###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 19941
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 19941 1
2 '3D HNCO' . . . 19941 1
3 '3D HNCA' . . . 19941 1
4 '3D HN(CO)CA' . . . 19941 1
5 '3D CBCA(CO)NH' . . . 19941 1
6 '3D HNCACB' . . . 19941 1
8 '4D HCCH NOESY' . . . 19941 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.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 SER C C 13 179.0270 0.30 . 1 . . . A 369 SER C . 19941 1
2 . 1 1 1 1 SER CA C 13 54.9140 0.30 . 1 . . . A 369 SER CA . 19941 1
3 . 1 1 1 1 SER CB C 13 63.5570 0.30 . 1 . . . A 369 SER CB . 19941 1
4 . 1 1 2 2 ALA H H 1 8.3270 0.02 . 1 . . . A 370 ALA H . 19941 1
5 . 1 1 2 2 ALA HA H 1 4.3810 0.02 . 1 . . . A 370 ALA HA . 19941 1
6 . 1 1 2 2 ALA HB1 H 1 1.4390 0.02 . 1 . . . A 370 ALA HB1 . 19941 1
7 . 1 1 2 2 ALA HB2 H 1 1.4390 0.02 . 1 . . . A 370 ALA HB2 . 19941 1
8 . 1 1 2 2 ALA HB3 H 1 1.4390 0.02 . 1 . . . A 370 ALA HB3 . 19941 1
9 . 1 1 2 2 ALA C C 13 177.6110 0.30 . 1 . . . A 370 ALA C . 19941 1
10 . 1 1 2 2 ALA CA C 13 57.6810 0.30 . 1 . . . A 370 ALA CA . 19941 1
11 . 1 1 2 2 ALA CB C 13 18.5190 0.30 . 1 . . . A 370 ALA CB . 19941 1
12 . 1 1 2 2 ALA N N 15 118.6710 0.30 . 1 . . . A 370 ALA N . 19941 1
13 . 1 1 3 3 ASP H H 1 8.3120 0.02 . 1 . . . A 371 ASP H . 19941 1
14 . 1 1 3 3 ASP HA H 1 4.5910 0.02 . 1 . . . A 371 ASP HA . 19941 1
15 . 1 1 3 3 ASP HB2 H 1 2.6920 0.02 . 2 . . . A 371 ASP HB2 . 19941 1
16 . 1 1 3 3 ASP C C 13 176.2700 0.30 . 1 . . . A 371 ASP C . 19941 1
17 . 1 1 3 3 ASP CA C 13 54.5590 0.30 . 1 . . . A 371 ASP CA . 19941 1
18 . 1 1 3 3 ASP CB C 13 40.7940 0.30 . 1 . . . A 371 ASP CB . 19941 1
19 . 1 1 3 3 ASP N N 15 117.9370 0.30 . 1 . . . A 371 ASP N . 19941 1
20 . 1 1 4 4 ASP H H 1 8.1620 0.02 . 1 . . . A 372 ASP H . 19941 1
21 . 1 1 4 4 ASP HA H 1 4.5920 0.02 . 1 . . . A 372 ASP HA . 19941 1
22 . 1 1 4 4 ASP HB2 H 1 2.6440 0.02 . 2 . . . A 372 ASP HB2 . 19941 1
23 . 1 1 4 4 ASP C C 13 174.0150 0.30 . 1 . . . A 372 ASP C . 19941 1
24 . 1 1 4 4 ASP CA C 13 54.3940 0.30 . 1 . . . A 372 ASP CA . 19941 1
25 . 1 1 4 4 ASP CB C 13 45.1430 0.30 . 1 . . . A 372 ASP CB . 19941 1
26 . 1 1 4 4 ASP N N 15 120.2650 0.30 . 1 . . . A 372 ASP N . 19941 1
27 . 1 1 5 5 ASP H H 1 8.0240 0.02 . 1 . . . A 373 ASP H . 19941 1
28 . 1 1 5 5 ASP HA H 1 4.5580 0.02 . 1 . . . A 373 ASP HA . 19941 1
29 . 1 1 5 5 ASP HB2 H 1 2.6310 0.02 . 1 . . . A 373 ASP HB2 . 19941 1
30 . 1 1 5 5 ASP HB3 H 1 2.6310 0.02 . 1 . . . A 373 ASP HB3 . 19941 1
31 . 1 1 5 5 ASP C C 13 176.1970 0.30 . 1 . . . A 373 ASP C . 19941 1
32 . 1 1 5 5 ASP CA C 13 54.5440 0.30 . 1 . . . A 373 ASP CA . 19941 1
33 . 1 1 5 5 ASP CB C 13 40.7910 0.30 . 1 . . . A 373 ASP CB . 19941 1
34 . 1 1 5 5 ASP N N 15 119.3940 0.30 . 1 . . . A 373 ASP N . 19941 1
35 . 1 1 6 6 ASN H H 1 8.2720 0.02 . 1 . . . A 374 ASN H . 19941 1
36 . 1 1 6 6 ASN HA H 1 4.6950 0.02 . 1 . . . A 374 ASN HA . 19941 1
37 . 1 1 6 6 ASN HB2 H 1 2.8160 0.02 . 2 . . . A 374 ASN HB2 . 19941 1
38 . 1 1 6 6 ASN C C 13 175.4280 0.30 . 1 . . . A 374 ASN C . 19941 1
39 . 1 1 6 6 ASN CA C 13 53.2590 0.30 . 1 . . . A 374 ASN CA . 19941 1
40 . 1 1 6 6 ASN CB C 13 38.6150 0.30 . 1 . . . A 374 ASN CB . 19941 1
41 . 1 1 6 6 ASN N N 15 118.5310 0.30 . 1 . . . A 374 ASN N . 19941 1
42 . 1 1 7 7 PHE H H 1 8.5050 0.02 . 1 . . . A 375 PHE H . 19941 1
43 . 1 1 7 7 PHE HA H 1 4.5910 0.02 . 1 . . . A 375 PHE HA . 19941 1
44 . 1 1 7 7 PHE HB2 H 1 3.1930 0.02 . 2 . . . A 375 PHE HB2 . 19941 1
45 . 1 1 7 7 PHE HD2 H 1 7.1202 0.02 . 2 . . . A 375 PHE HD2 . 19941 1
46 . 1 1 7 7 PHE HE2 H 1 6.8506 0.02 . 2 . . . A 375 PHE HE2 . 19941 1
47 . 1 1 7 7 PHE HZ H 1 7.0433 0.02 . 1 . . . A 375 PHE HZ . 19941 1
48 . 1 1 7 7 PHE C C 13 175.3100 0.30 . 1 . . . A 375 PHE C . 19941 1
49 . 1 1 7 7 PHE CA C 13 58.0590 0.30 . 1 . . . A 375 PHE CA . 19941 1
50 . 1 1 7 7 PHE CB C 13 38.9980 0.30 . 1 . . . A 375 PHE CB . 19941 1
51 . 1 1 7 7 PHE CD2 C 13 133.1952 0.30 . 1 . . . A 375 PHE CD2 . 19941 1
52 . 1 1 7 7 PHE CE2 C 13 134.7044 0.30 . 1 . . . A 375 PHE CE2 . 19941 1
53 . 1 1 7 7 PHE N N 15 119.7640 0.30 . 1 . . . A 375 PHE N . 19941 1
54 . 1 1 8 8 LEU H H 1 8.0660 0.02 . 1 . . . A 376 LEU H . 19941 1
55 . 1 1 8 8 LEU HA H 1 4.0740 0.02 . 1 . . . A 376 LEU HA . 19941 1
56 . 1 1 8 8 LEU HB2 H 1 1.5750 0.02 . 2 . . . A 376 LEU HB2 . 19941 1
57 . 1 1 8 8 LEU HG H 1 1.9955 0.02 . 1 . . . A 376 LEU HG . 19941 1
58 . 1 1 8 8 LEU CA C 13 57.1280 0.30 . 1 . . . A 376 LEU CA . 19941 1
59 . 1 1 8 8 LEU N N 15 120.2730 0.30 . 1 . . . A 376 LEU N . 19941 1
60 . 1 1 10 10 PRO HA H 1 3.7540 0.02 . 1 . . . A 378 PRO HA . 19941 1
61 . 1 1 10 10 PRO HB2 H 1 2.0020 0.02 . 2 . . . A 378 PRO HB2 . 19941 1
62 . 1 1 10 10 PRO HG2 H 1 1.8607 0.02 . 2 . . . A 378 PRO HG2 . 19941 1
63 . 1 1 10 10 PRO HG3 H 1 1.2680 0.02 . 2 . . . A 378 PRO HG3 . 19941 1
64 . 1 1 10 10 PRO HD2 H 1 4.0320 0.02 . 2 . . . A 378 PRO HD2 . 19941 1
65 . 1 1 10 10 PRO CA C 13 64.7520 0.30 . 1 . . . A 378 PRO CA . 19941 1
66 . 1 1 10 10 PRO CB C 13 37.2190 0.30 . 1 . . . A 378 PRO CB . 19941 1
67 . 1 1 10 10 PRO CG C 13 29.7490 0.30 . 1 . . . A 378 PRO CG . 19941 1
68 . 1 1 10 10 PRO CD C 13 46.8388 0.30 . 1 . . . A 378 PRO CD . 19941 1
69 . 1 1 11 11 ILE H H 1 8.4780 0.02 . 1 . . . A 379 ILE H . 19941 1
70 . 1 1 11 11 ILE HA H 1 3.9450 0.02 . 1 . . . A 379 ILE HA . 19941 1
71 . 1 1 11 11 ILE HB H 1 1.8190 0.02 . 1 . . . A 379 ILE HB . 19941 1
72 . 1 1 11 11 ILE HG12 H 1 2.4438 0.02 . 2 . . . A 379 ILE HG12 . 19941 1
73 . 1 1 11 11 ILE HD11 H 1 0.7730 0.02 . 2 . . . A 379 ILE HD11 . 19941 1
74 . 1 1 11 11 ILE HD12 H 1 0.7730 0.02 . 2 . . . A 379 ILE HD12 . 19941 1
75 . 1 1 11 11 ILE HD13 H 1 0.7730 0.02 . 2 . . . A 379 ILE HD13 . 19941 1
76 . 1 1 11 11 ILE C C 13 175.3480 0.30 . 1 . . . A 379 ILE C . 19941 1
77 . 1 1 11 11 ILE CA C 13 55.2860 0.30 . 1 . . . A 379 ILE CA . 19941 1
78 . 1 1 11 11 ILE CB C 13 38.7430 0.30 . 1 . . . A 379 ILE CB . 19941 1
79 . 1 1 11 11 ILE CG2 C 13 19.8686 0.30 . 1 . . . A 379 ILE CG2 . 19941 1
80 . 1 1 11 11 ILE CD1 C 13 14.7819 0.30 . 1 . . . A 379 ILE CD1 . 19941 1
81 . 1 1 11 11 ILE N N 15 122.0030 0.30 . 1 . . . A 379 ILE N . 19941 1
82 . 1 1 12 12 ALA H H 1 8.4730 0.02 . 1 . . . A 380 ALA H . 19941 1
83 . 1 1 12 12 ALA HA H 1 3.9090 0.02 . 1 . . . A 380 ALA HA . 19941 1
84 . 1 1 12 12 ALA HB1 H 1 1.2495 0.02 . 1 . . . A 380 ALA HB1 . 19941 1
85 . 1 1 12 12 ALA HB2 H 1 1.2495 0.02 . 1 . . . A 380 ALA HB2 . 19941 1
86 . 1 1 12 12 ALA HB3 H 1 1.2495 0.02 . 1 . . . A 380 ALA HB3 . 19941 1
87 . 1 1 12 12 ALA CA C 13 57.8800 0.30 . 1 . . . A 380 ALA CA . 19941 1
88 . 1 1 12 12 ALA CB C 13 17.3598 0.30 . 1 . . . A 380 ALA CB . 19941 1
89 . 1 1 12 12 ALA N N 15 119.8730 0.30 . 1 . . . A 380 ALA N . 19941 1
90 . 1 1 13 13 VAL HA H 1 3.5610 0.02 . 1 . . . A 381 VAL HA . 19941 1
91 . 1 1 13 13 VAL HB H 1 2.0020 0.02 . 1 . . . A 381 VAL HB . 19941 1
92 . 1 1 13 13 VAL HG11 H 1 1.0940 0.02 . 2 . . . A 381 VAL HG11 . 19941 1
93 . 1 1 13 13 VAL HG12 H 1 1.0940 0.02 . 2 . . . A 381 VAL HG12 . 19941 1
94 . 1 1 13 13 VAL HG13 H 1 1.0940 0.02 . 2 . . . A 381 VAL HG13 . 19941 1
95 . 1 1 13 13 VAL HG21 H 1 0.9690 0.02 . 2 . . . A 381 VAL HG21 . 19941 1
96 . 1 1 13 13 VAL HG22 H 1 0.9690 0.02 . 2 . . . A 381 VAL HG22 . 19941 1
97 . 1 1 13 13 VAL HG23 H 1 0.9690 0.02 . 2 . . . A 381 VAL HG23 . 19941 1
98 . 1 1 13 13 VAL C C 13 177.6920 0.30 . 1 . . . A 381 VAL C . 19941 1
99 . 1 1 13 13 VAL CA C 13 66.5210 0.30 . 1 . . . A 381 VAL CA . 19941 1
100 . 1 1 13 13 VAL CB C 13 28.4960 0.30 . 1 . . . A 381 VAL CB . 19941 1
101 . 1 1 13 13 VAL CG1 C 13 23.4013 0.30 . 1 . . . A 381 VAL CG1 . 19941 1
102 . 1 1 13 13 VAL CG2 C 13 21.8093 0.30 . 1 . . . A 381 VAL CG2 . 19941 1
103 . 1 1 14 14 GLY H H 1 8.5010 0.02 . 1 . . . A 382 GLY H . 19941 1
104 . 1 1 14 14 GLY HA2 H 1 3.6300 0.02 . 2 . . . A 382 GLY HA2 . 19941 1
105 . 1 1 14 14 GLY C C 13 174.2600 0.30 . 1 . . . A 382 GLY C . 19941 1
106 . 1 1 14 14 GLY CA C 13 47.5090 0.30 . 1 . . . A 382 GLY CA . 19941 1
107 . 1 1 14 14 GLY N N 15 106.1630 0.30 . 1 . . . A 382 GLY N . 19941 1
108 . 1 1 15 15 ALA H H 1 8.7840 0.02 . 1 . . . A 383 ALA H . 19941 1
109 . 1 1 15 15 ALA HA H 1 3.9460 0.02 . 1 . . . A 383 ALA HA . 19941 1
110 . 1 1 15 15 ALA HB1 H 1 1.3110 0.02 . 1 . . . A 383 ALA HB1 . 19941 1
111 . 1 1 15 15 ALA HB2 H 1 1.3110 0.02 . 1 . . . A 383 ALA HB2 . 19941 1
112 . 1 1 15 15 ALA HB3 H 1 1.3110 0.02 . 1 . . . A 383 ALA HB3 . 19941 1
113 . 1 1 15 15 ALA CA C 13 54.9310 0.30 . 1 . . . A 383 ALA CA . 19941 1
114 . 1 1 15 15 ALA N N 15 122.4040 0.30 . 1 . . . A 383 ALA N . 19941 1
115 . 1 1 16 16 ALA H H 1 8.1710 0.02 . 1 . . . A 384 ALA H . 19941 1
116 . 1 1 16 16 ALA HA H 1 3.9420 0.02 . 1 . . . A 384 ALA HA . 19941 1
117 . 1 1 16 16 ALA HB1 H 1 1.4460 0.02 . 1 . . . A 384 ALA HB1 . 19941 1
118 . 1 1 16 16 ALA HB2 H 1 1.4460 0.02 . 1 . . . A 384 ALA HB2 . 19941 1
119 . 1 1 16 16 ALA HB3 H 1 1.4460 0.02 . 1 . . . A 384 ALA HB3 . 19941 1
120 . 1 1 16 16 ALA C C 13 178.9120 0.30 . 1 . . . A 384 ALA C . 19941 1
121 . 1 1 16 16 ALA CA C 13 55.0770 0.30 . 1 . . . A 384 ALA CA . 19941 1
122 . 1 1 16 16 ALA CB C 13 18.0820 0.30 . 1 . . . A 384 ALA CB . 19941 1
123 . 1 1 16 16 ALA N N 15 119.0370 0.30 . 1 . . . A 384 ALA N . 19941 1
124 . 1 1 17 17 LEU H H 1 8.3430 0.02 . 1 . . . A 385 LEU H . 19941 1
125 . 1 1 17 17 LEU HA H 1 3.9930 0.02 . 1 . . . A 385 LEU HA . 19941 1
126 . 1 1 17 17 LEU HB2 H 1 1.8310 0.02 . 2 . . . A 385 LEU HB2 . 19941 1
127 . 1 1 17 17 LEU HB3 H 1 1.5040 0.02 . 2 . . . A 385 LEU HB3 . 19941 1
128 . 1 1 17 17 LEU HG H 1 1.0823 0.02 . 2 . . . A 385 LEU HG . 19941 1
129 . 1 1 17 17 LEU HD11 H 1 0.8800 0.02 . 2 . . . A 385 LEU HD11 . 19941 1
130 . 1 1 17 17 LEU HD12 H 1 0.8800 0.02 . 2 . . . A 385 LEU HD12 . 19941 1
131 . 1 1 17 17 LEU HD13 H 1 0.8800 0.02 . 2 . . . A 385 LEU HD13 . 19941 1
132 . 1 1 17 17 LEU HD21 H 1 0.8600 0.02 . 2 . . . A 385 LEU HD21 . 19941 1
133 . 1 1 17 17 LEU HD22 H 1 0.8600 0.02 . 2 . . . A 385 LEU HD22 . 19941 1
134 . 1 1 17 17 LEU HD23 H 1 0.8600 0.02 . 2 . . . A 385 LEU HD23 . 19941 1
135 . 1 1 17 17 LEU C C 13 178.2590 0.30 . 1 . . . A 385 LEU C . 19941 1
136 . 1 1 17 17 LEU CA C 13 57.6910 0.30 . 1 . . . A 385 LEU CA . 19941 1
137 . 1 1 17 17 LEU CB C 13 41.2280 0.30 . 1 . . . A 385 LEU CB . 19941 1
138 . 1 1 17 17 LEU CG C 13 24.7896 0.30 . 1 . . . A 385 LEU CG . 19941 1
139 . 1 1 17 17 LEU CD1 C 13 23.9533 0.30 . 1 . . . A 385 LEU CD1 . 19941 1
140 . 1 1 17 17 LEU CD2 C 13 23.3320 0.30 . 1 . . . A 385 LEU CD2 . 19941 1
141 . 1 1 17 17 LEU N N 15 116.4920 0.30 . 1 . . . A 385 LEU N . 19941 1
142 . 1 1 18 18 ALA H H 1 8.4610 0.02 . 1 . . . A 386 ALA H . 19941 1
143 . 1 1 18 18 ALA HA H 1 3.8810 0.02 . 1 . . . A 386 ALA HA . 19941 1
144 . 1 1 18 18 ALA HB1 H 1 1.3910 0.02 . 1 . . . A 386 ALA HB1 . 19941 1
145 . 1 1 18 18 ALA HB2 H 1 1.3910 0.02 . 1 . . . A 386 ALA HB2 . 19941 1
146 . 1 1 18 18 ALA HB3 H 1 1.3910 0.02 . 1 . . . A 386 ALA HB3 . 19941 1
147 . 1 1 18 18 ALA C C 13 179.0270 0.30 . 1 . . . A 386 ALA C . 19941 1
148 . 1 1 18 18 ALA CA C 13 55.1220 0.30 . 1 . . . A 386 ALA CA . 19941 1
149 . 1 1 18 18 ALA CB C 13 18.6670 0.30 . 1 . . . A 386 ALA CB . 19941 1
150 . 1 1 18 18 ALA N N 15 119.9690 0.30 . 1 . . . A 386 ALA N . 19941 1
151 . 1 1 19 19 GLY H H 1 8.5710 0.30 . 1 . . . A 387 GLY H . 19941 1
152 . 1 1 19 19 GLY HA2 H 1 3.5660 0.02 . 2 . . . A 387 GLY HA2 . 19941 1
153 . 1 1 19 19 GLY C C 13 174.5000 0.30 . 1 . . . A 387 GLY C . 19941 1
154 . 1 1 19 19 GLY CA C 13 47.1650 0.30 . 1 . . . A 387 GLY CA . 19941 1
155 . 1 1 19 19 GLY N N 15 104.0180 0.30 . 1 . . . A 387 GLY N . 19941 1
156 . 1 1 20 20 VAL H H 1 8.3250 0.02 . 1 . . . A 388 VAL H . 19941 1
157 . 1 1 20 20 VAL HA H 1 3.5540 0.02 . 1 . . . A 388 VAL HA . 19941 1
158 . 1 1 20 20 VAL HB H 1 2.1230 0.02 . 1 . . . A 388 VAL HB . 19941 1
159 . 1 1 20 20 VAL HG11 H 1 1.0650 0.02 . 2 . . . A 388 VAL HG11 . 19941 1
160 . 1 1 20 20 VAL HG12 H 1 1.0650 0.02 . 2 . . . A 388 VAL HG12 . 19941 1
161 . 1 1 20 20 VAL HG13 H 1 1.0650 0.02 . 2 . . . A 388 VAL HG13 . 19941 1
162 . 1 1 20 20 VAL HG21 H 1 0.9507 0.02 . 2 . . . A 388 VAL HG21 . 19941 1
163 . 1 1 20 20 VAL HG22 H 1 0.9507 0.02 . 2 . . . A 388 VAL HG22 . 19941 1
164 . 1 1 20 20 VAL HG23 H 1 0.9507 0.02 . 2 . . . A 388 VAL HG23 . 19941 1
165 . 1 1 20 20 VAL C C 13 177.1250 0.30 . 1 . . . A 388 VAL C . 19941 1
166 . 1 1 20 20 VAL CA C 13 66.9450 0.30 . 1 . . . A 388 VAL CA . 19941 1
167 . 1 1 20 20 VAL CB C 13 30.7430 0.30 . 1 . . . A 388 VAL CB . 19941 1
168 . 1 1 20 20 VAL CG1 C 13 21.7657 0.30 . 1 . . . A 388 VAL CG1 . 19941 1
169 . 1 1 20 20 VAL N N 15 120.2950 0.30 . 1 . . . A 388 VAL N . 19941 1
170 . 1 1 21 21 LEU H H 1 8.2470 0.02 . 1 . . . A 389 LEU H . 19941 1
171 . 1 1 21 21 LEU HA H 1 3.9420 0.02 . 1 . . . A 389 LEU HA . 19941 1
172 . 1 1 21 21 LEU HB2 H 1 1.6880 0.02 . 2 . . . A 389 LEU HB2 . 19941 1
173 . 1 1 21 21 LEU HB3 H 1 1.5000 0.02 . 2 . . . A 389 LEU HB3 . 19941 1
174 . 1 1 21 21 LEU HG H 1 1.3640 0.02 . 1 . . . A 389 LEU HG . 19941 1
175 . 1 1 21 21 LEU HD11 H 1 1.0680 0.02 . 2 . . . A 389 LEU HD11 . 19941 1
176 . 1 1 21 21 LEU HD12 H 1 1.0680 0.02 . 2 . . . A 389 LEU HD12 . 19941 1
177 . 1 1 21 21 LEU HD13 H 1 1.0680 0.02 . 2 . . . A 389 LEU HD13 . 19941 1
178 . 1 1 21 21 LEU HD21 H 1 0.8430 0.02 . 2 . . . A 389 LEU HD21 . 19941 1
179 . 1 1 21 21 LEU HD22 H 1 0.8430 0.02 . 2 . . . A 389 LEU HD22 . 19941 1
180 . 1 1 21 21 LEU HD23 H 1 0.8430 0.02 . 2 . . . A 389 LEU HD23 . 19941 1
181 . 1 1 21 21 LEU C C 13 178.4240 0.30 . 1 . . . A 389 LEU C . 19941 1
182 . 1 1 21 21 LEU CA C 13 58.2380 0.30 . 1 . . . A 389 LEU CA . 19941 1
183 . 1 1 21 21 LEU CB C 13 40.9310 0.30 . 1 . . . A 389 LEU CB . 19941 1
184 . 1 1 21 21 LEU CG C 13 25.9383 0.30 . 1 . . . A 389 LEU CG . 19941 1
185 . 1 1 21 21 LEU CD1 C 13 23.1463 0.30 . 1 . . . A 389 LEU CD1 . 19941 1
186 . 1 1 21 21 LEU CD2 C 13 24.4093 0.30 . 1 . . . A 389 LEU CD2 . 19941 1
187 . 1 1 21 21 LEU N N 15 118.8180 0.30 . 1 . . . A 389 LEU N . 19941 1
188 . 1 1 22 22 ILE H H 1 8.3910 0.02 . 1 . . . A 390 ILE H . 19941 1
189 . 1 1 22 22 ILE HA H 1 3.6270 0.02 . 1 . . . A 390 ILE HA . 19941 1
190 . 1 1 22 22 ILE HB H 1 2.2200 0.02 . 1 . . . A 390 ILE HB . 19941 1
191 . 1 1 22 22 ILE HG12 H 1 2.0030 0.02 . 2 . . . A 390 ILE HG12 . 19941 1
192 . 1 1 22 22 ILE HG13 H 1 1.0050 0.02 . 2 . . . A 390 ILE HG13 . 19941 1
193 . 1 1 22 22 ILE HD11 H 1 0.1900 0.02 . 2 . . . A 390 ILE HD11 . 19941 1
194 . 1 1 22 22 ILE HD12 H 1 0.1900 0.02 . 2 . . . A 390 ILE HD12 . 19941 1
195 . 1 1 22 22 ILE HD13 H 1 0.1900 0.02 . 2 . . . A 390 ILE HD13 . 19941 1
196 . 1 1 22 22 ILE C C 13 177.2880 0.30 . 2 . . . A 390 ILE C . 19941 1
197 . 1 1 22 22 ILE CA C 13 65.2910 0.30 . 1 . . . A 390 ILE CA . 19941 1
198 . 1 1 22 22 ILE CB C 13 36.8630 0.30 . 1 . . . A 390 ILE CB . 19941 1
199 . 1 1 22 22 ILE CG1 C 13 30.2310 0.30 . 1 . . . A 390 ILE CG1 . 19941 1
200 . 1 1 22 22 ILE CG2 C 13 14.2333 0.30 . 1 . . . A 390 ILE CG2 . 19941 1
201 . 1 1 22 22 ILE CD1 C 13 13.9653 0.30 . 1 . . . A 390 ILE CD1 . 19941 1
202 . 1 1 22 22 ILE N N 15 117.7230 0.30 . 1 . . . A 390 ILE N . 19941 1
203 . 1 1 23 23 LEU H H 1 8.1250 0.02 . 1 . . . A 391 LEU H . 19941 1
204 . 1 1 23 23 LEU HA H 1 4.0080 0.02 . 1 . . . A 391 LEU HA . 19941 1
205 . 1 1 23 23 LEU HB2 H 1 2.0810 0.02 . 2 . . . A 391 LEU HB2 . 19941 1
206 . 1 1 23 23 LEU HB3 H 1 1.5170 0.02 . 2 . . . A 391 LEU HB3 . 19941 1
207 . 1 1 23 23 LEU HG H 1 1.9405 0.02 . 1 . . . A 391 LEU HG . 19941 1
208 . 1 1 23 23 LEU HD11 H 1 0.8795 0.02 . 2 . . . A 391 LEU HD11 . 19941 1
209 . 1 1 23 23 LEU HD12 H 1 0.8795 0.02 . 2 . . . A 391 LEU HD12 . 19941 1
210 . 1 1 23 23 LEU HD13 H 1 0.8795 0.02 . 2 . . . A 391 LEU HD13 . 19941 1
211 . 1 1 23 23 LEU HD21 H 1 1.9430 0.02 . 2 . . . A 391 LEU HD21 . 19941 1
212 . 1 1 23 23 LEU HD22 H 1 1.9430 0.02 . 2 . . . A 391 LEU HD22 . 19941 1
213 . 1 1 23 23 LEU HD23 H 1 1.9430 0.02 . 2 . . . A 391 LEU HD23 . 19941 1
214 . 1 1 23 23 LEU C C 13 178.6610 0.30 . 1 . . . A 391 LEU C . 19941 1
215 . 1 1 23 23 LEU CA C 13 58.4300 0.30 . 1 . . . A 391 LEU CA . 19941 1
216 . 1 1 23 23 LEU CB C 13 41.6600 0.30 . 1 . . . A 391 LEU CB . 19941 1
217 . 1 1 23 23 LEU CG C 13 26.8908 0.30 . 1 . . . A 391 LEU CG . 19941 1
218 . 1 1 23 23 LEU CD1 C 13 25.3603 0.30 . 1 . . . A 391 LEU CD1 . 19941 1
219 . 1 1 23 23 LEU CD2 C 13 23.5223 0.30 . 1 . . . A 391 LEU CD2 . 19941 1
220 . 1 1 23 23 LEU N N 15 119.3050 0.30 . 1 . . . A 391 LEU N . 19941 1
221 . 1 1 24 24 VAL H H 1 8.5190 0.02 . 1 . . . A 392 VAL H . 19941 1
222 . 1 1 24 24 VAL HA H 1 3.5910 0.02 . 1 . . . A 392 VAL HA . 19941 1
223 . 1 1 24 24 VAL HB H 1 2.3110 0.02 . 1 . . . A 392 VAL HB . 19941 1
224 . 1 1 24 24 VAL HG11 H 1 1.0810 0.02 . 2 . . . A 392 VAL HG11 . 19941 1
225 . 1 1 24 24 VAL HG12 H 1 1.0810 0.02 . 2 . . . A 392 VAL HG12 . 19941 1
226 . 1 1 24 24 VAL HG13 H 1 1.0810 0.02 . 2 . . . A 392 VAL HG13 . 19941 1
227 . 1 1 24 24 VAL HG21 H 1 0.9450 0.02 . 2 . . . A 392 VAL HG21 . 19941 1
228 . 1 1 24 24 VAL HG22 H 1 0.9450 0.02 . 2 . . . A 392 VAL HG22 . 19941 1
229 . 1 1 24 24 VAL HG23 H 1 0.9450 0.02 . 2 . . . A 392 VAL HG23 . 19941 1
230 . 1 1 24 24 VAL C C 13 177.5700 0.30 . 1 . . . A 392 VAL C . 19941 1
231 . 1 1 24 24 VAL CA C 13 66.8310 0.30 . 1 . . . A 392 VAL CA . 19941 1
232 . 1 1 24 24 VAL CB C 13 30.7420 0.30 . 1 . . . A 392 VAL CB . 19941 1
233 . 1 1 24 24 VAL CG1 C 13 23.2063 0.30 . 1 . . . A 392 VAL CG1 . 19941 1
234 . 1 1 24 24 VAL CG2 C 13 21.7863 0.30 . 1 . . . A 392 VAL CG2 . 19941 1
235 . 1 1 24 24 VAL N N 15 118.0530 0.30 . 1 . . . A 392 VAL N . 19941 1
236 . 1 1 25 25 LEU H H 1 8.4100 0.02 . 1 . . . A 393 LEU H . 19941 1
237 . 1 1 25 25 LEU HA H 1 4.1360 0.02 . 1 . . . A 393 LEU HA . 19941 1
238 . 1 1 25 25 LEU HB2 H 1 2.0690 0.02 . 2 . . . A 393 LEU HB2 . 19941 1
239 . 1 1 25 25 LEU HB3 H 1 1.6260 0.02 . 2 . . . A 393 LEU HB3 . 19941 1
240 . 1 1 25 25 LEU HG H 1 1.9870 0.02 . 1 . . . A 393 LEU HG . 19941 1
241 . 1 1 25 25 LEU HD11 H 1 1.0003 0.02 . 2 . . . A 393 LEU HD11 . 19941 1
242 . 1 1 25 25 LEU HD12 H 1 1.0003 0.02 . 2 . . . A 393 LEU HD12 . 19941 1
243 . 1 1 25 25 LEU HD13 H 1 1.0003 0.02 . 2 . . . A 393 LEU HD13 . 19941 1
244 . 1 1 25 25 LEU HD21 H 1 0.9677 0.02 . 2 . . . A 393 LEU HD21 . 19941 1
245 . 1 1 25 25 LEU HD22 H 1 0.9677 0.02 . 2 . . . A 393 LEU HD22 . 19941 1
246 . 1 1 25 25 LEU HD23 H 1 0.9677 0.02 . 2 . . . A 393 LEU HD23 . 19941 1
247 . 1 1 25 25 LEU C C 13 179.2960 0.30 . 1 . . . A 393 LEU C . 19941 1
248 . 1 1 25 25 LEU CA C 13 58.2380 0.30 . 1 . . . A 393 LEU CA . 19941 1
249 . 1 1 25 25 LEU CB C 13 41.6690 0.30 . 1 . . . A 393 LEU CB . 19941 1
250 . 1 1 25 25 LEU CG C 13 26.8793 0.30 . 1 . . . A 393 LEU CG . 19941 1
251 . 1 1 25 25 LEU CD1 C 13 25.1813 0.30 . 1 . . . A 393 LEU CD1 . 19941 1
252 . 1 1 25 25 LEU CD2 C 13 24.5730 0.30 . 1 . . . A 393 LEU CD2 . 19941 1
253 . 1 1 25 25 LEU N N 15 119.5420 0.30 . 1 . . . A 393 LEU N . 19941 1
254 . 1 1 26 26 LEU H H 1 8.8300 0.02 . 1 . . . A 394 LEU H . 19941 1
255 . 1 1 26 26 LEU HA H 1 4.1740 0.02 . 1 . . . A 394 LEU HA . 19941 1
256 . 1 1 26 26 LEU HB2 H 1 2.0620 0.02 . 2 . . . A 394 LEU HB2 . 19941 1
257 . 1 1 26 26 LEU HB3 H 1 1.6140 0.02 . 2 . . . A 394 LEU HB3 . 19941 1
258 . 1 1 26 26 LEU HG H 1 2.0055 0.02 . 1 . . . A 394 LEU HG . 19941 1
259 . 1 1 26 26 LEU HD11 H 1 0.9525 0.02 . 2 . . . A 394 LEU HD11 . 19941 1
260 . 1 1 26 26 LEU HD12 H 1 0.9525 0.02 . 2 . . . A 394 LEU HD12 . 19941 1
261 . 1 1 26 26 LEU HD13 H 1 0.9525 0.02 . 2 . . . A 394 LEU HD13 . 19941 1
262 . 1 1 26 26 LEU HD21 H 1 0.9489 0.02 . 2 . . . A 394 LEU HD21 . 19941 1
263 . 1 1 26 26 LEU HD22 H 1 0.9489 0.02 . 2 . . . A 394 LEU HD22 . 19941 1
264 . 1 1 26 26 LEU HD23 H 1 0.9489 0.02 . 2 . . . A 394 LEU HD23 . 19941 1
265 . 1 1 26 26 LEU C C 13 178.8230 0.30 . 1 . . . A 394 LEU C . 19941 1
266 . 1 1 26 26 LEU CA C 13 58.2380 0.30 . 1 . . . A 394 LEU CA . 19941 1
267 . 1 1 26 26 LEU CB C 13 41.6640 0.30 . 1 . . . A 394 LEU CB . 19941 1
268 . 1 1 26 26 LEU CG C 13 27.1016 0.30 . 1 . . . A 394 LEU CG . 19941 1
269 . 1 1 26 26 LEU CD1 C 13 25.6484 0.30 . 1 . . . A 394 LEU CD1 . 19941 1
270 . 1 1 26 26 LEU CD2 C 13 24.1532 0.30 . 1 . . . A 394 LEU CD2 . 19941 1
271 . 1 1 26 26 LEU N N 15 118.9530 0.30 . 1 . . . A 394 LEU N . 19941 1
272 . 1 1 27 27 ALA H H 1 8.7700 0.02 . 1 . . . A 395 ALA H . 19941 1
273 . 1 1 27 27 ALA HA H 1 3.9670 0.02 . 1 . . . A 395 ALA HA . 19941 1
274 . 1 1 27 27 ALA HB1 H 1 1.5630 0.02 . 1 . . . A 395 ALA HB1 . 19941 1
275 . 1 1 27 27 ALA HB2 H 1 1.5630 0.02 . 1 . . . A 395 ALA HB2 . 19941 1
276 . 1 1 27 27 ALA HB3 H 1 1.5630 0.02 . 1 . . . A 395 ALA HB3 . 19941 1
277 . 1 1 27 27 ALA C C 13 179.0650 0.30 . 1 . . . A 395 ALA C . 19941 1
278 . 1 1 27 27 ALA CA C 13 55.4710 0.30 . 1 . . . A 395 ALA CA . 19941 1
279 . 1 1 27 27 ALA CB C 13 18.0780 0.30 . 1 . . . A 395 ALA CB . 19941 1
280 . 1 1 27 27 ALA N N 15 121.3280 0.30 . 1 . . . A 395 ALA N . 19941 1
281 . 1 1 28 28 TYR H H 1 8.6110 0.02 . 1 . . . A 396 TYR H . 19941 1
282 . 1 1 28 28 TYR HA H 1 4.1310 0.02 . 1 . . . A 396 TYR HA . 19941 1
283 . 1 1 28 28 TYR HB2 H 1 3.1890 0.02 . 2 . . . A 396 TYR HB2 . 19941 1
284 . 1 1 28 28 TYR HB3 H 1 3.0710 0.02 . 2 . . . A 396 TYR HB3 . 19941 1
285 . 1 1 28 28 TYR HD1 H 1 6.5523 0.02 . 2 . . . A 396 TYR HD1 . 19941 1
286 . 1 1 28 28 TYR HE1 H 1 6.6050 0.02 . 2 . . . A 396 TYR HE1 . 19941 1
287 . 1 1 28 28 TYR C C 13 177.0410 0.30 . 1 . . . A 396 TYR C . 19941 1
288 . 1 1 28 28 TYR CA C 13 61.5580 0.30 . 1 . . . A 396 TYR CA . 19941 1
289 . 1 1 28 28 TYR CB C 13 38.4050 0.30 . 1 . . . A 396 TYR CB . 19941 1
290 . 1 1 28 28 TYR CD1 C 13 132.5969 0.30 . 1 . . . A 396 TYR CD1 . 19941 1
291 . 1 1 28 28 TYR CE1 C 13 117.9112 0.30 . 1 . . . A 396 TYR CE1 . 19941 1
292 . 1 1 28 28 TYR N N 15 117.3350 0.30 . 1 . . . A 396 TYR N . 19941 1
293 . 1 1 29 29 PHE H H 1 8.7020 0.02 . 1 . . . A 397 PHE H . 19941 1
294 . 1 1 29 29 PHE HA H 1 4.1610 0.02 . 1 . . . A 397 PHE HA . 19941 1
295 . 1 1 29 29 PHE HB2 H 1 3.1910 0.02 . 2 . . . A 397 PHE HB2 . 19941 1
296 . 1 1 29 29 PHE HD2 H 1 6.5217 0.02 . 2 . . . A 397 PHE HD2 . 19941 1
297 . 1 1 29 29 PHE HE2 H 1 7.4590 0.02 . 2 . . . A 397 PHE HE2 . 19941 1
298 . 1 1 29 29 PHE HZ H 1 7.5270 0.02 . 1 . . . A 397 PHE HZ . 19941 1
299 . 1 1 29 29 PHE C C 13 177.4870 0.30 . 1 . . . A 397 PHE C . 19941 1
300 . 1 1 29 29 PHE CA C 13 61.7490 0.30 . 1 . . . A 397 PHE CA . 19941 1
301 . 1 1 29 29 PHE CB C 13 39.4210 0.30 . 1 . . . A 397 PHE CB . 19941 1
302 . 1 1 29 29 PHE CD2 C 13 132.6376 0.30 . 1 . . . A 397 PHE CD2 . 19941 1
303 . 1 1 29 29 PHE CE2 C 13 131.9606 0.30 . 1 . . . A 397 PHE CE2 . 19941 1
304 . 1 1 29 29 PHE CZ C 13 128.5697 0.30 . 1 . . . A 397 PHE CZ . 19941 1
305 . 1 1 29 29 PHE N N 15 116.1580 0.30 . 1 . . . A 397 PHE N . 19941 1
306 . 1 1 30 30 ILE H H 1 8.6880 0.02 . 1 . . . A 398 ILE H . 19941 1
307 . 1 1 30 30 ILE HA H 1 4.0330 0.02 . 1 . . . A 398 ILE HA . 19941 1
308 . 1 1 30 30 ILE HB H 1 2.1070 0.02 . 1 . . . A 398 ILE HB . 19941 1
309 . 1 1 30 30 ILE HG12 H 1 1.9002 0.02 . 2 . . . A 398 ILE HG12 . 19941 1
310 . 1 1 30 30 ILE HG21 H 1 0.9035 0.02 . 2 . . . A 398 ILE HG21 . 19941 1
311 . 1 1 30 30 ILE HG22 H 1 0.9035 0.02 . 2 . . . A 398 ILE HG22 . 19941 1
312 . 1 1 30 30 ILE HG23 H 1 0.9035 0.02 . 2 . . . A 398 ILE HG23 . 19941 1
313 . 1 1 30 30 ILE HD11 H 1 1.0803 0.02 . 2 . . . A 398 ILE HD11 . 19941 1
314 . 1 1 30 30 ILE HD12 H 1 1.0803 0.02 . 2 . . . A 398 ILE HD12 . 19941 1
315 . 1 1 30 30 ILE HD13 H 1 1.0803 0.02 . 2 . . . A 398 ILE HD13 . 19941 1
316 . 1 1 30 30 ILE C C 13 177.4910 0.02 . 1 . . . A 398 ILE C . 19941 1
317 . 1 1 30 30 ILE CA C 13 63.0460 0.30 . 1 . . . A 398 ILE CA . 19941 1
318 . 1 1 30 30 ILE CB C 13 37.3160 0.30 . 1 . . . A 398 ILE CB . 19941 1
319 . 1 1 30 30 ILE CG1 C 13 29.8402 0.30 . 1 . . . A 398 ILE CG1 . 19941 1
320 . 1 1 30 30 ILE CG2 C 13 17.3638 0.30 . 1 . . . A 398 ILE CG2 . 19941 1
321 . 1 1 30 30 ILE CD1 C 13 12.7761 0.30 . 1 . . . A 398 ILE CD1 . 19941 1
322 . 1 1 30 30 ILE N N 15 116.5660 0.30 . 1 . . . A 398 ILE N . 19941 1
323 . 1 1 31 31 GLY H H 1 8.2320 0.02 . 1 . . . A 399 GLY H . 19941 1
324 . 1 1 31 31 GLY HA2 H 1 3.9180 0.02 . 2 . . . A 399 GLY HA2 . 19941 1
325 . 1 1 31 31 GLY CA C 13 46.5870 0.30 . 1 . . . A 399 GLY CA . 19941 1
326 . 1 1 31 31 GLY N N 15 107.7890 0.30 . 1 . . . A 399 GLY N . 19941 1
327 . 1 1 32 32 LEU H H 1 8.0820 0.02 . 1 . . . A 400 LEU H . 19941 1
328 . 1 1 32 32 LEU HA H 1 4.2680 0.02 . 1 . . . A 400 LEU HA . 19941 1
329 . 1 1 32 32 LEU HB2 H 1 1.6190 0.02 . 2 . . . A 400 LEU HB2 . 19941 1
330 . 1 1 32 32 LEU HB3 H 1 1.5720 0.02 . 2 . . . A 400 LEU HB3 . 19941 1
331 . 1 1 32 32 LEU HG H 1 1.4105 0.02 . 1 . . . A 400 LEU HG . 19941 1
332 . 1 1 32 32 LEU HD11 H 1 0.8790 0.02 . 2 . . . A 400 LEU HD11 . 19941 1
333 . 1 1 32 32 LEU HD12 H 1 0.8790 0.02 . 2 . . . A 400 LEU HD12 . 19941 1
334 . 1 1 32 32 LEU HD13 H 1 0.8790 0.02 . 2 . . . A 400 LEU HD13 . 19941 1
335 . 1 1 32 32 LEU HD21 H 1 0.9707 0.02 . 2 . . . A 400 LEU HD21 . 19941 1
336 . 1 1 32 32 LEU HD22 H 1 0.9707 0.02 . 2 . . . A 400 LEU HD22 . 19941 1
337 . 1 1 32 32 LEU HD23 H 1 0.9707 0.02 . 2 . . . A 400 LEU HD23 . 19941 1
338 . 1 1 32 32 LEU CA C 13 55.9970 0.30 . 1 . . . A 400 LEU CA . 19941 1
339 . 1 1 32 32 LEU CB C 13 35.4202 0.30 . 1 . . . A 400 LEU CB . 19941 1
340 . 1 1 32 32 LEU CG C 13 24.3198 0.30 . 1 . . . A 400 LEU CG . 19941 1
341 . 1 1 32 32 LEU CD1 C 13 24.0563 0.30 . 1 . . . A 400 LEU CD1 . 19941 1
342 . 1 1 32 32 LEU CD2 C 13 21.6036 0.30 . 1 . . . A 400 LEU CD2 . 19941 1
343 . 1 1 32 32 LEU N N 15 119.8630 0.30 . 1 . . . A 400 LEU N . 19941 1
344 . 1 1 33 33 LYS H H 1 7.9310 0.02 . 1 . . . A 401 LYS H . 19941 1
345 . 1 1 33 33 LYS HA H 1 4.1360 0.02 . 1 . . . A 401 LYS HA . 19941 1
346 . 1 1 33 33 LYS HB2 H 1 1.6920 0.02 . 2 . . . A 401 LYS HB2 . 19941 1
347 . 1 1 33 33 LYS HG2 H 1 1.2833 0.02 . 2 . . . A 401 LYS HG2 . 19941 1
348 . 1 1 33 33 LYS HD2 H 1 1.6255 0.02 . 2 . . . A 401 LYS HD2 . 19941 1
349 . 1 1 33 33 LYS HE2 H 1 3.2960 0.02 . 2 . . . A 401 LYS HE2 . 19941 1
350 . 1 1 33 33 LYS C C 13 176.8770 0.30 . 1 . . . A 401 LYS C . 19941 1
351 . 1 1 33 33 LYS CA C 13 56.5790 0.30 . 1 . . . A 401 LYS CA . 19941 1
352 . 1 1 33 33 LYS CB C 13 32.0490 0.30 . 1 . . . A 401 LYS CB . 19941 1
353 . 1 1 33 33 LYS CG C 13 24.5370 0.30 . 1 . . . A 401 LYS CG . 19941 1
354 . 1 1 33 33 LYS CD C 13 28.8022 0.30 . 1 . . . A 401 LYS CD . 19941 1
355 . 1 1 33 33 LYS CE C 13 39.7789 0.30 . 1 . . . A 401 LYS CE . 19941 1
356 . 1 1 33 33 LYS N N 15 118.0410 0.30 . 1 . . . A 401 LYS N . 19941 1
357 . 1 1 34 34 HIS H H 1 8.0670 0.02 . 1 . . . A 402 HIS H . 19941 1
358 . 1 1 34 34 HIS HA H 1 4.5230 0.02 . 1 . . . A 402 HIS HA . 19941 1
359 . 1 1 34 34 HIS HB2 H 1 2.5640 0.02 . 2 . . . A 402 HIS HB2 . 19941 1
360 . 1 1 34 34 HIS HD1 H 1 1.4170 0.02 . 2 . . . A 402 HIS HD1 . 19941 1
361 . 1 1 34 34 HIS HE1 H 1 6.9373 0.02 . 2 . . . A 402 HIS HE1 . 19941 1
362 . 1 1 34 34 HIS HE2 H 1 1.5870 0.02 . 2 . . . A 402 HIS HE2 . 19941 1
363 . 1 1 34 34 HIS C C 13 175.1860 0.30 . 1 . . . A 402 HIS C . 19941 1
364 . 1 1 34 34 HIS CA C 13 56.7560 0.30 . 1 . . . A 402 HIS CA . 19941 1
365 . 1 1 34 34 HIS CB C 13 30.1870 0.30 . 1 . . . A 402 HIS CB . 19941 1
366 . 1 1 34 34 HIS CD2 C 13 122.058 0.30 . 1 . . . A 402 HIS CD2 . 19941 1
367 . 1 1 34 34 HIS CE1 C 13 139.917 0.30 . 1 . . . A 402 HIS CE1 . 19941 1
368 . 1 1 34 34 HIS N N 15 117.5400 0.30 . 1 . . . A 402 HIS N . 19941 1
369 . 1 1 35 35 HIS H H 1 8.2080 0.02 . 1 . . . A 403 HIS H . 19941 1
370 . 1 1 35 35 HIS CA C 13 54.5260 0.30 . 1 . . . A 403 HIS CA . 19941 1
371 . 1 1 35 35 HIS N N 15 120.0710 0.30 . 1 . . . A 403 HIS N . 19941 1
372 . 1 1 36 36 HIS HA H 1 4.5630 0.02 . 1 . . . A 404 HIS HA . 19941 1
373 . 1 1 36 36 HIS HB2 H 1 3.1240 0.02 . 2 . . . A 404 HIS HB2 . 19941 1
374 . 1 1 36 36 HIS HD1 H 1 0.6210 0.02 . 2 . . . A 404 HIS HD1 . 19941 1
375 . 1 1 36 36 HIS HE1 H 1 6.9777 0.02 . 2 . . . A 404 HIS HE1 . 19941 1
376 . 1 1 36 36 HIS C C 13 174.9460 0.30 . 1 . . . A 404 HIS C . 19941 1
377 . 1 1 36 36 HIS CA C 13 56.2030 0.30 . 1 . . . A 404 HIS CA . 19941 1
378 . 1 1 36 36 HIS CB C 13 30.3050 0.30 . 1 . . . A 404 HIS CB . 19941 1
379 . 1 1 36 36 HIS CD2 C 13 125.254 0.30 . 1 . . . A 404 HIS CD2 . 19941 1
380 . 1 1 36 36 HIS CE1 C 13 140.7063 0.30 . 1 . . . A 404 HIS CE1 . 19941 1
381 . 1 1 37 37 ALA H H 1 8.2420 0.02 . 1 . . . A 405 ALA H . 19941 1
382 . 1 1 37 37 ALA HA H 1 4.3210 0.02 . 1 . . . A 405 ALA HA . 19941 1
383 . 1 1 37 37 ALA HB1 H 1 1.3760 0.02 . 1 . . . A 405 ALA HB1 . 19941 1
384 . 1 1 37 37 ALA HB2 H 1 1.3760 0.02 . 1 . . . A 405 ALA HB2 . 19941 1
385 . 1 1 37 37 ALA HB3 H 1 1.3760 0.02 . 1 . . . A 405 ALA HB3 . 19941 1
386 . 1 1 37 37 ALA C C 13 177.7290 0.30 . 1 . . . A 405 ALA C . 19941 1
387 . 1 1 37 37 ALA CA C 13 52.5170 0.30 . 1 . . . A 405 ALA CA . 19941 1
388 . 1 1 37 37 ALA CB C 13 18.9390 0.30 . 1 . . . A 405 ALA CB . 19941 1
389 . 1 1 37 37 ALA N N 15 123.8570 0.30 . 1 . . . A 405 ALA N . 19941 1
390 . 1 1 38 38 GLY H H 1 8.3730 0.02 . 1 . . . A 406 GLY H . 19941 1
391 . 1 1 38 38 GLY HA2 H 1 3.9090 0.02 . 2 . . . A 406 GLY HA2 . 19941 1
392 . 1 1 38 38 GLY HA3 H 1 3.7530 0.02 . 2 . . . A 406 GLY HA3 . 19941 1
393 . 1 1 38 38 GLY C C 13 176.3170 0.30 . 1 . . . A 406 GLY C . 19941 1
394 . 1 1 38 38 GLY CA C 13 45.1250 0.30 . 1 . . . A 406 GLY CA . 19941 1
395 . 1 1 38 38 GLY N N 15 107.1530 0.30 . 1 . . . A 406 GLY N . 19941 1
396 . 1 1 39 39 TYR H H 1 8.0050 0.02 . 1 . . . A 407 TYR H . 19941 1
397 . 1 1 39 39 TYR HA H 1 4.5870 0.02 . 1 . . . A 407 TYR HA . 19941 1
398 . 1 1 39 39 TYR HB2 H 1 3.1480 0.02 . 2 . . . A 407 TYR HB2 . 19941 1
399 . 1 1 39 39 TYR HB3 H 1 2.9420 0.02 . 2 . . . A 407 TYR HB3 . 19941 1
400 . 1 1 39 39 TYR HD1 H 1 7.2280 0.02 . 2 . . . A 407 TYR HD1 . 19941 1
401 . 1 1 39 39 TYR C C 13 175.7140 0.30 . 1 . . . A 407 TYR C . 19941 1
402 . 1 1 39 39 TYR CA C 13 57.8750 0.30 . 1 . . . A 407 TYR CA . 19941 1
403 . 1 1 39 39 TYR CB C 13 38.8310 0.30 . 1 . . . A 407 TYR CB . 19941 1
404 . 1 1 39 39 TYR CD1 C 13 136.1826 0.30 . 1 . . . A 407 TYR CD1 . 19941 1
405 . 1 1 39 39 TYR N N 15 119.2950 0.30 . 1 . . . A 407 TYR N . 19941 1
406 . 1 1 40 40 GLU H H 1 8.4290 0.02 . 1 . . . A 408 GLU H . 19941 1
407 . 1 1 40 40 GLU HA H 1 4.2050 0.02 . 1 . . . A 408 GLU HA . 19941 1
408 . 1 1 40 40 GLU HB2 H 1 1.9410 0.02 . 2 . . . A 408 GLU HB2 . 19941 1
409 . 1 1 40 40 GLU HG2 H 1 2.2680 0.02 . 2 . . . A 408 GLU HG2 . 19941 1
410 . 1 1 40 40 GLU C C 13 175.9130 0.30 . 1 . . . A 408 GLU C . 19941 1
411 . 1 1 40 40 GLU CA C 13 56.5820 0.30 . 1 . . . A 408 GLU CA . 19941 1
412 . 1 1 40 40 GLU CB C 13 29.8680 0.30 . 1 . . . A 408 GLU CB . 19941 1
413 . 1 1 40 40 GLU CG C 13 33.9062 0.30 . 1 . . . A 408 GLU CG . 19941 1
414 . 1 1 40 40 GLU N N 15 121.1930 0.30 . 1 . . . A 408 GLU N . 19941 1
415 . 1 1 41 41 GLN H H 1 8.1190 0.02 . 1 . . . A 409 GLN H . 19941 1
416 . 1 1 41 41 GLN HA H 1 4.2660 0.02 . 1 . . . A 409 GLN HA . 19941 1
417 . 1 1 41 41 GLN HB2 H 1 2.0150 0.02 . 2 . . . A 409 GLN HB2 . 19941 1
418 . 1 1 41 41 GLN HB3 H 1 1.8780 0.02 . 2 . . . A 409 GLN HB3 . 19941 1
419 . 1 1 41 41 GLN HG2 H 1 1.4830 0.02 . 2 . . . A 409 GLN HG2 . 19941 1
420 . 1 1 41 41 GLN C C 13 174.5020 0.30 . 1 . . . A 409 GLN C . 19941 1
421 . 1 1 41 41 GLN CA C 13 55.4690 0.30 . 1 . . . A 409 GLN CA . 19941 1
422 . 1 1 41 41 GLN CB C 13 29.4180 0.30 . 1 . . . A 409 GLN CB . 19941 1
423 . 1 1 41 41 GLN CG C 13 36.3517 0.30 . 1 . . . A 409 GLN CG . 19941 1
424 . 1 1 41 41 GLN N N 15 119.9750 0.30 . 1 . . . A 409 GLN N . 19941 1
425 . 1 1 42 42 PHE H H 1 7.7350 0.02 . 1 . . . A 410 PHE H . 19941 1
426 . 1 1 42 42 PHE HA H 1 4.4800 0.02 . 1 . . . A 410 PHE HA . 19941 1
427 . 1 1 42 42 PHE HD2 H 1 7.2890 0.02 . 2 . . . A 410 PHE HD2 . 19941 1
428 . 1 1 42 42 PHE CA C 13 58.7960 0.30 . 1 . . . A 410 PHE CA . 19941 1
429 . 1 1 42 42 PHE CB C 13 40.5198 0.30 . 1 . . . A 410 PHE CB . 19941 1
430 . 1 1 42 42 PHE CD2 C 13 132.1344 0.30 . 1 . . . A 410 PHE CD2 . 19941 1
431 . 1 1 42 42 PHE N N 15 125.6700 0.30 . 1 . . . A 410 PHE N . 19941 1
stop_
save_