59 LEU HD22 H 1 0.937 0.000 . . . . . . B 869 LEU HD22 . 30501 1
554 . 1 1 59 59 LEU HD23 H 1 0.937 0.000 . . . . . . B 869 LEU HD23 . 30501 1
555 . 1 1 59 59 LEU CA C 13 53.279 0.016 . . . . . . B 869 LEU CA . 30501 1
556 . 1 1 59 59 LEU CB C 13 44.972 0.002 . . . . . . B 869 LEU CB . 30501 1
557 . 1 1 59 59 LEU CG C 13 27.343 0.000 . . . . . . B 869 LEU CG . 30501 1
558 . 1 1 59 59 LEU CD2 C 13 22.212 0.002 . . . . . . B 869 LEU CD2 . 30501 1
559 . 1 1 59 59 LEU N N 15 122.830 0.023 . . . . . . B 869 LEU N . 30501 1
560 . 1 1 60 60 GLU H H 1 9.386 0.002 . . . . . . B 870 GLU H . 30501 1
561 . 1 1 60 60 GLU HA H 1 5.189 0.000 . . . . . . B 870 GLU HA . 30501 1
562 . 1 1 60 60 GLU HB2 H 1 2.067 0.000 . . . . . . B 870 GLU HB2 . 30501 1
563 . 1 1 60 60 GLU HB3 H 1 2.001 0.001 . . . . . . B 870 GLU HB3 . 30501 1
564 . 1 1 60 60 GLU HG2 H 1 2.328 0.001 . . . . . . B 870 GLU HG2 . 30501 1
565 . 1 1 60 60 GLU HG3 H 1 2.238 0.001 . . . . . . B 870 GLU HG3 . 30501 1
566 . 1 1 60 60 GLU CA C 13 51.900 0.015 . . . . . . B 870 GLU CA . 30501 1
567 . 1 1 60 60 GLU CB C 13 32.624 0.003 . . . . . . B 870 GLU CB . 30501 1
568 . 1 1 60 60 GLU CG C 13 35.178 0.019 . . . . . . B 870 GLU CG . 30501 1
569 . 1 1 60 60 GLU N N 15 123.444 0.009 . . . . . . B 870 GLU N . 30501 1
570 . 1 1 61 61 PRO HA H 1 3.509 0.003 . . . . . . B 871 PRO HA . 30501 1
571 . 1 1 61 61 PRO HB2 H 1 0.527 0.002 . . . . . . B 871 PRO HB2 . 30501 1
572 . 1 1 61 61 PRO HB3 H 1 -0.458 0.002 . . . . . . B 871 PRO HB3 . 30501 1
573 . 1 1 61 61 PRO HG2 H 1 2.036 0.000 . . . . . . B 871 PRO HG2 . 30501 1
574 . 1 1 61 61 PRO HG3 H 1 1.726 0.000 . . . . . . B 871 PRO HG3 . 30501 1
575 . 1 1 61 61 PRO HD2 H 1 3.727 0.002 . . . . . . B 871 PRO HD2 . 30501 1
576 . 1 1 61 61 PRO HD3 H 1 3.691 0.005 . . . . . . B 871 PRO HD3 . 30501 1
577 . 1 1 61 61 PRO CA C 13 61.725 0.000 . . . . . . B 871 PRO CA . 30501 1
578 . 1 1 61 61 PRO CB C 13 29.775 0.024 . . . . . . B 871 PRO CB . 30501 1
579 . 1 1 61 61 PRO CG C 13 26.499 0.005 . . . . . . B 871 PRO CG . 30501 1
580 . 1 1 61 61 PRO CD C 13 50.237 0.022 . . . . . . B 871 PRO CD . 30501 1
581 . 1 1 62 62 ILE H H 1 8.728 0.000 . . . . . . B 872 ILE H . 30501 1
582 . 1 1 62 62 ILE HA H 1 3.970 0.003 . . . . . . B 872 ILE HA . 30501 1
583 . 1 1 62 62 ILE HB H 1 1.548 0.000 . . . . . . B 872 ILE HB . 30501 1
584 . 1 1 62 62 ILE HG12 H 1 1.158 0.001 . . . . . . B 872 ILE HG12 . 30501 1
585 . 1 1 62 62 ILE HG13 H 1 1.036 0.002 . . . . . . B 872 ILE HG13 . 30501 1
586 . 1 1 62 62 ILE HG21 H 1 0.868 0.001 . . . . . . B 872 ILE HG21 . 30501 1
587 . 1 1 62 62 ILE HG22 H 1 0.868 0.001 . . . . . . B 872 ILE HG22 . 30501 1
588 . 1 1 62 62 ILE HG23 H 1 0.868 0.001 . . . . . . B 872 ILE HG23 . 30501 1
589 . 1 1 62 62 ILE HD11 H 1 0.469 0.003 . . . . . . B 872 ILE HD11 . 30501 1
590 . 1 1 62 62 ILE HD12 H 1 0.469 0.003 . . . . . . B 872 ILE HD12 . 30501 1
591 . 1 1 62 62 ILE HD13 H 1 0.469 0.003 . . . . . . B 872 ILE HD13 . 30501 1
592 . 1 1 62 62 ILE CA C 13 60.438 0.009 . . . . . . B 872 ILE CA . 30501 1
593 . 1 1 62 62 ILE CB C 13 38.193 0.062 . . . . . . B 872 ILE CB . 30501 1
594 . 1 1 62 62 ILE CG1 C 13 26.646 0.003 . . . . . . B 872 ILE CG1 . 30501 1
595 . 1 1 62 62 ILE CG2 C 13 17.786 0.000 . . . . . . B 872 ILE CG2 . 30501 1
596 . 1 1 62 62 ILE CD1 C 13 12.049 0.000 . . . . . . B 872 ILE CD1 . 30501 1
597 . 1 1 62 62 ILE N N 15 124.706 0.012 . . . . . . B 872 ILE N . 30501 1
598 . 1 1 63 63 TYR H H 1 8.539 0.002 . . . . . . B 873 TYR H . 30501 1
599 . 1 1 63 63 TYR HA H 1 4.382 0.002 . . . . . . B 873 TYR HA . 30501 1
600 . 1 1 63 63 TYR HB2 H 1 3.104 0.006 . . . . . . B 873 TYR HB2 . 30501 1
601 . 1 1 63 63 TYR HB3 H 1 2.695 0.002 . . . . . . B 873 TYR HB3 . 30501 1
602 . 1 1 63 63 TYR HD1 H 1 7.045 0.000 . . . . . . B 873 TYR HD1 . 30501 1
603 . 1 1 63 63 TYR HD2 H 1 7.045 0.000 . . . . . . B 873 TYR HD2 . 30501 1
604 . 1 1 63 63 TYR HE1 H 1 6.665 0.000 . . . . . . B 873 TYR HE1 . 30501 1
605 . 1 1 63 63 TYR HE2 H 1 6.665 0.000 . . . . . . B 873 TYR HE2 . 30501 1
606 . 1 1 63 63 TYR CA C 13 59.253 0.000 . . . . . . B 873 TYR CA . 30501 1
607 . 1 1 63 63 TYR CB C 13 39.604 0.001 . . . . . . B 873 TYR CB . 30501 1
608 . 1 1 63 63 TYR N N 15 125.433 0.007 . . . . . . B 873 TYR N . 30501 1
609 . 1 1 64 64 ARG H H 1 7.428 0.001 . . . . . . B 874 ARG H . 30501 1
610 . 1 1 64 64 ARG HA H 1 4.077 0.001 . . . . . . B 874 ARG HA . 30501 1
611 . 1 1 64 64 ARG HB2 H 1 1.629 0.001 . . . . . . B 874 ARG HB2 . 30501 1
612 . 1 1 64 64 ARG HB3 H 1 1.799 0.001 . . . . . . B 874 ARG HB3 . 30501 1
613 . 1 1 64 64 ARG HG2 H 1 1.454 0.001 . . . . . . B 874 ARG HG2 . 30501 1
614 . 1 1 64 64 ARG HG3 H 1 1.388 0.000 . . . . . . B 874 ARG HG3 . 30501 1
615 . 1 1 64 64 ARG HD2 H 1 3.104 0.002 . . . . . . B 874 ARG HD2 . 30501 1
616 . 1 1 64 64 ARG CA C 13 56.827 0.000 . . . . . . B 874 ARG CA . 30501 1
617 . 1 1 64 64 ARG CB C 13 32.023 0.005 . . . . . . B 874 ARG CB . 30501 1
618 . 1 1 64 64 ARG CG C 13 26.585 0.000 . . . . . . B 874 ARG CG . 30501 1
619 . 1 1 64 64 ARG CD C 13 43.451 0.005 . . . . . . B 874 ARG CD . 30501 1
620 . 1 1 64 64 ARG N N 15 121.702 0.007 . . . . . . B 874 ARG N . 30501 1
621 . 2 2 1 1 ALA HA H 1 4.192 0.002 . . . . . . A 1 ALA HA . 30501 1
622 . 2 2 1 1 ALA HB1 H 1 1.522 0.007 . . . . . . A 1 ALA HB1 . 30501 1
623 . 2 2 1 1 ALA HB2 H 1 1.522 0.007 . . . . . . A 1 ALA HB2 . 30501 1
624 . 2 2 1 1 ALA HB3 H 1 1.522 0.007 . . . . . . A 1 ALA HB3 . 30501 1
625 . 2 2 2 2 ARG HA H 1 4.488 0.008 . . . . . . A 2 ARG HA . 30501 1
626 . 2 2 2 2 ARG HB2 H 1 1.808 0.014 . . . . . . A 2 ARG HB2 . 30501 1
627 . 2 2 2 2 ARG HG2 H 1 1.557 0.002 . . . . . . A 2 ARG HG2 . 30501 1
628 . 2 2 2 2 ARG HD2 H 1 3.140 0.007 . . . . . . A 2 ARG HD2 . 30501 1
629 . 2 2 3 3 THR HA H 1 4.326 0.005 . . . . . . A 3 THR HA . 30501 1
630 . 2 2 3 3 THR HB H 1 4.178 0.006 . . . . . . A 3 THR HB . 30501 1
631 . 2 2 3 3 THR HG21 H 1 1.144 0.006 . . . . . . A 3 THR HG21 . 30501 1
632 . 2 2 3 3 THR HG22 H 1 1.144 0.006 . . . . . . A 3 THR HG22 . 30501 1
633 . 2 2 3 3 THR HG23 H 1 1.144 0.006 . . . . . . A 3 THR HG23 . 30501 1
634 . 2 2 4 4 LYS HA H 1 4.343 0.000 . . . . . . A 4 LYS HA . 30501 1
635 . 2 2 4 4 LYS HG2 H 1 1.409 0.008 . . . . . . A 4 LYS HG2 . 30501 1
636 . 2 2 4 4 LYS HD2 H 1 1.673 0.000 . . . . . . A 4 LYS HD2 . 30501 1
637 . 2 2 4 4 LYS HE2 H 1 2.955 0.005 . . . . . . A 4 LYS HE2 . 30501 1
638 . 2 2 6 6 THR HA H 1 4.297 0.000 . . . . . . A 6 THR HA . 30501 1
639 . 2 2 6 6 THR HB H 1 4.184 0.000 . . . . . . A 6 THR HB . 30501 1
640 . 2 2 6 6 THR HG21 H 1 1.184 0.000 . . . . . . A 6 THR HG21 . 30501 1
641 . 2 2 6 6 THR HG22 H 1 1.184 0.000 . . . . . . A 6 THR HG22 . 30501 1
642 . 2 2 6 6 THR HG23 H 1 1.184 0.000 . . . . . . A 6 THR HG23 . 30501 1
643 . 2 2 7 7 ALA H H 1 8.328 0.000 . . . . . . A 7 ALA H . 30501 1
644 . 2 2 7 7 ALA HA H 1 4.323 0.001 . . . . . . A 7 ALA HA . 30501 1
645 . 2 2 7 7 ALA HB1 H 1 1.374 0.001 . . . . . . A 7 ALA HB1 . 30501 1
646 . 2 2 7 7 ALA HB2 H 1 1.374 0.001 . . . . . . A 7 ALA HB2 . 30501 1
647 . 2 2 7 7 ALA HB3 H 1 1.374 0.001 . . . . . . A 7 ALA HB3 . 30501 1
648 . 2 2 10 10 SER H H 1 8.467 0.000 . . . . . . A 10 SER H . 30501 1
649 . 2 2 10 10 SER HA H 1 4.526 0.001 . . . . . . A 10 SER HA . 30501 1
650 . 2 2 10 10 SER HB2 H 1 3.915 0.000 . . . . . . A 10 SER HB2 . 30501 1
651 . 2 2 10 10 SER HB3 H 1 3.868 0.000 . . . . . . A 10 SER HB3 . 30501 1
652 . 2 2 11 11 THR HB H 1 4.297 0.000 . . . . . . A 11 THR HB . 30501 1
653 . 2 2 11 11 THR HG21 H 1 1.205 0.000 . . . . . . A 11 THR HG21 . 30501 1
654 . 2 2 11 11 THR HG22 H 1 1.205 0.000 . . . . . . A 11 THR HG22 . 30501 1
655 . 2 2 11 11 THR HG23 H 1 1.205 0.000 . . . . . . A 11 THR HG23 . 30501 1
stop_
save_