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 34655
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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' . . . 34655 1
2 '2D 1H-1H NOESY' . . . 34655 1
3 '2D 1H-1H TOCSY' . . . 34655 1
4 '3D HNHA' . . . 34655 1
5 '3D HNHB' . . . 34655 1
6 '3D 1H-15N NOESY' . . . 34655 1
7 '3D 1H-15N TOCSY' . . . 34655 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 1 1 ALA HA H 1 3.789 0.020 . 1 . . 1499 . A 1 ALA HA . 34655 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.224 0.020 . 1 . . 1498 . A 1 ALA HB1 . 34655 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.224 0.020 . 1 . . 1498 . A 1 ALA HB2 . 34655 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.224 0.020 . 1 . . 1498 . A 1 ALA HB3 . 34655 1
5 . 1 . 1 2 2 LYS H H 1 8.243 0.020 . 1 . . 1514 . A 2 LYS H . 34655 1
6 . 1 . 1 2 2 LYS HA H 1 5.218 0.020 . 1 . . 1081 . A 2 LYS HA . 34655 1
7 . 1 . 1 2 2 LYS HB2 H 1 1.433 0.020 . 2 . . 1400 . A 2 LYS HB2 . 34655 1
8 . 1 . 1 2 2 LYS HB3 H 1 1.402 0.020 . 2 . . 1401 . A 2 LYS HB3 . 34655 1
9 . 1 . 1 2 2 LYS HG2 H 1 1.205 0.020 . 2 . . 1402 . A 2 LYS HG2 . 34655 1
10 . 1 . 1 2 2 LYS HG3 H 1 1.090 0.020 . 2 . . 1403 . A 2 LYS HG3 . 34655 1
11 . 1 . 1 2 2 LYS HE2 H 1 2.756 0.020 . 1 . . 1080 . A 2 LYS HE2 . 34655 1
12 . 1 . 1 2 2 LYS N N 15 120.155 0.100 . 1 . . 1709 . A 2 LYS N . 34655 1
13 . 1 . 1 3 3 TYR H H 1 8.757 0.020 . 1 . . 1515 . A 3 TYR H . 34655 1
14 . 1 . 1 3 3 TYR HA H 1 4.675 0.020 . 1 . . 1516 . A 3 TYR HA . 34655 1
15 . 1 . 1 3 3 TYR HB2 H 1 2.757 0.020 . 2 . . 1517 . A 3 TYR HB2 . 34655 1
16 . 1 . 1 3 3 TYR HB3 H 1 1.956 0.020 . 2 . . 1518 . A 3 TYR HB3 . 34655 1
17 . 1 . 1 3 3 TYR HD1 H 1 6.925 0.020 . 1 . . 1520 . A 3 TYR HD1 . 34655 1
18 . 1 . 1 3 3 TYR HD2 H 1 6.925 0.020 . 1 . . 1520 . A 3 TYR HD2 . 34655 1
19 . 1 . 1 3 3 TYR HE1 H 1 6.627 0.020 . 1 . . 1519 . A 3 TYR HE1 . 34655 1
20 . 1 . 1 3 3 TYR HE2 H 1 6.627 0.020 . 1 . . 1519 . A 3 TYR HE2 . 34655 1
21 . 1 . 1 3 3 TYR N N 15 121.773 0.100 . 1 . . 1710 . A 3 TYR N . 34655 1
22 . 1 . 1 4 4 THR H H 1 8.630 0.002 . 1 . . 1521 . A 4 THR H . 34655 1
23 . 1 . 1 4 4 THR HA H 1 5.004 0.020 . 1 . . 1522 . A 4 THR HA . 34655 1
24 . 1 . 1 4 4 THR HB H 1 3.944 0.020 . 1 . . 1523 . A 4 THR HB . 34655 1
25 . 1 . 1 4 4 THR HG21 H 1 1.217 0.020 . 1 . . 1524 . A 4 THR HG21 . 34655 1
26 . 1 . 1 4 4 THR HG22 H 1 1.217 0.020 . 1 . . 1524 . A 4 THR HG22 . 34655 1
27 . 1 . 1 4 4 THR HG23 H 1 1.217 0.020 . 1 . . 1524 . A 4 THR HG23 . 34655 1
28 . 1 . 1 4 4 THR N N 15 116.814 0.100 . 1 . . 1711 . A 4 THR N . 34655 1
29 . 1 . 1 5 5 GLY H H 1 8.909 0.020 . 1 . . 1530 . A 5 GLY H . 34655 1
30 . 1 . 1 5 5 GLY HA2 H 1 3.988 0.020 . 2 . . 1528 . A 5 GLY HA2 . 34655 1
31 . 1 . 1 5 5 GLY HA3 H 1 4.508 0.020 . 2 . . 1529 . A 5 GLY HA3 . 34655 1
32 . 1 . 1 5 5 GLY N N 15 114.302 0.100 . 1 . . 1768 . A 5 GLY N . 34655 1
33 . 1 . 1 6 6 LYS H H 1 8.475 0.020 . 1 . . 1535 . A 6 LYS H . 34655 1
34 . 1 . 1 6 6 LYS HA H 1 5.278 0.020 . 1 . . 1083 . A 6 LYS HA . 34655 1
35 . 1 . 1 6 6 LYS HB2 H 1 1.527 0.020 . 2 . . 1705 . A 6 LYS HB2 . 34655 1
36 . 1 . 1 6 6 LYS HB3 H 1 1.544 0.020 . 2 . . 1706 . A 6 LYS HB3 . 34655 1
37 . 1 . 1 6 6 LYS HG2 H 1 1.309 0.020 . 2 . . 1086 . A 6 LYS HG2 . 34655 1
38 . 1 . 1 6 6 LYS HG3 H 1 1.257 0.020 . 2 . . 1087 . A 6 LYS HG3 . 34655 1
39 . 1 . 1 6 6 LYS HD2 H 1 1.608 0.020 . 1 . . 1085 . A 6 LYS HD2 . 34655 1
40 . 1 . 1 6 6 LYS HE2 H 1 2.819 0.002 . 1 . . 1082 . A 6 LYS HE2 . 34655 1
41 . 1 . 1 6 6 LYS N N 15 119.795 0.100 . 1 . . 1712 . A 6 LYS N . 34655 1
42 . 1 . 1 7 7 CYS H H 1 9.519 0.020 . 1 . . 1536 . A 7 CYS H . 34655 1
43 . 1 . 1 7 7 CYS HA H 1 6.191 0.020 . 1 . . 1537 . A 7 CYS HA . 34655 1
44 . 1 . 1 7 7 CYS HB2 H 1 3.349 0.020 . 2 . . 1538 . A 7 CYS HB2 . 34655 1
45 . 1 . 1 7 7 CYS HB3 H 1 2.829 0.020 . 2 . . 1539 . A 7 CYS HB3 . 34655 1
46 . 1 . 1 7 7 CYS N N 15 121.194 0.100 . 1 . . 1713 . A 7 CYS N . 34655 1
47 . 1 . 1 8 8 THR H H 1 8.754 0.020 . 1 . . 1540 . A 8 THR H . 34655 1
48 . 1 . 1 8 8 THR HA H 1 4.743 0.020 . 1 . . 1541 . A 8 THR HA . 34655 1
49 . 1 . 1 8 8 THR HB H 1 3.985 0.020 . 1 . . 1542 . A 8 THR HB . 34655 1
50 . 1 . 1 8 8 THR HG21 H 1 1.209 0.020 . 1 . . 1543 . A 8 THR HG21 . 34655 1
51 . 1 . 1 8 8 THR HG22 H 1 1.209 0.020 . 1 . . 1543 . A 8 THR HG22 . 34655 1
52 . 1 . 1 8 8 THR HG23 H 1 1.209 0.020 . 1 . . 1543 . A 8 THR HG23 . 34655 1
53 . 1 . 1 8 8 THR N N 15 114.860 0.100 . 1 . . 1714 . A 8 THR N . 34655 1
54 . 1 . 1 9 9 LYS H H 1 9.029 0.020 . 1 . . 1544 . A 9 LYS H . 34655 1
55 . 1 . 1 9 9 LYS HA H 1 3.514 0.020 . 1 . . 1090 . A 9 LYS HA . 34655 1
56 . 1 . 1 9 9 LYS HB2 H 1 1.625 0.020 . 2 . . 1092 . A 9 LYS HB2 . 34655 1
57 . 1 . 1 9 9 LYS HB3 H 1 1.242 0.020 . 2 . . 1094 . A 9 LYS HB3 . 34655 1
58 . 1 . 1 9 9 LYS HG2 H 1 1.185 0.020 . 2 . . 1095 . A 9 LYS HG2 . 34655 1
59 . 1 . 1 9 9 LYS HG3 H 1 1.044 0.020 . 2 . . 1427 . A 9 LYS HG3 . 34655 1
60 . 1 . 1 9 9 LYS HD2 H 1 1.421 0.020 . 1 . . 1093 . A 9 LYS HD2 . 34655 1
61 . 1 . 1 9 9 LYS HE2 H 1 2.802 0.020 . 2 . . 1088 . A 9 LYS HE2 . 34655 1
62 . 1 . 1 9 9 LYS HE3 H 1 2.773 0.020 . 2 . . 1091 . A 9 LYS HE3 . 34655 1
63 . 1 . 1 9 9 LYS N N 15 129.618 0.100 . 1 . . 1715 . A 9 LYS N . 34655 1
64 . 1 . 1 10 10 SER H H 1 9.128 0.020 . 1 . . 1545 . A 10 SER H . 34655 1
65 . 1 . 1 10 10 SER HA H 1 3.891 0.020 . 1 . . 1546 . A 10 SER HA . 34655 1
66 . 1 . 1 10 10 SER HB2 H 1 3.785 0.020 . 2 . . 1547 . A 10 SER HB2 . 34655 1
67 . 1 . 1 10 10 SER HB3 H 1 3.698 0.020 . 2 . . 1548 . A 10 SER HB3 . 34655 1
68 . 1 . 1 10 10 SER N N 15 115.369 0.100 . 1 . . 1716 . A 10 SER N . 34655 1
69 . 1 . 1 11 11 LYS H H 1 6.519 0.020 . 1 . . 1102 . A 11 LYS H . 34655 1
70 . 1 . 1 11 11 LYS HA H 1 4.123 0.020 . 1 . . 1098 . A 11 LYS HA . 34655 1
71 . 1 . 1 11 11 LYS HB2 H 1 1.670 0.020 . 2 . . 1097 . A 11 LYS HB2 . 34655 1
72 . 1 . 1 11 11 LYS HB3 H 1 1.312 0.020 . 2 . . 1099 . A 11 LYS HB3 . 34655 1
73 . 1 . 1 11 11 LYS HG2 H 1 1.177 0.020 . 1 . . 1101 . A 11 LYS HG2 . 34655 1
74 . 1 . 1 11 11 LYS HE2 H 1 2.677 0.020 . 1 . . 1100 . A 11 LYS HE2 . 34655 1
75 . 1 . 1 11 11 LYS N N 15 114.824 0.100 . 1 . . 1717 . A 11 LYS N . 34655 1
76 . 1 . 1 12 12 ASN H H 1 7.666 0.020 . 1 . . 1551 . A 12 ASN H . 34655 1
77 . 1 . 1 12 12 ASN HA H 1 4.456 0.020 . 1 . . 1552 . A 12 ASN HA . 34655 1
78 . 1 . 1 12 12 ASN HB2 H 1 2.153 0.020 . 2 . . 1553 . A 12 ASN HB2 . 34655 1
79 . 1 . 1 12 12 ASN HB3 H 1 3.154 0.020 . 2 . . 1554 . A 12 ASN HB3 . 34655 1
80 . 1 . 1 12 12 ASN HD21 H 1 6.996 0.020 . 1 . . 1549 . A 12 ASN HD21 . 34655 1
81 . 1 . 1 12 12 ASN HD22 H 1 6.161 0.020 . 1 . . 1550 . A 12 ASN HD22 . 34655 1
82 . 1 . 1 12 12 ASN N N 15 120.795 0.100 . 1 . . 1718 . A 12 ASN N . 34655 1
83 . 1 . 1 12 12 ASN ND2 N 15 110.405 0.100 . 1 . . 1719 . A 12 ASN ND2 . 34655 1
84 . 1 . 1 13 13 GLU H H 1 7.228 0.020 . 1 . . 1555 . A 13 GLU H . 34655 1
85 . 1 . 1 13 13 GLU HA H 1 4.839 0.020 . 1 . . 1556 . A 13 GLU HA . 34655 1
86 . 1 . 1 13 13 GLU HB2 H 1 1.723 0.020 . 2 . . 1561 . A 13 GLU HB2 . 34655 1
87 . 1 . 1 13 13 GLU HB3 H 1 1.610 0.020 . 2 . . 1562 . A 13 GLU HB3 . 34655 1
88 . 1 . 1 13 13 GLU HG2 H 1 1.979 0.020 . 2 . . 1563 . A 13 GLU HG2 . 34655 1
89 . 1 . 1 13 13 GLU HG3 H 1 1.852 0.020 . 2 . . 1564 . A 13 GLU HG3 . 34655 1
90 . 1 . 1 13 13 GLU N N 15 114.836 0.100 . 1 . . 1720 . A 13 GLU N . 34655 1
91 . 1 . 1 14 14 CYS H H 1 9.564 0.020 . 1 . . 1565 . A 14 CYS H . 34655 1
92 . 1 . 1 14 14 CYS HA H 1 4.587 0.020 . 1 . . 1569 . A 14 CYS HA . 34655 1
93 . 1 . 1 14 14 CYS HB2 H 1 2.769 0.020 . 2 . . 1567 . A 14 CYS HB2 . 34655 1
94 . 1 . 1 14 14 CYS HB3 H 1 2.546 0.020 . 2 . . 1568 . A 14 CYS HB3 . 34655 1
95 . 1 . 1 14 14 CYS N N 15 122.967 0.100 . 1 . . 1721 . A 14 CYS N . 34655 1
96 . 1 . 1 15 15 LYS H H 1 8.636 0.020 . 1 . . 1103 . A 15 LYS H . 34655 1
97 . 1 . 1 15 15 LYS HA H 1 4.909 0.020 . 1 . . 1104 . A 15 LYS HA . 34655 1
98 . 1 . 1 15 15 LYS HB2 H 1 1.693 0.020 . 2 . . 1106 . A 15 LYS HB2 . 34655 1
99 . 1 . 1 15 15 LYS HB3 H 1 1.397 0.020 . 2 . . 1107 . A 15 LYS HB3 . 34655 1
100 . 1 . 1 15 15 LYS HG2 H 1 0.633 0.020 . 2 . . 1108 . A 15 LYS HG2 . 34655 1
101 . 1 . 1 15 15 LYS HG3 H 1 0.412 0.020 . 2 . . 1109 . A 15 LYS HG3 . 34655 1
102 . 1 . 1 15 15 LYS HD2 H 1 1.329 0.020 . 1 . . 1110 . A 15 LYS HD2 . 34655 1
103 . 1 . 1 15 15 LYS HE2 H 1 2.555 0.020 . 1 . . 1111 . A 15 LYS HE2 . 34655 1
104 . 1 . 1 15 15 LYS N N 15 130.565 0.100 . 1 . . 1722 . A 15 LYS N . 34655 1
105 . 1 . 1 16 16 TYR H H 1 8.723 0.020 . 1 . . 1570 . A 16 TYR H . 34655 1
106 . 1 . 1 16 16 TYR HA H 1 4.868 0.020 . 1 . . 1571 . A 16 TYR HA . 34655 1
107 . 1 . 1 16 16 TYR HB2 H 1 2.640 0.020 . 2 . . 1572 . A 16 TYR HB2 . 34655 1
108 . 1 . 1 16 16 TYR HB3 H 1 2.322 0.020 . 2 . . 1573 . A 16 TYR HB3 . 34655 1
109 . 1 . 1 16 16 TYR HD1 H 1 6.376 0.020 . 1 . . 1574 . A 16 TYR HD1 . 34655 1
110 . 1 . 1 16 16 TYR HD2 H 1 6.376 0.020 . 1 . . 1574 . A 16 TYR HD2 . 34655 1
111 . 1 . 1 16 16 TYR HE1 H 1 5.792 0.020 . 1 . . 1575 . A 16 TYR HE1 . 34655 1
112 . 1 . 1 16 16 TYR HE2 H 1 5.792 0.020 . 1 . . 1575 . A 16 TYR HE2 . 34655 1
113 . 1 . 1 16 16 TYR N N 15 124.368 0.100 . 1 . . 1723 . A 16 TYR N . 34655 1
114 . 1 . 1 17 17 LYS H H 1 8.330 0.020 . 1 . . 1112 . A 17 LYS H . 34655 1
115 . 1 . 1 17 17 LYS HA H 1 4.484 0.020 . 1 . . 1114 . A 17 LYS HA . 34655 1
116 . 1 . 1 17 17 LYS HB2 H 1 1.650 0.020 . 2 . . 1113 . A 17 LYS HB2 . 34655 1
117 . 1 . 1 17 17 LYS HB3 H 1 1.353 0.020 . 2 . . 1115 . A 17 LYS HB3 . 34655 1
118 . 1 . 1 17 17 LYS HG2 H 1 1.228 0.020 . 2 . . 1116 . A 17 LYS HG2 . 34655 1
119 . 1 . 1 17 17 LYS HG3 H 1 1.167 0.020 . 2 . . 1117 . A 17 LYS HG3 . 34655 1
120 . 1 . 1 17 17 LYS N N 15 120.220 0.100 . 1 . . 1725 . A 17 LYS N . 34655 1
121 . 1 . 1 18 18 ASN H H 1 7.746 0.020 . 1 . . 1578 . A 18 ASN H . 34655 1
122 . 1 . 1 18 18 ASN HA H 1 4.219 0.020 . 1 . . 1579 . A 18 ASN HA . 34655 1
123 . 1 . 1 18 18 ASN HB2 H 1 3.323 0.020 . 2 . . 1580 . A 18 ASN HB2 . 34655 1
124 . 1 . 1 18 18 ASN HB3 H 1 2.510 0.020 . 2 . . 1581 . A 18 ASN HB3 . 34655 1
125 . 1 . 1 18 18 ASN HD21 H 1 7.368 0.020 . 1 . . 1576 . A 18 ASN HD21 . 34655 1
126 . 1 . 1 18 18 ASN HD22 H 1 6.735 0.020 . 1 . . 1577 . A 18 ASN HD22 . 34655 1
127 . 1 . 1 18 18 ASN N N 15 120.275 0.100 . 1 . . 1724 . A 18 ASN N . 34655 1
128 . 1 . 1 18 18 ASN ND2 N 15 111.485 0.100 . 1 . . 1726 . A 18 ASN ND2 . 34655 1
129 . 1 . 1 19 19 ASP H H 1 8.245 0.020 . 1 . . 1582 . A 19 ASP H . 34655 1
130 . 1 . 1 19 19 ASP HA H 1 4.260 0.020 . 1 . . 1585 . A 19 ASP HA . 34655 1
131 . 1 . 1 19 19 ASP HB2 H 1 2.650 0.020 . 2 . . 1583 . A 19 ASP HB2 . 34655 1
132 . 1 . 1 19 19 ASP HB3 H 1 2.465 0.020 . 2 . . 1584 . A 19 ASP HB3 . 34655 1
133 . 1 . 1 19 19 ASP N N 15 115.900 0.100 . 1 . . 1727 . A 19 ASP N . 34655 1
134 . 1 . 1 20 20 ALA H H 1 7.336 0.020 . 1 . . 1586 . A 20 ALA H . 34655 1
135 . 1 . 1 20 20 ALA HA H 1 4.306 0.020 . 1 . . 1587 . A 20 ALA HA . 34655 1
136 . 1 . 1 20 20 ALA HB1 H 1 1.294 0.020 . 1 . . 1588 . A 20 ALA HB1 . 34655 1
137 . 1 . 1 20 20 ALA HB2 H 1 1.294 0.020 . 1 . . 1588 . A 20 ALA HB2 . 34655 1
138 . 1 . 1 20 20 ALA HB3 H 1 1.294 0.020 . 1 . . 1588 . A 20 ALA HB3 . 34655 1
139 . 1 . 1 20 20 ALA N N 15 118.377 0.100 . 1 . . 1728 . A 20 ALA N . 34655 1
140 . 1 . 1 21 21 GLY H H 1 8.153 0.020 . 1 . . 1589 . A 21 GLY H . 34655 1
141 . 1 . 1 21 21 GLY HA2 H 1 3.985 0.020 . 2 . . 1590 . A 21 GLY HA2 . 34655 1
142 . 1 . 1 21 21 GLY HA3 H 1 3.392 0.020 . 2 . . 1591 . A 21 GLY HA3 . 34655 1
143 . 1 . 1 21 21 GLY N N 15 106.146 0.100 . 1 . . 1729 . A 21 GLY N . 34655 1
144 . 1 . 1 22 22 LYS H H 1 7.465 0.020 . 1 . . 1118 . A 22 LYS H . 34655 1
145 . 1 . 1 22 22 LYS HA H 1 4.256 0.020 . 1 . . 1119 . A 22 LYS HA . 34655 1
146 . 1 . 1 22 22 LYS HB2 H 1 1.534 0.020 . 2 . . 1120 . A 22 LYS HB2 . 34655 1
147 . 1 . 1 22 22 LYS HB3 H 1 1.393 0.020 . 2 . . 1121 . A 22 LYS HB3 . 34655 1
148 . 1 . 1 22 22 LYS HG2 H 1 1.221 0.020 . 2 . . 1122 . A 22 LYS HG2 . 34655 1
149 . 1 . 1 22 22 LYS HG3 H 1 1.135 0.020 . 2 . . 1123 . A 22 LYS HG3 . 34655 1
150 . 1 . 1 22 22 LYS HD2 H 1 1.453 0.020 . 1 . . 1124 . A 22 LYS HD2 . 34655 1
151 . 1 . 1 22 22 LYS HE2 H 1 2.790 0.020 . 1 . . 1125 . A 22 LYS HE2 . 34655 1
152 . 1 . 1 22 22 LYS N N 15 119.270 0.100 . 1 . . 1730 . A 22 LYS N . 34655 1
153 . 1 . 1 23 23 ASP H H 1 8.430 0.020 . 1 . . 1592 . A 23 ASP H . 34655 1
154 . 1 . 1 23 23 ASP HA H 1 4.257 0.020 . 1 . . 1593 . A 23 ASP HA . 34655 1
155 . 1 . 1 23 23 ASP HB2 H 1 2.301 0.020 . 2 . . 1594 . A 23 ASP HB2 . 34655 1
156 . 1 . 1 23 23 ASP HB3 H 1 1.873 0.020 . 2 . . 1595 . A 23 ASP HB3 . 34655 1
157 . 1 . 1 23 23 ASP N N 15 125.809 0.100 . 1 . . 1731 . A 23 ASP N . 34655 1
158 . 1 . 1 24 24 THR H H 1 8.556 0.020 . 1 . . 1596 . A 24 THR H . 34655 1
159 . 1 . 1 24 24 THR HA H 1 4.019 0.020 . 1 . . 1597 . A 24 THR HA . 34655 1
160 . 1 . 1 24 24 THR HB H 1 2.503 0.020 . 1 . . 1598 . A 24 THR HB . 34655 1
161 . 1 . 1 24 24 THR HG21 H 1 0.641 0.020 . 1 . . 1599 . A 24 THR HG21 . 34655 1
162 . 1 . 1 24 24 THR HG22 H 1 0.641 0.020 . 1 . . 1599 . A 24 THR HG22 . 34655 1
163 . 1 . 1 24 24 THR HG23 H 1 0.641 0.020 . 1 . . 1599 . A 24 THR HG23 . 34655 1
164 . 1 . 1 24 24 THR N N 15 120.580 0.100 . 1 . . 1732 . A 24 THR N . 34655 1
165 . 1 . 1 25 25 PHE H H 1 8.053 0.020 . 1 . . 1600 . A 25 PHE H . 34655 1
166 . 1 . 1 25 25 PHE HA H 1 5.393 0.020 . 1 . . 1601 . A 25 PHE HA . 34655 1
167 . 1 . 1 25 25 PHE HB2 H 1 2.675 0.020 . 2 . . 1602 . A 25 PHE HB2 . 34655 1
168 . 1 . 1 25 25 PHE HB3 H 1 2.607 0.020 . 2 . . 1603 . A 25 PHE HB3 . 34655 1
169 . 1 . 1 25 25 PHE HD1 H 1 6.952 0.020 . 1 . . 1604 . A 25 PHE HD1 . 34655 1
170 . 1 . 1 25 25 PHE HD2 H 1 6.952 0.020 . 1 . . 1604 . A 25 PHE HD2 . 34655 1
171 . 1 . 1 25 25 PHE HE1 H 1 7.093 0.020 . 1 . . 1605 . A 25 PHE HE1 . 34655 1
172 . 1 . 1 25 25 PHE HE2 H 1 7.093 0.020 . 1 . . 1605 . A 25 PHE HE2 . 34655 1
173 . 1 . 1 25 25 PHE N N 15 121.364 0.100 . 1 . . 1733 . A 25 PHE N . 34655 1
174 . 1 . 1 26 26 ILE H H 1 8.835 0.020 . 1 . . 1606 . A 26 ILE H . 34655 1
175 . 1 . 1 26 26 ILE HA H 1 4.526 0.020 . 1 . . 1607 . A 26 ILE HA . 34655 1
176 . 1 . 1 26 26 ILE HB H 1 1.749 0.020 . 1 . . 1268 . A 26 ILE HB . 34655 1
177 . 1 . 1 26 26 ILE HG12 H 1 1.307 0.020 . 2 . . 1270 . A 26 ILE HG12 . 34655 1
178 . 1 . 1 26 26 ILE HG13 H 1 1.518 0.020 . 2 . . 1271 . A 26 ILE HG13 . 34655 1
179 . 1 . 1 26 26 ILE HG21 H 1 0.768 0.020 . 1 . . 1269 . A 26 ILE HG21 . 34655 1
180 . 1 . 1 26 26 ILE HG22 H 1 0.768 0.020 . 1 . . 1269 . A 26 ILE HG22 . 34655 1
181 . 1 . 1 26 26 ILE HG23 H 1 0.768 0.020 . 1 . . 1269 . A 26 ILE HG23 . 34655 1
182 . 1 . 1 26 26 ILE HD11 H 1 0.755 0.020 . 1 . . 1272 . A 26 ILE HD11 . 34655 1
183 . 1 . 1 26 26 ILE HD12 H 1 0.755 0.020 . 1 . . 1272 . A 26 ILE HD12 . 34655 1
184 . 1 . 1 26 26 ILE HD13 H 1 0.755 0.020 . 1 . . 1272 . A 26 ILE HD13 . 34655 1
185 . 1 . 1 26 26 ILE N N 15 120.139 0.100 . 1 . . 1734 . A 26 ILE N . 34655 1
186 . 1 . 1 27 27 LYS H H 1 8.366 0.020 . 1 . . 1127 . A 27 LYS H . 34655 1
187 . 1 . 1 27 27 LYS HA H 1 4.171 0.020 . 1 . . 1128 . A 27 LYS HA . 34655 1
188 . 1 . 1 27 27 LYS HB2 H 1 1.690 0.020 . 2 . . 1129 . A 27 LYS HB2 . 34655 1
189 . 1 . 1 27 27 LYS HB3 H 1 1.933 0.020 . 2 . . 1131 . A 27 LYS HB3 . 34655 1
190 . 1 . 1 27 27 LYS HG2 H 1 1.558 0.020 . 1 . . 1130 . A 27 LYS HG2 . 34655 1
191 . 1 . 1 27 27 LYS HD2 H 1 1.657 0.020 . 1 . . 1132 . A 27 LYS HD2 . 34655 1
192 . 1 . 1 27 27 LYS HE2 H 1 2.971 0.020 . 2 . . 1133 . A 27 LYS HE2 . 34655 1
193 . 1 . 1 27 27 LYS HE3 H 1 2.889 0.020 . 2 . . 1134 . A 27 LYS HE3 . 34655 1
194 . 1 . 1 27 27 LYS N N 15 126.491 0.100 . 1 . . 1735 . A 27 LYS N . 34655 1
195 . 1 . 1 28 28 CYS H H 1 8.152 0.020 . 1 . . 1608 . A 28 CYS H . 34655 1
196 . 1 . 1 28 28 CYS HA H 1 4.458 0.020 . 1 . . 1609 . A 28 CYS HA . 34655 1
197 . 1 . 1 28 28 CYS HB2 H 1 3.054 0.020 . 2 . . 1610 . A 28 CYS HB2 . 34655 1
198 . 1 . 1 28 28 CYS HB3 H 1 2.686 0.020 . 2 . . 1611 . A 28 CYS HB3 . 34655 1
199 . 1 . 1 28 28 CYS N N 15 117.751 0.100 . 1 . . 1736 . A 28 CYS N . 34655 1
200 . 1 . 1 29 29 PRO HA H 1 4.275 0.020 . 1 . . 1502 . A 29 PRO HA . 34655 1
201 . 1 . 1 29 29 PRO HB2 H 1 2.333 0.020 . 2 . . 1508 . A 29 PRO HB2 . 34655 1
202 . 1 . 1 29 29 PRO HB3 H 1 1.587 0.020 . 2 . . 1509 . A 29 PRO HB3 . 34655 1
203 . 1 . 1 29 29 PRO HG2 H 1 2.148 0.020 . 2 . . 1501 . A 29 PRO HG2 . 34655 1
204 . 1 . 1 29 29 PRO HG3 H 1 2.092 0.020 . 2 . . 1503 . A 29 PRO HG3 . 34655 1
205 . 1 . 1 29 29 PRO HD2 H 1 3.653 0.020 . 2 . . 1504 . A 29 PRO HD2 . 34655 1
206 . 1 . 1 29 29 PRO HD3 H 1 3.561 0.020 . 2 . . 1506 . A 29 PRO HD3 . 34655 1
207 . 1 . 1 30 30 LYS H H 1 8.079 0.020 . 1 . . 1135 . A 30 LYS H . 34655 1
208 . 1 . 1 30 30 LYS HA H 1 3.974 0.020 . 1 . . 1136 . A 30 LYS HA . 34655 1
209 . 1 . 1 30 30 LYS HB2 H 1 1.534 0.020 . 2 . . 1137 . A 30 LYS HB2 . 34655 1
210 . 1 . 1 30 30 LYS HB3 H 1 1.360 0.020 . 2 . . 1140 . A 30 LYS HB3 . 34655 1
211 . 1 . 1 30 30 LYS HG2 H 1 1.019 0.020 . 1 . . 1141 . A 30 LYS HG2 . 34655 1
212 . 1 . 1 30 30 LYS HD2 H 1 1.434 0.020 . 1 . . 1139 . A 30 LYS HD2 . 34655 1
213 . 1 . 1 30 30 LYS HE2 H 1 2.740 0.020 . 1 . . 1138 . A 30 LYS HE2 . 34655 1
214 . 1 . 1 30 30 LYS N N 15 117.329 0.100 . 1 . . 1737 . A 30 LYS N . 34655 1
215 . 1 . 1 31 31 PHE H H 1 6.663 0.020 . 1 . . 1612 . A 31 PHE H . 34655 1
216 . 1 . 1 31 31 PHE HA H 1 4.495 0.020 . 1 . . 1615 . A 31 PHE HA . 34655 1
217 . 1 . 1 31 31 PHE HB2 H 1 3.325 0.020 . 2 . . 1613 . A 31 PHE HB2 . 34655 1
218 . 1 . 1 31 31 PHE HB3 H 1 2.580 0.020 . 2 . . 1614 . A 31 PHE HB3 . 34655 1
219 . 1 . 1 31 31 PHE HD1 H 1 7.198 0.020 . 1 . . 1616 . A 31 PHE HD1 . 34655 1
220 . 1 . 1 31 31 PHE HD2 H 1 7.198 0.020 . 1 . . 1616 . A 31 PHE HD2 . 34655 1
221 . 1 . 1 31 31 PHE HE1 H 1 7.360 0.020 . 1 . . 1617 . A 31 PHE HE1 . 34655 1
222 . 1 . 1 31 31 PHE HE2 H 1 7.360 0.020 . 1 . . 1617 . A 31 PHE HE2 . 34655 1
223 . 1 . 1 31 31 PHE N N 15 116.194 0.100 . 1 . . 1738 . A 31 PHE N . 34655 1
224 . 1 . 1 32 32 ASP H H 1 8.707 0.020 . 1 . . 1618 . A 32 ASP H . 34655 1
225 . 1 . 1 32 32 ASP HA H 1 4.120 0.020 . 1 . . 1619 . A 32 ASP HA . 34655 1
226 . 1 . 1 32 32 ASP HB2 H 1 2.453 0.020 . 1 . . 1620 . A 32 ASP HB2 . 34655 1
227 . 1 . 1 32 32 ASP N N 15 121.827 0.100 . 1 . . 1739 . A 32 ASP N . 34655 1
228 . 1 . 1 33 33 ASN H H 1 8.328 0.020 . 1 . . 1623 . A 33 ASN H . 34655 1
229 . 1 . 1 33 33 ASN HA H 1 4.488 0.020 . 1 . . 1624 . A 33 ASN HA . 34655 1
230 . 1 . 1 33 33 ASN HB2 H 1 2.883 0.020 . 2 . . 1625 . A 33 ASN HB2 . 34655 1
231 . 1 . 1 33 33 ASN HB3 H 1 2.688 0.020 . 2 . . 1626 . A 33 ASN HB3 . 34655 1
232 . 1 . 1 33 33 ASN HD21 H 1 7.476 0.020 . 1 . . 1621 . A 33 ASN HD21 . 34655 1
233 . 1 . 1 33 33 ASN HD22 H 1 6.778 0.020 . 1 . . 1622 . A 33 ASN HD22 . 34655 1
234 . 1 . 1 33 33 ASN N N 15 112.566 0.100 . 1 . . 1740 . A 33 ASN N . 34655 1
235 . 1 . 1 33 33 ASN ND2 N 15 111.696 0.100 . 1 . . 1741 . A 33 ASN ND2 . 34655 1
236 . 1 . 1 34 34 LYS H H 1 7.494 0.020 . 1 . . 1142 . A 34 LYS H . 34655 1
237 . 1 . 1 34 34 LYS HA H 1 4.723 0.020 . 1 . . 1143 . A 34 LYS HA . 34655 1
238 . 1 . 1 34 34 LYS HB2 H 1 2.137 0.020 . 2 . . 1144 . A 34 LYS HB2 . 34655 1
239 . 1 . 1 34 34 LYS HB3 H 1 1.469 0.020 . 2 . . 1145 . A 34 LYS HB3 . 34655 1
240 . 1 . 1 34 34 LYS HG2 H 1 1.367 0.020 . 1 . . 1147 . A 34 LYS HG2 . 34655 1
241 . 1 . 1 34 34 LYS HD2 H 1 1.795 0.020 . 1 . . 1148 . A 34 LYS HD2 . 34655 1
242 . 1 . 1 34 34 LYS HE2 H 1 2.906 0.020 . 2 . . 1149 . A 34 LYS HE2 . 34655 1
243 . 1 . 1 34 34 LYS HE3 H 1 2.847 0.020 . 2 . . 1150 . A 34 LYS HE3 . 34655 1
244 . 1 . 1 34 34 LYS N N 15 117.402 0.100 . 1 . . 1742 . A 34 LYS N . 34655 1
245 . 1 . 1 35 35 LYS H H 1 6.932 0.020 . 1 . . 1151 . A 35 LYS H . 34655 1
246 . 1 . 1 35 35 LYS HA H 1 4.451 0.020 . 1 . . 1152 . A 35 LYS HA . 34655 1
247 . 1 . 1 35 35 LYS HB2 H 1 1.628 0.020 . 1 . . 1153 . A 35 LYS HB2 . 34655 1
248 . 1 . 1 35 35 LYS HG2 H 1 0.812 0.020 . 1 . . 1155 . A 35 LYS HG2 . 34655 1
249 . 1 . 1 35 35 LYS HD2 H 1 1.381 0.020 . 1 . . 1154 . A 35 LYS HD2 . 34655 1
250 . 1 . 1 35 35 LYS HE2 H 1 2.721 0.020 . 1 . . 1156 . A 35 LYS HE2 . 34655 1
251 . 1 . 1 35 35 LYS N N 15 116.835 0.100 . 1 . . 1743 . A 35 LYS N . 34655 1
252 . 1 . 1 36 36 CYS H H 1 8.407 0.020 . 1 . . 1627 . A 36 CYS H . 34655 1
253 . 1 . 1 36 36 CYS HA H 1 4.752 0.020 . 1 . . 1628 . A 36 CYS HA . 34655 1
254 . 1 . 1 36 36 CYS HB2 H 1 3.131 0.020 . 2 . . 1629 . A 36 CYS HB2 . 34655 1
255 . 1 . 1 36 36 CYS HB3 H 1 2.941 0.020 . 2 . . 1630 . A 36 CYS HB3 . 34655 1
256 . 1 . 1 36 36 CYS N N 15 117.036 0.100 . 1 . . 1744 . A 36 CYS N . 34655 1
257 . 1 . 1 37 37 THR H H 1 9.843 0.020 . 1 . . 1631 . A 37 THR H . 34655 1
258 . 1 . 1 37 37 THR HA H 1 4.091 0.020 . 1 . . 1632 . A 37 THR HA . 34655 1
259 . 1 . 1 37 37 THR HG21 H 1 1.114 0.020 . 1 . . 1633 . A 37 THR HG21 . 34655 1
260 . 1 . 1 37 37 THR HG22 H 1 1.114 0.020 . 1 . . 1633 . A 37 THR HG22 . 34655 1
261 . 1 . 1 37 37 THR HG23 H 1 1.114 0.020 . 1 . . 1633 . A 37 THR HG23 . 34655 1
262 . 1 . 1 37 37 THR N N 15 121.630 0.100 . 1 . . 1745 . A 37 THR N . 34655 1
263 . 1 . 1 38 38 LYS H H 1 7.204 0.020 . 1 . . 1163 . A 38 LYS H . 34655 1
264 . 1 . 1 38 38 LYS HA H 1 4.113 0.020 . 1 . . 1157 . A 38 LYS HA . 34655 1
265 . 1 . 1 38 38 LYS HB2 H 1 1.608 0.020 . 2 . . 1161 . A 38 LYS HB2 . 34655 1
266 . 1 . 1 38 38 LYS HB3 H 1 1.523 0.020 . 2 . . 1162 . A 38 LYS HB3 . 34655 1
267 . 1 . 1 38 38 LYS HG2 H 1 1.314 0.020 . 1 . . 1159 . A 38 LYS HG2 . 34655 1
268 . 1 . 1 38 38 LYS HD2 H 1 1.420 0.020 . 1 . . 1160 . A 38 LYS HD2 . 34655 1
269 . 1 . 1 38 38 LYS HE2 H 1 2.890 0.020 . 1 . . 1158 . A 38 LYS HE2 . 34655 1
270 . 1 . 1 38 38 LYS N N 15 121.063 0.100 . 1 . . 1746 . A 38 LYS N . 34655 1
271 . 1 . 1 39 39 ASP H H 1 8.634 0.020 . 1 . . 1634 . A 39 ASP H . 34655 1
272 . 1 . 1 39 39 ASP HA H 1 4.503 0.020 . 1 . . 1635 . A 39 ASP HA . 34655 1
273 . 1 . 1 39 39 ASP HB2 H 1 2.438 0.020 . 2 . . 1636 . A 39 ASP HB2 . 34655 1
274 . 1 . 1 39 39 ASP HB3 H 1 2.395 0.020 . 2 . . 1638 . A 39 ASP HB3 . 34655 1
275 . 1 . 1 39 39 ASP N N 15 124.476 0.100 . 1 . . 1747 . A 39 ASP N . 34655 1
276 . 1 . 1 40 40 ASN H H 1 9.261 0.020 . 1 . . 1643 . A 40 ASN H . 34655 1
277 . 1 . 1 40 40 ASN HA H 1 4.144 0.020 . 1 . . 1644 . A 40 ASN HA . 34655 1
278 . 1 . 1 40 40 ASN HB2 H 1 3.119 0.020 . 2 . . 1645 . A 40 ASN HB2 . 34655 1
279 . 1 . 1 40 40 ASN HB3 H 1 2.930 0.020 . 2 . . 1646 . A 40 ASN HB3 . 34655 1
280 . 1 . 1 40 40 ASN HD21 H 1 7.379 0.020 . 1 . . 1639 . A 40 ASN HD21 . 34655 1
281 . 1 . 1 40 40 ASN HD22 H 1 6.846 0.020 . 1 . . 1640 . A 40 ASN HD22 . 34655 1
282 . 1 . 1 40 40 ASN N N 15 112.525 0.100 . 1 . . 1748 . A 40 ASN N . 34655 1
283 . 1 . 1 40 40 ASN ND2 N 15 112.726 0.100 . 1 . . 1749 . A 40 ASN ND2 . 34655 1
284 . 1 . 1 41 41 ASN H H 1 7.612 0.020 . 1 . . 1647 . A 41 ASN H . 34655 1
285 . 1 . 1 41 41 ASN HA H 1 4.625 0.020 . 1 . . 1648 . A 41 ASN HA . 34655 1
286 . 1 . 1 41 41 ASN HB2 H 1 3.270 0.020 . 2 . . 1649 . A 41 ASN HB2 . 34655 1
287 . 1 . 1 41 41 ASN HB3 H 1 2.865 0.020 . 2 . . 1650 . A 41 ASN HB3 . 34655 1
288 . 1 . 1 41 41 ASN HD21 H 1 7.727 0.020 . 1 . . 1641 . A 41 ASN HD21 . 34655 1
289 . 1 . 1 41 41 ASN HD22 H 1 6.112 0.020 . 1 . . 1642 . A 41 ASN HD22 . 34655 1
290 . 1 . 1 41 41 ASN N N 15 119.110 0.100 . 1 . . 1750 . A 41 ASN N . 34655 1
291 . 1 . 1 41 41 ASN ND2 N 15 110.459 0.100 . 1 . . 1751 . A 41 ASN ND2 . 34655 1
292 . 1 . 1 42 42 LYS H H 1 8.473 0.020 . 1 . . 1169 . A 42 LYS H . 34655 1
293 . 1 . 1 42 42 LYS HA H 1 4.433 0.020 . 1 . . 1165 . A 42 LYS HA . 34655 1
294 . 1 . 1 42 42 LYS HB2 H 1 1.676 0.020 . 1 . . 1164 . A 42 LYS HB2 . 34655 1
295 . 1 . 1 42 42 LYS HG2 H 1 1.378 0.020 . 2 . . 1173 . A 42 LYS HG2 . 34655 1
296 . 1 . 1 42 42 LYS HG3 H 1 1.295 0.020 . 2 . . 1174 . A 42 LYS HG3 . 34655 1
297 . 1 . 1 42 42 LYS HD2 H 1 1.517 0.020 . 1 . . 1167 . A 42 LYS HD2 . 34655 1
298 . 1 . 1 42 42 LYS HE2 H 1 2.777 0.020 . 1 . . 1171 . A 42 LYS HE2 . 34655 1
299 . 1 . 1 42 42 LYS N N 15 119.795 0.100 . 1 . . 1752 . A 42 LYS N . 34655 1
300 . 1 . 1 43 43 CYS H H 1 7.540 0.020 . 1 . . 1651 . A 43 CYS H . 34655 1
301 . 1 . 1 43 43 CYS HA H 1 5.199 0.020 . 1 . . 1652 . A 43 CYS HA . 34655 1
302 . 1 . 1 43 43 CYS HB2 H 1 3.621 0.020 . 2 . . 1653 . A 43 CYS HB2 . 34655 1
303 . 1 . 1 43 43 CYS HB3 H 1 2.922 0.020 . 2 . . 1654 . A 43 CYS HB3 . 34655 1
304 . 1 . 1 43 43 CYS N N 15 114.061 0.100 . 1 . . 1753 . A 43 CYS N . 34655 1
305 . 1 . 1 44 44 THR H H 1 8.823 0.020 . 1 . . 1655 . A 44 THR H . 34655 1
306 . 1 . 1 44 44 THR HA H 1 5.175 0.020 . 1 . . 1656 . A 44 THR HA . 34655 1
307 . 1 . 1 44 44 THR HB H 1 3.761 0.020 . 1 . . 1657 . A 44 THR HB . 34655 1
308 . 1 . 1 44 44 THR HG21 H 1 0.991 0.020 . 1 . . 1658 . A 44 THR HG21 . 34655 1
309 . 1 . 1 44 44 THR HG22 H 1 0.991 0.020 . 1 . . 1658 . A 44 THR HG22 . 34655 1
310 . 1 . 1 44 44 THR HG23 H 1 0.991 0.020 . 1 . . 1658 . A 44 THR HG23 . 34655 1
311 . 1 . 1 44 44 THR N N 15 114.098 0.100 . 1 . . 1754 . A 44 THR N . 34655 1
312 . 1 . 1 45 45 VAL H H 1 8.620 0.020 . 1 . . 1659 . A 45 VAL H . 34655 1
313 . 1 . 1 45 45 VAL HA H 1 4.406 0.020 . 1 . . 1660 . A 45 VAL HA . 34655 1
314 . 1 . 1 45 45 VAL HB H 1 1.216 0.020 . 1 . . 1663 . A 45 VAL HB . 34655 1
315 . 1 . 1 45 45 VAL HG11 H 1 0.376 0.020 . 2 . . 1661 . A 45 VAL HG11 . 34655 1
316 . 1 . 1 45 45 VAL HG12 H 1 0.376 0.020 . 2 . . 1661 . A 45 VAL HG12 . 34655 1
317 . 1 . 1 45 45 VAL HG13 H 1 0.376 0.020 . 2 . . 1661 . A 45 VAL HG13 . 34655 1
318 . 1 . 1 45 45 VAL HG21 H 1 0.287 0.020 . 2 . . 1662 . A 45 VAL HG21 . 34655 1
319 . 1 . 1 45 45 VAL HG22 H 1 0.287 0.020 . 2 . . 1662 . A 45 VAL HG22 . 34655 1
320 . 1 . 1 45 45 VAL HG23 H 1 0.287 0.020 . 2 . . 1662 . A 45 VAL HG23 . 34655 1
321 . 1 . 1 45 45 VAL N N 15 123.253 0.100 . 1 . . 1755 . A 45 VAL N . 34655 1
322 . 1 . 1 46 46 ASP H H 1 8.716 0.020 . 1 . . 1664 . A 46 ASP H . 34655 1
323 . 1 . 1 46 46 ASP HA H 1 5.309 0.020 . 1 . . 1665 . A 46 ASP HA . 34655 1
324 . 1 . 1 46 46 ASP HB2 H 1 3.157 0.020 . 2 . . 1666 . A 46 ASP HB2 . 34655 1
325 . 1 . 1 46 46 ASP HB3 H 1 2.246 0.020 . 2 . . 1667 . A 46 ASP HB3 . 34655 1
326 . 1 . 1 46 46 ASP N N 15 126.290 0.100 . 1 . . 1756 . A 46 ASP N . 34655 1
327 . 1 . 1 47 47 THR H H 1 8.911 0.020 . 1 . . 1525 . A 47 THR H . 34655 1
328 . 1 . 1 47 47 THR HA H 1 4.092 0.020 . 1 . . 1527 . A 47 THR HA . 34655 1
329 . 1 . 1 47 47 THR HB H 1 4.470 0.020 . 1 . . 1533 . A 47 THR HB . 34655 1
330 . 1 . 1 47 47 THR HG21 H 1 1.163 0.020 . 1 . . 1534 . A 47 THR HG21 . 34655 1
331 . 1 . 1 47 47 THR HG22 H 1 1.163 0.020 . 1 . . 1534 . A 47 THR HG22 . 34655 1
332 . 1 . 1 47 47 THR HG23 H 1 1.163 0.020 . 1 . . 1534 . A 47 THR HG23 . 34655 1
333 . 1 . 1 47 47 THR N N 15 114.302 0.100 . 1 . . 1767 . A 47 THR N . 34655 1
334 . 1 . 1 48 48 TYR H H 1 8.707 0.020 . 1 . . 1668 . A 48 TYR H . 34655 1
335 . 1 . 1 48 48 TYR HA H 1 4.313 0.020 . 1 . . 1669 . A 48 TYR HA . 34655 1
336 . 1 . 1 48 48 TYR HB2 H 1 2.901 0.020 . 1 . . 1670 . A 48 TYR HB2 . 34655 1
337 . 1 . 1 48 48 TYR HD1 H 1 6.940 0.020 . 1 . . 1672 . A 48 TYR HD1 . 34655 1
338 . 1 . 1 48 48 TYR HD2 H 1 6.940 0.020 . 1 . . 1672 . A 48 TYR HD2 . 34655 1
339 . 1 . 1 48 48 TYR HE1 H 1 6.659 0.020 . 1 . . 1671 . A 48 TYR HE1 . 34655 1
340 . 1 . 1 48 48 TYR HE2 H 1 6.659 0.020 . 1 . . 1671 . A 48 TYR HE2 . 34655 1
341 . 1 . 1 48 48 TYR N N 15 122.552 0.100 . 1 . . 1757 . A 48 TYR N . 34655 1
342 . 1 . 1 49 49 ASN H H 1 7.565 0.020 . 1 . . 1677 . A 49 ASN H . 34655 1
343 . 1 . 1 49 49 ASN HA H 1 4.339 0.020 . 1 . . 1678 . A 49 ASN HA . 34655 1
344 . 1 . 1 49 49 ASN HB2 H 1 2.481 0.020 . 2 . . 1679 . A 49 ASN HB2 . 34655 1
345 . 1 . 1 49 49 ASN HB3 H 1 2.419 0.020 . 2 . . 1680 . A 49 ASN HB3 . 34655 1
346 . 1 . 1 49 49 ASN HD21 H 1 7.923 0.020 . 1 . . 1673 . A 49 ASN HD21 . 34655 1
347 . 1 . 1 49 49 ASN HD22 H 1 6.734 0.020 . 1 . . 1674 . A 49 ASN HD22 . 34655 1
348 . 1 . 1 49 49 ASN N N 15 112.375 0.100 . 1 . . 1758 . A 49 ASN N . 34655 1
349 . 1 . 1 49 49 ASN ND2 N 15 111.894 0.100 . 1 . . 1759 . A 49 ASN ND2 . 34655 1
350 . 1 . 1 50 50 ASN H H 1 7.653 0.020 . 1 . . 1681 . A 50 ASN H . 34655 1
351 . 1 . 1 50 50 ASN HA H 1 4.132 0.020 . 1 . . 1684 . A 50 ASN HA . 34655 1
352 . 1 . 1 50 50 ASN HB2 H 1 2.963 0.020 . 2 . . 1682 . A 50 ASN HB2 . 34655 1
353 . 1 . 1 50 50 ASN HB3 H 1 2.504 0.020 . 2 . . 1683 . A 50 ASN HB3 . 34655 1
354 . 1 . 1 50 50 ASN HD21 H 1 7.267 0.020 . 1 . . 1675 . A 50 ASN HD21 . 34655 1
355 . 1 . 1 50 50 ASN HD22 H 1 6.474 0.020 . 1 . . 1676 . A 50 ASN HD22 . 34655 1
356 . 1 . 1 50 50 ASN N N 15 115.482 0.100 . 1 . . 1760 . A 50 ASN N . 34655 1
357 . 1 . 1 50 50 ASN ND2 N 15 109.712 0.100 . 1 . . 1761 . A 50 ASN ND2 . 34655 1
358 . 1 . 1 51 51 ALA H H 1 7.686 0.020 . 1 . . 1685 . A 51 ALA H . 34655 1
359 . 1 . 1 51 51 ALA HA H 1 4.474 0.020 . 1 . . 1686 . A 51 ALA HA . 34655 1
360 . 1 . 1 51 51 ALA HB1 H 1 1.194 0.020 . 1 . . 1687 . A 51 ALA HB1 . 34655 1
361 . 1 . 1 51 51 ALA HB2 H 1 1.194 0.020 . 1 . . 1687 . A 51 ALA HB2 . 34655 1
362 . 1 . 1 51 51 ALA HB3 H 1 1.194 0.020 . 1 . . 1687 . A 51 ALA HB3 . 34655 1
363 . 1 . 1 51 51 ALA N N 15 118.818 0.100 . 1 . . 1762 . A 51 ALA N . 34655 1
364 . 1 . 1 52 52 VAL H H 1 8.051 0.020 . 1 . . 1688 . A 52 VAL H . 34655 1
365 . 1 . 1 52 52 VAL HA H 1 4.771 0.020 . 1 . . 1692 . A 52 VAL HA . 34655 1
366 . 1 . 1 52 52 VAL HB H 1 1.792 0.020 . 1 . . 1689 . A 52 VAL HB . 34655 1
367 . 1 . 1 52 52 VAL HG11 H 1 0.892 0.020 . 2 . . 1690 . A 52 VAL HG11 . 34655 1
368 . 1 . 1 52 52 VAL HG12 H 1 0.892 0.020 . 2 . . 1690 . A 52 VAL HG12 . 34655 1
369 . 1 . 1 52 52 VAL HG13 H 1 0.892 0.020 . 2 . . 1690 . A 52 VAL HG13 . 34655 1
370 . 1 . 1 52 52 VAL HG21 H 1 0.814 0.020 . 2 . . 1691 . A 52 VAL HG21 . 34655 1
371 . 1 . 1 52 52 VAL HG22 H 1 0.814 0.020 . 2 . . 1691 . A 52 VAL HG22 . 34655 1
372 . 1 . 1 52 52 VAL HG23 H 1 0.814 0.020 . 2 . . 1691 . A 52 VAL HG23 . 34655 1
373 . 1 . 1 52 52 VAL N N 15 122.874 0.100 . 1 . . 1763 . A 52 VAL N . 34655 1
374 . 1 . 1 53 53 ASP H H 1 8.582 0.020 . 1 . . 1693 . A 53 ASP H . 34655 1
375 . 1 . 1 53 53 ASP HA H 1 4.832 0.020 . 1 . . 1694 . A 53 ASP HA . 34655 1
376 . 1 . 1 53 53 ASP HB2 H 1 2.482 0.020 . 2 . . 1695 . A 53 ASP HB2 . 34655 1
377 . 1 . 1 53 53 ASP HB3 H 1 2.284 0.020 . 2 . . 1696 . A 53 ASP HB3 . 34655 1
378 . 1 . 1 53 53 ASP N N 15 125.141 0.100 . 1 . . 1764 . A 53 ASP N . 34655 1
379 . 1 . 1 54 54 CYS H H 1 7.858 0.020 . 1 . . 1697 . A 54 CYS H . 34655 1
380 . 1 . 1 54 54 CYS HA H 1 4.626 0.020 . 1 . . 1700 . A 54 CYS HA . 34655 1
381 . 1 . 1 54 54 CYS HB2 H 1 3.381 0.020 . 2 . . 1698 . A 54 CYS HB2 . 34655 1
382 . 1 . 1 54 54 CYS HB3 H 1 3.277 0.020 . 2 . . 1699 . A 54 CYS HB3 . 34655 1
383 . 1 . 1 54 54 CYS N N 15 121.632 0.100 . 1 . . 1765 . A 54 CYS N . 34655 1
384 . 1 . 1 55 55 ASP H H 1 7.479 0.020 . 1 . . 1701 . A 55 ASP H . 34655 1
385 . 1 . 1 55 55 ASP HA H 1 4.529 0.020 . 1 . . 1702 . A 55 ASP HA . 34655 1
386 . 1 . 1 55 55 ASP HB2 H 1 2.647 0.020 . 2 . . 1703 . A 55 ASP HB2 . 34655 1
387 . 1 . 1 55 55 ASP HB3 H 1 2.523 0.020 . 2 . . 1704 . A 55 ASP HB3 . 34655 1
388 . 1 . 1 55 55 ASP N N 15 124.843 0.100 . 1 . . 1766 . A 55 ASP N . 34655 1
stop_
save_