###################################
# 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 17488
_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 '3D HNCO' . . . 17488 1
2 '3D HNCA' . . . 17488 1
3 '3D HN(CO)CA' . . . 17488 1
4 '3D 1H-15N NOESY' . . . 17488 1
5 '3D 1H-13C NOESY' . . . 17488 1
6 '2D 1H-15N HSQC' . . . 17488 1
7 '2D 1H-13C HSQC aliphatic' . . . 17488 1
8 '2D 1H-13C HSQC aromatic' . . . 17488 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 MET HA H 1 4.544 0.020 . 1 . . . A 637 MET HA . 17488 1
2 . 1 1 1 1 MET HB2 H 1 2.159 0.020 . 2 . . . A 637 MET HB2 . 17488 1
3 . 1 1 1 1 MET HB3 H 1 2.099 0.020 . 2 . . . A 637 MET HB3 . 17488 1
4 . 1 1 1 1 MET HG2 H 1 2.667 0.020 . 1 . . . A 637 MET HG2 . 17488 1
5 . 1 1 1 1 MET HG3 H 1 2.667 0.020 . 1 . . . A 637 MET HG3 . 17488 1
6 . 1 1 1 1 MET HE1 H 1 2.138 0.020 . 1 . . . A 637 MET HE1 . 17488 1
7 . 1 1 1 1 MET HE2 H 1 2.138 0.020 . 1 . . . A 637 MET HE2 . 17488 1
8 . 1 1 1 1 MET HE3 H 1 2.138 0.020 . 1 . . . A 637 MET HE3 . 17488 1
9 . 1 1 1 1 MET H H 1 8.678 0.020 . 1 . . . A 637 MET H1 . 17488 1
10 . 1 1 1 1 MET C C 13 176.167 0.400 . 1 . . . A 637 MET C . 17488 1
11 . 1 1 1 1 MET CA C 13 54.597 0.400 . 1 . . . A 637 MET CA . 17488 1
12 . 1 1 1 1 MET CB C 13 33.480 0.400 . 1 . . . A 637 MET CB . 17488 1
13 . 1 1 1 1 MET CG C 13 32.215 0.400 . 1 . . . A 637 MET CG . 17488 1
14 . 1 1 1 1 MET CE C 13 17.461 0.400 . 1 . . . A 637 MET CE . 17488 1
15 . 1 1 1 1 MET N N 15 128.225 0.400 . 1 . . . A 637 MET N . 17488 1
16 . 1 1 2 2 GLY H H 1 8.689 0.020 . 1 . . . A 638 GLY H . 17488 1
17 . 1 1 2 2 GLY HA2 H 1 4.059 0.020 . 1 . . . A 638 GLY HA2 . 17488 1
18 . 1 1 2 2 GLY HA3 H 1 4.059 0.020 . 1 . . . A 638 GLY HA3 . 17488 1
19 . 1 1 2 2 GLY C C 13 174.168 0.400 . 1 . . . A 638 GLY C . 17488 1
20 . 1 1 2 2 GLY CA C 13 45.612 0.400 . 1 . . . A 638 GLY CA . 17488 1
21 . 1 1 2 2 GLY N N 15 109.336 0.400 . 1 . . . A 638 GLY N . 17488 1
22 . 1 1 3 3 ARG H H 1 8.358 0.020 . 1 . . . A 639 ARG H . 17488 1
23 . 1 1 3 3 ARG HA H 1 4.337 0.020 . 1 . . . A 639 ARG HA . 17488 1
24 . 1 1 3 3 ARG HB2 H 1 1.920 0.020 . 2 . . . A 639 ARG HB2 . 17488 1
25 . 1 1 3 3 ARG HB3 H 1 1.977 0.020 . 2 . . . A 639 ARG HB3 . 17488 1
26 . 1 1 3 3 ARG HG2 H 1 1.727 0.020 . 1 . . . A 639 ARG HG2 . 17488 1
27 . 1 1 3 3 ARG HG3 H 1 1.727 0.020 . 1 . . . A 639 ARG HG3 . 17488 1
28 . 1 1 3 3 ARG HD2 H 1 3.278 0.020 . 1 . . . A 639 ARG HD2 . 17488 1
29 . 1 1 3 3 ARG HD3 H 1 3.278 0.020 . 1 . . . A 639 ARG HD3 . 17488 1
30 . 1 1 3 3 ARG HE H 1 7.548 0.020 . 1 . . . A 639 ARG HE . 17488 1
31 . 1 1 3 3 ARG C C 13 177.110 0.400 . 1 . . . A 639 ARG C . 17488 1
32 . 1 1 3 3 ARG CA C 13 57.306 0.400 . 1 . . . A 639 ARG CA . 17488 1
33 . 1 1 3 3 ARG CB C 13 30.539 0.400 . 1 . . . A 639 ARG CB . 17488 1
34 . 1 1 3 3 ARG CG C 13 27.541 0.400 . 1 . . . A 639 ARG CG . 17488 1
35 . 1 1 3 3 ARG CD C 13 43.384 0.400 . 1 . . . A 639 ARG CD . 17488 1
36 . 1 1 3 3 ARG N N 15 120.273 0.400 . 1 . . . A 639 ARG N . 17488 1
37 . 1 1 4 4 THR H H 1 8.181 0.020 . 1 . . . A 640 THR H . 17488 1
38 . 1 1 4 4 THR HA H 1 4.353 0.020 . 1 . . . A 640 THR HA . 17488 1
39 . 1 1 4 4 THR HB H 1 4.347 0.020 . 1 . . . A 640 THR HB . 17488 1
40 . 1 1 4 4 THR HG1 H 1 4.647 0.020 . 1 . . . A 640 THR HG1 . 17488 1
41 . 1 1 4 4 THR HG21 H 1 1.272 0.020 . 1 . . . A 640 THR HG21 . 17488 1
42 . 1 1 4 4 THR HG22 H 1 1.272 0.020 . 1 . . . A 640 THR HG22 . 17488 1
43 . 1 1 4 4 THR HG23 H 1 1.272 0.020 . 1 . . . A 640 THR HG23 . 17488 1
44 . 1 1 4 4 THR C C 13 175.368 0.400 . 1 . . . A 640 THR C . 17488 1
45 . 1 1 4 4 THR CA C 13 63.049 0.400 . 1 . . . A 640 THR CA . 17488 1
46 . 1 1 4 4 THR CB C 13 69.852 0.400 . 1 . . . A 640 THR CB . 17488 1
47 . 1 1 4 4 THR CG2 C 13 21.957 0.400 . 1 . . . A 640 THR CG2 . 17488 1
48 . 1 1 4 4 THR N N 15 113.498 0.400 . 1 . . . A 640 THR N . 17488 1
49 . 1 1 5 5 HIS H H 1 8.799 0.020 . 1 . . . A 641 HIS H . 17488 1
50 . 1 1 5 5 HIS HA H 1 4.774 0.020 . 1 . . . A 641 HIS HA . 17488 1
51 . 1 1 5 5 HIS HB2 H 1 3.324 0.020 . 1 . . . A 641 HIS HB2 . 17488 1
52 . 1 1 5 5 HIS HB3 H 1 3.393 0.020 . 1 . . . A 641 HIS HB3 . 17488 1
53 . 1 1 5 5 HIS HD2 H 1 7.383 0.020 . 1 . . . A 641 HIS HD2 . 17488 1
54 . 1 1 5 5 HIS HE1 H 1 8.799 0.020 . 1 . . . A 641 HIS HE1 . 17488 1
55 . 1 1 5 5 HIS C C 13 175.596 0.400 . 1 . . . A 641 HIS C . 17488 1
56 . 1 1 5 5 HIS CA C 13 56.993 0.400 . 1 . . . A 641 HIS CA . 17488 1
57 . 1 1 5 5 HIS CB C 13 28.820 0.400 . 1 . . . A 641 HIS CB . 17488 1
58 . 1 1 5 5 HIS N N 15 119.164 0.400 . 1 . . . A 641 HIS N . 17488 1
59 . 1 1 6 6 LEU H H 1 8.410 0.020 . 1 . . . A 642 LEU H . 17488 1
60 . 1 1 6 6 LEU HA H 1 4.231 0.020 . 1 . . . A 642 LEU HA . 17488 1
61 . 1 1 6 6 LEU HB2 H 1 1.829 0.020 . 1 . . . A 642 LEU HB2 . 17488 1
62 . 1 1 6 6 LEU HB3 H 1 1.953 0.020 . 1 . . . A 642 LEU HB3 . 17488 1
63 . 1 1 6 6 LEU HG H 1 1.726 0.020 . 1 . . . A 642 LEU HG . 17488 1
64 . 1 1 6 6 LEU HD11 H 1 0.998 0.020 . 2 . . . A 642 LEU HD11 . 17488 1
65 . 1 1 6 6 LEU HD12 H 1 0.998 0.020 . 2 . . . A 642 LEU HD12 . 17488 1
66 . 1 1 6 6 LEU HD13 H 1 0.998 0.020 . 2 . . . A 642 LEU HD13 . 17488 1
67 . 1 1 6 6 LEU HD21 H 1 1.031 0.020 . 2 . . . A 642 LEU HD21 . 17488 1
68 . 1 1 6 6 LEU HD22 H 1 1.031 0.020 . 2 . . . A 642 LEU HD22 . 17488 1
69 . 1 1 6 6 LEU HD23 H 1 1.031 0.020 . 2 . . . A 642 LEU HD23 . 17488 1
70 . 1 1 6 6 LEU C C 13 177.795 0.400 . 1 . . . A 642 LEU C . 17488 1
71 . 1 1 6 6 LEU CA C 13 58.210 0.400 . 1 . . . A 642 LEU CA . 17488 1
72 . 1 1 6 6 LEU CB C 13 42.127 0.400 . 1 . . . A 642 LEU CB . 17488 1
73 . 1 1 6 6 LEU CG C 13 27.388 0.400 . 1 . . . A 642 LEU CG . 17488 1
74 . 1 1 6 6 LEU CD1 C 13 25.039 0.400 . 1 . . . A 642 LEU CD1 . 17488 1
75 . 1 1 6 6 LEU CD2 C 13 24.464 0.400 . 1 . . . A 642 LEU CD2 . 17488 1
76 . 1 1 6 6 LEU N N 15 120.615 0.400 . 1 . . . A 642 LEU N . 17488 1
77 . 1 1 7 7 THR H H 1 8.159 0.020 . 1 . . . A 643 THR H . 17488 1
78 . 1 1 7 7 THR HA H 1 3.970 0.020 . 1 . . . A 643 THR HA . 17488 1
79 . 1 1 7 7 THR HB H 1 4.394 0.020 . 1 . . . A 643 THR HB . 17488 1
80 . 1 1 7 7 THR HG1 H 1 4.636 0.020 . 1 . . . A 643 THR HG1 . 17488 1
81 . 1 1 7 7 THR HG21 H 1 1.321 0.020 . 1 . . . A 643 THR HG21 . 17488 1
82 . 1 1 7 7 THR HG22 H 1 1.321 0.020 . 1 . . . A 643 THR HG22 . 17488 1
83 . 1 1 7 7 THR HG23 H 1 1.321 0.020 . 1 . . . A 643 THR HG23 . 17488 1
84 . 1 1 7 7 THR C C 13 177.509 0.400 . 1 . . . A 643 THR C . 17488 1
85 . 1 1 7 7 THR CA C 13 66.465 0.400 . 1 . . . A 643 THR CA . 17488 1
86 . 1 1 7 7 THR CB C 13 68.477 0.400 . 1 . . . A 643 THR CB . 17488 1
87 . 1 1 7 7 THR CG2 C 13 22.440 0.400 . 1 . . . A 643 THR CG2 . 17488 1
88 . 1 1 7 7 THR N N 15 112.948 0.400 . 1 . . . A 643 THR N . 17488 1
89 . 1 1 8 8 MET H H 1 8.414 0.020 . 1 . . . A 644 MET H . 17488 1
90 . 1 1 8 8 MET HA H 1 4.247 0.020 . 1 . . . A 644 MET HA . 17488 1
91 . 1 1 8 8 MET HB2 H 1 2.331 0.020 . 2 . . . A 644 MET HB2 . 17488 1
92 . 1 1 8 8 MET HB3 H 1 2.163 0.020 . 2 . . . A 644 MET HB3 . 17488 1
93 . 1 1 8 8 MET HG2 H 1 2.750 0.020 . 2 . . . A 644 MET HG2 . 17488 1
94 . 1 1 8 8 MET HG3 H 1 2.590 0.020 . 2 . . . A 644 MET HG3 . 17488 1
95 . 1 1 8 8 MET HE1 H 1 2.138 0.020 . 1 . . . A 644 MET HE1 . 17488 1
96 . 1 1 8 8 MET HE2 H 1 2.138 0.020 . 1 . . . A 644 MET HE2 . 17488 1
97 . 1 1 8 8 MET HE3 H 1 2.138 0.020 . 1 . . . A 644 MET HE3 . 17488 1
98 . 1 1 8 8 MET C C 13 177.167 0.400 . 1 . . . A 644 MET C . 17488 1
99 . 1 1 8 8 MET CA C 13 59.095 0.400 . 1 . . . A 644 MET CA . 17488 1
100 . 1 1 8 8 MET CB C 13 32.629 0.400 . 1 . . . A 644 MET CB . 17488 1
101 . 1 1 8 8 MET CG C 13 32.707 0.400 . 1 . . . A 644 MET CG . 17488 1
102 . 1 1 8 8 MET CE C 13 17.228 0.400 . 1 . . . A 644 MET CE . 17488 1
103 . 1 1 8 8 MET N N 15 122.797 0.400 . 1 . . . A 644 MET N . 17488 1
104 . 1 1 9 9 ALA H H 1 8.326 0.020 . 1 . . . A 645 ALA H . 17488 1
105 . 1 1 9 9 ALA HA H 1 4.021 0.020 . 1 . . . A 645 ALA HA . 17488 1
106 . 1 1 9 9 ALA HB1 H 1 1.549 0.020 . 1 . . . A 645 ALA HB1 . 17488 1
107 . 1 1 9 9 ALA HB2 H 1 1.549 0.020 . 1 . . . A 645 ALA HB2 . 17488 1
108 . 1 1 9 9 ALA HB3 H 1 1.549 0.020 . 1 . . . A 645 ALA HB3 . 17488 1
109 . 1 1 9 9 ALA C C 13 178.794 0.400 . 1 . . . A 645 ALA C . 17488 1
110 . 1 1 9 9 ALA CA C 13 56.109 0.400 . 1 . . . A 645 ALA CA . 17488 1
111 . 1 1 9 9 ALA CB C 13 18.239 0.400 . 1 . . . A 645 ALA CB . 17488 1
112 . 1 1 9 9 ALA N N 15 120.664 0.400 . 1 . . . A 645 ALA N . 17488 1
113 . 1 1 10 10 LEU H H 1 8.347 0.020 . 1 . . . A 646 LEU H . 17488 1
114 . 1 1 10 10 LEU HA H 1 4.038 0.020 . 1 . . . A 646 LEU HA . 17488 1
115 . 1 1 10 10 LEU HB2 H 1 1.961 0.020 . 1 . . . A 646 LEU HB2 . 17488 1
116 . 1 1 10 10 LEU HB3 H 1 1.560 0.020 . 1 . . . A 646 LEU HB3 . 17488 1
117 . 1 1 10 10 LEU HG H 1 1.963 0.020 . 1 . . . A 646 LEU HG . 17488 1
118 . 1 1 10 10 LEU HD11 H 1 0.966 0.020 . 2 . . . A 646 LEU HD11 . 17488 1
119 . 1 1 10 10 LEU HD12 H 1 0.966 0.020 . 2 . . . A 646 LEU HD12 . 17488 1
120 . 1 1 10 10 LEU HD13 H 1 0.966 0.020 . 2 . . . A 646 LEU HD13 . 17488 1
121 . 1 1 10 10 LEU HD21 H 1 0.928 0.020 . 2 . . . A 646 LEU HD21 . 17488 1
122 . 1 1 10 10 LEU HD22 H 1 0.928 0.020 . 2 . . . A 646 LEU HD22 . 17488 1
123 . 1 1 10 10 LEU HD23 H 1 0.928 0.020 . 2 . . . A 646 LEU HD23 . 17488 1
124 . 1 1 10 10 LEU C C 13 177.909 0.400 . 1 . . . A 646 LEU C . 17488 1
125 . 1 1 10 10 LEU CA C 13 58.235 0.400 . 1 . . . A 646 LEU CA . 17488 1
126 . 1 1 10 10 LEU CB C 13 41.969 0.400 . 1 . . . A 646 LEU CB . 17488 1
127 . 1 1 10 10 LEU CG C 13 27.066 0.400 . 1 . . . A 646 LEU CG . 17488 1
128 . 1 1 10 10 LEU CD1 C 13 25.481 0.400 . 1 . . . A 646 LEU CD1 . 17488 1
129 . 1 1 10 10 LEU CD2 C 13 23.454 0.400 . 1 . . . A 646 LEU CD2 . 17488 1
130 . 1 1 10 10 LEU N N 15 115.241 0.400 . 1 . . . A 646 LEU N . 17488 1
131 . 1 1 11 11 THR H H 1 7.936 0.020 . 1 . . . A 647 THR H . 17488 1
132 . 1 1 11 11 THR HA H 1 3.818 0.020 . 1 . . . A 647 THR HA . 17488 1
133 . 1 1 11 11 THR HB H 1 4.445 0.020 . 1 . . . A 647 THR HB . 17488 1
134 . 1 1 11 11 THR HG1 H 1 4.646 0.020 . 1 . . . A 647 THR HG1 . 17488 1
135 . 1 1 11 11 THR HG21 H 1 1.245 0.020 . 1 . . . A 647 THR HG21 . 17488 1
136 . 1 1 11 11 THR HG22 H 1 1.245 0.020 . 1 . . . A 647 THR HG22 . 17488 1
137 . 1 1 11 11 THR HG23 H 1 1.245 0.020 . 1 . . . A 647 THR HG23 . 17488 1
138 . 1 1 11 11 THR C C 13 175.710 0.400 . 1 . . . A 647 THR C . 17488 1
139 . 1 1 11 11 THR CA C 13 68.175 0.400 . 1 . . . A 647 THR CA . 17488 1
140 . 1 1 11 11 THR CB C 13 68.180 0.400 . 1 . . . A 647 THR CB . 17488 1
141 . 1 1 11 11 THR CG2 C 13 21.761 0.400 . 1 . . . A 647 THR CG2 . 17488 1
142 . 1 1 11 11 THR N N 15 115.198 0.400 . 1 . . . A 647 THR N . 17488 1
143 . 1 1 12 12 VAL H H 1 7.945 0.020 . 1 . . . A 648 VAL H . 17488 1
144 . 1 1 12 12 VAL HA H 1 3.623 0.020 . 1 . . . A 648 VAL HA . 17488 1
145 . 1 1 12 12 VAL HB H 1 2.289 0.020 . 1 . . . A 648 VAL HB . 17488 1
146 . 1 1 12 12 VAL HG11 H 1 0.937 0.020 . 2 . . . A 648 VAL HG11 . 17488 1
147 . 1 1 12 12 VAL HG12 H 1 0.937 0.020 . 2 . . . A 648 VAL HG12 . 17488 1
148 . 1 1 12 12 VAL HG13 H 1 0.937 0.020 . 2 . . . A 648 VAL HG13 . 17488 1
149 . 1 1 12 12 VAL HG21 H 1 1.111 0.020 . 2 . . . A 648 VAL HG21 . 17488 1
150 . 1 1 12 12 VAL HG22 H 1 1.111 0.020 . 2 . . . A 648 VAL HG22 . 17488 1
151 . 1 1 12 12 VAL HG23 H 1 1.111 0.020 . 2 . . . A 648 VAL HG23 . 17488 1
152 . 1 1 12 12 VAL C C 13 177.224 0.400 . 1 . . . A 648 VAL C . 17488 1
153 . 1 1 12 12 VAL CA C 13 67.044 0.400 . 1 . . . A 648 VAL CA . 17488 1
154 . 1 1 12 12 VAL CB C 13 31.568 0.400 . 1 . . . A 648 VAL CB . 17488 1
155 . 1 1 12 12 VAL CG1 C 13 21.518 0.400 . 1 . . . A 648 VAL CG1 . 17488 1
156 . 1 1 12 12 VAL CG2 C 13 23.380 0.400 . 1 . . . A 648 VAL CG2 . 17488 1
157 . 1 1 12 12 VAL N N 15 120.083 0.400 . 1 . . . A 648 VAL N . 17488 1
158 . 1 1 13 13 ILE H H 1 8.192 0.020 . 1 . . . A 649 ILE H . 17488 1
159 . 1 1 13 13 ILE HA H 1 3.630 0.020 . 1 . . . A 649 ILE HA . 17488 1
160 . 1 1 13 13 ILE HB H 1 1.976 0.020 . 1 . . . A 649 ILE HB . 17488 1
161 . 1 1 13 13 ILE HG12 H 1 1.106 0.020 . 1 . . . A 649 ILE HG12 . 17488 1
162 . 1 1 13 13 ILE HG13 H 1 1.859 0.020 . 1 . . . A 649 ILE HG13 . 17488 1
163 . 1 1 13 13 ILE HG21 H 1 0.895 0.020 . 1 . . . A 649 ILE HG21 . 17488 1
164 . 1 1 13 13 ILE HG22 H 1 0.895 0.020 . 1 . . . A 649 ILE HG22 . 17488 1
165 . 1 1 13 13 ILE HG23 H 1 0.895 0.020 . 1 . . . A 649 ILE HG23 . 17488 1
166 . 1 1 13 13 ILE HD11 H 1 0.835 0.020 . 1 . . . A 649 ILE HD11 . 17488 1
167 . 1 1 13 13 ILE HD12 H 1 0.835 0.020 . 1 . . . A 649 ILE HD12 . 17488 1
168 . 1 1 13 13 ILE HD13 H 1 0.835 0.020 . 1 . . . A 649 ILE HD13 . 17488 1
169 . 1 1 13 13 ILE C C 13 176.881 0.400 . 1 . . . A 649 ILE C . 17488 1
170 . 1 1 13 13 ILE CA C 13 65.585 0.400 . 1 . . . A 649 ILE CA . 17488 1
171 . 1 1 13 13 ILE CB C 13 37.533 0.400 . 1 . . . A 649 ILE CB . 17488 1
172 . 1 1 13 13 ILE CG1 C 13 29.411 0.400 . 1 . . . A 649 ILE CG1 . 17488 1
173 . 1 1 13 13 ILE CG2 C 13 17.398 0.400 . 1 . . . A 649 ILE CG2 . 17488 1
174 . 1 1 13 13 ILE CD1 C 13 12.820 0.400 . 1 . . . A 649 ILE CD1 . 17488 1
175 . 1 1 13 13 ILE N N 15 118.236 0.400 . 1 . . . A 649 ILE N . 17488 1
176 . 1 1 14 14 ALA H H 1 8.535 0.020 . 1 . . . A 650 ALA H . 17488 1
177 . 1 1 14 14 ALA HA H 1 3.924 0.020 . 1 . . . A 650 ALA HA . 17488 1
178 . 1 1 14 14 ALA HB1 H 1 1.497 0.020 . 1 . . . A 650 ALA HB1 . 17488 1
179 . 1 1 14 14 ALA HB2 H 1 1.497 0.020 . 1 . . . A 650 ALA HB2 . 17488 1
180 . 1 1 14 14 ALA HB3 H 1 1.497 0.020 . 1 . . . A 650 ALA HB3 . 17488 1
181 . 1 1 14 14 ALA C C 13 178.966 0.400 . 1 . . . A 650 ALA C . 17488 1
182 . 1 1 14 14 ALA CA C 13 55.715 0.400 . 1 . . . A 650 ALA CA . 17488 1
183 . 1 1 14 14 ALA CB C 13 18.022 0.400 . 1 . . . A 650 ALA CB . 17488 1
184 . 1 1 14 14 ALA N N 15 120.535 0.400 . 1 . . . A 650 ALA N . 17488 1
185 . 1 1 15 15 GLY H H 1 8.401 0.020 . 1 . . . A 651 GLY H . 17488 1
186 . 1 1 15 15 GLY HA2 H 1 3.623 0.020 . 1 . . . A 651 GLY HA2 . 17488 1
187 . 1 1 15 15 GLY HA3 H 1 3.623 0.020 . 1 . . . A 651 GLY HA3 . 17488 1
188 . 1 1 15 15 GLY C C 13 174.511 0.400 . 1 . . . A 651 GLY C . 17488 1
189 . 1 1 15 15 GLY CA C 13 47.406 0.400 . 1 . . . A 651 GLY CA . 17488 1
190 . 1 1 15 15 GLY N N 15 103.763 0.400 . 1 . . . A 651 GLY N . 17488 1
191 . 1 1 16 16 LEU H H 1 8.398 0.020 . 1 . . . A 652 LEU H . 17488 1
192 . 1 1 16 16 LEU HA H 1 3.981 0.020 . 1 . . . A 652 LEU HA . 17488 1
193 . 1 1 16 16 LEU HB2 H 1 2.034 0.020 . 1 . . . A 652 LEU HB2 . 17488 1
194 . 1 1 16 16 LEU HB3 H 1 1.388 0.020 . 1 . . . A 652 LEU HB3 . 17488 1
195 . 1 1 16 16 LEU HG H 1 1.890 0.020 . 1 . . . A 652 LEU HG . 17488 1
196 . 1 1 16 16 LEU HD11 H 1 0.831 0.020 . 2 . . . A 652 LEU HD11 . 17488 1
197 . 1 1 16 16 LEU HD12 H 1 0.831 0.020 . 2 . . . A 652 LEU HD12 . 17488 1
198 . 1 1 16 16 LEU HD13 H 1 0.831 0.020 . 2 . . . A 652 LEU HD13 . 17488 1
199 . 1 1 16 16 LEU HD21 H 1 0.803 0.020 . 2 . . . A 652 LEU HD21 . 17488 1
200 . 1 1 16 16 LEU HD22 H 1 0.803 0.020 . 2 . . . A 652 LEU HD22 . 17488 1
201 . 1 1 16 16 LEU HD23 H 1 0.803 0.020 . 2 . . . A 652 LEU HD23 . 17488 1
202 . 1 1 16 16 LEU C C 13 178.309 0.400 . 1 . . . A 652 LEU C . 17488 1
203 . 1 1 16 16 LEU CA C 13 58.033 0.400 . 1 . . . A 652 LEU CA . 17488 1
204 . 1 1 16 16 LEU CB C 13 41.902 0.400 . 1 . . . A 652 LEU CB . 17488 1
205 . 1 1 16 16 LEU CG C 13 26.767 0.400 . 1 . . . A 652 LEU CG . 17488 1
206 . 1 1 16 16 LEU CD1 C 13 25.765 0.400 . 1 . . . A 652 LEU CD1 . 17488 1
207 . 1 1 16 16 LEU CD2 C 13 23.440 0.400 . 1 . . . A 652 LEU CD2 . 17488 1
208 . 1 1 16 16 LEU N N 15 120.941 0.400 . 1 . . . A 652 LEU N . 17488 1
209 . 1 1 17 17 VAL H H 1 8.370 0.020 . 1 . . . A 653 VAL H . 17488 1
210 . 1 1 17 17 VAL HA H 1 3.574 0.020 . 1 . . . A 653 VAL HA . 17488 1
211 . 1 1 17 17 VAL HB H 1 2.407 0.020 . 1 . . . A 653 VAL HB . 17488 1
212 . 1 1 17 17 VAL HG11 H 1 0.970 0.020 . 2 . . . A 653 VAL HG11 . 17488 1
213 . 1 1 17 17 VAL HG12 H 1 0.970 0.020 . 2 . . . A 653 VAL HG12 . 17488 1
214 . 1 1 17 17 VAL HG13 H 1 0.970 0.020 . 2 . . . A 653 VAL HG13 . 17488 1
215 . 1 1 17 17 VAL HG21 H 1 1.073 0.020 . 2 . . . A 653 VAL HG21 . 17488 1
216 . 1 1 17 17 VAL HG22 H 1 1.073 0.020 . 2 . . . A 653 VAL HG22 . 17488 1
217 . 1 1 17 17 VAL HG23 H 1 1.073 0.020 . 2 . . . A 653 VAL HG23 . 17488 1
218 . 1 1 17 17 VAL C C 13 177.709 0.400 . 1 . . . A 653 VAL C . 17488 1
219 . 1 1 17 17 VAL CA C 13 67.675 0.400 . 1 . . . A 653 VAL CA . 17488 1
220 . 1 1 17 17 VAL CB C 13 31.282 0.400 . 1 . . . A 653 VAL CB . 17488 1
221 . 1 1 17 17 VAL CG1 C 13 21.781 0.400 . 1 . . . A 653 VAL CG1 . 17488 1
222 . 1 1 17 17 VAL CG2 C 13 23.524 0.400 . 1 . . . A 653 VAL CG2 . 17488 1
223 . 1 1 17 17 VAL N N 15 118.673 0.400 . 1 . . . A 653 VAL N . 17488 1
224 . 1 1 18 18 VAL H H 1 8.212 0.020 . 1 . . . A 654 VAL H . 17488 1
225 . 1 1 18 18 VAL HA H 1 3.631 0.020 . 1 . . . A 654 VAL HA . 17488 1
226 . 1 1 18 18 VAL HB H 1 2.347 0.020 . 1 . . . A 654 VAL HB . 17488 1
227 . 1 1 18 18 VAL HG11 H 1 0.968 0.020 . 2 . . . A 654 VAL HG11 . 17488 1
228 . 1 1 18 18 VAL HG12 H 1 0.968 0.020 . 2 . . . A 654 VAL HG12 . 17488 1
229 . 1 1 18 18 VAL HG13 H 1 0.968 0.020 . 2 . . . A 654 VAL HG13 . 17488 1
230 . 1 1 18 18 VAL HG21 H 1 1.103 0.020 . 2 . . . A 654 VAL HG21 . 17488 1
231 . 1 1 18 18 VAL HG22 H 1 1.103 0.020 . 2 . . . A 654 VAL HG22 . 17488 1
232 . 1 1 18 18 VAL HG23 H 1 1.103 0.020 . 2 . . . A 654 VAL HG23 . 17488 1
233 . 1 1 18 18 VAL C C 13 177.766 0.400 . 1 . . . A 654 VAL C . 17488 1
234 . 1 1 18 18 VAL CA C 13 67.786 0.400 . 1 . . . A 654 VAL CA . 17488 1
235 . 1 1 18 18 VAL CB C 13 31.165 0.400 . 1 . . . A 654 VAL CB . 17488 1
236 . 1 1 18 18 VAL CG1 C 13 21.870 0.400 . 1 . . . A 654 VAL CG1 . 17488 1
237 . 1 1 18 18 VAL CG2 C 13 23.367 0.400 . 1 . . . A 654 VAL CG2 . 17488 1
238 . 1 1 18 18 VAL N N 15 118.992 0.400 . 1 . . . A 654 VAL N . 17488 1
239 . 1 1 19 19 ILE H H 1 8.340 0.020 . 1 . . . A 655 ILE H . 17488 1
240 . 1 1 19 19 ILE HA H 1 3.684 0.020 . 1 . . . A 655 ILE HA . 17488 1
241 . 1 1 19 19 ILE HB H 1 2.024 0.020 . 1 . . . A 655 ILE HB . 17488 1
242 . 1 1 19 19 ILE HG12 H 1 1.107 0.020 . 1 . . . A 655 ILE HG12 . 17488 1
243 . 1 1 19 19 ILE HG13 H 1 1.826 0.020 . 1 . . . A 655 ILE HG13 . 17488 1
244 . 1 1 19 19 ILE HG21 H 1 0.814 0.020 . 1 . . . A 655 ILE HG21 . 17488 1
245 . 1 1 19 19 ILE HG22 H 1 0.814 0.020 . 1 . . . A 655 ILE HG22 . 17488 1
246 . 1 1 19 19 ILE HG23 H 1 0.814 0.020 . 1 . . . A 655 ILE HG23 . 17488 1
247 . 1 1 19 19 ILE HD11 H 1 0.798 0.020 . 1 . . . A 655 ILE HD11 . 17488 1
248 . 1 1 19 19 ILE HD12 H 1 0.798 0.020 . 1 . . . A 655 ILE HD12 . 17488 1
249 . 1 1 19 19 ILE HD13 H 1 0.798 0.020 . 1 . . . A 655 ILE HD13 . 17488 1
250 . 1 1 19 19 ILE C C 13 177.709 0.400 . 1 . . . A 655 ILE C . 17488 1
251 . 1 1 19 19 ILE CA C 13 65.442 0.400 . 1 . . . A 655 ILE CA . 17488 1
252 . 1 1 19 19 ILE CB C 13 37.308 0.400 . 1 . . . A 655 ILE CB . 17488 1
253 . 1 1 19 19 ILE CG1 C 13 29.411 0.400 . 1 . . . A 655 ILE CG1 . 17488 1
254 . 1 1 19 19 ILE CG2 C 13 17.227 0.400 . 1 . . . A 655 ILE CG2 . 17488 1
255 . 1 1 19 19 ILE CD1 C 13 12.981 0.400 . 1 . . . A 655 ILE CD1 . 17488 1
256 . 1 1 19 19 ILE N N 15 119.628 0.400 . 1 . . . A 655 ILE N . 17488 1
257 . 1 1 20 20 PHE H H 1 8.750 0.020 . 1 . . . A 656 PHE H . 17488 1
258 . 1 1 20 20 PHE HA H 1 4.233 0.020 . 1 . . . A 656 PHE HA . 17488 1
259 . 1 1 20 20 PHE HB2 H 1 3.269 0.020 . 2 . . . A 656 PHE HB2 . 17488 1
260 . 1 1 20 20 PHE HB3 H 1 3.208 0.020 . 2 . . . A 656 PHE HB3 . 17488 1
261 . 1 1 20 20 PHE HD1 H 1 7.151 0.020 . 1 . . . A 656 PHE HD1 . 17488 1
262 . 1 1 20 20 PHE HD2 H 1 7.151 0.020 . 1 . . . A 656 PHE HD2 . 17488 1
263 . 1 1 20 20 PHE HE1 H 1 7.089 0.020 . 1 . . . A 656 PHE HE1 . 17488 1
264 . 1 1 20 20 PHE HE2 H 1 7.089 0.020 . 1 . . . A 656 PHE HE2 . 17488 1
265 . 1 1 20 20 PHE HZ H 1 7.024 0.020 . 1 . . . A 656 PHE HZ . 17488 1
266 . 1 1 20 20 PHE C C 13 177.995 0.400 . 1 . . . A 656 PHE C . 17488 1
267 . 1 1 20 20 PHE CA C 13 62.013 0.400 . 1 . . . A 656 PHE CA . 17488 1
268 . 1 1 20 20 PHE CB C 13 38.500 0.400 . 1 . . . A 656 PHE CB . 17488 1
269 . 1 1 20 20 PHE CD2 C 13 128.572 0.400 . 1 . . . A 656 PHE CD2 . 17488 1
270 . 1 1 20 20 PHE CE2 C 13 127.681 0.400 . 1 . . . A 656 PHE CE2 . 17488 1
271 . 1 1 20 20 PHE CZ C 13 125.927 0.400 . 1 . . . A 656 PHE CZ . 17488 1
272 . 1 1 20 20 PHE N N 15 119.601 0.400 . 1 . . . A 656 PHE N . 17488 1
273 . 1 1 21 21 MET H H 1 8.749 0.020 . 1 . . . A 657 MET H . 17488 1
274 . 1 1 21 21 MET HA H 1 4.087 0.020 . 1 . . . A 657 MET HA . 17488 1
275 . 1 1 21 21 MET HB2 H 1 2.435 0.020 . 1 . . . A 657 MET HB2 . 17488 1
276 . 1 1 21 21 MET HB3 H 1 2.047 0.020 . 1 . . . A 657 MET HB3 . 17488 1
277 . 1 1 21 21 MET HG2 H 1 2.537 0.020 . 1 . . . A 657 MET HG2 . 17488 1
278 . 1 1 21 21 MET HG3 H 1 2.882 0.020 . 1 . . . A 657 MET HG3 . 17488 1
279 . 1 1 21 21 MET HE1 H 1 2.011 0.020 . 1 . . . A 657 MET HE1 . 17488 1
280 . 1 1 21 21 MET HE2 H 1 2.011 0.020 . 1 . . . A 657 MET HE2 . 17488 1
281 . 1 1 21 21 MET HE3 H 1 2.011 0.020 . 1 . . . A 657 MET HE3 . 17488 1
282 . 1 1 21 21 MET C C 13 178.195 0.400 . 1 . . . A 657 MET C . 17488 1
283 . 1 1 21 21 MET CA C 13 59.572 0.400 . 1 . . . A 657 MET CA . 17488 1
284 . 1 1 21 21 MET CB C 13 33.073 0.400 . 1 . . . A 657 MET CB . 17488 1
285 . 1 1 21 21 MET CG C 13 33.142 0.400 . 1 . . . A 657 MET CG . 17488 1
286 . 1 1 21 21 MET CE C 13 17.152 0.400 . 1 . . . A 657 MET CE . 17488 1
287 . 1 1 21 21 MET N N 15 118.290 0.400 . 1 . . . A 657 MET N . 17488 1
288 . 1 1 22 22 MET H H 1 8.566 0.020 . 1 . . . A 658 MET H . 17488 1
289 . 1 1 22 22 MET HA H 1 4.170 0.020 . 1 . . . A 658 MET HA . 17488 1
290 . 1 1 22 22 MET HB2 H 1 2.329 0.020 . 1 . . . A 658 MET HB2 . 17488 1
291 . 1 1 22 22 MET HB3 H 1 2.046 0.020 . 1 . . . A 658 MET HB3 . 17488 1
292 . 1 1 22 22 MET HG2 H 1 2.429 0.020 . 1 . . . A 658 MET HG2 . 17488 1
293 . 1 1 22 22 MET HG3 H 1 2.786 0.020 . 1 . . . A 658 MET HG3 . 17488 1
294 . 1 1 22 22 MET HE1 H 1 1.964 0.020 . 1 . . . A 658 MET HE1 . 17488 1
295 . 1 1 22 22 MET HE2 H 1 1.964 0.020 . 1 . . . A 658 MET HE2 . 17488 1
296 . 1 1 22 22 MET HE3 H 1 1.964 0.020 . 1 . . . A 658 MET HE3 . 17488 1
297 . 1 1 22 22 MET C C 13 179.308 0.400 . 1 . . . A 658 MET C . 17488 1
298 . 1 1 22 22 MET CA C 13 59.110 0.400 . 1 . . . A 658 MET CA . 17488 1
299 . 1 1 22 22 MET CB C 13 33.001 0.400 . 1 . . . A 658 MET CB . 17488 1
300 . 1 1 22 22 MET CG C 13 32.755 0.400 . 1 . . . A 658 MET CG . 17488 1
301 . 1 1 22 22 MET CE C 13 17.135 0.400 . 1 . . . A 658 MET CE . 17488 1
302 . 1 1 22 22 MET N N 15 118.049 0.400 . 1 . . . A 658 MET N . 17488 1
303 . 1 1 23 23 LEU H H 1 8.810 0.020 . 1 . . . A 659 LEU H . 17488 1
304 . 1 1 23 23 LEU HA H 1 4.079 0.020 . 1 . . . A 659 LEU HA . 17488 1
305 . 1 1 23 23 LEU HB2 H 1 1.904 0.020 . 1 . . . A 659 LEU HB2 . 17488 1
306 . 1 1 23 23 LEU HB3 H 1 1.469 0.020 . 1 . . . A 659 LEU HB3 . 17488 1
307 . 1 1 23 23 LEU HG H 1 1.873 0.020 . 1 . . . A 659 LEU HG . 17488 1
308 . 1 1 23 23 LEU HD11 H 1 0.831 0.020 . 2 . . . A 659 LEU HD11 . 17488 1
309 . 1 1 23 23 LEU HD12 H 1 0.831 0.020 . 2 . . . A 659 LEU HD12 . 17488 1
310 . 1 1 23 23 LEU HD13 H 1 0.831 0.020 . 2 . . . A 659 LEU HD13 . 17488 1
311 . 1 1 23 23 LEU HD21 H 1 0.850 0.020 . 2 . . . A 659 LEU HD21 . 17488 1
312 . 1 1 23 23 LEU HD22 H 1 0.850 0.020 . 2 . . . A 659 LEU HD22 . 17488 1
313 . 1 1 23 23 LEU HD23 H 1 0.850 0.020 . 2 . . . A 659 LEU HD23 . 17488 1
314 . 1 1 23 23 LEU C C 13 178.452 0.400 . 1 . . . A 659 LEU C . 17488 1
315 . 1 1 23 23 LEU CA C 13 58.060 0.400 . 1 . . . A 659 LEU CA . 17488 1
316 . 1 1 23 23 LEU CB C 13 42.027 0.400 . 1 . . . A 659 LEU CB . 17488 1
317 . 1 1 23 23 LEU CG C 13 26.797 0.400 . 1 . . . A 659 LEU CG . 17488 1
318 . 1 1 23 23 LEU CD1 C 13 25.458 0.400 . 1 . . . A 659 LEU CD1 . 17488 1
319 . 1 1 23 23 LEU CD2 C 13 23.396 0.400 . 1 . . . A 659 LEU CD2 . 17488 1
320 . 1 1 23 23 LEU N N 15 121.690 0.400 . 1 . . . A 659 LEU N . 17488 1
321 . 1 1 24 24 GLY H H 1 8.945 0.020 . 1 . . . A 660 GLY H . 17488 1
322 . 1 1 24 24 GLY HA2 H 1 3.784 0.020 . 1 . . . A 660 GLY HA2 . 17488 1
323 . 1 1 24 24 GLY HA3 H 1 3.602 0.020 . 1 . . . A 660 GLY HA3 . 17488 1
324 . 1 1 24 24 GLY C C 13 175.368 0.400 . 1 . . . A 660 GLY C . 17488 1
325 . 1 1 24 24 GLY CA C 13 47.617 0.400 . 1 . . . A 660 GLY CA . 17488 1
326 . 1 1 24 24 GLY N N 15 106.838 0.400 . 1 . . . A 660 GLY N . 17488 1
327 . 1 1 25 25 GLY H H 1 8.938 0.020 . 1 . . . A 661 GLY H . 17488 1
328 . 1 1 25 25 GLY HA2 H 1 3.857 0.020 . 1 . . . A 661 GLY HA2 . 17488 1
329 . 1 1 25 25 GLY HA3 H 1 3.767 0.020 . 1 . . . A 661 GLY HA3 . 17488 1
330 . 1 1 25 25 GLY C C 13 174.711 0.400 . 1 . . . A 661 GLY C . 17488 1
331 . 1 1 25 25 GLY CA C 13 47.565 0.400 . 1 . . . A 661 GLY CA . 17488 1
332 . 1 1 25 25 GLY N N 15 108.547 0.400 . 1 . . . A 661 GLY N . 17488 1
333 . 1 1 26 26 THR H H 1 8.129 0.020 . 1 . . . A 662 THR H . 17488 1
334 . 1 1 26 26 THR HA H 1 3.965 0.020 . 1 . . . A 662 THR HA . 17488 1
335 . 1 1 26 26 THR HB H 1 4.312 0.020 . 1 . . . A 662 THR HB . 17488 1
336 . 1 1 26 26 THR HG1 H 1 4.642 0.020 . 1 . . . A 662 THR HG1 . 17488 1
337 . 1 1 26 26 THR HG21 H 1 1.165 0.020 . 1 . . . A 662 THR HG21 . 17488 1
338 . 1 1 26 26 THR HG22 H 1 1.165 0.020 . 1 . . . A 662 THR HG22 . 17488 1
339 . 1 1 26 26 THR HG23 H 1 1.165 0.020 . 1 . . . A 662 THR HG23 . 17488 1
340 . 1 1 26 26 THR C C 13 176.139 0.400 . 1 . . . A 662 THR C . 17488 1
341 . 1 1 26 26 THR CA C 13 68.178 0.400 . 1 . . . A 662 THR CA . 17488 1
342 . 1 1 26 26 THR CB C 13 68.073 0.400 . 1 . . . A 662 THR CB . 17488 1
343 . 1 1 26 26 THR CG2 C 13 21.744 0.400 . 1 . . . A 662 THR CG2 . 17488 1
344 . 1 1 26 26 THR N N 15 118.454 0.400 . 1 . . . A 662 THR N . 17488 1
345 . 1 1 27 27 PHE H H 1 8.421 0.020 . 1 . . . A 663 PHE H . 17488 1
346 . 1 1 27 27 PHE HA H 1 4.419 0.020 . 1 . . . A 663 PHE HA . 17488 1
347 . 1 1 27 27 PHE HB2 H 1 3.302 0.020 . 1 . . . A 663 PHE HB2 . 17488 1
348 . 1 1 27 27 PHE HB3 H 1 3.461 0.020 . 1 . . . A 663 PHE HB3 . 17488 1
349 . 1 1 27 27 PHE HD1 H 1 7.282 0.020 . 1 . . . A 663 PHE HD1 . 17488 1
350 . 1 1 27 27 PHE HD2 H 1 7.282 0.020 . 1 . . . A 663 PHE HD2 . 17488 1
351 . 1 1 27 27 PHE HE1 H 1 7.357 0.020 . 1 . . . A 663 PHE HE1 . 17488 1
352 . 1 1 27 27 PHE HE2 H 1 7.357 0.020 . 1 . . . A 663 PHE HE2 . 17488 1
353 . 1 1 27 27 PHE C C 13 176.967 0.400 . 1 . . . A 663 PHE C . 17488 1
354 . 1 1 27 27 PHE CA C 13 62.091 0.400 . 1 . . . A 663 PHE CA . 17488 1
355 . 1 1 27 27 PHE CB C 13 39.248 0.400 . 1 . . . A 663 PHE CB . 17488 1
356 . 1 1 27 27 PHE CD2 C 13 129.129 0.400 . 1 . . . A 663 PHE CD2 . 17488 1
357 . 1 1 27 27 PHE CE2 C 13 128.404 0.400 . 1 . . . A 663 PHE CE2 . 17488 1
358 . 1 1 27 27 PHE N N 15 121.373 0.400 . 1 . . . A 663 PHE N . 17488 1
359 . 1 1 28 28 LEU H H 1 8.461 0.020 . 1 . . . A 664 LEU H . 17488 1
360 . 1 1 28 28 LEU HA H 1 3.945 0.020 . 1 . . . A 664 LEU HA . 17488 1
361 . 1 1 28 28 LEU HB2 H 1 2.130 0.020 . 1 . . . A 664 LEU HB2 . 17488 1
362 . 1 1 28 28 LEU HB3 H 1 1.586 0.020 . 1 . . . A 664 LEU HB3 . 17488 1
363 . 1 1 28 28 LEU HG H 1 2.107 0.020 . 1 . . . A 664 LEU HG . 17488 1
364 . 1 1 28 28 LEU HD11 H 1 1.029 0.020 . 2 . . . A 664 LEU HD11 . 17488 1
365 . 1 1 28 28 LEU HD12 H 1 1.029 0.020 . 2 . . . A 664 LEU HD12 . 17488 1
366 . 1 1 28 28 LEU HD13 H 1 1.029 0.020 . 2 . . . A 664 LEU HD13 . 17488 1
367 . 1 1 28 28 LEU HD21 H 1 1.037 0.020 . 2 . . . A 664 LEU HD21 . 17488 1
368 . 1 1 28 28 LEU HD22 H 1 1.037 0.020 . 2 . . . A 664 LEU HD22 . 17488 1
369 . 1 1 28 28 LEU HD23 H 1 1.037 0.020 . 2 . . . A 664 LEU HD23 . 17488 1
370 . 1 1 28 28 LEU C C 13 179.394 0.400 . 1 . . . A 664 LEU C . 17488 1
371 . 1 1 28 28 LEU CA C 13 58.084 0.400 . 1 . . . A 664 LEU CA . 17488 1
372 . 1 1 28 28 LEU CB C 13 42.016 0.400 . 1 . . . A 664 LEU CB . 17488 1
373 . 1 1 28 28 LEU CG C 13 27.032 0.400 . 1 . . . A 664 LEU CG . 17488 1
374 . 1 1 28 28 LEU CD1 C 13 25.795 0.400 . 1 . . . A 664 LEU CD1 . 17488 1
375 . 1 1 28 28 LEU CD2 C 13 23.339 0.400 . 1 . . . A 664 LEU CD2 . 17488 1
376 . 1 1 28 28 LEU N N 15 118.446 0.400 . 1 . . . A 664 LEU N . 17488 1
377 . 1 1 29 29 TYR H H 1 8.578 0.020 . 1 . . . A 665 TYR H . 17488 1
378 . 1 1 29 29 TYR HA H 1 4.178 0.020 . 1 . . . A 665 TYR HA . 17488 1
379 . 1 1 29 29 TYR HB2 H 1 3.274 0.020 . 1 . . . A 665 TYR HB2 . 17488 1
380 . 1 1 29 29 TYR HB3 H 1 3.150 0.020 . 1 . . . A 665 TYR HB3 . 17488 1
381 . 1 1 29 29 TYR HD1 H 1 6.942 0.020 . 1 . . . A 665 TYR HD1 . 17488 1
382 . 1 1 29 29 TYR HD2 H 1 6.942 0.020 . 1 . . . A 665 TYR HD2 . 17488 1
383 . 1 1 29 29 TYR HE1 H 1 6.756 0.020 . 1 . . . A 665 TYR HE1 . 17488 1
384 . 1 1 29 29 TYR HE2 H 1 6.756 0.020 . 1 . . . A 665 TYR HE2 . 17488 1
385 . 1 1 29 29 TYR C C 13 177.224 0.400 . 1 . . . A 665 TYR C . 17488 1
386 . 1 1 29 29 TYR CA C 13 61.661 0.400 . 1 . . . A 665 TYR CA . 17488 1
387 . 1 1 29 29 TYR CB C 13 38.903 0.400 . 1 . . . A 665 TYR CB . 17488 1
388 . 1 1 29 29 TYR CD2 C 13 130.211 0.400 . 1 . . . A 665 TYR CD2 . 17488 1
389 . 1 1 29 29 TYR CE2 C 13 115.407 0.400 . 1 . . . A 665 TYR CE2 . 17488 1
390 . 1 1 29 29 TYR N N 15 120.874 0.400 . 1 . . . A 665 TYR N . 17488 1
391 . 1 1 30 30 TRP H H 1 8.786 0.020 . 1 . . . A 666 TRP H . 17488 1
392 . 1 1 30 30 TRP HA H 1 4.160 0.020 . 1 . . . A 666 TRP HA . 17488 1
393 . 1 1 30 30 TRP HB2 H 1 3.526 0.020 . 1 . . . A 666 TRP HB2 . 17488 1
394 . 1 1 30 30 TRP HB3 H 1 3.399 0.020 . 1 . . . A 666 TRP HB3 . 17488 1
395 . 1 1 30 30 TRP HD1 H 1 7.205 0.020 . 1 . . . A 666 TRP HD1 . 17488 1
396 . 1 1 30 30 TRP HE1 H 1 10.499 0.020 . 1 . . . A 666 TRP HE1 . 17488 1
397 . 1 1 30 30 TRP HE3 H 1 7.512 0.020 . 1 . . . A 666 TRP HE3 . 17488 1
398 . 1 1 30 30 TRP HZ2 H 1 7.518 0.020 . 1 . . . A 666 TRP HZ2 . 17488 1
399 . 1 1 30 30 TRP HZ3 H 1 7.108 0.020 . 1 . . . A 666 TRP HZ3 . 17488 1
400 . 1 1 30 30 TRP HH2 H 1 7.082 0.020 . 1 . . . A 666 TRP HH2 . 17488 1
401 . 1 1 30 30 TRP C C 13 178.252 0.400 . 1 . . . A 666 TRP C . 17488 1
402 . 1 1 30 30 TRP CA C 13 60.483 0.400 . 1 . . . A 666 TRP CA . 17488 1
403 . 1 1 30 30 TRP CB C 13 29.213 0.400 . 1 . . . A 666 TRP CB . 17488 1
404 . 1 1 30 30 TRP CD1 C 13 121.552 0.400 . 1 . . . A 666 TRP CD1 . 17488 1
405 . 1 1 30 30 TRP CE3 C 13 117.876 0.400 . 1 . . . A 666 TRP CE3 . 17488 1
406 . 1 1 30 30 TRP CZ2 C 13 111.948 0.400 . 1 . . . A 666 TRP CZ2 . 17488 1
407 . 1 1 30 30 TRP CZ3 C 13 126.028 0.400 . 1 . . . A 666 TRP CZ3 . 17488 1
408 . 1 1 30 30 TRP N N 15 120.276 0.400 . 1 . . . A 666 TRP N . 17488 1
409 . 1 1 30 30 TRP NE1 N 15 129.595 0.400 . 1 . . . A 666 TRP NE1 . 17488 1
410 . 1 1 31 31 ARG H H 1 8.555 0.020 . 1 . . . A 667 ARG H . 17488 1
411 . 1 1 31 31 ARG HA H 1 3.622 0.020 . 1 . . . A 667 ARG HA . 17488 1
412 . 1 1 31 31 ARG HB2 H 1 1.728 0.020 . 2 . . . A 667 ARG HB2 . 17488 1
413 . 1 1 31 31 ARG HB3 H 1 1.602 0.020 . 2 . . . A 667 ARG HB3 . 17488 1
414 . 1 1 31 31 ARG HG2 H 1 1.455 0.020 . 1 . . . A 667 ARG HG2 . 17488 1
415 . 1 1 31 31 ARG HG3 H 1 1.455 0.020 . 1 . . . A 667 ARG HG3 . 17488 1
416 . 1 1 31 31 ARG HD2 H 1 2.944 0.020 . 1 . . . A 667 ARG HD2 . 17488 1
417 . 1 1 31 31 ARG HD3 H 1 2.944 0.020 . 1 . . . A 667 ARG HD3 . 17488 1
418 . 1 1 31 31 ARG HE H 1 7.677 0.020 . 1 . . . A 667 ARG HE . 17488 1
419 . 1 1 31 31 ARG HH11 H 1 6.990 0.020 . 1 . . . A 667 ARG HH11 . 17488 1
420 . 1 1 31 31 ARG HH12 H 1 6.990 0.020 . 1 . . . A 667 ARG HH12 . 17488 1
421 . 1 1 31 31 ARG C C 13 178.195 0.400 . 1 . . . A 667 ARG C . 17488 1
422 . 1 1 31 31 ARG CA C 13 58.152 0.400 . 1 . . . A 667 ARG CA . 17488 1
423 . 1 1 31 31 ARG CB C 13 29.930 0.400 . 1 . . . A 667 ARG CB . 17488 1
424 . 1 1 31 31 ARG CG C 13 27.205 0.400 . 1 . . . A 667 ARG CG . 17488 1
425 . 1 1 31 31 ARG CD C 13 43.082 0.400 . 1 . . . A 667 ARG CD . 17488 1
426 . 1 1 31 31 ARG N N 15 118.113 0.400 . 1 . . . A 667 ARG N . 17488 1
427 . 1 1 31 31 ARG NE N 15 84.308 0.400 . 1 . . . A 667 ARG NE . 17488 1
428 . 1 1 31 31 ARG NH1 N 15 72.219 0.400 . 1 . . . A 667 ARG NH1 . 17488 1
429 . 1 1 32 32 GLY H H 1 8.027 0.020 . 1 . . . A 668 GLY H . 17488 1
430 . 1 1 32 32 GLY HA2 H 1 3.895 0.020 . 1 . . . A 668 GLY HA2 . 17488 1
431 . 1 1 32 32 GLY HA3 H 1 3.895 0.020 . 1 . . . A 668 GLY HA3 . 17488 1
432 . 1 1 32 32 GLY C C 13 174.997 0.400 . 1 . . . A 668 GLY C . 17488 1
433 . 1 1 32 32 GLY CA C 13 46.209 0.400 . 1 . . . A 668 GLY CA . 17488 1
434 . 1 1 32 32 GLY N N 15 106.594 0.400 . 1 . . . A 668 GLY N . 17488 1
435 . 1 1 33 33 ARG H H 1 7.842 0.020 . 1 . . . A 669 ARG H . 17488 1
436 . 1 1 33 33 ARG HA H 1 4.110 0.020 . 1 . . . A 669 ARG HA . 17488 1
437 . 1 1 33 33 ARG HB2 H 1 1.780 0.020 . 2 . . . A 669 ARG HB2 . 17488 1
438 . 1 1 33 33 ARG HB3 H 1 1.640 0.020 . 2 . . . A 669 ARG HB3 . 17488 1
439 . 1 1 33 33 ARG HG2 H 1 1.476 0.020 . 1 . . . A 669 ARG HG2 . 17488 1
440 . 1 1 33 33 ARG HG3 H 1 1.476 0.020 . 1 . . . A 669 ARG HG3 . 17488 1
441 . 1 1 33 33 ARG HD2 H 1 3.007 0.020 . 2 . . . A 669 ARG HD2 . 17488 1
442 . 1 1 33 33 ARG HD3 H 1 2.930 0.020 . 2 . . . A 669 ARG HD3 . 17488 1
443 . 1 1 33 33 ARG HE H 1 7.330 0.020 . 1 . . . A 669 ARG HE . 17488 1
444 . 1 1 33 33 ARG HH21 H 1 6.835 0.020 . 1 . . . A 669 ARG HH21 . 17488 1
445 . 1 1 33 33 ARG HH22 H 1 6.835 0.020 . 1 . . . A 669 ARG HH22 . 17488 1
446 . 1 1 33 33 ARG C C 13 177.224 0.400 . 1 . . . A 669 ARG C . 17488 1
447 . 1 1 33 33 ARG CA C 13 57.049 0.400 . 1 . . . A 669 ARG CA . 17488 1
448 . 1 1 33 33 ARG CB C 13 30.142 0.400 . 1 . . . A 669 ARG CB . 17488 1
449 . 1 1 33 33 ARG CG C 13 26.892 0.400 . 1 . . . A 669 ARG CG . 17488 1
450 . 1 1 33 33 ARG CD C 13 43.049 0.400 . 1 . . . A 669 ARG CD . 17488 1
451 . 1 1 33 33 ARG N N 15 119.984 0.400 . 1 . . . A 669 ARG N . 17488 1
452 . 1 1 33 33 ARG NE N 15 84.567 0.400 . 1 . . . A 669 ARG NE . 17488 1
453 . 1 1 33 33 ARG NH2 N 15 72.181 0.400 . 1 . . . A 669 ARG NH2 . 17488 1
454 . 1 1 34 34 ARG H H 1 7.773 0.020 . 1 . . . A 670 ARG H . 17488 1
455 . 1 1 34 34 ARG HA H 1 4.094 0.020 . 1 . . . A 670 ARG HA . 17488 1
456 . 1 1 34 34 ARG HB2 H 1 1.592 0.020 . 2 . . . A 670 ARG HB2 . 17488 1
457 . 1 1 34 34 ARG HB3 H 1 1.642 0.020 . 2 . . . A 670 ARG HB3 . 17488 1
458 . 1 1 34 34 ARG HG2 H 1 1.419 0.020 . 1 . . . A 670 ARG HG2 . 17488 1
459 . 1 1 34 34 ARG HG3 H 1 1.419 0.020 . 1 . . . A 670 ARG HG3 . 17488 1
460 . 1 1 34 34 ARG HD2 H 1 2.925 0.020 . 1 . . . A 670 ARG HD2 . 17488 1
461 . 1 1 34 34 ARG HD3 H 1 2.925 0.020 . 1 . . . A 670 ARG HD3 . 17488 1
462 . 1 1 34 34 ARG HE H 1 7.273 0.020 . 1 . . . A 670 ARG HE . 17488 1
463 . 1 1 34 34 ARG HH21 H 1 6.851 0.020 . 1 . . . A 670 ARG HH21 . 17488 1
464 . 1 1 34 34 ARG HH22 H 1 6.851 0.020 . 1 . . . A 670 ARG HH22 . 17488 1
465 . 1 1 34 34 ARG C C 13 176.539 0.400 . 1 . . . A 670 ARG C . 17488 1
466 . 1 1 34 34 ARG CA C 13 56.837 0.400 . 1 . . . A 670 ARG CA . 17488 1
467 . 1 1 34 34 ARG CB C 13 30.122 0.400 . 1 . . . A 670 ARG CB . 17488 1
468 . 1 1 34 34 ARG CG C 13 26.815 0.400 . 1 . . . A 670 ARG CG . 17488 1
469 . 1 1 34 34 ARG CD C 13 43.174 0.400 . 1 . . . A 670 ARG CD . 17488 1
470 . 1 1 34 34 ARG N N 15 118.591 0.400 . 1 . . . A 670 ARG N . 17488 1
471 . 1 1 34 34 ARG NE N 15 84.675 0.400 . 1 . . . A 670 ARG NE . 17488 1
472 . 1 1 34 34 ARG NH2 N 15 72.179 0.400 . 1 . . . A 670 ARG NH2 . 17488 1
473 . 1 1 35 35 HIS H H 1 8.035 0.020 . 1 . . . A 671 HIS H . 17488 1
474 . 1 1 35 35 HIS HA H 1 4.624 0.020 . 1 . . . A 671 HIS HA . 17488 1
475 . 1 1 35 35 HIS HB2 H 1 3.255 0.020 . 2 . . . A 671 HIS HB2 . 17488 1
476 . 1 1 35 35 HIS HB3 H 1 3.099 0.020 . 2 . . . A 671 HIS HB3 . 17488 1
477 . 1 1 35 35 HIS HD2 H 1 7.275 0.020 . 1 . . . A 671 HIS HD2 . 17488 1
478 . 1 1 35 35 HIS C C 13 174.254 0.400 . 1 . . . A 671 HIS C . 17488 1
479 . 1 1 35 35 HIS CA C 13 55.286 0.400 . 1 . . . A 671 HIS CA . 17488 1
480 . 1 1 35 35 HIS CB C 13 28.633 0.400 . 1 . . . A 671 HIS CB . 17488 1
481 . 1 1 35 35 HIS CD2 C 13 117.349 0.400 . 1 . . . A 671 HIS CD2 . 17488 1
482 . 1 1 35 35 HIS N N 15 116.788 0.400 . 1 . . . A 671 HIS N . 17488 1
483 . 1 1 36 36 HIS H H 1 8.220 0.020 . 1 . . . A 672 HIS H . 17488 1
484 . 1 1 36 36 HIS HA H 1 4.659 0.020 . 1 . . . A 672 HIS HA . 17488 1
485 . 1 1 36 36 HIS HB2 H 1 3.279 0.020 . 2 . . . A 672 HIS HB2 . 17488 1
486 . 1 1 36 36 HIS HB3 H 1 3.141 0.020 . 2 . . . A 672 HIS HB3 . 17488 1
487 . 1 1 36 36 HIS HD2 H 1 7.298 0.020 . 1 . . . A 672 HIS HD2 . 17488 1
488 . 1 1 36 36 HIS C C 13 173.969 0.400 . 1 . . . A 672 HIS C . 17488 1
489 . 1 1 36 36 HIS CA C 13 55.275 0.400 . 1 . . . A 672 HIS CA . 17488 1
490 . 1 1 36 36 HIS CB C 13 28.673 0.400 . 1 . . . A 672 HIS CB . 17488 1
491 . 1 1 36 36 HIS CD2 C 13 117.349 0.400 . 1 . . . A 672 HIS CD2 . 17488 1
492 . 1 1 36 36 HIS N N 15 118.291 0.400 . 1 . . . A 672 HIS N . 17488 1
493 . 1 1 37 37 HIS H H 1 8.487 0.020 . 1 . . . A 673 HIS H . 17488 1
494 . 1 1 37 37 HIS HA H 1 4.682 0.020 . 1 . . . A 673 HIS HA . 17488 1
495 . 1 1 37 37 HIS HB2 H 1 3.269 0.020 . 2 . . . A 673 HIS HB2 . 17488 1
496 . 1 1 37 37 HIS HB3 H 1 3.166 0.020 . 2 . . . A 673 HIS HB3 . 17488 1
497 . 1 1 37 37 HIS HD2 H 1 7.340 0.020 . 1 . . . A 673 HIS HD2 . 17488 1
498 . 1 1 37 37 HIS C C 13 173.997 0.400 . 1 . . . A 673 HIS C . 17488 1
499 . 1 1 37 37 HIS CA C 13 55.171 0.400 . 1 . . . A 673 HIS CA . 17488 1
500 . 1 1 37 37 HIS CB C 13 29.138 0.400 . 1 . . . A 673 HIS CB . 17488 1
501 . 1 1 37 37 HIS CD2 C 13 117.579 0.400 . 1 . . . A 673 HIS CD2 . 17488 1
502 . 1 1 37 37 HIS N N 15 119.232 0.400 . 1 . . . A 673 HIS N . 17488 1
503 . 1 1 38 38 HIS H H 1 8.626 0.020 . 1 . . . A 674 HIS H . 17488 1
504 . 1 1 38 38 HIS HA H 1 4.705 0.020 . 1 . . . A 674 HIS HA . 17488 1
505 . 1 1 38 38 HIS HB2 H 1 3.281 0.020 . 2 . . . A 674 HIS HB2 . 17488 1
506 . 1 1 38 38 HIS HB3 H 1 3.192 0.020 . 2 . . . A 674 HIS HB3 . 17488 1
507 . 1 1 38 38 HIS HD2 H 1 7.303 0.020 . 1 . . . A 674 HIS HD2 . 17488 1
508 . 1 1 38 38 HIS C C 13 173.769 0.400 . 1 . . . A 674 HIS C . 17488 1
509 . 1 1 38 38 HIS CA C 13 55.171 0.400 . 1 . . . A 674 HIS CA . 17488 1
510 . 1 1 38 38 HIS CB C 13 28.967 0.400 . 1 . . . A 674 HIS CB . 17488 1
511 . 1 1 38 38 HIS CD2 C 13 117.478 0.400 . 1 . . . A 674 HIS CD2 . 17488 1
512 . 1 1 38 38 HIS N N 15 120.002 0.400 . 1 . . . A 674 HIS N . 17488 1
513 . 1 1 39 39 HIS H H 1 8.548 0.020 . 1 . . . A 675 HIS H . 17488 1
514 . 1 1 39 39 HIS HA H 1 4.705 0.020 . 1 . . . A 675 HIS HA . 17488 1
515 . 1 1 39 39 HIS HB2 H 1 3.297 0.020 . 1 . . . A 675 HIS HB2 . 17488 1
516 . 1 1 39 39 HIS HB3 H 1 3.297 0.020 . 1 . . . A 675 HIS HB3 . 17488 1
517 . 1 1 39 39 HIS HD2 H 1 7.380 0.020 . 1 . . . A 675 HIS HD2 . 17488 1
518 . 1 1 39 39 HIS C C 13 173.397 0.400 . 1 . . . A 675 HIS C . 17488 1
519 . 1 1 39 39 HIS CA C 13 55.401 0.400 . 1 . . . A 675 HIS CA . 17488 1
520 . 1 1 39 39 HIS CB C 13 29.237 0.400 . 1 . . . A 675 HIS CB . 17488 1
521 . 1 1 39 39 HIS CD2 C 13 117.818 0.400 . 1 . . . A 675 HIS CD2 . 17488 1
522 . 1 1 39 39 HIS N N 15 120.269 0.400 . 1 . . . A 675 HIS N . 17488 1
523 . 1 1 40 40 HIS H H 1 8.415 0.020 . 1 . . . A 676 HIS H . 17488 1
524 . 1 1 40 40 HIS CA C 13 56.722 0.400 . 1 . . . A 676 HIS CA . 17488 1
525 . 1 1 40 40 HIS N N 15 124.968 0.400 . 1 . . . A 676 HIS N . 17488 1
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