###################################
# 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_PICK1_PDZ_ASIC1a_C-terminal_major_state
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode PICK1_PDZ_ASIC1a_C-terminal_major_state
_Assigned_chem_shift_list.Entry_ID 19466
_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 $DSS
_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' . . . 19466 1
2 '3D HNCO_NLS' . . . 19466 1
3 '3D HNCA_NLS' . . . 19466 1
4 '3D CBCA(CO)NH_NLS' . . . 19466 1
5 '3D HN(CO)CA_NLS' . . . 19466 1
6 '3D HNCACB_NLS' . . . 19466 1
7 '3D HCCH-TOCSY_NLS' . . . 19466 1
8 '3D H(CCO)NH_NLS' . . . 19466 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.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 3 3 PRO C C 13 177.340 0.000 . 1 . . . . . 3 Pro C . 19466 1
2 . 1 1 3 3 PRO CA C 13 63.568 0.007 . 1 . . . . . 3 Pro CA . 19466 1
3 . 1 1 3 3 PRO CB C 13 32.144 0.000 . 1 . . . . . 3 Pro CB . 19466 1
4 . 1 1 4 4 GLY H H 1 8.515 0.002 . 1 . . . . . 4 Gly H . 19466 1
5 . 1 1 4 4 GLY C C 13 173.458 0.000 . 1 . . . . . 4 Gly C . 19466 1
6 . 1 1 4 4 GLY CA C 13 45.078 0.029 . 1 . . . . . 4 Gly CA . 19466 1
7 . 1 1 4 4 GLY N N 15 109.045 0.034 . 1 . . . . . 4 Gly N . 19466 1
8 . 1 1 5 5 ILE H H 1 8.006 0.003 . 1 . . . . . 5 Ile H . 19466 1
9 . 1 1 5 5 ILE HA H 1 4.480 0.005 . 1 . . . . . 5 Ile HA . 19466 1
10 . 1 1 5 5 ILE HB H 1 1.865 0.008 . 1 . . . . . 5 Ile HB . 19466 1
11 . 1 1 5 5 ILE HG12 H 1 1.471 0.004 . 2 . . . . . 5 Ile HG12 . 19466 1
12 . 1 1 5 5 ILE HG13 H 1 1.178 0.015 . 2 . . . . . 5 Ile HG13 . 19466 1
13 . 1 1 5 5 ILE HG21 H 1 0.945 0.003 . 1 . . . . . 5 Ile HG21 . 19466 1
14 . 1 1 5 5 ILE HG22 H 1 0.945 0.003 . 1 . . . . . 5 Ile HG22 . 19466 1
15 . 1 1 5 5 ILE HG23 H 1 0.945 0.003 . 1 . . . . . 5 Ile HG23 . 19466 1
16 . 1 1 5 5 ILE HD11 H 1 0.850 0.003 . 1 . . . . . 5 Ile HD11 . 19466 1
17 . 1 1 5 5 ILE HD12 H 1 0.850 0.003 . 1 . . . . . 5 Ile HD12 . 19466 1
18 . 1 1 5 5 ILE HD13 H 1 0.850 0.003 . 1 . . . . . 5 Ile HD13 . 19466 1
19 . 1 1 5 5 ILE CA C 13 58.496 0.082 . 1 . . . . . 5 Ile CA . 19466 1
20 . 1 1 5 5 ILE CB C 13 38.651 0.044 . 1 . . . . . 5 Ile CB . 19466 1
21 . 1 1 5 5 ILE CG1 C 13 27.331 0.062 . 1 . . . . . 5 Ile CG1 . 19466 1
22 . 1 1 5 5 ILE CG2 C 13 17.031 0.032 . 1 . . . . . 5 Ile CG2 . 19466 1
23 . 1 1 5 5 ILE CD1 C 13 12.729 0.078 . 1 . . . . . 5 Ile CD1 . 19466 1
24 . 1 1 5 5 ILE N N 15 121.740 0.035 . 1 . . . . . 5 Ile N . 19466 1
25 . 1 1 6 6 PRO C C 13 176.476 0.000 . 1 . . . . . 6 Pro C . 19466 1
26 . 1 1 6 6 PRO CA C 13 62.769 0.022 . 1 . . . . . 6 Pro CA . 19466 1
27 . 1 1 6 6 PRO CB C 13 32.561 0.055 . 1 . . . . . 6 Pro CB . 19466 1
28 . 1 1 7 7 VAL H H 1 8.681 0.004 . 1 . . . . . 7 Val H . 19466 1
29 . 1 1 7 7 VAL CA C 13 59.787 0.028 . 1 . . . . . 7 Val CA . 19466 1
30 . 1 1 7 7 VAL CB C 13 33.619 0.011 . 1 . . . . . 7 Val CB . 19466 1
31 . 1 1 7 7 VAL N N 15 123.622 0.044 . 1 . . . . . 7 Val N . 19466 1
32 . 1 1 8 8 PRO C C 13 177.674 0.000 . 1 . . . . . 8 Pro C . 19466 1
33 . 1 1 8 8 PRO CA C 13 62.346 0.000 . 1 . . . . . 8 Pro CA . 19466 1
34 . 1 1 8 8 PRO CB C 13 33.100 0.000 . 1 . . . . . 8 Pro CB . 19466 1
35 . 1 1 9 9 GLY H H 1 8.180 0.003 . 1 . . . . . 9 Gly H . 19466 1
36 . 1 1 9 9 GLY C C 13 171.394 0.000 . 1 . . . . . 9 Gly C . 19466 1
37 . 1 1 9 9 GLY CA C 13 44.532 0.063 . 1 . . . . . 9 Gly CA . 19466 1
38 . 1 1 9 9 GLY N N 15 108.143 0.058 . 1 . . . . . 9 Gly N . 19466 1
39 . 1 1 10 10 LYS H H 1 8.177 0.004 . 1 . . . . . 10 Lys H . 19466 1
40 . 1 1 10 10 LYS C C 13 174.440 0.000 . 1 . . . . . 10 Lys C . 19466 1
41 . 1 1 10 10 LYS CA C 13 55.205 0.008 . 1 . . . . . 10 Lys CA . 19466 1
42 . 1 1 10 10 LYS CB C 13 35.164 0.041 . 1 . . . . . 10 Lys CB . 19466 1
43 . 1 1 10 10 LYS N N 15 117.156 0.120 . 1 . . . . . 10 Lys N . 19466 1
44 . 1 1 11 11 VAL H H 1 8.892 0.007 . 1 . . . . . 11 Val H . 19466 1
45 . 1 1 11 11 VAL C C 13 171.794 0.000 . 1 . . . . . 11 Val C . 19466 1
46 . 1 1 11 11 VAL CA C 13 59.879 0.023 . 1 . . . . . 11 Val CA . 19466 1
47 . 1 1 11 11 VAL CB C 13 35.321 0.068 . 1 . . . . . 11 Val CB . 19466 1
48 . 1 1 11 11 VAL N N 15 120.455 0.070 . 1 . . . . . 11 Val N . 19466 1
49 . 1 1 12 12 THR H H 1 8.927 0.002 . 1 . . . . . 12 Thr H . 19466 1
50 . 1 1 12 12 THR C C 13 173.475 0.000 . 1 . . . . . 12 Thr C . 19466 1
51 . 1 1 12 12 THR CA C 13 62.081 0.013 . 1 . . . . . 12 Thr CA . 19466 1
52 . 1 1 12 12 THR CB C 13 69.490 0.038 . 1 . . . . . 12 Thr CB . 19466 1
53 . 1 1 12 12 THR N N 15 126.187 0.128 . 1 . . . . . 12 Thr N . 19466 1
54 . 1 1 13 13 LEU H H 1 9.252 0.005 . 1 . . . . . 13 Leu H . 19466 1
55 . 1 1 13 13 LEU C C 13 175.070 0.000 . 1 . . . . . 13 Leu C . 19466 1
56 . 1 1 13 13 LEU CA C 13 52.544 0.011 . 1 . . . . . 13 Leu CA . 19466 1
57 . 1 1 13 13 LEU CB C 13 46.170 0.030 . 1 . . . . . 13 Leu CB . 19466 1
58 . 1 1 13 13 LEU N N 15 128.377 0.045 . 1 . . . . . 13 Leu N . 19466 1
59 . 1 1 14 14 GLN H H 1 8.655 0.002 . 1 . . . . . 14 Gln H . 19466 1
60 . 1 1 14 14 GLN C C 13 175.527 0.000 . 1 . . . . . 14 Gln C . 19466 1
61 . 1 1 14 14 GLN CA C 13 54.669 0.018 . 1 . . . . . 14 Gln CA . 19466 1
62 . 1 1 14 14 GLN CB C 13 29.258 0.006 . 1 . . . . . 14 Gln CB . 19466 1
63 . 1 1 14 14 GLN N N 15 121.022 0.059 . 1 . . . . . 14 Gln N . 19466 1
64 . 1 1 15 15 LYS H H 1 8.041 0.004 . 1 . . . . . 15 Lys H . 19466 1
65 . 1 1 15 15 LYS C C 13 177.650 0.000 . 1 . . . . . 15 Lys C . 19466 1
66 . 1 1 15 15 LYS CA C 13 55.689 0.007 . 1 . . . . . 15 Lys CA . 19466 1
67 . 1 1 15 15 LYS CB C 13 34.520 0.000 . 1 . . . . . 15 Lys CB . 19466 1
68 . 1 1 15 15 LYS N N 15 119.458 0.102 . 1 . . . . . 15 Lys N . 19466 1
69 . 1 1 16 16 ASP H H 1 8.804 0.002 . 1 . . . . . 16 Asp H . 19466 1
70 . 1 1 16 16 ASP C C 13 178.454 0.000 . 1 . . . . . 16 Asp C . 19466 1
71 . 1 1 16 16 ASP CA C 13 52.521 0.063 . 1 . . . . . 16 Asp CA . 19466 1
72 . 1 1 16 16 ASP CB C 13 41.207 0.018 . 1 . . . . . 16 Asp CB . 19466 1
73 . 1 1 16 16 ASP N N 15 121.360 0.063 . 1 . . . . . 16 Asp N . 19466 1
74 . 1 1 17 17 ALA H H 1 8.433 0.006 . 1 . . . . . 17 Ala H . 19466 1
75 . 1 1 17 17 ALA C C 13 178.680 0.000 . 1 . . . . . 17 Ala C . 19466 1
76 . 1 1 17 17 ALA CA C 13 54.406 0.045 . 1 . . . . . 17 Ala CA . 19466 1
77 . 1 1 17 17 ALA CB C 13 18.395 0.000 . 1 . . . . . 17 Ala CB . 19466 1
78 . 1 1 17 17 ALA N N 15 119.822 0.100 . 1 . . . . . 17 Ala N . 19466 1
79 . 1 1 18 18 GLN H H 1 8.366 0.004 . 1 . . . . . 18 Gln H . 19466 1
80 . 1 1 18 18 GLN C C 13 175.181 0.000 . 1 . . . . . 18 Gln C . 19466 1
81 . 1 1 18 18 GLN CA C 13 55.285 0.026 . 1 . . . . . 18 Gln CA . 19466 1
82 . 1 1 18 18 GLN CB C 13 28.693 0.016 . 1 . . . . . 18 Gln CB . 19466 1
83 . 1 1 18 18 GLN N N 15 117.537 0.044 . 1 . . . . . 18 Gln N . 19466 1
84 . 1 1 19 19 ASN H H 1 8.482 0.003 . 1 . . . . . 19 Asn H . 19466 1
85 . 1 1 19 19 ASN C C 13 174.293 0.000 . 1 . . . . . 19 Asn C . 19466 1
86 . 1 1 19 19 ASN CA C 13 54.718 0.037 . 1 . . . . . 19 Asn CA . 19466 1
87 . 1 1 19 19 ASN CB C 13 37.523 0.025 . 1 . . . . . 19 Asn CB . 19466 1
88 . 1 1 19 19 ASN N N 15 114.257 0.052 . 1 . . . . . 19 Asn N . 19466 1
89 . 1 1 20 20 LEU H H 1 8.390 0.008 . 1 . . . . . 20 Leu H . 19466 1
90 . 1 1 20 20 LEU C C 13 178.033 0.000 . 1 . . . . . 20 Leu C . 19466 1
91 . 1 1 20 20 LEU CA C 13 54.289 0.002 . 1 . . . . . 20 Leu CA . 19466 1
92 . 1 1 20 20 LEU CB C 13 44.933 0.003 . 1 . . . . . 20 Leu CB . 19466 1
93 . 1 1 20 20 LEU N N 15 119.512 0.059 . 1 . . . . . 20 Leu N . 19466 1
94 . 1 1 21 21 ILE H H 1 11.223 0.006 . 1 . . . . . 21 Ile H . 19466 1
95 . 1 1 21 21 ILE C C 13 175.904 0.000 . 1 . . . . . 21 Ile C . 19466 1
96 . 1 1 21 21 ILE CA C 13 62.626 0.087 . 1 . . . . . 21 Ile CA . 19466 1
97 . 1 1 21 21 ILE CB C 13 40.566 0.000 . 1 . . . . . 21 Ile CB . 19466 1
98 . 1 1 21 21 ILE N N 15 115.045 0.065 . 1 . . . . . 21 Ile N . 19466 1
99 . 1 1 22 22 GLY H H 1 10.056 0.011 . 1 . . . . . 22 Gly H . 19466 1
100 . 1 1 22 22 GLY C C 13 173.956 0.000 . 1 . . . . . 22 Gly C . 19466 1
101 . 1 1 22 22 GLY CA C 13 46.217 0.038 . 1 . . . . . 22 Gly CA . 19466 1
102 . 1 1 22 22 GLY N N 15 112.637 0.097 . 1 . . . . . 22 Gly N . 19466 1
103 . 1 1 23 23 ILE H H 1 8.073 0.010 . 1 . . . . . 23 Ile H . 19466 1
104 . 1 1 23 23 ILE C C 13 174.192 0.000 . 1 . . . . . 23 Ile C . 19466 1
105 . 1 1 23 23 ILE CA C 13 58.626 0.026 . 1 . . . . . 23 Ile CA . 19466 1
106 . 1 1 23 23 ILE CB C 13 42.221 0.012 . 1 . . . . . 23 Ile CB . 19466 1
107 . 1 1 23 23 ILE N N 15 110.975 0.063 . 1 . . . . . 23 Ile N . 19466 1
108 . 1 1 24 24 SER H H 1 8.232 0.005 . 1 . . . . . 24 Ser H . 19466 1
109 . 1 1 24 24 SER C C 13 174.539 0.000 . 1 . . . . . 24 Ser C . 19466 1
110 . 1 1 24 24 SER CA C 13 55.877 0.014 . 1 . . . . . 24 Ser CA . 19466 1
111 . 1 1 24 24 SER CB C 13 65.700 0.021 . 1 . . . . . 24 Ser CB . 19466 1
112 . 1 1 24 24 SER N N 15 114.422 0.062 . 1 . . . . . 24 Ser N . 19466 1
113 . 1 1 25 25 ILE H H 1 8.850 0.011 . 1 . . . . . 25 Ile H . 19466 1
114 . 1 1 25 25 ILE C C 13 174.704 0.000 . 1 . . . . . 25 Ile C . 19466 1
115 . 1 1 25 25 ILE CA C 13 59.959 0.000 . 1 . . . . . 25 Ile CA . 19466 1
116 . 1 1 25 25 ILE CB C 13 40.056 0.061 . 1 . . . . . 25 Ile CB . 19466 1
117 . 1 1 25 25 ILE N N 15 124.469 0.055 . 1 . . . . . 25 Ile N . 19466 1
118 . 1 1 26 26 GLY H H 1 9.153 0.006 . 1 . . . . . 26 Gly H . 19466 1
119 . 1 1 26 26 GLY C C 13 172.004 0.000 . 1 . . . . . 26 Gly C . 19466 1
120 . 1 1 26 26 GLY CA C 13 44.152 0.020 . 1 . . . . . 26 Gly CA . 19466 1
121 . 1 1 26 26 GLY N N 15 112.264 0.036 . 1 . . . . . 26 Gly N . 19466 1
122 . 1 1 27 27 GLY H H 1 8.498 0.004 . 1 . . . . . 27 Gly H . 19466 1
123 . 1 1 27 27 GLY C C 13 174.532 0.000 . 1 . . . . . 27 Gly C . 19466 1
124 . 1 1 27 27 GLY CA C 13 44.439 0.061 . 1 . . . . . 27 Gly CA . 19466 1
125 . 1 1 27 27 GLY N N 15 106.101 0.039 . 1 . . . . . 27 Gly N . 19466 1
126 . 1 1 28 28 GLY H H 1 8.459 0.014 . 1 . . . . . 28 Gly H . 19466 1
127 . 1 1 28 28 GLY C C 13 173.898 0.000 . 1 . . . . . 28 Gly C . 19466 1
128 . 1 1 28 28 GLY CA C 13 46.216 0.040 . 1 . . . . . 28 Gly CA . 19466 1
129 . 1 1 28 28 GLY N N 15 110.274 0.111 . 1 . . . . . 28 Gly N . 19466 1
130 . 1 1 29 29 ALA H H 1 8.088 0.007 . 1 . . . . . 29 Ala H . 19466 1
131 . 1 1 29 29 ALA CA C 13 51.538 0.024 . 1 . . . . . 29 Ala CA . 19466 1
132 . 1 1 29 29 ALA CB C 13 20.838 0.004 . 1 . . . . . 29 Ala CB . 19466 1
133 . 1 1 29 29 ALA N N 15 123.626 0.063 . 1 . . . . . 29 Ala N . 19466 1
134 . 1 1 31 31 TYR C C 13 175.340 0.000 . 1 . . . . . 31 Tyr C . 19466 1
135 . 1 1 31 31 TYR CA C 13 58.065 0.000 . 1 . . . . . 31 Tyr CA . 19466 1
136 . 1 1 31 31 TYR CB C 13 37.216 0.000 . 1 . . . . . 31 Tyr CB . 19466 1
137 . 1 1 32 32 CYS H H 1 7.632 0.004 . 1 . . . . . 32 Cys H . 19466 1
138 . 1 1 32 32 CYS CA C 13 56.802 0.000 . 1 . . . . . 32 Cys CA . 19466 1
139 . 1 1 32 32 CYS CB C 13 28.078 0.000 . 1 . . . . . 32 Cys CB . 19466 1
140 . 1 1 32 32 CYS N N 15 120.142 0.148 . 1 . . . . . 32 Cys N . 19466 1
141 . 1 1 35 35 LEU C C 13 175.538 0.000 . 1 . . . . . 35 Leu C . 19466 1
142 . 1 1 35 35 LEU CA C 13 53.255 0.000 . 1 . . . . . 35 Leu CA . 19466 1
143 . 1 1 35 35 LEU CB C 13 44.249 0.000 . 1 . . . . . 35 Leu CB . 19466 1
144 . 1 1 36 36 TYR H H 1 8.554 0.005 . 1 . . . . . 36 Tyr H . 19466 1
145 . 1 1 36 36 TYR C C 13 175.301 0.000 . 1 . . . . . 36 Tyr C . 19466 1
146 . 1 1 36 36 TYR CA C 13 59.232 0.000 . 1 . . . . . 36 Tyr CA . 19466 1
147 . 1 1 36 36 TYR CB C 13 42.536 0.000 . 1 . . . . . 36 Tyr CB . 19466 1
148 . 1 1 36 36 TYR N N 15 117.189 0.110 . 1 . . . . . 36 Tyr N . 19466 1
149 . 1 1 37 37 ILE H H 1 8.938 0.004 . 1 . . . . . 37 Ile H . 19466 1
150 . 1 1 37 37 ILE C C 13 176.108 0.000 . 1 . . . . . 37 Ile C . 19466 1
151 . 1 1 37 37 ILE CA C 13 61.814 0.007 . 1 . . . . . 37 Ile CA . 19466 1
152 . 1 1 37 37 ILE CB C 13 37.639 0.000 . 1 . . . . . 37 Ile CB . 19466 1
153 . 1 1 37 37 ILE N N 15 120.510 0.093 . 1 . . . . . 37 Ile N . 19466 1
154 . 1 1 38 38 VAL H H 1 8.990 0.002 . 1 . . . . . 38 Val H . 19466 1
155 . 1 1 38 38 VAL C C 13 175.035 0.000 . 1 . . . . . 38 Val C . 19466 1
156 . 1 1 38 38 VAL CA C 13 63.020 0.019 . 1 . . . . . 38 Val CA . 19466 1
157 . 1 1 38 38 VAL CB C 13 32.336 0.000 . 1 . . . . . 38 Val CB . 19466 1
158 . 1 1 38 38 VAL N N 15 127.234 0.045 . 1 . . . . . 38 Val N . 19466 1
159 . 1 1 39 39 GLN H H 1 7.196 0.003 . 1 . . . . . 39 Gln H . 19466 1
160 . 1 1 39 39 GLN C C 13 172.438 0.000 . 1 . . . . . 39 Gln C . 19466 1
161 . 1 1 39 39 GLN CA C 13 55.314 0.028 . 1 . . . . . 39 Gln CA . 19466 1
162 . 1 1 39 39 GLN CB C 13 32.153 0.025 . 1 . . . . . 39 Gln CB . 19466 1
163 . 1 1 39 39 GLN N N 15 116.441 0.055 . 1 . . . . . 39 Gln N . 19466 1
164 . 1 1 40 40 VAL H H 1 8.417 0.002 . 1 . . . . . 40 Val H . 19466 1
165 . 1 1 40 40 VAL C C 13 176.602 0.000 . 1 . . . . . 40 Val C . 19466 1
166 . 1 1 40 40 VAL CA C 13 61.050 0.021 . 1 . . . . . 40 Val CA . 19466 1
167 . 1 1 40 40 VAL CB C 13 32.875 0.000 . 1 . . . . . 40 Val CB . 19466 1
168 . 1 1 40 40 VAL N N 15 123.293 0.038 . 1 . . . . . 40 Val N . 19466 1
169 . 1 1 41 41 PHE H H 1 8.703 0.003 . 1 . . . . . 41 Phe H . 19466 1
170 . 1 1 41 41 PHE C C 13 175.543 0.000 . 1 . . . . . 41 Phe C . 19466 1
171 . 1 1 41 41 PHE CA C 13 58.572 0.058 . 1 . . . . . 41 Phe CA . 19466 1
172 . 1 1 41 41 PHE CB C 13 39.475 0.036 . 1 . . . . . 41 Phe CB . 19466 1
173 . 1 1 41 41 PHE N N 15 128.490 0.038 . 1 . . . . . 41 Phe N . 19466 1
174 . 1 1 42 42 ASP H H 1 8.989 0.003 . 1 . . . . . 42 Asp H . 19466 1
175 . 1 1 42 42 ASP C C 13 176.926 0.000 . 1 . . . . . 42 Asp C . 19466 1
176 . 1 1 42 42 ASP CA C 13 55.387 0.016 . 1 . . . . . 42 Asp CA . 19466 1
177 . 1 1 42 42 ASP CB C 13 41.120 0.013 . 1 . . . . . 42 Asp CB . 19466 1
178 . 1 1 42 42 ASP N N 15 122.660 0.033 . 1 . . . . . 42 Asp N . 19466 1
179 . 1 1 43 43 ASN H H 1 9.326 0.003 . 1 . . . . . 43 Asn H . 19466 1
180 . 1 1 43 43 ASN C C 13 173.768 0.000 . 1 . . . . . 43 Asn C . 19466 1
181 . 1 1 43 43 ASN CA C 13 54.898 0.016 . 1 . . . . . 43 Asn CA . 19466 1
182 . 1 1 43 43 ASN CB C 13 37.181 0.017 . 1 . . . . . 43 Asn CB . 19466 1
183 . 1 1 43 43 ASN N N 15 113.876 0.056 . 1 . . . . . 43 Asn N . 19466 1
184 . 1 1 44 44 THR H H 1 7.165 0.003 . 1 . . . . . 44 Thr H . 19466 1
185 . 1 1 44 44 THR CA C 13 59.824 0.001 . 1 . . . . . 44 Thr CA . 19466 1
186 . 1 1 44 44 THR CB C 13 69.222 0.024 . 1 . . . . . 44 Thr CB . 19466 1
187 . 1 1 44 44 THR N N 15 107.965 0.037 . 1 . . . . . 44 Thr N . 19466 1
188 . 1 1 45 45 PRO C C 13 180.139 0.000 . 1 . . . . . 45 Pro C . 19466 1
189 . 1 1 45 45 PRO CA C 13 66.197 0.096 . 1 . . . . . 45 Pro CA . 19466 1
190 . 1 1 45 45 PRO CB C 13 33.256 0.000 . 1 . . . . . 45 Pro CB . 19466 1
191 . 1 1 46 46 ALA H H 1 9.337 0.004 . 1 . . . . . 46 Ala H . 19466 1
192 . 1 1 46 46 ALA C C 13 180.698 0.000 . 1 . . . . . 46 Ala C . 19466 1
193 . 1 1 46 46 ALA CA C 13 55.146 0.016 . 1 . . . . . 46 Ala CA . 19466 1
194 . 1 1 46 46 ALA CB C 13 18.660 0.079 . 1 . . . . . 46 Ala CB . 19466 1
195 . 1 1 46 46 ALA N N 15 117.131 0.075 . 1 . . . . . 46 Ala N . 19466 1
196 . 1 1 47 47 ALA H H 1 7.619 0.003 . 1 . . . . . 47 Ala H . 19466 1
197 . 1 1 47 47 ALA C C 13 179.864 0.000 . 1 . . . . . 47 Ala C . 19466 1
198 . 1 1 47 47 ALA CA C 13 54.986 0.035 . 1 . . . . . 47 Ala CA . 19466 1
199 . 1 1 47 47 ALA CB C 13 19.652 0.022 . 1 . . . . . 47 Ala CB . 19466 1
200 . 1 1 47 47 ALA N N 15 123.464 0.031 . 1 . . . . . 47 Ala N . 19466 1
201 . 1 1 48 48 LEU H H 1 8.670 0.002 . 1 . . . . . 48 Leu H . 19466 1
202 . 1 1 48 48 LEU C C 13 179.236 0.000 . 1 . . . . . 48 Leu C . 19466 1
203 . 1 1 48 48 LEU CA C 13 57.292 0.021 . 1 . . . . . 48 Leu CA . 19466 1
204 . 1 1 48 48 LEU CB C 13 41.480 0.043 . 1 . . . . . 48 Leu CB . 19466 1
205 . 1 1 48 48 LEU N N 15 118.500 0.049 . 1 . . . . . 48 Leu N . 19466 1
206 . 1 1 49 49 ASP H H 1 7.755 0.002 . 1 . . . . . 49 Asp H . 19466 1
207 . 1 1 49 49 ASP CA C 13 57.057 0.013 . 1 . . . . . 49 Asp CA . 19466 1
208 . 1 1 49 49 ASP CB C 13 44.580 0.015 . 1 . . . . . 49 Asp CB . 19466 1
209 . 1 1 49 49 ASP N N 15 117.449 0.029 . 1 . . . . . 49 Asp N . 19466 1
210 . 1 1 50 50 GLY H H 1 7.258 0.005 . 1 . . . . . 50 Gly H . 19466 1
211 . 1 1 50 50 GLY C C 13 174.618 0.000 . 1 . . . . . 50 Gly C . 19466 1
212 . 1 1 50 50 GLY CA C 13 46.422 0.016 . 1 . . . . . 50 Gly CA . 19466 1
213 . 1 1 50 50 GLY N N 15 103.132 0.038 . 1 . . . . . 50 Gly N . 19466 1
214 . 1 1 51 51 THR H H 1 8.347 0.006 . 1 . . . . . 51 Thr H . 19466 1
215 . 1 1 51 51 THR C C 13 175.824 0.000 . 1 . . . . . 51 Thr C . 19466 1
216 . 1 1 51 51 THR CA C 13 66.737 0.024 . 1 . . . . . 51 Thr CA . 19466 1
217 . 1 1 51 51 THR CB C 13 68.131 0.000 . 1 . . . . . 51 Thr CB . 19466 1
218 . 1 1 51 51 THR N N 15 117.803 0.029 . 1 . . . . . 51 Thr N . 19466 1
219 . 1 1 52 52 VAL H H 1 8.183 0.003 . 1 . . . . . 52 Val H . 19466 1
220 . 1 1 52 52 VAL C C 13 173.626 0.000 . 1 . . . . . 52 Val C . 19466 1
221 . 1 1 52 52 VAL CA C 13 60.591 0.050 . 1 . . . . . 52 Val CA . 19466 1
222 . 1 1 52 52 VAL CB C 13 33.226 0.025 . 1 . . . . . 52 Val CB . 19466 1
223 . 1 1 52 52 VAL N N 15 113.983 0.034 . 1 . . . . . 52 Val N . 19466 1
224 . 1 1 53 53 ALA H H 1 8.661 0.005 . 1 . . . . . 53 Ala H . 19466 1
225 . 1 1 53 53 ALA C C 13 175.300 0.000 . 1 . . . . . 53 Ala C . 19466 1
226 . 1 1 53 53 ALA CA C 13 50.202 0.010 . 1 . . . . . 53 Ala CA . 19466 1
227 . 1 1 53 53 ALA CB C 13 23.282 0.001 . 1 . . . . . 53 Ala CB . 19466 1
228 . 1 1 53 53 ALA N N 15 123.753 0.038 . 1 . . . . . 53 Ala N . 19466 1
229 . 1 1 54 54 ALA H H 1 8.453 0.004 . 1 . . . . . 54 Ala H . 19466 1
230 . 1 1 54 54 ALA C C 13 178.455 0.000 . 1 . . . . . 54 Ala C . 19466 1
231 . 1 1 54 54 ALA CA C 13 52.992 0.050 . 1 . . . . . 54 Ala CA . 19466 1
232 . 1 1 54 54 ALA CB C 13 17.992 0.059 . 1 . . . . . 54 Ala CB . 19466 1
233 . 1 1 54 54 ALA N N 15 120.739 0.028 . 1 . . . . . 54 Ala N . 19466 1
234 . 1 1 55 55 GLY H H 1 9.649 0.006 . 1 . . . . . 55 Gly H . 19466 1
235 . 1 1 55 55 GLY C C 13 173.709 0.000 . 1 . . . . . 55 Gly C . 19466 1
236 . 1 1 55 55 GLY CA C 13 44.751 0.031 . 1 . . . . . 55 Gly CA . 19466 1
237 . 1 1 55 55 GLY N N 15 112.712 0.035 . 1 . . . . . 55 Gly N . 19466 1
238 . 1 1 56 56 ASP H H 1 8.097 0.002 . 1 . . . . . 56 Asp H . 19466 1
239 . 1 1 56 56 ASP C C 13 172.451 0.000 . 1 . . . . . 56 Asp C . 19466 1
240 . 1 1 56 56 ASP CA C 13 55.614 0.056 . 1 . . . . . 56 Asp CA . 19466 1
241 . 1 1 56 56 ASP CB C 13 40.605 0.011 . 1 . . . . . 56 Asp CB . 19466 1
242 . 1 1 56 56 ASP N N 15 121.493 0.038 . 1 . . . . . 56 Asp N . 19466 1
243 . 1 1 57 57 GLU H H 1 8.528 0.006 . 1 . . . . . 57 Glu H . 19466 1
244 . 1 1 57 57 GLU C C 13 177.111 0.000 . 1 . . . . . 57 Glu C . 19466 1
245 . 1 1 57 57 GLU CA C 13 54.759 0.024 . 1 . . . . . 57 Glu CA . 19466 1
246 . 1 1 57 57 GLU CB C 13 32.754 0.023 . 1 . . . . . 57 Glu CB . 19466 1
247 . 1 1 57 57 GLU N N 15 122.991 0.040 . 1 . . . . . 57 Glu N . 19466 1
248 . 1 1 58 58 ILE H H 1 8.559 0.006 . 1 . . . . . 58 Ile H . 19466 1
249 . 1 1 58 58 ILE C C 13 174.925 0.000 . 1 . . . . . 58 Ile C . 19466 1
250 . 1 1 58 58 ILE CA C 13 60.091 0.006 . 1 . . . . . 58 Ile CA . 19466 1
251 . 1 1 58 58 ILE CB C 13 39.578 0.000 . 1 . . . . . 58 Ile CB . 19466 1
252 . 1 1 58 58 ILE N N 15 125.586 0.085 . 1 . . . . . 58 Ile N . 19466 1
253 . 1 1 59 59 THR H H 1 9.187 0.006 . 1 . . . . . 59 Thr H . 19466 1
254 . 1 1 59 59 THR C C 13 176.424 0.000 . 1 . . . . . 59 Thr C . 19466 1
255 . 1 1 59 59 THR CA C 13 61.147 0.014 . 1 . . . . . 59 Thr CA . 19466 1
256 . 1 1 59 59 THR CB C 13 69.602 0.000 . 1 . . . . . 59 Thr CB . 19466 1
257 . 1 1 59 59 THR N N 15 115.333 0.068 . 1 . . . . . 59 Thr N . 19466 1
258 . 1 1 60 60 GLY H H 1 7.849 0.003 . 1 . . . . . 60 Gly H . 19466 1
259 . 1 1 60 60 GLY C C 13 170.922 0.000 . 1 . . . . . 60 Gly C . 19466 1
260 . 1 1 60 60 GLY CA C 13 46.539 0.020 . 1 . . . . . 60 Gly CA . 19466 1
261 . 1 1 60 60 GLY N N 15 111.382 0.038 . 1 . . . . . 60 Gly N . 19466 1
262 . 1 1 61 61 VAL H H 1 8.331 0.006 . 1 . . . . . 61 Val H . 19466 1
263 . 1 1 61 61 VAL CA C 13 60.964 0.029 . 1 . . . . . 61 Val CA . 19466 1
264 . 1 1 61 61 VAL CB C 13 36.488 0.000 . 1 . . . . . 61 Val CB . 19466 1
265 . 1 1 61 61 VAL N N 15 119.213 0.044 . 1 . . . . . 61 Val N . 19466 1
266 . 1 1 62 62 ASN H H 1 10.407 0.006 . 1 . . . . . 62 Asn H . 19466 1
267 . 1 1 62 62 ASN CA C 13 54.421 0.000 . 1 . . . . . 62 Asn CA . 19466 1
268 . 1 1 62 62 ASN CB C 13 36.704 0.000 . 1 . . . . . 62 Asn CB . 19466 1
269 . 1 1 62 62 ASN N N 15 127.892 0.038 . 1 . . . . . 62 Asn N . 19466 1
270 . 1 1 63 63 GLY H H 1 8.892 0.007 . 1 . . . . . 63 Gly H . 19466 1
271 . 1 1 63 63 GLY C C 13 173.585 0.000 . 1 . . . . . 63 Gly C . 19466 1
272 . 1 1 63 63 GLY CA C 13 45.284 0.000 . 1 . . . . . 63 Gly CA . 19466 1
273 . 1 1 63 63 GLY N N 15 104.647 0.033 . 1 . . . . . 63 Gly N . 19466 1
274 . 1 1 64 64 ARG H H 1 7.781 0.005 . 1 . . . . . 64 Arg H . 19466 1
275 . 1 1 64 64 ARG CA C 13 54.237 0.000 . 1 . . . . . 64 Arg CA . 19466 1
276 . 1 1 64 64 ARG CB C 13 31.568 0.042 . 1 . . . . . 64 Arg CB . 19466 1
277 . 1 1 64 64 ARG N N 15 120.524 0.051 . 1 . . . . . 64 Arg N . 19466 1
278 . 1 1 65 65 SER C C 13 176.850 0.000 . 1 . . . . . 65 Ser C . 19466 1
279 . 1 1 65 65 SER CA C 13 58.136 0.000 . 1 . . . . . 65 Ser CA . 19466 1
280 . 1 1 65 65 SER CB C 13 63.687 0.000 . 1 . . . . . 65 Ser CB . 19466 1
281 . 1 1 66 66 ILE H H 1 7.630 0.005 . 1 . . . . . 66 Ile H . 19466 1
282 . 1 1 66 66 ILE C C 13 174.830 0.000 . 1 . . . . . 66 Ile C . 19466 1
283 . 1 1 66 66 ILE CA C 13 59.235 0.018 . 1 . . . . . 66 Ile CA . 19466 1
284 . 1 1 66 66 ILE CB C 13 36.743 0.000 . 1 . . . . . 66 Ile CB . 19466 1
285 . 1 1 66 66 ILE N N 15 116.758 0.050 . 1 . . . . . 66 Ile N . 19466 1
286 . 1 1 67 67 LYS H H 1 7.848 0.003 . 1 . . . . . 67 Lys H . 19466 1
287 . 1 1 67 67 LYS CA C 13 58.467 0.014 . 1 . . . . . 67 Lys CA . 19466 1
288 . 1 1 67 67 LYS CB C 13 31.818 0.009 . 1 . . . . . 67 Lys CB . 19466 1
289 . 1 1 67 67 LYS N N 15 122.397 0.056 . 1 . . . . . 67 Lys N . 19466 1
290 . 1 1 68 68 GLY H H 1 8.974 0.005 . 1 . . . . . 68 Gly H . 19466 1
291 . 1 1 68 68 GLY C C 13 174.476 0.000 . 1 . . . . . 68 Gly C . 19466 1
292 . 1 1 68 68 GLY CA C 13 45.384 0.003 . 1 . . . . . 68 Gly CA . 19466 1
293 . 1 1 68 68 GLY N N 15 114.932 0.027 . 1 . . . . . 68 Gly N . 19466 1
294 . 1 1 69 69 LYS H H 1 7.878 0.002 . 1 . . . . . 69 Lys H . 19466 1
295 . 1 1 69 69 LYS C C 13 176.813 0.000 . 1 . . . . . 69 Lys C . 19466 1
296 . 1 1 69 69 LYS CA C 13 54.716 0.037 . 1 . . . . . 69 Lys CA . 19466 1
297 . 1 1 69 69 LYS CB C 13 34.225 0.023 . 1 . . . . . 69 Lys CB . 19466 1
298 . 1 1 69 69 LYS N N 15 119.760 0.028 . 1 . . . . . 69 Lys N . 19466 1
299 . 1 1 70 70 THR H H 1 9.111 0.004 . 1 . . . . . 70 Thr H . 19466 1
300 . 1 1 70 70 THR C C 13 175.881 0.000 . 1 . . . . . 70 Thr C . 19466 1
301 . 1 1 70 70 THR CA C 13 60.385 0.021 . 1 . . . . . 70 Thr CA . 19466 1
302 . 1 1 70 70 THR CB C 13 71.759 0.024 . 1 . . . . . 70 Thr CB . 19466 1
303 . 1 1 70 70 THR N N 15 111.422 0.043 . 1 . . . . . 70 Thr N . 19466 1
304 . 1 1 71 71 LYS H H 1 8.951 0.005 . 1 . . . . . 71 Lys H . 19466 1
305 . 1 1 71 71 LYS C C 13 177.073 0.000 . 1 . . . . . 71 Lys C . 19466 1
306 . 1 1 71 71 LYS CA C 13 59.827 0.040 . 1 . . . . . 71 Lys CA . 19466 1
307 . 1 1 71 71 LYS CB C 13 31.541 0.000 . 1 . . . . . 71 Lys CB . 19466 1
308 . 1 1 71 71 LYS N N 15 118.625 0.095 . 1 . . . . . 71 Lys N . 19466 1
309 . 1 1 72 72 VAL H H 1 7.198 0.003 . 1 . . . . . 72 Val H . 19466 1
310 . 1 1 72 72 VAL C C 13 177.977 0.000 . 1 . . . . . 72 Val C . 19466 1
311 . 1 1 72 72 VAL CA C 13 65.232 0.034 . 1 . . . . . 72 Val CA . 19466 1
312 . 1 1 72 72 VAL CB C 13 31.978 0.025 . 1 . . . . . 72 Val CB . 19466 1
313 . 1 1 72 72 VAL N N 15 117.481 0.055 . 1 . . . . . 72 Val N . 19466 1
314 . 1 1 73 73 GLU H H 1 7.514 0.005 . 1 . . . . . 73 Glu H . 19466 1
315 . 1 1 73 73 GLU C C 13 180.168 0.000 . 1 . . . . . 73 Glu C . 19466 1
316 . 1 1 73 73 GLU CA C 13 59.194 0.019 . 1 . . . . . 73 Glu CA . 19466 1
317 . 1 1 73 73 GLU CB C 13 30.467 0.000 . 1 . . . . . 73 Glu CB . 19466 1
318 . 1 1 73 73 GLU N N 15 120.192 0.028 . 1 . . . . . 73 Glu N . 19466 1
319 . 1 1 74 74 VAL H H 1 8.410 0.013 . 1 . . . . . 74 Val H . 19466 1
320 . 1 1 74 74 VAL C C 13 176.747 0.000 . 1 . . . . . 74 Val C . 19466 1
321 . 1 1 74 74 VAL CA C 13 66.976 0.019 . 1 . . . . . 74 Val CA . 19466 1
322 . 1 1 74 74 VAL CB C 13 31.440 0.000 . 1 . . . . . 74 Val CB . 19466 1
323 . 1 1 74 74 VAL N N 15 120.778 0.202 . 1 . . . . . 74 Val N . 19466 1
324 . 1 1 75 75 ALA H H 1 8.113 0.004 . 1 . . . . . 75 Ala H . 19466 1
325 . 1 1 75 75 ALA C C 13 179.924 0.000 . 1 . . . . . 75 Ala C . 19466 1
326 . 1 1 75 75 ALA CA C 13 55.887 0.018 . 1 . . . . . 75 Ala CA . 19466 1
327 . 1 1 75 75 ALA CB C 13 17.407 0.091 . 1 . . . . . 75 Ala CB . 19466 1
328 . 1 1 75 75 ALA N N 15 122.363 0.047 . 1 . . . . . 75 Ala N . 19466 1
329 . 1 1 76 76 LYS H H 1 7.989 0.003 . 1 . . . . . 76 Lys H . 19466 1
330 . 1 1 76 76 LYS C C 13 178.285 0.000 . 1 . . . . . 76 Lys C . 19466 1
331 . 1 1 76 76 LYS CA C 13 59.272 0.023 . 1 . . . . . 76 Lys CA . 19466 1
332 . 1 1 76 76 LYS CB C 13 32.103 0.072 . 1 . . . . . 76 Lys CB . 19466 1
333 . 1 1 76 76 LYS N N 15 117.131 0.107 . 1 . . . . . 76 Lys N . 19466 1
334 . 1 1 77 77 MET H H 1 8.022 0.002 . 1 . . . . . 77 Met H . 19466 1
335 . 1 1 77 77 MET C C 13 178.944 0.000 . 1 . . . . . 77 Met C . 19466 1
336 . 1 1 77 77 MET CA C 13 59.109 0.027 . 1 . . . . . 77 Met CA . 19466 1
337 . 1 1 77 77 MET CB C 13 33.737 0.021 . 1 . . . . . 77 Met CB . 19466 1
338 . 1 1 77 77 MET N N 15 118.781 0.035 . 1 . . . . . 77 Met N . 19466 1
339 . 1 1 78 78 ILE H H 1 7.988 0.003 . 1 . . . . . 78 Ile H . 19466 1
340 . 1 1 78 78 ILE C C 13 178.849 0.000 . 1 . . . . . 78 Ile C . 19466 1
341 . 1 1 78 78 ILE CA C 13 65.915 0.050 . 1 . . . . . 78 Ile CA . 19466 1
342 . 1 1 78 78 ILE CB C 13 37.939 0.000 . 1 . . . . . 78 Ile CB . 19466 1
343 . 1 1 78 78 ILE N N 15 118.212 0.053 . 1 . . . . . 78 Ile N . 19466 1
344 . 1 1 79 79 GLN H H 1 8.633 0.005 . 1 . . . . . 79 Gln H . 19466 1
345 . 1 1 79 79 GLN C C 13 178.400 0.000 . 1 . . . . . 79 Gln C . 19466 1
346 . 1 1 79 79 GLN CA C 13 59.019 0.010 . 1 . . . . . 79 Gln CA . 19466 1
347 . 1 1 79 79 GLN CB C 13 28.760 0.055 . 1 . . . . . 79 Gln CB . 19466 1
348 . 1 1 79 79 GLN N N 15 121.315 0.035 . 1 . . . . . 79 Gln N . 19466 1
349 . 1 1 80 80 GLU H H 1 8.005 0.004 . 1 . . . . . 80 Glu H . 19466 1
350 . 1 1 80 80 GLU C C 13 176.947 0.000 . 1 . . . . . 80 Glu C . 19466 1
351 . 1 1 80 80 GLU CA C 13 57.855 0.018 . 1 . . . . . 80 Glu CA . 19466 1
352 . 1 1 80 80 GLU CB C 13 29.994 0.015 . 1 . . . . . 80 Glu CB . 19466 1
353 . 1 1 80 80 GLU N N 15 115.388 0.070 . 1 . . . . . 80 Glu N . 19466 1
354 . 1 1 81 81 VAL H H 1 7.214 0.002 . 1 . . . . . 81 Val H . 19466 1
355 . 1 1 81 81 VAL C C 13 175.743 0.000 . 1 . . . . . 81 Val C . 19466 1
356 . 1 1 81 81 VAL CA C 13 63.212 0.023 . 1 . . . . . 81 Val CA . 19466 1
357 . 1 1 81 81 VAL CB C 13 31.937 0.059 . 1 . . . . . 81 Val CB . 19466 1
358 . 1 1 81 81 VAL N N 15 120.040 0.042 . 1 . . . . . 81 Val N . 19466 1
359 . 1 1 82 82 LYS H H 1 8.688 0.005 . 1 . . . . . 82 Lys H . 19466 1
360 . 1 1 82 82 LYS C C 13 177.870 0.000 . 1 . . . . . 82 Lys C . 19466 1
361 . 1 1 82 82 LYS CA C 13 55.380 0.006 . 1 . . . . . 82 Lys CA . 19466 1
362 . 1 1 82 82 LYS CB C 13 32.687 0.066 . 1 . . . . . 82 Lys CB . 19466 1
363 . 1 1 82 82 LYS N N 15 127.581 0.042 . 1 . . . . . 82 Lys N . 19466 1
364 . 1 1 83 83 GLY H H 1 8.850 0.002 . 1 . . . . . 83 Gly H . 19466 1
365 . 1 1 83 83 GLY C C 13 173.649 0.000 . 1 . . . . . 83 Gly C . 19466 1
366 . 1 1 83 83 GLY CA C 13 46.949 0.065 . 1 . . . . . 83 Gly CA . 19466 1
367 . 1 1 83 83 GLY N N 15 112.157 0.030 . 1 . . . . . 83 Gly N . 19466 1
368 . 1 1 84 84 GLU H H 1 8.347 0.013 . 1 . . . . . 84 Glu H . 19466 1
369 . 1 1 84 84 GLU C C 13 173.803 0.000 . 1 . . . . . 84 Glu C . 19466 1
370 . 1 1 84 84 GLU CA C 13 55.319 0.045 . 1 . . . . . 84 Glu CA . 19466 1
371 . 1 1 84 84 GLU CB C 13 31.710 0.035 . 1 . . . . . 84 Glu CB . 19466 1
372 . 1 1 84 84 GLU N N 15 121.757 0.052 . 1 . . . . . 84 Glu N . 19466 1
373 . 1 1 85 85 VAL H H 1 9.056 0.005 . 1 . . . . . 85 Val H . 19466 1
374 . 1 1 85 85 VAL C C 13 172.421 0.000 . 1 . . . . . 85 Val C . 19466 1
375 . 1 1 85 85 VAL CA C 13 59.937 0.013 . 1 . . . . . 85 Val CA . 19466 1
376 . 1 1 85 85 VAL CB C 13 35.461 0.000 . 1 . . . . . 85 Val CB . 19466 1
377 . 1 1 85 85 VAL N N 15 119.551 0.089 . 1 . . . . . 85 Val N . 19466 1
378 . 1 1 86 86 THR H H 1 9.311 0.006 . 1 . . . . . 86 Thr H . 19466 1
379 . 1 1 86 86 THR C C 13 173.796 0.000 . 1 . . . . . 86 Thr C . 19466 1
380 . 1 1 86 86 THR CA C 13 61.724 0.046 . 1 . . . . . 86 Thr CA . 19466 1
381 . 1 1 86 86 THR CB C 13 69.402 0.000 . 1 . . . . . 86 Thr CB . 19466 1
382 . 1 1 86 86 THR N N 15 125.184 0.050 . 1 . . . . . 86 Thr N . 19466 1
383 . 1 1 87 87 ILE H H 1 9.327 0.006 . 1 . . . . . 87 Ile H . 19466 1
384 . 1 1 87 87 ILE C C 13 174.591 0.000 . 1 . . . . . 87 Ile C . 19466 1
385 . 1 1 87 87 ILE CA C 13 58.445 0.082 . 1 . . . . . 87 Ile CA . 19466 1
386 . 1 1 87 87 ILE CB C 13 38.662 0.000 . 1 . . . . . 87 Ile CB . 19466 1
387 . 1 1 87 87 ILE N N 15 128.273 0.111 . 1 . . . . . 87 Ile N . 19466 1
388 . 1 1 88 88 HIS H H 1 8.623 0.005 . 1 . . . . . 88 His H . 19466 1
389 . 1 1 88 88 HIS C C 13 174.667 0.000 . 1 . . . . . 88 His C . 19466 1
390 . 1 1 88 88 HIS CA C 13 54.561 0.000 . 1 . . . . . 88 His CA . 19466 1
391 . 1 1 88 88 HIS N N 15 128.057 0.050 . 1 . . . . . 88 His N . 19466 1
392 . 1 1 89 89 TYR H H 1 8.380 0.010 . 1 . . . . . 89 Tyr H . 19466 1
393 . 1 1 89 89 TYR C C 13 174.010 0.000 . 1 . . . . . 89 Tyr C . 19466 1
394 . 1 1 89 89 TYR CA C 13 55.621 0.035 . 1 . . . . . 89 Tyr CA . 19466 1
395 . 1 1 89 89 TYR CB C 13 42.317 0.002 . 1 . . . . . 89 Tyr CB . 19466 1
396 . 1 1 89 89 TYR N N 15 121.158 0.184 . 1 . . . . . 89 Tyr N . 19466 1
397 . 1 1 90 90 ASN H H 1 9.157 0.007 . 1 . . . . . 90 Asn H . 19466 1
398 . 1 1 90 90 ASN C C 13 175.431 0.000 . 1 . . . . . 90 Asn C . 19466 1
399 . 1 1 90 90 ASN CA C 13 52.034 0.044 . 1 . . . . . 90 Asn CA . 19466 1
400 . 1 1 90 90 ASN CB C 13 42.077 0.000 . 1 . . . . . 90 Asn CB . 19466 1
401 . 1 1 90 90 ASN N N 15 116.375 0.068 . 1 . . . . . 90 Asn N . 19466 1
402 . 1 1 91 91 LYS H H 1 8.995 0.007 . 1 . . . . . 91 Lys H . 19466 1
403 . 1 1 91 91 LYS C C 13 176.847 0.000 . 1 . . . . . 91 Lys C . 19466 1
404 . 1 1 91 91 LYS CA C 13 54.898 0.045 . 1 . . . . . 91 Lys CA . 19466 1
405 . 1 1 91 91 LYS CB C 13 32.608 0.000 . 1 . . . . . 91 Lys CB . 19466 1
406 . 1 1 91 91 LYS N N 15 123.449 0.067 . 1 . . . . . 91 Lys N . 19466 1
407 . 1 1 92 92 LEU H H 1 9.148 0.005 . 1 . . . . . 92 Leu H . 19466 1
408 . 1 1 92 92 LEU CA C 13 54.925 0.067 . 1 . . . . . 92 Leu CA . 19466 1
409 . 1 1 92 92 LEU CB C 13 42.774 0.000 . 1 . . . . . 92 Leu CB . 19466 1
410 . 1 1 92 92 LEU N N 15 126.378 0.049 . 1 . . . . . 92 Leu N . 19466 1
411 . 1 1 93 93 GLN H H 1 8.508 0.006 . 1 . . . . . 93 Gln H . 19466 1
412 . 1 1 93 93 GLN C C 13 175.303 0.000 . 1 . . . . . 93 Gln C . 19466 1
413 . 1 1 93 93 GLN CA C 13 55.529 0.033 . 1 . . . . . 93 Gln CA . 19466 1
414 . 1 1 93 93 GLN CB C 13 29.272 0.040 . 1 . . . . . 93 Gln CB . 19466 1
415 . 1 1 93 93 GLN N N 15 121.995 0.068 . 1 . . . . . 93 Gln N . 19466 1
416 . 1 1 94 94 ALA H H 1 8.315 0.004 . 1 . . . . . 94 Ala H . 19466 1
417 . 1 1 94 94 ALA C C 13 176.528 0.000 . 1 . . . . . 94 Ala C . 19466 1
418 . 1 1 94 94 ALA CA C 13 51.893 0.017 . 1 . . . . . 94 Ala CA . 19466 1
419 . 1 1 94 94 ALA CB C 13 19.939 0.020 . 1 . . . . . 94 Ala CB . 19466 1
420 . 1 1 94 94 ALA N N 15 125.012 0.065 . 1 . . . . . 94 Ala N . 19466 1
421 . 1 1 95 95 ASP H H 1 8.450 0.004 . 1 . . . . . 95 Asp H . 19466 1
422 . 1 1 95 95 ASP CB C 13 41.674 0.010 . 1 . . . . . 95 Asp CB . 19466 1
423 . 1 1 95 95 ASP N N 15 121.877 0.059 . 1 . . . . . 95 Asp N . 19466 1
424 . 1 1 96 96 PRO C C 13 178.438 0.000 . 1 . . . . . 96 Pro C . 19466 1
425 . 1 1 96 96 PRO CA C 13 64.869 0.000 . 1 . . . . . 96 Pro CA . 19466 1
426 . 1 1 96 96 PRO CB C 13 32.236 0.000 . 1 . . . . . 96 Pro CB . 19466 1
427 . 1 1 97 97 LYS H H 1 8.387 0.003 . 1 . . . . . 97 Lys H . 19466 1
428 . 1 1 97 97 LYS C C 13 178.271 0.000 . 1 . . . . . 97 Lys C . 19466 1
429 . 1 1 97 97 LYS CA C 13 57.777 0.019 . 1 . . . . . 97 Lys CA . 19466 1
430 . 1 1 97 97 LYS CB C 13 31.813 0.037 . 1 . . . . . 97 Lys CB . 19466 1
431 . 1 1 97 97 LYS N N 15 118.159 0.101 . 1 . . . . . 97 Lys N . 19466 1
432 . 1 1 98 98 GLN H H 1 7.922 0.002 . 1 . . . . . 98 Gln H . 19466 1
433 . 1 1 98 98 GLN C C 13 177.298 0.000 . 1 . . . . . 98 Gln C . 19466 1
434 . 1 1 98 98 GLN CA C 13 57.012 0.000 . 1 . . . . . 98 Gln CA . 19466 1
435 . 1 1 98 98 GLN CB C 13 28.806 0.067 . 1 . . . . . 98 Gln CB . 19466 1
436 . 1 1 98 98 GLN N N 15 119.000 0.044 . 1 . . . . . 98 Gln N . 19466 1
437 . 1 1 99 99 LEU H H 1 7.919 0.004 . 1 . . . . . 99 Leu H . 19466 1
438 . 1 1 99 99 LEU C C 13 177.861 0.000 . 1 . . . . . 99 Leu C . 19466 1
439 . 1 1 99 99 LEU CA C 13 56.475 0.016 . 1 . . . . . 99 Leu CA . 19466 1
440 . 1 1 99 99 LEU CB C 13 41.755 0.000 . 1 . . . . . 99 Leu CB . 19466 1
441 . 1 1 99 99 LEU N N 15 120.221 0.052 . 1 . . . . . 99 Leu N . 19466 1
442 . 1 1 100 100 GLU H H 1 7.942 0.005 . 1 . . . . . 100 Glu H . 19466 1
443 . 1 1 100 100 GLU C C 13 177.705 0.000 . 1 . . . . . 100 Glu C . 19466 1
444 . 1 1 100 100 GLU CA C 13 58.268 0.040 . 1 . . . . . 100 Glu CA . 19466 1
445 . 1 1 100 100 GLU CB C 13 29.833 0.084 . 1 . . . . . 100 Glu CB . 19466 1
446 . 1 1 100 100 GLU N N 15 119.154 0.064 . 1 . . . . . 100 Glu N . 19466 1
447 . 1 1 101 101 VAL H H 1 7.636 0.009 . 1 . . . . . 101 Val H . 19466 1
448 . 1 1 101 101 VAL C C 13 177.161 0.000 . 1 . . . . . 101 Val C . 19466 1
449 . 1 1 101 101 VAL CA C 13 63.786 0.026 . 1 . . . . . 101 Val CA . 19466 1
450 . 1 1 101 101 VAL CB C 13 32.213 0.000 . 1 . . . . . 101 Val CB . 19466 1
451 . 1 1 101 101 VAL N N 15 118.032 0.079 . 1 . . . . . 101 Val N . 19466 1
452 . 1 1 102 102 LEU H H 1 7.869 0.007 . 1 . . . . . 102 Leu H . 19466 1
453 . 1 1 102 102 LEU C C 13 177.712 0.000 . 1 . . . . . 102 Leu C . 19466 1
454 . 1 1 102 102 LEU CA C 13 56.054 0.035 . 1 . . . . . 102 Leu CA . 19466 1
455 . 1 1 102 102 LEU CB C 13 42.278 0.106 . 1 . . . . . 102 Leu CB . 19466 1
456 . 1 1 102 102 LEU N N 15 121.859 0.091 . 1 . . . . . 102 Leu N . 19466 1
457 . 1 1 103 103 PHE H H 1 7.979 0.008 . 1 . . . . . 103 Phe H . 19466 1
458 . 1 1 103 103 PHE C C 13 175.735 0.000 . 1 . . . . . 103 Phe C . 19466 1
459 . 1 1 103 103 PHE CA C 13 57.440 0.033 . 1 . . . . . 103 Phe CA . 19466 1
460 . 1 1 103 103 PHE CB C 13 39.189 0.042 . 1 . . . . . 103 Phe CB . 19466 1
461 . 1 1 103 103 PHE N N 15 117.760 0.085 . 1 . . . . . 103 Phe N . 19466 1
462 . 1 1 104 104 GLN H H 1 8.001 0.006 . 1 . . . . . 104 Gln H . 19466 1
463 . 1 1 104 104 GLN C C 13 175.894 0.000 . 1 . . . . . 104 Gln C . 19466 1
464 . 1 1 104 104 GLN CA C 13 55.676 0.020 . 1 . . . . . 104 Gln CA . 19466 1
465 . 1 1 104 104 GLN CB C 13 29.543 0.025 . 1 . . . . . 104 Gln CB . 19466 1
466 . 1 1 104 104 GLN N N 15 120.287 0.057 . 1 . . . . . 104 Gln N . 19466 1
467 . 1 1 105 105 GLY H H 1 8.015 0.007 . 1 . . . . . 105 Gly H . 19466 1
468 . 1 1 105 105 GLY CA C 13 45.000 0.053 . 1 . . . . . 105 Gly CA . 19466 1
469 . 1 1 105 105 GLY N N 15 109.514 0.146 . 1 . . . . . 105 Gly N . 19466 1
470 . 1 1 107 107 ALA C C 13 177.913 0.000 . 1 . . . . . 107 Ala C . 19466 1
471 . 1 1 107 107 ALA CA C 13 52.660 0.000 . 1 . . . . . 107 Ala CA . 19466 1
472 . 1 1 107 107 ALA CB C 13 18.957 0.000 . 1 . . . . . 107 Ala CB . 19466 1
473 . 1 1 108 108 ARG H H 1 8.329 0.008 . 1 . . . . . 108 Arg H . 19466 1
474 . 1 1 108 108 ARG CA C 13 56.476 0.000 . 1 . . . . . 108 Arg CA . 19466 1
475 . 1 1 108 108 ARG N N 15 120.159 0.093 . 1 . . . . . 108 Arg N . 19466 1
476 . 1 1 109 109 GLY C C 13 174.234 0.000 . 1 . . . . . 109 Gly C . 19466 1
477 . 1 1 109 109 GLY CA C 13 45.242 0.000 . 1 . . . . . 109 Gly CA . 19466 1
478 . 1 1 110 110 THR H H 1 8.074 0.004 . 1 . . . . . 110 Thr H . 19466 1
479 . 1 1 110 110 THR N N 15 113.144 0.087 . 1 . . . . . 110 Thr N . 19466 1
480 . 1 1 112 112 GLU CA C 13 56.690 0.000 . 1 . . . . . 112 Glu CA . 19466 1
481 . 1 1 112 112 GLU CB C 13 30.442 0.000 . 1 . . . . . 112 Glu CB . 19466 1
482 . 1 1 113 113 ASP H H 1 8.181 0.004 . 1 . . . . . 113 Asp H . 19466 1
483 . 1 1 113 113 ASP CA C 13 54.365 0.067 . 1 . . . . . 113 Asp CA . 19466 1
484 . 1 1 113 113 ASP CB C 13 41.429 0.163 . 1 . . . . . 113 Asp CB . 19466 1
485 . 1 1 113 113 ASP N N 15 120.593 0.070 . 1 . . . . . 113 Asp N . 19466 1
486 . 1 1 114 114 PHE H H 1 8.580 0.003 . 1 . . . . . 114 Phe H . 19466 1
487 . 1 1 114 114 PHE C C 13 174.527 0.000 . 1 . . . . . 114 Phe C . 19466 1
488 . 1 1 114 114 PHE CA C 13 56.945 0.000 . 1 . . . . . 114 Phe CA . 19466 1
489 . 1 1 114 114 PHE N N 15 120.980 0.125 . 1 . . . . . 114 Phe N . 19466 1
490 . 1 1 115 115 THR H H 1 8.009 0.006 . 1 . . . . . 115 Thr H . 19466 1
491 . 1 1 115 115 THR C C 13 173.584 0.000 . 1 . . . . . 115 Thr C . 19466 1
492 . 1 1 115 115 THR CA C 13 61.482 0.076 . 1 . . . . . 115 Thr CA . 19466 1
493 . 1 1 115 115 THR CB C 13 70.551 0.105 . 1 . . . . . 115 Thr CB . 19466 1
494 . 1 1 115 115 THR N N 15 116.275 0.090 . 1 . . . . . 115 Thr N . 19466 1
495 . 1 1 116 116 CYS H H 1 9.262 0.006 . 1 . . . . . 116 Cys H . 19466 1
496 . 1 1 116 116 CYS HG H 1 3.060 0.000 . 1 . . . . . 116 Cys HG . 19466 1
497 . 1 1 116 116 CYS CA C 13 58.871 0.014 . 1 . . . . . 116 Cys CA . 19466 1
498 . 1 1 116 116 CYS CB C 13 30.261 0.046 . 1 . . . . . 116 Cys CB . 19466 1
499 . 1 1 116 116 CYS N N 15 123.415 0.099 . 1 . . . . . 116 Cys N . 19466 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_PICK1_PDZ_ASIC1a_C-terminal_minor_state
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode PICK1_PDZ_ASIC1a_C-terminal_minor_state
_Assigned_chem_shift_list.Entry_ID 19466
_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 $DSS
_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' . . . 19466 2
2 '3D HNCO_NLS' . . . 19466 2
3 '3D HNCA_NLS' . . . 19466 2
4 '3D CBCA(CO)NH_NLS' . . . 19466 2
5 '3D HN(CO)CA_NLS' . . . 19466 2
6 '3D HNCACB_NLS' . . . 19466 2
7 '3D HCCH-TOCSY_NLS' . . . 19466 2
8 '3D H(CCO)NH_NLS' . . . 19466 2
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.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 19 19 ASN H H 1 8.473 0.015 . 1 . . . . . 19 Asn H . 19466 2
2 . 1 1 19 19 ASN CA C 13 51.182 0.000 . 1 . . . . . 19 Asn CA . 19466 2
3 . 1 1 19 19 ASN N N 15 114.242 0.021 . 1 . . . . . 19 Asn N . 19466 2
4 . 1 1 20 20 LEU C C 13 176.015 0.000 . 1 . . . . . 20 Leu C . 19466 2
5 . 1 1 20 20 LEU CA C 13 54.347 0.000 . 1 . . . . . 20 Leu CA . 19466 2
6 . 1 1 20 20 LEU CB C 13 40.984 0.000 . 1 . . . . . 20 Leu CB . 19466 2
7 . 1 1 21 21 ILE H H 1 8.175 0.007 . 1 . . . . . 21 Ile H . 19466 2
8 . 1 1 21 21 ILE CA C 13 58.589 0.000 . 1 . . . . . 21 Ile CA . 19466 2
9 . 1 1 21 21 ILE N N 15 121.713 0.077 . 1 . . . . . 21 Ile N . 19466 2
10 . 1 1 22 22 GLY H H 1 10.046 0.005 . 1 . . . . . 22 Gly H . 19466 2
11 . 1 1 22 22 GLY CA C 13 45.062 0.000 . 1 . . . . . 22 Gly CA . 19466 2
12 . 1 1 22 22 GLY N N 15 112.679 0.030 . 1 . . . . . 22 Gly N . 19466 2
13 . 1 1 23 23 ILE H H 1 8.075 0.001 . 1 . . . . . 23 Ile H . 19466 2
14 . 1 1 23 23 ILE C C 13 174.388 0.196 . 1 . . . . . 23 Ile C . 19466 2
15 . 1 1 23 23 ILE N N 15 112.560 3.190 . 1 . . . . . 23 Ile N . 19466 2
16 . 1 1 24 24 SER C C 13 175.021 0.000 . 1 . . . . . 24 Ser C . 19466 2
17 . 1 1 25 25 ILE H H 1 8.819 0.000 . 1 . . . . . 25 Ile H . 19466 2
18 . 1 1 25 25 ILE N N 15 123.963 0.006 . 1 . . . . . 25 Ile N . 19466 2
19 . 1 1 26 26 GLY CA C 13 172.196 0.000 . 1 . . . . . 26 Gly CA . 19466 2
20 . 1 1 27 27 GLY H H 1 8.534 0.001 . 1 . . . . . 27 Gly H . 19466 2
21 . 1 1 27 27 GLY N N 15 106.213 0.041 . 1 . . . . . 27 Gly N . 19466 2
22 . 1 1 28 28 GLY H H 1 8.501 0.000 . 1 . . . . . 28 Gly H . 19466 2
23 . 1 1 28 28 GLY N N 15 109.876 0.000 . 1 . . . . . 28 Gly N . 19466 2
24 . 1 1 36 36 TYR H H 1 8.516 0.003 . 1 . . . . . 36 Tyr H . 19466 2
25 . 1 1 36 36 TYR CA C 13 54.217 0.000 . 1 . . . . . 36 Tyr CA . 19466 2
26 . 1 1 36 36 TYR N N 15 117.352 0.060 . 1 . . . . . 36 Tyr N . 19466 2
27 . 1 1 38 38 VAL H H 1 8.938 0.000 . 1 . . . . . 38 Val H . 19466 2
28 . 1 1 38 38 VAL CA C 13 62.965 0.000 . 1 . . . . . 38 Val CA . 19466 2
29 . 1 1 38 38 VAL N N 15 127.258 0.000 . 1 . . . . . 38 Val N . 19466 2
30 . 1 1 39 39 GLN H H 1 7.228 0.001 . 1 . . . . . 39 Gln H . 19466 2
31 . 1 1 39 39 GLN CA C 13 55.441 0.000 . 1 . . . . . 39 Gln CA . 19466 2
32 . 1 1 39 39 GLN N N 15 116.865 0.049 . 1 . . . . . 39 Gln N . 19466 2
33 . 1 1 42 42 ASP CB C 13 41.947 0.000 . 1 . . . . . 42 Asp CB . 19466 2
34 . 1 1 43 43 ASN H H 1 9.250 0.009 . 1 . . . . . 43 Asn H . 19466 2
35 . 1 1 43 43 ASN N N 15 114.119 0.169 . 1 . . . . . 43 Asn N . 19466 2
36 . 1 1 46 46 ALA H H 1 9.302 0.002 . 1 . . . . . 46 Ala H . 19466 2
37 . 1 1 46 46 ALA CA C 13 56.524 0.000 . 1 . . . . . 46 Ala CA . 19466 2
38 . 1 1 46 46 ALA N N 15 117.257 0.073 . 1 . . . . . 46 Ala N . 19466 2
39 . 1 1 52 52 VAL H H 1 8.156 0.000 . 1 . . . . . 52 Val H . 19466 2
40 . 1 1 52 52 VAL N N 15 114.042 0.000 . 1 . . . . . 52 Val N . 19466 2
41 . 1 1 57 57 GLU C C 13 176.155 0.000 . 1 . . . . . 57 Glu C . 19466 2
42 . 1 1 58 58 ILE H H 1 8.507 0.005 . 1 . . . . . 58 Ile H . 19466 2
43 . 1 1 58 58 ILE CA C 13 59.641 0.000 . 1 . . . . . 58 Ile CA . 19466 2
44 . 1 1 58 58 ILE N N 15 125.479 0.088 . 1 . . . . . 58 Ile N . 19466 2
45 . 1 1 59 59 THR H H 1 9.151 0.001 . 1 . . . . . 59 Thr H . 19466 2
46 . 1 1 59 59 THR N N 15 115.550 0.184 . 1 . . . . . 59 Thr N . 19466 2
47 . 1 1 70 70 THR H H 1 9.053 0.004 . 1 . . . . . 70 Thr H . 19466 2
48 . 1 1 70 70 THR CA C 13 59.744 0.000 . 1 . . . . . 70 Thr CA . 19466 2
49 . 1 1 70 70 THR N N 15 111.322 0.116 . 1 . . . . . 70 Thr N . 19466 2
50 . 1 1 71 71 LYS C C 13 176.178 0.000 . 1 . . . . . 71 Lys C . 19466 2
51 . 1 1 71 71 LYS CA C 13 56.706 0.000 . 1 . . . . . 71 Lys CA . 19466 2
52 . 1 1 71 71 LYS CB C 13 32.854 0.000 . 1 . . . . . 71 Lys CB . 19466 2
53 . 1 1 72 72 VAL H H 1 8.264 0.004 . 1 . . . . . 72 Val H . 19466 2
54 . 1 1 72 72 VAL CA C 13 61.170 0.000 . 1 . . . . . 72 Val CA . 19466 2
55 . 1 1 72 72 VAL N N 15 122.645 0.025 . 1 . . . . . 72 Val N . 19466 2
56 . 1 1 75 75 ALA H H 1 8.149 0.004 . 1 . . . . . 75 Ala H . 19466 2
57 . 1 1 75 75 ALA CA C 13 55.936 0.000 . 1 . . . . . 75 Ala CA . 19466 2
58 . 1 1 75 75 ALA N N 15 122.632 0.006 . 1 . . . . . 75 Ala N . 19466 2
59 . 1 1 76 76 LYS CB C 13 32.031 0.000 . 1 . . . . . 76 Lys CB . 19466 2
60 . 1 1 77 77 MET H H 1 8.030 0.006 . 1 . . . . . 77 Met H . 19466 2
61 . 1 1 77 77 MET CA C 13 55.717 0.000 . 1 . . . . . 77 Met CA . 19466 2
62 . 1 1 77 77 MET N N 15 118.684 0.101 . 1 . . . . . 77 Met N . 19466 2
63 . 1 1 80 80 GLU H H 1 7.998 0.014 . 1 . . . . . 80 Glu H . 19466 2
64 . 1 1 80 80 GLU CA C 13 57.890 0.000 . 1 . . . . . 80 Glu CA . 19466 2
65 . 1 1 80 80 GLU N N 15 115.378 0.085 . 1 . . . . . 80 Glu N . 19466 2
66 . 1 1 89 89 TYR CA C 13 52.157 0.000 . 1 . . . . . 89 Tyr CA . 19466 2
67 . 1 1 90 90 ASN H H 1 9.107 0.002 . 1 . . . . . 90 Asn H . 19466 2
68 . 1 1 90 90 ASN CA C 13 52.085 0.064 . 1 . . . . . 90 Asn CA . 19466 2
69 . 1 1 90 90 ASN N N 15 116.451 0.032 . 1 . . . . . 90 Asn N . 19466 2
70 . 1 1 93 93 GLN C C 13 175.408 0.000 . 1 . . . . . 93 Gln C . 19466 2
71 . 1 1 94 94 ALA H H 1 8.249 0.002 . 1 . . . . . 94 Ala H . 19466 2
72 . 1 1 94 94 ALA N N 15 125.318 0.003 . 1 . . . . . 94 Ala N . 19466 2
73 . 1 1 96 96 PRO C C 13 176.034 0.000 . 1 . . . . . 96 Pro C . 19466 2
74 . 1 1 96 96 PRO CA C 13 63.401 0.000 . 1 . . . . . 96 Pro CA . 19466 2
75 . 1 1 97 97 LYS H H 1 8.099 0.006 . 1 . . . . . 97 Lys H . 19466 2
76 . 1 1 97 97 LYS CA C 13 57.367 0.000 . 1 . . . . . 97 Lys CA . 19466 2
77 . 1 1 97 97 LYS N N 15 127.020 0.039 . 1 . . . . . 97 Lys N . 19466 2
78 . 1 1 100 100 GLU C C 13 177.702 0.000 . 1 . . . . . 100 Glu C . 19466 2
79 . 1 1 100 100 GLU CA C 13 56.497 0.000 . 1 . . . . . 100 Glu CA . 19466 2
80 . 1 1 101 101 VAL H H 1 7.570 0.005 . 1 . . . . . 101 Val H . 19466 2
81 . 1 1 101 101 VAL CA C 13 64.051 0.000 . 1 . . . . . 101 Val CA . 19466 2
82 . 1 1 101 101 VAL N N 15 118.169 0.157 . 1 . . . . . 101 Val N . 19466 2
83 . 1 1 112 112 GLU CA C 13 56.788 0.000 . 1 . . . . . 112 Glu CA . 19466 2
84 . 1 1 113 113 ASP H H 1 8.142 0.003 . 1 . . . . . 113 Asp H . 19466 2
85 . 1 1 113 113 ASP C C 13 175.513 0.000 . 1 . . . . . 113 Asp C . 19466 2
86 . 1 1 113 113 ASP CA C 13 56.071 0.000 . 1 . . . . . 113 Asp CA . 19466 2
87 . 1 1 113 113 ASP CB C 13 41.228 0.000 . 1 . . . . . 113 Asp CB . 19466 2
88 . 1 1 113 113 ASP N N 15 120.252 0.048 . 1 . . . . . 113 Asp N . 19466 2
89 . 1 1 114 114 PHE H H 1 8.239 0.004 . 1 . . . . . 114 Phe H . 19466 2
90 . 1 1 114 114 PHE CA C 13 57.663 0.054 . 1 . . . . . 114 Phe CA . 19466 2
91 . 1 1 114 114 PHE CB C 13 39.739 0.000 . 1 . . . . . 114 Phe CB . 19466 2
92 . 1 1 114 114 PHE N N 15 120.940 0.164 . 1 . . . . . 114 Phe N . 19466 2
93 . 1 1 115 115 THR H H 1 8.261 0.001 . 1 . . . . . 115 Thr H . 19466 2
94 . 1 1 115 115 THR CA C 13 61.968 0.000 . 1 . . . . . 115 Thr CA . 19466 2
95 . 1 1 115 115 THR CB C 13 70.051 0.000 . 1 . . . . . 115 Thr CB . 19466 2
96 . 1 1 115 115 THR N N 15 116.226 0.101 . 1 . . . . . 115 Thr N . 19466 2
97 . 1 1 116 116 CYS H H 1 8.007 0.003 . 1 . . . . . 116 Cys H . 19466 2
98 . 1 1 116 116 CYS CA C 13 59.439 0.000 . 1 . . . . . 116 Cys CA . 19466 2
99 . 1 1 116 116 CYS N N 15 125.329 0.020 . 1 . . . . . 116 Cys N . 19466 2
stop_
save_