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 31014
_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 '3D HNCO' . . . 31014 1
2 '3D HNCACB' . . . 31014 1
3 '3D CBCA(CO)NH' . . . 31014 1
4 '3D C(CO)NH' . . . 31014 1
5 '3D H(CCO)NH' . . . 31014 1
6 '3D 1H-13C NOESY' . . . 31014 1
7 '2D 1H-13C HSQC' . . . 31014 1
8 '3D 1H-15N NOESY' . . . 31014 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 GLY HA2 H 1 4.0610 0.0000 . 2 . . 8495 . A 1 GLY HA2 . 31014 1
2 . 1 . 1 1 1 GLY CA C 13 45.1771 0.0000 . 1 . . . . A 1 GLY CA . 31014 1
3 . 1 . 1 2 2 VAL H H 1 8.2219 0.0000 . 1 . . 5208 . A 2 VAL H . 31014 1
4 . 1 . 1 2 2 VAL HA H 1 4.1620 0.0000 . 1 . . 8285 . A 2 VAL HA . 31014 1
5 . 1 . 1 2 2 VAL HB H 1 2.1170 0.0000 . 1 . . 8294 . A 2 VAL HB . 31014 1
6 . 1 . 1 2 2 VAL HG11 H 1 0.9280 0.0000 . 2 . . 8297 . A 2 VAL HG11 . 31014 1
7 . 1 . 1 2 2 VAL HG12 H 1 0.9280 0.0000 . 2 . . 8297 . A 2 VAL HG12 . 31014 1
8 . 1 . 1 2 2 VAL HG13 H 1 0.9280 0.0000 . 2 . . 8297 . A 2 VAL HG13 . 31014 1
9 . 1 . 1 2 2 VAL HG21 H 1 0.9380 0.0000 . 2 . . . . A 2 VAL HG21 . 31014 1
10 . 1 . 1 2 2 VAL HG22 H 1 0.9380 0.0000 . 2 . . . . A 2 VAL HG22 . 31014 1
11 . 1 . 1 2 2 VAL HG23 H 1 0.9380 0.0000 . 2 . . . . A 2 VAL HG23 . 31014 1
12 . 1 . 1 2 2 VAL CA C 13 62.3870 0.0000 . 1 . . 8121 . A 2 VAL CA . 31014 1
13 . 1 . 1 2 2 VAL CB C 13 32.7320 0.0000 . 1 . . 5221 . A 2 VAL CB . 31014 1
14 . 1 . 1 2 2 VAL CG1 C 13 20.1500 0.0000 . 2 . . 8720 . A 2 VAL CG1 . 31014 1
15 . 1 . 1 2 2 VAL CG2 C 13 21.0360 0.0000 . 2 . . . . A 2 VAL CG2 . 31014 1
16 . 1 . 1 2 2 VAL N N 15 118.7996 0.0000 . 1 . . 5210 . A 2 VAL N . 31014 1
17 . 1 . 1 3 3 ASP H H 1 8.4281 0.0000 . 1 . . 2577 . A 3 ASP H . 31014 1
18 . 1 . 1 3 3 ASP HA H 1 4.6140 0.0000 . 1 . . 8309 . A 3 ASP HA . 31014 1
19 . 1 . 1 3 3 ASP HB2 H 1 2.6760 0.0000 . 2 . . 8324 . A 3 ASP HB2 . 31014 1
20 . 1 . 1 3 3 ASP HB3 H 1 2.5940 0.0000 . 2 . . . . A 3 ASP HB3 . 31014 1
21 . 1 . 1 3 3 ASP CA C 13 54.3553 0.0000 . 1 . . 10158 . A 3 ASP CA . 31014 1
22 . 1 . 1 3 3 ASP CB C 13 41.1940 0.0000 . 1 . . 10162 . A 3 ASP CB . 31014 1
23 . 1 . 1 3 3 ASP N N 15 123.1017 0.0000 . 1 . . 2579 . A 3 ASP N . 31014 1
24 . 1 . 1 4 4 GLU H H 1 8.1376 0.0000 . 1 . . 3127 . A 4 GLU H . 31014 1
25 . 1 . 1 4 4 GLU HA H 1 4.6160 0.0000 . 1 . . . . A 4 GLU HA . 31014 1
26 . 1 . 1 4 4 GLU CA C 13 54.2910 0.0000 . 1 . . 3146 . A 4 GLU CA . 31014 1
27 . 1 . 1 4 4 GLU CB C 13 29.8849 0.0000 . 1 . . 7531 . A 4 GLU CB . 31014 1
28 . 1 . 1 4 4 GLU N N 15 122.1843 0.0000 . 1 . . 3129 . A 4 GLU N . 31014 1
29 . 1 . 1 5 5 PRO HA H 1 4.4260 0.0000 . 1 . . 8564 . A 5 PRO HA . 31014 1
30 . 1 . 1 5 5 PRO HB2 H 1 2.2910 0.0000 . 2 . . 8573 . A 5 PRO HB2 . 31014 1
31 . 1 . 1 5 5 PRO HB3 H 1 2.2910 0.0000 . 2 . . 8570 . A 5 PRO HB3 . 31014 1
32 . 1 . 1 5 5 PRO HG2 H 1 1.9830 0.0000 . 2 . . 8573 . A 5 PRO HG2 . 31014 1
33 . 1 . 1 5 5 PRO HD2 H 1 3.7480 0.0000 . 2 . . 8567 . A 5 PRO HD2 . 31014 1
34 . 1 . 1 5 5 PRO CA C 13 63.4283 0.0000 . 1 . . 2464 . A 5 PRO CA . 31014 1
35 . 1 . 1 5 5 PRO CB C 13 32.1555 0.0000 . 1 . . 2467 . A 5 PRO CB . 31014 1
36 . 1 . 1 5 5 PRO CG C 13 27.4040 0.0000 . 1 . . 9077 . A 5 PRO CG . 31014 1
37 . 1 . 1 5 5 PRO CD C 13 50.6820 0.0000 . 1 . . 9071 . A 5 PRO CD . 31014 1
38 . 1 . 1 6 6 SER H H 1 8.5200 0.0000 . 1 . . 2466 . A 6 SER H . 31014 1
39 . 1 . 1 6 6 SER HA H 1 4.4900 0.0000 . 1 . . 8576 . A 6 SER HA . 31014 1
40 . 1 . 1 6 6 SER HB2 H 1 3.9120 0.0000 . 2 . . 8579 . A 6 SER HB2 . 31014 1
41 . 1 . 1 6 6 SER HB3 H 1 3.8610 0.0000 . 2 . . . . A 6 SER HB3 . 31014 1
42 . 1 . 1 6 6 SER CA C 13 58.5314 0.0000 . 1 . . 5309 . A 6 SER CA . 31014 1
43 . 1 . 1 6 6 SER CB C 13 63.7885 0.0000 . 1 . . 2086 . A 6 SER CB . 31014 1
44 . 1 . 1 6 6 SER N N 15 116.0905 0.0000 . 1 . . 2468 . A 6 SER N . 31014 1
45 . 1 . 1 7 7 THR H H 1 8.1274 0.0000 . 1 . . 7559 . A 7 THR H . 31014 1
46 . 1 . 1 7 7 THR HA H 1 4.3050 0.0000 . 1 . . . . A 7 THR HA . 31014 1
47 . 1 . 1 7 7 THR HB H 1 4.2320 0.0000 . 1 . . . . A 7 THR HB . 31014 1
48 . 1 . 1 7 7 THR HG21 H 1 1.1580 0.0000 . 1 . . 8351 . A 7 THR HG21 . 31014 1
49 . 1 . 1 7 7 THR HG22 H 1 1.1580 0.0000 . 1 . . 8351 . A 7 THR HG22 . 31014 1
50 . 1 . 1 7 7 THR HG23 H 1 1.1580 0.0000 . 1 . . 8351 . A 7 THR HG23 . 31014 1
51 . 1 . 1 7 7 THR CA C 13 62.0411 0.0000 . 1 . . 8165 . A 7 THR CA . 31014 1
52 . 1 . 1 7 7 THR CB C 13 69.7748 0.0000 . 1 . . 8154 . A 7 THR CB . 31014 1
53 . 1 . 1 7 7 THR CG2 C 13 21.5400 0.0000 . 1 . . 8798 . A 7 THR CG2 . 31014 1
54 . 1 . 1 7 7 THR N N 15 115.1478 0.0000 . 1 . . 7561 . A 7 THR N . 31014 1
55 . 1 . 1 8 8 HIS H H 1 8.2414 0.0000 . 1 . . 7628 . A 8 HIS H . 31014 1
56 . 1 . 1 8 8 HIS HA H 1 4.5852 0.0000 . 1 . . . . A 8 HIS HA . 31014 1
57 . 1 . 1 8 8 HIS HB2 H 1 3.1496 0.0000 . 2 . . . . A 8 HIS HB2 . 31014 1
58 . 1 . 1 8 8 HIS HD2 H 1 7.0370 0.0000 . 1 . . . . A 8 HIS HD2 . 31014 1
59 . 1 . 1 8 8 HIS HE1 H 1 7.9250 0.0000 . 1 . . . . A 8 HIS HE1 . 31014 1
60 . 1 . 1 8 8 HIS CA C 13 56.3800 0.0000 . 1 . . 9248 . A 8 HIS CA . 31014 1
61 . 1 . 1 8 8 HIS CB C 13 31.1790 0.0000 . 1 . . 10038 . A 8 HIS CB . 31014 1
62 . 1 . 1 8 8 HIS CD2 C 13 119.3507 0.0000 . 1 . . . . A 8 HIS CD2 . 31014 1
63 . 1 . 1 8 8 HIS CE1 C 13 136.9850 0.0000 . 1 . . . . A 8 HIS CE1 . 31014 1
64 . 1 . 1 8 8 HIS N N 15 121.4227 0.0000 . 1 . . 7630 . A 8 HIS N . 31014 1
65 . 1 . 1 9 9 GLU N N 15 118.0000 0.0000 . 1 . . . . A 9 GLU N . 31014 1
66 . 1 . 1 10 10 PRO HA H 1 4.1810 0.0000 . 1 . . 8387 . A 10 PRO HA . 31014 1
67 . 1 . 1 10 10 PRO HB2 H 1 2.2440 0.0000 . 2 . . . . A 10 PRO HB2 . 31014 1
68 . 1 . 1 10 10 PRO HG2 H 1 2.0240 0.0000 . 2 . . 8405 . A 10 PRO HG2 . 31014 1
69 . 1 . 1 10 10 PRO HD2 H 1 3.7430 0.0000 . 2 . . 8393 . A 10 PRO HD2 . 31014 1
70 . 1 . 1 10 10 PRO CA C 13 64.7479 0.0000 . 1 . . 2296 . A 10 PRO CA . 31014 1
71 . 1 . 1 10 10 PRO CB C 13 31.9202 0.0000 . 1 . . 2311 . A 10 PRO CB . 31014 1
72 . 1 . 1 10 10 PRO CG C 13 27.7000 0.0000 . 1 . . 8855 . A 10 PRO CG . 31014 1
73 . 1 . 1 10 10 PRO CD C 13 50.6460 0.0000 . 1 . . 8834 . A 10 PRO CD . 31014 1
74 . 1 . 1 11 11 ALA H H 1 8.6397 0.0000 . 1 . . 1809 . A 11 ALA H . 31014 1
75 . 1 . 1 11 11 ALA HA H 1 4.2020 0.0000 . 1 . . . . A 11 ALA HA . 31014 1
76 . 1 . 1 11 11 ALA HB1 H 1 1.4530 0.0000 . 1 . . 8534 . A 11 ALA HB1 . 31014 1
77 . 1 . 1 11 11 ALA HB2 H 1 1.4530 0.0000 . 1 . . 8534 . A 11 ALA HB2 . 31014 1
78 . 1 . 1 11 11 ALA HB3 H 1 1.4530 0.0000 . 1 . . 8534 . A 11 ALA HB3 . 31014 1
79 . 1 . 1 11 11 ALA CA C 13 54.9474 0.0000 . 1 . . 7497 . A 11 ALA CA . 31014 1
80 . 1 . 1 11 11 ALA CB C 13 18.6282 0.0000 . 1 . . 7493 . A 11 ALA CB . 31014 1
81 . 1 . 1 11 11 ALA N N 15 120.7070 0.0000 . 1 . . 1811 . A 11 ALA N . 31014 1
82 . 1 . 1 12 12 GLU H H 1 8.2346 0.0000 . 1 . . 2013 . A 12 GLU H . 31014 1
83 . 1 . 1 12 12 GLU HA H 1 4.0920 0.0000 . 1 . . 8315 . A 12 GLU HA . 31014 1
84 . 1 . 1 12 12 GLU HB2 H 1 2.0760 0.0000 . 2 . . 8327 . A 12 GLU HB2 . 31014 1
85 . 1 . 1 12 12 GLU HG2 H 1 2.3960 0.0000 . 2 . . 8327 . A 12 GLU HG2 . 31014 1
86 . 1 . 1 12 12 GLU CA C 13 59.1766 0.0000 . 1 . . 7489 . A 12 GLU CA . 31014 1
87 . 1 . 1 12 12 GLU CB C 13 29.2952 0.0000 . 1 . . 7485 . A 12 GLU CB . 31014 1
88 . 1 . 1 12 12 GLU CG C 13 36.6560 0.0000 . 1 . . 8753 . A 12 GLU CG . 31014 1
89 . 1 . 1 12 12 GLU N N 15 118.1223 0.0000 . 1 . . 2015 . A 12 GLU N . 31014 1
90 . 1 . 1 13 13 LYS H H 1 7.9768 0.0000 . 1 . . 2202 . A 13 LYS H . 31014 1
91 . 1 . 1 13 13 LYS HA H 1 4.0610 0.0000 . 1 . . . . A 13 LYS HA . 31014 1
92 . 1 . 1 13 13 LYS HB2 H 1 1.6560 0.0000 . 2 . . . . A 13 LYS HB2 . 31014 1
93 . 1 . 1 13 13 LYS HG2 H 1 1.3040 0.0000 . 2 . . . . A 13 LYS HG2 . 31014 1
94 . 1 . 1 13 13 LYS HG3 H 1 1.4240 0.0000 . 2 . . . . A 13 LYS HG3 . 31014 1
95 . 1 . 1 13 13 LYS HD2 H 1 1.6520 0.0000 . 2 . . . . A 13 LYS HD2 . 31014 1
96 . 1 . 1 13 13 LYS HE2 H 1 2.9481 0.0000 . 2 . . . . A 13 LYS HE2 . 31014 1
97 . 1 . 1 13 13 LYS CA C 13 58.8690 0.0000 . 1 . . 7499 . A 13 LYS CA . 31014 1
98 . 1 . 1 13 13 LYS CB C 13 32.1007 0.0000 . 1 . . 7501 . A 13 LYS CB . 31014 1
99 . 1 . 1 13 13 LYS CG C 13 24.8680 0.0000 . 1 . . 9002 . A 13 LYS CG . 31014 1
100 . 1 . 1 13 13 LYS CD C 13 29.1800 0.0000 . 1 . . 8999 . A 13 LYS CD . 31014 1
101 . 1 . 1 13 13 LYS CE C 13 42.0350 0.0000 . 1 . . 8990 . A 13 LYS CE . 31014 1
102 . 1 . 1 13 13 LYS N N 15 122.0395 0.0000 . 1 . . 2204 . A 13 LYS N . 31014 1
103 . 1 . 1 14 14 HIS H H 1 8.2009 0.0000 . 1 . . 2412 . A 14 HIS H . 31014 1
104 . 1 . 1 14 14 HIS HA H 1 4.6040 0.0000 . 1 . . . . A 14 HIS HA . 31014 1
105 . 1 . 1 14 14 HIS HB2 H 1 3.1160 0.0000 . 2 . . 8321 . A 14 HIS HB2 . 31014 1
106 . 1 . 1 14 14 HIS HD2 H 1 6.9064 0.0000 . 1 . . . . A 14 HIS HD2 . 31014 1
107 . 1 . 1 14 14 HIS CA C 13 58.0874 0.0000 . 1 . . 9920 . A 14 HIS CA . 31014 1
108 . 1 . 1 14 14 HIS CB C 13 29.7090 0.0000 . 1 . . 8762 . A 14 HIS CB . 31014 1
109 . 1 . 1 14 14 HIS CD2 C 13 119.1462 0.0000 . 1 . . . . A 14 HIS CD2 . 31014 1
110 . 1 . 1 14 14 HIS N N 15 118.8807 0.0000 . 1 . . 2414 . A 14 HIS N . 31014 1
111 . 1 . 1 15 15 LEU H H 1 8.0914 0.0000 . 1 . . 2226 . A 15 LEU H . 31014 1
112 . 1 . 1 15 15 LEU HA H 1 4.3400 0.0000 . 1 . . 8588 . A 15 LEU HA . 31014 1
113 . 1 . 1 15 15 LEU HB2 H 1 1.8460 0.0000 . 2 . . 8591 . A 15 LEU HB2 . 31014 1
114 . 1 . 1 15 15 LEU HG H 1 1.4400 0.0000 . 1 . . 8594 . A 15 LEU HG . 31014 1
115 . 1 . 1 15 15 LEU HD11 H 1 0.8190 0.0000 . 2 . . 8597 . A 15 LEU HD11 . 31014 1
116 . 1 . 1 15 15 LEU HD12 H 1 0.8190 0.0000 . 2 . . 8597 . A 15 LEU HD12 . 31014 1
117 . 1 . 1 15 15 LEU HD13 H 1 0.8190 0.0000 . 2 . . 8597 . A 15 LEU HD13 . 31014 1
118 . 1 . 1 15 15 LEU HD21 H 1 0.4350 0.0000 . 2 . . 8600 . A 15 LEU HD21 . 31014 1
119 . 1 . 1 15 15 LEU HD22 H 1 0.4350 0.0000 . 2 . . 8600 . A 15 LEU HD22 . 31014 1
120 . 1 . 1 15 15 LEU HD23 H 1 0.4350 0.0000 . 2 . . 8600 . A 15 LEU HD23 . 31014 1
121 . 1 . 1 15 15 LEU CA C 13 58.1737 0.0000 . 1 . . 9839 . A 15 LEU CA . 31014 1
122 . 1 . 1 15 15 LEU CB C 13 41.1866 0.0000 . 1 . . 5510 . A 15 LEU CB . 31014 1
123 . 1 . 1 15 15 LEU CG C 13 26.9710 0.0000 . 1 . . 9110 . A 15 LEU CG . 31014 1
124 . 1 . 1 15 15 LEU CD1 C 13 23.7040 0.0000 . 2 . . 9113 . A 15 LEU CD1 . 31014 1
125 . 1 . 1 15 15 LEU CD2 C 13 24.8360 0.0000 . 2 . . . . A 15 LEU CD2 . 31014 1
126 . 1 . 1 15 15 LEU N N 15 121.9812 0.0000 . 1 . . 2228 . A 15 LEU N . 31014 1
127 . 1 . 1 16 16 SER H H 1 8.0516 0.0000 . 1 . . 5497 . A 16 SER H . 31014 1
128 . 1 . 1 16 16 SER HA H 1 4.1166 0.0000 . 1 . . . . A 16 SER HA . 31014 1
129 . 1 . 1 16 16 SER HB2 H 1 3.9860 0.0000 . 2 . . . . A 16 SER HB2 . 31014 1
130 . 1 . 1 16 16 SER CA C 13 61.4723 0.0000 . 1 . . . . A 16 SER CA . 31014 1
131 . 1 . 1 16 16 SER CB C 13 62.6150 0.0000 . 1 . . 5504 . A 16 SER CB . 31014 1
132 . 1 . 1 16 16 SER N N 15 114.1164 0.0000 . 1 . . 5499 . A 16 SER N . 31014 1
133 . 1 . 1 17 17 GLN H H 1 7.9983 0.0000 . 1 . . 3766 . A 17 GLN H . 31014 1
134 . 1 . 1 17 17 GLN HA H 1 4.0420 0.0000 . 1 . . 8345 . A 17 GLN HA . 31014 1
135 . 1 . 1 17 17 GLN HB2 H 1 2.1160 0.0000 . 2 . . 8348 . A 17 GLN HB2 . 31014 1
136 . 1 . 1 17 17 GLN HG2 H 1 2.4790 0.0000 . 2 . . 8348 . A 17 GLN HG2 . 31014 1
137 . 1 . 1 17 17 GLN CA C 13 59.2455 0.0000 . 1 . . 8224 . A 17 GLN CA . 31014 1
138 . 1 . 1 17 17 GLN CB C 13 28.3937 0.0000 . 1 . . 8228 . A 17 GLN CB . 31014 1
139 . 1 . 1 17 17 GLN CG C 13 33.7080 0.0000 . 1 . . 8792 . A 17 GLN CG . 31014 1
140 . 1 . 1 17 17 GLN N N 15 120.8251 0.0000 . 1 . . 3768 . A 17 GLN N . 31014 1
141 . 1 . 1 18 18 CYS H H 1 8.3414 0.0000 . 1 . . 6126 . A 18 CYS H . 31014 1
142 . 1 . 1 18 18 CYS HA H 1 4.2490 0.0000 . 1 . . . . A 18 CYS HA . 31014 1
143 . 1 . 1 18 18 CYS HB2 H 1 3.5040 0.0000 . 2 . . 8543 . A 18 CYS HB2 . 31014 1
144 . 1 . 1 18 18 CYS HB3 H 1 3.1440 0.0000 . 2 . . 8549 . A 18 CYS HB3 . 31014 1
145 . 1 . 1 18 18 CYS CA C 13 60.9327 0.0000 . 1 . . 6133 . A 18 CYS CA . 31014 1
146 . 1 . 1 18 18 CYS CB C 13 36.8500 0.0000 . 1 . . 6142 . A 18 CYS CB . 31014 1
147 . 1 . 1 18 18 CYS N N 15 121.3235 0.0000 . 1 . . 6128 . A 18 CYS N . 31014 1
148 . 1 . 1 19 19 MET H H 1 8.7643 0.0000 . 1 . . 2022 . A 19 MET H . 31014 1
149 . 1 . 1 19 19 MET HA H 1 4.6790 0.0000 . 1 . . 8354 . A 19 MET HA . 31014 1
150 . 1 . 1 19 19 MET HB2 H 1 2.2650 0.0000 . 2 . . 8402 . A 19 MET HB2 . 31014 1
151 . 1 . 1 19 19 MET HG2 H 1 2.7190 0.0000 . 2 . . . . A 19 MET HG2 . 31014 1
152 . 1 . 1 19 19 MET CA C 13 58.0027 0.0000 . 1 . . 2032 . A 19 MET CA . 31014 1
153 . 1 . 1 19 19 MET CB C 13 31.9553 0.0000 . 1 . . 2053 . A 19 MET CB . 31014 1
154 . 1 . 1 19 19 MET CG C 13 33.2360 0.0000 . 1 . . 8843 . A 19 MET CG . 31014 1
155 . 1 . 1 19 19 MET N N 15 117.7708 0.0000 . 1 . . 2024 . A 19 MET N . 31014 1
156 . 1 . 1 20 20 ARG H H 1 8.0793 0.0000 . 1 . . 2301 . A 20 ARG H . 31014 1
157 . 1 . 1 20 20 ARG HA H 1 4.1130 0.0000 . 1 . . . . A 20 ARG HA . 31014 1
158 . 1 . 1 20 20 ARG HB2 H 1 1.9050 0.0000 . 2 . . . . A 20 ARG HB2 . 31014 1
159 . 1 . 1 20 20 ARG HG2 H 1 1.7370 0.0000 . 2 . . . . A 20 ARG HG2 . 31014 1
160 . 1 . 1 20 20 ARG HD2 H 1 3.2310 0.0000 . 2 . . 8471 . A 20 ARG HD2 . 31014 1
161 . 1 . 1 20 20 ARG CA C 13 59.4679 0.0000 . 1 . . 1819 . A 20 ARG CA . 31014 1
162 . 1 . 1 20 20 ARG CB C 13 30.1021 0.0000 . 1 . . 1843 . A 20 ARG CB . 31014 1
163 . 1 . 1 20 20 ARG CG C 13 27.6090 0.0000 . 1 . . 8960 . A 20 ARG CG . 31014 1
164 . 1 . 1 20 20 ARG CD C 13 43.3650 0.0000 . 1 . . 8930 . A 20 ARG CD . 31014 1
165 . 1 . 1 20 20 ARG N N 15 120.6309 0.0000 . 1 . . 2303 . A 20 ARG N . 31014 1
166 . 1 . 1 21 21 GLN H H 1 7.8936 0.0000 . 1 . . 4463 . A 21 GLN H . 31014 1
167 . 1 . 1 21 21 GLN HA H 1 4.1540 0.0000 . 1 . . 8537 . A 21 GLN HA . 31014 1
168 . 1 . 1 21 21 GLN HG2 H 1 2.5510 0.0000 . 2 . . 8552 . A 21 GLN HG2 . 31014 1
169 . 1 . 1 21 21 GLN CA C 13 58.6531 0.0000 . 1 . . 4476 . A 21 GLN CA . 31014 1
170 . 1 . 1 21 21 GLN CB C 13 27.8122 0.0000 . 1 . . 4473 . A 21 GLN CB . 31014 1
171 . 1 . 1 21 21 GLN CG C 13 33.8020 0.0000 . 1 . . 9050 . A 21 GLN CG . 31014 1
172 . 1 . 1 21 21 GLN N N 15 119.2125 0.0000 . 1 . . 4465 . A 21 GLN N . 31014 1
173 . 1 . 1 22 22 CYS H H 1 7.9261 0.0000 . 1 . . 2040 . A 22 CYS H . 31014 1
174 . 1 . 1 22 22 CYS HA H 1 4.6720 0.0000 . 1 . . 8558 . A 22 CYS HA . 31014 1
175 . 1 . 1 22 22 CYS HB2 H 1 3.1710 0.0000 . 2 . . 8561 . A 22 CYS HB2 . 31014 1
176 . 1 . 1 22 22 CYS HB3 H 1 3.1710 0.0000 . 2 . . 8561 . A 22 CYS HB3 . 31014 1
177 . 1 . 1 22 22 CYS CA C 13 55.6207 0.0000 . 1 . . 2041 . A 22 CYS CA . 31014 1
178 . 1 . 1 22 22 CYS CB C 13 35.9446 0.0000 . 1 . . 2050 . A 22 CYS CB . 31014 1
179 . 1 . 1 22 22 CYS N N 15 117.5785 0.0000 . 1 . . 2042 . A 22 CYS N . 31014 1
180 . 1 . 1 23 23 GLU H H 1 7.6756 0.0000 . 1 . . 2454 . A 23 GLU H . 31014 1
181 . 1 . 1 23 23 GLU HA H 1 4.0470 0.0000 . 1 . . 8582 . A 23 GLU HA . 31014 1
182 . 1 . 1 23 23 GLU HG2 H 1 2.4700 0.0000 . 2 . . 8585 . A 23 GLU HG2 . 31014 1
183 . 1 . 1 23 23 GLU HG3 H 1 2.4700 0.0000 . 2 . . 8585 . A 23 GLU HG3 . 31014 1
184 . 1 . 1 23 23 GLU CA C 13 58.1202 0.0000 . 1 . . 2065 . A 23 GLU CA . 31014 1
185 . 1 . 1 23 23 GLU CB C 13 29.4670 0.0000 . 1 . . 2077 . A 23 GLU CB . 31014 1
186 . 1 . 1 23 23 GLU CG C 13 36.0690 0.0000 . 1 . . 9098 . A 23 GLU CG . 31014 1
187 . 1 . 1 23 23 GLU N N 15 116.9981 0.0000 . 1 . . 2456 . A 23 GLU N . 31014 1
188 . 1 . 1 24 24 ARG H H 1 7.4170 0.0000 . 1 . . 2091 . A 24 ARG H . 31014 1
189 . 1 . 1 24 24 ARG HA H 1 4.3420 0.0000 . 1 . . 8510 . A 24 ARG HA . 31014 1
190 . 1 . 1 24 24 ARG HB2 H 1 2.0920 0.0000 . 2 . . . . A 24 ARG HB2 . 31014 1
191 . 1 . 1 24 24 ARG HG2 H 1 1.7880 0.0000 . 2 . . 8531 . A 24 ARG HG2 . 31014 1
192 . 1 . 1 24 24 ARG HD2 H 1 3.2520 0.0000 . 2 . . 8522 . A 24 ARG HD2 . 31014 1
193 . 1 . 1 24 24 ARG CA C 13 56.4112 0.0000 . 1 . . 5342 . A 24 ARG CA . 31014 1
194 . 1 . 1 24 24 ARG CB C 13 30.3441 0.0000 . 1 . . 2098 . A 24 ARG CB . 31014 1
195 . 1 . 1 24 24 ARG CG C 13 27.3070 0.0000 . 1 . . 9026 . A 24 ARG CG . 31014 1
196 . 1 . 1 24 24 ARG CD C 13 43.4140 0.0000 . 1 . . 9014 . A 24 ARG CD . 31014 1
197 . 1 . 1 24 24 ARG N N 15 114.8897 0.0000 . 1 . . 2093 . A 24 ARG N . 31014 1
198 . 1 . 1 25 25 GLN H H 1 7.5085 0.0000 . 1 . . 1989 . A 25 GLN H . 31014 1
199 . 1 . 1 25 25 GLN HA H 1 4.2600 0.0000 . 1 . . 8336 . A 25 GLN HA . 31014 1
200 . 1 . 1 25 25 GLN HB2 H 1 1.9947 0.0000 . 2 . . . . A 25 GLN HB2 . 31014 1
201 . 1 . 1 25 25 GLN HG2 H 1 2.4290 0.0000 . 2 . . 8339 . A 25 GLN HG2 . 31014 1
202 . 1 . 1 25 25 GLN CA C 13 55.5915 0.0000 . 1 . . 9208 . A 25 GLN CA . 31014 1
203 . 1 . 1 25 25 GLN CB C 13 28.8925 0.0000 . 1 . . 9204 . A 25 GLN CB . 31014 1
204 . 1 . 1 25 25 GLN CG C 13 33.9970 0.0000 . 1 . . 8783 . A 25 GLN CG . 31014 1
205 . 1 . 1 25 25 GLN N N 15 118.2742 0.0000 . 1 . . 1991 . A 25 GLN N . 31014 1
206 . 1 . 1 26 26 GLU H H 1 8.5442 0.0000 . 1 . . 1719 . A 26 GLU H . 31014 1
207 . 1 . 1 26 26 GLU HA H 1 4.2840 0.0000 . 1 . . 8633 . A 26 GLU HA . 31014 1
208 . 1 . 1 26 26 GLU HG2 H 1 2.3020 0.0000 . 2 . . 8636 . A 26 GLU HG2 . 31014 1
209 . 1 . 1 26 26 GLU CA C 13 57.0343 0.0000 . 1 . . 1720 . A 26 GLU CA . 31014 1
210 . 1 . 1 26 26 GLU CB C 13 30.6163 0.0000 . 1 . . 1738 . A 26 GLU CB . 31014 1
211 . 1 . 1 26 26 GLU CG C 13 36.1590 0.0000 . 1 . . 9167 . A 26 GLU CG . 31014 1
212 . 1 . 1 26 26 GLU N N 15 121.5071 0.0000 . 1 . . 1721 . A 26 GLU N . 31014 1
213 . 1 . 1 27 27 GLY H H 1 8.4129 0.0000 . 1 . . 2544 . A 27 GLY H . 31014 1
214 . 1 . 1 27 27 GLY HA2 H 1 4.2604 0.0000 . 2 . . . . A 27 GLY HA2 . 31014 1
215 . 1 . 1 27 27 GLY HA3 H 1 3.9284 0.0000 . 2 . . . . A 27 GLY HA3 . 31014 1
216 . 1 . 1 27 27 GLY CA C 13 45.0884 0.0000 . 1 . . 10206 . A 27 GLY CA . 31014 1
217 . 1 . 1 27 27 GLY N N 15 110.4441 0.0000 . 1 . . 2546 . A 27 GLY N . 31014 1
218 . 1 . 1 28 28 GLY N N 15 118.0000 0.0000 . 1 . . . . A 28 GLY N . 31014 1
219 . 1 . 1 29 29 GLN HA H 1 4.1780 0.0000 . 1 . . 8462 . A 29 GLN HA . 31014 1
220 . 1 . 1 29 29 GLN HG2 H 1 2.4200 0.0000 . 2 . . 8477 . A 29 GLN HG2 . 31014 1
221 . 1 . 1 29 29 GLN CA C 13 58.7428 0.0000 . 1 . . 2368 . A 29 GLN CA . 31014 1
222 . 1 . 1 29 29 GLN CB C 13 28.3846 0.0000 . 1 . . 2392 . A 29 GLN CB . 31014 1
223 . 1 . 1 29 29 GLN CG C 13 33.8780 0.0000 . 1 . . 8948 . A 29 GLN CG . 31014 1
224 . 1 . 1 29 29 GLN N N 15 118.0000 0.0000 . 1 . . . . A 29 GLN N . 31014 1
225 . 1 . 1 30 30 GLN H H 1 8.5544 0.0000 . 1 . . 2391 . A 30 GLN H . 31014 1
226 . 1 . 1 30 30 GLN HA H 1 4.1010 0.0000 . 1 . . . . A 30 GLN HA . 31014 1
227 . 1 . 1 30 30 GLN HG2 H 1 2.5400 0.0000 . 2 . . . . A 30 GLN HG2 . 31014 1
228 . 1 . 1 30 30 GLN CA C 13 59.1244 0.0000 . 1 . . 1909 . A 30 GLN CA . 31014 1
229 . 1 . 1 30 30 GLN CG C 13 34.6380 0.0000 . 1 . . . . A 30 GLN CG . 31014 1
230 . 1 . 1 30 30 GLN N N 15 119.2671 0.0000 . 1 . . 2393 . A 30 GLN N . 31014 1
231 . 1 . 1 31 31 LYS H H 1 8.1677 0.0000 . 1 . . 9268 . A 31 LYS H . 31014 1
232 . 1 . 1 31 31 LYS HA H 1 3.8460 0.0000 . 1 . . 8519 . A 31 LYS HA . 31014 1
233 . 1 . 1 31 31 LYS HB2 H 1 1.7650 0.0000 . 2 . . 8528 . A 31 LYS HB2 . 31014 1
234 . 1 . 1 31 31 LYS HG2 H 1 1.5380 0.0000 . 2 . . . . A 31 LYS HG2 . 31014 1
235 . 1 . 1 31 31 LYS HD2 H 1 1.8474 0.0000 . 2 . . . . A 31 LYS HD2 . 31014 1
236 . 1 . 1 31 31 LYS HE2 H 1 3.1601 0.0000 . 2 . . . . A 31 LYS HE2 . 31014 1
237 . 1 . 1 31 31 LYS CA C 13 61.0185 0.0000 . 1 . . 9476 . A 31 LYS CA . 31014 1
238 . 1 . 1 31 31 LYS CB C 13 32.6750 0.0000 . 1 . . 9020 . A 31 LYS CB . 31014 1
239 . 1 . 1 31 31 LYS CG C 13 25.3480 0.0000 . 1 . . 9029 . A 31 LYS CG . 31014 1
240 . 1 . 1 31 31 LYS CD C 13 29.9460 0.0000 . 1 . . 9023 . A 31 LYS CD . 31014 1
241 . 1 . 1 31 31 LYS CE C 13 42.2860 0.0000 . 1 . . 9017 . A 31 LYS CE . 31014 1
242 . 1 . 1 31 31 LYS N N 15 121.5526 0.0000 . 1 . . 9270 . A 31 LYS N . 31014 1
243 . 1 . 1 32 32 GLN H H 1 8.0210 0.0000 . 1 . . 2010 . A 32 GLN H . 31014 1
244 . 1 . 1 32 32 GLN HA H 1 4.0080 0.0000 . 1 . . 8363 . A 32 GLN HA . 31014 1
245 . 1 . 1 32 32 GLN HB2 H 1 2.1389 0.0000 . 2 . . . . A 32 GLN HB2 . 31014 1
246 . 1 . 1 32 32 GLN HG2 H 1 2.3730 0.0000 . 2 . . 8381 . A 32 GLN HG2 . 31014 1
247 . 1 . 1 32 32 GLN CA C 13 59.2025 0.0000 . 1 . . 9262 . A 32 GLN CA . 31014 1
248 . 1 . 1 32 32 GLN CB C 13 28.2631 0.0000 . 1 . . 9266 . A 32 GLN CB . 31014 1
249 . 1 . 1 32 32 GLN CG C 13 33.6740 0.0000 . 1 . . 8822 . A 32 GLN CG . 31014 1
250 . 1 . 1 32 32 GLN N N 15 118.1999 0.0000 . 1 . . 2012 . A 32 GLN N . 31014 1
251 . 1 . 1 33 33 LEU H H 1 8.1486 0.0000 . 1 . . 1767 . A 33 LEU H . 31014 1
252 . 1 . 1 33 33 LEU HA H 1 4.1990 0.0000 . 1 . . 8468 . A 33 LEU HA . 31014 1
253 . 1 . 1 33 33 LEU HB2 H 1 1.9110 0.0000 . 2 . . 8486 . A 33 LEU HB2 . 31014 1
254 . 1 . 1 33 33 LEU HG H 1 1.7670 0.0000 . 1 . . . . A 33 LEU HG . 31014 1
255 . 1 . 1 33 33 LEU HD11 H 1 0.9500 0.0000 . 2 . . 8492 . A 33 LEU HD11 . 31014 1
256 . 1 . 1 33 33 LEU HD12 H 1 0.9500 0.0000 . 2 . . 8492 . A 33 LEU HD12 . 31014 1
257 . 1 . 1 33 33 LEU HD13 H 1 0.9500 0.0000 . 2 . . 8492 . A 33 LEU HD13 . 31014 1
258 . 1 . 1 33 33 LEU HD21 H 1 0.9150 0.0000 . 2 . . . . A 33 LEU HD21 . 31014 1
259 . 1 . 1 33 33 LEU HD22 H 1 0.9150 0.0000 . 2 . . . . A 33 LEU HD22 . 31014 1
260 . 1 . 1 33 33 LEU HD23 H 1 0.9150 0.0000 . 2 . . . . A 33 LEU HD23 . 31014 1
261 . 1 . 1 33 33 LEU CA C 13 57.9932 0.0000 . 1 . . 3714 . A 33 LEU CA . 31014 1
262 . 1 . 1 33 33 LEU CB C 13 41.7389 0.0000 . 1 . . 1783 . A 33 LEU CB . 31014 1
263 . 1 . 1 33 33 LEU CG C 13 27.1600 0.0000 . 1 . . . . A 33 LEU CG . 31014 1
264 . 1 . 1 33 33 LEU CD1 C 13 24.1940 0.0000 . 2 . . 8969 . A 33 LEU CD1 . 31014 1
265 . 1 . 1 33 33 LEU CD2 C 13 24.0817 0.0000 . 2 . . . . A 33 LEU CD2 . 31014 1
266 . 1 . 1 33 33 LEU N N 15 121.0123 0.0000 . 1 . . 1769 . A 33 LEU N . 31014 1
267 . 1 . 1 34 34 CYS H H 1 7.9218 0.0000 . 1 . . 2655 . A 34 CYS H . 31014 1
268 . 1 . 1 34 34 CYS HA H 1 4.2178 0.0000 . 1 . . . . A 34 CYS HA . 31014 1
269 . 1 . 1 34 34 CYS HB2 H 1 3.0491 0.0000 . 2 . . . . A 34 CYS HB2 . 31014 1
270 . 1 . 1 34 34 CYS HB3 H 1 3.5184 0.0000 . 2 . . . . A 34 CYS HB3 . 31014 1
271 . 1 . 1 34 34 CYS CA C 13 60.1593 0.0000 . 1 . . . . A 34 CYS CA . 31014 1
272 . 1 . 1 34 34 CYS CB C 13 35.3504 0.0000 . 1 . . 1933 . A 34 CYS CB . 31014 1
273 . 1 . 1 34 34 CYS N N 15 119.1721 0.0000 . 1 . . 2657 . A 34 CYS N . 31014 1
274 . 1 . 1 35 35 ARG H H 1 8.3726 0.0000 . 1 . . 1755 . A 35 ARG H . 31014 1
275 . 1 . 1 35 35 ARG HA H 1 4.1490 0.0000 . 1 . . . . A 35 ARG HA . 31014 1
276 . 1 . 1 35 35 ARG HB2 H 1 1.7010 0.0000 . 2 . . . . A 35 ARG HB2 . 31014 1
277 . 1 . 1 35 35 ARG HB3 H 1 1.8890 0.0000 . 2 . . . . A 35 ARG HB3 . 31014 1
278 . 1 . 1 35 35 ARG HG2 H 1 1.4900 0.0000 . 2 . . . . A 35 ARG HG2 . 31014 1
279 . 1 . 1 35 35 ARG HD2 H 1 3.1080 0.0000 . 2 . . . . A 35 ARG HD2 . 31014 1
280 . 1 . 1 35 35 ARG CA C 13 60.2191 0.0000 . 1 . . 1756 . A 35 ARG CA . 31014 1
281 . 1 . 1 35 35 ARG CB C 13 28.9650 0.0000 . 1 . . 1798 . A 35 ARG CB . 31014 1
282 . 1 . 1 35 35 ARG CG C 13 25.0980 0.0000 . 1 . . . . A 35 ARG CG . 31014 1
283 . 1 . 1 35 35 ARG CD C 13 42.2450 0.0000 . 1 . . . . A 35 ARG CD . 31014 1
284 . 1 . 1 35 35 ARG N N 15 120.9908 0.0000 . 1 . . 1757 . A 35 ARG N . 31014 1
285 . 1 . 1 36 36 PHE H H 1 8.3219 0.0000 . 1 . . 1815 . A 36 PHE H . 31014 1
286 . 1 . 1 36 36 PHE HA H 1 4.4080 0.0000 . 1 . . 8444 . A 36 PHE HA . 31014 1
287 . 1 . 1 36 36 PHE HB2 H 1 3.3470 0.0000 . 2 . . 8459 . A 36 PHE HB2 . 31014 1
288 . 1 . 1 36 36 PHE HE1 H 1 7.2670 0.0000 . 3 . . . . A 36 PHE HE1 . 31014 1
289 . 1 . 1 36 36 PHE HE2 H 1 7.3486 0.0000 . 3 . . . . A 36 PHE HE2 . 31014 1
290 . 1 . 1 36 36 PHE CA C 13 60.8041 0.0000 . 1 . . 3933 . A 36 PHE CA . 31014 1
291 . 1 . 1 36 36 PHE CB C 13 38.6500 0.0000 . 1 . . 1831 . A 36 PHE CB . 31014 1
292 . 1 . 1 36 36 PHE CE1 C 13 130.5970 0.0000 . 3 . . . . A 36 PHE CE1 . 31014 1
293 . 1 . 1 36 36 PHE CE2 C 13 130.6108 0.0000 . 3 . . . . A 36 PHE CE2 . 31014 1
294 . 1 . 1 36 36 PHE N N 15 120.5931 0.0000 . 1 . . 1817 . A 36 PHE N . 31014 1
295 . 1 . 1 37 37 ARG H H 1 8.3861 0.0000 . 1 . . 4194 . A 37 ARG H . 31014 1
296 . 1 . 1 37 37 ARG HA H 1 4.0230 0.0000 . 1 . . 8540 . A 37 ARG HA . 31014 1
297 . 1 . 1 37 37 ARG HB2 H 1 1.9890 0.0000 . 2 . . . . A 37 ARG HB2 . 31014 1
298 . 1 . 1 37 37 ARG HB3 H 1 2.1000 0.0000 . 2 . . . . A 37 ARG HB3 . 31014 1
299 . 1 . 1 37 37 ARG HG2 H 1 1.7560 0.0000 . 2 . . . . A 37 ARG HG2 . 31014 1
300 . 1 . 1 37 37 ARG HD2 H 1 3.2550 0.0000 . 2 . . 8546 . A 37 ARG HD2 . 31014 1
301 . 1 . 1 37 37 ARG CA C 13 59.8238 0.0000 . 1 . . 4210 . A 37 ARG CA . 31014 1
302 . 1 . 1 37 37 ARG CB C 13 29.6662 0.0000 . 1 . . 4201 . A 37 ARG CB . 31014 1
303 . 1 . 1 37 37 ARG CG C 13 28.1090 0.0000 . 1 . . 9056 . A 37 ARG CG . 31014 1
304 . 1 . 1 37 37 ARG CD C 13 43.6390 0.0000 . 1 . . 9044 . A 37 ARG CD . 31014 1
305 . 1 . 1 37 37 ARG N N 15 119.6413 0.0000 . 1 . . 4196 . A 37 ARG N . 31014 1
306 . 1 . 1 38 38 CYS H H 1 8.2758 0.0000 . 1 . . 2055 . A 38 CYS H . 31014 1
307 . 1 . 1 38 38 CYS HA H 1 4.4490 0.0000 . 1 . . . . A 38 CYS HA . 31014 1
308 . 1 . 1 38 38 CYS HB2 H 1 3.4540 0.0000 . 2 . . 8369 . A 38 CYS HB2 . 31014 1
309 . 1 . 1 38 38 CYS HB3 H 1 3.0040 0.0000 . 2 . . 8375 . A 38 CYS HB3 . 31014 1
310 . 1 . 1 38 38 CYS CA C 13 57.3058 0.0000 . 1 . . 2038 . A 38 CYS CA . 31014 1
311 . 1 . 1 38 38 CYS CB C 13 37.4638 0.0000 . 1 . . 2044 . A 38 CYS CB . 31014 1
312 . 1 . 1 38 38 CYS N N 15 117.7698 0.0000 . 1 . . 2057 . A 38 CYS N . 31014 1
313 . 1 . 1 39 39 GLN H H 1 8.2150 0.0000 . 1 . . 1761 . A 39 GLN H . 31014 1
314 . 1 . 1 39 39 GLN HA H 1 4.0100 0.0000 . 1 . . . . A 39 GLN HA . 31014 1
315 . 1 . 1 39 39 GLN HB2 H 1 1.9590 0.0000 . 2 . . 8450 . A 39 GLN HB2 . 31014 1
316 . 1 . 1 39 39 GLN HG2 H 1 2.4740 0.0000 . 2 . . . . A 39 GLN HG2 . 31014 1
317 . 1 . 1 39 39 GLN CA C 13 59.1856 0.0000 . 1 . . 9224 . A 39 GLN CA . 31014 1
318 . 1 . 1 39 39 GLN CB C 13 28.0679 0.0000 . 1 . . 9228 . A 39 GLN CB . 31014 1
319 . 1 . 1 39 39 GLN CG C 13 34.0500 0.0000 . 1 . . . . A 39 GLN CG . 31014 1
320 . 1 . 1 39 39 GLN N N 15 120.8831 0.0000 . 1 . . 1763 . A 39 GLN N . 31014 1
321 . 1 . 1 40 40 GLU H H 1 8.4018 0.0000 . 1 . . 4233 . A 40 GLU H . 31014 1
322 . 1 . 1 40 40 GLU HA H 1 3.9390 0.0000 . 1 . . . . A 40 GLU HA . 31014 1
323 . 1 . 1 40 40 GLU HB2 H 1 1.7420 0.0000 . 2 . . . . A 40 GLU HB2 . 31014 1
324 . 1 . 1 40 40 GLU HG2 H 1 1.9230 0.0000 . 2 . . . . A 40 GLU HG2 . 31014 1
325 . 1 . 1 40 40 GLU CA C 13 59.0251 0.0000 . 1 . . 9763 . A 40 GLU CA . 31014 1
326 . 1 . 1 40 40 GLU CB C 13 29.9155 0.0000 . 1 . . 9761 . A 40 GLU CB . 31014 1
327 . 1 . 1 40 40 GLU CG C 13 36.6340 0.0000 . 1 . . 8942 . A 40 GLU CG . 31014 1
328 . 1 . 1 40 40 GLU N N 15 120.1892 0.0000 . 1 . . 4235 . A 40 GLU N . 31014 1
329 . 1 . 1 41 41 ARG H H 1 7.9200 0.0000 . 1 . . 2361 . A 41 ARG H . 31014 1
330 . 1 . 1 41 41 ARG HA H 1 4.0160 0.0000 . 1 . . 8465 . A 41 ARG HA . 31014 1
331 . 1 . 1 41 41 ARG HB2 H 1 1.6680 0.0000 . 2 . . . . A 41 ARG HB2 . 31014 1
332 . 1 . 1 41 41 ARG HB3 H 1 1.8560 0.0000 . 2 . . . . A 41 ARG HB3 . 31014 1
333 . 1 . 1 41 41 ARG HG2 H 1 1.4570 0.0000 . 2 . . . . A 41 ARG HG2 . 31014 1
334 . 1 . 1 41 41 ARG HD2 H 1 3.1430 0.0000 . 2 . . . . A 41 ARG HD2 . 31014 1
335 . 1 . 1 41 41 ARG CA C 13 59.1203 0.0000 . 1 . . 6209 . A 41 ARG CA . 31014 1
336 . 1 . 1 41 41 ARG CB C 13 30.1034 0.0000 . 1 . . 1942 . A 41 ARG CB . 31014 1
337 . 1 . 1 41 41 ARG CG C 13 27.3180 0.0000 . 1 . . 8963 . A 41 ARG CG . 31014 1
338 . 1 . 1 41 41 ARG CD C 13 43.5360 0.0000 . 1 . . 8927 . A 41 ARG CD . 31014 1
339 . 1 . 1 41 41 ARG N N 15 119.2346 0.0000 . 1 . . 2363 . A 41 ARG N . 31014 1
340 . 1 . 1 42 42 TYR H H 1 7.7696 0.0000 . 1 . . 4637 . A 42 TYR H . 31014 1
341 . 1 . 1 42 42 TYR HA H 1 4.6480 0.0000 . 1 . . . . A 42 TYR HA . 31014 1
342 . 1 . 1 42 42 TYR HB2 H 1 3.0850 0.0000 . 2 . . . . A 42 TYR HB2 . 31014 1
343 . 1 . 1 42 42 TYR HB3 H 1 3.2250 0.0000 . 2 . . 8504 . A 42 TYR HB3 . 31014 1
344 . 1 . 1 42 42 TYR HD1 H 1 7.1600 0.0000 . 3 . . . . A 42 TYR HD1 . 31014 1
345 . 1 . 1 42 42 TYR HD2 H 1 7.8015 0.0000 . 3 . . . . A 42 TYR HD2 . 31014 1
346 . 1 . 1 42 42 TYR HE1 H 1 6.6590 0.0000 . 3 . . . . A 42 TYR HE1 . 31014 1
347 . 1 . 1 42 42 TYR CA C 13 60.1818 0.0000 . 1 . . 9250 . A 42 TYR CA . 31014 1
348 . 1 . 1 42 42 TYR CB C 13 39.0538 0.0000 . 1 . . 9254 . A 42 TYR CB . 31014 1
349 . 1 . 1 42 42 TYR CD1 C 13 132.9000 0.0000 . 3 . . . . A 42 TYR CD1 . 31014 1
350 . 1 . 1 42 42 TYR CD2 C 13 137.7780 0.0000 . 3 . . . . A 42 TYR CD2 . 31014 1
351 . 1 . 1 42 42 TYR CE1 C 13 117.2140 0.0000 . 3 . . . . A 42 TYR CE1 . 31014 1
352 . 1 . 1 42 42 TYR N N 15 119.2509 0.0000 . 1 . . 4639 . A 42 TYR N . 31014 1
353 . 1 . 1 43 43 LYS H H 1 7.9506 0.0000 . 1 . . 1965 . A 43 LYS H . 31014 1
354 . 1 . 1 43 43 LYS HA H 1 3.8610 0.0000 . 1 . . 8465 . A 43 LYS HA . 31014 1
355 . 1 . 1 43 43 LYS HB2 H 1 1.8600 0.0000 . 2 . . 8483 . A 43 LYS HB2 . 31014 1
356 . 1 . 1 43 43 LYS HG2 H 1 1.4900 0.0000 . 2 . . . . A 43 LYS HG2 . 31014 1
357 . 1 . 1 43 43 LYS HD2 H 1 1.6790 0.0000 . 2 . . . . A 43 LYS HD2 . 31014 1
358 . 1 . 1 43 43 LYS HE2 H 1 2.9481 0.0000 . 2 . . 8474 . A 43 LYS HE2 . 31014 1
359 . 1 . 1 43 43 LYS CA C 13 59.1847 0.0000 . 1 . . 8216 . A 43 LYS CA . 31014 1
360 . 1 . 1 43 43 LYS CB C 13 32.4830 0.0000 . 1 . . 8214 . A 43 LYS CB . 31014 1
361 . 1 . 1 43 43 LYS CG C 13 25.3840 0.0000 . 1 . . 8966 . A 43 LYS CG . 31014 1
362 . 1 . 1 43 43 LYS CD C 13 29.7700 0.0000 . 1 . . 8957 . A 43 LYS CD . 31014 1
363 . 1 . 1 43 43 LYS CE C 13 42.0540 0.0000 . 1 . . 8927 . A 43 LYS CE . 31014 1
364 . 1 . 1 43 43 LYS N N 15 119.0044 0.0000 . 1 . . 1967 . A 43 LYS N . 31014 1
365 . 1 . 1 44 44 LYS H H 1 7.7713 0.0000 . 1 . . 4649 . A 44 LYS H . 31014 1
366 . 1 . 1 44 44 LYS HA H 1 4.1380 0.0000 . 1 . . . . A 44 LYS HA . 31014 1
367 . 1 . 1 44 44 LYS HB2 H 1 1.9000 0.0000 . 2 . . . . A 44 LYS HB2 . 31014 1
368 . 1 . 1 44 44 LYS HG2 H 1 1.4360 0.0000 . 2 . . . . A 44 LYS HG2 . 31014 1
369 . 1 . 1 44 44 LYS HD2 H 1 1.7010 0.0000 . 2 . . . . A 44 LYS HD2 . 31014 1
370 . 1 . 1 44 44 LYS HE2 H 1 2.9481 0.0000 . 2 . . . . A 44 LYS HE2 . 31014 1
371 . 1 . 1 44 44 LYS CA C 13 58.0511 0.0000 . 1 . . 9789 . A 44 LYS CA . 31014 1
372 . 1 . 1 44 44 LYS CB C 13 32.7831 0.0000 . 1 . . 9793 . A 44 LYS CB . 31014 1
373 . 1 . 1 44 44 LYS CG C 13 25.3740 0.0000 . 1 . . . . A 44 LYS CG . 31014 1
374 . 1 . 1 44 44 LYS CD C 13 29.0520 0.0000 . 1 . . 8852 . A 44 LYS CD . 31014 1
375 . 1 . 1 44 44 LYS CE C 13 42.1810 0.0000 . 1 . . . . A 44 LYS CE . 31014 1
376 . 1 . 1 44 44 LYS N N 15 119.1838 0.0000 . 1 . . 4651 . A 44 LYS N . 31014 1
377 . 1 . 1 45 45 GLU H H 1 8.3303 0.0000 . 1 . . 1821 . A 45 GLU H . 31014 1
378 . 1 . 1 45 45 GLU HA H 1 4.0610 0.0000 . 1 . . 8495 . A 45 GLU HA . 31014 1
379 . 1 . 1 45 45 GLU HB2 H 1 2.3410 0.0000 . 2 . . 8480 . A 45 GLU HB2 . 31014 1
380 . 1 . 1 45 45 GLU CA C 13 58.2250 0.0000 . 1 . . 9785 . A 45 GLU CA . 31014 1
381 . 1 . 1 45 45 GLU CB C 13 30.2286 0.0000 . 1 . . 9787 . A 45 GLU CB . 31014 1
382 . 1 . 1 45 45 GLU CG C 13 36.5880 0.0000 . 1 . . 8936 . A 45 GLU CG . 31014 1
383 . 1 . 1 45 45 GLU N N 15 120.4356 0.0000 . 1 . . 1823 . A 45 GLU N . 31014 1
384 . 1 . 1 46 46 ARG H H 1 8.2094 0.0000 . 1 . . 2382 . A 46 ARG H . 31014 1
385 . 1 . 1 46 46 ARG HA H 1 4.0880 0.0000 . 1 . . 8639 . A 46 ARG HA . 31014 1
386 . 1 . 1 46 46 ARG HB2 H 1 1.5460 0.0000 . 2 . . 8645 . A 46 ARG HB2 . 31014 1
387 . 1 . 1 46 46 ARG HG2 H 1 1.3740 0.0000 . 2 . . . . A 46 ARG HG2 . 31014 1
388 . 1 . 1 46 46 ARG HD2 H 1 2.9080 0.0000 . 2 . . 8642 . A 46 ARG HD2 . 31014 1
389 . 1 . 1 46 46 ARG CA C 13 56.9419 0.0000 . 1 . . 9805 . A 46 ARG CA . 31014 1
390 . 1 . 1 46 46 ARG CB C 13 30.0142 0.0000 . 1 . . 9809 . A 46 ARG CB . 31014 1
391 . 1 . 1 46 46 ARG CG C 13 26.5860 0.0000 . 1 . . 9200 . A 46 ARG CG . 31014 1
392 . 1 . 1 46 46 ARG CD C 13 42.9540 0.0000 . 1 . . . . A 46 ARG CD . 31014 1
393 . 1 . 1 46 46 ARG N N 15 119.0990 0.0000 . 1 . . 2384 . A 46 ARG N . 31014 1
394 . 1 . 1 47 47 GLY H H 1 8.0339 0.0000 . 1 . . 2718 . A 47 GLY H . 31014 1
395 . 1 . 1 47 47 GLY HA2 H 1 3.9810 0.0000 . 2 . . 8255 . A 47 GLY HA2 . 31014 1
396 . 1 . 1 47 47 GLY CA C 13 45.4244 0.0000 . 1 . . 9216 . A 47 GLY CA . 31014 1
397 . 1 . 1 47 47 GLY N N 15 108.1201 0.0000 . 1 . . 2720 . A 47 GLY N . 31014 1
398 . 1 . 1 48 48 GLN H H 1 7.9496 0.0000 . 1 . . 1611 . A 48 GLN H . 31014 1
399 . 1 . 1 48 48 GLN HA H 1 4.4516 0.0000 . 1 . . . . A 48 GLN HA . 31014 1
400 . 1 . 1 48 48 GLN HB2 H 1 1.9641 0.0000 . 2 . . . . A 48 GLN HB2 . 31014 1
401 . 1 . 1 48 48 GLN HB3 H 1 2.0460 0.0000 . 2 . . . . A 48 GLN HB3 . 31014 1
402 . 1 . 1 48 48 GLN CA C 13 57.3475 0.0000 . 1 . . 1609 . A 48 GLN CA . 31014 1
403 . 1 . 1 48 48 GLN CB C 13 30.5488 0.0000 . 1 . . 10180 . A 48 GLN CB . 31014 1
404 . 1 . 1 48 48 GLN N N 15 124.5994 0.0000 . 1 . . 1613 . A 48 GLN N . 31014 1
405 . 1 . 1 49 49 HIS HA H 1 4.5673 0.0000 . 1 . . 8423 . A 49 HIS HA . 31014 1
406 . 1 . 1 49 49 HIS HB2 H 1 2.9988 0.0000 . 2 . . . . A 49 HIS HB2 . 31014 1
407 . 1 . 1 49 49 HIS HD2 H 1 6.9064 0.0000 . 1 . . . . A 49 HIS HD2 . 31014 1
408 . 1 . 1 49 49 HIS CA C 13 56.2310 0.0000 . 1 . . . . A 49 HIS CA . 31014 1
409 . 1 . 1 49 49 HIS CB C 13 30.8400 0.0000 . 1 . . . . A 49 HIS CB . 31014 1
410 . 1 . 1 49 49 HIS CD2 C 13 119.1000 0.0000 . 1 . . . . A 49 HIS CD2 . 31014 1
411 . 1 . 1 49 49 HIS N N 15 118.0000 0.0000 . 1 . . . . A 49 HIS N . 31014 1
412 . 1 . 1 50 50 ASN N N 15 118.0000 0.0000 . 1 . . . . A 50 ASN N . 31014 1
413 . 1 . 1 51 51 TYR HA H 1 4.5140 0.0000 . 1 . . 8261 . A 51 TYR HA . 31014 1
414 . 1 . 1 51 51 TYR HB2 H 1 2.9870 0.0000 . 2 . . 8264 . A 51 TYR HB2 . 31014 1
415 . 1 . 1 51 51 TYR HD1 H 1 7.0858 0.0000 . 3 . . . . A 51 TYR HD1 . 31014 1
416 . 1 . 1 51 51 TYR HE1 H 1 6.8047 0.0000 . 3 . . . . A 51 TYR HE1 . 31014 1
417 . 1 . 1 51 51 TYR CA C 13 58.1045 0.0000 . 1 . . 2895 . A 51 TYR CA . 31014 1
418 . 1 . 1 51 51 TYR CB C 13 38.8072 0.0000 . 1 . . 2898 . A 51 TYR CB . 31014 1
419 . 1 . 1 51 51 TYR CD1 C 13 132.4850 0.0000 . 3 . . . . A 51 TYR CD1 . 31014 1
420 . 1 . 1 51 51 TYR CE1 C 13 117.6490 0.0000 . 3 . . . . A 51 TYR CE1 . 31014 1
421 . 1 . 1 51 51 TYR N N 15 118.0000 0.0000 . 1 . . . . A 51 TYR N . 31014 1
422 . 1 . 1 52 52 LYS H H 1 8.1621 0.0000 . 1 . . 2894 . A 52 LYS H . 31014 1
423 . 1 . 1 52 52 LYS HA H 1 4.2710 0.0000 . 1 . . . . A 52 LYS HA . 31014 1
424 . 1 . 1 52 52 LYS HB2 H 1 1.7450 0.0000 . 2 . . . . A 52 LYS HB2 . 31014 1
425 . 1 . 1 52 52 LYS HG2 H 1 1.3350 0.0000 . 2 . . . . A 52 LYS HG2 . 31014 1
426 . 1 . 1 52 52 LYS HD2 H 1 1.6750 0.0000 . 2 . . 8276 . A 52 LYS HD2 . 31014 1
427 . 1 . 1 52 52 LYS HE2 H 1 2.9566 0.0000 . 2 . . . . A 52 LYS HE2 . 31014 1
428 . 1 . 1 52 52 LYS CA C 13 56.0518 0.0000 . 1 . . 10266 . A 52 LYS CA . 31014 1
429 . 1 . 1 52 52 LYS CB C 13 33.1903 0.0000 . 1 . . 10270 . A 52 LYS CB . 31014 1
430 . 1 . 1 52 52 LYS CG C 13 24.6130 0.0000 . 1 . . 8708 . A 52 LYS CG . 31014 1
431 . 1 . 1 52 52 LYS CD C 13 29.1080 0.0000 . 1 . . 8705 . A 52 LYS CD . 31014 1
432 . 1 . 1 52 52 LYS CE C 13 42.1200 0.0000 . 1 . . 8699 . A 52 LYS CE . 31014 1
433 . 1 . 1 52 52 LYS N N 15 123.8983 0.0000 . 1 . . 2896 . A 52 LYS N . 31014 1
434 . 1 . 1 53 53 ARG H H 1 8.4009 0.0000 . 1 . . 6360 . A 53 ARG H . 31014 1
435 . 1 . 1 53 53 ARG HA H 1 4.2650 0.0000 . 1 . . 8312 . A 53 ARG HA . 31014 1
436 . 1 . 1 53 53 ARG HB2 H 1 1.7890 0.0000 . 2 . . 8333 . A 53 ARG HB2 . 31014 1
437 . 1 . 1 53 53 ARG HG2 H 1 1.6760 0.0000 . 2 . . . . A 53 ARG HG2 . 31014 1
438 . 1 . 1 53 53 ARG HG3 H 1 1.6760 0.0000 . 2 . . 8333 . A 53 ARG HG3 . 31014 1
439 . 1 . 1 53 53 ARG HD2 H 1 3.2160 0.0000 . 2 . . 8318 . A 53 ARG HD2 . 31014 1
440 . 1 . 1 53 53 ARG CA C 13 56.6601 0.0000 . 1 . . 10284 . A 53 ARG CA . 31014 1
441 . 1 . 1 53 53 ARG CB C 13 31.2198 0.0000 . 1 . . 10288 . A 53 ARG CB . 31014 1
442 . 1 . 1 53 53 ARG CG C 13 27.1730 0.0000 . 1 . . 8765 . A 53 ARG CG . 31014 1
443 . 1 . 1 53 53 ARG CD C 13 43.3110 0.0000 . 1 . . 8747 . A 53 ARG CD . 31014 1
444 . 1 . 1 53 53 ARG N N 15 123.4315 0.0000 . 1 . . 6362 . A 53 ARG N . 31014 1
445 . 1 . 1 54 54 GLU H H 1 8.7070 0.0000 . 1 . . 2208 . A 54 GLU H . 31014 1
446 . 1 . 1 54 54 GLU HA H 1 4.2610 0.0000 . 1 . . 8423 . A 54 GLU HA . 31014 1
447 . 1 . 1 54 54 GLU HG2 H 1 2.2800 0.0000 . 2 . . 8438 . A 54 GLU HG2 . 31014 1
448 . 1 . 1 54 54 GLU CA C 13 57.1212 0.0000 . 1 . . 10300 . A 54 GLU CA . 31014 1
449 . 1 . 1 54 54 GLU CB C 13 30.0298 0.0000 . 1 . . 10304 . A 54 GLU CB . 31014 1
450 . 1 . 1 54 54 GLU CG C 13 36.3010 0.0000 . 1 . . 8885 . A 54 GLU CG . 31014 1
451 . 1 . 1 54 54 GLU N N 15 122.0707 0.0000 . 1 . . 2210 . A 54 GLU N . 31014 1
452 . 1 . 1 55 55 ASP H H 1 8.2924 0.0000 . 1 . . 2319 . A 55 ASP H . 31014 1
453 . 1 . 1 55 55 ASP HA H 1 4.6260 0.0000 . 1 . . . . A 55 ASP HA . 31014 1
454 . 1 . 1 55 55 ASP HB2 H 1 2.6650 0.0000 . 2 . . . . A 55 ASP HB2 . 31014 1
455 . 1 . 1 55 55 ASP CA C 13 54.6124 0.0000 . 1 . . 10292 . A 55 ASP CA . 31014 1
456 . 1 . 1 55 55 ASP CB C 13 41.3427 0.0000 . 1 . . 10296 . A 55 ASP CB . 31014 1
457 . 1 . 1 55 55 ASP N N 15 120.2583 0.0000 . 1 . . 2321 . A 55 ASP N . 31014 1
458 . 1 . 1 56 56 ASP H H 1 8.1159 0.0000 . 1 . . 3406 . A 56 ASP H . 31014 1
459 . 1 . 1 56 56 ASP HA H 1 4.3660 0.0000 . 1 . . . . A 56 ASP HA . 31014 1
460 . 1 . 1 56 56 ASP HB2 H 1 1.6850 0.0000 . 2 . . . . A 56 ASP HB2 . 31014 1
461 . 1 . 1 56 56 ASP HB3 H 1 1.5810 0.0000 . 2 . . . . A 56 ASP HB3 . 31014 1
462 . 1 . 1 56 56 ASP CA C 13 55.6360 0.0000 . 1 . . 9990 . A 56 ASP CA . 31014 1
463 . 1 . 1 56 56 ASP CB C 13 42.4074 0.0000 . 1 . . 9986 . A 56 ASP CB . 31014 1
464 . 1 . 1 56 56 ASP N N 15 121.6503 0.0000 . 1 . . 3408 . A 56 ASP N . 31014 1
stop_
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