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 34600
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 '2D 1H-15N HSQC' . . . 34600 1
2 '3D 1H-15N NOESY' . . . 34600 1
3 '3D 1H-13C NOESY' . . . 34600 1
4 '3D HCCH-TOCSY' . . . 34600 1
5 '2D 15N HSQC-NOESY' . . . 34600 1
6 '3D 1H-15N TOCSY' . . . 34600 1
7 '3D CBCA(CO)NH' . . . 34600 1
8 '3D HNCACB' . . . 34600 1
9 '3D HN(CA)CO' . . . 34600 1
10 '3D HNCO' . . . 34600 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 4 4 ASN HA H 1 4.232 0.00 . . . . . . A 87 ASN HA . 34600 1
2 . 1 . 1 4 4 ASN HB2 H 1 2.821 0.00 . . . . . . A 87 ASN HB2 . 34600 1
3 . 1 . 1 4 4 ASN HB3 H 1 2.871 0.00 . . . . . . A 87 ASN HB3 . 34600 1
4 . 1 . 1 4 4 ASN C C 13 175.628 0.01 . . . . . . A 87 ASN C . 34600 1
5 . 1 . 1 4 4 ASN CA C 13 53.209 0.19 . . . . . . A 87 ASN CA . 34600 1
6 . 1 . 1 4 4 ASN CB C 13 38.744 0.16 . . . . . . A 87 ASN CB . 34600 1
7 . 1 . 1 4 4 ASN N N 15 120.600 0.06 . . . . . . A 87 ASN N . 34600 1
8 . 1 . 1 5 5 GLY H H 1 8.304 0.01 . . . . . . A 88 GLY H . 34600 1
9 . 1 . 1 5 5 GLY C C 13 173.865 0.01 . . . . . . A 88 GLY C . 34600 1
10 . 1 . 1 5 5 GLY CA C 13 45.207 0.13 . . . . . . A 88 GLY CA . 34600 1
11 . 1 . 1 5 5 GLY N N 15 108.818 0.06 . . . . . . A 88 GLY N . 34600 1
12 . 1 . 1 6 6 MET H H 1 8.025 0.01 . . . . . . A 89 MET H . 34600 1
13 . 1 . 1 6 6 MET HA H 1 4.761 0.01 . . . . . . A 89 MET HA . 34600 1
14 . 1 . 1 6 6 MET HB2 H 1 1.940 0.00 . . . . . . A 89 MET HB2 . 34600 1
15 . 1 . 1 6 6 MET HB3 H 1 1.985 0.02 . . . . . . A 89 MET HB3 . 34600 1
16 . 1 . 1 6 6 MET HG2 H 1 2.508 0.02 . . . . . . A 89 MET HG2 . 34600 1
17 . 1 . 1 6 6 MET HG3 H 1 2.579 0.01 . . . . . . A 89 MET HG3 . 34600 1
18 . 1 . 1 6 6 MET C C 13 174.268 0.00 . . . . . . A 89 MET C . 34600 1
19 . 1 . 1 6 6 MET CA C 13 53.345 0.05 . . . . . . A 89 MET CA . 34600 1
20 . 1 . 1 6 6 MET CB C 13 32.505 0.11 . . . . . . A 89 MET CB . 34600 1
21 . 1 . 1 6 6 MET CG C 13 32.062 0.03 . . . . . . A 89 MET CG . 34600 1
22 . 1 . 1 6 6 MET N N 15 120.875 0.06 . . . . . . A 89 MET N . 34600 1
23 . 1 . 1 7 7 PRO HA H 1 4.388 0.00 . . . . . . A 90 PRO HA . 34600 1
24 . 1 . 1 7 7 PRO HB2 H 1 1.837 0.00 . . . . . . A 90 PRO HB2 . 34600 1
25 . 1 . 1 7 7 PRO HB3 H 1 2.241 0.01 . . . . . . A 90 PRO HB3 . 34600 1
26 . 1 . 1 7 7 PRO HG2 H 1 1.971 0.01 . . . . . . A 90 PRO HG2 . 34600 1
27 . 1 . 1 7 7 PRO HG3 H 1 1.971 0.01 . . . . . . A 90 PRO HG3 . 34600 1
28 . 1 . 1 7 7 PRO HD2 H 1 3.614 0.01 . . . . . . A 90 PRO HD2 . 34600 1
29 . 1 . 1 7 7 PRO HD3 H 1 3.809 0.00 . . . . . . A 90 PRO HD3 . 34600 1
30 . 1 . 1 7 7 PRO C C 13 176.834 0.01 . . . . . . A 90 PRO C . 34600 1
31 . 1 . 1 7 7 PRO CA C 13 63.076 0.14 . . . . . . A 90 PRO CA . 34600 1
32 . 1 . 1 7 7 PRO CB C 13 32.111 0.14 . . . . . . A 90 PRO CB . 34600 1
33 . 1 . 1 7 7 PRO CG C 13 27.472 0.08 . . . . . . A 90 PRO CG . 34600 1
34 . 1 . 1 7 7 PRO CD C 13 50.714 0.08 . . . . . . A 90 PRO CD . 34600 1
35 . 1 . 1 8 8 LEU H H 1 8.320 0.00 . . . . . . A 91 LEU H . 34600 1
36 . 1 . 1 8 8 LEU HA H 1 4.241 0.01 . . . . . . A 91 LEU HA . 34600 1
37 . 1 . 1 8 8 LEU C C 13 177.296 0.01 . . . . . . A 91 LEU C . 34600 1
38 . 1 . 1 8 8 LEU CA C 13 55.223 0.08 . . . . . . A 91 LEU CA . 34600 1
39 . 1 . 1 8 8 LEU CB C 13 42.368 0.11 . . . . . . A 91 LEU CB . 34600 1
40 . 1 . 1 8 8 LEU N N 15 122.248 0.06 . . . . . . A 91 LEU N . 34600 1
41 . 1 . 1 9 9 ASN H H 1 8.398 0.01 . . . . . . A 92 ASN H . 34600 1
42 . 1 . 1 9 9 ASN HA H 1 4.633 0.01 . . . . . . A 92 ASN HA . 34600 1
43 . 1 . 1 9 9 ASN HB2 H 1 2.752 0.00 . . . . . . A 92 ASN HB2 . 34600 1
44 . 1 . 1 9 9 ASN HB3 H 1 2.752 0.00 . . . . . . A 92 ASN HB3 . 34600 1
45 . 1 . 1 9 9 ASN C C 13 175.162 0.02 . . . . . . A 92 ASN C . 34600 1
46 . 1 . 1 9 9 ASN CA C 13 53.194 0.16 . . . . . . A 92 ASN CA . 34600 1
47 . 1 . 1 9 9 ASN CB C 13 38.648 0.17 . . . . . . A 92 ASN CB . 34600 1
48 . 1 . 1 9 9 ASN N N 15 119.005 0.13 . . . . . . A 92 ASN N . 34600 1
49 . 1 . 1 10 10 GLN H H 1 8.357 0.01 . . . . . . A 93 GLN H . 34600 1
50 . 1 . 1 10 10 GLN HA H 1 4.275 0.01 . . . . . . A 93 GLN HA . 34600 1
51 . 1 . 1 10 10 GLN HB2 H 1 1.919 0.00 . . . . . . A 93 GLN HB2 . 34600 1
52 . 1 . 1 10 10 GLN HB3 H 1 2.096 0.00 . . . . . . A 93 GLN HB3 . 34600 1
53 . 1 . 1 10 10 GLN HG2 H 1 2.301 0.00 . . . . . . A 93 GLN HG2 . 34600 1
54 . 1 . 1 10 10 GLN HG3 H 1 2.301 0.00 . . . . . . A 93 GLN HG3 . 34600 1
55 . 1 . 1 10 10 GLN C C 13 176.440 0.01 . . . . . . A 93 GLN C . 34600 1
56 . 1 . 1 10 10 GLN CA C 13 56.222 0.16 . . . . . . A 93 GLN CA . 34600 1
57 . 1 . 1 10 10 GLN CB C 13 29.370 0.12 . . . . . . A 93 GLN CB . 34600 1
58 . 1 . 1 10 10 GLN CG C 13 33.919 0.04 . . . . . . A 93 GLN CG . 34600 1
59 . 1 . 1 10 10 GLN N N 15 120.721 0.10 . . . . . . A 93 GLN N . 34600 1
60 . 1 . 1 11 11 GLY H H 1 8.385 0.01 . . . . . . A 94 GLY H . 34600 1
61 . 1 . 1 11 11 GLY HA2 H 1 3.884 0.00 . . . . . . A 94 GLY HA2 . 34600 1
62 . 1 . 1 11 11 GLY HA3 H 1 3.884 0.00 . . . . . . A 94 GLY HA3 . 34600 1
63 . 1 . 1 11 11 GLY C C 13 173.948 0.01 . . . . . . A 94 GLY C . 34600 1
64 . 1 . 1 11 11 GLY CA C 13 45.398 0.00 . . . . . . A 94 GLY CA . 34600 1
65 . 1 . 1 11 11 GLY N N 15 109.675 0.06 . . . . . . A 94 GLY N . 34600 1
66 . 1 . 1 12 12 ALA H H 1 8.035 0.00 . . . . . . A 95 ALA H . 34600 1
67 . 1 . 1 12 12 ALA HA H 1 4.242 0.00 . . . . . . A 95 ALA HA . 34600 1
68 . 1 . 1 12 12 ALA HB1 H 1 1.327 0.01 . . . . . . A 95 ALA HB1 . 34600 1
69 . 1 . 1 12 12 ALA HB2 H 1 1.327 0.01 . . . . . . A 95 ALA HB2 . 34600 1
70 . 1 . 1 12 12 ALA HB3 H 1 1.327 0.01 . . . . . . A 95 ALA HB3 . 34600 1
71 . 1 . 1 12 12 ALA C C 13 177.590 0.01 . . . . . . A 95 ALA C . 34600 1
72 . 1 . 1 12 12 ALA CA C 13 52.393 0.10 . . . . . . A 95 ALA CA . 34600 1
73 . 1 . 1 12 12 ALA CB C 13 19.129 0.09 . . . . . . A 95 ALA CB . 34600 1
74 . 1 . 1 12 12 ALA N N 15 123.791 0.07 . . . . . . A 95 ALA N . 34600 1
75 . 1 . 1 13 13 ALA H H 1 8.171 0.01 . . . . . . A 96 ALA H . 34600 1
76 . 1 . 1 13 13 ALA HA H 1 4.260 0.00 . . . . . . A 96 ALA HA . 34600 1
77 . 1 . 1 13 13 ALA HB1 H 1 1.338 0.01 . . . . . . A 96 ALA HB1 . 34600 1
78 . 1 . 1 13 13 ALA HB2 H 1 1.338 0.01 . . . . . . A 96 ALA HB2 . 34600 1
79 . 1 . 1 13 13 ALA HB3 H 1 1.338 0.01 . . . . . . A 96 ALA HB3 . 34600 1
80 . 1 . 1 13 13 ALA C C 13 177.649 0.02 . . . . . . A 96 ALA C . 34600 1
81 . 1 . 1 13 13 ALA CA C 13 52.396 0.08 . . . . . . A 96 ALA CA . 34600 1
82 . 1 . 1 13 13 ALA CB C 13 18.906 0.10 . . . . . . A 96 ALA CB . 34600 1
83 . 1 . 1 13 13 ALA N N 15 122.975 0.06 . . . . . . A 96 ALA N . 34600 1
84 . 1 . 1 14 14 LEU H H 1 8.084 0.01 . . . . . . A 97 LEU H . 34600 1
85 . 1 . 1 14 14 LEU HA H 1 4.268 0.02 . . . . . . A 97 LEU HA . 34600 1
86 . 1 . 1 14 14 LEU HB2 H 1 1.602 0.01 . . . . . . A 97 LEU HB2 . 34600 1
87 . 1 . 1 14 14 LEU HB3 H 1 1.512 0.01 . . . . . . A 97 LEU HB3 . 34600 1
88 . 1 . 1 14 14 LEU HD11 H 1 0.881 0.00 . . . . . . A 97 LEU HD11 . 34600 1
89 . 1 . 1 14 14 LEU HD12 H 1 0.881 0.00 . . . . . . A 97 LEU HD12 . 34600 1
90 . 1 . 1 14 14 LEU HD13 H 1 0.881 0.00 . . . . . . A 97 LEU HD13 . 34600 1
91 . 1 . 1 14 14 LEU HD21 H 1 0.840 0.01 . . . . . . A 97 LEU HD21 . 34600 1
92 . 1 . 1 14 14 LEU HD22 H 1 0.840 0.01 . . . . . . A 97 LEU HD22 . 34600 1
93 . 1 . 1 14 14 LEU HD23 H 1 0.840 0.01 . . . . . . A 97 LEU HD23 . 34600 1
94 . 1 . 1 14 14 LEU C C 13 177.853 0.02 . . . . . . A 97 LEU C . 34600 1
95 . 1 . 1 14 14 LEU CA C 13 55.246 0.09 . . . . . . A 97 LEU CA . 34600 1
96 . 1 . 1 14 14 LEU CB C 13 42.425 0.11 . . . . . . A 97 LEU CB . 34600 1
97 . 1 . 1 14 14 LEU CD1 C 13 24.360 0.07 . . . . . . A 97 LEU CD1 . 34600 1
98 . 1 . 1 14 14 LEU N N 15 120.962 0.08 . . . . . . A 97 LEU N . 34600 1
99 . 1 . 1 15 15 GLY H H 1 8.238 0.01 . . . . . . A 98 GLY H . 34600 1
100 . 1 . 1 15 15 GLY HA2 H 1 3.884 0.03 . . . . . . A 98 GLY HA2 . 34600 1
101 . 1 . 1 15 15 GLY HA3 H 1 3.884 0.03 . . . . . . A 98 GLY HA3 . 34600 1
102 . 1 . 1 15 15 GLY C C 13 173.820 0.01 . . . . . . A 98 GLY C . 34600 1
103 . 1 . 1 15 15 GLY CA C 13 45.255 0.12 . . . . . . A 98 GLY CA . 34600 1
104 . 1 . 1 15 15 GLY N N 15 109.176 0.06 . . . . . . A 98 GLY N . 34600 1
105 . 1 . 1 16 16 ILE H H 1 7.886 0.01 . . . . . . A 99 ILE H . 34600 1
106 . 1 . 1 16 16 ILE HA H 1 4.155 0.00 . . . . . . A 99 ILE HA . 34600 1
107 . 1 . 1 16 16 ILE HB H 1 1.792 0.02 . . . . . . A 99 ILE HB . 34600 1
108 . 1 . 1 16 16 ILE C C 13 175.775 0.01 . . . . . . A 99 ILE C . 34600 1
109 . 1 . 1 16 16 ILE CA C 13 60.795 0.15 . . . . . . A 99 ILE CA . 34600 1
110 . 1 . 1 16 16 ILE CB C 13 38.913 0.18 . . . . . . A 99 ILE CB . 34600 1
111 . 1 . 1 16 16 ILE N N 15 119.735 0.07 . . . . . . A 99 ILE N . 34600 1
112 . 1 . 1 17 17 ALA H H 1 8.348 0.00 . . . . . . A 100 ALA H . 34600 1
113 . 1 . 1 17 17 ALA HA H 1 4.469 0.01 . . . . . . A 100 ALA HA . 34600 1
114 . 1 . 1 17 17 ALA HB1 H 1 1.323 0.01 . . . . . . A 100 ALA HB1 . 34600 1
115 . 1 . 1 17 17 ALA HB2 H 1 1.323 0.01 . . . . . . A 100 ALA HB2 . 34600 1
116 . 1 . 1 17 17 ALA HB3 H 1 1.323 0.01 . . . . . . A 100 ALA HB3 . 34600 1
117 . 1 . 1 17 17 ALA C C 13 177.569 0.01 . . . . . . A 100 ALA C . 34600 1
118 . 1 . 1 17 17 ALA CA C 13 52.150 0.09 . . . . . . A 100 ALA CA . 34600 1
119 . 1 . 1 17 17 ALA CB C 13 19.378 0.08 . . . . . . A 100 ALA CB . 34600 1
120 . 1 . 1 17 17 ALA N N 15 128.068 0.16 . . . . . . A 100 ALA N . 34600 1
121 . 1 . 1 18 18 THR H H 1 8.206 0.00 . . . . . . A 101 THR H . 34600 1
122 . 1 . 1 18 18 THR HA H 1 4.347 0.00 . . . . . . A 101 THR HA . 34600 1
123 . 1 . 1 18 18 THR HB H 1 4.152 0.01 . . . . . . A 101 THR HB . 34600 1
124 . 1 . 1 18 18 THR HG21 H 1 1.146 0.01 . . . . . . A 101 THR HG21 . 34600 1
125 . 1 . 1 18 18 THR HG22 H 1 1.146 0.01 . . . . . . A 101 THR HG22 . 34600 1
126 . 1 . 1 18 18 THR HG23 H 1 1.146 0.01 . . . . . . A 101 THR HG23 . 34600 1
127 . 1 . 1 18 18 THR C C 13 174.185 0.00 . . . . . . A 101 THR C . 34600 1
128 . 1 . 1 18 18 THR CA C 13 61.552 0.00 . . . . . . A 101 THR CA . 34600 1
129 . 1 . 1 18 18 THR CB C 13 70.132 0.19 . . . . . . A 101 THR CB . 34600 1
130 . 1 . 1 18 18 THR CG2 C 13 21.603 0.08 . . . . . . A 101 THR CG2 . 34600 1
131 . 1 . 1 18 18 THR N N 15 114.568 0.06 . . . . . . A 101 THR N . 34600 1
132 . 1 . 1 19 19 VAL H H 1 8.095 0.00 . . . . . . A 102 VAL H . 34600 1
133 . 1 . 1 19 19 VAL HA H 1 4.335 0.00 . . . . . . A 102 VAL HA . 34600 1
134 . 1 . 1 19 19 VAL HB H 1 1.958 0.01 . . . . . . A 102 VAL HB . 34600 1
135 . 1 . 1 19 19 VAL HG11 H 1 0.853 0.00 . . . . . . A 102 VAL HG11 . 34600 1
136 . 1 . 1 19 19 VAL HG12 H 1 0.853 0.00 . . . . . . A 102 VAL HG12 . 34600 1
137 . 1 . 1 19 19 VAL HG13 H 1 0.853 0.00 . . . . . . A 102 VAL HG13 . 34600 1
138 . 1 . 1 19 19 VAL C C 13 175.992 0.01 . . . . . . A 102 VAL C . 34600 1
139 . 1 . 1 19 19 VAL CA C 13 61.445 0.09 . . . . . . A 102 VAL CA . 34600 1
140 . 1 . 1 19 19 VAL CB C 13 33.212 0.18 . . . . . . A 102 VAL CB . 34600 1
141 . 1 . 1 19 19 VAL N N 15 121.113 0.02 . . . . . . A 102 VAL N . 34600 1
142 . 1 . 1 20 20 ASP H H 1 8.395 0.01 . . . . . . A 103 ASP H . 34600 1
143 . 1 . 1 20 20 ASP HA H 1 4.578 0.00 . . . . . . A 103 ASP HA . 34600 1
144 . 1 . 1 20 20 ASP HB2 H 1 2.881 0.02 . . . . . . A 103 ASP HB2 . 34600 1
145 . 1 . 1 20 20 ASP HB3 H 1 2.644 0.01 . . . . . . A 103 ASP HB3 . 34600 1
146 . 1 . 1 20 20 ASP C C 13 177.036 0.00 . . . . . . A 103 ASP C . 34600 1
147 . 1 . 1 20 20 ASP CA C 13 53.514 0.09 . . . . . . A 103 ASP CA . 34600 1
148 . 1 . 1 20 20 ASP CB C 13 41.382 0.11 . . . . . . A 103 ASP CB . 34600 1
149 . 1 . 1 20 20 ASP N N 15 124.280 0.06 . . . . . . A 103 ASP N . 34600 1
150 . 1 . 1 21 21 ALA H H 1 8.257 0.01 . . . . . . A 104 ALA H . 34600 1
151 . 1 . 1 21 21 ALA HA H 1 4.145 0.01 . . . . . . A 104 ALA HA . 34600 1
152 . 1 . 1 21 21 ALA HB1 H 1 1.379 0.00 . . . . . . A 104 ALA HB1 . 34600 1
153 . 1 . 1 21 21 ALA HB2 H 1 1.379 0.00 . . . . . . A 104 ALA HB2 . 34600 1
154 . 1 . 1 21 21 ALA HB3 H 1 1.379 0.00 . . . . . . A 104 ALA HB3 . 34600 1
155 . 1 . 1 21 21 ALA C C 13 178.409 0.01 . . . . . . A 104 ALA C . 34600 1
156 . 1 . 1 21 21 ALA CA C 13 53.604 0.10 . . . . . . A 104 ALA CA . 34600 1
157 . 1 . 1 21 21 ALA CB C 13 18.658 0.06 . . . . . . A 104 ALA CB . 34600 1
158 . 1 . 1 21 21 ALA N N 15 122.751 0.06 . . . . . . A 104 ALA N . 34600 1
159 . 1 . 1 22 22 GLN H H 1 8.199 0.01 . . . . . . A 105 GLN H . 34600 1
160 . 1 . 1 22 22 GLN HA H 1 4.270 0.00 . . . . . . A 105 GLN HA . 34600 1
161 . 1 . 1 22 22 GLN HB2 H 1 2.172 0.01 . . . . . . A 105 GLN HB2 . 34600 1
162 . 1 . 1 22 22 GLN HB3 H 1 2.172 0.01 . . . . . . A 105 GLN HB3 . 34600 1
163 . 1 . 1 22 22 GLN HG2 H 1 2.022 0.01 . . . . . . A 105 GLN HG2 . 34600 1
164 . 1 . 1 22 22 GLN HG3 H 1 2.314 0.01 . . . . . . A 105 GLN HG3 . 34600 1
165 . 1 . 1 22 22 GLN C C 13 176.606 0.01 . . . . . . A 105 GLN C . 34600 1
166 . 1 . 1 22 22 GLN CA C 13 56.028 0.18 . . . . . . A 105 GLN CA . 34600 1
167 . 1 . 1 22 22 GLN CB C 13 28.966 0.11 . . . . . . A 105 GLN CB . 34600 1
168 . 1 . 1 22 22 GLN N N 15 117.076 0.07 . . . . . . A 105 GLN N . 34600 1
169 . 1 . 1 23 23 GLY H H 1 8.193 0.02 . . . . . . A 106 GLY H . 34600 1
170 . 1 . 1 23 23 GLY HA2 H 1 3.904 0.00 . . . . . . A 106 GLY HA2 . 34600 1
171 . 1 . 1 23 23 GLY HA3 H 1 3.904 0.00 . . . . . . A 106 GLY HA3 . 34600 1
172 . 1 . 1 23 23 GLY C C 13 174.245 0.02 . . . . . . A 106 GLY C . 34600 1
173 . 1 . 1 23 23 GLY CA C 13 45.492 0.10 . . . . . . A 106 GLY CA . 34600 1
174 . 1 . 1 23 23 GLY N N 15 108.857 0.09 . . . . . . A 106 GLY N . 34600 1
175 . 1 . 1 24 24 ARG H H 1 8.189 0.01 . . . . . . A 107 ARG H . 34600 1
176 . 1 . 1 24 24 ARG HA H 1 4.301 0.00 . . . . . . A 107 ARG HA . 34600 1
177 . 1 . 1 24 24 ARG HB2 H 1 1.775 0.01 . . . . . . A 107 ARG HB2 . 34600 1
178 . 1 . 1 24 24 ARG HB3 H 1 1.775 0.01 . . . . . . A 107 ARG HB3 . 34600 1
179 . 1 . 1 24 24 ARG HG2 H 1 1.573 0.00 . . . . . . A 107 ARG HG2 . 34600 1
180 . 1 . 1 24 24 ARG HG3 H 1 1.573 0.00 . . . . . . A 107 ARG HG3 . 34600 1
181 . 1 . 1 24 24 ARG HD2 H 1 3.137 0.01 . . . . . . A 107 ARG HD2 . 34600 1
182 . 1 . 1 24 24 ARG HD3 H 1 3.137 0.01 . . . . . . A 107 ARG HD3 . 34600 1
183 . 1 . 1 24 24 ARG HE H 1 7.378 0.00 . . . . . . A 107 ARG HE . 34600 1
184 . 1 . 1 24 24 ARG C C 13 176.288 0.01 . . . . . . A 107 ARG C . 34600 1
185 . 1 . 1 24 24 ARG CA C 13 55.987 0.12 . . . . . . A 107 ARG CA . 34600 1
186 . 1 . 1 24 24 ARG CB C 13 30.638 0.13 . . . . . . A 107 ARG CB . 34600 1
187 . 1 . 1 24 24 ARG CG C 13 27.220 0.05 . . . . . . A 107 ARG CG . 34600 1
188 . 1 . 1 24 24 ARG CD C 13 43.308 0.11 . . . . . . A 107 ARG CD . 34600 1
189 . 1 . 1 24 24 ARG N N 15 121.008 0.08 . . . . . . A 107 ARG N . 34600 1
190 . 1 . 1 24 24 ARG NE N 15 87.584 0.03 . . . . . . A 107 ARG NE . 34600 1
191 . 1 . 1 25 25 ILE H H 1 8.181 0.00 . . . . . . A 108 ILE H . 34600 1
192 . 1 . 1 25 25 ILE HA H 1 4.162 0.00 . . . . . . A 108 ILE HA . 34600 1
193 . 1 . 1 25 25 ILE HB H 1 1.757 0.00 . . . . . . A 108 ILE HB . 34600 1
194 . 1 . 1 25 25 ILE HG13 H 1 1.481 0.00 . . . . . . A 108 ILE HG13 . 34600 1
195 . 1 . 1 25 25 ILE C C 13 176.166 0.01 . . . . . . A 108 ILE C . 34600 1
196 . 1 . 1 25 25 ILE CA C 13 61.237 0.15 . . . . . . A 108 ILE CA . 34600 1
197 . 1 . 1 25 25 ILE CB C 13 38.466 0.18 . . . . . . A 108 ILE CB . 34600 1
198 . 1 . 1 25 25 ILE N N 15 122.519 0.05 . . . . . . A 108 ILE N . 34600 1
199 . 1 . 1 26 26 GLN H H 1 8.463 0.00 . . . . . . A 109 GLN H . 34600 1
200 . 1 . 1 26 26 GLN HA H 1 4.370 0.01 . . . . . . A 109 GLN HA . 34600 1
201 . 1 . 1 26 26 GLN C C 13 175.330 0.01 . . . . . . A 109 GLN C . 34600 1
202 . 1 . 1 26 26 GLN CA C 13 55.170 0.08 . . . . . . A 109 GLN CA . 34600 1
203 . 1 . 1 26 26 GLN CB C 13 29.834 0.16 . . . . . . A 109 GLN CB . 34600 1
204 . 1 . 1 26 26 GLN N N 15 125.536 0.06 . . . . . . A 109 GLN N . 34600 1
205 . 1 . 1 27 27 ILE H H 1 8.272 0.00 . . . . . . A 110 ILE H . 34600 1
206 . 1 . 1 27 27 ILE HA H 1 4.179 0.01 . . . . . . A 110 ILE HA . 34600 1
207 . 1 . 1 27 27 ILE HB H 1 1.784 0.01 . . . . . . A 110 ILE HB . 34600 1
208 . 1 . 1 27 27 ILE C C 13 176.257 0.02 . . . . . . A 110 ILE C . 34600 1
209 . 1 . 1 27 27 ILE CA C 13 60.973 0.17 . . . . . . A 110 ILE CA . 34600 1
210 . 1 . 1 27 27 ILE CB C 13 38.306 0.16 . . . . . . A 110 ILE CB . 34600 1
211 . 1 . 1 27 27 ILE N N 15 123.627 0.06 . . . . . . A 110 ILE N . 34600 1
212 . 1 . 1 28 28 VAL H H 1 8.259 0.00 . . . . . . A 111 VAL H . 34600 1
213 . 1 . 1 28 28 VAL HA H 1 4.079 0.01 . . . . . . A 111 VAL HA . 34600 1
214 . 1 . 1 28 28 VAL HB H 1 1.991 0.01 . . . . . . A 111 VAL HB . 34600 1
215 . 1 . 1 28 28 VAL HG11 H 1 0.860 0.00 . . . . . . A 111 VAL HG11 . 34600 1
216 . 1 . 1 28 28 VAL HG12 H 1 0.860 0.00 . . . . . . A 111 VAL HG12 . 34600 1
217 . 1 . 1 28 28 VAL HG13 H 1 0.860 0.00 . . . . . . A 111 VAL HG13 . 34600 1
218 . 1 . 1 28 28 VAL C C 13 175.709 0.01 . . . . . . A 111 VAL C . 34600 1
219 . 1 . 1 28 28 VAL CA C 13 62.134 0.12 . . . . . . A 111 VAL CA . 34600 1
220 . 1 . 1 28 28 VAL CB C 13 32.858 0.12 . . . . . . A 111 VAL CB . 34600 1
221 . 1 . 1 28 28 VAL CG1 C 13 20.906 0.06 . . . . . . A 111 VAL CG1 . 34600 1
222 . 1 . 1 28 28 VAL N N 15 124.878 0.06 . . . . . . A 111 VAL N . 34600 1
223 . 1 . 1 29 29 ASN H H 1 8.500 0.01 . . . . . . A 112 ASN H . 34600 1
224 . 1 . 1 29 29 ASN HA H 1 4.656 0.00 . . . . . . A 112 ASN HA . 34600 1
225 . 1 . 1 29 29 ASN HB2 H 1 2.697 0.00 . . . . . . A 112 ASN HB2 . 34600 1
226 . 1 . 1 29 29 ASN HB3 H 1 2.792 0.00 . . . . . . A 112 ASN HB3 . 34600 1
227 . 1 . 1 29 29 ASN C C 13 175.132 0.01 . . . . . . A 112 ASN C . 34600 1
228 . 1 . 1 29 29 ASN CA C 13 53.196 0.16 . . . . . . A 112 ASN CA . 34600 1
229 . 1 . 1 29 29 ASN CB C 13 38.799 0.13 . . . . . . A 112 ASN CB . 34600 1
230 . 1 . 1 29 29 ASN N N 15 122.715 0.06 . . . . . . A 112 ASN N . 34600 1
231 . 1 . 1 30 30 GLN H H 1 8.413 0.00 . . . . . . A 113 GLN H . 34600 1
232 . 1 . 1 30 30 GLN HA H 1 4.250 0.00 . . . . . . A 113 GLN HA . 34600 1
233 . 1 . 1 30 30 GLN C C 13 175.607 0.00 . . . . . . A 113 GLN C . 34600 1
234 . 1 . 1 30 30 GLN CA C 13 55.936 0.13 . . . . . . A 113 GLN CA . 34600 1
235 . 1 . 1 30 30 GLN CB C 13 29.339 0.14 . . . . . . A 113 GLN CB . 34600 1
236 . 1 . 1 30 30 GLN N N 15 121.078 0.06 . . . . . . A 113 GLN N . 34600 1
237 . 1 . 1 31 31 ASN H H 1 8.405 0.01 . . . . . . A 114 ASN H . 34600 1
238 . 1 . 1 31 31 ASN HA H 1 4.618 0.00 . . . . . . A 114 ASN HA . 34600 1
239 . 1 . 1 31 31 ASN C C 13 174.630 0.03 . . . . . . A 114 ASN C . 34600 1
240 . 1 . 1 31 31 ASN CA C 13 53.172 0.15 . . . . . . A 114 ASN CA . 34600 1
241 . 1 . 1 31 31 ASN CB C 13 38.559 0.00 . . . . . . A 114 ASN CB . 34600 1
242 . 1 . 1 31 31 ASN N N 15 119.415 0.07 . . . . . . A 114 ASN N . 34600 1
243 . 1 . 1 32 32 LYS H H 1 8.085 0.01 . . . . . . A 115 LYS H . 34600 1
244 . 1 . 1 32 32 LYS HA H 1 4.555 0.00 . . . . . . A 115 LYS HA . 34600 1
245 . 1 . 1 32 32 LYS HB2 H 1 1.655 0.01 . . . . . . A 115 LYS HB2 . 34600 1
246 . 1 . 1 32 32 LYS HB3 H 1 1.776 0.01 . . . . . . A 115 LYS HB3 . 34600 1
247 . 1 . 1 32 32 LYS HG2 H 1 1.385 0.00 . . . . . . A 115 LYS HG2 . 34600 1
248 . 1 . 1 32 32 LYS HG3 H 1 1.419 0.01 . . . . . . A 115 LYS HG3 . 34600 1
249 . 1 . 1 32 32 LYS HD2 H 1 1.646 0.00 . . . . . . A 115 LYS HD2 . 34600 1
250 . 1 . 1 32 32 LYS HD3 H 1 1.646 0.00 . . . . . . A 115 LYS HD3 . 34600 1
251 . 1 . 1 32 32 LYS HE2 H 1 2.949 0.00 . . . . . . A 115 LYS HE2 . 34600 1
252 . 1 . 1 32 32 LYS HE3 H 1 2.949 0.00 . . . . . . A 115 LYS HE3 . 34600 1
253 . 1 . 1 32 32 LYS C C 13 174.198 0.00 . . . . . . A 115 LYS C . 34600 1
254 . 1 . 1 32 32 LYS CA C 13 54.237 0.06 . . . . . . A 115 LYS CA . 34600 1
255 . 1 . 1 32 32 LYS CB C 13 32.680 0.10 . . . . . . A 115 LYS CB . 34600 1
256 . 1 . 1 32 32 LYS CG C 13 24.597 0.05 . . . . . . A 115 LYS CG . 34600 1
257 . 1 . 1 32 32 LYS CD C 13 29.182 0.07 . . . . . . A 115 LYS CD . 34600 1
258 . 1 . 1 32 32 LYS CE C 13 42.014 0.02 . . . . . . A 115 LYS CE . 34600 1
259 . 1 . 1 32 32 LYS N N 15 122.566 0.05 . . . . . . A 115 LYS N . 34600 1
260 . 1 . 1 33 33 PRO HD2 H 1 3.592 0.00 . . . . . . A 116 PRO HD2 . 34600 1
261 . 1 . 1 33 33 PRO HD3 H 1 3.766 0.01 . . . . . . A 116 PRO HD3 . 34600 1
262 . 1 . 1 33 33 PRO C C 13 176.793 0.01 . . . . . . A 116 PRO C . 34600 1
263 . 1 . 1 33 33 PRO CA C 13 62.847 0.12 . . . . . . A 116 PRO CA . 34600 1
264 . 1 . 1 33 33 PRO CB C 13 31.935 0.19 . . . . . . A 116 PRO CB . 34600 1
265 . 1 . 1 33 33 PRO CD C 13 50.660 0.06 . . . . . . A 116 PRO CD . 34600 1
266 . 1 . 1 34 34 ILE H H 1 8.190 0.01 . . . . . . A 117 ILE H . 34600 1
267 . 1 . 1 34 34 ILE HA H 1 4.057 0.00 . . . . . . A 117 ILE HA . 34600 1
268 . 1 . 1 34 34 ILE C C 13 176.100 0.03 . . . . . . A 117 ILE C . 34600 1
269 . 1 . 1 34 34 ILE CA C 13 60.976 0.17 . . . . . . A 117 ILE CA . 34600 1
270 . 1 . 1 34 34 ILE CB C 13 38.754 0.16 . . . . . . A 117 ILE CB . 34600 1
271 . 1 . 1 34 34 ILE N N 15 121.376 0.10 . . . . . . A 117 ILE N . 34600 1
272 . 1 . 1 35 35 ALA H H 1 8.301 0.01 . . . . . . A 118 ALA H . 34600 1
273 . 1 . 1 35 35 ALA HA H 1 4.265 0.01 . . . . . . A 118 ALA HA . 34600 1
274 . 1 . 1 35 35 ALA HB1 H 1 1.333 0.00 . . . . . . A 118 ALA HB1 . 34600 1
275 . 1 . 1 35 35 ALA HB2 H 1 1.333 0.00 . . . . . . A 118 ALA HB2 . 34600 1
276 . 1 . 1 35 35 ALA HB3 H 1 1.333 0.00 . . . . . . A 118 ALA HB3 . 34600 1
277 . 1 . 1 35 35 ALA C C 13 177.329 0.01 . . . . . . A 118 ALA C . 34600 1
278 . 1 . 1 35 35 ALA CA C 13 52.148 0.09 . . . . . . A 118 ALA CA . 34600 1
279 . 1 . 1 35 35 ALA CB C 13 19.113 0.09 . . . . . . A 118 ALA CB . 34600 1
280 . 1 . 1 35 35 ALA N N 15 128.411 0.06 . . . . . . A 118 ALA N . 34600 1
281 . 1 . 1 36 36 ALA H H 1 8.259 0.01 . . . . . . A 119 ALA H . 34600 1
282 . 1 . 1 36 36 ALA HA H 1 4.195 0.00 . . . . . . A 119 ALA HA . 34600 1
283 . 1 . 1 36 36 ALA HB1 H 1 1.344 0.01 . . . . . . A 119 ALA HB1 . 34600 1
284 . 1 . 1 36 36 ALA HB2 H 1 1.344 0.01 . . . . . . A 119 ALA HB2 . 34600 1
285 . 1 . 1 36 36 ALA HB3 H 1 1.344 0.01 . . . . . . A 119 ALA HB3 . 34600 1
286 . 1 . 1 36 36 ALA C C 13 177.507 0.02 . . . . . . A 119 ALA C . 34600 1
287 . 1 . 1 36 36 ALA CA C 13 52.442 0.09 . . . . . . A 119 ALA CA . 34600 1
288 . 1 . 1 36 36 ALA CB C 13 19.080 0.09 . . . . . . A 119 ALA CB . 34600 1
289 . 1 . 1 36 36 ALA N N 15 123.650 0.04 . . . . . . A 119 ALA N . 34600 1
290 . 1 . 1 37 37 ASN H H 1 8.347 0.00 . . . . . . A 120 ASN H . 34600 1
291 . 1 . 1 37 37 ASN HA H 1 4.695 0.00 . . . . . . A 120 ASN HA . 34600 1
292 . 1 . 1 37 37 ASN HB2 H 1 2.772 0.00 . . . . . . A 120 ASN HB2 . 34600 1
293 . 1 . 1 37 37 ASN HB3 H 1 2.772 0.00 . . . . . . A 120 ASN HB3 . 34600 1
294 . 1 . 1 37 37 ASN C C 13 175.356 0.01 . . . . . . A 120 ASN C . 34600 1
295 . 1 . 1 37 37 ASN CA C 13 53.164 0.13 . . . . . . A 120 ASN CA . 34600 1
296 . 1 . 1 37 37 ASN CB C 13 38.635 0.16 . . . . . . A 120 ASN CB . 34600 1
297 . 1 . 1 37 37 ASN N N 15 117.388 0.08 . . . . . . A 120 ASN N . 34600 1
298 . 1 . 1 38 38 THR H H 1 8.012 0.01 . . . . . . A 121 THR H . 34600 1
299 . 1 . 1 38 38 THR HA H 1 4.295 0.00 . . . . . . A 121 THR HA . 34600 1
300 . 1 . 1 38 38 THR HB H 1 4.173 0.00 . . . . . . A 121 THR HB . 34600 1
301 . 1 . 1 38 38 THR HG21 H 1 1.143 0.01 . . . . . . A 121 THR HG21 . 34600 1
302 . 1 . 1 38 38 THR HG22 H 1 1.143 0.01 . . . . . . A 121 THR HG22 . 34600 1
303 . 1 . 1 38 38 THR HG23 H 1 1.143 0.01 . . . . . . A 121 THR HG23 . 34600 1
304 . 1 . 1 38 38 THR C C 13 174.538 0.05 . . . . . . A 121 THR C . 34600 1
305 . 1 . 1 38 38 THR CA C 13 61.909 0.14 . . . . . . A 121 THR CA . 34600 1
306 . 1 . 1 38 38 THR CB C 13 69.697 0.05 . . . . . . A 121 THR CB . 34600 1
307 . 1 . 1 38 38 THR N N 15 114.298 0.07 . . . . . . A 121 THR N . 34600 1
308 . 1 . 1 39 39 ILE H H 1 8.103 0.01 . . . . . . A 122 ILE H . 34600 1
309 . 1 . 1 39 39 ILE HA H 1 4.168 0.00 . . . . . . A 122 ILE HA . 34600 1
310 . 1 . 1 39 39 ILE HB H 1 1.847 0.00 . . . . . . A 122 ILE HB . 34600 1
311 . 1 . 1 39 39 ILE C C 13 176.135 0.01 . . . . . . A 122 ILE C . 34600 1
312 . 1 . 1 39 39 ILE CA C 13 61.135 0.15 . . . . . . A 122 ILE CA . 34600 1
313 . 1 . 1 39 39 ILE CB C 13 38.656 0.24 . . . . . . A 122 ILE CB . 34600 1
314 . 1 . 1 39 39 ILE N N 15 122.968 0.10 . . . . . . A 122 ILE N . 34600 1
315 . 1 . 1 40 40 SER H H 1 8.303 0.00 . . . . . . A 123 SER H . 34600 1
316 . 1 . 1 40 40 SER HA H 1 4.429 0.00 . . . . . . A 123 SER HA . 34600 1
317 . 1 . 1 40 40 SER HB2 H 1 3.708 0.00 . . . . . . A 123 SER HB2 . 34600 1
318 . 1 . 1 40 40 SER HB3 H 1 3.779 0.00 . . . . . . A 123 SER HB3 . 34600 1
319 . 1 . 1 40 40 SER C C 13 174.124 0.00 . . . . . . A 123 SER C . 34600 1
320 . 1 . 1 40 40 SER CA C 13 58.010 0.11 . . . . . . A 123 SER CA . 34600 1
321 . 1 . 1 40 40 SER CB C 13 63.826 0.13 . . . . . . A 123 SER CB . 34600 1
322 . 1 . 1 40 40 SER N N 15 119.532 0.03 . . . . . . A 123 SER N . 34600 1
323 . 1 . 1 41 41 ASN H H 1 8.357 0.01 . . . . . . A 124 ASN H . 34600 1
324 . 1 . 1 41 41 ASN HA H 1 4.683 0.01 . . . . . . A 124 ASN HA . 34600 1
325 . 1 . 1 41 41 ASN HB2 H 1 2.712 0.00 . . . . . . A 124 ASN HB2 . 34600 1
326 . 1 . 1 41 41 ASN HB3 H 1 2.712 0.00 . . . . . . A 124 ASN HB3 . 34600 1
327 . 1 . 1 41 41 ASN C C 13 174.573 0.01 . . . . . . A 124 ASN C . 34600 1
328 . 1 . 1 41 41 ASN CA C 13 53.048 0.00 . . . . . . A 124 ASN CA . 34600 1
329 . 1 . 1 41 41 ASN CB C 13 38.583 0.00 . . . . . . A 124 ASN CB . 34600 1
330 . 1 . 1 41 41 ASN N N 15 121.058 0.04 . . . . . . A 124 ASN N . 34600 1
331 . 1 . 1 42 42 ILE H H 1 7.923 0.01 . . . . . . A 125 ILE H . 34600 1
332 . 1 . 1 42 42 ILE HA H 1 4.092 0.01 . . . . . . A 125 ILE HA . 34600 1
333 . 1 . 1 42 42 ILE HB H 1 1.723 0.01 . . . . . . A 125 ILE HB . 34600 1
334 . 1 . 1 42 42 ILE HG12 H 1 0.988 0.01 . . . . . . A 125 ILE HG12 . 34600 1
335 . 1 . 1 42 42 ILE HG13 H 1 1.284 0.01 . . . . . . A 125 ILE HG13 . 34600 1
336 . 1 . 1 42 42 ILE HG21 H 1 0.642 0.00 . . . . . . A 125 ILE HG21 . 34600 1
337 . 1 . 1 42 42 ILE HG22 H 1 0.642 0.00 . . . . . . A 125 ILE HG22 . 34600 1
338 . 1 . 1 42 42 ILE HG23 H 1 0.642 0.00 . . . . . . A 125 ILE HG23 . 34600 1
339 . 1 . 1 42 42 ILE HD11 H 1 0.769 0.01 . . . . . . A 125 ILE HD11 . 34600 1
340 . 1 . 1 42 42 ILE HD12 H 1 0.769 0.01 . . . . . . A 125 ILE HD12 . 34600 1
341 . 1 . 1 42 42 ILE HD13 H 1 0.769 0.01 . . . . . . A 125 ILE HD13 . 34600 1
342 . 1 . 1 42 42 ILE C C 13 175.039 0.01 . . . . . . A 125 ILE C . 34600 1
343 . 1 . 1 42 42 ILE CA C 13 60.899 0.13 . . . . . . A 125 ILE CA . 34600 1
344 . 1 . 1 42 42 ILE CB C 13 38.811 0.15 . . . . . . A 125 ILE CB . 34600 1
345 . 1 . 1 42 42 ILE CG1 C 13 27.072 0.22 . . . . . . A 125 ILE CG1 . 34600 1
346 . 1 . 1 42 42 ILE CG2 C 13 17.741 0.04 . . . . . . A 125 ILE CG2 . 34600 1
347 . 1 . 1 42 42 ILE CD1 C 13 13.061 0.08 . . . . . . A 125 ILE CD1 . 34600 1
348 . 1 . 1 42 42 ILE N N 15 120.410 0.08 . . . . . . A 125 ILE N . 34600 1
349 . 1 . 1 43 43 SER H H 1 7.691 0.00 . . . . . . A 126 SER H . 34600 1
350 . 1 . 1 43 43 SER HA H 1 4.436 0.00 . . . . . . A 126 SER HA . 34600 1
351 . 1 . 1 43 43 SER HB2 H 1 3.504 0.01 . . . . . . A 126 SER HB2 . 34600 1
352 . 1 . 1 43 43 SER HB3 H 1 3.504 0.01 . . . . . . A 126 SER HB3 . 34600 1
353 . 1 . 1 43 43 SER C C 13 172.520 0.00 . . . . . . A 126 SER C . 34600 1
354 . 1 . 1 43 43 SER CA C 13 57.395 0.13 . . . . . . A 126 SER CA . 34600 1
355 . 1 . 1 43 43 SER CB C 13 64.981 0.10 . . . . . . A 126 SER CB . 34600 1
356 . 1 . 1 43 43 SER N N 15 118.187 0.08 . . . . . . A 126 SER N . 34600 1
357 . 1 . 1 44 44 PHE H H 1 8.766 0.01 . . . . . . A 127 PHE H . 34600 1
358 . 1 . 1 44 44 PHE HA H 1 4.592 0.01 . . . . . . A 127 PHE HA . 34600 1
359 . 1 . 1 44 44 PHE HB2 H 1 3.009 0.02 . . . . . . A 127 PHE HB2 . 34600 1
360 . 1 . 1 44 44 PHE HB3 H 1 2.837 0.01 . . . . . . A 127 PHE HB3 . 34600 1
361 . 1 . 1 44 44 PHE HD1 H 1 7.089 0.01 . . . . . . A 127 PHE HD1 . 34600 1
362 . 1 . 1 44 44 PHE HD2 H 1 7.089 0.01 . . . . . . A 127 PHE HD2 . 34600 1
363 . 1 . 1 44 44 PHE HE1 H 1 7.309 0.01 . . . . . . A 127 PHE HE1 . 34600 1
364 . 1 . 1 44 44 PHE HE2 H 1 7.309 0.01 . . . . . . A 127 PHE HE2 . 34600 1
365 . 1 . 1 44 44 PHE C C 13 174.364 0.02 . . . . . . A 127 PHE C . 34600 1
366 . 1 . 1 44 44 PHE CA C 13 57.439 0.13 . . . . . . A 127 PHE CA . 34600 1
367 . 1 . 1 44 44 PHE CB C 13 40.493 0.17 . . . . . . A 127 PHE CB . 34600 1
368 . 1 . 1 44 44 PHE CD1 C 13 129.086 0.14 . . . . . . A 127 PHE CD1 . 34600 1
369 . 1 . 1 44 44 PHE CE1 C 13 129.212 0.00 . . . . . . A 127 PHE CE1 . 34600 1
370 . 1 . 1 44 44 PHE N N 15 121.577 0.07 . . . . . . A 127 PHE N . 34600 1
371 . 1 . 1 45 45 LYS H H 1 8.640 0.00 . . . . . . A 128 LYS H . 34600 1
372 . 1 . 1 45 45 LYS HA H 1 4.918 0.01 . . . . . . A 128 LYS HA . 34600 1
373 . 1 . 1 45 45 LYS HB2 H 1 1.535 0.01 . . . . . . A 128 LYS HB2 . 34600 1
374 . 1 . 1 45 45 LYS HB3 H 1 1.753 0.01 . . . . . . A 128 LYS HB3 . 34600 1
375 . 1 . 1 45 45 LYS HG2 H 1 1.252 0.01 . . . . . . A 128 LYS HG2 . 34600 1
376 . 1 . 1 45 45 LYS HG3 H 1 1.252 0.01 . . . . . . A 128 LYS HG3 . 34600 1
377 . 1 . 1 45 45 LYS HD2 H 1 1.584 0.01 . . . . . . A 128 LYS HD2 . 34600 1
378 . 1 . 1 45 45 LYS HD3 H 1 1.584 0.01 . . . . . . A 128 LYS HD3 . 34600 1
379 . 1 . 1 45 45 LYS HE2 H 1 2.915 0.01 . . . . . . A 128 LYS HE2 . 34600 1
380 . 1 . 1 45 45 LYS HE3 H 1 2.915 0.01 . . . . . . A 128 LYS HE3 . 34600 1
381 . 1 . 1 45 45 LYS C C 13 175.709 0.00 . . . . . . A 128 LYS C . 34600 1
382 . 1 . 1 45 45 LYS CA C 13 55.228 0.11 . . . . . . A 128 LYS CA . 34600 1
383 . 1 . 1 45 45 LYS CB C 13 35.629 0.11 . . . . . . A 128 LYS CB . 34600 1
384 . 1 . 1 45 45 LYS CG C 13 24.535 0.07 . . . . . . A 128 LYS CG . 34600 1
385 . 1 . 1 45 45 LYS CD C 13 29.554 0.13 . . . . . . A 128 LYS CD . 34600 1
386 . 1 . 1 45 45 LYS CE C 13 41.787 0.01 . . . . . . A 128 LYS CE . 34600 1
387 . 1 . 1 45 45 LYS N N 15 125.333 0.06 . . . . . . A 128 LYS N . 34600 1
388 . 1 . 1 46 46 CYS H H 1 9.111 0.01 . . . . . . A 129 CYS H . 34600 1
389 . 1 . 1 46 46 CYS HA H 1 4.345 0.01 . . . . . . A 129 CYS HA . 34600 1
390 . 1 . 1 46 46 CYS HB2 H 1 3.359 0.01 . . . . . . A 129 CYS HB2 . 34600 1
391 . 1 . 1 46 46 CYS HB3 H 1 2.767 0.01 . . . . . . A 129 CYS HB3 . 34600 1
392 . 1 . 1 46 46 CYS C C 13 175.703 0.01 . . . . . . A 129 CYS C . 34600 1
393 . 1 . 1 46 46 CYS CA C 13 60.797 0.11 . . . . . . A 129 CYS CA . 34600 1
394 . 1 . 1 46 46 CYS CB C 13 29.431 0.11 . . . . . . A 129 CYS CB . 34600 1
395 . 1 . 1 46 46 CYS N N 15 128.229 0.06 . . . . . . A 129 CYS N . 34600 1
396 . 1 . 1 47 47 ASP H H 1 8.978 0.01 . . . . . . A 130 ASP H . 34600 1
397 . 1 . 1 47 47 ASP HA H 1 4.456 0.01 . . . . . . A 130 ASP HA . 34600 1
398 . 1 . 1 47 47 ASP HB2 H 1 2.744 0.01 . . . . . . A 130 ASP HB2 . 34600 1
399 . 1 . 1 47 47 ASP HB3 H 1 2.744 0.01 . . . . . . A 130 ASP HB3 . 34600 1
400 . 1 . 1 47 47 ASP C C 13 175.926 0.01 . . . . . . A 130 ASP C . 34600 1
401 . 1 . 1 47 47 ASP CA C 13 55.488 0.10 . . . . . . A 130 ASP CA . 34600 1
402 . 1 . 1 47 47 ASP CB C 13 39.975 0.12 . . . . . . A 130 ASP CB . 34600 1
403 . 1 . 1 47 47 ASP N N 15 128.928 0.10 . . . . . . A 130 ASP N . 34600 1
404 . 1 . 1 48 48 VAL H H 1 9.115 0.01 . . . . . . A 131 VAL H . 34600 1
405 . 1 . 1 48 48 VAL HA H 1 3.835 0.01 . . . . . . A 131 VAL HA . 34600 1
406 . 1 . 1 48 48 VAL HB H 1 1.262 0.01 . . . . . . A 131 VAL HB . 34600 1
407 . 1 . 1 48 48 VAL HG11 H 1 0.728 0.01 . . . . . . A 131 VAL HG11 . 34600 1
408 . 1 . 1 48 48 VAL HG12 H 1 0.728 0.01 . . . . . . A 131 VAL HG12 . 34600 1
409 . 1 . 1 48 48 VAL HG13 H 1 0.728 0.01 . . . . . . A 131 VAL HG13 . 34600 1
410 . 1 . 1 48 48 VAL HG21 H 1 0.292 0.01 . . . . . . A 131 VAL HG21 . 34600 1
411 . 1 . 1 48 48 VAL HG22 H 1 0.292 0.01 . . . . . . A 131 VAL HG22 . 34600 1
412 . 1 . 1 48 48 VAL HG23 H 1 0.292 0.01 . . . . . . A 131 VAL HG23 . 34600 1
413 . 1 . 1 48 48 VAL C C 13 176.901 0.00 . . . . . . A 131 VAL C . 34600 1
414 . 1 . 1 48 48 VAL CA C 13 64.788 0.09 . . . . . . A 131 VAL CA . 34600 1
415 . 1 . 1 48 48 VAL CB C 13 33.188 0.13 . . . . . . A 131 VAL CB . 34600 1
416 . 1 . 1 48 48 VAL CG1 C 13 21.248 0.13 . . . . . . A 131 VAL CG1 . 34600 1
417 . 1 . 1 48 48 VAL CG2 C 13 20.264 0.06 . . . . . . A 131 VAL CG2 . 34600 1
418 . 1 . 1 48 48 VAL N N 15 123.330 0.08 . . . . . . A 131 VAL N . 34600 1
419 . 1 . 1 49 49 CYS H H 1 8.205 0.01 . . . . . . A 132 CYS H . 34600 1
420 . 1 . 1 49 49 CYS HA H 1 5.104 0.00 . . . . . . A 132 CYS HA . 34600 1
421 . 1 . 1 49 49 CYS HB2 H 1 2.765 0.01 . . . . . . A 132 CYS HB2 . 34600 1
422 . 1 . 1 49 49 CYS HB3 H 1 3.441 0.03 . . . . . . A 132 CYS HB3 . 34600 1
423 . 1 . 1 49 49 CYS C C 13 175.463 0.03 . . . . . . A 132 CYS C . 34600 1
424 . 1 . 1 49 49 CYS CA C 13 58.272 0.10 . . . . . . A 132 CYS CA . 34600 1
425 . 1 . 1 49 49 CYS CB C 13 32.287 0.12 . . . . . . A 132 CYS CB . 34600 1
426 . 1 . 1 49 49 CYS N N 15 118.644 0.07 . . . . . . A 132 CYS N . 34600 1
427 . 1 . 1 50 50 SER H H 1 7.895 0.01 . . . . . . A 133 SER H . 34600 1
428 . 1 . 1 50 50 SER HA H 1 4.270 0.00 . . . . . . A 133 SER HA . 34600 1
429 . 1 . 1 50 50 SER HB2 H 1 3.977 0.00 . . . . . . A 133 SER HB2 . 34600 1
430 . 1 . 1 50 50 SER HB3 H 1 4.265 0.01 . . . . . . A 133 SER HB3 . 34600 1
431 . 1 . 1 50 50 SER C C 13 173.137 0.00 . . . . . . A 133 SER C . 34600 1
432 . 1 . 1 50 50 SER CA C 13 61.002 0.13 . . . . . . A 133 SER CA . 34600 1
433 . 1 . 1 50 50 SER CB C 13 62.184 0.13 . . . . . . A 133 SER CB . 34600 1
434 . 1 . 1 50 50 SER N N 15 113.431 0.06 . . . . . . A 133 SER N . 34600 1
435 . 1 . 1 51 51 ASP H H 1 8.347 0.01 . . . . . . A 134 ASP H . 34600 1
436 . 1 . 1 51 51 ASP HA H 1 4.339 0.01 . . . . . . A 134 ASP HA . 34600 1
437 . 1 . 1 51 51 ASP HB2 H 1 2.037 0.01 . . . . . . A 134 ASP HB2 . 34600 1
438 . 1 . 1 51 51 ASP HB3 H 1 2.336 0.01 . . . . . . A 134 ASP HB3 . 34600 1
439 . 1 . 1 51 51 ASP C C 13 174.210 0.02 . . . . . . A 134 ASP C . 34600 1
440 . 1 . 1 51 51 ASP CA C 13 55.750 0.14 . . . . . . A 134 ASP CA . 34600 1
441 . 1 . 1 51 51 ASP CB C 13 41.069 0.11 . . . . . . A 134 ASP CB . 34600 1
442 . 1 . 1 51 51 ASP N N 15 124.438 0.07 . . . . . . A 134 ASP N . 34600 1
443 . 1 . 1 52 52 MET H H 1 7.745 0.01 . . . . . . A 135 MET H . 34600 1
444 . 1 . 1 52 52 MET HA H 1 5.083 0.01 . . . . . . A 135 MET HA . 34600 1
445 . 1 . 1 52 52 MET HB2 H 1 1.669 0.02 . . . . . . A 135 MET HB2 . 34600 1
446 . 1 . 1 52 52 MET HB3 H 1 1.720 0.01 . . . . . . A 135 MET HB3 . 34600 1
447 . 1 . 1 52 52 MET HG2 H 1 2.433 0.01 . . . . . . A 135 MET HG2 . 34600 1
448 . 1 . 1 52 52 MET HG3 H 1 2.282 0.00 . . . . . . A 135 MET HG3 . 34600 1
449 . 1 . 1 52 52 MET C C 13 175.142 0.02 . . . . . . A 135 MET C . 34600 1
450 . 1 . 1 52 52 MET CA C 13 53.796 0.12 . . . . . . A 135 MET CA . 34600 1
451 . 1 . 1 52 52 MET CB C 13 35.975 0.13 . . . . . . A 135 MET CB . 34600 1
452 . 1 . 1 52 52 MET CG C 13 31.742 0.09 . . . . . . A 135 MET CG . 34600 1
453 . 1 . 1 52 52 MET N N 15 116.688 0.07 . . . . . . A 135 MET N . 34600 1
454 . 1 . 1 53 53 PHE H H 1 8.712 0.01 . . . . . . A 136 PHE H . 34600 1
455 . 1 . 1 53 53 PHE HA H 1 4.832 0.01 . . . . . . A 136 PHE HA . 34600 1
456 . 1 . 1 53 53 PHE HB2 H 1 3.077 0.01 . . . . . . A 136 PHE HB2 . 34600 1
457 . 1 . 1 53 53 PHE HB3 H 1 2.624 0.02 . . . . . . A 136 PHE HB3 . 34600 1
458 . 1 . 1 53 53 PHE HD1 H 1 7.139 0.01 . . . . . . A 136 PHE HD1 . 34600 1
459 . 1 . 1 53 53 PHE HD2 H 1 7.139 0.01 . . . . . . A 136 PHE HD2 . 34600 1
460 . 1 . 1 53 53 PHE HE1 H 1 6.801 0.02 . . . . . . A 136 PHE HE1 . 34600 1
461 . 1 . 1 53 53 PHE HE2 H 1 6.801 0.02 . . . . . . A 136 PHE HE2 . 34600 1
462 . 1 . 1 53 53 PHE HZ H 1 6.291 0.01 . . . . . . A 136 PHE HZ . 34600 1
463 . 1 . 1 53 53 PHE C C 13 175.522 0.00 . . . . . . A 136 PHE C . 34600 1
464 . 1 . 1 53 53 PHE CA C 13 55.786 0.15 . . . . . . A 136 PHE CA . 34600 1
465 . 1 . 1 53 53 PHE CB C 13 43.618 0.09 . . . . . . A 136 PHE CB . 34600 1
466 . 1 . 1 53 53 PHE CD1 C 13 129.534 0.19 . . . . . . A 136 PHE CD1 . 34600 1
467 . 1 . 1 53 53 PHE CE1 C 13 127.381 0.40 . . . . . . A 136 PHE CE1 . 34600 1
468 . 1 . 1 53 53 PHE N N 15 117.353 0.08 . . . . . . A 136 PHE N . 34600 1
469 . 1 . 1 54 54 PRO HA H 1 4.762 0.01 . . . . . . A 137 PRO HA . 34600 1
470 . 1 . 1 54 54 PRO HB2 H 1 2.254 0.01 . . . . . . A 137 PRO HB2 . 34600 1
471 . 1 . 1 54 54 PRO HB3 H 1 1.835 0.01 . . . . . . A 137 PRO HB3 . 34600 1
472 . 1 . 1 54 54 PRO HG2 H 1 1.938 0.00 . . . . . . A 137 PRO HG2 . 34600 1
473 . 1 . 1 54 54 PRO HG3 H 1 2.164 0.01 . . . . . . A 137 PRO HG3 . 34600 1
474 . 1 . 1 54 54 PRO HD2 H 1 3.873 0.02 . . . . . . A 137 PRO HD2 . 34600 1
475 . 1 . 1 54 54 PRO HD3 H 1 3.873 0.02 . . . . . . A 137 PRO HD3 . 34600 1
476 . 1 . 1 54 54 PRO C C 13 175.174 0.00 . . . . . . A 137 PRO C . 34600 1
477 . 1 . 1 54 54 PRO CA C 13 63.720 0.13 . . . . . . A 137 PRO CA . 34600 1
478 . 1 . 1 54 54 PRO CB C 13 32.375 0.19 . . . . . . A 137 PRO CB . 34600 1
479 . 1 . 1 54 54 PRO CG C 13 27.104 0.10 . . . . . . A 137 PRO CG . 34600 1
480 . 1 . 1 54 54 PRO CD C 13 51.092 0.05 . . . . . . A 137 PRO CD . 34600 1
481 . 1 . 1 55 55 HIS H H 1 6.618 0.01 . . . . . . A 138 HIS H . 34600 1
482 . 1 . 1 55 55 HIS HA H 1 4.781 0.02 . . . . . . A 138 HIS HA . 34600 1
483 . 1 . 1 55 55 HIS HB2 H 1 3.166 0.01 . . . . . . A 138 HIS HB2 . 34600 1
484 . 1 . 1 55 55 HIS HB3 H 1 2.804 0.01 . . . . . . A 138 HIS HB3 . 34600 1
485 . 1 . 1 55 55 HIS HD2 H 1 7.070 0.01 . . . . . . A 138 HIS HD2 . 34600 1
486 . 1 . 1 55 55 HIS HE1 H 1 7.838 0.00 . . . . . . A 138 HIS HE1 . 34600 1
487 . 1 . 1 55 55 HIS C C 13 175.281 0.02 . . . . . . A 138 HIS C . 34600 1
488 . 1 . 1 55 55 HIS CA C 13 54.645 0.14 . . . . . . A 138 HIS CA . 34600 1
489 . 1 . 1 55 55 HIS CB C 13 34.671 0.17 . . . . . . A 138 HIS CB . 34600 1
490 . 1 . 1 55 55 HIS CD2 C 13 116.862 0.00 . . . . . . A 138 HIS CD2 . 34600 1
491 . 1 . 1 55 55 HIS N N 15 111.583 0.13 . . . . . . A 138 HIS N . 34600 1
492 . 1 . 1 55 55 HIS ND1 N 15 168.900 0.00 . . . . . . A 138 HIS ND1 . 34600 1
493 . 1 . 1 55 55 HIS NE2 N 15 172.469 0.02 . . . . . . A 138 HIS NE2 . 34600 1
494 . 1 . 1 56 56 LEU H H 1 8.358 0.01 . . . . . . A 139 LEU H . 34600 1
495 . 1 . 1 56 56 LEU HA H 1 3.186 0.01 . . . . . . A 139 LEU HA . 34600 1
496 . 1 . 1 56 56 LEU HB2 H 1 0.859 0.00 . . . . . . A 139 LEU HB2 . 34600 1
497 . 1 . 1 56 56 LEU HB3 H 1 1.320 0.01 . . . . . . A 139 LEU HB3 . 34600 1
498 . 1 . 1 56 56 LEU HG H 1 1.177 0.01 . . . . . . A 139 LEU HG . 34600 1
499 . 1 . 1 56 56 LEU HD11 H 1 0.747 0.01 . . . . . . A 139 LEU HD11 . 34600 1
500 . 1 . 1 56 56 LEU HD12 H 1 0.747 0.01 . . . . . . A 139 LEU HD12 . 34600 1
501 . 1 . 1 56 56 LEU HD13 H 1 0.747 0.01 . . . . . . A 139 LEU HD13 . 34600 1
502 . 1 . 1 56 56 LEU HD21 H 1 0.723 0.00 . . . . . . A 139 LEU HD21 . 34600 1
503 . 1 . 1 56 56 LEU HD22 H 1 0.723 0.00 . . . . . . A 139 LEU HD22 . 34600 1
504 . 1 . 1 56 56 LEU HD23 H 1 0.723 0.00 . . . . . . A 139 LEU HD23 . 34600 1
505 . 1 . 1 56 56 LEU C C 13 178.114 0.01 . . . . . . A 139 LEU C . 34600 1
506 . 1 . 1 56 56 LEU CA C 13 57.802 0.10 . . . . . . A 139 LEU CA . 34600 1
507 . 1 . 1 56 56 LEU CB C 13 41.489 0.09 . . . . . . A 139 LEU CB . 34600 1
508 . 1 . 1 56 56 LEU CG C 13 26.572 0.00 . . . . . . A 139 LEU CG . 34600 1
509 . 1 . 1 56 56 LEU CD1 C 13 23.157 0.05 . . . . . . A 139 LEU CD1 . 34600 1
510 . 1 . 1 56 56 LEU CD2 C 13 25.232 0.07 . . . . . . A 139 LEU CD2 . 34600 1
511 . 1 . 1 56 56 LEU N N 15 128.652 0.06 . . . . . . A 139 LEU N . 34600 1
512 . 1 . 1 57 57 ALA H H 1 9.426 0.01 . . . . . . A 140 ALA H . 34600 1
513 . 1 . 1 57 57 ALA HA H 1 4.727 0.00 . . . . . . A 140 ALA HA . 34600 1
514 . 1 . 1 57 57 ALA HB1 H 1 1.381 0.02 . . . . . . A 140 ALA HB1 . 34600 1
515 . 1 . 1 57 57 ALA HB2 H 1 1.381 0.02 . . . . . . A 140 ALA HB2 . 34600 1
516 . 1 . 1 57 57 ALA HB3 H 1 1.381 0.02 . . . . . . A 140 ALA HB3 . 34600 1
517 . 1 . 1 57 57 ALA C C 13 181.379 0.02 . . . . . . A 140 ALA C . 34600 1
518 . 1 . 1 57 57 ALA CA C 13 55.222 0.07 . . . . . . A 140 ALA CA . 34600 1
519 . 1 . 1 57 57 ALA CB C 13 17.897 0.10 . . . . . . A 140 ALA CB . 34600 1
520 . 1 . 1 57 57 ALA N N 15 120.251 0.06 . . . . . . A 140 ALA N . 34600 1
521 . 1 . 1 58 58 LEU H H 1 6.806 0.01 . . . . . . A 141 LEU H . 34600 1
522 . 1 . 1 58 58 LEU HA H 1 4.065 0.01 . . . . . . A 141 LEU HA . 34600 1
523 . 1 . 1 58 58 LEU HB2 H 1 1.620 0.01 . . . . . . A 141 LEU HB2 . 34600 1
524 . 1 . 1 58 58 LEU HB3 H 1 1.853 0.01 . . . . . . A 141 LEU HB3 . 34600 1
525 . 1 . 1 58 58 LEU HG H 1 1.711 0.01 . . . . . . A 141 LEU HG . 34600 1
526 . 1 . 1 58 58 LEU HD11 H 1 1.137 0.01 . . . . . . A 141 LEU HD11 . 34600 1
527 . 1 . 1 58 58 LEU HD12 H 1 1.137 0.01 . . . . . . A 141 LEU HD12 . 34600 1
528 . 1 . 1 58 58 LEU HD13 H 1 1.137 0.01 . . . . . . A 141 LEU HD13 . 34600 1
529 . 1 . 1 58 58 LEU HD21 H 1 0.925 0.00 . . . . . . A 141 LEU HD21 . 34600 1
530 . 1 . 1 58 58 LEU HD22 H 1 0.925 0.00 . . . . . . A 141 LEU HD22 . 34600 1
531 . 1 . 1 58 58 LEU HD23 H 1 0.925 0.00 . . . . . . A 141 LEU HD23 . 34600 1
532 . 1 . 1 58 58 LEU C C 13 179.280 0.02 . . . . . . A 141 LEU C . 34600 1
533 . 1 . 1 58 58 LEU CA C 13 56.654 0.10 . . . . . . A 141 LEU CA . 34600 1
534 . 1 . 1 58 58 LEU CB C 13 42.051 0.12 . . . . . . A 141 LEU CB . 34600 1
535 . 1 . 1 58 58 LEU CG C 13 27.412 0.09 . . . . . . A 141 LEU CG . 34600 1
536 . 1 . 1 58 58 LEU CD1 C 13 26.287 0.04 . . . . . . A 141 LEU CD1 . 34600 1
537 . 1 . 1 58 58 LEU CD2 C 13 22.388 0.03 . . . . . . A 141 LEU CD2 . 34600 1
538 . 1 . 1 58 58 LEU N N 15 115.750 0.10 . . . . . . A 141 LEU N . 34600 1
539 . 1 . 1 59 59 LEU H H 1 7.031 0.01 . . . . . . A 142 LEU H . 34600 1
540 . 1 . 1 59 59 LEU HA H 1 3.232 0.01 . . . . . . A 142 LEU HA . 34600 1
541 . 1 . 1 59 59 LEU HB2 H 1 1.970 0.01 . . . . . . A 142 LEU HB2 . 34600 1
542 . 1 . 1 59 59 LEU HB3 H 1 1.276 0.01 . . . . . . A 142 LEU HB3 . 34600 1
543 . 1 . 1 59 59 LEU HG H 1 1.500 0.01 . . . . . . A 142 LEU HG . 34600 1
544 . 1 . 1 59 59 LEU HD11 H 1 0.978 0.01 . . . . . . A 142 LEU HD11 . 34600 1
545 . 1 . 1 59 59 LEU HD12 H 1 0.978 0.01 . . . . . . A 142 LEU HD12 . 34600 1
546 . 1 . 1 59 59 LEU HD13 H 1 0.978 0.01 . . . . . . A 142 LEU HD13 . 34600 1
547 . 1 . 1 59 59 LEU HD21 H 1 0.984 0.00 . . . . . . A 142 LEU HD21 . 34600 1
548 . 1 . 1 59 59 LEU HD22 H 1 0.984 0.00 . . . . . . A 142 LEU HD22 . 34600 1
549 . 1 . 1 59 59 LEU HD23 H 1 0.984 0.00 . . . . . . A 142 LEU HD23 . 34600 1
550 . 1 . 1 59 59 LEU C C 13 177.786 0.01 . . . . . . A 142 LEU C . 34600 1
551 . 1 . 1 59 59 LEU CA C 13 57.718 0.14 . . . . . . A 142 LEU CA . 34600 1
552 . 1 . 1 59 59 LEU CB C 13 40.122 0.13 . . . . . . A 142 LEU CB . 34600 1
553 . 1 . 1 59 59 LEU CG C 13 27.724 0.13 . . . . . . A 142 LEU CG . 34600 1
554 . 1 . 1 59 59 LEU CD1 C 13 22.848 0.08 . . . . . . A 142 LEU CD1 . 34600 1
555 . 1 . 1 59 59 LEU CD2 C 13 26.464 0.04 . . . . . . A 142 LEU CD2 . 34600 1
556 . 1 . 1 59 59 LEU N N 15 122.104 0.08 . . . . . . A 142 LEU N . 34600 1
557 . 1 . 1 60 60 ASN H H 1 8.533 0.01 . . . . . . A 143 ASN H . 34600 1
558 . 1 . 1 60 60 ASN HA H 1 4.295 0.00 . . . . . . A 143 ASN HA . 34600 1
559 . 1 . 1 60 60 ASN HB2 H 1 2.653 0.01 . . . . . . A 143 ASN HB2 . 34600 1
560 . 1 . 1 60 60 ASN HB3 H 1 2.653 0.01 . . . . . . A 143 ASN HB3 . 34600 1
561 . 1 . 1 60 60 ASN C C 13 178.108 0.01 . . . . . . A 143 ASN C . 34600 1
562 . 1 . 1 60 60 ASN CA C 13 55.911 0.14 . . . . . . A 143 ASN CA . 34600 1
563 . 1 . 1 60 60 ASN CB C 13 37.057 0.11 . . . . . . A 143 ASN CB . 34600 1
564 . 1 . 1 60 60 ASN N N 15 117.812 0.09 . . . . . . A 143 ASN N . 34600 1
565 . 1 . 1 61 61 ALA H H 1 7.462 0.05 . . . . . . A 144 ALA H . 34600 1
566 . 1 . 1 61 61 ALA HA H 1 4.028 0.01 . . . . . . A 144 ALA HA . 34600 1
567 . 1 . 1 61 61 ALA HB1 H 1 1.375 0.00 . . . . . . A 144 ALA HB1 . 34600 1
568 . 1 . 1 61 61 ALA HB2 H 1 1.375 0.00 . . . . . . A 144 ALA HB2 . 34600 1
569 . 1 . 1 61 61 ALA HB3 H 1 1.375 0.00 . . . . . . A 144 ALA HB3 . 34600 1
570 . 1 . 1 61 61 ALA C C 13 179.812 0.01 . . . . . . A 144 ALA C . 34600 1
571 . 1 . 1 61 61 ALA CA C 13 54.938 0.20 . . . . . . A 144 ALA CA . 34600 1
572 . 1 . 1 61 61 ALA CB C 13 17.979 0.10 . . . . . . A 144 ALA CB . 34600 1
573 . 1 . 1 61 61 ALA N N 15 121.531 0.07 . . . . . . A 144 ALA N . 34600 1
574 . 1 . 1 62 62 HIS H H 1 7.442 0.01 . . . . . . A 145 HIS H . 34600 1
575 . 1 . 1 62 62 HIS HA H 1 4.105 0.00 . . . . . . A 145 HIS HA . 34600 1
576 . 1 . 1 62 62 HIS HB2 H 1 3.032 0.01 . . . . . . A 145 HIS HB2 . 34600 1
577 . 1 . 1 62 62 HIS HB3 H 1 2.696 0.01 . . . . . . A 145 HIS HB3 . 34600 1
578 . 1 . 1 62 62 HIS HD2 H 1 6.842 0.02 . . . . . . A 145 HIS HD2 . 34600 1
579 . 1 . 1 62 62 HIS HE1 H 1 8.037 0.00 . . . . . . A 145 HIS HE1 . 34600 1
580 . 1 . 1 62 62 HIS C C 13 177.009 0.02 . . . . . . A 145 HIS C . 34600 1
581 . 1 . 1 62 62 HIS CA C 13 59.015 0.14 . . . . . . A 145 HIS CA . 34600 1
582 . 1 . 1 62 62 HIS CB C 13 28.151 0.11 . . . . . . A 145 HIS CB . 34600 1
583 . 1 . 1 62 62 HIS CD2 C 13 123.822 0.09 . . . . . . A 145 HIS CD2 . 34600 1
584 . 1 . 1 62 62 HIS N N 15 118.833 0.11 . . . . . . A 145 HIS N . 34600 1
585 . 1 . 1 62 62 HIS ND1 N 15 172.331 0.03 . . . . . . A 145 HIS ND1 . 34600 1
586 . 1 . 1 62 62 HIS NE2 N 15 214.858 0.01 . . . . . . A 145 HIS NE2 . 34600 1
587 . 1 . 1 63 63 LYS H H 1 8.422 0.01 . . . . . . A 146 LYS H . 34600 1
588 . 1 . 1 63 63 LYS HA H 1 3.672 0.01 . . . . . . A 146 LYS HA . 34600 1
589 . 1 . 1 63 63 LYS HB2 H 1 1.985 0.00 . . . . . . A 146 LYS HB2 . 34600 1
590 . 1 . 1 63 63 LYS HB3 H 1 1.921 0.01 . . . . . . A 146 LYS HB3 . 34600 1
591 . 1 . 1 63 63 LYS HG2 H 1 1.827 0.01 . . . . . . A 146 LYS HG2 . 34600 1
592 . 1 . 1 63 63 LYS HG3 H 1 1.932 0.00 . . . . . . A 146 LYS HG3 . 34600 1
593 . 1 . 1 63 63 LYS HD2 H 1 1.872 0.01 . . . . . . A 146 LYS HD2 . 34600 1
594 . 1 . 1 63 63 LYS HD3 H 1 1.872 0.01 . . . . . . A 146 LYS HD3 . 34600 1
595 . 1 . 1 63 63 LYS HE2 H 1 3.055 0.01 . . . . . . A 146 LYS HE2 . 34600 1
596 . 1 . 1 63 63 LYS HE3 H 1 3.163 0.01 . . . . . . A 146 LYS HE3 . 34600 1
597 . 1 . 1 63 63 LYS C C 13 178.452 0.04 . . . . . . A 146 LYS C . 34600 1
598 . 1 . 1 63 63 LYS CA C 13 60.177 0.09 . . . . . . A 146 LYS CA . 34600 1
599 . 1 . 1 63 63 LYS CB C 13 31.835 0.12 . . . . . . A 146 LYS CB . 34600 1
600 . 1 . 1 63 63 LYS CG C 13 26.552 0.03 . . . . . . A 146 LYS CG . 34600 1
601 . 1 . 1 63 63 LYS CD C 13 29.468 0.03 . . . . . . A 146 LYS CD . 34600 1
602 . 1 . 1 63 63 LYS CE C 13 41.490 0.09 . . . . . . A 146 LYS CE . 34600 1
603 . 1 . 1 63 63 LYS N N 15 117.137 0.08 . . . . . . A 146 LYS N . 34600 1
604 . 1 . 1 64 64 ARG H H 1 7.088 0.01 . . . . . . A 147 ARG H . 34600 1
605 . 1 . 1 64 64 ARG HA H 1 4.088 0.01 . . . . . . A 147 ARG HA . 34600 1
606 . 1 . 1 64 64 ARG HB3 H 1 1.761 0.00 . . . . . . A 147 ARG HB3 . 34600 1
607 . 1 . 1 64 64 ARG HG2 H 1 1.758 0.01 . . . . . . A 147 ARG HG2 . 34600 1
608 . 1 . 1 64 64 ARG HG3 H 1 1.648 0.01 . . . . . . A 147 ARG HG3 . 34600 1
609 . 1 . 1 64 64 ARG HD2 H 1 3.164 0.01 . . . . . . A 147 ARG HD2 . 34600 1
610 . 1 . 1 64 64 ARG HD3 H 1 3.164 0.01 . . . . . . A 147 ARG HD3 . 34600 1
611 . 1 . 1 64 64 ARG HE H 1 7.250 0.01 . . . . . . A 147 ARG HE . 34600 1
612 . 1 . 1 64 64 ARG C C 13 177.662 0.03 . . . . . . A 147 ARG C . 34600 1
613 . 1 . 1 64 64 ARG CA C 13 58.097 0.15 . . . . . . A 147 ARG CA . 34600 1
614 . 1 . 1 64 64 ARG CB C 13 29.708 0.21 . . . . . . A 147 ARG CB . 34600 1
615 . 1 . 1 64 64 ARG CG C 13 27.247 0.09 . . . . . . A 147 ARG CG . 34600 1
616 . 1 . 1 64 64 ARG CD C 13 43.255 0.03 . . . . . . A 147 ARG CD . 34600 1
617 . 1 . 1 64 64 ARG N N 15 117.566 0.07 . . . . . . A 147 ARG N . 34600 1
618 . 1 . 1 64 64 ARG NE N 15 86.981 0.01 . . . . . . A 147 ARG NE . 34600 1
619 . 1 . 1 65 65 MET H H 1 7.714 0.01 . . . . . . A 148 MET H . 34600 1
620 . 1 . 1 65 65 MET HA H 1 4.157 0.01 . . . . . . A 148 MET HA . 34600 1
621 . 1 . 1 65 65 MET HB2 H 1 1.760 0.01 . . . . . . A 148 MET HB2 . 34600 1
622 . 1 . 1 65 65 MET HB3 H 1 1.760 0.01 . . . . . . A 148 MET HB3 . 34600 1
623 . 1 . 1 65 65 MET HG2 H 1 2.184 0.00 . . . . . . A 148 MET HG2 . 34600 1
624 . 1 . 1 65 65 MET HG3 H 1 2.184 0.00 . . . . . . A 148 MET HG3 . 34600 1
625 . 1 . 1 65 65 MET C C 13 177.488 0.00 . . . . . . A 148 MET C . 34600 1
626 . 1 . 1 65 65 MET CA C 13 56.911 0.17 . . . . . . A 148 MET CA . 34600 1
627 . 1 . 1 65 65 MET CB C 13 31.399 0.20 . . . . . . A 148 MET CB . 34600 1
628 . 1 . 1 65 65 MET CG C 13 31.017 0.05 . . . . . . A 148 MET CG . 34600 1
629 . 1 . 1 65 65 MET N N 15 116.100 0.07 . . . . . . A 148 MET N . 34600 1
630 . 1 . 1 66 66 HIS H H 1 7.279 0.01 . . . . . . A 149 HIS H . 34600 1
631 . 1 . 1 66 66 HIS HA H 1 4.844 0.01 . . . . . . A 149 HIS HA . 34600 1
632 . 1 . 1 66 66 HIS HB2 H 1 3.291 0.01 . . . . . . A 149 HIS HB2 . 34600 1
633 . 1 . 1 66 66 HIS HB3 H 1 3.261 0.01 . . . . . . A 149 HIS HB3 . 34600 1
634 . 1 . 1 66 66 HIS HD2 H 1 6.632 0.01 . . . . . . A 149 HIS HD2 . 34600 1
635 . 1 . 1 66 66 HIS HE1 H 1 8.063 0.01 . . . . . . A 149 HIS HE1 . 34600 1
636 . 1 . 1 66 66 HIS C C 13 175.352 0.01 . . . . . . A 149 HIS C . 34600 1
637 . 1 . 1 66 66 HIS CA C 13 55.195 0.08 . . . . . . A 149 HIS CA . 34600 1
638 . 1 . 1 66 66 HIS CB C 13 28.610 0.16 . . . . . . A 149 HIS CB . 34600 1
639 . 1 . 1 66 66 HIS CD2 C 13 124.350 0.25 . . . . . . A 149 HIS CD2 . 34600 1
640 . 1 . 1 66 66 HIS N N 15 116.026 0.11 . . . . . . A 149 HIS N . 34600 1
641 . 1 . 1 66 66 HIS ND1 N 15 170.131 0.12 . . . . . . A 149 HIS ND1 . 34600 1
642 . 1 . 1 66 66 HIS NE2 N 15 212.881 0.02 . . . . . . A 149 HIS NE2 . 34600 1
643 . 1 . 1 67 67 THR H H 1 7.773 0.00 . . . . . . A 150 THR H . 34600 1
644 . 1 . 1 67 67 THR HA H 1 4.373 0.00 . . . . . . A 150 THR HA . 34600 1
645 . 1 . 1 67 67 THR HB H 1 4.250 0.02 . . . . . . A 150 THR HB . 34600 1
646 . 1 . 1 67 67 THR HG21 H 1 1.167 0.01 . . . . . . A 150 THR HG21 . 34600 1
647 . 1 . 1 67 67 THR HG22 H 1 1.167 0.01 . . . . . . A 150 THR HG22 . 34600 1
648 . 1 . 1 67 67 THR HG23 H 1 1.167 0.01 . . . . . . A 150 THR HG23 . 34600 1
649 . 1 . 1 67 67 THR C C 13 174.476 0.01 . . . . . . A 150 THR C . 34600 1
650 . 1 . 1 67 67 THR CA C 13 61.878 0.13 . . . . . . A 150 THR CA . 34600 1
651 . 1 . 1 67 67 THR CB C 13 69.776 0.08 . . . . . . A 150 THR CB . 34600 1
652 . 1 . 1 67 67 THR CG2 C 13 21.526 0.00 . . . . . . A 150 THR CG2 . 34600 1
653 . 1 . 1 67 67 THR N N 15 112.709 0.09 . . . . . . A 150 THR N . 34600 1
654 . 1 . 1 68 68 ASP H H 1 8.375 0.00 . . . . . . A 151 ASP H . 34600 1
655 . 1 . 1 68 68 ASP HA H 1 4.620 0.00 . . . . . . A 151 ASP HA . 34600 1
656 . 1 . 1 68 68 ASP HB2 H 1 2.641 0.01 . . . . . . A 151 ASP HB2 . 34600 1
657 . 1 . 1 68 68 ASP HB3 H 1 2.641 0.01 . . . . . . A 151 ASP HB3 . 34600 1
658 . 1 . 1 68 68 ASP C C 13 176.549 0.01 . . . . . . A 151 ASP C . 34600 1
659 . 1 . 1 68 68 ASP CA C 13 54.705 0.19 . . . . . . A 151 ASP CA . 34600 1
660 . 1 . 1 68 68 ASP CB C 13 40.966 0.16 . . . . . . A 151 ASP CB . 34600 1
661 . 1 . 1 68 68 ASP N N 15 122.425 0.07 . . . . . . A 151 ASP N . 34600 1
662 . 1 . 1 69 69 GLY H H 1 8.165 0.01 . . . . . . A 152 GLY H . 34600 1
663 . 1 . 1 69 69 GLY HA2 H 1 3.914 0.00 . . . . . . A 152 GLY HA2 . 34600 1
664 . 1 . 1 69 69 GLY HA3 H 1 3.914 0.00 . . . . . . A 152 GLY HA3 . 34600 1
665 . 1 . 1 69 69 GLY C C 13 173.315 0.01 . . . . . . A 152 GLY C . 34600 1
666 . 1 . 1 69 69 GLY CA C 13 45.335 0.13 . . . . . . A 152 GLY CA . 34600 1
667 . 1 . 1 69 69 GLY N N 15 109.190 0.06 . . . . . . A 152 GLY N . 34600 1
668 . 1 . 1 70 70 GLU H H 1 7.804 0.00 . . . . . . A 153 GLU H . 34600 1
669 . 1 . 1 70 70 GLU HA H 1 4.085 0.00 . . . . . . A 153 GLU HA . 34600 1
670 . 1 . 1 70 70 GLU HB2 H 1 1.851 0.01 . . . . . . A 153 GLU HB2 . 34600 1
671 . 1 . 1 70 70 GLU HB3 H 1 2.014 0.00 . . . . . . A 153 GLU HB3 . 34600 1
672 . 1 . 1 70 70 GLU HG2 H 1 2.159 0.00 . . . . . . A 153 GLU HG2 . 34600 1
673 . 1 . 1 70 70 GLU HG3 H 1 2.159 0.00 . . . . . . A 153 GLU HG3 . 34600 1
674 . 1 . 1 70 70 GLU C C 13 181.221 0.00 . . . . . . A 153 GLU C . 34600 1
675 . 1 . 1 70 70 GLU CA C 13 57.930 0.06 . . . . . . A 153 GLU CA . 34600 1
676 . 1 . 1 70 70 GLU CB C 13 31.146 0.11 . . . . . . A 153 GLU CB . 34600 1
677 . 1 . 1 70 70 GLU CG C 13 36.677 0.08 . . . . . . A 153 GLU CG . 34600 1
678 . 1 . 1 70 70 GLU N N 15 125.431 0.06 . . . . . . A 153 GLU N . 34600 1
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