###################################
# 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_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 34698
_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 HNCACB' . . . 34698 1
2 '3D HN(CO)CACB' . . . 34698 1
3 '3D HNCO' . . . 34698 1
4 '3D HN(CA)CO' . . . 34698 1
5 '2D 1H-13C HSQC aliphatic' . . . 34698 1
6 '3D 1H-13C NOESY aliphatic' . . . 34698 1
7 '2D 1H-15N HSQC' . . . 34698 1
8 '3D 1H-15N NOESY' . . . 34698 1
9 '3D HNCA' . . . 34698 1
12 '2D 1H-13C HSQC aromatic' . . . 34698 1
15 '2D 1H-13C HSQC aliphatic amino acid specific' . . . 34698 1
16 '3D HCCH-TOCSY' . . . 34698 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 9 9 LYS C C 13 176.629 0.001 . 1 . . . . A 54 LYS C . 34698 1
2 . 1 . 1 9 9 LYS CA C 13 56.645 0.004 . 1 . . . . A 54 LYS CA . 34698 1
3 . 1 . 1 9 9 LYS CB C 13 32.959 0.028 . 1 . . . . A 54 LYS CB . 34698 1
4 . 1 . 1 9 9 LYS CG C 13 24.772 0.008 . 1 . . . . A 54 LYS CG . 34698 1
5 . 1 . 1 10 10 ARG H H 1 8.319 0.001 . 1 . . . . A 55 ARG H . 34698 1
6 . 1 . 1 10 10 ARG HA H 1 4.3 0.002 . 1 . . . . A 55 ARG HA . 34698 1
7 . 1 . 1 10 10 ARG HB2 H 1 1.756 0.003 . 2 . . . . A 55 ARG HB2 . 34698 1
8 . 1 . 1 10 10 ARG HB3 H 1 1.83 0.003 . 2 . . . . A 55 ARG HB3 . 34698 1
9 . 1 . 1 10 10 ARG HG2 H 1 1.605 0.003 . 2 . . . . A 55 ARG HG2 . 34698 1
10 . 1 . 1 10 10 ARG HG3 H 1 1.636 0.003 . 2 . . . . A 55 ARG HG3 . 34698 1
11 . 1 . 1 10 10 ARG HD2 H 1 3.191 0.003 . 1 . . . . A 55 ARG HD2 . 34698 1
12 . 1 . 1 10 10 ARG C C 13 176.406 0.023 . 1 . . . . A 55 ARG C . 34698 1
13 . 1 . 1 10 10 ARG CA C 13 56.369 0.063 . 1 . . . . A 55 ARG CA . 34698 1
14 . 1 . 1 10 10 ARG CB C 13 30.795 0.023 . 1 . . . . A 55 ARG CB . 34698 1
15 . 1 . 1 10 10 ARG CG C 13 27.109 0.008 . 1 . . . . A 55 ARG CG . 34698 1
16 . 1 . 1 10 10 ARG CD C 13 43.312 0.024 . 1 . . . . A 55 ARG CD . 34698 1
17 . 1 . 1 10 10 ARG N N 15 122.36 0.014 . 1 . . . . A 55 ARG N . 34698 1
18 . 1 . 1 11 11 GLU H H 1 8.426 0.001 . 1 . . . . A 56 GLU H . 34698 1
19 . 1 . 1 11 11 GLU C C 13 176.182 0.006 . 1 . . . . A 56 GLU C . 34698 1
20 . 1 . 1 11 11 GLU CA C 13 56.602 0.045 . 1 . . . . A 56 GLU CA . 34698 1
21 . 1 . 1 11 11 GLU CB C 13 30.279 0.088 . 1 . . . . A 56 GLU CB . 34698 1
22 . 1 . 1 11 11 GLU N N 15 122.343 0.013 . 1 . . . . A 56 GLU N . 34698 1
23 . 1 . 1 12 12 ALA H H 1 8.294 0.001 . 1 . . . . A 57 ALA H . 34698 1
24 . 1 . 1 12 12 ALA HA H 1 4.298 0.003 . 1 . . . . A 57 ALA HA . 34698 1
25 . 1 . 1 12 12 ALA HB1 H 1 1.392 0.001 . 1 . . . . A 57 ALA HB1 . 34698 1
26 . 1 . 1 12 12 ALA HB2 H 1 1.392 0.001 . 1 . . . . A 57 ALA HB2 . 34698 1
27 . 1 . 1 12 12 ALA HB3 H 1 1.392 0.001 . 1 . . . . A 57 ALA HB3 . 34698 1
28 . 1 . 1 12 12 ALA C C 13 177.549 0.007 . 1 . . . . A 57 ALA C . 34698 1
29 . 1 . 1 12 12 ALA CA C 13 52.545 0.063 . 1 . . . . A 57 ALA CA . 34698 1
30 . 1 . 1 12 12 ALA CB C 13 19.347 0.033 . 1 . . . . A 57 ALA CB . 34698 1
31 . 1 . 1 12 12 ALA N N 15 125.114 0.008 . 1 . . . . A 57 ALA N . 34698 1
32 . 1 . 1 13 13 ALA H H 1 8.308 0.001 . 1 . . . . A 58 ALA H . 34698 1
33 . 1 . 1 13 13 ALA HA H 1 4.366 0.002 . 1 . . . . A 58 ALA HA . 34698 1
34 . 1 . 1 13 13 ALA HB1 H 1 1.42 0.004 . 1 . . . . A 58 ALA HB1 . 34698 1
35 . 1 . 1 13 13 ALA HB2 H 1 1.42 0.004 . 1 . . . . A 58 ALA HB2 . 34698 1
36 . 1 . 1 13 13 ALA HB3 H 1 1.42 0.004 . 1 . . . . A 58 ALA HB3 . 34698 1
37 . 1 . 1 13 13 ALA C C 13 178.076 0.008 . 1 . . . . A 58 ALA C . 34698 1
38 . 1 . 1 13 13 ALA CA C 13 52.638 0.066 . 1 . . . . A 58 ALA CA . 34698 1
39 . 1 . 1 13 13 ALA CB C 13 19.294 0.053 . 1 . . . . A 58 ALA CB . 34698 1
40 . 1 . 1 13 13 ALA N N 15 123.324 0.031 . 1 . . . . A 58 ALA N . 34698 1
41 . 1 . 1 14 14 THR H H 1 8.069 0.002 . 1 . . . . A 59 THR H . 34698 1
42 . 1 . 1 14 14 THR C C 13 174.778 0.023 . 1 . . . . A 59 THR C . 34698 1
43 . 1 . 1 14 14 THR CA C 13 61.935 0.027 . 1 . . . . A 59 THR CA . 34698 1
44 . 1 . 1 14 14 THR CB C 13 69.871 0.064 . 1 . . . . A 59 THR CB . 34698 1
45 . 1 . 1 14 14 THR N N 15 112.904 0.009 . 1 . . . . A 59 THR N . 34698 1
46 . 1 . 1 15 15 GLU H H 1 8.39 0.002 . 1 . . . . A 60 GLU H . 34698 1
47 . 1 . 1 15 15 GLU C C 13 176.505 0 . 1 . . . . A 60 GLU C . 34698 1
48 . 1 . 1 15 15 GLU CA C 13 56.584 0 . 1 . . . . A 60 GLU CA . 34698 1
49 . 1 . 1 15 15 GLU CB C 13 30.394 0 . 1 . . . . A 60 GLU CB . 34698 1
50 . 1 . 1 15 15 GLU N N 15 123.139 0.037 . 1 . . . . A 60 GLU N . 34698 1
51 . 1 . 1 17 17 GLY HA2 H 1 3.99 0 . 1 . . . . A 62 GLY HA2 . 34698 1
52 . 1 . 1 17 17 GLY HA3 H 1 3.99 0 . 1 . . . . A 62 GLY HA3 . 34698 1
53 . 1 . 1 17 17 GLY C C 13 173.72 0.006 . 1 . . . . A 62 GLY C . 34698 1
54 . 1 . 1 17 17 GLY CA C 13 45.442 0.02 . 1 . . . . A 62 GLY CA . 34698 1
55 . 1 . 1 18 18 LYS H H 1 8.047 0.002 . 1 . . . . A 63 LYS H . 34698 1
56 . 1 . 1 18 18 LYS HA H 1 4.414 0.002 . 1 . . . . A 63 LYS HA . 34698 1
57 . 1 . 1 18 18 LYS HB2 H 1 1.812 0.008 . 2 . . . . A 63 LYS HB2 . 34698 1
58 . 1 . 1 18 18 LYS HB3 H 1 1.737 0.004 . 2 . . . . A 63 LYS HB3 . 34698 1
59 . 1 . 1 18 18 LYS HE2 H 1 2.948 0.001 . 1 . . . . A 63 LYS HE2 . 34698 1
60 . 1 . 1 18 18 LYS C C 13 176.446 0.009 . 1 . . . . A 63 LYS C . 34698 1
61 . 1 . 1 18 18 LYS CA C 13 56.176 0.055 . 1 . . . . A 63 LYS CA . 34698 1
62 . 1 . 1 18 18 LYS CB C 13 33.413 0.027 . 1 . . . . A 63 LYS CB . 34698 1
63 . 1 . 1 18 18 LYS CG C 13 24.705 0.012 . 1 . . . . A 63 LYS CG . 34698 1
64 . 1 . 1 18 18 LYS CD C 13 28.916 0.021 . 1 . . . . A 63 LYS CD . 34698 1
65 . 1 . 1 18 18 LYS CE C 13 41.993 0.018 . 1 . . . . A 63 LYS CE . 34698 1
66 . 1 . 1 18 18 LYS N N 15 120.728 0.037 . 1 . . . . A 63 LYS N . 34698 1
67 . 1 . 1 19 19 THR H H 1 8.655 0.002 . 1 . . . . A 64 THR H . 34698 1
68 . 1 . 1 19 19 THR HA H 1 3.417 0.003 . 1 . . . . A 64 THR HA . 34698 1
69 . 1 . 1 19 19 THR HB H 1 3.078 0.005 . 1 . . . . A 64 THR HB . 34698 1
70 . 1 . 1 19 19 THR HG21 H 1 0.5 0.001 . 1 . . . . A 64 THR HG21 . 34698 1
71 . 1 . 1 19 19 THR HG22 H 1 0.5 0.001 . 1 . . . . A 64 THR HG22 . 34698 1
72 . 1 . 1 19 19 THR HG23 H 1 0.5 0.001 . 1 . . . . A 64 THR HG23 . 34698 1
73 . 1 . 1 19 19 THR C C 13 171.982 0.011 . 1 . . . . A 64 THR C . 34698 1
74 . 1 . 1 19 19 THR CA C 13 58.578 0.041 . 1 . . . . A 64 THR CA . 34698 1
75 . 1 . 1 19 19 THR CB C 13 68.694 0.069 . 1 . . . . A 64 THR CB . 34698 1
76 . 1 . 1 19 19 THR CG2 C 13 20.389 0.024 . 1 . . . . A 64 THR CG2 . 34698 1
77 . 1 . 1 19 19 THR N N 15 116.332 0.036 . 1 . . . . A 64 THR N . 34698 1
78 . 1 . 1 20 20 ALA H H 1 7.921 0.003 . 1 . . . . A 65 ALA H . 34698 1
79 . 1 . 1 20 20 ALA HA H 1 5.291 0.002 . 1 . . . . A 65 ALA HA . 34698 1
80 . 1 . 1 20 20 ALA HB1 H 1 1.391 0.001 . 1 . . . . A 65 ALA HB1 . 34698 1
81 . 1 . 1 20 20 ALA HB2 H 1 1.391 0.001 . 1 . . . . A 65 ALA HB2 . 34698 1
82 . 1 . 1 20 20 ALA HB3 H 1 1.391 0.001 . 1 . . . . A 65 ALA HB3 . 34698 1
83 . 1 . 1 20 20 ALA C C 13 175.105 0 . 1 . . . . A 65 ALA C . 34698 1
84 . 1 . 1 20 20 ALA CA C 13 50.477 0.082 . 1 . . . . A 65 ALA CA . 34698 1
85 . 1 . 1 20 20 ALA CB C 13 23.354 0.047 . 1 . . . . A 65 ALA CB . 34698 1
86 . 1 . 1 20 20 ALA N N 15 125.343 0.04 . 1 . . . . A 65 ALA N . 34698 1
87 . 1 . 1 21 21 VAL H H 1 8.756 0.001 . 1 . . . . A 66 VAL H . 34698 1
88 . 1 . 1 21 21 VAL HA H 1 5.096 0.007 . 1 . . . . A 66 VAL HA . 34698 1
89 . 1 . 1 21 21 VAL HB H 1 2.339 0.003 . 1 . . . . A 66 VAL HB . 34698 1
90 . 1 . 1 21 21 VAL HG11 H 1 1.118 0 . 2 . . . . A 66 VAL HG11 . 34698 1
91 . 1 . 1 21 21 VAL HG12 H 1 1.118 0 . 2 . . . . A 66 VAL HG12 . 34698 1
92 . 1 . 1 21 21 VAL HG13 H 1 1.118 0 . 2 . . . . A 66 VAL HG13 . 34698 1
93 . 1 . 1 21 21 VAL HG21 H 1 1.126 0.001 . 2 . . . . A 66 VAL HG21 . 34698 1
94 . 1 . 1 21 21 VAL HG22 H 1 1.126 0.001 . 2 . . . . A 66 VAL HG22 . 34698 1
95 . 1 . 1 21 21 VAL HG23 H 1 1.126 0.001 . 2 . . . . A 66 VAL HG23 . 34698 1
96 . 1 . 1 21 21 VAL C C 13 171.84 0 . 1 . . . . A 66 VAL C . 34698 1
97 . 1 . 1 21 21 VAL CA C 13 59.412 0.027 . 1 . . . . A 66 VAL CA . 34698 1
98 . 1 . 1 21 21 VAL CB C 13 35.733 0.018 . 1 . . . . A 66 VAL CB . 34698 1
99 . 1 . 1 21 21 VAL CG1 C 13 18.395 0 . 2 . . . . A 66 VAL CG1 . 34698 1
100 . 1 . 1 21 21 VAL CG2 C 13 23.052 0 . 2 . . . . A 66 VAL CG2 . 34698 1
101 . 1 . 1 21 21 VAL N N 15 115.901 0.024 . 1 . . . . A 66 VAL N . 34698 1
102 . 1 . 1 22 22 VAL H H 1 8.337 0.002 . 1 . . . . A 67 VAL H . 34698 1
103 . 1 . 1 22 22 VAL HA H 1 5.596 0.005 . 1 . . . . A 67 VAL HA . 34698 1
104 . 1 . 1 22 22 VAL HB H 1 1.928 0.004 . 1 . . . . A 67 VAL HB . 34698 1
105 . 1 . 1 22 22 VAL HG11 H 1 0.908 0.005 . 2 . . . . A 67 VAL HG11 . 34698 1
106 . 1 . 1 22 22 VAL HG12 H 1 0.908 0.005 . 2 . . . . A 67 VAL HG12 . 34698 1
107 . 1 . 1 22 22 VAL HG13 H 1 0.908 0.005 . 2 . . . . A 67 VAL HG13 . 34698 1
108 . 1 . 1 22 22 VAL HG21 H 1 0.993 0.003 . 2 . . . . A 67 VAL HG21 . 34698 1
109 . 1 . 1 22 22 VAL HG22 H 1 0.993 0.003 . 2 . . . . A 67 VAL HG22 . 34698 1
110 . 1 . 1 22 22 VAL HG23 H 1 0.993 0.003 . 2 . . . . A 67 VAL HG23 . 34698 1
111 . 1 . 1 22 22 VAL C C 13 175.963 0.003 . 1 . . . . A 67 VAL C . 34698 1
112 . 1 . 1 22 22 VAL CA C 13 60.332 0.075 . 1 . . . . A 67 VAL CA . 34698 1
113 . 1 . 1 22 22 VAL CB C 13 33.992 0.046 . 1 . . . . A 67 VAL CB . 34698 1
114 . 1 . 1 22 22 VAL CG1 C 13 22.12 0.018 . 2 . . . . A 67 VAL CG1 . 34698 1
115 . 1 . 1 22 22 VAL CG2 C 13 21.158 0 . 2 . . . . A 67 VAL CG2 . 34698 1
116 . 1 . 1 22 22 VAL N N 15 123.669 0.054 . 1 . . . . A 67 VAL N . 34698 1
117 . 1 . 1 23 23 PHE H H 1 9.081 0.001 . 1 . . . . A 68 PHE H . 34698 1
118 . 1 . 1 23 23 PHE HA H 1 5.693 0.002 . 1 . . . . A 68 PHE HA . 34698 1
119 . 1 . 1 23 23 PHE HB2 H 1 2.749 0 . 2 . . . . A 68 PHE HB2 . 34698 1
120 . 1 . 1 23 23 PHE HB3 H 1 3.268 0 . 2 . . . . A 68 PHE HB3 . 34698 1
121 . 1 . 1 23 23 PHE CA C 13 54.532 0.008 . 1 . . . . A 68 PHE CA . 34698 1
122 . 1 . 1 23 23 PHE CB C 13 42.166 0.004 . 1 . . . . A 68 PHE CB . 34698 1
123 . 1 . 1 23 23 PHE N N 15 124.759 0.013 . 1 . . . . A 68 PHE N . 34698 1
124 . 1 . 1 24 24 SER H H 1 9.697 0 . 1 . . . . A 69 SER H . 34698 1
125 . 1 . 1 24 24 SER HA H 1 5.681 0.003 . 1 . . . . A 69 SER HA . 34698 1
126 . 1 . 1 24 24 SER HB2 H 1 3.614 0.001 . 2 . . . . A 69 SER HB2 . 34698 1
127 . 1 . 1 24 24 SER HB3 H 1 3.765 0.001 . 2 . . . . A 69 SER HB3 . 34698 1
128 . 1 . 1 24 24 SER C C 13 174.036 0 . 1 . . . . A 69 SER C . 34698 1
129 . 1 . 1 24 24 SER CA C 13 56.369 0.044 . 1 . . . . A 69 SER CA . 34698 1
130 . 1 . 1 24 24 SER CB C 13 65.795 0 . 1 . . . . A 69 SER CB . 34698 1
131 . 1 . 1 24 24 SER N N 15 115.847 0 . 1 . . . . A 69 SER N . 34698 1
132 . 1 . 1 25 25 LEU H H 1 8.954 0.003 . 1 . . . . A 70 LEU H . 34698 1
133 . 1 . 1 25 25 LEU HA H 1 5.064 0.003 . 1 . . . . A 70 LEU HA . 34698 1
134 . 1 . 1 25 25 LEU HB2 H 1 1.907 0.005 . 2 . . . . A 70 LEU HB2 . 34698 1
135 . 1 . 1 25 25 LEU HB3 H 1 1.811 0.006 . 2 . . . . A 70 LEU HB3 . 34698 1
136 . 1 . 1 25 25 LEU HD11 H 1 0.879 0.003 . 2 . . . . A 70 LEU HD11 . 34698 1
137 . 1 . 1 25 25 LEU HD12 H 1 0.879 0.003 . 2 . . . . A 70 LEU HD12 . 34698 1
138 . 1 . 1 25 25 LEU HD13 H 1 0.879 0.003 . 2 . . . . A 70 LEU HD13 . 34698 1
139 . 1 . 1 25 25 LEU HD21 H 1 0.982 0 . 2 . . . . A 70 LEU HD21 . 34698 1
140 . 1 . 1 25 25 LEU HD22 H 1 0.982 0 . 2 . . . . A 70 LEU HD22 . 34698 1
141 . 1 . 1 25 25 LEU HD23 H 1 0.982 0 . 2 . . . . A 70 LEU HD23 . 34698 1
142 . 1 . 1 25 25 LEU C C 13 175.96 0.004 . 1 . . . . A 70 LEU C . 34698 1
143 . 1 . 1 25 25 LEU CA C 13 53.503 0.043 . 1 . . . . A 70 LEU CA . 34698 1
144 . 1 . 1 25 25 LEU CB C 13 45.338 0.039 . 1 . . . . A 70 LEU CB . 34698 1
145 . 1 . 1 25 25 LEU CD1 C 13 25.911 0 . 2 . . . . A 70 LEU CD1 . 34698 1
146 . 1 . 1 25 25 LEU CD2 C 13 27.243 0 . 2 . . . . A 70 LEU CD2 . 34698 1
147 . 1 . 1 25 25 LEU N N 15 123.383 0.051 . 1 . . . . A 70 LEU N . 34698 1
148 . 1 . 1 26 26 LYS H H 1 8.52 0.001 . 1 . . . . A 71 LYS H . 34698 1
149 . 1 . 1 26 26 LYS HA H 1 4.374 0.003 . 1 . . . . A 71 LYS HA . 34698 1
150 . 1 . 1 26 26 LYS HG2 H 1 1.44 0.001 . 2 . . . . A 71 LYS HG2 . 34698 1
151 . 1 . 1 26 26 LYS HG3 H 1 1.587 0.003 . 2 . . . . A 71 LYS HG3 . 34698 1
152 . 1 . 1 26 26 LYS C C 13 177.688 0.008 . 1 . . . . A 71 LYS C . 34698 1
153 . 1 . 1 26 26 LYS CA C 13 57.444 0.037 . 1 . . . . A 71 LYS CA . 34698 1
154 . 1 . 1 26 26 LYS CB C 13 32.485 0.079 . 1 . . . . A 71 LYS CB . 34698 1
155 . 1 . 1 26 26 LYS CG C 13 25.311 0.045 . 1 . . . . A 71 LYS CG . 34698 1
156 . 1 . 1 26 26 LYS N N 15 120.851 0.007 . 1 . . . . A 71 LYS N . 34698 1
157 . 1 . 1 27 27 ASN H H 1 8.853 0.003 . 1 . . . . A 72 ASN H . 34698 1
158 . 1 . 1 27 27 ASN HB2 H 1 3.31 0.003 . 2 . . . . A 72 ASN HB2 . 34698 1
159 . 1 . 1 27 27 ASN HB3 H 1 2.373 0.002 . 2 . . . . A 72 ASN HB3 . 34698 1
160 . 1 . 1 27 27 ASN C C 13 173.456 0.014 . 1 . . . . A 72 ASN C . 34698 1
161 . 1 . 1 27 27 ASN CA C 13 52.784 0.07 . 1 . . . . A 72 ASN CA . 34698 1
162 . 1 . 1 27 27 ASN CB C 13 36.934 0.044 . 1 . . . . A 72 ASN CB . 34698 1
163 . 1 . 1 27 27 ASN N N 15 123.004 0.04 . 1 . . . . A 72 ASN N . 34698 1
164 . 1 . 1 28 28 GLU H H 1 7.883 0.003 . 1 . . . . A 73 GLU H . 34698 1
165 . 1 . 1 28 28 GLU HB2 H 1 1.884 0.003 . 2 . . . . A 73 GLU HB2 . 34698 1
166 . 1 . 1 28 28 GLU HB3 H 1 1.968 0.003 . 2 . . . . A 73 GLU HB3 . 34698 1
167 . 1 . 1 28 28 GLU HG2 H 1 2.06 0.002 . 2 . . . . A 73 GLU HG2 . 34698 1
168 . 1 . 1 28 28 GLU HG3 H 1 2.169 0.003 . 2 . . . . A 73 GLU HG3 . 34698 1
169 . 1 . 1 28 28 GLU C C 13 175.081 0.004 . 1 . . . . A 73 GLU C . 34698 1
170 . 1 . 1 28 28 GLU CA C 13 53.744 0.037 . 1 . . . . A 73 GLU CA . 34698 1
171 . 1 . 1 28 28 GLU CB C 13 33.378 0.057 . 1 . . . . A 73 GLU CB . 34698 1
172 . 1 . 1 28 28 GLU CG C 13 35.05 0.042 . 1 . . . . A 73 GLU CG . 34698 1
173 . 1 . 1 28 28 GLU N N 15 122.607 0.037 . 1 . . . . A 73 GLU N . 34698 1
174 . 1 . 1 29 29 VAL H H 1 8.489 0.004 . 1 . . . . A 74 VAL H . 34698 1
175 . 1 . 1 29 29 VAL HA H 1 3.763 0.004 . 1 . . . . A 74 VAL HA . 34698 1
176 . 1 . 1 29 29 VAL HB H 1 1.916 0.004 . 1 . . . . A 74 VAL HB . 34698 1
177 . 1 . 1 29 29 VAL HG11 H 1 0.867 0.001 . 2 . . . . A 74 VAL HG11 . 34698 1
178 . 1 . 1 29 29 VAL HG12 H 1 0.867 0.001 . 2 . . . . A 74 VAL HG12 . 34698 1
179 . 1 . 1 29 29 VAL HG13 H 1 0.867 0.001 . 2 . . . . A 74 VAL HG13 . 34698 1
180 . 1 . 1 29 29 VAL HG21 H 1 0.902 0.001 . 2 . . . . A 74 VAL HG21 . 34698 1
181 . 1 . 1 29 29 VAL HG22 H 1 0.902 0.001 . 2 . . . . A 74 VAL HG22 . 34698 1
182 . 1 . 1 29 29 VAL HG23 H 1 0.902 0.001 . 2 . . . . A 74 VAL HG23 . 34698 1
183 . 1 . 1 29 29 VAL C C 13 178.133 0.012 . 1 . . . . A 74 VAL C . 34698 1
184 . 1 . 1 29 29 VAL CA C 13 64.622 0.057 . 1 . . . . A 74 VAL CA . 34698 1
185 . 1 . 1 29 29 VAL CB C 13 31.741 0.044 . 1 . . . . A 74 VAL CB . 34698 1
186 . 1 . 1 29 29 VAL CG1 C 13 22.228 0 . 2 . . . . A 74 VAL CG1 . 34698 1
187 . 1 . 1 29 29 VAL CG2 C 13 21.56 0 . 2 . . . . A 74 VAL CG2 . 34698 1
188 . 1 . 1 29 29 VAL N N 15 123.351 0.056 . 1 . . . . A 74 VAL N . 34698 1
189 . 1 . 1 30 30 GLY H H 1 8.439 0.004 . 1 . . . . A 75 GLY H . 34698 1
190 . 1 . 1 30 30 GLY HA2 H 1 3.95 0.004 . 2 . . . . A 75 GLY HA2 . 34698 1
191 . 1 . 1 30 30 GLY HA3 H 1 4.236 0.002 . 2 . . . . A 75 GLY HA3 . 34698 1
192 . 1 . 1 30 30 GLY C C 13 174.541 0.031 . 1 . . . . A 75 GLY C . 34698 1
193 . 1 . 1 30 30 GLY CA C 13 45.839 0.027 . 1 . . . . A 75 GLY CA . 34698 1
194 . 1 . 1 30 30 GLY N N 15 115.137 0.047 . 1 . . . . A 75 GLY N . 34698 1
195 . 1 . 1 31 31 GLY H H 1 8.661 0.003 . 1 . . . . A 76 GLY H . 34698 1
196 . 1 . 1 31 31 GLY HA2 H 1 3.934 0.002 . 2 . . . . A 76 GLY HA2 . 34698 1
197 . 1 . 1 31 31 GLY HA3 H 1 4.076 0 . 2 . . . . A 76 GLY HA3 . 34698 1
198 . 1 . 1 31 31 GLY C C 13 176.113 0.003 . 1 . . . . A 76 GLY C . 34698 1
199 . 1 . 1 31 31 GLY CA C 13 48.334 0.031 . 1 . . . . A 76 GLY CA . 34698 1
200 . 1 . 1 31 31 GLY N N 15 109.316 0.037 . 1 . . . . A 76 GLY N . 34698 1
201 . 1 . 1 32 32 LEU H H 1 9.06 0.004 . 1 . . . . A 77 LEU H . 34698 1
202 . 1 . 1 32 32 LEU HA H 1 4.382 0 . 1 . . . . A 77 LEU HA . 34698 1
203 . 1 . 1 32 32 LEU HB2 H 1 2.273 0.003 . 1 . . . . A 77 LEU HB2 . 34698 1
204 . 1 . 1 32 32 LEU HG H 1 1.435 0 . 1 . . . . A 77 LEU HG . 34698 1
205 . 1 . 1 32 32 LEU HD11 H 1 0.887 0.001 . 2 . . . . A 77 LEU HD11 . 34698 1
206 . 1 . 1 32 32 LEU HD12 H 1 0.887 0.001 . 2 . . . . A 77 LEU HD12 . 34698 1
207 . 1 . 1 32 32 LEU HD13 H 1 0.887 0.001 . 2 . . . . A 77 LEU HD13 . 34698 1
208 . 1 . 1 32 32 LEU HD21 H 1 0.958 0.001 . 2 . . . . A 77 LEU HD21 . 34698 1
209 . 1 . 1 32 32 LEU HD22 H 1 0.958 0.001 . 2 . . . . A 77 LEU HD22 . 34698 1
210 . 1 . 1 32 32 LEU HD23 H 1 0.958 0.001 . 2 . . . . A 77 LEU HD23 . 34698 1
211 . 1 . 1 32 32 LEU C C 13 178.929 0.018 . 1 . . . . A 77 LEU C . 34698 1
212 . 1 . 1 32 32 LEU CA C 13 58.123 0.032 . 1 . . . . A 77 LEU CA . 34698 1
213 . 1 . 1 32 32 LEU CB C 13 41.699 0.073 . 1 . . . . A 77 LEU CB . 34698 1
214 . 1 . 1 32 32 LEU CD1 C 13 26.899 0 . 2 . . . . A 77 LEU CD1 . 34698 1
215 . 1 . 1 32 32 LEU CD2 C 13 23.861 0 . 2 . . . . A 77 LEU CD2 . 34698 1
216 . 1 . 1 32 32 LEU N N 15 121.806 0.043 . 1 . . . . A 77 LEU N . 34698 1
217 . 1 . 1 33 33 VAL H H 1 9.783 0.004 . 1 . . . . A 78 VAL H . 34698 1
218 . 1 . 1 33 33 VAL HA H 1 3.52 0.002 . 1 . . . . A 78 VAL HA . 34698 1
219 . 1 . 1 33 33 VAL HB H 1 2.039 0 . 1 . . . . A 78 VAL HB . 34698 1
220 . 1 . 1 33 33 VAL HG11 H 1 1.04 0 . 2 . . . . A 78 VAL HG11 . 34698 1
221 . 1 . 1 33 33 VAL HG12 H 1 1.04 0 . 2 . . . . A 78 VAL HG12 . 34698 1
222 . 1 . 1 33 33 VAL HG13 H 1 1.04 0 . 2 . . . . A 78 VAL HG13 . 34698 1
223 . 1 . 1 33 33 VAL HG21 H 1 0.981 0.001 . 2 . . . . A 78 VAL HG21 . 34698 1
224 . 1 . 1 33 33 VAL HG22 H 1 0.981 0.001 . 2 . . . . A 78 VAL HG22 . 34698 1
225 . 1 . 1 33 33 VAL HG23 H 1 0.981 0.001 . 2 . . . . A 78 VAL HG23 . 34698 1
226 . 1 . 1 33 33 VAL C C 13 176.419 0.001 . 1 . . . . A 78 VAL C . 34698 1
227 . 1 . 1 33 33 VAL CA C 13 67.173 0.029 . 1 . . . . A 78 VAL CA . 34698 1
228 . 1 . 1 33 33 VAL CB C 13 31.43 0.022 . 1 . . . . A 78 VAL CB . 34698 1
229 . 1 . 1 33 33 VAL CG1 C 13 25.395 0 . 2 . . . . A 78 VAL CG1 . 34698 1
230 . 1 . 1 33 33 VAL CG2 C 13 21.081 0 . 2 . . . . A 78 VAL CG2 . 34698 1
231 . 1 . 1 33 33 VAL N N 15 122.433 0.044 . 1 . . . . A 78 VAL N . 34698 1
232 . 1 . 1 34 34 LYS H H 1 7.505 0.003 . 1 . . . . A 79 LYS H . 34698 1
233 . 1 . 1 34 34 LYS HA H 1 3.95 0.004 . 1 . . . . A 79 LYS HA . 34698 1
234 . 1 . 1 34 34 LYS HG2 H 1 1.492 0.002 . 2 . . . . A 79 LYS HG2 . 34698 1
235 . 1 . 1 34 34 LYS HG3 H 1 1.741 0.003 . 2 . . . . A 79 LYS HG3 . 34698 1
236 . 1 . 1 34 34 LYS HE2 H 1 3.009 0 . 1 . . . . A 79 LYS HE2 . 34698 1
237 . 1 . 1 34 34 LYS HE3 H 1 3.009 0 . 1 . . . . A 79 LYS HE3 . 34698 1
238 . 1 . 1 34 34 LYS C C 13 178.8 0.01 . 1 . . . . A 79 LYS C . 34698 1
239 . 1 . 1 34 34 LYS CA C 13 60.301 0.019 . 1 . . . . A 79 LYS CA . 34698 1
240 . 1 . 1 34 34 LYS CB C 13 32.541 0.033 . 1 . . . . A 79 LYS CB . 34698 1
241 . 1 . 1 34 34 LYS CG C 13 25.787 0.025 . 1 . . . . A 79 LYS CG . 34698 1
242 . 1 . 1 34 34 LYS CE C 13 42.226 0.001 . 1 . . . . A 79 LYS CE . 34698 1
243 . 1 . 1 34 34 LYS N N 15 118.723 0.035 . 1 . . . . A 79 LYS N . 34698 1
244 . 1 . 1 35 35 ALA H H 1 7.23 0.004 . 1 . . . . A 80 ALA H . 34698 1
245 . 1 . 1 35 35 ALA HA H 1 4.181 0.001 . 1 . . . . A 80 ALA HA . 34698 1
246 . 1 . 1 35 35 ALA HB1 H 1 1.382 0.002 . 1 . . . . A 80 ALA HB1 . 34698 1
247 . 1 . 1 35 35 ALA HB2 H 1 1.382 0.002 . 1 . . . . A 80 ALA HB2 . 34698 1
248 . 1 . 1 35 35 ALA HB3 H 1 1.382 0.002 . 1 . . . . A 80 ALA HB3 . 34698 1
249 . 1 . 1 35 35 ALA C C 13 179.829 0.006 . 1 . . . . A 80 ALA C . 34698 1
250 . 1 . 1 35 35 ALA CA C 13 54.648 0.062 . 1 . . . . A 80 ALA CA . 34698 1
251 . 1 . 1 35 35 ALA CB C 13 18.788 0.034 . 1 . . . . A 80 ALA CB . 34698 1
252 . 1 . 1 35 35 ALA N N 15 119.448 0.036 . 1 . . . . A 80 ALA N . 34698 1
253 . 1 . 1 36 36 LEU H H 1 8.91 0.003 . 1 . . . . A 81 LEU H . 34698 1
254 . 1 . 1 36 36 LEU HA H 1 4.349 0.004 . 1 . . . . A 81 LEU HA . 34698 1
255 . 1 . 1 36 36 LEU HB2 H 1 1.825 0.004 . 1 . . . . A 81 LEU HB2 . 34698 1
256 . 1 . 1 36 36 LEU HD11 H 1 0.495 0.001 . 2 . . . . A 81 LEU HD11 . 34698 1
257 . 1 . 1 36 36 LEU HD12 H 1 0.495 0.001 . 2 . . . . A 81 LEU HD12 . 34698 1
258 . 1 . 1 36 36 LEU HD13 H 1 0.495 0.001 . 2 . . . . A 81 LEU HD13 . 34698 1
259 . 1 . 1 36 36 LEU HD21 H 1 0.646 0.001 . 2 . . . . A 81 LEU HD21 . 34698 1
260 . 1 . 1 36 36 LEU HD22 H 1 0.646 0.001 . 2 . . . . A 81 LEU HD22 . 34698 1
261 . 1 . 1 36 36 LEU HD23 H 1 0.646 0.001 . 2 . . . . A 81 LEU HD23 . 34698 1
262 . 1 . 1 36 36 LEU C C 13 180.992 0.007 . 1 . . . . A 81 LEU C . 34698 1
263 . 1 . 1 36 36 LEU CA C 13 57.341 0.025 . 1 . . . . A 81 LEU CA . 34698 1
264 . 1 . 1 36 36 LEU CB C 13 40.943 0.031 . 1 . . . . A 81 LEU CB . 34698 1
265 . 1 . 1 36 36 LEU CD1 C 13 21.318 0 . 2 . . . . A 81 LEU CD1 . 34698 1
266 . 1 . 1 36 36 LEU CD2 C 13 26.192 0 . 2 . . . . A 81 LEU CD2 . 34698 1
267 . 1 . 1 36 36 LEU N N 15 114.414 0.031 . 1 . . . . A 81 LEU N . 34698 1
268 . 1 . 1 37 37 ARG H H 1 8.615 0.003 . 1 . . . . A 82 ARG H . 34698 1
269 . 1 . 1 37 37 ARG HA H 1 4.16 0.005 . 1 . . . . A 82 ARG HA . 34698 1
270 . 1 . 1 37 37 ARG HB2 H 1 2.021 0.022 . 2 . . . . A 82 ARG HB2 . 34698 1
271 . 1 . 1 37 37 ARG HB3 H 1 2.027 0 . 2 . . . . A 82 ARG HB3 . 34698 1
272 . 1 . 1 37 37 ARG HG2 H 1 1.804 0.003 . 2 . . . . A 82 ARG HG2 . 34698 1
273 . 1 . 1 37 37 ARG HG3 H 1 1.875 0.006 . 2 . . . . A 82 ARG HG3 . 34698 1
274 . 1 . 1 37 37 ARG HD2 H 1 3.216 0.001 . 2 . . . . A 82 ARG HD2 . 34698 1
275 . 1 . 1 37 37 ARG HD3 H 1 3.255 0.002 . 2 . . . . A 82 ARG HD3 . 34698 1
276 . 1 . 1 37 37 ARG C C 13 178.152 0.01 . 1 . . . . A 82 ARG C . 34698 1
277 . 1 . 1 37 37 ARG CA C 13 59.737 0.029 . 1 . . . . A 82 ARG CA . 34698 1
278 . 1 . 1 37 37 ARG CB C 13 29.77 0.032 . 1 . . . . A 82 ARG CB . 34698 1
279 . 1 . 1 37 37 ARG CG C 13 27.766 0.028 . 1 . . . . A 82 ARG CG . 34698 1
280 . 1 . 1 37 37 ARG CD C 13 43.465 0.026 . 1 . . . . A 82 ARG CD . 34698 1
281 . 1 . 1 37 37 ARG N N 15 122.462 0.041 . 1 . . . . A 82 ARG N . 34698 1
282 . 1 . 1 38 38 LEU H H 1 7.545 0.003 . 1 . . . . A 83 LEU H . 34698 1
283 . 1 . 1 38 38 LEU HA H 1 4.084 0.006 . 1 . . . . A 83 LEU HA . 34698 1
284 . 1 . 1 38 38 LEU HB2 H 1 1.972 0.004 . 2 . . . . A 83 LEU HB2 . 34698 1
285 . 1 . 1 38 38 LEU HB3 H 1 1.214 0.002 . 2 . . . . A 83 LEU HB3 . 34698 1
286 . 1 . 1 38 38 LEU HD11 H 1 0.828 0.001 . 2 . . . . A 83 LEU HD11 . 34698 1
287 . 1 . 1 38 38 LEU HD12 H 1 0.828 0.001 . 2 . . . . A 83 LEU HD12 . 34698 1
288 . 1 . 1 38 38 LEU HD13 H 1 0.828 0.001 . 2 . . . . A 83 LEU HD13 . 34698 1
289 . 1 . 1 38 38 LEU HD21 H 1 0.846 0.002 . 2 . . . . A 83 LEU HD21 . 34698 1
290 . 1 . 1 38 38 LEU HD22 H 1 0.846 0.002 . 2 . . . . A 83 LEU HD22 . 34698 1
291 . 1 . 1 38 38 LEU HD23 H 1 0.846 0.002 . 2 . . . . A 83 LEU HD23 . 34698 1
292 . 1 . 1 38 38 LEU C C 13 178.72 0.021 . 1 . . . . A 83 LEU C . 34698 1
293 . 1 . 1 38 38 LEU CA C 13 57.812 0.068 . 1 . . . . A 83 LEU CA . 34698 1
294 . 1 . 1 38 38 LEU CB C 13 41.352 0.056 . 1 . . . . A 83 LEU CB . 34698 1
295 . 1 . 1 38 38 LEU CD1 C 13 25.153 0 . 2 . . . . A 83 LEU CD1 . 34698 1
296 . 1 . 1 38 38 LEU CD2 C 13 22.877 0 . 2 . . . . A 83 LEU CD2 . 34698 1
297 . 1 . 1 38 38 LEU N N 15 118.54 0.052 . 1 . . . . A 83 LEU N . 34698 1
298 . 1 . 1 39 39 PHE H H 1 7.414 0.003 . 1 . . . . A 84 PHE H . 34698 1
299 . 1 . 1 39 39 PHE HA H 1 3.934 0.002 . 1 . . . . A 84 PHE HA . 34698 1
300 . 1 . 1 39 39 PHE HB2 H 1 3.102 0 . 2 . . . . A 84 PHE HB2 . 34698 1
301 . 1 . 1 39 39 PHE HB3 H 1 3.127 0 . 2 . . . . A 84 PHE HB3 . 34698 1
302 . 1 . 1 39 39 PHE C C 13 177.536 0.002 . 1 . . . . A 84 PHE C . 34698 1
303 . 1 . 1 39 39 PHE CA C 13 61.475 0.023 . 1 . . . . A 84 PHE CA . 34698 1
304 . 1 . 1 39 39 PHE CB C 13 38.072 0.087 . 1 . . . . A 84 PHE CB . 34698 1
305 . 1 . 1 39 39 PHE N N 15 116.582 0.062 . 1 . . . . A 84 PHE N . 34698 1
306 . 1 . 1 40 40 GLN H H 1 7.484 0.001 . 1 . . . . A 85 GLN H . 34698 1
307 . 1 . 1 40 40 GLN HA H 1 3.888 0.003 . 1 . . . . A 85 GLN HA . 34698 1
308 . 1 . 1 40 40 GLN HB2 H 1 2.313 0.002 . 2 . . . . A 85 GLN HB2 . 34698 1
309 . 1 . 1 40 40 GLN HB3 H 1 2.542 0.002 . 2 . . . . A 85 GLN HB3 . 34698 1
310 . 1 . 1 40 40 GLN HG2 H 1 2.312 0.002 . 1 . . . . A 85 GLN HG2 . 34698 1
311 . 1 . 1 40 40 GLN C C 13 179.462 0.005 . 1 . . . . A 85 GLN C . 34698 1
312 . 1 . 1 40 40 GLN CA C 13 59.566 0.043 . 1 . . . . A 85 GLN CA . 34698 1
313 . 1 . 1 40 40 GLN CB C 13 27.839 0.056 . 1 . . . . A 85 GLN CB . 34698 1
314 . 1 . 1 40 40 GLN CG C 13 33.363 0.025 . 1 . . . . A 85 GLN CG . 34698 1
315 . 1 . 1 40 40 GLN N N 15 118.917 0.059 . 1 . . . . A 85 GLN N . 34698 1
316 . 1 . 1 41 41 GLU H H 1 8.395 0.001 . 1 . . . . A 86 GLU H . 34698 1
317 . 1 . 1 41 41 GLU HA H 1 4.011 0.003 . 1 . . . . A 86 GLU HA . 34698 1
318 . 1 . 1 41 41 GLU HB2 H 1 2.089 0.003 . 2 . . . . A 86 GLU HB2 . 34698 1
319 . 1 . 1 41 41 GLU HB3 H 1 2.184 0.005 . 2 . . . . A 86 GLU HB3 . 34698 1
320 . 1 . 1 41 41 GLU HG2 H 1 2.397 0.002 . 2 . . . . A 86 GLU HG2 . 34698 1
321 . 1 . 1 41 41 GLU HG3 H 1 2.265 0.003 . 2 . . . . A 86 GLU HG3 . 34698 1
322 . 1 . 1 41 41 GLU C C 13 178.281 0.01 . 1 . . . . A 86 GLU C . 34698 1
323 . 1 . 1 41 41 GLU CA C 13 59.429 0.039 . 1 . . . . A 86 GLU CA . 34698 1
324 . 1 . 1 41 41 GLU CB C 13 29.566 0.046 . 1 . . . . A 86 GLU CB . 34698 1
325 . 1 . 1 41 41 GLU CG C 13 36.269 0.025 . 1 . . . . A 86 GLU CG . 34698 1
326 . 1 . 1 41 41 GLU N N 15 121.428 0.009 . 1 . . . . A 86 GLU N . 34698 1
327 . 1 . 1 42 42 LYS H H 1 7.33 0.003 . 1 . . . . A 87 LYS H . 34698 1
328 . 1 . 1 42 42 LYS HA H 1 4.387 0.001 . 1 . . . . A 87 LYS HA . 34698 1
329 . 1 . 1 42 42 LYS HB2 H 1 1.655 0.004 . 1 . . . . A 87 LYS HB2 . 34698 1
330 . 1 . 1 42 42 LYS HB3 H 1 1.655 0.004 . 1 . . . . A 87 LYS HB3 . 34698 1
331 . 1 . 1 42 42 LYS HG2 H 1 1.191 0.001 . 1 . . . . A 87 LYS HG2 . 34698 1
332 . 1 . 1 42 42 LYS HG3 H 1 1.191 0.001 . 1 . . . . A 87 LYS HG3 . 34698 1
333 . 1 . 1 42 42 LYS HD2 H 1 1.578 0 . 1 . . . . A 87 LYS HD2 . 34698 1
334 . 1 . 1 42 42 LYS HD3 H 1 1.578 0 . 1 . . . . A 87 LYS HD3 . 34698 1
335 . 1 . 1 42 42 LYS HE2 H 1 2.78 0 . 1 . . . . A 87 LYS HE2 . 34698 1
336 . 1 . 1 42 42 LYS HE3 H 1 2.78 0 . 1 . . . . A 87 LYS HE3 . 34698 1
337 . 1 . 1 42 42 LYS C C 13 174.096 0.01 . 1 . . . . A 87 LYS C . 34698 1
338 . 1 . 1 42 42 LYS CA C 13 53.501 0.05 . 1 . . . . A 87 LYS CA . 34698 1
339 . 1 . 1 42 42 LYS CB C 13 31.02 0.049 . 1 . . . . A 87 LYS CB . 34698 1
340 . 1 . 1 42 42 LYS CG C 13 24.272 0.015 . 1 . . . . A 87 LYS CG . 34698 1
341 . 1 . 1 42 42 LYS CD C 13 27.267 0 . 1 . . . . A 87 LYS CD . 34698 1
342 . 1 . 1 42 42 LYS CE C 13 42.286 0 . 1 . . . . A 87 LYS CE . 34698 1
343 . 1 . 1 42 42 LYS N N 15 114.293 0.048 . 1 . . . . A 87 LYS N . 34698 1
344 . 1 . 1 43 43 ARG H H 1 7.896 0.003 . 1 . . . . A 88 ARG H . 34698 1
345 . 1 . 1 43 43 ARG HA H 1 3.621 0.004 . 1 . . . . A 88 ARG HA . 34698 1
346 . 1 . 1 43 43 ARG HB2 H 1 2.008 0.003 . 2 . . . . A 88 ARG HB2 . 34698 1
347 . 1 . 1 43 43 ARG HB3 H 1 2.181 0.004 . 2 . . . . A 88 ARG HB3 . 34698 1
348 . 1 . 1 43 43 ARG HG2 H 1 1.619 0.003 . 2 . . . . A 88 ARG HG2 . 34698 1
349 . 1 . 1 43 43 ARG HG3 H 1 1.617 0.002 . 2 . . . . A 88 ARG HG3 . 34698 1
350 . 1 . 1 43 43 ARG HD2 H 1 3.275 0.001 . 1 . . . . A 88 ARG HD2 . 34698 1
351 . 1 . 1 43 43 ARG HD3 H 1 3.276 0.001 . 1 . . . . A 88 ARG HD3 . 34698 1
352 . 1 . 1 43 43 ARG C C 13 174.555 0.009 . 1 . . . . A 88 ARG C . 34698 1
353 . 1 . 1 43 43 ARG CA C 13 56.991 0.05 . 1 . . . . A 88 ARG CA . 34698 1
354 . 1 . 1 43 43 ARG CB C 13 26.279 0.042 . 1 . . . . A 88 ARG CB . 34698 1
355 . 1 . 1 43 43 ARG CG C 13 27.317 0.044 . 1 . . . . A 88 ARG CG . 34698 1
356 . 1 . 1 43 43 ARG CD C 13 43.182 0.034 . 1 . . . . A 88 ARG CD . 34698 1
357 . 1 . 1 43 43 ARG N N 15 115.483 0.044 . 1 . . . . A 88 ARG N . 34698 1
358 . 1 . 1 44 44 VAL H H 1 8.479 0.004 . 1 . . . . A 89 VAL H . 34698 1
359 . 1 . 1 44 44 VAL HA H 1 4.029 0.003 . 1 . . . . A 89 VAL HA . 34698 1
360 . 1 . 1 44 44 VAL HB H 1 2.066 0.003 . 1 . . . . A 89 VAL HB . 34698 1
361 . 1 . 1 44 44 VAL HG11 H 1 0.975 0.002 . 2 . . . . A 89 VAL HG11 . 34698 1
362 . 1 . 1 44 44 VAL HG12 H 1 0.975 0.002 . 2 . . . . A 89 VAL HG12 . 34698 1
363 . 1 . 1 44 44 VAL HG13 H 1 0.975 0.002 . 2 . . . . A 89 VAL HG13 . 34698 1
364 . 1 . 1 44 44 VAL HG21 H 1 0.878 0.003 . 2 . . . . A 89 VAL HG21 . 34698 1
365 . 1 . 1 44 44 VAL HG22 H 1 0.878 0.003 . 2 . . . . A 89 VAL HG22 . 34698 1
366 . 1 . 1 44 44 VAL HG23 H 1 0.878 0.003 . 2 . . . . A 89 VAL HG23 . 34698 1
367 . 1 . 1 44 44 VAL C C 13 174.315 0.007 . 1 . . . . A 89 VAL C . 34698 1
368 . 1 . 1 44 44 VAL CA C 13 62.713 0.032 . 1 . . . . A 89 VAL CA . 34698 1
369 . 1 . 1 44 44 VAL CB C 13 32.937 0.045 . 1 . . . . A 89 VAL CB . 34698 1
370 . 1 . 1 44 44 VAL CG1 C 13 22.541 0 . 2 . . . . A 89 VAL CG1 . 34698 1
371 . 1 . 1 44 44 VAL CG2 C 13 21.442 0 . 2 . . . . A 89 VAL CG2 . 34698 1
372 . 1 . 1 44 44 VAL N N 15 119.909 0.03 . 1 . . . . A 89 VAL N . 34698 1
373 . 1 . 1 45 45 ASN H H 1 8.488 0.003 . 1 . . . . A 90 ASN H . 34698 1
374 . 1 . 1 45 45 ASN HA H 1 4.683 0.003 . 1 . . . . A 90 ASN HA . 34698 1
375 . 1 . 1 45 45 ASN HB2 H 1 2.629 0.004 . 2 . . . . A 90 ASN HB2 . 34698 1
376 . 1 . 1 45 45 ASN HB3 H 1 2.931 0.004 . 2 . . . . A 90 ASN HB3 . 34698 1
377 . 1 . 1 45 45 ASN C C 13 174.651 0.021 . 1 . . . . A 90 ASN C . 34698 1
378 . 1 . 1 45 45 ASN CA C 13 53.063 0.022 . 1 . . . . A 90 ASN CA . 34698 1
379 . 1 . 1 45 45 ASN CB C 13 40.002 0.049 . 1 . . . . A 90 ASN CB . 34698 1
380 . 1 . 1 45 45 ASN N N 15 127.262 0.035 . 1 . . . . A 90 ASN N . 34698 1
381 . 1 . 1 46 46 MET H H 1 8.329 0.002 . 1 . . . . A 91 MET H . 34698 1
382 . 1 . 1 46 46 MET HE1 H 1 2.189 0.001 . 1 . . . . A 91 MET HE1 . 34698 1
383 . 1 . 1 46 46 MET HE2 H 1 2.189 0.001 . 1 . . . . A 91 MET HE2 . 34698 1
384 . 1 . 1 46 46 MET HE3 H 1 2.189 0.001 . 1 . . . . A 91 MET HE3 . 34698 1
385 . 1 . 1 46 46 MET C C 13 175.09 0.012 . 1 . . . . A 91 MET C . 34698 1
386 . 1 . 1 46 46 MET CA C 13 56.367 0 . 1 . . . . A 91 MET CA . 34698 1
387 . 1 . 1 46 46 MET CE C 13 18.96 0.019 . 1 . . . . A 91 MET CE . 34698 1
388 . 1 . 1 46 46 MET N N 15 125.003 0.009 . 1 . . . . A 91 MET N . 34698 1
389 . 1 . 1 47 47 VAL H H 1 8.849 0.003 . 1 . . . . A 92 VAL H . 34698 1
390 . 1 . 1 47 47 VAL HA H 1 4.26 0.004 . 1 . . . . A 92 VAL HA . 34698 1
391 . 1 . 1 47 47 VAL HB H 1 2.056 0.004 . 1 . . . . A 92 VAL HB . 34698 1
392 . 1 . 1 47 47 VAL HG11 H 1 0.753 0 . 2 . . . . A 92 VAL HG11 . 34698 1
393 . 1 . 1 47 47 VAL HG12 H 1 0.753 0 . 2 . . . . A 92 VAL HG12 . 34698 1
394 . 1 . 1 47 47 VAL HG13 H 1 0.753 0 . 2 . . . . A 92 VAL HG13 . 34698 1
395 . 1 . 1 47 47 VAL HG21 H 1 0.613 0.001 . 2 . . . . A 92 VAL HG21 . 34698 1
396 . 1 . 1 47 47 VAL HG22 H 1 0.613 0.001 . 2 . . . . A 92 VAL HG22 . 34698 1
397 . 1 . 1 47 47 VAL HG23 H 1 0.613 0.001 . 2 . . . . A 92 VAL HG23 . 34698 1
398 . 1 . 1 47 47 VAL C C 13 176.212 0.014 . 1 . . . . A 92 VAL C . 34698 1
399 . 1 . 1 47 47 VAL CA C 13 61.409 0.123 . 1 . . . . A 92 VAL CA . 34698 1
400 . 1 . 1 47 47 VAL CB C 13 33.213 0.034 . 1 . . . . A 92 VAL CB . 34698 1
401 . 1 . 1 47 47 VAL CG1 C 13 21.91 0 . 2 . . . . A 92 VAL CG1 . 34698 1
402 . 1 . 1 47 47 VAL CG2 C 13 19.769 0 . 2 . . . . A 92 VAL CG2 . 34698 1
403 . 1 . 1 47 47 VAL N N 15 113.766 0.044 . 1 . . . . A 92 VAL N . 34698 1
404 . 1 . 1 48 48 HIS H H 1 7.502 0.004 . 1 . . . . A 93 HIS H . 34698 1
405 . 1 . 1 48 48 HIS HA H 1 5.03 0.004 . 1 . . . . A 93 HIS HA . 34698 1
406 . 1 . 1 48 48 HIS HB2 H 1 2.868 0.004 . 2 . . . . A 93 HIS HB2 . 34698 1
407 . 1 . 1 48 48 HIS HB3 H 1 3.361 0.004 . 2 . . . . A 93 HIS HB3 . 34698 1
408 . 1 . 1 48 48 HIS HD2 H 1 6.918 0 . 1 . . . . A 93 HIS HD2 . 34698 1
409 . 1 . 1 48 48 HIS HE1 H 1 8.261 0 . 1 . . . . A 93 HIS HE1 . 34698 1
410 . 1 . 1 48 48 HIS C C 13 172.097 0.01 . 1 . . . . A 93 HIS C . 34698 1
411 . 1 . 1 48 48 HIS CA C 13 57.12 0.068 . 1 . . . . A 93 HIS CA . 34698 1
412 . 1 . 1 48 48 HIS CB C 13 34.867 0.067 . 1 . . . . A 93 HIS CB . 34698 1
413 . 1 . 1 48 48 HIS CD2 C 13 117.523 0 . 1 . . . . A 93 HIS CD2 . 34698 1
414 . 1 . 1 48 48 HIS CE1 C 13 139.9 0 . 1 . . . . A 93 HIS CE1 . 34698 1
415 . 1 . 1 48 48 HIS N N 15 119.453 0.102 . 1 . . . . A 93 HIS N . 34698 1
416 . 1 . 1 49 49 ILE H H 1 8.135 0.004 . 1 . . . . A 94 ILE H . 34698 1
417 . 1 . 1 49 49 ILE HA H 1 5.633 0.003 . 1 . . . . A 94 ILE HA . 34698 1
418 . 1 . 1 49 49 ILE HG12 H 1 1.71 0.001 . 1 . . . . A 94 ILE HG12 . 34698 1
419 . 1 . 1 49 49 ILE HG13 H 1 1.71 0.001 . 1 . . . . A 94 ILE HG13 . 34698 1
420 . 1 . 1 49 49 ILE HG21 H 1 0.691 0.001 . 1 . . . . A 94 ILE HG21 . 34698 1
421 . 1 . 1 49 49 ILE HG22 H 1 0.691 0.001 . 1 . . . . A 94 ILE HG22 . 34698 1
422 . 1 . 1 49 49 ILE HG23 H 1 0.691 0.001 . 1 . . . . A 94 ILE HG23 . 34698 1
423 . 1 . 1 49 49 ILE HD11 H 1 0.739 0.001 . 1 . . . . A 94 ILE HD11 . 34698 1
424 . 1 . 1 49 49 ILE HD12 H 1 0.739 0.001 . 1 . . . . A 94 ILE HD12 . 34698 1
425 . 1 . 1 49 49 ILE HD13 H 1 0.739 0.001 . 1 . . . . A 94 ILE HD13 . 34698 1
426 . 1 . 1 49 49 ILE C C 13 171.965 0.004 . 1 . . . . A 94 ILE C . 34698 1
427 . 1 . 1 49 49 ILE CA C 13 58.652 0.06 . 1 . . . . A 94 ILE CA . 34698 1
428 . 1 . 1 49 49 ILE CB C 13 42.304 0.11 . 1 . . . . A 94 ILE CB . 34698 1
429 . 1 . 1 49 49 ILE CG1 C 13 29.477 0.02 . 1 . . . . A 94 ILE CG1 . 34698 1
430 . 1 . 1 49 49 ILE CG2 C 13 15.179 0.022 . 1 . . . . A 94 ILE CG2 . 34698 1
431 . 1 . 1 49 49 ILE CD1 C 13 15.414 0.022 . 1 . . . . A 94 ILE CD1 . 34698 1
432 . 1 . 1 49 49 ILE N N 15 125.67 0.042 . 1 . . . . A 94 ILE N . 34698 1
433 . 1 . 1 50 50 GLU H H 1 8.514 0.005 . 1 . . . . A 95 GLU H . 34698 1
434 . 1 . 1 50 50 GLU HA H 1 5.288 0.002 . 1 . . . . A 95 GLU HA . 34698 1
435 . 1 . 1 50 50 GLU HB2 H 1 2.537 0.004 . 2 . . . . A 95 GLU HB2 . 34698 1
436 . 1 . 1 50 50 GLU HB3 H 1 2.482 0.003 . 2 . . . . A 95 GLU HB3 . 34698 1
437 . 1 . 1 50 50 GLU HG2 H 1 2.55 0.004 . 2 . . . . A 95 GLU HG2 . 34698 1
438 . 1 . 1 50 50 GLU HG3 H 1 2.618 0.005 . 2 . . . . A 95 GLU HG3 . 34698 1
439 . 1 . 1 50 50 GLU C C 13 174.27 0.011 . 1 . . . . A 95 GLU C . 34698 1
440 . 1 . 1 50 50 GLU CA C 13 56.279 0.042 . 1 . . . . A 95 GLU CA . 34698 1
441 . 1 . 1 50 50 GLU CB C 13 34.38 0.078 . 1 . . . . A 95 GLU CB . 34698 1
442 . 1 . 1 50 50 GLU CG C 13 36.953 0.018 . 1 . . . . A 95 GLU CG . 34698 1
443 . 1 . 1 50 50 GLU N N 15 120.076 0.011 . 1 . . . . A 95 GLU N . 34698 1
444 . 1 . 1 51 51 SER H H 1 8.247 0.003 . 1 . . . . A 96 SER H . 34698 1
445 . 1 . 1 51 51 SER HA H 1 5.563 0 . 1 . . . . A 96 SER HA . 34698 1
446 . 1 . 1 51 51 SER HB2 H 1 3.796 0 . 2 . . . . A 96 SER HB2 . 34698 1
447 . 1 . 1 51 51 SER HB3 H 1 3.831 0 . 2 . . . . A 96 SER HB3 . 34698 1
448 . 1 . 1 51 51 SER C C 13 174.134 0.004 . 1 . . . . A 96 SER C . 34698 1
449 . 1 . 1 51 51 SER CA C 13 55.878 0.051 . 1 . . . . A 96 SER CA . 34698 1
450 . 1 . 1 51 51 SER CB C 13 68.162 0.006 . 1 . . . . A 96 SER CB . 34698 1
451 . 1 . 1 51 51 SER N N 15 115.668 0.01 . 1 . . . . A 96 SER N . 34698 1
452 . 1 . 1 53 53 LYS H H 1 8.677 0.001 . 1 . . . . A 98 LYS H . 34698 1
453 . 1 . 1 53 53 LYS HA H 1 4.196 0.005 . 1 . . . . A 98 LYS HA . 34698 1
454 . 1 . 1 53 53 LYS HB2 H 1 1.759 0.003 . 1 . . . . A 98 LYS HB2 . 34698 1
455 . 1 . 1 53 53 LYS HB3 H 1 1.759 0.003 . 1 . . . . A 98 LYS HB3 . 34698 1
456 . 1 . 1 53 53 LYS HG2 H 1 1.38 0.002 . 2 . . . . A 98 LYS HG2 . 34698 1
457 . 1 . 1 53 53 LYS HG3 H 1 1.524 0.002 . 2 . . . . A 98 LYS HG3 . 34698 1
458 . 1 . 1 53 53 LYS HD2 H 1 1.641 0.002 . 1 . . . . A 98 LYS HD2 . 34698 1
459 . 1 . 1 53 53 LYS HD3 H 1 1.641 0.002 . 1 . . . . A 98 LYS HD3 . 34698 1
460 . 1 . 1 53 53 LYS HE2 H 1 2.917 0.002 . 1 . . . . A 98 LYS HE2 . 34698 1
461 . 1 . 1 53 53 LYS HE3 H 1 2.917 0.002 . 1 . . . . A 98 LYS HE3 . 34698 1
462 . 1 . 1 53 53 LYS C C 13 176.75 0.019 . 1 . . . . A 98 LYS C . 34698 1
463 . 1 . 1 53 53 LYS CA C 13 58.087 0.055 . 1 . . . . A 98 LYS CA . 34698 1
464 . 1 . 1 53 53 LYS CB C 13 32.43 0.028 . 1 . . . . A 98 LYS CB . 34698 1
465 . 1 . 1 53 53 LYS CG C 13 25.22 0.019 . 1 . . . . A 98 LYS CG . 34698 1
466 . 1 . 1 53 53 LYS CD C 13 29.271 0.042 . 1 . . . . A 98 LYS CD . 34698 1
467 . 1 . 1 53 53 LYS CE C 13 41.96 0.028 . 1 . . . . A 98 LYS CE . 34698 1
468 . 1 . 1 53 53 LYS N N 15 127.051 0.04 . 1 . . . . A 98 LYS N . 34698 1
469 . 1 . 1 54 54 SER H H 1 8.085 0.003 . 1 . . . . A 99 SER H . 34698 1
470 . 1 . 1 54 54 SER CA C 13 56.705 0 . 1 . . . . A 99 SER CA . 34698 1
471 . 1 . 1 54 54 SER CB C 13 63.961 0 . 1 . . . . A 99 SER CB . 34698 1
472 . 1 . 1 54 54 SER N N 15 116.593 0.073 . 1 . . . . A 99 SER N . 34698 1
473 . 1 . 1 59 59 SER HA H 1 4.526 0.004 . 1 . . . . A 104 SER HA . 34698 1
474 . 1 . 1 59 59 SER HB2 H 1 4.017 0.003 . 2 . . . . A 104 SER HB2 . 34698 1
475 . 1 . 1 59 59 SER HB3 H 1 4.135 0.003 . 2 . . . . A 104 SER HB3 . 34698 1
476 . 1 . 1 59 59 SER C C 13 174.299 0.016 . 1 . . . . A 104 SER C . 34698 1
477 . 1 . 1 59 59 SER CA C 13 59.502 0.027 . 1 . . . . A 104 SER CA . 34698 1
478 . 1 . 1 59 59 SER CB C 13 63.439 0.07 . 1 . . . . A 104 SER CB . 34698 1
479 . 1 . 1 60 60 GLU H H 1 7.911 0.002 . 1 . . . . A 105 GLU H . 34698 1
480 . 1 . 1 60 60 GLU HA H 1 5.166 0.003 . 1 . . . . A 105 GLU HA . 34698 1
481 . 1 . 1 60 60 GLU HB2 H 1 1.796 0 . 1 . . . . A 105 GLU HB2 . 34698 1
482 . 1 . 1 60 60 GLU HB3 H 1 1.796 0 . 1 . . . . A 105 GLU HB3 . 34698 1
483 . 1 . 1 60 60 GLU HG2 H 1 2.023 0.006 . 2 . . . . A 105 GLU HG2 . 34698 1
484 . 1 . 1 60 60 GLU HG3 H 1 2.19 0.003 . 2 . . . . A 105 GLU HG3 . 34698 1
485 . 1 . 1 60 60 GLU C C 13 175.334 0.012 . 1 . . . . A 105 GLU C . 34698 1
486 . 1 . 1 60 60 GLU CA C 13 55.478 0.068 . 1 . . . . A 105 GLU CA . 34698 1
487 . 1 . 1 60 60 GLU CB C 13 32.86 0.032 . 1 . . . . A 105 GLU CB . 34698 1
488 . 1 . 1 60 60 GLU CG C 13 36.781 0.029 . 1 . . . . A 105 GLU CG . 34698 1
489 . 1 . 1 60 60 GLU N N 15 120.314 0.034 . 1 . . . . A 105 GLU N . 34698 1
490 . 1 . 1 61 61 VAL H H 1 8.944 0.003 . 1 . . . . A 106 VAL H . 34698 1
491 . 1 . 1 61 61 VAL HA H 1 4.518 0.003 . 1 . . . . A 106 VAL HA . 34698 1
492 . 1 . 1 61 61 VAL HB H 1 1.833 0.005 . 1 . . . . A 106 VAL HB . 34698 1
493 . 1 . 1 61 61 VAL HG11 H 1 0.888 0.006 . 2 . . . . A 106 VAL HG11 . 34698 1
494 . 1 . 1 61 61 VAL HG12 H 1 0.888 0.006 . 2 . . . . A 106 VAL HG12 . 34698 1
495 . 1 . 1 61 61 VAL HG13 H 1 0.888 0.006 . 2 . . . . A 106 VAL HG13 . 34698 1
496 . 1 . 1 61 61 VAL HG21 H 1 0.856 0.001 . 2 . . . . A 106 VAL HG21 . 34698 1
497 . 1 . 1 61 61 VAL HG22 H 1 0.856 0.001 . 2 . . . . A 106 VAL HG22 . 34698 1
498 . 1 . 1 61 61 VAL HG23 H 1 0.856 0.001 . 2 . . . . A 106 VAL HG23 . 34698 1
499 . 1 . 1 61 61 VAL C C 13 173.237 0.01 . 1 . . . . A 106 VAL C . 34698 1
500 . 1 . 1 61 61 VAL CA C 13 60.358 0.061 . 1 . . . . A 106 VAL CA . 34698 1
501 . 1 . 1 61 61 VAL CB C 13 35.49 0.038 . 1 . . . . A 106 VAL CB . 34698 1
502 . 1 . 1 61 61 VAL CG1 C 13 20.907 0.029 . 2 . . . . A 106 VAL CG1 . 34698 1
503 . 1 . 1 61 61 VAL CG2 C 13 20.79 0.034 . 2 . . . . A 106 VAL CG2 . 34698 1
504 . 1 . 1 61 61 VAL N N 15 119.895 0.03 . 1 . . . . A 106 VAL N . 34698 1
505 . 1 . 1 62 62 GLU H H 1 8.427 0.001 . 1 . . . . A 107 GLU H . 34698 1
506 . 1 . 1 62 62 GLU HA H 1 4.942 0.002 . 1 . . . . A 107 GLU HA . 34698 1
507 . 1 . 1 62 62 GLU HG2 H 1 2.021 0.002 . 2 . . . . A 107 GLU HG2 . 34698 1
508 . 1 . 1 62 62 GLU HG3 H 1 2.252 0.001 . 2 . . . . A 107 GLU HG3 . 34698 1
509 . 1 . 1 62 62 GLU C C 13 174.27 0 . 1 . . . . A 107 GLU C . 34698 1
510 . 1 . 1 62 62 GLU CA C 13 55.264 0.043 . 1 . . . . A 107 GLU CA . 34698 1
511 . 1 . 1 62 62 GLU CB C 13 32.148 0.005 . 1 . . . . A 107 GLU CB . 34698 1
512 . 1 . 1 62 62 GLU CG C 13 37.537 0.028 . 1 . . . . A 107 GLU CG . 34698 1
513 . 1 . 1 62 62 GLU N N 15 123.498 0.019 . 1 . . . . A 107 GLU N . 34698 1
514 . 1 . 1 63 63 ILE H H 1 9.069 0.002 . 1 . . . . A 108 ILE H . 34698 1
515 . 1 . 1 63 63 ILE HA H 1 4.444 0.004 . 1 . . . . A 108 ILE HA . 34698 1
516 . 1 . 1 63 63 ILE HB H 1 0.603 0.005 . 1 . . . . A 108 ILE HB . 34698 1
517 . 1 . 1 63 63 ILE HG12 H 1 0.734 0.004 . 1 . . . . A 108 ILE HG12 . 34698 1
518 . 1 . 1 63 63 ILE HG21 H 1 0.316 0.001 . 1 . . . . A 108 ILE HG21 . 34698 1
519 . 1 . 1 63 63 ILE HG22 H 1 0.316 0.001 . 1 . . . . A 108 ILE HG22 . 34698 1
520 . 1 . 1 63 63 ILE HG23 H 1 0.316 0.001 . 1 . . . . A 108 ILE HG23 . 34698 1
521 . 1 . 1 63 63 ILE HD11 H 1 -0.106 0.001 . 1 . . . . A 108 ILE HD11 . 34698 1
522 . 1 . 1 63 63 ILE HD12 H 1 -0.106 0.001 . 1 . . . . A 108 ILE HD12 . 34698 1
523 . 1 . 1 63 63 ILE HD13 H 1 -0.106 0.001 . 1 . . . . A 108 ILE HD13 . 34698 1
524 . 1 . 1 63 63 ILE C C 13 173.469 0.023 . 1 . . . . A 108 ILE C . 34698 1
525 . 1 . 1 63 63 ILE CA C 13 57.546 0.045 . 1 . . . . A 108 ILE CA . 34698 1
526 . 1 . 1 63 63 ILE CB C 13 37.566 0.047 . 1 . . . . A 108 ILE CB . 34698 1
527 . 1 . 1 63 63 ILE CG1 C 13 25.765 0.046 . 1 . . . . A 108 ILE CG1 . 34698 1
528 . 1 . 1 63 63 ILE CG2 C 13 17.36 0.03 . 1 . . . . A 108 ILE CG2 . 34698 1
529 . 1 . 1 63 63 ILE CD1 C 13 9.263 0.035 . 1 . . . . A 108 ILE CD1 . 34698 1
530 . 1 . 1 63 63 ILE N N 15 122.415 0.014 . 1 . . . . A 108 ILE N . 34698 1
531 . 1 . 1 64 64 PHE H H 1 9.021 0.003 . 1 . . . . A 109 PHE H . 34698 1
532 . 1 . 1 64 64 PHE HA H 1 5.319 0 . 1 . . . . A 109 PHE HA . 34698 1
533 . 1 . 1 64 64 PHE C C 13 174.049 0.018 . 1 . . . . A 109 PHE C . 34698 1
534 . 1 . 1 64 64 PHE CA C 13 55.356 0.053 . 1 . . . . A 109 PHE CA . 34698 1
535 . 1 . 1 64 64 PHE CB C 13 42.063 0 . 1 . . . . A 109 PHE CB . 34698 1
536 . 1 . 1 64 64 PHE N N 15 126.419 0.017 . 1 . . . . A 109 PHE N . 34698 1
537 . 1 . 1 65 65 VAL H H 1 8.454 0.005 . 1 . . . . A 110 VAL H . 34698 1
538 . 1 . 1 65 65 VAL HA H 1 4.617 0.006 . 1 . . . . A 110 VAL HA . 34698 1
539 . 1 . 1 65 65 VAL HB H 1 1.774 0.004 . 1 . . . . A 110 VAL HB . 34698 1
540 . 1 . 1 65 65 VAL HG11 H 1 0.719 0.002 . 2 . . . . A 110 VAL HG11 . 34698 1
541 . 1 . 1 65 65 VAL HG12 H 1 0.719 0.002 . 2 . . . . A 110 VAL HG12 . 34698 1
542 . 1 . 1 65 65 VAL HG13 H 1 0.719 0.002 . 2 . . . . A 110 VAL HG13 . 34698 1
543 . 1 . 1 65 65 VAL HG21 H 1 0.778 0.001 . 2 . . . . A 110 VAL HG21 . 34698 1
544 . 1 . 1 65 65 VAL HG22 H 1 0.778 0.001 . 2 . . . . A 110 VAL HG22 . 34698 1
545 . 1 . 1 65 65 VAL HG23 H 1 0.778 0.001 . 2 . . . . A 110 VAL HG23 . 34698 1
546 . 1 . 1 65 65 VAL C C 13 173.384 0.02 . 1 . . . . A 110 VAL C . 34698 1
547 . 1 . 1 65 65 VAL CA C 13 60.419 0.054 . 1 . . . . A 110 VAL CA . 34698 1
548 . 1 . 1 65 65 VAL CB C 13 35.891 0.059 . 1 . . . . A 110 VAL CB . 34698 1
549 . 1 . 1 65 65 VAL CG1 C 13 23.108 0 . 2 . . . . A 110 VAL CG1 . 34698 1
550 . 1 . 1 65 65 VAL CG2 C 13 22.228 0 . 2 . . . . A 110 VAL CG2 . 34698 1
551 . 1 . 1 65 65 VAL N N 15 124.238 0.02 . 1 . . . . A 110 VAL N . 34698 1
552 . 1 . 1 66 66 ASP H H 1 8.231 0.003 . 1 . . . . A 111 ASP H . 34698 1
553 . 1 . 1 66 66 ASP HA H 1 5.015 0.003 . 1 . . . . A 111 ASP HA . 34698 1
554 . 1 . 1 66 66 ASP HB2 H 1 2.505 0.004 . 2 . . . . A 111 ASP HB2 . 34698 1
555 . 1 . 1 66 66 ASP HB3 H 1 2.622 0.008 . 2 . . . . A 111 ASP HB3 . 34698 1
556 . 1 . 1 66 66 ASP C C 13 176.95 0.006 . 1 . . . . A 111 ASP C . 34698 1
557 . 1 . 1 66 66 ASP CA C 13 52.578 0.051 . 1 . . . . A 111 ASP CA . 34698 1
558 . 1 . 1 66 66 ASP CB C 13 43.936 0.037 . 1 . . . . A 111 ASP CB . 34698 1
559 . 1 . 1 66 66 ASP N N 15 125.005 0.029 . 1 . . . . A 111 ASP N . 34698 1
560 . 1 . 1 67 67 CYS H H 1 8.681 0.004 . 1 . . . . A 112 CYS H . 34698 1
561 . 1 . 1 67 67 CYS HA H 1 4.947 0.001 . 1 . . . . A 112 CYS HA . 34698 1
562 . 1 . 1 67 67 CYS HB2 H 1 3.011 0.003 . 2 . . . . A 112 CYS HB2 . 34698 1
563 . 1 . 1 67 67 CYS HB3 H 1 2.618 0.001 . 2 . . . . A 112 CYS HB3 . 34698 1
564 . 1 . 1 67 67 CYS C C 13 172.614 0.007 . 1 . . . . A 112 CYS C . 34698 1
565 . 1 . 1 67 67 CYS CA C 13 58.019 0.039 . 1 . . . . A 112 CYS CA . 34698 1
566 . 1 . 1 67 67 CYS CB C 13 31.913 0.022 . 1 . . . . A 112 CYS CB . 34698 1
567 . 1 . 1 67 67 CYS N N 15 123.384 0.032 . 1 . . . . A 112 CYS N . 34698 1
568 . 1 . 1 68 68 GLU H H 1 8.515 0.004 . 1 . . . . A 113 GLU H . 34698 1
569 . 1 . 1 68 68 GLU HB2 H 1 1.781 0 . 2 . . . . A 113 GLU HB2 . 34698 1
570 . 1 . 1 68 68 GLU HB3 H 1 1.948 0 . 2 . . . . A 113 GLU HB3 . 34698 1
571 . 1 . 1 68 68 GLU HG2 H 1 2.088 0 . 2 . . . . A 113 GLU HG2 . 34698 1
572 . 1 . 1 68 68 GLU HG3 H 1 2.136 0 . 2 . . . . A 113 GLU HG3 . 34698 1
573 . 1 . 1 68 68 GLU C C 13 174.246 0.006 . 1 . . . . A 113 GLU C . 34698 1
574 . 1 . 1 68 68 GLU CA C 13 55.008 0.04 . 1 . . . . A 113 GLU CA . 34698 1
575 . 1 . 1 68 68 GLU CB C 13 31.283 0.073 . 1 . . . . A 113 GLU CB . 34698 1
576 . 1 . 1 68 68 GLU CG C 13 36.389 0.002 . 1 . . . . A 113 GLU CG . 34698 1
577 . 1 . 1 68 68 GLU N N 15 122.954 0.037 . 1 . . . . A 113 GLU N . 34698 1
578 . 1 . 1 69 69 CYS H H 1 7.957 0.003 . 1 . . . . A 114 CYS H . 34698 1
579 . 1 . 1 69 69 CYS HA H 1 4.909 0.002 . 1 . . . . A 114 CYS HA . 34698 1
580 . 1 . 1 69 69 CYS HB2 H 1 3.23 0.005 . 1 . . . . A 114 CYS HB2 . 34698 1
581 . 1 . 1 69 69 CYS HB3 H 1 3.23 0.005 . 1 . . . . A 114 CYS HB3 . 34698 1
582 . 1 . 1 69 69 CYS C C 13 172.794 0.017 . 1 . . . . A 114 CYS C . 34698 1
583 . 1 . 1 69 69 CYS CA C 13 56.524 0.049 . 1 . . . . A 114 CYS CA . 34698 1
584 . 1 . 1 69 69 CYS CB C 13 30.381 0.025 . 1 . . . . A 114 CYS CB . 34698 1
585 . 1 . 1 69 69 CYS N N 15 119.361 0.043 . 1 . . . . A 114 CYS N . 34698 1
586 . 1 . 1 70 70 GLY H H 1 8.619 0.003 . 1 . . . . A 115 GLY H . 34698 1
587 . 1 . 1 70 70 GLY HA2 H 1 4.072 0.003 . 2 . . . . A 115 GLY HA2 . 34698 1
588 . 1 . 1 70 70 GLY HA3 H 1 4.301 0.006 . 2 . . . . A 115 GLY HA3 . 34698 1
589 . 1 . 1 70 70 GLY C C 13 174.532 0.021 . 1 . . . . A 115 GLY C . 34698 1
590 . 1 . 1 70 70 GLY CA C 13 44.695 0.034 . 1 . . . . A 115 GLY CA . 34698 1
591 . 1 . 1 70 70 GLY N N 15 107.653 0.054 . 1 . . . . A 115 GLY N . 34698 1
592 . 1 . 1 71 71 LYS H H 1 8.604 0.002 . 1 . . . . A 116 LYS H . 34698 1
593 . 1 . 1 71 71 LYS HA H 1 3.936 0.003 . 1 . . . . A 116 LYS HA . 34698 1
594 . 1 . 1 71 71 LYS HB2 H 1 1.901 0.003 . 1 . . . . A 116 LYS HB2 . 34698 1
595 . 1 . 1 71 71 LYS HG2 H 1 1.48 0.005 . 2 . . . . A 116 LYS HG2 . 34698 1
596 . 1 . 1 71 71 LYS HG3 H 1 1.577 0.004 . 2 . . . . A 116 LYS HG3 . 34698 1
597 . 1 . 1 71 71 LYS HD2 H 1 1.738 0 . 1 . . . . A 116 LYS HD2 . 34698 1
598 . 1 . 1 71 71 LYS HE2 H 1 3.025 0.004 . 1 . . . . A 116 LYS HE2 . 34698 1
599 . 1 . 1 71 71 LYS C C 13 179.098 0.004 . 1 . . . . A 116 LYS C . 34698 1
600 . 1 . 1 71 71 LYS CA C 13 59.898 0.066 . 1 . . . . A 116 LYS CA . 34698 1
601 . 1 . 1 71 71 LYS CB C 13 32.46 0.044 . 1 . . . . A 116 LYS CB . 34698 1
602 . 1 . 1 71 71 LYS CG C 13 24.875 0.056 . 1 . . . . A 116 LYS CG . 34698 1
603 . 1 . 1 71 71 LYS CD C 13 29.082 0.032 . 1 . . . . A 116 LYS CD . 34698 1
604 . 1 . 1 71 71 LYS CE C 13 42.169 0.054 . 1 . . . . A 116 LYS CE . 34698 1
605 . 1 . 1 71 71 LYS N N 15 121.349 0.054 . 1 . . . . A 116 LYS N . 34698 1
606 . 1 . 1 72 72 THR H H 1 8.572 0.002 . 1 . . . . A 117 THR H . 34698 1
607 . 1 . 1 72 72 THR HA H 1 3.97 0.003 . 1 . . . . A 117 THR HA . 34698 1
608 . 1 . 1 72 72 THR HB H 1 4.128 0.002 . 1 . . . . A 117 THR HB . 34698 1
609 . 1 . 1 72 72 THR HG21 H 1 1.235 0.003 . 1 . . . . A 117 THR HG21 . 34698 1
610 . 1 . 1 72 72 THR HG22 H 1 1.235 0.003 . 1 . . . . A 117 THR HG22 . 34698 1
611 . 1 . 1 72 72 THR HG23 H 1 1.235 0.003 . 1 . . . . A 117 THR HG23 . 34698 1
612 . 1 . 1 72 72 THR C C 13 176.704 0.009 . 1 . . . . A 117 THR C . 34698 1
613 . 1 . 1 72 72 THR CA C 13 66.861 0.06 . 1 . . . . A 117 THR CA . 34698 1
614 . 1 . 1 72 72 THR CB C 13 68.35 0.053 . 1 . . . . A 117 THR CB . 34698 1
615 . 1 . 1 72 72 THR CG2 C 13 21.996 0.062 . 1 . . . . A 117 THR CG2 . 34698 1
616 . 1 . 1 72 72 THR N N 15 116.262 0.048 . 1 . . . . A 117 THR N . 34698 1
617 . 1 . 1 73 73 GLU H H 1 9.12 0.003 . 1 . . . . A 118 GLU H . 34698 1
618 . 1 . 1 73 73 GLU HA H 1 4.011 0.003 . 1 . . . . A 118 GLU HA . 34698 1
619 . 1 . 1 73 73 GLU HB2 H 1 2.155 0.003 . 2 . . . . A 118 GLU HB2 . 34698 1
620 . 1 . 1 73 73 GLU HB3 H 1 1.976 0.004 . 2 . . . . A 118 GLU HB3 . 34698 1
621 . 1 . 1 73 73 GLU HG2 H 1 2.607 0.003 . 2 . . . . A 118 GLU HG2 . 34698 1
622 . 1 . 1 73 73 GLU HG3 H 1 2.326 0.004 . 2 . . . . A 118 GLU HG3 . 34698 1
623 . 1 . 1 73 73 GLU C C 13 178.424 0.011 . 1 . . . . A 118 GLU C . 34698 1
624 . 1 . 1 73 73 GLU CA C 13 60.455 0.027 . 1 . . . . A 118 GLU CA . 34698 1
625 . 1 . 1 73 73 GLU CB C 13 28.615 0.038 . 1 . . . . A 118 GLU CB . 34698 1
626 . 1 . 1 73 73 GLU CG C 13 37.444 0.034 . 1 . . . . A 118 GLU CG . 34698 1
627 . 1 . 1 73 73 GLU N N 15 122.911 0.046 . 1 . . . . A 118 GLU N . 34698 1
628 . 1 . 1 74 74 PHE H H 1 8.2 0.004 . 1 . . . . A 119 PHE H . 34698 1
629 . 1 . 1 74 74 PHE HA H 1 4.056 0.001 . 1 . . . . A 119 PHE HA . 34698 1
630 . 1 . 1 74 74 PHE HB2 H 1 3.163 0.008 . 1 . . . . A 119 PHE HB2 . 34698 1
631 . 1 . 1 74 74 PHE C C 13 176.689 0.013 . 1 . . . . A 119 PHE C . 34698 1
632 . 1 . 1 74 74 PHE CA C 13 61.725 0.035 . 1 . . . . A 119 PHE CA . 34698 1
633 . 1 . 1 74 74 PHE CB C 13 39.452 0.057 . 1 . . . . A 119 PHE CB . 34698 1
634 . 1 . 1 74 74 PHE N N 15 120.65 0.031 . 1 . . . . A 119 PHE N . 34698 1
635 . 1 . 1 75 75 ASN H H 1 8.259 0.004 . 1 . . . . A 120 ASN H . 34698 1
636 . 1 . 1 75 75 ASN HA H 1 4.222 0.004 . 1 . . . . A 120 ASN HA . 34698 1
637 . 1 . 1 75 75 ASN HB2 H 1 2.823 0.002 . 2 . . . . A 120 ASN HB2 . 34698 1
638 . 1 . 1 75 75 ASN HB3 H 1 2.991 0.004 . 2 . . . . A 120 ASN HB3 . 34698 1
639 . 1 . 1 75 75 ASN C C 13 178.582 0.007 . 1 . . . . A 120 ASN C . 34698 1
640 . 1 . 1 75 75 ASN CA C 13 56.501 0.024 . 1 . . . . A 120 ASN CA . 34698 1
641 . 1 . 1 75 75 ASN CB C 13 37.991 0.025 . 1 . . . . A 120 ASN CB . 34698 1
642 . 1 . 1 75 75 ASN N N 15 116.927 0.032 . 1 . . . . A 120 ASN N . 34698 1
643 . 1 . 1 76 76 GLU H H 1 7.983 0.002 . 1 . . . . A 121 GLU H . 34698 1
644 . 1 . 1 76 76 GLU HA H 1 3.928 0.002 . 1 . . . . A 121 GLU HA . 34698 1
645 . 1 . 1 76 76 GLU HB2 H 1 2.181 0 . 2 . . . . A 121 GLU HB2 . 34698 1
646 . 1 . 1 76 76 GLU HB3 H 1 2.094 0 . 2 . . . . A 121 GLU HB3 . 34698 1
647 . 1 . 1 76 76 GLU HG2 H 1 2.555 0.003 . 1 . . . . A 121 GLU HG2 . 34698 1
648 . 1 . 1 76 76 GLU C C 13 179.192 0.008 . 1 . . . . A 121 GLU C . 34698 1
649 . 1 . 1 76 76 GLU CA C 13 59.365 0.051 . 1 . . . . A 121 GLU CA . 34698 1
650 . 1 . 1 76 76 GLU CB C 13 29.74 0.103 . 1 . . . . A 121 GLU CB . 34698 1
651 . 1 . 1 76 76 GLU CG C 13 36.395 0.019 . 1 . . . . A 121 GLU CG . 34698 1
652 . 1 . 1 76 76 GLU N N 15 119.154 0.01 . 1 . . . . A 121 GLU N . 34698 1
653 . 1 . 1 77 77 LEU H H 1 8.005 0.003 . 1 . . . . A 122 LEU H . 34698 1
654 . 1 . 1 77 77 LEU HA H 1 3.75 0.003 . 1 . . . . A 122 LEU HA . 34698 1
655 . 1 . 1 77 77 LEU HB2 H 1 1.191 0.002 . 2 . . . . A 122 LEU HB2 . 34698 1
656 . 1 . 1 77 77 LEU HB3 H 1 1.942 0.004 . 2 . . . . A 122 LEU HB3 . 34698 1
657 . 1 . 1 77 77 LEU HG H 1 0.796 0 . 1 . . . . A 122 LEU HG . 34698 1
658 . 1 . 1 77 77 LEU HD11 H 1 -0.009 0.001 . 2 . . . . A 122 LEU HD11 . 34698 1
659 . 1 . 1 77 77 LEU HD12 H 1 -0.009 0.001 . 2 . . . . A 122 LEU HD12 . 34698 1
660 . 1 . 1 77 77 LEU HD13 H 1 -0.009 0.001 . 2 . . . . A 122 LEU HD13 . 34698 1
661 . 1 . 1 77 77 LEU HD21 H 1 0.139 0 . 2 . . . . A 122 LEU HD21 . 34698 1
662 . 1 . 1 77 77 LEU HD22 H 1 0.139 0 . 2 . . . . A 122 LEU HD22 . 34698 1
663 . 1 . 1 77 77 LEU HD23 H 1 0.139 0 . 2 . . . . A 122 LEU HD23 . 34698 1
664 . 1 . 1 77 77 LEU C C 13 178.213 0.012 . 1 . . . . A 122 LEU C . 34698 1
665 . 1 . 1 77 77 LEU CA C 13 58.165 0.042 . 1 . . . . A 122 LEU CA . 34698 1
666 . 1 . 1 77 77 LEU CB C 13 41.039 0.074 . 1 . . . . A 122 LEU CB . 34698 1
667 . 1 . 1 77 77 LEU CG C 13 27.011 0 . 1 . . . . A 122 LEU CG . 34698 1
668 . 1 . 1 77 77 LEU CD1 C 13 25.127 0 . 2 . . . . A 122 LEU CD1 . 34698 1
669 . 1 . 1 77 77 LEU CD2 C 13 23.161 0 . 2 . . . . A 122 LEU CD2 . 34698 1
670 . 1 . 1 77 77 LEU N N 15 121.268 0.017 . 1 . . . . A 122 LEU N . 34698 1
671 . 1 . 1 78 78 ILE H H 1 8.179 0.004 . 1 . . . . A 123 ILE H . 34698 1
672 . 1 . 1 78 78 ILE HA H 1 3.301 0.002 . 1 . . . . A 123 ILE HA . 34698 1
673 . 1 . 1 78 78 ILE HB H 1 1.923 0.001 . 1 . . . . A 123 ILE HB . 34698 1
674 . 1 . 1 78 78 ILE HG12 H 1 0.746 0.006 . 2 . . . . A 123 ILE HG12 . 34698 1
675 . 1 . 1 78 78 ILE HG13 H 1 0.922 0.004 . 2 . . . . A 123 ILE HG13 . 34698 1
676 . 1 . 1 78 78 ILE HG21 H 1 0.693 0.001 . 1 . . . . A 123 ILE HG21 . 34698 1
677 . 1 . 1 78 78 ILE HG22 H 1 0.693 0.001 . 1 . . . . A 123 ILE HG22 . 34698 1
678 . 1 . 1 78 78 ILE HG23 H 1 0.693 0.001 . 1 . . . . A 123 ILE HG23 . 34698 1
679 . 1 . 1 78 78 ILE HD11 H 1 0.188 0.001 . 1 . . . . A 123 ILE HD11 . 34698 1
680 . 1 . 1 78 78 ILE HD12 H 1 0.188 0.001 . 1 . . . . A 123 ILE HD12 . 34698 1
681 . 1 . 1 78 78 ILE HD13 H 1 0.188 0.001 . 1 . . . . A 123 ILE HD13 . 34698 1
682 . 1 . 1 78 78 ILE C C 13 177.324 0.004 . 1 . . . . A 123 ILE C . 34698 1
683 . 1 . 1 78 78 ILE CA C 13 62.44 0.067 . 1 . . . . A 123 ILE CA . 34698 1
684 . 1 . 1 78 78 ILE CB C 13 34.768 0.048 . 1 . . . . A 123 ILE CB . 34698 1
685 . 1 . 1 78 78 ILE CG1 C 13 26.075 0.057 . 1 . . . . A 123 ILE CG1 . 34698 1
686 . 1 . 1 78 78 ILE CG2 C 13 17.76 0.037 . 1 . . . . A 123 ILE CG2 . 34698 1
687 . 1 . 1 78 78 ILE CD1 C 13 9.328 0.039 . 1 . . . . A 123 ILE CD1 . 34698 1
688 . 1 . 1 78 78 ILE N N 15 119.377 0.034 . 1 . . . . A 123 ILE N . 34698 1
689 . 1 . 1 79 79 GLN H H 1 7.39 0.002 . 1 . . . . A 124 GLN H . 34698 1
690 . 1 . 1 79 79 GLN HA H 1 3.832 0.003 . 1 . . . . A 124 GLN HA . 34698 1
691 . 1 . 1 79 79 GLN HB2 H 1 2.099 0.002 . 2 . . . . A 124 GLN HB2 . 34698 1
692 . 1 . 1 79 79 GLN HB3 H 1 2.123 0.003 . 2 . . . . A 124 GLN HB3 . 34698 1
693 . 1 . 1 79 79 GLN HG2 H 1 2.494 0.007 . 2 . . . . A 124 GLN HG2 . 34698 1
694 . 1 . 1 79 79 GLN HG3 H 1 2.436 0.007 . 2 . . . . A 124 GLN HG3 . 34698 1
695 . 1 . 1 79 79 GLN C C 13 177.724 0.01 . 1 . . . . A 124 GLN C . 34698 1
696 . 1 . 1 79 79 GLN CA C 13 58.52 0.061 . 1 . . . . A 124 GLN CA . 34698 1
697 . 1 . 1 79 79 GLN CB C 13 27.923 0.038 . 1 . . . . A 124 GLN CB . 34698 1
698 . 1 . 1 79 79 GLN CG C 13 33.411 0.026 . 1 . . . . A 124 GLN CG . 34698 1
699 . 1 . 1 79 79 GLN N N 15 116.105 0.031 . 1 . . . . A 124 GLN N . 34698 1
700 . 1 . 1 80 80 LEU H H 1 7.195 0.001 . 1 . . . . A 125 LEU H . 34698 1
701 . 1 . 1 80 80 LEU HA H 1 4.371 0.002 . 1 . . . . A 125 LEU HA . 34698 1
702 . 1 . 1 80 80 LEU HB2 H 1 1.543 0.004 . 2 . . . . A 125 LEU HB2 . 34698 1
703 . 1 . 1 80 80 LEU HB3 H 1 1.883 0.004 . 2 . . . . A 125 LEU HB3 . 34698 1
704 . 1 . 1 80 80 LEU HD11 H 1 0.888 0 . 2 . . . . A 125 LEU HD11 . 34698 1
705 . 1 . 1 80 80 LEU HD12 H 1 0.888 0 . 2 . . . . A 125 LEU HD12 . 34698 1
706 . 1 . 1 80 80 LEU HD13 H 1 0.888 0 . 2 . . . . A 125 LEU HD13 . 34698 1
707 . 1 . 1 80 80 LEU HD21 H 1 0.887 0.001 . 2 . . . . A 125 LEU HD21 . 34698 1
708 . 1 . 1 80 80 LEU HD22 H 1 0.887 0.001 . 2 . . . . A 125 LEU HD22 . 34698 1
709 . 1 . 1 80 80 LEU HD23 H 1 0.887 0.001 . 2 . . . . A 125 LEU HD23 . 34698 1
710 . 1 . 1 80 80 LEU C C 13 180.349 0 . 1 . . . . A 125 LEU C . 34698 1
711 . 1 . 1 80 80 LEU CA C 13 56.967 0.003 . 1 . . . . A 125 LEU CA . 34698 1
712 . 1 . 1 80 80 LEU CB C 13 43.1 0.047 . 1 . . . . A 125 LEU CB . 34698 1
713 . 1 . 1 80 80 LEU CD1 C 13 25.748 0 . 2 . . . . A 125 LEU CD1 . 34698 1
714 . 1 . 1 80 80 LEU CD2 C 13 22.838 0 . 2 . . . . A 125 LEU CD2 . 34698 1
715 . 1 . 1 80 80 LEU N N 15 116.339 0.041 . 1 . . . . A 125 LEU N . 34698 1
716 . 1 . 1 81 81 LEU H H 1 8.897 0.002 . 1 . . . . A 126 LEU H . 34698 1
717 . 1 . 1 81 81 LEU HA H 1 3.677 0.001 . 1 . . . . A 126 LEU HA . 34698 1
718 . 1 . 1 81 81 LEU HB2 H 1 1.328 0.002 . 1 . . . . A 126 LEU HB2 . 34698 1
719 . 1 . 1 81 81 LEU HB3 H 1 1.328 0.002 . 1 . . . . A 126 LEU HB3 . 34698 1
720 . 1 . 1 81 81 LEU HG H 1 1.265 0.003 . 1 . . . . A 126 LEU HG . 34698 1
721 . 1 . 1 81 81 LEU HD11 H 1 0.325 0 . 2 . . . . A 126 LEU HD11 . 34698 1
722 . 1 . 1 81 81 LEU HD12 H 1 0.325 0 . 2 . . . . A 126 LEU HD12 . 34698 1
723 . 1 . 1 81 81 LEU HD13 H 1 0.325 0 . 2 . . . . A 126 LEU HD13 . 34698 1
724 . 1 . 1 81 81 LEU HD21 H 1 0.364 0.001 . 2 . . . . A 126 LEU HD21 . 34698 1
725 . 1 . 1 81 81 LEU HD22 H 1 0.364 0.001 . 2 . . . . A 126 LEU HD22 . 34698 1
726 . 1 . 1 81 81 LEU HD23 H 1 0.364 0.001 . 2 . . . . A 126 LEU HD23 . 34698 1
727 . 1 . 1 81 81 LEU C C 13 179.915 0.012 . 1 . . . . A 126 LEU C . 34698 1
728 . 1 . 1 81 81 LEU CA C 13 57.582 0.074 . 1 . . . . A 126 LEU CA . 34698 1
729 . 1 . 1 81 81 LEU CB C 13 42.982 0.054 . 1 . . . . A 126 LEU CB . 34698 1
730 . 1 . 1 81 81 LEU CG C 13 26.165 0.013 . 1 . . . . A 126 LEU CG . 34698 1
731 . 1 . 1 81 81 LEU CD1 C 13 24.44 0 . 2 . . . . A 126 LEU CD1 . 34698 1
732 . 1 . 1 81 81 LEU CD2 C 13 24.302 0 . 2 . . . . A 126 LEU CD2 . 34698 1
733 . 1 . 1 81 81 LEU N N 15 122.519 0.078 . 1 . . . . A 126 LEU N . 34698 1
734 . 1 . 1 82 82 LYS H H 1 8.139 0.002 . 1 . . . . A 127 LYS H . 34698 1
735 . 1 . 1 82 82 LYS CA C 13 58.442 0.03 . 1 . . . . A 127 LYS CA . 34698 1
736 . 1 . 1 82 82 LYS CB C 13 32.182 0.112 . 1 . . . . A 127 LYS CB . 34698 1
737 . 1 . 1 82 82 LYS CD C 13 29.765 0.024 . 1 . . . . A 127 LYS CD . 34698 1
738 . 1 . 1 82 82 LYS N N 15 117.777 0.066 . 1 . . . . A 127 LYS N . 34698 1
739 . 1 . 1 83 83 PHE H H 1 7.196 0.004 . 1 . . . . A 128 PHE H . 34698 1
740 . 1 . 1 83 83 PHE HA H 1 4.662 0.001 . 1 . . . . A 128 PHE HA . 34698 1
741 . 1 . 1 83 83 PHE HB2 H 1 3.078 0.004 . 2 . . . . A 128 PHE HB2 . 34698 1
742 . 1 . 1 83 83 PHE HB3 H 1 3.373 0.002 . 2 . . . . A 128 PHE HB3 . 34698 1
743 . 1 . 1 83 83 PHE C C 13 176.384 0 . 1 . . . . A 128 PHE C . 34698 1
744 . 1 . 1 83 83 PHE CA C 13 59.317 0.047 . 1 . . . . A 128 PHE CA . 34698 1
745 . 1 . 1 83 83 PHE CB C 13 39.503 0.028 . 1 . . . . A 128 PHE CB . 34698 1
746 . 1 . 1 83 83 PHE CD1 C 13 131.724 0 . 1 . . . . A 128 PHE CD1 . 34698 1
747 . 1 . 1 83 83 PHE CD2 C 13 131.724 0 . 1 . . . . A 128 PHE CD2 . 34698 1
748 . 1 . 1 83 83 PHE CE1 C 13 131.89 0 . 1 . . . . A 128 PHE CE1 . 34698 1
749 . 1 . 1 83 83 PHE CE2 C 13 131.89 0 . 1 . . . . A 128 PHE CE2 . 34698 1
750 . 1 . 1 83 83 PHE CZ C 13 129.795 0 . 1 . . . . A 128 PHE CZ . 34698 1
751 . 1 . 1 83 83 PHE N N 15 115.378 0.06 . 1 . . . . A 128 PHE N . 34698 1
752 . 1 . 1 84 84 GLN H H 1 7.627 0.002 . 1 . . . . A 129 GLN H . 34698 1
753 . 1 . 1 84 84 GLN HA H 1 4.677 0.001 . 1 . . . . A 129 GLN HA . 34698 1
754 . 1 . 1 84 84 GLN HG2 H 1 2.343 0.012 . 2 . . . . A 129 GLN HG2 . 34698 1
755 . 1 . 1 84 84 GLN HG3 H 1 2.363 0.005 . 2 . . . . A 129 GLN HG3 . 34698 1
756 . 1 . 1 84 84 GLN C C 13 176.833 0 . 1 . . . . A 129 GLN C . 34698 1
757 . 1 . 1 84 84 GLN CA C 13 55.742 0.058 . 1 . . . . A 129 GLN CA . 34698 1
758 . 1 . 1 84 84 GLN CG C 13 33.587 0.012 . 1 . . . . A 129 GLN CG . 34698 1
759 . 1 . 1 84 84 GLN N N 15 115.371 0.038 . 1 . . . . A 129 GLN N . 34698 1
760 . 1 . 1 85 85 THR H H 1 8.126 0.003 . 1 . . . . A 130 THR H . 34698 1
761 . 1 . 1 85 85 THR HA H 1 4.552 0 . 1 . . . . A 130 THR HA . 34698 1
762 . 1 . 1 85 85 THR HB H 1 4.154 0 . 1 . . . . A 130 THR HB . 34698 1
763 . 1 . 1 85 85 THR HG21 H 1 1.131 0 . 1 . . . . A 130 THR HG21 . 34698 1
764 . 1 . 1 85 85 THR HG22 H 1 1.131 0 . 1 . . . . A 130 THR HG22 . 34698 1
765 . 1 . 1 85 85 THR HG23 H 1 1.131 0 . 1 . . . . A 130 THR HG23 . 34698 1
766 . 1 . 1 85 85 THR CA C 13 62.021 0.031 . 1 . . . . A 130 THR CA . 34698 1
767 . 1 . 1 85 85 THR CB C 13 70.051 0 . 1 . . . . A 130 THR CB . 34698 1
768 . 1 . 1 85 85 THR CG2 C 13 21.483 0 . 1 . . . . A 130 THR CG2 . 34698 1
769 . 1 . 1 85 85 THR N N 15 114.323 0 . 1 . . . . A 130 THR N . 34698 1
770 . 1 . 1 87 87 ILE HA H 1 4.016 0 . 1 . . . . A 132 ILE HA . 34698 1
771 . 1 . 1 87 87 ILE HB H 1 2.071 0.002 . 1 . . . . A 132 ILE HB . 34698 1
772 . 1 . 1 87 87 ILE HG12 H 1 1.341 0.005 . 2 . . . . A 132 ILE HG12 . 34698 1
773 . 1 . 1 87 87 ILE HG13 H 1 1.436 0.004 . 2 . . . . A 132 ILE HG13 . 34698 1
774 . 1 . 1 87 87 ILE HG21 H 1 0.782 0.001 . 1 . . . . A 132 ILE HG21 . 34698 1
775 . 1 . 1 87 87 ILE HG22 H 1 0.782 0.001 . 1 . . . . A 132 ILE HG22 . 34698 1
776 . 1 . 1 87 87 ILE HG23 H 1 0.782 0.001 . 1 . . . . A 132 ILE HG23 . 34698 1
777 . 1 . 1 87 87 ILE HD11 H 1 0.618 0.003 . 1 . . . . A 132 ILE HD11 . 34698 1
778 . 1 . 1 87 87 ILE HD12 H 1 0.618 0.003 . 1 . . . . A 132 ILE HD12 . 34698 1
779 . 1 . 1 87 87 ILE HD13 H 1 0.618 0.003 . 1 . . . . A 132 ILE HD13 . 34698 1
780 . 1 . 1 87 87 ILE CA C 13 60.848 0.022 . 1 . . . . A 132 ILE CA . 34698 1
781 . 1 . 1 87 87 ILE CB C 13 35.517 0 . 1 . . . . A 132 ILE CB . 34698 1
782 . 1 . 1 87 87 ILE CG1 C 13 27.531 0.029 . 1 . . . . A 132 ILE CG1 . 34698 1
783 . 1 . 1 87 87 ILE CG2 C 13 17.274 0.072 . 1 . . . . A 132 ILE CG2 . 34698 1
784 . 1 . 1 87 87 ILE CD1 C 13 10.071 0.034 . 1 . . . . A 132 ILE CD1 . 34698 1
785 . 1 . 1 88 88 VAL HB H 1 1.773 0.003 . 1 . . . . A 133 VAL HB . 34698 1
786 . 1 . 1 88 88 VAL HG11 H 1 0.944 0 . 2 . . . . A 133 VAL HG11 . 34698 1
787 . 1 . 1 88 88 VAL HG12 H 1 0.944 0 . 2 . . . . A 133 VAL HG12 . 34698 1
788 . 1 . 1 88 88 VAL HG13 H 1 0.944 0 . 2 . . . . A 133 VAL HG13 . 34698 1
789 . 1 . 1 88 88 VAL HG21 H 1 0.961 0.002 . 2 . . . . A 133 VAL HG21 . 34698 1
790 . 1 . 1 88 88 VAL HG22 H 1 0.961 0.002 . 2 . . . . A 133 VAL HG22 . 34698 1
791 . 1 . 1 88 88 VAL HG23 H 1 0.961 0.002 . 2 . . . . A 133 VAL HG23 . 34698 1
792 . 1 . 1 88 88 VAL CB C 13 32.642 0.024 . 1 . . . . A 133 VAL CB . 34698 1
793 . 1 . 1 88 88 VAL CG1 C 13 21.64 0.013 . 2 . . . . A 133 VAL CG1 . 34698 1
794 . 1 . 1 88 88 VAL CG2 C 13 20.632 0.021 . 2 . . . . A 133 VAL CG2 . 34698 1
795 . 1 . 1 89 89 THR HA H 1 4.61 0.002 . 1 . . . . A 134 THR HA . 34698 1
796 . 1 . 1 89 89 THR HB H 1 4.274 0.006 . 1 . . . . A 134 THR HB . 34698 1
797 . 1 . 1 89 89 THR HG21 H 1 1.044 0.005 . 1 . . . . A 134 THR HG21 . 34698 1
798 . 1 . 1 89 89 THR HG22 H 1 1.044 0.005 . 1 . . . . A 134 THR HG22 . 34698 1
799 . 1 . 1 89 89 THR HG23 H 1 1.044 0.005 . 1 . . . . A 134 THR HG23 . 34698 1
800 . 1 . 1 89 89 THR C C 13 171.38 0 . 1 . . . . A 134 THR C . 34698 1
801 . 1 . 1 89 89 THR CA C 13 61.191 0.012 . 1 . . . . A 134 THR CA . 34698 1
802 . 1 . 1 89 89 THR CB C 13 69.13 0 . 1 . . . . A 134 THR CB . 34698 1
803 . 1 . 1 89 89 THR CG2 C 13 20.431 0.035 . 1 . . . . A 134 THR CG2 . 34698 1
804 . 1 . 1 90 90 LEU H H 1 8.592 0.002 . 1 . . . . A 135 LEU H . 34698 1
805 . 1 . 1 90 90 LEU HA H 1 5.021 0.005 . 1 . . . . A 135 LEU HA . 34698 1
806 . 1 . 1 90 90 LEU HB2 H 1 1.713 0 . 2 . . . . A 135 LEU HB2 . 34698 1
807 . 1 . 1 90 90 LEU HB3 H 1 1.9 0 . 2 . . . . A 135 LEU HB3 . 34698 1
808 . 1 . 1 90 90 LEU HD11 H 1 1.002 0 . 2 . . . . A 135 LEU HD11 . 34698 1
809 . 1 . 1 90 90 LEU HD12 H 1 1.002 0 . 2 . . . . A 135 LEU HD12 . 34698 1
810 . 1 . 1 90 90 LEU HD13 H 1 1.002 0 . 2 . . . . A 135 LEU HD13 . 34698 1
811 . 1 . 1 90 90 LEU HD21 H 1 1.025 0 . 2 . . . . A 135 LEU HD21 . 34698 1
812 . 1 . 1 90 90 LEU HD22 H 1 1.025 0 . 2 . . . . A 135 LEU HD22 . 34698 1
813 . 1 . 1 90 90 LEU HD23 H 1 1.025 0 . 2 . . . . A 135 LEU HD23 . 34698 1
814 . 1 . 1 90 90 LEU C C 13 175.846 0.01 . 1 . . . . A 135 LEU C . 34698 1
815 . 1 . 1 90 90 LEU CA C 13 54.068 0.034 . 1 . . . . A 135 LEU CA . 34698 1
816 . 1 . 1 90 90 LEU CB C 13 42.724 0.052 . 1 . . . . A 135 LEU CB . 34698 1
817 . 1 . 1 90 90 LEU CD1 C 13 25.56 0 . 2 . . . . A 135 LEU CD1 . 34698 1
818 . 1 . 1 90 90 LEU CD2 C 13 24.528 0 . 2 . . . . A 135 LEU CD2 . 34698 1
819 . 1 . 1 90 90 LEU N N 15 126.081 0.06 . 1 . . . . A 135 LEU N . 34698 1
820 . 1 . 1 91 91 ASN H H 1 9.005 0.001 . 1 . . . . A 136 ASN H . 34698 1
821 . 1 . 1 91 91 ASN HA H 1 4.898 0.004 . 1 . . . . A 136 ASN HA . 34698 1
822 . 1 . 1 91 91 ASN HB2 H 1 2.598 0.003 . 2 . . . . A 136 ASN HB2 . 34698 1
823 . 1 . 1 91 91 ASN HB3 H 1 2.755 0.008 . 2 . . . . A 136 ASN HB3 . 34698 1
824 . 1 . 1 91 91 ASN CA C 13 52.225 0.115 . 1 . . . . A 136 ASN CA . 34698 1
825 . 1 . 1 91 91 ASN CB C 13 39.133 0.026 . 1 . . . . A 136 ASN CB . 34698 1
826 . 1 . 1 91 91 ASN N N 15 117.878 0.014 . 1 . . . . A 136 ASN N . 34698 1
827 . 1 . 1 93 93 PRO HA H 1 4.487 0 . 1 . . . . A 138 PRO HA . 34698 1
828 . 1 . 1 93 93 PRO C C 13 177.214 0 . 1 . . . . A 138 PRO C . 34698 1
829 . 1 . 1 93 93 PRO CA C 13 62.136 0 . 1 . . . . A 138 PRO CA . 34698 1
830 . 1 . 1 94 94 GLU H H 1 8.634 0.001 . 1 . . . . A 139 GLU H . 34698 1
831 . 1 . 1 94 94 GLU HA H 1 3.852 0.002 . 1 . . . . A 139 GLU HA . 34698 1
832 . 1 . 1 94 94 GLU HB2 H 1 1.911 0.002 . 1 . . . . A 139 GLU HB2 . 34698 1
833 . 1 . 1 94 94 GLU HB3 H 1 1.911 0.002 . 1 . . . . A 139 GLU HB3 . 34698 1
834 . 1 . 1 94 94 GLU HG2 H 1 2.205 0.003 . 1 . . . . A 139 GLU HG2 . 34698 1
835 . 1 . 1 94 94 GLU HG3 H 1 2.205 0.003 . 1 . . . . A 139 GLU HG3 . 34698 1
836 . 1 . 1 94 94 GLU CA C 13 58.884 0.03 . 1 . . . . A 139 GLU CA . 34698 1
837 . 1 . 1 94 94 GLU CB C 13 29.58 0.021 . 1 . . . . A 139 GLU CB . 34698 1
838 . 1 . 1 94 94 GLU CG C 13 36.16 0.028 . 1 . . . . A 139 GLU CG . 34698 1
839 . 1 . 1 94 94 GLU N N 15 120.435 0.041 . 1 . . . . A 139 GLU N . 34698 1
840 . 1 . 1 95 95 ASN HA H 1 4.555 0 . 1 . . . . A 140 ASN HA . 34698 1
841 . 1 . 1 95 95 ASN HB2 H 1 2.735 0.001 . 2 . . . . A 140 ASN HB2 . 34698 1
842 . 1 . 1 95 95 ASN HB3 H 1 2.791 0.001 . 2 . . . . A 140 ASN HB3 . 34698 1
843 . 1 . 1 95 95 ASN C C 13 175.337 0.021 . 1 . . . . A 140 ASN C . 34698 1
844 . 1 . 1 95 95 ASN CA C 13 53.002 0.031 . 1 . . . . A 140 ASN CA . 34698 1
845 . 1 . 1 95 95 ASN CB C 13 37.657 0.04 . 1 . . . . A 140 ASN CB . 34698 1
846 . 1 . 1 96 96 ILE H H 1 7.481 0.003 . 1 . . . . A 141 ILE H . 34698 1
847 . 1 . 1 96 96 ILE HD11 H 1 0.712 0 . 1 . . . . A 141 ILE HD11 . 34698 1
848 . 1 . 1 96 96 ILE HD12 H 1 0.712 0 . 1 . . . . A 141 ILE HD12 . 34698 1
849 . 1 . 1 96 96 ILE HD13 H 1 0.712 0 . 1 . . . . A 141 ILE HD13 . 34698 1
850 . 1 . 1 96 96 ILE CA C 13 65.932 0 . 1 . . . . A 141 ILE CA . 34698 1
851 . 1 . 1 96 96 ILE CD1 C 13 13.165 0 . 1 . . . . A 141 ILE CD1 . 34698 1
852 . 1 . 1 96 96 ILE N N 15 117.578 0.021 . 1 . . . . A 141 ILE N . 34698 1
853 . 1 . 1 97 97 TRP HA H 1 4.846 0.004 . 1 . . . . A 142 TRP HA . 34698 1
854 . 1 . 1 97 97 TRP HB2 H 1 3.326 0.009 . 2 . . . . A 142 TRP HB2 . 34698 1
855 . 1 . 1 97 97 TRP HB3 H 1 3.059 0.005 . 2 . . . . A 142 TRP HB3 . 34698 1
856 . 1 . 1 97 97 TRP HD1 H 1 7.198 0 . 1 . . . . A 142 TRP HD1 . 34698 1
857 . 1 . 1 97 97 TRP HZ2 H 1 7.225 0 . 1 . . . . A 142 TRP HZ2 . 34698 1
858 . 1 . 1 97 97 TRP C C 13 176.818 0.004 . 1 . . . . A 142 TRP C . 34698 1
859 . 1 . 1 97 97 TRP CA C 13 55.598 0.064 . 1 . . . . A 142 TRP CA . 34698 1
860 . 1 . 1 97 97 TRP CB C 13 30.131 0.031 . 1 . . . . A 142 TRP CB . 34698 1
861 . 1 . 1 97 97 TRP CD1 C 13 127.308 0 . 1 . . . . A 142 TRP CD1 . 34698 1
862 . 1 . 1 97 97 TRP CZ2 C 13 114.146 0 . 1 . . . . A 142 TRP CZ2 . 34698 1
863 . 1 . 1 98 98 THR H H 1 8.136 0.002 . 1 . . . . A 143 THR H . 34698 1
864 . 1 . 1 98 98 THR HA H 1 4.323 0.003 . 1 . . . . A 143 THR HA . 34698 1
865 . 1 . 1 98 98 THR HB H 1 4.241 0 . 1 . . . . A 143 THR HB . 34698 1
866 . 1 . 1 98 98 THR HG21 H 1 1.218 0 . 1 . . . . A 143 THR HG21 . 34698 1
867 . 1 . 1 98 98 THR HG22 H 1 1.218 0 . 1 . . . . A 143 THR HG22 . 34698 1
868 . 1 . 1 98 98 THR HG23 H 1 1.218 0 . 1 . . . . A 143 THR HG23 . 34698 1
869 . 1 . 1 98 98 THR C C 13 174.426 0.006 . 1 . . . . A 143 THR C . 34698 1
870 . 1 . 1 98 98 THR CA C 13 62.012 0.049 . 1 . . . . A 143 THR CA . 34698 1
871 . 1 . 1 98 98 THR CB C 13 70.003 0.077 . 1 . . . . A 143 THR CB . 34698 1
872 . 1 . 1 98 98 THR CG2 C 13 21.656 0.015 . 1 . . . . A 143 THR CG2 . 34698 1
873 . 1 . 1 98 98 THR N N 15 114.791 0.03 . 1 . . . . A 143 THR N . 34698 1
874 . 1 . 1 99 99 GLU H H 1 8.49 0.004 . 1 . . . . A 144 GLU H . 34698 1
875 . 1 . 1 99 99 GLU C C 13 175.554 0.006 . 1 . . . . A 144 GLU C . 34698 1
876 . 1 . 1 99 99 GLU CA C 13 56.425 0.068 . 1 . . . . A 144 GLU CA . 34698 1
877 . 1 . 1 99 99 GLU CB C 13 30.402 0.074 . 1 . . . . A 144 GLU CB . 34698 1
878 . 1 . 1 99 99 GLU N N 15 123.354 0.055 . 1 . . . . A 144 GLU N . 34698 1
879 . 1 . 1 100 100 GLU H H 1 8.027 0.002 . 1 . . . . A 145 GLU H . 34698 1
880 . 1 . 1 100 100 GLU HA H 1 4.104 0.002 . 1 . . . . A 145 GLU HA . 34698 1
881 . 1 . 1 100 100 GLU HB2 H 1 1.886 0.002 . 2 . . . . A 145 GLU HB2 . 34698 1
882 . 1 . 1 100 100 GLU HB3 H 1 2.031 0.001 . 2 . . . . A 145 GLU HB3 . 34698 1
883 . 1 . 1 100 100 GLU HG2 H 1 2.199 0 . 1 . . . . A 145 GLU HG2 . 34698 1
884 . 1 . 1 100 100 GLU C C 13 181.058 0 . 1 . . . . A 145 GLU C . 34698 1
885 . 1 . 1 100 100 GLU CA C 13 58.143 0.039 . 1 . . . . A 145 GLU CA . 34698 1
886 . 1 . 1 100 100 GLU CB C 13 31.251 0.029 . 1 . . . . A 145 GLU CB . 34698 1
887 . 1 . 1 100 100 GLU CG C 13 36.738 0.023 . 1 . . . . A 145 GLU CG . 34698 1
888 . 1 . 1 100 100 GLU N N 15 126.935 0.036 . 1 . . . . A 145 GLU N . 34698 1
stop_
save_
###################################
# 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_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 34698
_Assigned_chem_shift_list.ID 2
_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
13 '2D 1H-13C HSQC aromatic' . . . 34698 2
14 '2D 1H-13C HSQC aliphatic' . . . 34698 2
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 . 3 . 2 1 1 PHE CA C 13 58.967 0 . 1 . . . . C 201 PHE CA . 34698 2
2 . 3 . 2 1 1 PHE CB C 13 39.219 0.008 . 1 . . . . C 201 PHE CB . 34698 2
3 . 3 . 2 1 1 PHE CD1 C 13 133.066 0 . 1 . . . . C 201 PHE CD1 . 34698 2
4 . 3 . 2 1 1 PHE CD2 C 13 133.066 0 . 1 . . . . C 201 PHE CD2 . 34698 2
5 . 3 . 2 1 1 PHE CE1 C 13 131.439 0 . 1 . . . . C 201 PHE CE1 . 34698 2
6 . 3 . 2 1 1 PHE CE2 C 13 131.439 0 . 1 . . . . C 201 PHE CE2 . 34698 2
7 . 3 . 2 1 1 PHE CZ C 13 129.053 0 . 1 . . . . C 201 PHE CZ . 34698 2
8 . 3 . 2 1 1 PHE HA H 1 3.99 0 . 1 . . . . C 201 PHE HA . 34698 2
9 . 3 . 2 1 1 PHE HB2 H 1 3.124 0 . 2 . . . . C 201 PHE HB2 . 34698 2
10 . 3 . 2 1 1 PHE HB3 H 1 3.271 0 . 2 . . . . C 201 PHE HB3 . 34698 2
11 . 3 . 2 1 1 PHE HD1 H 1 7.224 0 . 1 . . . . C 201 PHE HD1 . 34698 2
12 . 3 . 2 1 1 PHE HD2 H 1 7.224 0 . 1 . . . . C 201 PHE HD2 . 34698 2
13 . 3 . 2 1 1 PHE HE1 H 1 7.013 0 . 1 . . . . C 201 PHE HE1 . 34698 2
14 . 3 . 2 1 1 PHE HE2 H 1 7.013 0 . 1 . . . . C 201 PHE HE2 . 34698 2
15 . 3 . 2 1 1 PHE HZ H 1 6.94 0 . 1 . . . . C 201 PHE HZ . 34698 2
stop_
save_