###################################
# 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 18928
_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 CBCA(CO)NH' . . . 18928 1
2 '3D HNCACB' . . . 18928 1
3 '3D C(CO)NH' . . . 18928 1
4 '3D HN(CA)CO' . . . 18928 1
5 '3D HNCO' . . . 18928 1
6 '2D 1H-15N HSQC' . . . 18928 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 2 2 ASN C C 13 174.858 0.009 . 1 2 . . . 607 ASN C . 18928 1
2 . 1 1 2 2 ASN CA C 13 53.296 0.01 . 1 3 . . . 607 ASN CA . 18928 1
3 . 1 1 2 2 ASN CB C 13 38.904 0.01 . 1 3 . . . 607 ASN CB . 18928 1
4 . 1 1 3 3 ARG H H 1 8.574 0.001 . 1 12 . . . 608 ARG H . 18928 1
5 . 1 1 3 3 ARG C C 13 176.013 0.006 . 1 2 . . . 608 ARG C . 18928 1
6 . 1 1 3 3 ARG CA C 13 56.138 0.018 . 1 3 . . . 608 ARG CA . 18928 1
7 . 1 1 3 3 ARG CB C 13 30.943 0.031 . 1 3 . . . 608 ARG CB . 18928 1
8 . 1 1 3 3 ARG N N 15 122.728 0.008 . 1 12 . . . 608 ARG N . 18928 1
9 . 1 1 4 4 GLU H H 1 8.458 0.002 . 1 8 . . . 609 GLU H . 18928 1
10 . 1 1 4 4 GLU C C 13 176.279 0.023 . 1 2 . . . 609 GLU C . 18928 1
11 . 1 1 4 4 GLU CA C 13 56.568 0.012 . 1 3 . . . 609 GLU CA . 18928 1
12 . 1 1 4 4 GLU CB C 13 30.318 0.03 . 1 3 . . . 609 GLU CB . 18928 1
13 . 1 1 4 4 GLU N N 15 122.218 0.013 . 1 8 . . . 609 GLU N . 18928 1
14 . 1 1 5 5 ILE H H 1 8.196 0.001 . 1 10 . . . 610 ILE H . 18928 1
15 . 1 1 5 5 ILE C C 13 176.057 0.005 . 1 3 . . . 610 ILE C . 18928 1
16 . 1 1 5 5 ILE CA C 13 60.911 0.026 . 1 4 . . . 610 ILE CA . 18928 1
17 . 1 1 5 5 ILE CB C 13 38.736 0.017 . 1 4 . . . 610 ILE CB . 18928 1
18 . 1 1 5 5 ILE N N 15 122.436 0.031 . 1 10 . . . 610 ILE N . 18928 1
19 . 1 1 6 6 GLN H H 1 8.438 0.001 . 1 12 . . . 611 GLN H . 18928 1
20 . 1 1 6 6 GLN C C 13 173.346 0 . 1 1 . . . 611 GLN C . 18928 1
21 . 1 1 6 6 GLN CA C 13 53.367 0 . 1 1 . . . 611 GLN CA . 18928 1
22 . 1 1 6 6 GLN CB C 13 29.046 0 . 1 1 . . . 611 GLN CB . 18928 1
23 . 1 1 6 6 GLN N N 15 125.883 0.017 . 1 12 . . . 611 GLN N . 18928 1
24 . 1 1 8 8 PRO C C 13 176.44 0.009 . 1 2 . . . 613 PRO C . 18928 1
25 . 1 1 8 8 PRO CA C 13 62.982 0.032 . 1 3 . . . 613 PRO CA . 18928 1
26 . 1 1 8 8 PRO CB C 13 31.956 0.023 . 1 3 . . . 613 PRO CB . 18928 1
27 . 1 1 9 9 PHE H H 1 8.142 0.001 . 1 12 . . . 614 PHE H . 18928 1
28 . 1 1 9 9 PHE C C 13 175.064 0.008 . 1 3 . . . 614 PHE C . 18928 1
29 . 1 1 9 9 PHE CA C 13 57.543 0.035 . 1 3 . . . 614 PHE CA . 18928 1
30 . 1 1 9 9 PHE CB C 13 39.714 0.01 . 1 4 . . . 614 PHE CB . 18928 1
31 . 1 1 9 9 PHE N N 15 120.225 0.022 . 1 12 . . . 614 PHE N . 18928 1
32 . 1 1 10 10 LYS H H 1 8.051 0.001 . 1 11 . . . 615 LYS H . 18928 1
33 . 1 1 10 10 LYS C C 13 173.497 0 . 1 1 . . . 615 LYS C . 18928 1
34 . 1 1 10 10 LYS CA C 13 53.53 0 . 1 1 . . . 615 LYS CA . 18928 1
35 . 1 1 10 10 LYS CB C 13 33.162 0 . 1 1 . . . 615 LYS CB . 18928 1
36 . 1 1 10 10 LYS N N 15 125.484 0.013 . 1 11 . . . 615 LYS N . 18928 1
37 . 1 1 11 11 PRO C C 13 176.659 0 . 1 1 . . . 616 PRO C . 18928 1
38 . 1 1 11 11 PRO CA C 13 62.835 0.025 . 1 3 . . . 616 PRO CA . 18928 1
39 . 1 1 11 11 PRO CB C 13 32.275 0.036 . 1 3 . . . 616 PRO CB . 18928 1
40 . 1 1 12 12 LYS H H 1 8.449 0.001 . 1 10 . . . 617 LYS H . 18928 1
41 . 1 1 12 12 LYS C C 13 176.681 0.014 . 1 3 . . . 617 LYS C . 18928 1
42 . 1 1 12 12 LYS CA C 13 56.418 0.029 . 1 3 . . . 617 LYS CA . 18928 1
43 . 1 1 12 12 LYS CB C 13 33.085 0.027 . 1 4 . . . 617 LYS CB . 18928 1
44 . 1 1 12 12 LYS N N 15 122.016 0.018 . 1 10 . . . 617 LYS N . 18928 1
45 . 1 1 13 13 VAL H H 1 8.181 0.002 . 1 12 . . . 618 VAL H . 18928 1
46 . 1 1 13 13 VAL C C 13 175.996 0.011 . 1 3 . . . 618 VAL C . 18928 1
47 . 1 1 13 13 VAL CA C 13 61.945 0.027 . 1 4 . . . 618 VAL CA . 18928 1
48 . 1 1 13 13 VAL CB C 13 33.099 0.02 . 1 4 . . . 618 VAL CB . 18928 1
49 . 1 1 13 13 VAL N N 15 121.459 0.02 . 1 12 . . . 618 VAL N . 18928 1
50 . 1 1 14 14 SER H H 1 8.444 0.001 . 1 12 . . . 619 SER H . 18928 1
51 . 1 1 14 14 SER C C 13 174.877 0.01 . 1 2 . . . 619 SER C . 18928 1
52 . 1 1 14 14 SER CA C 13 58.273 0.029 . 1 4 . . . 619 SER CA . 18928 1
53 . 1 1 14 14 SER CB C 13 64.082 0.027 . 1 4 . . . 619 SER CB . 18928 1
54 . 1 1 14 14 SER N N 15 119.8 0.019 . 1 12 . . . 619 SER N . 18928 1
55 . 1 1 15 15 GLY H H 1 8.449 0.002 . 1 10 . . . 620 GLY H . 18928 1
56 . 1 1 15 15 GLY C C 13 174.116 0.007 . 1 3 . . . 620 GLY C . 18928 1
57 . 1 1 15 15 GLY CA C 13 45.303 0.004 . 1 4 . . . 620 GLY CA . 18928 1
58 . 1 1 15 15 GLY N N 15 111.025 0.014 . 1 10 . . . 620 GLY N . 18928 1
59 . 1 1 16 16 LYS H H 1 8.289 0.002 . 1 9 . . . 621 LYS H . 18928 1
60 . 1 1 16 16 LYS C C 13 177.257 0.009 . 1 3 . . . 621 LYS C . 18928 1
61 . 1 1 16 16 LYS CA C 13 56.501 0.023 . 1 4 . . . 621 LYS CA . 18928 1
62 . 1 1 16 16 LYS CB C 13 33.052 0.027 . 1 4 . . . 621 LYS CB . 18928 1
63 . 1 1 16 16 LYS N N 15 121.017 0.019 . 1 9 . . . 621 LYS N . 18928 1
64 . 1 1 17 17 GLY H H 1 8.54 0.005 . 1 11 . . . 622 GLY H . 18928 1
65 . 1 1 17 17 GLY C C 13 174.02 0.01 . 1 3 . . . 622 GLY C . 18928 1
66 . 1 1 17 17 GLY CA C 13 45.349 0.009 . 1 4 . . . 622 GLY CA . 18928 1
67 . 1 1 17 17 GLY N N 15 110.572 0.013 . 1 11 . . . 622 GLY N . 18928 1
68 . 1 1 18 18 ALA H H 1 8.168 0.002 . 1 9 . . . 623 ALA H . 18928 1
69 . 1 1 18 18 ALA C C 13 177.915 0.009 . 1 3 . . . 623 ALA C . 18928 1
70 . 1 1 18 18 ALA CA C 13 52.638 0.016 . 1 4 . . . 623 ALA CA . 18928 1
71 . 1 1 18 18 ALA CB C 13 19.397 0.046 . 1 4 . . . 623 ALA CB . 18928 1
72 . 1 1 18 18 ALA N N 15 123.776 0.015 . 1 9 . . . 623 ALA N . 18928 1
73 . 1 1 19 19 GLU H H 1 8.503 0.002 . 1 12 . . . 624 GLU H . 18928 1
74 . 1 1 19 19 GLU C C 13 176.167 0.008 . 1 3 . . . 624 GLU C . 18928 1
75 . 1 1 19 19 GLU CA C 13 56.882 0.015 . 1 4 . . . 624 GLU CA . 18928 1
76 . 1 1 19 19 GLU CB C 13 30.039 0.026 . 1 4 . . . 624 GLU CB . 18928 1
77 . 1 1 19 19 GLU N N 15 119.705 0.01 . 1 12 . . . 624 GLU N . 18928 1
78 . 1 1 20 20 ASN H H 1 8.271 0.002 . 1 12 . . . 625 ASN H . 18928 1
79 . 1 1 20 20 ASN C C 13 175.013 0.011 . 1 3 . . . 625 ASN C . 18928 1
80 . 1 1 20 20 ASN CA C 13 53.267 0.012 . 1 4 . . . 625 ASN CA . 18928 1
81 . 1 1 20 20 ASN CB C 13 39.027 0.013 . 1 4 . . . 625 ASN CB . 18928 1
82 . 1 1 20 20 ASN N N 15 118.835 0.014 . 1 12 . . . 625 ASN N . 18928 1
83 . 1 1 21 21 PHE H H 1 8.13 0.003 . 1 12 . . . 626 PHE H . 18928 1
84 . 1 1 21 21 PHE C C 13 175.595 0.013 . 1 3 . . . 626 PHE C . 18928 1
85 . 1 1 21 21 PHE CA C 13 58.084 0.038 . 1 3 . . . 626 PHE CA . 18928 1
86 . 1 1 21 21 PHE CB C 13 39.474 0.026 . 1 4 . . . 626 PHE CB . 18928 1
87 . 1 1 21 21 PHE N N 15 120.681 0.013 . 1 12 . . . 626 PHE N . 18928 1
88 . 1 1 22 22 ASP H H 1 8.265 0.002 . 1 11 . . . 627 ASP H . 18928 1
89 . 1 1 22 22 ASP C C 13 176.529 0.012 . 1 2 . . . 627 ASP C . 18928 1
90 . 1 1 22 22 ASP CA C 13 54.669 0.011 . 1 4 . . . 627 ASP CA . 18928 1
91 . 1 1 22 22 ASP CB C 13 41.178 0.009 . 1 4 . . . 627 ASP CB . 18928 1
92 . 1 1 22 22 ASP N N 15 121.261 0.014 . 1 11 . . . 627 ASP N . 18928 1
93 . 1 1 23 23 LYS H H 1 8.002 0.002 . 1 11 . . . 628 LYS H . 18928 1
94 . 1 1 23 23 LYS C C 13 176.419 0.003 . 1 3 . . . 628 LYS C . 18928 1
95 . 1 1 23 23 LYS CA C 13 56.833 0.017 . 1 4 . . . 628 LYS CA . 18928 1
96 . 1 1 23 23 LYS CB C 13 32.635 0.039 . 1 4 . . . 628 LYS CB . 18928 1
97 . 1 1 23 23 LYS N N 15 120.653 0.008 . 1 11 . . . 628 LYS N . 18928 1
98 . 1 1 24 24 PHE H H 1 8.085 0.001 . 1 12 . . . 629 PHE H . 18928 1
99 . 1 1 24 24 PHE C C 13 175.614 0.043 . 1 2 . . . 629 PHE C . 18928 1
100 . 1 1 24 24 PHE CA C 13 58.002 0.027 . 1 2 . . . 629 PHE CA . 18928 1
101 . 1 1 24 24 PHE CB C 13 39.406 0.009 . 1 4 . . . 629 PHE CB . 18928 1
102 . 1 1 24 24 PHE N N 15 119.324 0.02 . 1 12 . . . 629 PHE N . 18928 1
103 . 1 1 25 25 PHE H H 1 7.997 0.003 . 1 8 . . . 630 PHE H . 18928 1
104 . 1 1 25 25 PHE C C 13 175.754 0.019 . 1 3 . . . 630 PHE C . 18928 1
105 . 1 1 25 25 PHE CA C 13 58.032 0.025 . 1 2 . . . 630 PHE CA . 18928 1
106 . 1 1 25 25 PHE CB C 13 39.684 0.009 . 1 4 . . . 630 PHE CB . 18928 1
107 . 1 1 25 25 PHE N N 15 120.611 0.023 . 1 8 . . . 630 PHE N . 18928 1
108 . 1 1 26 26 THR H H 1 8.05 0.002 . 1 11 . . . 631 THR H . 18928 1
109 . 1 1 26 26 THR C C 13 174.289 0.014 . 1 3 . . . 631 THR C . 18928 1
110 . 1 1 26 26 THR CA C 13 61.915 0.038 . 1 4 . . . 631 THR CA . 18928 1
111 . 1 1 26 26 THR CB C 13 69.769 0.045 . 1 4 . . . 631 THR CB . 18928 1
112 . 1 1 26 26 THR N N 15 115.803 0.017 . 1 11 . . . 631 THR N . 18928 1
113 . 1 1 27 27 ARG H H 1 8.255 0.002 . 1 12 . . . 632 ARG H . 18928 1
114 . 1 1 27 27 ARG C C 13 176.665 0.011 . 1 3 . . . 632 ARG C . 18928 1
115 . 1 1 27 27 ARG CA C 13 56.42 0.022 . 1 4 . . . 632 ARG CA . 18928 1
116 . 1 1 27 27 ARG CB C 13 30.649 0.025 . 1 4 . . . 632 ARG CB . 18928 1
117 . 1 1 27 27 ARG N N 15 123.289 0.015 . 1 12 . . . 632 ARG N . 18928 1
118 . 1 1 28 28 GLY H H 1 8.382 0.002 . 1 11 . . . 633 GLY H . 18928 1
119 . 1 1 28 28 GLY C C 13 173.661 0.013 . 1 3 . . . 633 GLY C . 18928 1
120 . 1 1 28 28 GLY CA C 13 45.128 0.001 . 1 5 . . . 633 GLY CA . 18928 1
121 . 1 1 28 28 GLY N N 15 109.796 0.011 . 1 11 . . . 633 GLY N . 18928 1
122 . 1 1 29 29 GLN H H 1 8.12 0.001 . 1 10 . . . 634 GLN H . 18928 1
123 . 1 1 29 29 GLN C C 13 173.858 0 . 1 1 . . . 634 GLN C . 18928 1
124 . 1 1 29 29 GLN CA C 13 53.518 0 . 1 1 . . . 634 GLN CA . 18928 1
125 . 1 1 29 29 GLN CB C 13 29.135 0 . 1 1 . . . 634 GLN CB . 18928 1
126 . 1 1 29 29 GLN N N 15 120.71 0.021 . 1 10 . . . 634 GLN N . 18928 1
127 . 1 1 30 30 PRO C C 13 176.555 0.013 . 1 2 . . . 635 PRO C . 18928 1
128 . 1 1 30 30 PRO CA C 13 63.12 0.026 . 1 3 . . . 635 PRO CA . 18928 1
129 . 1 1 30 30 PRO CB C 13 32.139 0.016 . 1 3 . . . 635 PRO CB . 18928 1
130 . 1 1 31 31 VAL H H 1 8.227 0.001 . 1 10 . . . 636 VAL H . 18928 1
131 . 1 1 31 31 VAL C C 13 175.965 0.016 . 1 3 . . . 636 VAL C . 18928 1
132 . 1 1 31 31 VAL CA C 13 62.278 0.018 . 1 3 . . . 636 VAL CA . 18928 1
133 . 1 1 31 31 VAL CB C 13 32.809 0.028 . 1 3 . . . 636 VAL CB . 18928 1
134 . 1 1 31 31 VAL N N 15 120.922 0.022 . 1 10 . . . 636 VAL N . 18928 1
135 . 1 1 32 32 LEU H H 1 8.307 0.001 . 1 12 . . . 637 LEU H . 18928 1
136 . 1 1 32 32 LEU C C 13 176.803 0.015 . 1 3 . . . 637 LEU C . 18928 1
137 . 1 1 32 32 LEU CA C 13 54.852 0.013 . 1 4 . . . 637 LEU CA . 18928 1
138 . 1 1 32 32 LEU CB C 13 42.585 0.015 . 1 4 . . . 637 LEU CB . 18928 1
139 . 1 1 32 32 LEU N N 15 126.596 0.017 . 1 12 . . . 637 LEU N . 18928 1
140 . 1 1 33 33 GLU H H 1 8.307 0.001 . 1 12 . . . 638 GLU H . 18928 1
141 . 1 1 33 33 GLU C C 13 173.813 0 . 1 1 . . . 638 GLU C . 18928 1
142 . 1 1 33 33 GLU CA C 13 54.214 0 . 1 1 . . . 638 GLU CA . 18928 1
143 . 1 1 33 33 GLU CB C 13 29.797 0 . 1 1 . . . 638 GLU CB . 18928 1
144 . 1 1 33 33 GLU N N 15 123.184 0.019 . 1 12 . . . 638 GLU N . 18928 1
145 . 1 1 35 35 PRO C C 13 176.819 0.001 . 1 2 . . . 640 PRO C . 18928 1
146 . 1 1 35 35 PRO CA C 13 63.218 0.035 . 1 3 . . . 640 PRO CA . 18928 1
147 . 1 1 35 35 PRO CB C 13 32.07 0.022 . 1 3 . . . 640 PRO CB . 18928 1
148 . 1 1 36 36 ASP H H 1 8.318 0.001 . 1 12 . . . 641 ASP H . 18928 1
149 . 1 1 36 36 ASP C C 13 176.317 0.014 . 1 3 . . . 641 ASP C . 18928 1
150 . 1 1 36 36 ASP CA C 13 54.534 0.011 . 1 4 . . . 641 ASP CA . 18928 1
151 . 1 1 36 36 ASP CB C 13 41.096 0.012 . 1 4 . . . 641 ASP CB . 18928 1
152 . 1 1 36 36 ASP N N 15 119.317 0.012 . 1 12 . . . 641 ASP N . 18928 1
153 . 1 1 37 37 GLN H H 1 8.191 0.001 . 1 12 . . . 642 GLN H . 18928 1
154 . 1 1 37 37 GLN C C 13 175.769 0.016 . 1 3 . . . 642 GLN C . 18928 1
155 . 1 1 37 37 GLN CA C 13 55.916 0.023 . 1 2 . . . 642 GLN CA . 18928 1
156 . 1 1 37 37 GLN CB C 13 29.559 0.015 . 1 3 . . . 642 GLN CB . 18928 1
157 . 1 1 37 37 GLN N N 15 119.772 0.013 . 1 12 . . . 642 GLN N . 18928 1
158 . 1 1 38 38 LEU H H 1 8.192 0.001 . 1 8 . . . 643 LEU H . 18928 1
159 . 1 1 38 38 LEU C C 13 177.146 0.009 . 1 3 . . . 643 LEU C . 18928 1
160 . 1 1 38 38 LEU CA C 13 55.499 0.028 . 1 3 . . . 643 LEU CA . 18928 1
161 . 1 1 38 38 LEU CB C 13 42.342 0.016 . 1 4 . . . 643 LEU CB . 18928 1
162 . 1 1 38 38 LEU N N 15 122.909 0.016 . 1 8 . . . 643 LEU N . 18928 1
163 . 1 1 39 39 VAL H H 1 8.065 0.001 . 1 12 . . . 644 VAL H . 18928 1
164 . 1 1 39 39 VAL C C 13 176.073 0.008 . 1 3 . . . 644 VAL C . 18928 1
165 . 1 1 39 39 VAL CA C 13 62.501 0.027 . 1 4 . . . 644 VAL CA . 18928 1
166 . 1 1 39 39 VAL CB C 13 32.714 0.01 . 1 4 . . . 644 VAL CB . 18928 1
167 . 1 1 39 39 VAL N N 15 122.027 0.017 . 1 12 . . . 644 VAL N . 18928 1
168 . 1 1 40 40 ILE H H 1 8.171 0.004 . 1 12 . . . 645 ILE H . 18928 1
169 . 1 1 40 40 ILE C C 13 175.79 0.007 . 1 3 . . . 645 ILE C . 18928 1
170 . 1 1 40 40 ILE CA C 13 60.955 0.021 . 1 4 . . . 645 ILE CA . 18928 1
171 . 1 1 40 40 ILE CB C 13 38.548 0.009 . 1 4 . . . 645 ILE CB . 18928 1
172 . 1 1 40 40 ILE N N 15 125.151 0.024 . 1 12 . . . 645 ILE N . 18928 1
173 . 1 1 41 41 ALA H H 1 8.299 0.001 . 1 12 . . . 646 ALA H . 18928 1
174 . 1 1 41 41 ALA C C 13 177.151 0.012 . 1 3 . . . 646 ALA C . 18928 1
175 . 1 1 41 41 ALA CA C 13 52.483 0.017 . 1 2 . . . 646 ALA CA . 18928 1
176 . 1 1 41 41 ALA CB C 13 19.568 0.039 . 1 4 . . . 646 ALA CB . 18928 1
177 . 1 1 41 41 ALA N N 15 127.854 0.02 . 1 12 . . . 646 ALA N . 18928 1
178 . 1 1 42 42 ASN H H 1 8.336 0.001 . 1 9 . . . 647 ASN H . 18928 1
179 . 1 1 42 42 ASN C C 13 175.241 0.009 . 1 3 . . . 647 ASN C . 18928 1
180 . 1 1 42 42 ASN CA C 13 53.253 0.011 . 1 3 . . . 647 ASN CA . 18928 1
181 . 1 1 42 42 ASN CB C 13 38.911 0.011 . 1 3 . . . 647 ASN CB . 18928 1
182 . 1 1 42 42 ASN N N 15 118.153 0.016 . 1 9 . . . 647 ASN N . 18928 1
183 . 1 1 43 43 ILE H H 1 8.04 0.001 . 1 10 . . . 648 ILE H . 18928 1
184 . 1 1 43 43 ILE C C 13 175.776 0.015 . 1 3 . . . 648 ILE C . 18928 1
185 . 1 1 43 43 ILE CA C 13 61.378 0.028 . 1 4 . . . 648 ILE CA . 18928 1
186 . 1 1 43 43 ILE CB C 13 39.035 0.017 . 1 3 . . . 648 ILE CB . 18928 1
187 . 1 1 43 43 ILE N N 15 120.684 0.016 . 1 10 . . . 648 ILE N . 18928 1
188 . 1 1 44 44 ASP H H 1 8.413 0.001 . 1 12 . . . 649 ASP H . 18928 1
189 . 1 1 44 44 ASP C C 13 176.244 0.004 . 1 2 . . . 649 ASP C . 18928 1
190 . 1 1 44 44 ASP CA C 13 54.417 0.015 . 1 4 . . . 649 ASP CA . 18928 1
191 . 1 1 44 44 ASP CB C 13 41.292 0.016 . 1 4 . . . 649 ASP CB . 18928 1
192 . 1 1 44 44 ASP N N 15 123.866 0.01 . 1 12 . . . 649 ASP N . 18928 1
193 . 1 1 45 45 GLN H H 1 8.297 0.001 . 1 11 . . . 650 GLN H . 18928 1
194 . 1 1 45 45 GLN C C 13 176.187 0.008 . 1 3 . . . 650 GLN C . 18928 1
195 . 1 1 45 45 GLN CA C 13 56.072 0.02 . 1 4 . . . 650 GLN CA . 18928 1
196 . 1 1 45 45 GLN CB C 13 29.304 0.038 . 1 4 . . . 650 GLN CB . 18928 1
197 . 1 1 45 45 GLN N N 15 121.3 0.019 . 1 11 . . . 650 GLN N . 18928 1
198 . 1 1 46 46 SER H H 1 8.395 0.001 . 1 12 . . . 651 SER H . 18928 1
199 . 1 1 46 46 SER C C 13 174.37 0.011 . 1 3 . . . 651 SER C . 18928 1
200 . 1 1 46 46 SER CA C 13 59.089 0.033 . 1 4 . . . 651 SER CA . 18928 1
201 . 1 1 46 46 SER CB C 13 63.777 0.033 . 1 4 . . . 651 SER CB . 18928 1
202 . 1 1 46 46 SER N N 15 116.869 0.009 . 1 12 . . . 651 SER N . 18928 1
203 . 1 1 47 47 ASP H H 1 8.256 0.002 . 1 12 . . . 652 ASP H . 18928 1
204 . 1 1 47 47 ASP C C 13 175.93 0.008 . 1 2 . . . 652 ASP C . 18928 1
205 . 1 1 47 47 ASP CA C 13 54.423 0.009 . 1 4 . . . 652 ASP CA . 18928 1
206 . 1 1 47 47 ASP CB C 13 41.002 0.012 . 1 4 . . . 652 ASP CB . 18928 1
207 . 1 1 47 47 ASP N N 15 121.678 0.011 . 1 12 . . . 652 ASP N . 18928 1
208 . 1 1 48 48 PHE H H 1 8.028 0.003 . 1 11 . . . 653 PHE H . 18928 1
209 . 1 1 48 48 PHE C C 13 175.815 0.025 . 1 3 . . . 653 PHE C . 18928 1
210 . 1 1 48 48 PHE CA C 13 57.839 0.011 . 1 3 . . . 653 PHE CA . 18928 1
211 . 1 1 48 48 PHE CB C 13 39.577 0.015 . 1 5 . . . 653 PHE CB . 18928 1
212 . 1 1 48 48 PHE N N 15 119.992 0.024 . 1 11 . . . 653 PHE N . 18928 1
213 . 1 1 49 49 GLU H H 1 8.298 0.002 . 1 11 . . . 654 GLU H . 18928 1
214 . 1 1 49 49 GLU C C 13 176.635 0.01 . 1 3 . . . 654 GLU C . 18928 1
215 . 1 1 49 49 GLU CA C 13 56.894 0.017 . 1 4 . . . 654 GLU CA . 18928 1
216 . 1 1 49 49 GLU CB C 13 30.218 0.032 . 1 4 . . . 654 GLU CB . 18928 1
217 . 1 1 49 49 GLU N N 15 122.584 0.011 . 1 11 . . . 654 GLU N . 18928 1
218 . 1 1 50 50 GLY H H 1 7.932 0.002 . 1 11 . . . 655 GLY H . 18928 1
219 . 1 1 50 50 GLY C C 13 174.01 0.01 . 1 3 . . . 655 GLY C . 18928 1
220 . 1 1 50 50 GLY CA C 13 45.356 0.005 . 1 4 . . . 655 GLY CA . 18928 1
221 . 1 1 50 50 GLY N N 15 109.216 0.015 . 1 11 . . . 655 GLY N . 18928 1
222 . 1 1 51 51 PHE H H 1 8.016 0.002 . 1 8 . . . 656 PHE H . 18928 1
223 . 1 1 51 51 PHE C C 13 175.697 0 . 1 1 . . . 656 PHE C . 18928 1
224 . 1 1 51 51 PHE CA C 13 58.032 0.025 . 1 3 . . . 656 PHE CA . 18928 1
225 . 1 1 51 51 PHE CB C 13 39.705 0.013 . 1 4 . . . 656 PHE CB . 18928 1
226 . 1 1 51 51 PHE N N 15 119.868 0.02 . 1 8 . . . 656 PHE N . 18928 1
227 . 1 1 52 52 GLU H H 1 8.424 0.003 . 1 10 . . . 657 GLU H . 18928 1
228 . 1 1 52 52 GLU C C 13 175.726 0.014 . 1 2 . . . 657 GLU C . 18928 1
229 . 1 1 52 52 GLU CA C 13 56.614 0.029 . 1 4 . . . 657 GLU CA . 18928 1
230 . 1 1 52 52 GLU CB C 13 30.255 0.034 . 1 4 . . . 657 GLU CB . 18928 1
231 . 1 1 52 52 GLU N N 15 121.893 0.014 . 1 10 . . . 657 GLU N . 18928 1
232 . 1 1 53 53 TYR H H 1 8.052 0.001 . 1 11 . . . 658 TYR H . 18928 1
233 . 1 1 53 53 TYR C C 13 175.42 0.007 . 1 3 . . . 658 TYR C . 18928 1
234 . 1 1 53 53 TYR CA C 13 58.046 0.033 . 1 3 . . . 658 TYR CA . 18928 1
235 . 1 1 53 53 TYR CB C 13 38.842 0.024 . 1 4 . . . 658 TYR CB . 18928 1
236 . 1 1 53 53 TYR N N 15 120.993 0.023 . 1 11 . . . 658 TYR N . 18928 1
237 . 1 1 54 54 VAL H H 1 7.81 0.001 . 1 11 . . . 659 VAL H . 18928 1
238 . 1 1 54 54 VAL C C 13 174.909 0.012 . 1 3 . . . 659 VAL C . 18928 1
239 . 1 1 54 54 VAL CA C 13 61.827 0 . 1 1 . . . 659 VAL CA . 18928 1
240 . 1 1 54 54 VAL CB C 13 33.112 0.007 . 1 2 . . . 659 VAL CB . 18928 1
241 . 1 1 54 54 VAL N N 15 122.523 0.021 . 1 11 . . . 659 VAL N . 18928 1
242 . 1 1 55 55 ASN H H 1 8.339 0.002 . 1 7 . . . 660 ASN H . 18928 1
243 . 1 1 55 55 ASN C C 13 173.868 0 . 1 1 . . . 660 ASN C . 18928 1
244 . 1 1 55 55 ASN CA C 13 51.182 0 . 1 1 . . . 660 ASN CA . 18928 1
245 . 1 1 55 55 ASN CB C 13 39.015 0 . 1 1 . . . 660 ASN CB . 18928 1
246 . 1 1 55 55 ASN N N 15 123.47 0.03 . 1 7 . . . 660 ASN N . 18928 1
247 . 1 1 56 56 PRO C C 13 177.043 0.015 . 1 2 . . . 661 PRO C . 18928 1
248 . 1 1 56 56 PRO CA C 13 63.766 0.032 . 1 3 . . . 661 PRO CA . 18928 1
249 . 1 1 56 56 PRO CB C 13 32.157 0.018 . 1 3 . . . 661 PRO CB . 18928 1
250 . 1 1 57 57 GLN H H 1 8.26 0.002 . 1 12 . . . 662 GLN H . 18928 1
251 . 1 1 57 57 GLN C C 13 175.847 0.017 . 1 3 . . . 662 GLN C . 18928 1
252 . 1 1 57 57 GLN CA C 13 56.276 0.018 . 1 3 . . . 662 GLN CA . 18928 1
253 . 1 1 57 57 GLN CB C 13 29.144 0.031 . 1 3 . . . 662 GLN CB . 18928 1
254 . 1 1 57 57 GLN N N 15 118.207 0.009 . 1 12 . . . 662 GLN N . 18928 1
255 . 1 1 58 58 PHE H H 1 7.942 0.002 . 1 10 . . . 663 PHE H . 18928 1
256 . 1 1 58 58 PHE C C 13 175.267 0.012 . 1 2 . . . 663 PHE C . 18928 1
257 . 1 1 58 58 PHE CA C 13 57.25 0.018 . 1 3 . . . 663 PHE CA . 18928 1
258 . 1 1 58 58 PHE CB C 13 39.587 0.009 . 1 3 . . . 663 PHE CB . 18928 1
259 . 1 1 58 58 PHE N N 15 119.679 0.022 . 1 10 . . . 663 PHE N . 18928 1
260 . 1 1 59 59 VAL H H 1 7.793 0.001 . 1 10 . . . 664 VAL H . 18928 1
261 . 1 1 59 59 VAL C C 13 175.204 0.011 . 1 3 . . . 664 VAL C . 18928 1
262 . 1 1 59 59 VAL CA C 13 62.127 0 . 1 1 . . . 664 VAL CA . 18928 1
263 . 1 1 59 59 VAL CB C 13 32.866 0 . 1 1 . . . 664 VAL CB . 18928 1
264 . 1 1 59 59 VAL N N 15 121.739 0.026 . 1 10 . . . 664 VAL N . 18928 1
265 . 1 1 60 60 HIS H H 1 8.353 0.002 . 1 6 . . . 665 HIS H . 18928 1
266 . 1 1 60 60 HIS C C 13 172.726 0 . 1 1 . . . 665 HIS C . 18928 1
267 . 1 1 60 60 HIS CA C 13 53.646 0 . 1 1 . . . 665 HIS CA . 18928 1
268 . 1 1 60 60 HIS CB C 13 29.371 0 . 1 1 . . . 665 HIS CB . 18928 1
269 . 1 1 60 60 HIS N N 15 123.39 0.016 . 1 6 . . . 665 HIS N . 18928 1
270 . 1 1 61 61 PRO C C 13 176.767 0.004 . 1 2 . . . 666 PRO C . 18928 1
271 . 1 1 61 61 PRO CA C 13 63.187 0.038 . 1 3 . . . 666 PRO CA . 18928 1
272 . 1 1 61 61 PRO CB C 13 32.271 0.022 . 1 3 . . . 666 PRO CB . 18928 1
273 . 1 1 62 62 ILE H H 1 8.39 0.002 . 1 12 . . . 667 ILE H . 18928 1
274 . 1 1 62 62 ILE C C 13 176.294 0.016 . 1 3 . . . 667 ILE C . 18928 1
275 . 1 1 62 62 ILE CA C 13 61.239 0.023 . 1 4 . . . 667 ILE CA . 18928 1
276 . 1 1 62 62 ILE CB C 13 38.684 0.018 . 1 4 . . . 667 ILE CB . 18928 1
277 . 1 1 62 62 ILE N N 15 121.559 0.014 . 1 12 . . . 667 ILE N . 18928 1
278 . 1 1 63 63 LEU H H 1 8.335 0.002 . 1 12 . . . 668 LEU H . 18928 1
279 . 1 1 63 63 LEU C C 13 177.158 0.012 . 1 3 . . . 668 LEU C . 18928 1
280 . 1 1 63 63 LEU CA C 13 54.966 0.017 . 1 4 . . . 668 LEU CA . 18928 1
281 . 1 1 63 63 LEU CB C 13 42.413 0.018 . 1 4 . . . 668 LEU CB . 18928 1
282 . 1 1 63 63 LEU N N 15 126.532 0.018 . 1 12 . . . 668 LEU N . 18928 1
283 . 1 1 64 64 GLN H H 1 8.413 0.001 . 1 11 . . . 669 GLN H . 18928 1
284 . 1 1 64 64 GLN C C 13 175.914 0.033 . 1 3 . . . 669 GLN C . 18928 1
285 . 1 1 64 64 GLN CA C 13 55.939 0.044 . 1 3 . . . 669 GLN CA . 18928 1
286 . 1 1 64 64 GLN CB C 13 29.513 0.044 . 1 3 . . . 669 GLN CB . 18928 1
287 . 1 1 64 64 GLN N N 15 121.871 0.022 . 1 11 . . . 669 GLN N . 18928 1
288 . 1 1 65 65 SER H H 1 8.285 0.004 . 1 11 . . . 670 SER H . 18928 1
289 . 1 1 65 65 SER C C 13 174.151 0.01 . 1 3 . . . 670 SER C . 18928 1
290 . 1 1 65 65 SER CA C 13 58.286 0.027 . 1 4 . . . 670 SER CA . 18928 1
291 . 1 1 65 65 SER CB C 13 63.815 0.031 . 1 4 . . . 670 SER CB . 18928 1
292 . 1 1 65 65 SER N N 15 116.847 0.039 . 1 11 . . . 670 SER N . 18928 1
293 . 1 1 66 66 ALA H H 1 8.34 0.001 . 1 12 . . . 671 ALA H . 18928 1
294 . 1 1 66 66 ALA C C 13 177.601 0.029 . 1 3 . . . 671 ALA C . 18928 1
295 . 1 1 66 66 ALA CA C 13 52.533 0.019 . 1 3 . . . 671 ALA CA . 18928 1
296 . 1 1 66 66 ALA CB C 13 19.414 0.046 . 1 4 . . . 671 ALA CB . 18928 1
297 . 1 1 66 66 ALA N N 15 126.078 0.006 . 1 12 . . . 671 ALA N . 18928 1
298 . 1 1 67 67 VAL H H 1 8.058 0.001 . 1 11 . . . 672 VAL H . 18928 1
299 . 1 1 67 67 VAL C C 13 176.088 0.01 . 1 3 . . . 672 VAL C . 18928 1
300 . 1 1 67 67 VAL CA C 13 62.306 0.025 . 1 4 . . . 672 VAL CA . 18928 1
301 . 1 1 67 67 VAL CB C 13 32.831 0.015 . 1 4 . . . 672 VAL CB . 18928 1
302 . 1 1 67 67 VAL N N 15 118.682 0.017 . 1 11 . . . 672 VAL N . 18928 1
stop_
save_