###################################
# 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 51015
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'CON1 assigned shifts 25C'
_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 '2D 1H-15N HSQC' . . . 51015 1
2 '3D CBCA(CO)NH' . . . 51015 1
3 '3D HNCO' . . . 51015 1
4 '3D HN(CA)CO' . . . 51015 1
5 '3D HNCACB' . . . 51015 1
8 '3D HACA(CON)CAHA' . . . 51015 1
9 '3D HACACON' . . . 51015 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 51015 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 5 5 ALA HA H 1 4.330 0.000 . 1 . . . . . 5 ALA HA . 51015 1
2 . 1 . 1 5 5 ALA C C 13 178.002 0.006 . 1 . . . . . 5 ALA C . 51015 1
3 . 1 . 1 6 6 SER H H 1 8.311 0.000 . 1 . . . . . 6 SER H . 51015 1
4 . 1 . 1 6 6 SER HA H 1 4.473 0.003 . 1 . . . . . 6 SER HA . 51015 1
5 . 1 . 1 6 6 SER C C 13 174.858 0.001 . 1 . . . . . 6 SER C . 51015 1
6 . 1 . 1 6 6 SER N N 15 114.887 0.009 . 1 . . . . . 6 SER N . 51015 1
7 . 1 . 1 7 7 SER HA H 1 4.472 0.001 . 1 . . . . . 7 SER HA . 51015 1
8 . 1 . 1 7 7 SER C C 13 174.330 0.016 . 1 . . . . . 7 SER C . 51015 1
9 . 1 . 1 7 7 SER CA C 13 58.403 0.000 . 1 . . . . . 7 SER CA . 51015 1
10 . 1 . 1 7 7 SER CB C 13 63.804 0.000 . 1 . . . . . 7 SER CB . 51015 1
11 . 1 . 1 7 7 SER N N 15 117.805 0.000 . 1 . . . . . 7 SER N . 51015 1
12 . 1 . 1 8 8 ALA H H 1 8.272 0.006 . 1 . . . . . 8 ALA H . 51015 1
13 . 1 . 1 8 8 ALA HA H 1 4.364 0.003 . 1 . . . . . 8 ALA HA . 51015 1
14 . 1 . 1 8 8 ALA C C 13 177.788 0.012 . 1 . . . . . 8 ALA C . 51015 1
15 . 1 . 1 8 8 ALA CA C 13 52.895 0.019 . 1 . . . . . 8 ALA CA . 51015 1
16 . 1 . 1 8 8 ALA CB C 13 19.150 0.050 . 1 . . . . . 8 ALA CB . 51015 1
17 . 1 . 1 8 8 ALA N N 15 125.695 0.087 . 1 . . . . . 8 ALA N . 51015 1
18 . 1 . 1 9 9 SER H H 1 8.221 0.003 . 1 . . . . . 9 SER H . 51015 1
19 . 1 . 1 9 9 SER HA H 1 4.459 0.006 . 1 . . . . . 9 SER HA . 51015 1
20 . 1 . 1 9 9 SER C C 13 174.515 0.007 . 1 . . . . . 9 SER C . 51015 1
21 . 1 . 1 9 9 SER CA C 13 58.644 0.071 . 1 . . . . . 9 SER CA . 51015 1
22 . 1 . 1 9 9 SER CB C 13 63.862 0.006 . 1 . . . . . 9 SER CB . 51015 1
23 . 1 . 1 9 9 SER N N 15 115.011 0.046 . 1 . . . . . 9 SER N . 51015 1
24 . 1 . 1 10 10 VAL H H 1 8.052 0.002 . 1 . . . . . 10 VAL H . 51015 1
25 . 1 . 1 10 10 VAL HA H 1 4.146 0.002 . 1 . . . . . 10 VAL HA . 51015 1
26 . 1 . 1 10 10 VAL C C 13 175.950 0.009 . 1 . . . . . 10 VAL C . 51015 1
27 . 1 . 1 10 10 VAL CA C 13 62.356 0.000 . 1 . . . . . 10 VAL CA . 51015 1
28 . 1 . 1 10 10 VAL CB C 13 32.922 0.000 . 1 . . . . . 10 VAL CB . 51015 1
29 . 1 . 1 10 10 VAL N N 15 121.640 0.049 . 1 . . . . . 10 VAL N . 51015 1
30 . 1 . 1 11 11 GLN H H 1 8.421 0.002 . 1 . . . . . 11 GLN H . 51015 1
31 . 1 . 1 11 11 GLN HA H 1 4.383 0.002 . 1 . . . . . 11 GLN HA . 51015 1
32 . 1 . 1 11 11 GLN C C 13 175.800 0.013 . 1 . . . . . 11 GLN C . 51015 1
33 . 1 . 1 11 11 GLN CA C 13 55.750 0.012 . 1 . . . . . 11 GLN CA . 51015 1
34 . 1 . 1 11 11 GLN CB C 13 29.541 0.026 . 1 . . . . . 11 GLN CB . 51015 1
35 . 1 . 1 11 11 GLN N N 15 124.433 0.026 . 1 . . . . . 11 GLN N . 51015 1
36 . 1 . 1 12 12 VAL H H 1 8.192 0.002 . 1 . . . . . 12 VAL H . 51015 1
37 . 1 . 1 12 12 VAL HA H 1 4.098 0.002 . 1 . . . . . 12 VAL HA . 51015 1
38 . 1 . 1 12 12 VAL C C 13 175.978 0.014 . 1 . . . . . 12 VAL C . 51015 1
39 . 1 . 1 12 12 VAL CA C 13 62.592 0.007 . 1 . . . . . 12 VAL CA . 51015 1
40 . 1 . 1 12 12 VAL CB C 13 32.875 0.051 . 1 . . . . . 12 VAL CB . 51015 1
41 . 1 . 1 12 12 VAL N N 15 122.136 0.043 . 1 . . . . . 12 VAL N . 51015 1
42 . 1 . 1 13 13 GLU H H 1 8.492 0.002 . 1 . . . . . 13 GLU H . 51015 1
43 . 1 . 1 13 13 GLU HA H 1 4.331 0.003 . 1 . . . . . 13 GLU HA . 51015 1
44 . 1 . 1 13 13 GLU C C 13 176.407 0.006 . 1 . . . . . 13 GLU C . 51015 1
45 . 1 . 1 13 13 GLU CA C 13 56.643 0.040 . 1 . . . . . 13 GLU CA . 51015 1
46 . 1 . 1 13 13 GLU CB C 13 30.302 0.043 . 1 . . . . . 13 GLU CB . 51015 1
47 . 1 . 1 13 13 GLU N N 15 124.844 0.014 . 1 . . . . . 13 GLU N . 51015 1
48 . 1 . 1 14 14 VAL H H 1 8.238 0.001 . 1 . . . . . 14 VAL H . 51015 1
49 . 1 . 1 14 14 VAL HA H 1 4.078 0.002 . 1 . . . . . 14 VAL HA . 51015 1
50 . 1 . 1 14 14 VAL C C 13 175.892 0.015 . 1 . . . . . 14 VAL C . 51015 1
51 . 1 . 1 14 14 VAL CA C 13 62.462 0.014 . 1 . . . . . 14 VAL CA . 51015 1
52 . 1 . 1 14 14 VAL CB C 13 32.912 0.029 . 1 . . . . . 14 VAL CB . 51015 1
53 . 1 . 1 14 14 VAL N N 15 121.963 0.027 . 1 . . . . . 14 VAL N . 51015 1
54 . 1 . 1 15 15 ALA H H 1 8.355 0.002 . 1 . . . . . 15 ALA H . 51015 1
55 . 1 . 1 15 15 ALA HA H 1 4.299 0.003 . 1 . . . . . 15 ALA HA . 51015 1
56 . 1 . 1 15 15 ALA C C 13 177.768 0.008 . 1 . . . . . 15 ALA C . 51015 1
57 . 1 . 1 15 15 ALA CA C 13 52.704 0.033 . 1 . . . . . 15 ALA CA . 51015 1
58 . 1 . 1 15 15 ALA CB C 13 19.227 0.001 . 1 . . . . . 15 ALA CB . 51015 1
59 . 1 . 1 15 15 ALA N N 15 127.793 0.031 . 1 . . . . . 15 ALA N . 51015 1
60 . 1 . 1 16 16 GLU H H 1 8.453 0.001 . 1 . . . . . 16 GLU H . 51015 1
61 . 1 . 1 16 16 GLU HA H 1 4.247 0.007 . 1 . . . . . 16 GLU HA . 51015 1
62 . 1 . 1 16 16 GLU C C 13 176.494 0.021 . 1 . . . . . 16 GLU C . 51015 1
63 . 1 . 1 16 16 GLU CA C 13 56.712 0.000 . 1 . . . . . 16 GLU CA . 51015 1
64 . 1 . 1 16 16 GLU CB C 13 30.366 0.023 . 1 . . . . . 16 GLU CB . 51015 1
65 . 1 . 1 16 16 GLU N N 15 120.144 0.037 . 1 . . . . . 16 GLU N . 51015 1
66 . 1 . 1 17 17 LYS H H 1 8.320 0.002 . 1 . . . . . 17 LYS H . 51015 1
67 . 1 . 1 17 17 LYS HA H 1 4.305 0.002 . 1 . . . . . 17 LYS HA . 51015 1
68 . 1 . 1 17 17 LYS C C 13 176.590 0.012 . 1 . . . . . 17 LYS C . 51015 1
69 . 1 . 1 17 17 LYS CA C 13 56.688 0.000 . 1 . . . . . 17 LYS CA . 51015 1
70 . 1 . 1 17 17 LYS CB C 13 32.955 0.013 . 1 . . . . . 17 LYS CB . 51015 1
71 . 1 . 1 17 17 LYS N N 15 122.485 0.056 . 1 . . . . . 17 LYS N . 51015 1
72 . 1 . 1 18 18 VAL H H 1 8.110 0.000 . 1 . . . . . 18 VAL H . 51015 1
73 . 1 . 1 18 18 VAL HA H 1 4.067 0.000 . 1 . . . . . 18 VAL HA . 51015 1
74 . 1 . 1 18 18 VAL C C 13 176.160 0.009 . 1 . . . . . 18 VAL C . 51015 1
75 . 1 . 1 18 18 VAL CA C 13 62.625 0.002 . 1 . . . . . 18 VAL CA . 51015 1
76 . 1 . 1 18 18 VAL CB C 13 32.914 0.025 . 1 . . . . . 18 VAL CB . 51015 1
77 . 1 . 1 18 18 VAL N N 15 121.613 0.046 . 1 . . . . . 18 VAL N . 51015 1
78 . 1 . 1 19 19 GLN H H 1 8.478 0.002 . 1 . . . . . 19 GLN H . 51015 1
79 . 1 . 1 19 19 GLN HA H 1 4.352 0.002 . 1 . . . . . 19 GLN HA . 51015 1
80 . 1 . 1 19 19 GLN C C 13 175.880 0.044 . 1 . . . . . 19 GLN C . 51015 1
81 . 1 . 1 19 19 GLN CA C 13 55.784 0.043 . 1 . . . . . 19 GLN CA . 51015 1
82 . 1 . 1 19 19 GLN CB C 13 29.519 0.000 . 1 . . . . . 19 GLN CB . 51015 1
83 . 1 . 1 19 19 GLN N N 15 124.662 0.061 . 1 . . . . . 19 GLN N . 51015 1
84 . 1 . 1 20 20 LYS H H 1 8.456 0.060 . 1 . . . . . 20 LYS H . 51015 1
85 . 1 . 1 20 20 LYS HA H 1 4.287 0.001 . 1 . . . . . 20 LYS HA . 51015 1
86 . 1 . 1 20 20 LYS C C 13 176.308 0.017 . 1 . . . . . 20 LYS C . 51015 1
87 . 1 . 1 20 20 LYS CA C 13 56.378 0.000 . 1 . . . . . 20 LYS CA . 51015 1
88 . 1 . 1 20 20 LYS CB C 13 33.301 0.000 . 1 . . . . . 20 LYS CB . 51015 1
89 . 1 . 1 20 20 LYS N N 15 123.389 0.078 . 1 . . . . . 20 LYS N . 51015 1
90 . 1 . 1 21 21 SER HA H 1 4.190 0.000 . 1 . . . . . 21 SER HA . 51015 1
91 . 1 . 1 21 21 SER C C 13 174.558 0.028 . 1 . . . . . 21 SER C . 51015 1
92 . 1 . 1 22 22 SER H H 1 8.394 0.000 . 1 . . . . . 22 SER H . 51015 1
93 . 1 . 1 22 22 SER HA H 1 4.490 0.002 . 1 . . . . . 22 SER HA . 51015 1
94 . 1 . 1 22 22 SER C C 13 173.722 0.013 . 1 . . . . . 22 SER C . 51015 1
95 . 1 . 1 22 22 SER CA C 13 57.964 0.000 . 1 . . . . . 22 SER CA . 51015 1
96 . 1 . 1 22 22 SER N N 15 118.080 0.004 . 1 . . . . . 22 SER N . 51015 1
97 . 1 . 1 23 23 ALA H H 1 8.250 0.002 . 1 . . . . . 23 ALA H . 51015 1
98 . 1 . 1 23 23 ALA HA H 1 4.606 0.002 . 1 . . . . . 23 ALA HA . 51015 1
99 . 1 . 1 23 23 ALA C C 13 175.409 0.011 . 1 . . . . . 23 ALA C . 51015 1
100 . 1 . 1 23 23 ALA CA C 13 50.769 0.001 . 1 . . . . . 23 ALA CA . 51015 1
101 . 1 . 1 23 23 ALA CB C 13 18.260 0.000 . 1 . . . . . 23 ALA CB . 51015 1
102 . 1 . 1 23 23 ALA N N 15 127.031 0.010 . 1 . . . . . 23 ALA N . 51015 1
103 . 1 . 1 24 24 PRO HA H 1 4.415 0.004 . 1 . . . . . 24 PRO HA . 51015 1
104 . 1 . 1 24 24 PRO C C 13 177.080 0.014 . 1 . . . . . 24 PRO C . 51015 1
105 . 1 . 1 24 24 PRO CA C 13 63.207 0.000 . 1 . . . . . 24 PRO CA . 51015 1
106 . 1 . 1 24 24 PRO CB C 13 31.996 0.000 . 1 . . . . . 24 PRO CB . 51015 1
107 . 1 . 1 24 24 PRO N N 15 107.998 0.020 . 1 . . . . . 24 PRO N . 51015 1
108 . 1 . 1 25 25 ARG H H 1 8.449 0.002 . 1 . . . . . 25 ARG H . 51015 1
109 . 1 . 1 25 25 ARG HA H 1 4.271 0.001 . 1 . . . . . 25 ARG HA . 51015 1
110 . 1 . 1 25 25 ARG C C 13 176.499 0.010 . 1 . . . . . 25 ARG C . 51015 1
111 . 1 . 1 25 25 ARG CA C 13 56.390 0.000 . 1 . . . . . 25 ARG CA . 51015 1
112 . 1 . 1 25 25 ARG CB C 13 30.774 0.000 . 1 . . . . . 25 ARG CB . 51015 1
113 . 1 . 1 25 25 ARG N N 15 121.407 0.036 . 1 . . . . . 25 ARG N . 51015 1
114 . 1 . 1 26 26 GLU H H 1 8.467 0.047 . 1 . . . . . 26 GLU H . 51015 1
115 . 1 . 1 26 26 GLU C C 13 176.498 0.000 . 1 . . . . . 26 GLU C . 51015 1
116 . 1 . 1 26 26 GLU CA C 13 56.658 0.082 . 1 . . . . . 26 GLU CA . 51015 1
117 . 1 . 1 26 26 GLU CB C 13 30.210 0.053 . 1 . . . . . 26 GLU CB . 51015 1
118 . 1 . 1 26 26 GLU N N 15 121.543 0.227 . 1 . . . . . 26 GLU N . 51015 1
119 . 1 . 1 27 27 MET H H 1 8.380 0.002 . 1 . . . . . 27 MET H . 51015 1
120 . 1 . 1 27 27 MET HA H 1 4.458 0.001 . 1 . . . . . 27 MET HA . 51015 1
121 . 1 . 1 27 27 MET C C 13 176.161 0.012 . 1 . . . . . 27 MET C . 51015 1
122 . 1 . 1 27 27 MET CA C 13 55.465 0.029 . 1 . . . . . 27 MET CA . 51015 1
123 . 1 . 1 27 27 MET CB C 13 32.968 0.052 . 1 . . . . . 27 MET CB . 51015 1
124 . 1 . 1 27 27 MET N N 15 121.475 0.023 . 1 . . . . . 27 MET N . 51015 1
125 . 1 . 1 28 28 GLN H H 1 8.383 0.001 . 1 . . . . . 28 GLN H . 51015 1
126 . 1 . 1 28 28 GLN HA H 1 4.315 0.003 . 1 . . . . . 28 GLN HA . 51015 1
127 . 1 . 1 28 28 GLN C C 13 175.846 0.028 . 1 . . . . . 28 GLN C . 51015 1
128 . 1 . 1 28 28 GLN CA C 13 55.702 0.000 . 1 . . . . . 28 GLN CA . 51015 1
129 . 1 . 1 28 28 GLN CB C 13 29.519 0.026 . 1 . . . . . 28 GLN CB . 51015 1
130 . 1 . 1 28 28 GLN N N 15 121.832 0.050 . 1 . . . . . 28 GLN N . 51015 1
131 . 1 . 1 29 29 LYS H H 1 8.409 0.018 . 1 . . . . . 29 LYS H . 51015 1
132 . 1 . 1 29 29 LYS HA H 1 4.292 0.000 . 1 . . . . . 29 LYS HA . 51015 1
133 . 1 . 1 29 29 LYS C C 13 176.323 0.017 . 1 . . . . . 29 LYS C . 51015 1
134 . 1 . 1 29 29 LYS CA C 13 56.379 0.002 . 1 . . . . . 29 LYS CA . 51015 1
135 . 1 . 1 29 29 LYS CB C 13 33.204 0.001 . 1 . . . . . 29 LYS CB . 51015 1
136 . 1 . 1 29 29 LYS N N 15 123.352 0.082 . 1 . . . . . 29 LYS N . 51015 1
137 . 1 . 1 30 30 ALA H H 1 8.410 0.001 . 1 . . . . . 30 ALA H . 51015 1
138 . 1 . 1 30 30 ALA HA H 1 4.298 0.007 . 1 . . . . . 30 ALA HA . 51015 1
139 . 1 . 1 30 30 ALA C C 13 177.770 0.005 . 1 . . . . . 30 ALA C . 51015 1
140 . 1 . 1 30 30 ALA CA C 13 52.702 0.004 . 1 . . . . . 30 ALA CA . 51015 1
141 . 1 . 1 30 30 ALA CB C 13 19.206 0.018 . 1 . . . . . 30 ALA CB . 51015 1
142 . 1 . 1 30 30 ALA N N 15 125.947 0.006 . 1 . . . . . 30 ALA N . 51015 1
143 . 1 . 1 31 31 GLU H H 1 8.354 0.002 . 1 . . . . . 31 GLU H . 51015 1
144 . 1 . 1 31 31 GLU HA H 1 4.229 0.003 . 1 . . . . . 31 GLU HA . 51015 1
145 . 1 . 1 31 31 GLU C C 13 176.507 0.021 . 1 . . . . . 31 GLU C . 51015 1
146 . 1 . 1 31 31 GLU CA C 13 57.005 0.000 . 1 . . . . . 31 GLU CA . 51015 1
147 . 1 . 1 31 31 GLU CB C 13 30.487 0.106 . 1 . . . . . 31 GLU CB . 51015 1
148 . 1 . 1 31 31 GLU N N 15 120.364 0.040 . 1 . . . . . 31 GLU N . 51015 1
149 . 1 . 1 32 32 GLU H H 1 8.380 0.001 . 1 . . . . . 32 GLU H . 51015 1
150 . 1 . 1 32 32 GLU HA H 1 4.285 0.001 . 1 . . . . . 32 GLU HA . 51015 1
151 . 1 . 1 32 32 GLU C C 13 176.230 0.020 . 1 . . . . . 32 GLU C . 51015 1
152 . 1 . 1 32 32 GLU CB C 13 30.381 0.000 . 1 . . . . . 32 GLU CB . 51015 1
153 . 1 . 1 32 32 GLU N N 15 122.394 0.020 . 1 . . . . . 32 GLU N . 51015 1
154 . 1 . 1 33 33 LYS H H 1 8.284 0.003 . 1 . . . . . 33 LYS H . 51015 1
155 . 1 . 1 33 33 LYS C C 13 176.266 0.011 . 1 . . . . . 33 LYS C . 51015 1
156 . 1 . 1 33 33 LYS CA C 13 56.052 0.087 . 1 . . . . . 33 LYS CA . 51015 1
157 . 1 . 1 33 33 LYS CB C 13 33.241 0.017 . 1 . . . . . 33 LYS CB . 51015 1
158 . 1 . 1 33 33 LYS N N 15 122.468 0.063 . 1 . . . . . 33 LYS N . 51015 1
159 . 1 . 1 34 34 GLU H H 1 8.458 0.001 . 1 . . . . . 34 GLU H . 51015 1
160 . 1 . 1 34 34 GLU HA H 1 4.291 0.008 . 1 . . . . . 34 GLU HA . 51015 1
161 . 1 . 1 34 34 GLU C C 13 176.140 0.004 . 1 . . . . . 34 GLU C . 51015 1
162 . 1 . 1 34 34 GLU CA C 13 56.656 0.030 . 1 . . . . . 34 GLU CA . 51015 1
163 . 1 . 1 34 34 GLU CB C 13 30.367 0.043 . 1 . . . . . 34 GLU CB . 51015 1
164 . 1 . 1 34 34 GLU N N 15 122.685 0.017 . 1 . . . . . 34 GLU N . 51015 1
165 . 1 . 1 35 35 VAL H H 1 8.277 0.004 . 1 . . . . . 35 VAL H . 51015 1
166 . 1 . 1 35 35 VAL HA H 1 4.441 0.006 . 1 . . . . . 35 VAL HA . 51015 1
167 . 1 . 1 35 35 VAL C C 13 174.401 0.005 . 1 . . . . . 35 VAL C . 51015 1
168 . 1 . 1 35 35 VAL CA C 13 59.518 0.000 . 1 . . . . . 35 VAL CA . 51015 1
169 . 1 . 1 35 35 VAL CB C 13 32.855 0.000 . 1 . . . . . 35 VAL CB . 51015 1
170 . 1 . 1 35 35 VAL N N 15 123.009 0.042 . 1 . . . . . 35 VAL N . 51015 1
171 . 1 . 1 36 36 PRO HA H 1 4.413 0.003 . 1 . . . . . 36 PRO HA . 51015 1
172 . 1 . 1 36 36 PRO C C 13 177.141 0.018 . 1 . . . . . 36 PRO C . 51015 1
173 . 1 . 1 36 36 PRO CA C 13 63.158 0.000 . 1 . . . . . 36 PRO CA . 51015 1
174 . 1 . 1 36 36 PRO CB C 13 32.189 0.001 . 1 . . . . . 36 PRO CB . 51015 1
175 . 1 . 1 36 36 PRO N N 15 111.304 0.003 . 1 . . . . . 36 PRO N . 51015 1
176 . 1 . 1 37 37 GLU H H 1 8.609 0.004 . 1 . . . . . 37 GLU H . 51015 1
177 . 1 . 1 37 37 GLU HA H 1 4.214 0.000 . 1 . . . . . 37 GLU HA . 51015 1
178 . 1 . 1 37 37 GLU C C 13 176.455 0.007 . 1 . . . . . 37 GLU C . 51015 1
179 . 1 . 1 37 37 GLU CA C 13 57.028 0.004 . 1 . . . . . 37 GLU CA . 51015 1
180 . 1 . 1 37 37 GLU CB C 13 30.385 0.000 . 1 . . . . . 37 GLU CB . 51015 1
181 . 1 . 1 37 37 GLU N N 15 121.514 0.079 . 1 . . . . . 37 GLU N . 51015 1
182 . 1 . 1 38 38 ASP H H 1 8.362 0.001 . 1 . . . . . 38 ASP H . 51015 1
183 . 1 . 1 38 38 ASP HA H 1 4.611 0.001 . 1 . . . . . 38 ASP HA . 51015 1
184 . 1 . 1 38 38 ASP C C 13 176.294 0.009 . 1 . . . . . 38 ASP C . 51015 1
185 . 1 . 1 38 38 ASP CA C 13 54.507 0.015 . 1 . . . . . 38 ASP CA . 51015 1
186 . 1 . 1 38 38 ASP CB C 13 41.096 0.007 . 1 . . . . . 38 ASP CB . 51015 1
187 . 1 . 1 38 38 ASP N N 15 120.979 0.043 . 1 . . . . . 38 ASP N . 51015 1
188 . 1 . 1 39 39 SER H H 1 8.216 0.001 . 1 . . . . . 39 SER H . 51015 1
189 . 1 . 1 39 39 SER HA H 1 4.445 0.000 . 1 . . . . . 39 SER HA . 51015 1
190 . 1 . 1 39 39 SER C C 13 174.593 0.016 . 1 . . . . . 39 SER C . 51015 1
191 . 1 . 1 39 39 SER CA C 13 58.571 0.018 . 1 . . . . . 39 SER CA . 51015 1
192 . 1 . 1 39 39 SER CB C 13 63.900 0.003 . 1 . . . . . 39 SER CB . 51015 1
193 . 1 . 1 39 39 SER N N 15 115.895 0.047 . 1 . . . . . 39 SER N . 51015 1
194 . 1 . 1 40 40 LEU H H 1 8.272 0.001 . 1 . . . . . 40 LEU H . 51015 1
195 . 1 . 1 40 40 LEU HA H 1 4.354 0.003 . 1 . . . . . 40 LEU HA . 51015 1
196 . 1 . 1 40 40 LEU C C 13 177.488 0.029 . 1 . . . . . 40 LEU C . 51015 1
197 . 1 . 1 40 40 LEU CA C 13 55.411 0.022 . 1 . . . . . 40 LEU CA . 51015 1
198 . 1 . 1 40 40 LEU CB C 13 42.308 0.017 . 1 . . . . . 40 LEU CB . 51015 1
199 . 1 . 1 40 40 LEU N N 15 124.076 0.043 . 1 . . . . . 40 LEU N . 51015 1
200 . 1 . 1 41 41 GLU H H 1 8.325 0.002 . 1 . . . . . 41 GLU H . 51015 1
201 . 1 . 1 41 41 GLU HA H 1 4.258 0.001 . 1 . . . . . 41 GLU HA . 51015 1
202 . 1 . 1 41 41 GLU C C 13 176.629 0.011 . 1 . . . . . 41 GLU C . 51015 1
203 . 1 . 1 41 41 GLU CA C 13 56.857 0.000 . 1 . . . . . 41 GLU CA . 51015 1
204 . 1 . 1 41 41 GLU CB C 13 30.436 0.000 . 1 . . . . . 41 GLU CB . 51015 1
205 . 1 . 1 41 41 GLU N N 15 121.486 0.028 . 1 . . . . . 41 GLU N . 51015 1
206 . 1 . 1 42 42 GLU H H 1 8.434 0.002 . 1 . . . . . 42 GLU H . 51015 1
207 . 1 . 1 42 42 GLU C C 13 176.511 0.002 . 1 . . . . . 42 GLU C . 51015 1
208 . 1 . 1 42 42 GLU CA C 13 56.909 0.067 . 1 . . . . . 42 GLU CA . 51015 1
209 . 1 . 1 42 42 GLU CB C 13 30.222 0.050 . 1 . . . . . 42 GLU CB . 51015 1
210 . 1 . 1 42 42 GLU N N 15 122.056 0.013 . 1 . . . . . 42 GLU N . 51015 1
211 . 1 . 1 43 43 CYS H H 1 8.354 0.001 . 1 . . . . . 43 CYS H . 51015 1
212 . 1 . 1 43 43 CYS C C 13 174.316 0.003 . 1 . . . . . 43 CYS C . 51015 1
213 . 1 . 1 43 43 CYS CA C 13 58.834 0.008 . 1 . . . . . 43 CYS CA . 51015 1
214 . 1 . 1 43 43 CYS CB C 13 27.949 0.016 . 1 . . . . . 43 CYS CB . 51015 1
215 . 1 . 1 43 43 CYS N N 15 120.293 0.021 . 1 . . . . . 43 CYS N . 51015 1
216 . 1 . 1 44 44 ALA H H 1 8.355 0.002 . 1 . . . . . 44 ALA H . 51015 1
217 . 1 . 1 44 44 ALA HA H 1 4.271 0.000 . 1 . . . . . 44 ALA HA . 51015 1
218 . 1 . 1 44 44 ALA C C 13 177.733 0.003 . 1 . . . . . 44 ALA C . 51015 1
219 . 1 . 1 44 44 ALA CA C 13 52.775 0.119 . 1 . . . . . 44 ALA CA . 51015 1
220 . 1 . 1 44 44 ALA CB C 13 19.171 0.009 . 1 . . . . . 44 ALA CB . 51015 1
221 . 1 . 1 44 44 ALA N N 15 126.539 0.027 . 1 . . . . . 44 ALA N . 51015 1
222 . 1 . 1 45 45 ILE H H 1 8.137 0.003 . 1 . . . . . 45 ILE H . 51015 1
223 . 1 . 1 45 45 ILE C C 13 176.656 0.001 . 1 . . . . . 45 ILE C . 51015 1
224 . 1 . 1 45 45 ILE CA C 13 61.386 0.091 . 1 . . . . . 45 ILE CA . 51015 1
225 . 1 . 1 45 45 ILE CB C 13 38.720 0.046 . 1 . . . . . 45 ILE CB . 51015 1
226 . 1 . 1 45 45 ILE N N 15 120.064 0.029 . 1 . . . . . 45 ILE N . 51015 1
227 . 1 . 1 46 46 THR H H 1 8.221 0.001 . 1 . . . . . 46 THR H . 51015 1
228 . 1 . 1 46 46 THR C C 13 174.467 0.000 . 1 . . . . . 46 THR C . 51015 1
229 . 1 . 1 46 46 THR CA C 13 61.885 0.000 . 1 . . . . . 46 THR CA . 51015 1
230 . 1 . 1 46 46 THR CB C 13 69.962 0.000 . 1 . . . . . 46 THR CB . 51015 1
231 . 1 . 1 46 46 THR N N 15 117.846 0.048 . 1 . . . . . 46 THR N . 51015 1
232 . 1 . 1 47 47 CYS HA H 1 4.343 0.000 . 1 . . . . . 47 CYS HA . 51015 1
233 . 1 . 1 47 47 CYS C C 13 176.646 0.000 . 1 . . . . . 47 CYS C . 51015 1
234 . 1 . 1 47 47 CYS CA C 13 56.376 0.000 . 1 . . . . . 47 CYS CA . 51015 1
235 . 1 . 1 47 47 CYS CB C 13 33.083 0.000 . 1 . . . . . 47 CYS CB . 51015 1
236 . 1 . 1 48 48 SER H H 1 8.398 0.010 . 1 . . . . . 48 SER H . 51015 1
237 . 1 . 1 48 48 SER HA H 1 4.492 0.000 . 1 . . . . . 48 SER HA . 51015 1
238 . 1 . 1 48 48 SER C C 13 174.537 0.000 . 1 . . . . . 48 SER C . 51015 1
239 . 1 . 1 48 48 SER N N 15 117.182 0.023 . 1 . . . . . 48 SER N . 51015 1
240 . 1 . 1 49 49 ASN H H 1 8.125 0.000 . 1 . . . . . 49 ASN H . 51015 1
241 . 1 . 1 49 49 ASN CB C 13 39.045 0.000 . 1 . . . . . 49 ASN CB . 51015 1
242 . 1 . 1 49 49 ASN N N 15 125.711 0.000 . 1 . . . . . 49 ASN N . 51015 1
243 . 1 . 1 50 50 SER HA H 1 4.405 0.000 . 1 . . . . . 50 SER HA . 51015 1
244 . 1 . 1 50 50 SER C C 13 174.692 0.001 . 1 . . . . . 50 SER C . 51015 1
245 . 1 . 1 51 51 HIS H H 1 8.243 0.000 . 1 . . . . . 51 HIS H . 51015 1
246 . 1 . 1 51 51 HIS HA H 1 4.719 0.003 . 1 . . . . . 51 HIS HA . 51015 1
247 . 1 . 1 51 51 HIS C C 13 175.403 0.000 . 1 . . . . . 51 HIS C . 51015 1
248 . 1 . 1 51 51 HIS N N 15 120.855 0.093 . 1 . . . . . 51 HIS N . 51015 1
249 . 1 . 1 52 52 GLY H H 1 8.290 0.002 . 1 . . . . . 52 GLY H . 51015 1
250 . 1 . 1 52 52 GLY HA2 H 1 4.058 0.002 . 2 . . . . . 52 GLY HA2 . 51015 1
251 . 1 . 1 52 52 GLY HA3 H 1 4.147 0.006 . 2 . . . . . 52 GLY HA3 . 51015 1
252 . 1 . 1 52 52 GLY C C 13 172.173 0.015 . 1 . . . . . 52 GLY C . 51015 1
253 . 1 . 1 52 52 GLY CA C 13 44.656 0.000 . 1 . . . . . 52 GLY CA . 51015 1
254 . 1 . 1 52 52 GLY N N 15 110.069 0.047 . 1 . . . . . 52 GLY N . 51015 1
255 . 1 . 1 53 53 PRO HA H 1 4.393 0.006 . 1 . . . . . 53 PRO HA . 51015 1
256 . 1 . 1 53 53 PRO C C 13 176.925 0.012 . 1 . . . . . 53 PRO C . 51015 1
257 . 1 . 1 53 53 PRO CA C 13 63.272 0.032 . 1 . . . . . 53 PRO CA . 51015 1
258 . 1 . 1 53 53 PRO CB C 13 31.890 0.000 . 1 . . . . . 53 PRO CB . 51015 1
259 . 1 . 1 53 53 PRO N N 15 106.010 0.053 . 1 . . . . . 53 PRO N . 51015 1
260 . 1 . 1 54 54 TYR H H 1 8.261 0.002 . 1 . . . . . 54 TYR H . 51015 1
261 . 1 . 1 54 54 TYR HA H 1 4.576 0.005 . 1 . . . . . 54 TYR HA . 51015 1
262 . 1 . 1 54 54 TYR C C 13 175.524 0.032 . 1 . . . . . 54 TYR C . 51015 1
263 . 1 . 1 54 54 TYR CA C 13 57.652 0.039 . 1 . . . . . 54 TYR CA . 51015 1
264 . 1 . 1 54 54 TYR CB C 13 38.586 0.002 . 1 . . . . . 54 TYR CB . 51015 1
265 . 1 . 1 54 54 TYR N N 15 120.130 0.047 . 1 . . . . . 54 TYR N . 51015 1
266 . 1 . 1 55 55 ASP H H 1 8.092 0.002 . 1 . . . . . 55 ASP H . 51015 1
267 . 1 . 1 55 55 ASP HA H 1 4.605 0.004 . 1 . . . . . 55 ASP HA . 51015 1
268 . 1 . 1 55 55 ASP C C 13 176.292 0.016 . 1 . . . . . 55 ASP C . 51015 1
269 . 1 . 1 55 55 ASP CA C 13 53.981 0.003 . 1 . . . . . 55 ASP CA . 51015 1
270 . 1 . 1 55 55 ASP CB C 13 41.404 0.006 . 1 . . . . . 55 ASP CB . 51015 1
271 . 1 . 1 55 55 ASP N N 15 122.458 0.072 . 1 . . . . . 55 ASP N . 51015 1
272 . 1 . 1 56 56 SER H H 1 8.272 0.002 . 1 . . . . . 56 SER H . 51015 1
273 . 1 . 1 56 56 SER HA H 1 4.323 0.004 . 1 . . . . . 56 SER HA . 51015 1
274 . 1 . 1 56 56 SER C C 13 174.597 0.042 . 1 . . . . . 56 SER C . 51015 1
275 . 1 . 1 56 56 SER CA C 13 59.118 0.000 . 1 . . . . . 56 SER CA . 51015 1
276 . 1 . 1 56 56 SER CB C 13 63.600 0.000 . 1 . . . . . 56 SER CB . 51015 1
277 . 1 . 1 56 56 SER N N 15 116.901 0.042 . 1 . . . . . 56 SER N . 51015 1
278 . 1 . 1 57 57 ASN H H 1 8.477 0.019 . 1 . . . . . 57 ASN H . 51015 1
279 . 1 . 1 57 57 ASN HA H 1 4.717 0.004 . 1 . . . . . 57 ASN HA . 51015 1
280 . 1 . 1 57 57 ASN C C 13 174.883 0.010 . 1 . . . . . 57 ASN C . 51015 1
281 . 1 . 1 57 57 ASN CA C 13 53.449 0.000 . 1 . . . . . 57 ASN CA . 51015 1
282 . 1 . 1 57 57 ASN CB C 13 38.873 0.000 . 1 . . . . . 57 ASN CB . 51015 1
283 . 1 . 1 57 57 ASN N N 15 119.915 0.263 . 1 . . . . . 57 ASN N . 51015 1
284 . 1 . 1 58 58 GLN H H 1 8.028 0.001 . 1 . . . . . 58 GLN H . 51015 1
285 . 1 . 1 58 58 GLN HA H 1 4.586 0.001 . 1 . . . . . 58 GLN HA . 51015 1
286 . 1 . 1 58 58 GLN C C 13 173.937 0.009 . 1 . . . . . 58 GLN C . 51015 1
287 . 1 . 1 58 58 GLN CA C 13 53.755 0.000 . 1 . . . . . 58 GLN CA . 51015 1
288 . 1 . 1 58 58 GLN CB C 13 28.942 0.000 . 1 . . . . . 58 GLN CB . 51015 1
289 . 1 . 1 58 58 GLN N N 15 120.451 0.026 . 1 . . . . . 58 GLN N . 51015 1
290 . 1 . 1 59 59 PRO HA H 1 4.359 0.001 . 1 . . . . . 59 PRO HA . 51015 1
291 . 1 . 1 59 59 PRO C C 13 176.794 0.020 . 1 . . . . . 59 PRO C . 51015 1
292 . 1 . 1 59 59 PRO CA C 13 63.322 0.000 . 1 . . . . . 59 PRO CA . 51015 1
293 . 1 . 1 59 59 PRO N N 15 108.559 0.022 . 1 . . . . . 59 PRO N . 51015 1
294 . 1 . 1 60 60 HIS H H 1 8.308 0.005 . 1 . . . . . 60 HIS H . 51015 1
295 . 1 . 1 60 60 HIS HA H 1 4.590 0.002 . 1 . . . . . 60 HIS HA . 51015 1
296 . 1 . 1 60 60 HIS C C 13 175.432 0.007 . 1 . . . . . 60 HIS C . 51015 1
297 . 1 . 1 60 60 HIS CA C 13 56.098 0.000 . 1 . . . . . 60 HIS CA . 51015 1
298 . 1 . 1 60 60 HIS CB C 13 30.623 0.000 . 1 . . . . . 60 HIS CB . 51015 1
299 . 1 . 1 60 60 HIS N N 15 119.140 0.026 . 1 . . . . . 60 HIS N . 51015 1
300 . 1 . 1 61 61 LYS H H 1 8.136 0.002 . 1 . . . . . 61 LYS H . 51015 1
301 . 1 . 1 61 61 LYS HA H 1 4.290 0.000 . 1 . . . . . 61 LYS HA . 51015 1
302 . 1 . 1 61 61 LYS C C 13 176.263 0.025 . 1 . . . . . 61 LYS C . 51015 1
303 . 1 . 1 61 61 LYS CA C 13 56.207 0.107 . 1 . . . . . 61 LYS CA . 51015 1
304 . 1 . 1 61 61 LYS CB C 13 33.130 0.072 . 1 . . . . . 61 LYS CB . 51015 1
305 . 1 . 1 61 61 LYS N N 15 122.722 0.033 . 1 . . . . . 61 LYS N . 51015 1
306 . 1 . 1 62 62 LYS H H 1 8.426 0.006 . 1 . . . . . 62 LYS H . 51015 1
307 . 1 . 1 62 62 LYS HA H 1 4.368 0.004 . 1 . . . . . 62 LYS HA . 51015 1
308 . 1 . 1 62 62 LYS C C 13 176.648 0.011 . 1 . . . . . 62 LYS C . 51015 1
309 . 1 . 1 62 62 LYS CA C 13 56.300 0.093 . 1 . . . . . 62 LYS CA . 51015 1
310 . 1 . 1 62 62 LYS CB C 13 33.177 0.076 . 1 . . . . . 62 LYS CB . 51015 1
311 . 1 . 1 62 62 LYS N N 15 123.222 0.173 . 1 . . . . . 62 LYS N . 51015 1
312 . 1 . 1 63 63 THR H H 1 8.186 0.002 . 1 . . . . . 63 THR H . 51015 1
313 . 1 . 1 63 63 THR HA H 1 4.300 0.001 . 1 . . . . . 63 THR HA . 51015 1
314 . 1 . 1 63 63 THR C C 13 174.175 0.025 . 1 . . . . . 63 THR C . 51015 1
315 . 1 . 1 63 63 THR CA C 13 62.122 0.000 . 1 . . . . . 63 THR CA . 51015 1
316 . 1 . 1 63 63 THR CB C 13 70.115 0.000 . 1 . . . . . 63 THR CB . 51015 1
317 . 1 . 1 63 63 THR N N 15 116.346 0.038 . 1 . . . . . 63 THR N . 51015 1
318 . 1 . 1 64 64 LYS H H 1 8.343 0.002 . 1 . . . . . 64 LYS H . 51015 1
319 . 1 . 1 64 64 LYS HA H 1 4.345 0.000 . 1 . . . . . 64 LYS HA . 51015 1
320 . 1 . 1 64 64 LYS C C 13 176.087 0.012 . 1 . . . . . 64 LYS C . 51015 1
321 . 1 . 1 64 64 LYS CA C 13 56.351 0.000 . 1 . . . . . 64 LYS CA . 51015 1
322 . 1 . 1 64 64 LYS CB C 13 33.277 0.024 . 1 . . . . . 64 LYS CB . 51015 1
323 . 1 . 1 64 64 LYS N N 15 124.376 0.046 . 1 . . . . . 64 LYS N . 51015 1
324 . 1 . 1 65 65 ILE H H 1 8.251 0.001 . 1 . . . . . 65 ILE H . 51015 1
325 . 1 . 1 65 65 ILE HA H 1 4.183 0.001 . 1 . . . . . 65 ILE HA . 51015 1
326 . 1 . 1 65 65 ILE C C 13 176.077 0.006 . 1 . . . . . 65 ILE C . 51015 1
327 . 1 . 1 65 65 ILE CA C 13 61.065 0.025 . 1 . . . . . 65 ILE CA . 51015 1
328 . 1 . 1 65 65 ILE CB C 13 38.696 0.046 . 1 . . . . . 65 ILE CB . 51015 1
329 . 1 . 1 65 65 ILE N N 15 123.177 0.029 . 1 . . . . . 65 ILE N . 51015 1
330 . 1 . 1 66 66 THR H H 1 8.121 0.001 . 1 . . . . . 66 THR H . 51015 1
331 . 1 . 1 66 66 THR HA H 1 4.332 0.003 . 1 . . . . . 66 THR HA . 51015 1
332 . 1 . 1 66 66 THR C C 13 173.805 0.016 . 1 . . . . . 66 THR C . 51015 1
333 . 1 . 1 66 66 THR CA C 13 61.370 0.019 . 1 . . . . . 66 THR CA . 51015 1
334 . 1 . 1 66 66 THR CB C 13 70.040 0.067 . 1 . . . . . 66 THR CB . 51015 1
335 . 1 . 1 66 66 THR N N 15 118.523 0.040 . 1 . . . . . 66 THR N . 51015 1
336 . 1 . 1 67 67 PHE H H 1 8.336 0.004 . 1 . . . . . 67 PHE H . 51015 1
337 . 1 . 1 67 67 PHE HA H 1 4.653 0.004 . 1 . . . . . 67 PHE HA . 51015 1
338 . 1 . 1 67 67 PHE C C 13 175.512 0.013 . 1 . . . . . 67 PHE C . 51015 1
339 . 1 . 1 67 67 PHE CA C 13 57.667 0.000 . 1 . . . . . 67 PHE CA . 51015 1
340 . 1 . 1 67 67 PHE CB C 13 39.839 0.014 . 1 . . . . . 67 PHE CB . 51015 1
341 . 1 . 1 67 67 PHE N N 15 122.700 0.062 . 1 . . . . . 67 PHE N . 51015 1
342 . 1 . 1 68 68 GLU H H 1 8.396 0.004 . 1 . . . . . 68 GLU H . 51015 1
343 . 1 . 1 68 68 GLU HA H 1 4.248 0.001 . 1 . . . . . 68 GLU HA . 51015 1
344 . 1 . 1 68 68 GLU C C 13 176.272 0.012 . 1 . . . . . 68 GLU C . 51015 1
345 . 1 . 1 68 68 GLU CA C 13 56.838 0.154 . 1 . . . . . 68 GLU CA . 51015 1
346 . 1 . 1 68 68 GLU CB C 13 30.439 0.000 . 1 . . . . . 68 GLU CB . 51015 1
347 . 1 . 1 68 68 GLU N N 15 122.735 0.032 . 1 . . . . . 68 GLU N . 51015 1
348 . 1 . 1 69 69 GLU H H 1 8.443 0.002 . 1 . . . . . 69 GLU H . 51015 1
349 . 1 . 1 69 69 GLU HA H 1 4.202 0.003 . 1 . . . . . 69 GLU HA . 51015 1
350 . 1 . 1 69 69 GLU C C 13 176.169 0.054 . 1 . . . . . 69 GLU C . 51015 1
351 . 1 . 1 69 69 GLU CA C 13 57.039 0.000 . 1 . . . . . 69 GLU CA . 51015 1
352 . 1 . 1 69 69 GLU CB C 13 30.370 0.016 . 1 . . . . . 69 GLU CB . 51015 1
353 . 1 . 1 69 69 GLU N N 15 121.860 0.052 . 1 . . . . . 69 GLU N . 51015 1
354 . 1 . 1 70 70 ASP H H 1 8.401 0.002 . 1 . . . . . 70 ASP H . 51015 1
355 . 1 . 1 70 70 ASP HA H 1 4.573 0.003 . 1 . . . . . 70 ASP HA . 51015 1
356 . 1 . 1 70 70 ASP C C 13 176.116 0.047 . 1 . . . . . 70 ASP C . 51015 1
357 . 1 . 1 70 70 ASP CA C 13 54.511 0.002 . 1 . . . . . 70 ASP CA . 51015 1
358 . 1 . 1 70 70 ASP CB C 13 41.055 0.023 . 1 . . . . . 70 ASP CB . 51015 1
359 . 1 . 1 70 70 ASP N N 15 121.120 0.038 . 1 . . . . . 70 ASP N . 51015 1
360 . 1 . 1 71 71 LYS H H 1 8.135 0.002 . 1 . . . . . 71 LYS H . 51015 1
361 . 1 . 1 71 71 LYS HA H 1 4.348 0.006 . 1 . . . . . 71 LYS HA . 51015 1
362 . 1 . 1 71 71 LYS C C 13 176.526 0.017 . 1 . . . . . 71 LYS C . 51015 1
363 . 1 . 1 71 71 LYS CA C 13 56.105 0.000 . 1 . . . . . 71 LYS CA . 51015 1
364 . 1 . 1 71 71 LYS CB C 13 33.068 0.000 . 1 . . . . . 71 LYS CB . 51015 1
365 . 1 . 1 71 71 LYS N N 15 121.532 0.019 . 1 . . . . . 71 LYS N . 51015 1
366 . 1 . 1 72 72 VAL H H 1 8.128 0.004 . 1 . . . . . 72 VAL H . 51015 1
367 . 1 . 1 72 72 VAL HA H 1 4.079 0.001 . 1 . . . . . 72 VAL HA . 51015 1
368 . 1 . 1 72 72 VAL C C 13 175.828 0.014 . 1 . . . . . 72 VAL C . 51015 1
369 . 1 . 1 72 72 VAL CA C 13 62.518 0.077 . 1 . . . . . 72 VAL CA . 51015 1
370 . 1 . 1 72 72 VAL CB C 13 33.031 0.000 . 1 . . . . . 72 VAL CB . 51015 1
371 . 1 . 1 72 72 VAL N N 15 121.402 0.075 . 1 . . . . . 72 VAL N . 51015 1
372 . 1 . 1 73 73 ASP H H 1 8.437 0.005 . 1 . . . . . 73 ASP H . 51015 1
373 . 1 . 1 73 73 ASP HA H 1 4.650 0.002 . 1 . . . . . 73 ASP HA . 51015 1
374 . 1 . 1 73 73 ASP C C 13 176.658 0.012 . 1 . . . . . 73 ASP C . 51015 1
375 . 1 . 1 73 73 ASP CA C 13 54.200 0.018 . 1 . . . . . 73 ASP CA . 51015 1
376 . 1 . 1 73 73 ASP CB C 13 41.143 0.022 . 1 . . . . . 73 ASP CB . 51015 1
377 . 1 . 1 73 73 ASP N N 15 124.352 0.059 . 1 . . . . . 73 ASP N . 51015 1
378 . 1 . 1 74 74 SER H H 1 8.431 0.002 . 1 . . . . . 74 SER H . 51015 1
379 . 1 . 1 74 74 SER HA H 1 4.405 0.004 . 1 . . . . . 74 SER HA . 51015 1
380 . 1 . 1 74 74 SER C C 13 175.227 0.007 . 1 . . . . . 74 SER C . 51015 1
381 . 1 . 1 74 74 SER CA C 13 59.201 0.008 . 1 . . . . . 74 SER CA . 51015 1
382 . 1 . 1 74 74 SER CB C 13 63.540 0.058 . 1 . . . . . 74 SER CB . 51015 1
383 . 1 . 1 74 74 SER N N 15 118.092 0.029 . 1 . . . . . 74 SER N . 51015 1
384 . 1 . 1 75 75 THR H H 1 8.349 0.002 . 1 . . . . . 75 THR H . 51015 1
385 . 1 . 1 75 75 THR HA H 1 4.277 0.004 . 1 . . . . . 75 THR HA . 51015 1
386 . 1 . 1 75 75 THR C C 13 174.888 0.012 . 1 . . . . . 75 THR C . 51015 1
387 . 1 . 1 75 75 THR CA C 13 62.964 0.037 . 1 . . . . . 75 THR CA . 51015 1
388 . 1 . 1 75 75 THR CB C 13 69.474 0.081 . 1 . . . . . 75 THR CB . 51015 1
389 . 1 . 1 75 75 THR N N 15 115.605 0.039 . 1 . . . . . 75 THR N . 51015 1
390 . 1 . 1 76 76 LEU H H 1 7.974 0.002 . 1 . . . . . 76 LEU H . 51015 1
391 . 1 . 1 76 76 LEU HA H 1 4.364 0.003 . 1 . . . . . 76 LEU HA . 51015 1
392 . 1 . 1 76 76 LEU C C 13 177.401 0.010 . 1 . . . . . 76 LEU C . 51015 1
393 . 1 . 1 76 76 LEU CA C 13 55.407 0.010 . 1 . . . . . 76 LEU CA . 51015 1
394 . 1 . 1 76 76 LEU CB C 13 42.218 0.066 . 1 . . . . . 76 LEU CB . 51015 1
395 . 1 . 1 76 76 LEU N N 15 123.515 0.027 . 1 . . . . . 76 LEU N . 51015 1
396 . 1 . 1 77 77 ILE H H 1 7.945 0.003 . 1 . . . . . 77 ILE H . 51015 1
397 . 1 . 1 77 77 ILE HA H 1 4.121 0.000 . 1 . . . . . 77 ILE HA . 51015 1
398 . 1 . 1 77 77 ILE C C 13 176.843 0.013 . 1 . . . . . 77 ILE C . 51015 1
399 . 1 . 1 77 77 ILE CA C 13 61.434 0.001 . 1 . . . . . 77 ILE CA . 51015 1
400 . 1 . 1 77 77 ILE CB C 13 38.562 0.035 . 1 . . . . . 77 ILE CB . 51015 1
401 . 1 . 1 77 77 ILE N N 15 121.399 0.018 . 1 . . . . . 77 ILE N . 51015 1
402 . 1 . 1 78 78 GLY H H 1 8.449 0.002 . 1 . . . . . 78 GLY H . 51015 1
403 . 1 . 1 78 78 GLY HA2 H 1 3.871 0.000 . 2 . . . . . 78 GLY HA2 . 51015 1
404 . 1 . 1 78 78 GLY HA3 H 1 3.998 0.000 . 2 . . . . . 78 GLY HA3 . 51015 1
405 . 1 . 1 78 78 GLY C C 13 174.303 0.023 . 1 . . . . . 78 GLY C . 51015 1
406 . 1 . 1 78 78 GLY CA C 13 45.340 0.087 . 1 . . . . . 78 GLY CA . 51015 1
407 . 1 . 1 78 78 GLY N N 15 112.809 0.062 . 1 . . . . . 78 GLY N . 51015 1
408 . 1 . 1 79 79 SER H H 1 8.215 0.005 . 1 . . . . . 79 SER H . 51015 1
409 . 1 . 1 79 79 SER HA H 1 4.491 0.004 . 1 . . . . . 79 SER HA . 51015 1
410 . 1 . 1 79 79 SER C C 13 174.884 0.012 . 1 . . . . . 79 SER C . 51015 1
411 . 1 . 1 79 79 SER CA C 13 58.517 0.064 . 1 . . . . . 79 SER CA . 51015 1
412 . 1 . 1 79 79 SER CB C 13 63.595 0.000 . 1 . . . . . 79 SER CB . 51015 1
413 . 1 . 1 79 79 SER N N 15 115.593 0.038 . 1 . . . . . 79 SER N . 51015 1
414 . 1 . 1 80 80 SER H H 1 8.325 0.020 . 1 . . . . . 80 SER H . 51015 1
415 . 1 . 1 80 80 SER HA H 1 4.518 0.001 . 1 . . . . . 80 SER HA . 51015 1
416 . 1 . 1 80 80 SER C C 13 174.676 0.004 . 1 . . . . . 80 SER C . 51015 1
417 . 1 . 1 80 80 SER N N 15 117.581 0.145 . 1 . . . . . 80 SER N . 51015 1
418 . 1 . 1 81 81 SER H H 1 8.456 0.000 . 1 . . . . . 81 SER H . 51015 1
419 . 1 . 1 81 81 SER HA H 1 4.414 0.001 . 1 . . . . . 81 SER HA . 51015 1
420 . 1 . 1 81 81 SER C C 13 174.319 0.006 . 1 . . . . . 81 SER C . 51015 1
421 . 1 . 1 81 81 SER N N 15 117.351 0.010 . 1 . . . . . 81 SER N . 51015 1
422 . 1 . 1 82 82 HIS H H 1 8.206 0.000 . 1 . . . . . 82 HIS H . 51015 1
423 . 1 . 1 82 82 HIS HA H 1 4.637 0.002 . 1 . . . . . 82 HIS HA . 51015 1
424 . 1 . 1 82 82 HIS C C 13 175.231 0.008 . 1 . . . . . 82 HIS C . 51015 1
425 . 1 . 1 82 82 HIS CA C 13 56.478 0.156 . 1 . . . . . 82 HIS CA . 51015 1
426 . 1 . 1 82 82 HIS CB C 13 30.762 0.000 . 1 . . . . . 82 HIS CB . 51015 1
427 . 1 . 1 82 82 HIS N N 15 121.559 0.014 . 1 . . . . . 82 HIS N . 51015 1
428 . 1 . 1 83 83 VAL H H 1 7.942 0.002 . 1 . . . . . 83 VAL H . 51015 1
429 . 1 . 1 83 83 VAL HA H 1 4.020 0.003 . 1 . . . . . 83 VAL HA . 51015 1
430 . 1 . 1 83 83 VAL C C 13 175.929 0.013 . 1 . . . . . 83 VAL C . 51015 1
431 . 1 . 1 83 83 VAL CA C 13 62.637 0.004 . 1 . . . . . 83 VAL CA . 51015 1
432 . 1 . 1 83 83 VAL CB C 13 32.557 0.038 . 1 . . . . . 83 VAL CB . 51015 1
433 . 1 . 1 83 83 VAL N N 15 121.351 0.069 . 1 . . . . . 83 VAL N . 51015 1
434 . 1 . 1 84 84 LEU H H 1 8.259 0.001 . 1 . . . . . 84 LEU H . 51015 1
435 . 1 . 1 84 84 LEU HA H 1 4.302 0.001 . 1 . . . . . 84 LEU HA . 51015 1
436 . 1 . 1 84 84 LEU C C 13 177.182 0.019 . 1 . . . . . 84 LEU C . 51015 1
437 . 1 . 1 84 84 LEU CA C 13 55.136 0.005 . 1 . . . . . 84 LEU CA . 51015 1
438 . 1 . 1 84 84 LEU CB C 13 42.335 0.022 . 1 . . . . . 84 LEU CB . 51015 1
439 . 1 . 1 84 84 LEU N N 15 125.515 0.021 . 1 . . . . . 84 LEU N . 51015 1
440 . 1 . 1 85 85 GLU H H 1 8.284 0.002 . 1 . . . . . 85 GLU H . 51015 1
441 . 1 . 1 85 85 GLU HA H 1 4.186 0.003 . 1 . . . . . 85 GLU HA . 51015 1
442 . 1 . 1 85 85 GLU C C 13 176.098 0.006 . 1 . . . . . 85 GLU C . 51015 1
443 . 1 . 1 85 85 GLU CA C 13 56.730 0.000 . 1 . . . . . 85 GLU CA . 51015 1
444 . 1 . 1 85 85 GLU CB C 13 30.431 0.000 . 1 . . . . . 85 GLU CB . 51015 1
445 . 1 . 1 85 85 GLU N N 15 121.471 0.030 . 1 . . . . . 85 GLU N . 51015 1
446 . 1 . 1 86 86 HIS H H 1 8.210 0.001 . 1 . . . . . 86 HIS H . 51015 1
447 . 1 . 1 86 86 HIS HA H 1 4.528 0.003 . 1 . . . . . 86 HIS HA . 51015 1
448 . 1 . 1 86 86 HIS C C 13 175.132 0.011 . 1 . . . . . 86 HIS C . 51015 1
449 . 1 . 1 86 86 HIS N N 15 119.909 0.039 . 1 . . . . . 86 HIS N . 51015 1
450 . 1 . 1 87 87 HIS H H 1 7.958 0.002 . 1 . . . . . 87 HIS H . 51015 1
451 . 1 . 1 87 87 HIS C C 13 174.706 0.000 . 1 . . . . . 87 HIS C . 51015 1
452 . 1 . 1 87 87 HIS N N 15 119.830 0.049 . 1 . . . . . 87 HIS N . 51015 1
stop_
save_