###################################
# 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 19113
_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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 19113 1
2 '3D HNCA' 1 $sample_1 isotropic 19113 1
3 '3D HN(CO)CA' 1 $sample_1 isotropic 19113 1
4 '3D HNCACB' 1 $sample_1 isotropic 19113 1
5 '3D HN(CO)CACB' 1 $sample_1 isotropic 19113 1
6 '3D HNCO' 1 $sample_1 isotropic 19113 1
7 '3D HCACO' 1 $sample_1 isotropic 19113 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET CA C 13 55.889 0.000 . 1 . . . . 0 MET CA . 19113 1
2 . 1 1 2 2 ILE H H 1 8.102 0.012 . 1 . . . . 1 ILE H . 19113 1
3 . 1 1 2 2 ILE CA C 13 60.157 0.042 . 1 . . . . 1 ILE CA . 19113 1
4 . 1 1 2 2 ILE N N 15 123.285 0.163 . 1 . . . . 1 ILE N . 19113 1
5 . 1 1 3 3 GLN H H 1 8.246 0.010 . 1 . . . . 2 GLN H . 19113 1
6 . 1 1 3 3 GLN C C 13 175.564 0.042 . 1 . . . . 2 GLN C . 19113 1
7 . 1 1 3 3 GLN CA C 13 54.536 0.013 . 1 . . . . 2 GLN CA . 19113 1
8 . 1 1 3 3 GLN CB C 13 30.357 0.000 . 1 . . . . 2 GLN CB . 19113 1
9 . 1 1 3 3 GLN N N 15 122.460 0.060 . 1 . . . . 2 GLN N . 19113 1
10 . 1 1 4 4 ARG H H 1 9.691 0.005 . 1 . . . . 3 ARG H . 19113 1
11 . 1 1 4 4 ARG C C 13 175.317 0.059 . 1 . . . . 3 ARG C . 19113 1
12 . 1 1 4 4 ARG CA C 13 54.804 0.000 . 1 . . . . 3 ARG CA . 19113 1
13 . 1 1 4 4 ARG CB C 13 33.439 0.000 . 1 . . . . 3 ARG CB . 19113 1
14 . 1 1 4 4 ARG N N 15 123.486 0.115 . 1 . . . . 3 ARG N . 19113 1
15 . 1 1 5 5 THR H H 1 8.521 0.005 . 1 . . . . 4 THR H . 19113 1
16 . 1 1 5 5 THR CA C 13 59.168 0.000 . 1 . . . . 4 THR CA . 19113 1
17 . 1 1 5 5 THR CB C 13 70.767 0.000 . 1 . . . . 4 THR CB . 19113 1
18 . 1 1 5 5 THR N N 15 121.162 0.086 . 1 . . . . 4 THR N . 19113 1
19 . 1 1 6 6 PRO C C 13 176.681 0.000 . 1 . . . . 5 PRO C . 19113 1
20 . 1 1 6 6 PRO CA C 13 62.574 0.000 . 1 . . . . 5 PRO CA . 19113 1
21 . 1 1 6 6 PRO CB C 13 30.742 0.000 . 1 . . . . 5 PRO CB . 19113 1
22 . 1 1 7 7 LYS H H 1 9.347 0.009 . 1 . . . . 6 LYS H . 19113 1
23 . 1 1 7 7 LYS C C 13 176.670 0.012 . 1 . . . . 6 LYS C . 19113 1
24 . 1 1 7 7 LYS CA C 13 55.774 0.041 . 1 . . . . 6 LYS CA . 19113 1
25 . 1 1 7 7 LYS CB C 13 31.650 0.000 . 1 . . . . 6 LYS CB . 19113 1
26 . 1 1 7 7 LYS N N 15 124.268 0.077 . 1 . . . . 6 LYS N . 19113 1
27 . 1 1 8 8 ILE H H 1 8.390 0.008 . 1 . . . . 7 ILE H . 19113 1
28 . 1 1 8 8 ILE C C 13 176.159 0.011 . 1 . . . . 7 ILE C . 19113 1
29 . 1 1 8 8 ILE CA C 13 60.960 0.050 . 1 . . . . 7 ILE CA . 19113 1
30 . 1 1 8 8 ILE CB C 13 41.811 0.026 . 1 . . . . 7 ILE CB . 19113 1
31 . 1 1 8 8 ILE N N 15 122.425 0.074 . 1 . . . . 7 ILE N . 19113 1
32 . 1 1 9 9 GLN H H 1 9.046 0.016 . 1 . . . . 8 GLN H . 19113 1
33 . 1 1 9 9 GLN C C 13 173.943 0.035 . 1 . . . . 8 GLN C . 19113 1
34 . 1 1 9 9 GLN CA C 13 56.114 0.000 . 1 . . . . 8 GLN CA . 19113 1
35 . 1 1 9 9 GLN CB C 13 34.762 0.010 . 1 . . . . 8 GLN CB . 19113 1
36 . 1 1 9 9 GLN N N 15 124.221 0.091 . 1 . . . . 8 GLN N . 19113 1
37 . 1 1 10 10 VAL H H 1 9.437 0.007 . 1 . . . . 9 VAL H . 19113 1
38 . 1 1 10 10 VAL C C 13 174.795 0.022 . 1 . . . . 9 VAL C . 19113 1
39 . 1 1 10 10 VAL CA C 13 60.363 0.079 . 1 . . . . 9 VAL CA . 19113 1
40 . 1 1 10 10 VAL CB C 13 33.610 0.006 . 1 . . . . 9 VAL CB . 19113 1
41 . 1 1 10 10 VAL N N 15 124.194 0.094 . 1 . . . . 9 VAL N . 19113 1
42 . 1 1 11 11 TYR H H 1 8.720 0.012 . 1 . . . . 10 TYR H . 19113 1
43 . 1 1 11 11 TYR C C 13 172.642 0.036 . 1 . . . . 10 TYR C . 19113 1
44 . 1 1 11 11 TYR CA C 13 56.763 0.000 . 1 . . . . 10 TYR CA . 19113 1
45 . 1 1 11 11 TYR CB C 13 37.477 0.002 . 1 . . . . 10 TYR CB . 19113 1
46 . 1 1 11 11 TYR N N 15 123.426 0.054 . 1 . . . . 10 TYR N . 19113 1
47 . 1 1 12 12 SER H H 1 9.075 0.013 . 1 . . . . 11 SER H . 19113 1
48 . 1 1 12 12 SER C C 13 175.644 0.026 . 1 . . . . 11 SER C . 19113 1
49 . 1 1 12 12 SER CA C 13 56.349 0.027 . 1 . . . . 11 SER CA . 19113 1
50 . 1 1 12 12 SER CB C 13 65.493 0.068 . 1 . . . . 11 SER CB . 19113 1
51 . 1 1 12 12 SER N N 15 113.852 0.133 . 1 . . . . 11 SER N . 19113 1
52 . 1 1 13 13 ARG H H 1 8.920 0.006 . 1 . . . . 12 ARG H . 19113 1
53 . 1 1 13 13 ARG C C 13 174.358 0.061 . 1 . . . . 12 ARG C . 19113 1
54 . 1 1 13 13 ARG CA C 13 59.935 0.016 . 1 . . . . 12 ARG CA . 19113 1
55 . 1 1 13 13 ARG N N 15 122.798 0.056 . 1 . . . . 12 ARG N . 19113 1
56 . 1 1 14 14 HIS H H 1 8.337 0.016 . 1 . . . . 13 HIS H . 19113 1
57 . 1 1 14 14 HIS CA C 13 52.399 0.000 . 1 . . . . 13 HIS CA . 19113 1
58 . 1 1 14 14 HIS CB C 13 30.026 0.000 . 1 . . . . 13 HIS CB . 19113 1
59 . 1 1 14 14 HIS N N 15 114.415 0.213 . 1 . . . . 13 HIS N . 19113 1
60 . 1 1 15 15 PRO CA C 13 64.057 0.015 . 1 . . . . 14 PRO CA . 19113 1
61 . 1 1 15 15 PRO CB C 13 30.323 0.000 . 1 . . . . 14 PRO CB . 19113 1
62 . 1 1 16 16 ALA H H 1 9.004 0.014 . 1 . . . . 15 ALA H . 19113 1
63 . 1 1 16 16 ALA C C 13 177.035 0.006 . 1 . . . . 15 ALA C . 19113 1
64 . 1 1 16 16 ALA CA C 13 53.050 0.086 . 1 . . . . 15 ALA CA . 19113 1
65 . 1 1 16 16 ALA CB C 13 19.191 0.017 . 1 . . . . 15 ALA CB . 19113 1
66 . 1 1 16 16 ALA N N 15 127.549 0.038 . 1 . . . . 15 ALA N . 19113 1
67 . 1 1 17 17 GLU H H 1 9.028 0.004 . 1 . . . . 16 GLU H . 19113 1
68 . 1 1 17 17 GLU C C 13 175.291 0.037 . 1 . . . . 16 GLU C . 19113 1
69 . 1 1 17 17 GLU CA C 13 54.772 0.026 . 1 . . . . 16 GLU CA . 19113 1
70 . 1 1 17 17 GLU CB C 13 31.706 0.000 . 1 . . . . 16 GLU CB . 19113 1
71 . 1 1 17 17 GLU N N 15 124.724 0.079 . 1 . . . . 16 GLU N . 19113 1
72 . 1 1 18 18 ASN H H 1 8.903 0.004 . 1 . . . . 17 ASN H . 19113 1
73 . 1 1 18 18 ASN C C 13 177.749 0.042 . 1 . . . . 17 ASN C . 19113 1
74 . 1 1 18 18 ASN CA C 13 54.195 0.000 . 1 . . . . 17 ASN CA . 19113 1
75 . 1 1 18 18 ASN CB C 13 36.314 0.009 . 1 . . . . 17 ASN CB . 19113 1
76 . 1 1 18 18 ASN N N 15 123.538 0.102 . 1 . . . . 17 ASN N . 19113 1
77 . 1 1 19 19 GLY H H 1 8.954 0.010 . 1 . . . . 18 GLY H . 19113 1
78 . 1 1 19 19 GLY C C 13 173.556 0.033 . 1 . . . . 18 GLY C . 19113 1
79 . 1 1 19 19 GLY CA C 13 45.098 0.000 . 1 . . . . 18 GLY CA . 19113 1
80 . 1 1 19 19 GLY N N 15 109.331 0.107 . 1 . . . . 18 GLY N . 19113 1
81 . 1 1 20 20 LYS H H 1 7.988 0.001 . 1 . . . . 19 LYS H . 19113 1
82 . 1 1 20 20 LYS C C 13 175.572 0.025 . 1 . . . . 19 LYS C . 19113 1
83 . 1 1 20 20 LYS CA C 13 54.025 0.004 . 1 . . . . 19 LYS CA . 19113 1
84 . 1 1 20 20 LYS CB C 13 32.583 0.013 . 1 . . . . 19 LYS CB . 19113 1
85 . 1 1 20 20 LYS N N 15 121.818 0.065 . 1 . . . . 19 LYS N . 19113 1
86 . 1 1 21 21 SER H H 1 8.453 0.005 . 1 . . . . 20 SER H . 19113 1
87 . 1 1 21 21 SER CA C 13 59.677 0.024 . 1 . . . . 20 SER CA . 19113 1
88 . 1 1 21 21 SER CB C 13 62.626 0.050 . 1 . . . . 20 SER CB . 19113 1
89 . 1 1 21 21 SER N N 15 120.501 0.052 . 1 . . . . 20 SER N . 19113 1
90 . 1 1 22 22 ASN H H 1 9.022 0.007 . 1 . . . . 21 ASN H . 19113 1
91 . 1 1 22 22 ASN C C 13 174.133 0.036 . 1 . . . . 21 ASN C . 19113 1
92 . 1 1 22 22 ASN CA C 13 51.250 0.019 . 1 . . . . 21 ASN CA . 19113 1
93 . 1 1 22 22 ASN CB C 13 41.755 0.021 . 1 . . . . 21 ASN CB . 19113 1
94 . 1 1 22 22 ASN N N 15 127.164 0.112 . 1 . . . . 21 ASN N . 19113 1
95 . 1 1 23 23 PHE H H 1 10.546 0.005 . 1 . . . . 22 PHE H . 19113 1
96 . 1 1 23 23 PHE C C 13 173.300 0.035 . 1 . . . . 22 PHE C . 19113 1
97 . 1 1 23 23 PHE CA C 13 57.940 0.016 . 1 . . . . 22 PHE CA . 19113 1
98 . 1 1 23 23 PHE CB C 13 42.340 0.000 . 1 . . . . 22 PHE CB . 19113 1
99 . 1 1 23 23 PHE N N 15 120.949 0.033 . 1 . . . . 22 PHE N . 19113 1
100 . 1 1 24 24 LEU H H 1 9.022 0.003 . 1 . . . . 23 LEU H . 19113 1
101 . 1 1 24 24 LEU CA C 13 53.207 0.008 . 1 . . . . 23 LEU CA . 19113 1
102 . 1 1 24 24 LEU CB C 13 39.879 0.000 . 1 . . . . 23 LEU CB . 19113 1
103 . 1 1 24 24 LEU N N 15 127.381 0.088 . 1 . . . . 23 LEU N . 19113 1
104 . 1 1 25 25 ASN H H 1 8.502 0.012 . 1 . . . . 24 ASN H . 19113 1
105 . 1 1 25 25 ASN C C 13 174.031 0.013 . 1 . . . . 24 ASN C . 19113 1
106 . 1 1 25 25 ASN CA C 13 50.714 0.000 . 1 . . . . 24 ASN CA . 19113 1
107 . 1 1 25 25 ASN CB C 13 39.961 0.000 . 1 . . . . 24 ASN CB . 19113 1
108 . 1 1 25 25 ASN N N 15 122.503 0.058 . 1 . . . . 24 ASN N . 19113 1
109 . 1 1 26 26 CYS H H 1 9.724 0.006 . 1 . . . . 25 CYS H . 19113 1
110 . 1 1 26 26 CYS C C 13 172.080 0.007 . 1 . . . . 25 CYS C . 19113 1
111 . 1 1 26 26 CYS CA C 13 53.925 0.000 . 1 . . . . 25 CYS CA . 19113 1
112 . 1 1 26 26 CYS N N 15 120.603 0.095 . 1 . . . . 25 CYS N . 19113 1
113 . 1 1 27 27 TYR H H 1 9.810 0.004 . 1 . . . . 26 TYR H . 19113 1
114 . 1 1 27 27 TYR C C 13 174.799 0.013 . 1 . . . . 26 TYR C . 19113 1
115 . 1 1 27 27 TYR CA C 13 55.285 0.000 . 1 . . . . 26 TYR CA . 19113 1
116 . 1 1 27 27 TYR CB C 13 41.643 0.000 . 1 . . . . 26 TYR CB . 19113 1
117 . 1 1 27 27 TYR N N 15 129.660 0.051 . 1 . . . . 26 TYR N . 19113 1
118 . 1 1 28 28 VAL H H 1 8.995 0.012 . 1 . . . . 27 VAL H . 19113 1
119 . 1 1 28 28 VAL C C 13 174.502 0.007 . 1 . . . . 27 VAL C . 19113 1
120 . 1 1 28 28 VAL CA C 13 58.436 0.081 . 1 . . . . 27 VAL CA . 19113 1
121 . 1 1 28 28 VAL CB C 13 32.619 0.041 . 1 . . . . 27 VAL CB . 19113 1
122 . 1 1 28 28 VAL N N 15 126.588 0.115 . 1 . . . . 27 VAL N . 19113 1
123 . 1 1 29 29 SER H H 1 8.950 0.018 . 1 . . . . 28 SER H . 19113 1
124 . 1 1 29 29 SER C C 13 174.809 0.009 . 1 . . . . 28 SER C . 19113 1
125 . 1 1 29 29 SER CA C 13 56.654 0.024 . 1 . . . . 28 SER CA . 19113 1
126 . 1 1 29 29 SER CB C 13 66.146 0.031 . 1 . . . . 28 SER CB . 19113 1
127 . 1 1 29 29 SER N N 15 117.476 0.109 . 1 . . . . 28 SER N . 19113 1
128 . 1 1 30 30 GLY H H 1 8.444 0.016 . 1 . . . . 29 GLY H . 19113 1
129 . 1 1 30 30 GLY C C 13 174.104 0.037 . 1 . . . . 29 GLY C . 19113 1
130 . 1 1 30 30 GLY CA C 13 45.972 0.026 . 1 . . . . 29 GLY CA . 19113 1
131 . 1 1 30 30 GLY N N 15 108.361 0.132 . 1 . . . . 29 GLY N . 19113 1
132 . 1 1 31 31 PHE H H 1 7.405 0.013 . 1 . . . . 30 PHE H . 19113 1
133 . 1 1 31 31 PHE C C 13 174.532 0.000 . 1 . . . . 30 PHE C . 19113 1
134 . 1 1 31 31 PHE CA C 13 54.190 0.000 . 1 . . . . 30 PHE CA . 19113 1
135 . 1 1 31 31 PHE CB C 13 41.954 0.000 . 1 . . . . 30 PHE CB . 19113 1
136 . 1 1 31 31 PHE N N 15 111.113 0.117 . 1 . . . . 30 PHE N . 19113 1
137 . 1 1 34 34 SER H H 1 8.970 0.031 . 1 . . . . 33 SER H . 19113 1
138 . 1 1 34 34 SER CA C 13 61.263 0.003 . 1 . . . . 33 SER CA . 19113 1
139 . 1 1 34 34 SER N N 15 112.671 0.037 . 1 . . . . 33 SER N . 19113 1
140 . 1 1 35 35 ASP H H 1 7.388 0.007 . 1 . . . . 34 ASP H . 19113 1
141 . 1 1 35 35 ASP C C 13 174.419 0.020 . 1 . . . . 34 ASP C . 19113 1
142 . 1 1 35 35 ASP CA C 13 55.196 0.086 . 1 . . . . 34 ASP CA . 19113 1
143 . 1 1 35 35 ASP CB C 13 39.756 0.014 . 1 . . . . 34 ASP CB . 19113 1
144 . 1 1 35 35 ASP N N 15 121.502 0.029 . 1 . . . . 34 ASP N . 19113 1
145 . 1 1 36 36 ILE H H 1 7.948 0.007 . 1 . . . . 35 ILE H . 19113 1
146 . 1 1 36 36 ILE C C 13 172.061 0.029 . 1 . . . . 35 ILE C . 19113 1
147 . 1 1 36 36 ILE CA C 13 60.704 0.016 . 1 . . . . 35 ILE CA . 19113 1
148 . 1 1 36 36 ILE CB C 13 40.138 0.058 . 1 . . . . 35 ILE CB . 19113 1
149 . 1 1 36 36 ILE N N 15 123.875 0.067 . 1 . . . . 35 ILE N . 19113 1
150 . 1 1 37 37 GLU H H 1 8.202 0.006 . 1 . . . . 36 GLU H . 19113 1
151 . 1 1 37 37 GLU C C 13 174.570 0.069 . 1 . . . . 36 GLU C . 19113 1
152 . 1 1 37 37 GLU CA C 13 54.689 0.011 . 1 . . . . 36 GLU CA . 19113 1
153 . 1 1 37 37 GLU CB C 13 31.475 0.038 . 1 . . . . 36 GLU CB . 19113 1
154 . 1 1 37 37 GLU N N 15 126.275 0.093 . 1 . . . . 36 GLU N . 19113 1
155 . 1 1 38 38 VAL H H 1 7.861 0.012 . 1 . . . . 37 VAL H . 19113 1
156 . 1 1 38 38 VAL C C 13 173.849 0.039 . 1 . . . . 37 VAL C . 19113 1
157 . 1 1 38 38 VAL CA C 13 60.622 0.021 . 1 . . . . 37 VAL CA . 19113 1
158 . 1 1 38 38 VAL CB C 13 32.833 0.035 . 1 . . . . 37 VAL CB . 19113 1
159 . 1 1 38 38 VAL N N 15 125.181 0.052 . 1 . . . . 37 VAL N . 19113 1
160 . 1 1 39 39 ASP H H 1 8.932 0.011 . 1 . . . . 38 ASP H . 19113 1
161 . 1 1 39 39 ASP C C 13 174.524 0.009 . 1 . . . . 38 ASP C . 19113 1
162 . 1 1 39 39 ASP CA C 13 52.397 0.059 . 1 . . . . 38 ASP CA . 19113 1
163 . 1 1 39 39 ASP CB C 13 45.316 0.036 . 1 . . . . 38 ASP CB . 19113 1
164 . 1 1 39 39 ASP N N 15 123.281 0.099 . 1 . . . . 38 ASP N . 19113 1
165 . 1 1 40 40 LEU H H 1 9.071 0.015 . 1 . . . . 39 LEU H . 19113 1
166 . 1 1 40 40 LEU C C 13 174.766 0.010 . 1 . . . . 39 LEU C . 19113 1
167 . 1 1 40 40 LEU CA C 13 53.442 0.000 . 1 . . . . 39 LEU CA . 19113 1
168 . 1 1 40 40 LEU CB C 13 42.715 0.040 . 1 . . . . 39 LEU CB . 19113 1
169 . 1 1 40 40 LEU N N 15 121.551 0.082 . 1 . . . . 39 LEU N . 19113 1
170 . 1 1 41 41 LEU H H 1 9.031 0.010 . 1 . . . . 40 LEU H . 19113 1
171 . 1 1 41 41 LEU C C 13 175.654 0.046 . 1 . . . . 40 LEU C . 19113 1
172 . 1 1 41 41 LEU CA C 13 53.025 0.000 . 1 . . . . 40 LEU CA . 19113 1
173 . 1 1 41 41 LEU CB C 13 44.434 0.052 . 1 . . . . 40 LEU CB . 19113 1
174 . 1 1 41 41 LEU N N 15 120.635 0.085 . 1 . . . . 40 LEU N . 19113 1
175 . 1 1 42 42 LYS H H 1 8.920 0.011 . 1 . . . . 41 LYS H . 19113 1
176 . 1 1 42 42 LYS C C 13 176.604 0.012 . 1 . . . . 41 LYS C . 19113 1
177 . 1 1 42 42 LYS CA C 13 54.147 0.001 . 1 . . . . 41 LYS CA . 19113 1
178 . 1 1 42 42 LYS CB C 13 33.191 0.092 . 1 . . . . 41 LYS CB . 19113 1
179 . 1 1 42 42 LYS N N 15 121.298 0.031 . 1 . . . . 41 LYS N . 19113 1
180 . 1 1 43 43 ASN H H 1 9.863 0.004 . 1 . . . . 42 ASN H . 19113 1
181 . 1 1 43 43 ASN C C 13 175.862 0.029 . 1 . . . . 42 ASN C . 19113 1
182 . 1 1 43 43 ASN CA C 13 54.397 0.076 . 1 . . . . 42 ASN CA . 19113 1
183 . 1 1 43 43 ASN CB C 13 36.763 0.091 . 1 . . . . 42 ASN CB . 19113 1
184 . 1 1 43 43 ASN N N 15 128.595 0.116 . 1 . . . . 42 ASN N . 19113 1
185 . 1 1 44 44 GLY H H 1 8.922 0.007 . 1 . . . . 43 GLY H . 19113 1
186 . 1 1 44 44 GLY C C 13 173.268 0.026 . 1 . . . . 43 GLY C . 19113 1
187 . 1 1 44 44 GLY CA C 13 45.088 0.001 . 1 . . . . 43 GLY CA . 19113 1
188 . 1 1 44 44 GLY N N 15 102.880 0.187 . 1 . . . . 43 GLY N . 19113 1
189 . 1 1 45 45 GLU H H 1 7.894 0.013 . 1 . . . . 44 GLU H . 19113 1
190 . 1 1 45 45 GLU C C 13 175.986 0.019 . 1 . . . . 44 GLU C . 19113 1
191 . 1 1 45 45 GLU CA C 13 54.200 0.054 . 1 . . . . 44 GLU CA . 19113 1
192 . 1 1 45 45 GLU CB C 13 30.885 0.007 . 1 . . . . 44 GLU CB . 19113 1
193 . 1 1 45 45 GLU N N 15 121.175 0.078 . 1 . . . . 44 GLU N . 19113 1
194 . 1 1 46 46 ARG H H 1 8.771 0.006 . 1 . . . . 45 ARG H . 19113 1
195 . 1 1 46 46 ARG C C 13 176.492 0.019 . 1 . . . . 45 ARG C . 19113 1
196 . 1 1 46 46 ARG CA C 13 57.455 0.000 . 1 . . . . 45 ARG CA . 19113 1
197 . 1 1 46 46 ARG CB C 13 29.539 0.000 . 1 . . . . 45 ARG CB . 19113 1
198 . 1 1 46 46 ARG N N 15 124.804 0.063 . 1 . . . . 45 ARG N . 19113 1
199 . 1 1 47 47 ILE H H 1 8.932 0.004 . 1 . . . . 46 ILE H . 19113 1
200 . 1 1 47 47 ILE C C 13 176.341 0.041 . 1 . . . . 46 ILE C . 19113 1
201 . 1 1 47 47 ILE CA C 13 61.866 0.065 . 1 . . . . 46 ILE CA . 19113 1
202 . 1 1 47 47 ILE CB C 13 37.984 0.074 . 1 . . . . 46 ILE CB . 19113 1
203 . 1 1 47 47 ILE N N 15 129.116 0.042 . 1 . . . . 46 ILE N . 19113 1
204 . 1 1 48 48 GLU H H 1 8.583 0.007 . 1 . . . . 47 GLU H . 19113 1
205 . 1 1 48 48 GLU C C 13 177.457 0.004 . 1 . . . . 47 GLU C . 19113 1
206 . 1 1 48 48 GLU CA C 13 58.389 0.009 . 1 . . . . 47 GLU CA . 19113 1
207 . 1 1 48 48 GLU CB C 13 29.815 0.030 . 1 . . . . 47 GLU CB . 19113 1
208 . 1 1 48 48 GLU N N 15 126.542 0.067 . 1 . . . . 47 GLU N . 19113 1
209 . 1 1 49 49 LYS H H 1 8.126 0.016 . 1 . . . . 48 LYS H . 19113 1
210 . 1 1 49 49 LYS C C 13 174.698 0.003 . 1 . . . . 48 LYS C . 19113 1
211 . 1 1 49 49 LYS CA C 13 55.614 0.046 . 1 . . . . 48 LYS CA . 19113 1
212 . 1 1 49 49 LYS CB C 13 29.807 0.019 . 1 . . . . 48 LYS CB . 19113 1
213 . 1 1 49 49 LYS N N 15 119.752 0.084 . 1 . . . . 48 LYS N . 19113 1
214 . 1 1 50 50 VAL H H 1 7.925 0.007 . 1 . . . . 49 VAL H . 19113 1
215 . 1 1 50 50 VAL C C 13 175.387 0.019 . 1 . . . . 49 VAL C . 19113 1
216 . 1 1 50 50 VAL CA C 13 61.181 0.043 . 1 . . . . 49 VAL CA . 19113 1
217 . 1 1 50 50 VAL CB C 13 33.822 0.014 . 1 . . . . 49 VAL CB . 19113 1
218 . 1 1 50 50 VAL N N 15 124.248 0.118 . 1 . . . . 49 VAL N . 19113 1
219 . 1 1 51 51 GLU H H 1 8.441 0.017 . 1 . . . . 50 GLU H . 19113 1
220 . 1 1 51 51 GLU C C 13 174.256 0.015 . 1 . . . . 50 GLU C . 19113 1
221 . 1 1 51 51 GLU CA C 13 54.128 0.011 . 1 . . . . 50 GLU CA . 19113 1
222 . 1 1 51 51 GLU CB C 13 31.829 0.022 . 1 . . . . 50 GLU CB . 19113 1
223 . 1 1 51 51 GLU N N 15 126.988 0.082 . 1 . . . . 50 GLU N . 19113 1
224 . 1 1 52 52 HIS H H 1 8.178 0.014 . 1 . . . . 51 HIS H . 19113 1
225 . 1 1 52 52 HIS C C 13 175.347 0.024 . 1 . . . . 51 HIS C . 19113 1
226 . 1 1 52 52 HIS CA C 13 53.236 0.085 . 1 . . . . 51 HIS CA . 19113 1
227 . 1 1 52 52 HIS CB C 13 30.101 0.038 . 1 . . . . 51 HIS CB . 19113 1
228 . 1 1 52 52 HIS N N 15 111.639 0.128 . 1 . . . . 51 HIS N . 19113 1
229 . 1 1 53 53 SER H H 1 9.172 0.011 . 1 . . . . 52 SER H . 19113 1
230 . 1 1 53 53 SER C C 13 173.891 0.018 . 1 . . . . 52 SER C . 19113 1
231 . 1 1 53 53 SER CA C 13 57.501 0.005 . 1 . . . . 52 SER CA . 19113 1
232 . 1 1 53 53 SER CB C 13 64.434 0.060 . 1 . . . . 52 SER CB . 19113 1
233 . 1 1 53 53 SER N N 15 116.965 0.097 . 1 . . . . 52 SER N . 19113 1
234 . 1 1 54 54 ASP H H 1 8.630 0.023 . 1 . . . . 53 ASP H . 19113 1
235 . 1 1 54 54 ASP C C 13 176.856 0.000 . 1 . . . . 53 ASP C . 19113 1
236 . 1 1 54 54 ASP CA C 13 54.387 0.000 . 1 . . . . 53 ASP CA . 19113 1
237 . 1 1 54 54 ASP CB C 13 42.360 0.096 . 1 . . . . 53 ASP CB . 19113 1
238 . 1 1 54 54 ASP N N 15 118.908 0.187 . 1 . . . . 53 ASP N . 19113 1
239 . 1 1 55 55 LEU H H 1 8.716 0.013 . 1 . . . . 54 LEU H . 19113 1
240 . 1 1 55 55 LEU C C 13 173.658 0.034 . 1 . . . . 54 LEU C . 19113 1
241 . 1 1 55 55 LEU CA C 13 57.613 0.000 . 1 . . . . 54 LEU CA . 19113 1
242 . 1 1 55 55 LEU CB C 13 42.368 0.013 . 1 . . . . 54 LEU CB . 19113 1
243 . 1 1 55 55 LEU N N 15 126.112 0.084 . 1 . . . . 54 LEU N . 19113 1
244 . 1 1 56 56 SER H H 1 6.895 0.018 . 1 . . . . 55 SER H . 19113 1
245 . 1 1 56 56 SER C C 13 171.685 0.000 . 1 . . . . 55 SER C . 19113 1
246 . 1 1 56 56 SER CA C 13 54.580 0.080 . 1 . . . . 55 SER CA . 19113 1
247 . 1 1 56 56 SER CB C 13 64.155 0.024 . 1 . . . . 55 SER CB . 19113 1
248 . 1 1 56 56 SER N N 15 118.078 0.066 . 1 . . . . 55 SER N . 19113 1
249 . 1 1 57 57 PHE H H 1 6.881 0.010 . 1 . . . . 56 PHE H . 19113 1
250 . 1 1 57 57 PHE C C 13 174.102 0.004 . 1 . . . . 56 PHE C . 19113 1
251 . 1 1 57 57 PHE CA C 13 54.614 0.095 . 1 . . . . 56 PHE CA . 19113 1
252 . 1 1 57 57 PHE CB C 13 40.933 0.024 . 1 . . . . 56 PHE CB . 19113 1
253 . 1 1 57 57 PHE N N 15 112.542 0.116 . 1 . . . . 56 PHE N . 19113 1
254 . 1 1 58 58 SER H H 1 8.948 0.004 . 1 . . . . 57 SER H . 19113 1
255 . 1 1 58 58 SER CA C 13 57.100 0.000 . 1 . . . . 57 SER CA . 19113 1
256 . 1 1 58 58 SER CB C 13 64.001 0.000 . 1 . . . . 57 SER CB . 19113 1
257 . 1 1 58 58 SER N N 15 115.340 0.132 . 1 . . . . 57 SER N . 19113 1
258 . 1 1 60 60 ASP H H 1 7.552 0.008 . 1 . . . . 59 ASP H . 19113 1
259 . 1 1 60 60 ASP C C 13 176.262 0.027 . 1 . . . . 59 ASP C . 19113 1
260 . 1 1 60 60 ASP CA C 13 52.953 0.012 . 1 . . . . 59 ASP CA . 19113 1
261 . 1 1 60 60 ASP CB C 13 39.246 0.076 . 1 . . . . 59 ASP CB . 19113 1
262 . 1 1 60 60 ASP N N 15 117.164 0.050 . 1 . . . . 59 ASP N . 19113 1
263 . 1 1 61 61 TRP H H 1 7.839 0.009 . 1 . . . . 60 TRP H . 19113 1
264 . 1 1 61 61 TRP HE1 H 1 10.682 0.000 . 1 . . . . 60 TRP HE1 . 19113 1
265 . 1 1 61 61 TRP C C 13 175.260 0.004 . 1 . . . . 60 TRP C . 19113 1
266 . 1 1 61 61 TRP CA C 13 59.099 0.000 . 1 . . . . 60 TRP CA . 19113 1
267 . 1 1 61 61 TRP CB C 13 26.022 0.000 . 1 . . . . 60 TRP CB . 19113 1
268 . 1 1 61 61 TRP N N 15 111.269 0.204 . 1 . . . . 60 TRP N . 19113 1
269 . 1 1 61 61 TRP NE1 N 15 130.426 0.000 . 1 . . . . 60 TRP NE1 . 19113 1
270 . 1 1 62 62 SER H H 1 8.295 0.008 . 1 . . . . 61 SER H . 19113 1
271 . 1 1 62 62 SER CA C 13 59.048 0.024 . 1 . . . . 61 SER CA . 19113 1
272 . 1 1 62 62 SER CB C 13 62.886 0.074 . 1 . . . . 61 SER CB . 19113 1
273 . 1 1 62 62 SER N N 15 117.162 0.102 . 1 . . . . 61 SER N . 19113 1
274 . 1 1 63 63 PHE H H 1 8.395 0.015 . 1 . . . . 62 PHE H . 19113 1
275 . 1 1 63 63 PHE C C 13 174.283 0.046 . 1 . . . . 62 PHE C . 19113 1
276 . 1 1 63 63 PHE CA C 13 58.401 0.010 . 1 . . . . 62 PHE CA . 19113 1
277 . 1 1 63 63 PHE CB C 13 40.729 0.056 . 1 . . . . 62 PHE CB . 19113 1
278 . 1 1 63 63 PHE N N 15 121.367 0.041 . 1 . . . . 62 PHE N . 19113 1
279 . 1 1 64 64 TYR H H 1 7.628 0.016 . 1 . . . . 63 TYR H . 19113 1
280 . 1 1 64 64 TYR C C 13 174.840 0.007 . 1 . . . . 63 TYR C . 19113 1
281 . 1 1 64 64 TYR CA C 13 56.402 0.020 . 1 . . . . 63 TYR CA . 19113 1
282 . 1 1 64 64 TYR CB C 13 39.908 0.047 . 1 . . . . 63 TYR CB . 19113 1
283 . 1 1 64 64 TYR N N 15 110.033 0.091 . 1 . . . . 63 TYR N . 19113 1
284 . 1 1 65 65 LEU H H 1 9.456 0.008 . 1 . . . . 64 LEU H . 19113 1
285 . 1 1 65 65 LEU C C 13 173.048 0.000 . 1 . . . . 64 LEU C . 19113 1
286 . 1 1 65 65 LEU CA C 13 54.928 0.030 . 1 . . . . 64 LEU CA . 19113 1
287 . 1 1 65 65 LEU CB C 13 49.488 0.045 . 1 . . . . 64 LEU CB . 19113 1
288 . 1 1 65 65 LEU N N 15 120.859 0.116 . 1 . . . . 64 LEU N . 19113 1
289 . 1 1 66 66 LEU H H 1 8.669 0.005 . 1 . . . . 65 LEU H . 19113 1
290 . 1 1 66 66 LEU C C 13 175.270 0.028 . 1 . . . . 65 LEU C . 19113 1
291 . 1 1 66 66 LEU CA C 13 53.606 0.000 . 1 . . . . 65 LEU CA . 19113 1
292 . 1 1 66 66 LEU CB C 13 45.640 0.000 . 1 . . . . 65 LEU CB . 19113 1
293 . 1 1 66 66 LEU N N 15 121.979 0.097 . 1 . . . . 65 LEU N . 19113 1
294 . 1 1 67 67 TYR H H 1 9.322 0.010 . 1 . . . . 66 TYR H . 19113 1
295 . 1 1 67 67 TYR C C 13 175.454 0.038 . 1 . . . . 66 TYR C . 19113 1
296 . 1 1 67 67 TYR CA C 13 56.647 0.035 . 1 . . . . 66 TYR CA . 19113 1
297 . 1 1 67 67 TYR CB C 13 40.577 0.022 . 1 . . . . 66 TYR CB . 19113 1
298 . 1 1 67 67 TYR N N 15 127.893 0.086 . 1 . . . . 66 TYR N . 19113 1
299 . 1 1 68 68 TYR H H 1 8.982 0.017 . 1 . . . . 67 TYR H . 19113 1
300 . 1 1 68 68 TYR C C 13 174.058 0.017 . 1 . . . . 67 TYR C . 19113 1
301 . 1 1 68 68 TYR CA C 13 55.927 0.005 . 1 . . . . 67 TYR CA . 19113 1
302 . 1 1 68 68 TYR CB C 13 41.070 0.091 . 1 . . . . 67 TYR CB . 19113 1
303 . 1 1 68 68 TYR N N 15 116.470 0.124 . 1 . . . . 67 TYR N . 19113 1
304 . 1 1 69 69 THR H H 1 8.451 0.008 . 1 . . . . 68 THR H . 19113 1
305 . 1 1 69 69 THR C C 13 171.774 0.012 . 1 . . . . 68 THR C . 19113 1
306 . 1 1 69 69 THR CA C 13 60.020 0.036 . 1 . . . . 68 THR CA . 19113 1
307 . 1 1 69 69 THR CB C 13 69.964 0.021 . 1 . . . . 68 THR CB . 19113 1
308 . 1 1 69 69 THR N N 15 112.752 0.104 . 1 . . . . 68 THR N . 19113 1
309 . 1 1 70 70 GLU H H 1 8.530 0.002 . 1 . . . . 69 GLU H . 19113 1
310 . 1 1 70 70 GLU C C 13 175.917 0.030 . 1 . . . . 69 GLU C . 19113 1
311 . 1 1 70 70 GLU CA C 13 56.749 0.013 . 1 . . . . 69 GLU CA . 19113 1
312 . 1 1 70 70 GLU CB C 13 29.251 0.077 . 1 . . . . 69 GLU CB . 19113 1
313 . 1 1 70 70 GLU N N 15 129.323 0.054 . 1 . . . . 69 GLU N . 19113 1
314 . 1 1 71 71 PHE H H 1 8.690 0.018 . 1 . . . . 70 PHE H . 19113 1
315 . 1 1 71 71 PHE C C 13 172.105 0.043 . 1 . . . . 70 PHE C . 19113 1
316 . 1 1 71 71 PHE CA C 13 55.039 0.058 . 1 . . . . 70 PHE CA . 19113 1
317 . 1 1 71 71 PHE CB C 13 40.331 0.000 . 1 . . . . 70 PHE CB . 19113 1
318 . 1 1 71 71 PHE N N 15 125.178 0.052 . 1 . . . . 70 PHE N . 19113 1
319 . 1 1 72 72 THR H H 1 8.278 0.009 . 1 . . . . 71 THR H . 19113 1
320 . 1 1 72 72 THR CA C 13 58.387 0.000 . 1 . . . . 71 THR CA . 19113 1
321 . 1 1 72 72 THR CB C 13 69.864 0.000 . 1 . . . . 71 THR CB . 19113 1
322 . 1 1 72 72 THR N N 15 117.629 0.076 . 1 . . . . 71 THR N . 19113 1
323 . 1 1 73 73 PRO C C 13 174.956 0.000 . 1 . . . . 72 PRO C . 19113 1
324 . 1 1 73 73 PRO CA C 13 62.892 0.000 . 1 . . . . 72 PRO CA . 19113 1
325 . 1 1 73 73 PRO CB C 13 31.176 0.000 . 1 . . . . 72 PRO CB . 19113 1
326 . 1 1 74 74 THR H H 1 8.105 0.015 . 1 . . . . 73 THR H . 19113 1
327 . 1 1 74 74 THR C C 13 175.377 0.000 . 1 . . . . 73 THR C . 19113 1
328 . 1 1 74 74 THR CA C 13 59.955 0.058 . 1 . . . . 73 THR CA . 19113 1
329 . 1 1 74 74 THR CB C 13 72.853 0.000 . 1 . . . . 73 THR CB . 19113 1
330 . 1 1 74 74 THR N N 15 110.450 0.129 . 1 . . . . 73 THR N . 19113 1
331 . 1 1 75 75 GLU H H 1 9.128 0.005 . 1 . . . . 74 GLU H . 19113 1
332 . 1 1 75 75 GLU C C 13 178.139 0.000 . 1 . . . . 74 GLU C . 19113 1
333 . 1 1 75 75 GLU CA C 13 58.656 0.053 . 1 . . . . 74 GLU CA . 19113 1
334 . 1 1 75 75 GLU CB C 13 29.198 0.079 . 1 . . . . 74 GLU CB . 19113 1
335 . 1 1 75 75 GLU N N 15 118.762 0.071 . 1 . . . . 74 GLU N . 19113 1
336 . 1 1 76 76 LYS H H 1 7.884 0.004 . 1 . . . . 75 LYS H . 19113 1
337 . 1 1 76 76 LYS C C 13 177.108 0.006 . 1 . . . . 75 LYS C . 19113 1
338 . 1 1 76 76 LYS CA C 13 56.318 0.072 . 1 . . . . 75 LYS CA . 19113 1
339 . 1 1 76 76 LYS CB C 13 33.275 0.023 . 1 . . . . 75 LYS CB . 19113 1
340 . 1 1 76 76 LYS N N 15 113.964 0.119 . 1 . . . . 75 LYS N . 19113 1
341 . 1 1 77 77 ASP H H 1 7.233 0.008 . 1 . . . . 76 ASP H . 19113 1
342 . 1 1 77 77 ASP C C 13 175.323 0.025 . 1 . . . . 76 ASP C . 19113 1
343 . 1 1 77 77 ASP CA C 13 55.371 0.083 . 1 . . . . 76 ASP CA . 19113 1
344 . 1 1 77 77 ASP CB C 13 42.703 0.044 . 1 . . . . 76 ASP CB . 19113 1
345 . 1 1 77 77 ASP N N 15 118.279 0.082 . 1 . . . . 76 ASP N . 19113 1
346 . 1 1 78 78 GLU H H 1 8.717 0.013 . 1 . . . . 77 GLU H . 19113 1
347 . 1 1 78 78 GLU C C 13 175.120 0.007 . 1 . . . . 77 GLU C . 19113 1
348 . 1 1 78 78 GLU CA C 13 54.780 0.011 . 1 . . . . 77 GLU CA . 19113 1
349 . 1 1 78 78 GLU CB C 13 31.857 0.008 . 1 . . . . 77 GLU CB . 19113 1
350 . 1 1 78 78 GLU N N 15 123.504 0.080 . 1 . . . . 77 GLU N . 19113 1
351 . 1 1 79 79 TYR H H 1 9.536 0.006 . 1 . . . . 78 TYR H . 19113 1
352 . 1 1 79 79 TYR C C 13 175.613 0.004 . 1 . . . . 78 TYR C . 19113 1
353 . 1 1 79 79 TYR CA C 13 56.545 0.027 . 1 . . . . 78 TYR CA . 19113 1
354 . 1 1 79 79 TYR CB C 13 42.160 0.088 . 1 . . . . 78 TYR CB . 19113 1
355 . 1 1 79 79 TYR N N 15 124.071 0.058 . 1 . . . . 78 TYR N . 19113 1
356 . 1 1 80 80 ALA H H 1 8.899 0.015 . 1 . . . . 79 ALA H . 19113 1
357 . 1 1 80 80 ALA C C 13 173.925 0.033 . 1 . . . . 79 ALA C . 19113 1
358 . 1 1 80 80 ALA CA C 13 50.906 0.016 . 1 . . . . 79 ALA CA . 19113 1
359 . 1 1 80 80 ALA CB C 13 23.182 0.049 . 1 . . . . 79 ALA CB . 19113 1
360 . 1 1 80 80 ALA N N 15 121.454 0.115 . 1 . . . . 79 ALA N . 19113 1
361 . 1 1 81 81 CYS H H 1 9.180 0.003 . 1 . . . . 80 CYS H . 19113 1
362 . 1 1 81 81 CYS C C 13 171.374 0.000 . 1 . . . . 80 CYS C . 19113 1
363 . 1 1 81 81 CYS CA C 13 52.663 0.000 . 1 . . . . 80 CYS CA . 19113 1
364 . 1 1 81 81 CYS CB C 13 43.039 0.015 . 1 . . . . 80 CYS CB . 19113 1
365 . 1 1 81 81 CYS N N 15 120.087 0.084 . 1 . . . . 80 CYS N . 19113 1
366 . 1 1 82 82 ARG H H 1 9.461 0.010 . 1 . . . . 81 ARG H . 19113 1
367 . 1 1 82 82 ARG C C 13 174.225 0.002 . 1 . . . . 81 ARG C . 19113 1
368 . 1 1 82 82 ARG N N 15 128.687 0.106 . 1 . . . . 81 ARG N . 19113 1
369 . 1 1 83 83 VAL H H 1 9.182 0.001 . 1 . . . . 82 VAL H . 19113 1
370 . 1 1 83 83 VAL C C 13 173.627 0.032 . 1 . . . . 82 VAL C . 19113 1
371 . 1 1 83 83 VAL CA C 13 60.332 0.015 . 1 . . . . 82 VAL CA . 19113 1
372 . 1 1 83 83 VAL CB C 13 34.979 0.042 . 1 . . . . 82 VAL CB . 19113 1
373 . 1 1 83 83 VAL N N 15 128.351 0.066 . 1 . . . . 82 VAL N . 19113 1
374 . 1 1 84 84 ASN H H 1 9.148 0.005 . 1 . . . . 83 ASN H . 19113 1
375 . 1 1 84 84 ASN C C 13 173.019 0.022 . 1 . . . . 83 ASN C . 19113 1
376 . 1 1 84 84 ASN CA C 13 50.961 0.029 . 1 . . . . 83 ASN CA . 19113 1
377 . 1 1 84 84 ASN CB C 13 41.065 0.014 . 1 . . . . 83 ASN CB . 19113 1
378 . 1 1 84 84 ASN N N 15 123.626 0.121 . 1 . . . . 83 ASN N . 19113 1
379 . 1 1 85 85 HIS H H 1 7.804 0.008 . 1 . . . . 84 HIS H . 19113 1
380 . 1 1 85 85 HIS C C 13 175.419 0.036 . 1 . . . . 84 HIS C . 19113 1
381 . 1 1 85 85 HIS CA C 13 56.748 0.055 . 1 . . . . 84 HIS CA . 19113 1
382 . 1 1 85 85 HIS CB C 13 35.415 0.040 . 1 . . . . 84 HIS CB . 19113 1
383 . 1 1 85 85 HIS N N 15 122.905 0.072 . 1 . . . . 84 HIS N . 19113 1
384 . 1 1 86 86 VAL H H 1 8.117 0.004 . 1 . . . . 85 VAL H . 19113 1
385 . 1 1 86 86 VAL C C 13 175.493 0.011 . 1 . . . . 85 VAL C . 19113 1
386 . 1 1 86 86 VAL CA C 13 64.366 0.063 . 1 . . . . 85 VAL CA . 19113 1
387 . 1 1 86 86 VAL N N 15 125.416 0.089 . 1 . . . . 85 VAL N . 19113 1
388 . 1 1 87 87 THR H H 1 7.530 0.011 . 1 . . . . 86 THR H . 19113 1
389 . 1 1 87 87 THR C C 13 174.876 0.000 . 1 . . . . 86 THR C . 19113 1
390 . 1 1 87 87 THR CA C 13 63.068 0.019 . 1 . . . . 86 THR CA . 19113 1
391 . 1 1 87 87 THR CB C 13 69.807 0.000 . 1 . . . . 86 THR CB . 19113 1
392 . 1 1 87 87 THR N N 15 110.725 0.089 . 1 . . . . 86 THR N . 19113 1
393 . 1 1 88 88 LEU H H 1 8.118 0.006 . 1 . . . . 87 LEU H . 19113 1
394 . 1 1 88 88 LEU CA C 13 53.251 0.000 . 1 . . . . 87 LEU CA . 19113 1
395 . 1 1 88 88 LEU CB C 13 41.765 0.000 . 1 . . . . 87 LEU CB . 19113 1
396 . 1 1 88 88 LEU N N 15 123.559 0.117 . 1 . . . . 87 LEU N . 19113 1
397 . 1 1 90 90 GLN H H 1 7.581 0.020 . 1 . . . . 89 GLN H . 19113 1
398 . 1 1 90 90 GLN CA C 13 52.964 0.000 . 1 . . . . 89 GLN CA . 19113 1
399 . 1 1 90 90 GLN CB C 13 29.166 0.000 . 1 . . . . 89 GLN CB . 19113 1
400 . 1 1 90 90 GLN N N 15 117.589 0.035 . 1 . . . . 89 GLN N . 19113 1
401 . 1 1 91 91 PRO C C 13 176.098 0.000 . 1 . . . . 90 PRO C . 19113 1
402 . 1 1 92 92 LYS H H 1 8.875 0.004 . 1 . . . . 91 LYS H . 19113 1
403 . 1 1 92 92 LYS C C 13 174.926 0.044 . 1 . . . . 91 LYS C . 19113 1
404 . 1 1 92 92 LYS CA C 13 54.843 0.003 . 1 . . . . 91 LYS CA . 19113 1
405 . 1 1 92 92 LYS CB C 13 34.307 0.021 . 1 . . . . 91 LYS CB . 19113 1
406 . 1 1 92 92 LYS N N 15 125.485 0.074 . 1 . . . . 91 LYS N . 19113 1
407 . 1 1 93 93 ILE H H 1 8.602 0.006 . 1 . . . . 92 ILE H . 19113 1
408 . 1 1 93 93 ILE C C 13 175.978 0.001 . 1 . . . . 92 ILE C . 19113 1
409 . 1 1 93 93 ILE CA C 13 60.177 0.000 . 1 . . . . 92 ILE CA . 19113 1
410 . 1 1 93 93 ILE CB C 13 38.142 0.034 . 1 . . . . 92 ILE CB . 19113 1
411 . 1 1 93 93 ILE N N 15 125.383 0.076 . 1 . . . . 92 ILE N . 19113 1
412 . 1 1 94 94 VAL H H 1 9.114 0.007 . 1 . . . . 93 VAL H . 19113 1
413 . 1 1 94 94 VAL C C 13 175.501 0.031 . 1 . . . . 93 VAL C . 19113 1
414 . 1 1 94 94 VAL CA C 13 60.953 0.084 . 1 . . . . 93 VAL CA . 19113 1
415 . 1 1 94 94 VAL CB C 13 33.086 0.008 . 1 . . . . 93 VAL CB . 19113 1
416 . 1 1 94 94 VAL N N 15 129.795 0.075 . 1 . . . . 93 VAL N . 19113 1
417 . 1 1 95 95 LYS H H 1 8.938 0.004 . 1 . . . . 94 LYS H . 19113 1
418 . 1 1 95 95 LYS C C 13 176.541 0.001 . 1 . . . . 94 LYS C . 19113 1
419 . 1 1 95 95 LYS CA C 13 56.398 0.065 . 1 . . . . 94 LYS CA . 19113 1
420 . 1 1 95 95 LYS CB C 13 32.620 0.057 . 1 . . . . 94 LYS CB . 19113 1
421 . 1 1 95 95 LYS N N 15 128.112 0.075 . 1 . . . . 94 LYS N . 19113 1
422 . 1 1 96 96 TRP H H 1 9.102 0.005 . 1 . . . . 95 TRP H . 19113 1
423 . 1 1 96 96 TRP HE1 H 1 10.714 0.000 . 1 . . . . 95 TRP HE1 . 19113 1
424 . 1 1 96 96 TRP C C 13 174.025 0.030 . 1 . . . . 95 TRP C . 19113 1
425 . 1 1 96 96 TRP CA C 13 58.158 0.078 . 1 . . . . 95 TRP CA . 19113 1
426 . 1 1 96 96 TRP CB C 13 27.622 0.021 . 1 . . . . 95 TRP CB . 19113 1
427 . 1 1 96 96 TRP N N 15 123.058 0.086 . 1 . . . . 95 TRP N . 19113 1
428 . 1 1 96 96 TRP NE1 N 15 129.803 0.000 . 1 . . . . 95 TRP NE1 . 19113 1
429 . 1 1 97 97 ASP H H 1 8.529 0.005 . 1 . . . . 96 ASP H . 19113 1
430 . 1 1 97 97 ASP C C 13 176.148 0.004 . 1 . . . . 96 ASP C . 19113 1
431 . 1 1 97 97 ASP CA C 13 52.278 0.021 . 1 . . . . 96 ASP CA . 19113 1
432 . 1 1 97 97 ASP CB C 13 42.730 0.016 . 1 . . . . 96 ASP CB . 19113 1
433 . 1 1 97 97 ASP N N 15 132.440 0.055 . 1 . . . . 96 ASP N . 19113 1
434 . 1 1 98 98 ARG H H 1 7.773 0.008 . 1 . . . . 97 ARG H . 19113 1
435 . 1 1 98 98 ARG C C 13 176.041 0.029 . 1 . . . . 97 ARG C . 19113 1
436 . 1 1 98 98 ARG CA C 13 57.462 0.000 . 1 . . . . 97 ARG CA . 19113 1
437 . 1 1 98 98 ARG CB C 13 29.040 0.085 . 1 . . . . 97 ARG CB . 19113 1
438 . 1 1 98 98 ARG N N 15 123.030 0.050 . 1 . . . . 97 ARG N . 19113 1
439 . 1 1 99 99 ASP H H 1 8.618 0.005 . 1 . . . . 98 ASP H . 19113 1
440 . 1 1 99 99 ASP C C 13 173.915 0.032 . 1 . . . . 98 ASP C . 19113 1
441 . 1 1 99 99 ASP CA C 13 54.616 0.074 . 1 . . . . 98 ASP CA . 19113 1
442 . 1 1 99 99 ASP CB C 13 41.134 0.088 . 1 . . . . 98 ASP CB . 19113 1
443 . 1 1 99 99 ASP N N 15 120.537 0.111 . 1 . . . . 98 ASP N . 19113 1
444 . 1 1 100 100 MET H H 1 7.889 0.008 . 1 . . . . 99 MET H . 19113 1
445 . 1 1 100 100 MET C C 13 180.034 0.000 . 1 . . . . 99 MET C . 19113 1
446 . 1 1 100 100 MET CA C 13 56.866 0.000 . 1 . . . . 99 MET CA . 19113 1
447 . 1 1 100 100 MET CB C 13 36.046 0.000 . 1 . . . . 99 MET CB . 19113 1
448 . 1 1 100 100 MET N N 15 122.341 0.105 . 1 . . . . 99 MET N . 19113 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 19113
_Assigned_chem_shift_list.ID 2
_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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 19113 2
2 '3D HNCA' 1 $sample_1 isotropic 19113 2
3 '3D HN(CO)CA' 1 $sample_1 isotropic 19113 2
4 '3D HNCACB' 1 $sample_1 isotropic 19113 2
5 '3D HN(CO)CACB' 1 $sample_1 isotropic 19113 2
6 '3D HNCO' 1 $sample_1 isotropic 19113 2
7 '3D HCACO' 1 $sample_1 isotropic 19113 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.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 GLN H H 1 8.224 0.000 . 1 . . . . 2 GLN H . 19113 2
2 . 1 1 3 3 GLN N N 15 122.234 0.000 . 1 . . . . 2 GLN N . 19113 2
3 . 1 1 4 4 ARG H H 1 9.692 0.000 . 1 . . . . 3 ARG H . 19113 2
4 . 1 1 4 4 ARG N N 15 123.395 0.000 . 1 . . . . 3 ARG N . 19113 2
5 . 1 1 5 5 THR H H 1 8.512 0.000 . 1 . . . . 4 THR H . 19113 2
6 . 1 1 5 5 THR N N 15 120.911 0.000 . 1 . . . . 4 THR N . 19113 2
7 . 1 1 7 7 LYS H H 1 9.358 0.000 . 1 . . . . 6 LYS H . 19113 2
8 . 1 1 7 7 LYS N N 15 124.080 0.000 . 1 . . . . 6 LYS N . 19113 2
9 . 1 1 8 8 ILE H H 1 8.413 0.000 . 1 . . . . 7 ILE H . 19113 2
10 . 1 1 8 8 ILE N N 15 122.397 0.000 . 1 . . . . 7 ILE N . 19113 2
11 . 1 1 9 9 GLN H H 1 9.082 0.000 . 1 . . . . 8 GLN H . 19113 2
12 . 1 1 9 9 GLN N N 15 124.210 0.000 . 1 . . . . 8 GLN N . 19113 2
13 . 1 1 10 10 VAL H H 1 9.428 0.000 . 1 . . . . 9 VAL H . 19113 2
14 . 1 1 10 10 VAL N N 15 124.077 0.000 . 1 . . . . 9 VAL N . 19113 2
15 . 1 1 11 11 TYR H H 1 8.750 0.000 . 1 . . . . 10 TYR H . 19113 2
16 . 1 1 11 11 TYR N N 15 123.304 0.000 . 1 . . . . 10 TYR N . 19113 2
17 . 1 1 12 12 SER H H 1 9.110 0.000 . 1 . . . . 11 SER H . 19113 2
18 . 1 1 12 12 SER N N 15 113.730 0.000 . 1 . . . . 11 SER N . 19113 2
19 . 1 1 13 13 ARG H H 1 8.937 0.000 . 1 . . . . 12 ARG H . 19113 2
20 . 1 1 13 13 ARG N N 15 122.754 0.000 . 1 . . . . 12 ARG N . 19113 2
21 . 1 1 14 14 HIS H H 1 8.356 0.000 . 1 . . . . 13 HIS H . 19113 2
22 . 1 1 14 14 HIS N N 15 114.131 0.000 . 1 . . . . 13 HIS N . 19113 2
23 . 1 1 16 16 ALA H H 1 9.017 0.000 . 1 . . . . 15 ALA H . 19113 2
24 . 1 1 16 16 ALA N N 15 127.440 0.000 . 1 . . . . 15 ALA N . 19113 2
25 . 1 1 18 18 ASN H H 1 8.934 0.000 . 1 . . . . 17 ASN H . 19113 2
26 . 1 1 18 18 ASN N N 15 123.466 0.000 . 1 . . . . 17 ASN N . 19113 2
27 . 1 1 19 19 GLY H H 1 8.976 0.000 . 1 . . . . 18 GLY H . 19113 2
28 . 1 1 19 19 GLY N N 15 109.097 0.000 . 1 . . . . 18 GLY N . 19113 2
29 . 1 1 20 20 LYS H H 1 7.987 0.000 . 1 . . . . 19 LYS H . 19113 2
30 . 1 1 20 20 LYS N N 15 121.623 0.000 . 1 . . . . 19 LYS N . 19113 2
31 . 1 1 21 21 SER H H 1 8.460 0.000 . 1 . . . . 20 SER H . 19113 2
32 . 1 1 21 21 SER N N 15 120.327 0.000 . 1 . . . . 20 SER N . 19113 2
33 . 1 1 22 22 ASN H H 1 9.037 0.000 . 1 . . . . 21 ASN H . 19113 2
34 . 1 1 22 22 ASN N N 15 127.084 0.000 . 1 . . . . 21 ASN N . 19113 2
35 . 1 1 23 23 PHE H H 1 10.557 0.000 . 1 . . . . 22 PHE H . 19113 2
36 . 1 1 23 23 PHE N N 15 120.788 0.000 . 1 . . . . 22 PHE N . 19113 2
37 . 1 1 25 25 ASN H H 1 8.520 0.000 . 1 . . . . 24 ASN H . 19113 2
38 . 1 1 25 25 ASN N N 15 122.478 0.000 . 1 . . . . 24 ASN N . 19113 2
39 . 1 1 26 26 CYS H H 1 9.738 0.000 . 1 . . . . 25 CYS H . 19113 2
40 . 1 1 26 26 CYS N N 15 120.673 0.000 . 1 . . . . 25 CYS N . 19113 2
41 . 1 1 27 27 TYR H H 1 9.801 0.000 . 1 . . . . 26 TYR H . 19113 2
42 . 1 1 27 27 TYR N N 15 129.549 0.000 . 1 . . . . 26 TYR N . 19113 2
43 . 1 1 28 28 VAL H H 1 9.016 0.000 . 1 . . . . 27 VAL H . 19113 2
44 . 1 1 28 28 VAL N N 15 126.682 0.000 . 1 . . . . 27 VAL N . 19113 2
45 . 1 1 29 29 SER H H 1 8.999 0.000 . 1 . . . . 28 SER H . 19113 2
46 . 1 1 29 29 SER N N 15 117.610 0.000 . 1 . . . . 28 SER N . 19113 2
47 . 1 1 30 30 GLY H H 1 8.479 0.000 . 1 . . . . 29 GLY H . 19113 2
48 . 1 1 30 30 GLY N N 15 108.155 0.000 . 1 . . . . 29 GLY N . 19113 2
49 . 1 1 31 31 PHE H H 1 7.432 0.000 . 1 . . . . 30 PHE H . 19113 2
50 . 1 1 34 34 SER H H 1 9.013 0.000 . 1 . . . . 33 SER H . 19113 2
51 . 1 1 34 34 SER N N 15 112.556 0.000 . 1 . . . . 33 SER N . 19113 2
52 . 1 1 35 35 ASP H H 1 7.398 0.000 . 1 . . . . 34 ASP H . 19113 2
53 . 1 1 35 35 ASP N N 15 121.399 0.000 . 1 . . . . 34 ASP N . 19113 2
54 . 1 1 37 37 GLU H H 1 8.215 0.000 . 1 . . . . 36 GLU H . 19113 2
55 . 1 1 37 37 GLU N N 15 126.161 0.000 . 1 . . . . 36 GLU N . 19113 2
56 . 1 1 38 38 VAL H H 1 7.897 0.000 . 1 . . . . 37 VAL H . 19113 2
57 . 1 1 38 38 VAL N N 15 125.153 0.000 . 1 . . . . 37 VAL N . 19113 2
58 . 1 1 40 40 LEU H H 1 9.120 0.000 . 1 . . . . 39 LEU H . 19113 2
59 . 1 1 40 40 LEU N N 15 121.606 0.000 . 1 . . . . 39 LEU N . 19113 2
60 . 1 1 41 41 LEU H H 1 9.047 0.000 . 1 . . . . 40 LEU H . 19113 2
61 . 1 1 41 41 LEU N N 15 120.527 0.000 . 1 . . . . 40 LEU N . 19113 2
62 . 1 1 43 43 ASN H H 1 9.866 0.000 . 1 . . . . 42 ASN H . 19113 2
63 . 1 1 43 43 ASN N N 15 128.389 0.000 . 1 . . . . 42 ASN N . 19113 2
64 . 1 1 44 44 GLY H H 1 8.924 0.000 . 1 . . . . 43 GLY H . 19113 2
65 . 1 1 44 44 GLY N N 15 102.539 0.000 . 1 . . . . 43 GLY N . 19113 2
66 . 1 1 45 45 GLU H H 1 7.922 0.000 . 1 . . . . 44 GLU H . 19113 2
67 . 1 1 45 45 GLU N N 15 120.977 0.000 . 1 . . . . 44 GLU N . 19113 2
68 . 1 1 46 46 ARG H H 1 8.782 0.000 . 1 . . . . 45 ARG H . 19113 2
69 . 1 1 46 46 ARG N N 15 124.638 0.000 . 1 . . . . 45 ARG N . 19113 2
70 . 1 1 47 47 ILE H H 1 8.947 0.000 . 1 . . . . 46 ILE H . 19113 2
71 . 1 1 47 47 ILE N N 15 128.935 0.000 . 1 . . . . 46 ILE N . 19113 2
72 . 1 1 48 48 GLU H H 1 8.596 0.000 . 1 . . . . 47 GLU H . 19113 2
73 . 1 1 48 48 GLU N N 15 126.479 0.000 . 1 . . . . 47 GLU N . 19113 2
74 . 1 1 49 49 LYS H H 1 8.087 0.000 . 1 . . . . 48 LYS H . 19113 2
75 . 1 1 49 49 LYS N N 15 119.671 0.000 . 1 . . . . 48 LYS N . 19113 2
76 . 1 1 50 50 VAL H H 1 7.940 0.000 . 1 . . . . 49 VAL H . 19113 2
77 . 1 1 50 50 VAL N N 15 123.881 0.000 . 1 . . . . 49 VAL N . 19113 2
78 . 1 1 51 51 GLU H H 1 8.479 0.000 . 1 . . . . 50 GLU H . 19113 2
79 . 1 1 51 51 GLU N N 15 126.668 0.000 . 1 . . . . 50 GLU N . 19113 2
80 . 1 1 52 52 HIS H H 1 8.119 0.000 . 1 . . . . 51 HIS H . 19113 2
81 . 1 1 52 52 HIS N N 15 111.827 0.000 . 1 . . . . 51 HIS N . 19113 2
82 . 1 1 53 53 SER H H 1 9.143 0.000 . 1 . . . . 52 SER H . 19113 2
83 . 1 1 53 53 SER N N 15 116.731 0.000 . 1 . . . . 52 SER N . 19113 2
84 . 1 1 54 54 ASP H H 1 8.584 0.000 . 1 . . . . 53 ASP H . 19113 2
85 . 1 1 54 54 ASP N N 15 118.497 0.000 . 1 . . . . 53 ASP N . 19113 2
86 . 1 1 55 55 LEU H H 1 8.685 0.000 . 1 . . . . 54 LEU H . 19113 2
87 . 1 1 55 55 LEU N N 15 126.000 0.000 . 1 . . . . 54 LEU N . 19113 2
88 . 1 1 56 56 SER H H 1 6.943 0.000 . 1 . . . . 55 SER H . 19113 2
89 . 1 1 56 56 SER N N 15 117.970 0.000 . 1 . . . . 55 SER N . 19113 2
90 . 1 1 57 57 PHE H H 1 6.907 0.000 . 1 . . . . 56 PHE H . 19113 2
91 . 1 1 57 57 PHE N N 15 112.286 0.000 . 1 . . . . 56 PHE N . 19113 2
92 . 1 1 58 58 SER H H 1 8.959 0.000 . 1 . . . . 57 SER H . 19113 2
93 . 1 1 58 58 SER N N 15 115.064 0.000 . 1 . . . . 57 SER N . 19113 2
94 . 1 1 60 60 ASP H H 1 7.563 0.000 . 1 . . . . 59 ASP H . 19113 2
95 . 1 1 60 60 ASP N N 15 117.007 0.000 . 1 . . . . 59 ASP N . 19113 2
96 . 1 1 61 61 TRP H H 1 7.857 0.000 . 1 . . . . 60 TRP H . 19113 2
97 . 1 1 61 61 TRP HE1 H 1 10.684 0.000 . 1 . . . . 60 TRP HE1 . 19113 2
98 . 1 1 61 61 TRP N N 15 110.884 0.000 . 1 . . . . 60 TRP N . 19113 2
99 . 1 1 61 61 TRP NE1 N 15 130.300 0.000 . 1 . . . . 60 TRP NE1 . 19113 2
100 . 1 1 62 62 SER H H 1 8.312 0.000 . 1 . . . . 61 SER H . 19113 2
101 . 1 1 62 62 SER N N 15 116.999 0.000 . 1 . . . . 61 SER N . 19113 2
102 . 1 1 63 63 PHE H H 1 8.423 0.000 . 1 . . . . 62 PHE H . 19113 2
103 . 1 1 63 63 PHE N N 15 121.277 0.000 . 1 . . . . 62 PHE N . 19113 2
104 . 1 1 64 64 TYR H H 1 7.658 0.000 . 1 . . . . 63 TYR H . 19113 2
105 . 1 1 64 64 TYR N N 15 109.964 0.000 . 1 . . . . 63 TYR N . 19113 2
106 . 1 1 65 65 LEU H H 1 9.478 0.000 . 1 . . . . 64 LEU H . 19113 2
107 . 1 1 65 65 LEU N N 15 120.816 0.000 . 1 . . . . 64 LEU N . 19113 2
108 . 1 1 66 66 LEU H H 1 8.686 0.000 . 1 . . . . 65 LEU H . 19113 2
109 . 1 1 66 66 LEU N N 15 121.984 0.000 . 1 . . . . 65 LEU N . 19113 2
110 . 1 1 67 67 TYR H H 1 9.318 0.000 . 1 . . . . 66 TYR H . 19113 2
111 . 1 1 67 67 TYR N N 15 127.835 0.000 . 1 . . . . 66 TYR N . 19113 2
112 . 1 1 68 68 TYR H H 1 9.035 0.000 . 1 . . . . 67 TYR H . 19113 2
113 . 1 1 68 68 TYR N N 15 116.346 0.000 . 1 . . . . 67 TYR N . 19113 2
114 . 1 1 69 69 THR H H 1 8.470 0.000 . 1 . . . . 68 THR H . 19113 2
115 . 1 1 69 69 THR N N 15 112.467 0.000 . 1 . . . . 68 THR N . 19113 2
116 . 1 1 70 70 GLU H H 1 8.531 0.000 . 1 . . . . 69 GLU H . 19113 2
117 . 1 1 70 70 GLU N N 15 129.217 0.000 . 1 . . . . 69 GLU N . 19113 2
118 . 1 1 71 71 PHE H H 1 8.730 0.000 . 1 . . . . 70 PHE H . 19113 2
119 . 1 1 71 71 PHE N N 15 125.128 0.000 . 1 . . . . 70 PHE N . 19113 2
120 . 1 1 72 72 THR H H 1 8.257 0.000 . 1 . . . . 71 THR H . 19113 2
121 . 1 1 72 72 THR N N 15 117.402 0.000 . 1 . . . . 71 THR N . 19113 2
122 . 1 1 74 74 THR H H 1 8.122 0.000 . 1 . . . . 73 THR H . 19113 2
123 . 1 1 74 74 THR N N 15 110.282 0.000 . 1 . . . . 73 THR N . 19113 2
124 . 1 1 76 76 LYS H H 1 7.887 0.000 . 1 . . . . 75 LYS H . 19113 2
125 . 1 1 76 76 LYS N N 15 113.839 0.000 . 1 . . . . 75 LYS N . 19113 2
126 . 1 1 77 77 ASP H H 1 7.243 0.000 . 1 . . . . 76 ASP H . 19113 2
127 . 1 1 77 77 ASP N N 15 118.128 0.000 . 1 . . . . 76 ASP N . 19113 2
128 . 1 1 79 79 TYR H H 1 9.526 0.000 . 1 . . . . 78 TYR H . 19113 2
129 . 1 1 79 79 TYR N N 15 124.014 0.000 . 1 . . . . 78 TYR N . 19113 2
130 . 1 1 80 80 ALA H H 1 8.931 0.000 . 1 . . . . 79 ALA H . 19113 2
131 . 1 1 80 80 ALA N N 15 121.319 0.000 . 1 . . . . 79 ALA N . 19113 2
132 . 1 1 81 81 CYS H H 1 9.192 0.000 . 1 . . . . 80 CYS H . 19113 2
133 . 1 1 81 81 CYS N N 15 120.004 0.000 . 1 . . . . 80 CYS N . 19113 2
134 . 1 1 82 82 ARG H H 1 9.486 0.000 . 1 . . . . 81 ARG H . 19113 2
135 . 1 1 82 82 ARG N N 15 128.742 0.000 . 1 . . . . 81 ARG N . 19113 2
136 . 1 1 83 83 VAL H H 1 9.184 0.000 . 1 . . . . 82 VAL H . 19113 2
137 . 1 1 83 83 VAL N N 15 128.166 0.000 . 1 . . . . 82 VAL N . 19113 2
138 . 1 1 84 84 ASN H H 1 9.167 0.000 . 1 . . . . 83 ASN H . 19113 2
139 . 1 1 84 84 ASN N N 15 123.594 0.000 . 1 . . . . 83 ASN N . 19113 2
140 . 1 1 85 85 HIS H H 1 7.822 0.000 . 1 . . . . 84 HIS H . 19113 2
141 . 1 1 85 85 HIS N N 15 122.876 0.000 . 1 . . . . 84 HIS N . 19113 2
142 . 1 1 86 86 VAL H H 1 8.113 0.000 . 1 . . . . 85 VAL H . 19113 2
143 . 1 1 86 86 VAL N N 15 125.337 0.000 . 1 . . . . 85 VAL N . 19113 2
144 . 1 1 87 87 THR H H 1 7.543 0.000 . 1 . . . . 86 THR H . 19113 2
145 . 1 1 87 87 THR N N 15 110.524 0.000 . 1 . . . . 86 THR N . 19113 2
146 . 1 1 88 88 LEU H H 1 8.130 0.000 . 1 . . . . 87 LEU H . 19113 2
147 . 1 1 88 88 LEU N N 15 123.340 0.000 . 1 . . . . 87 LEU N . 19113 2
148 . 1 1 90 90 GLN H H 1 7.624 0.000 . 1 . . . . 89 GLN H . 19113 2
149 . 1 1 90 90 GLN N N 15 117.449 0.000 . 1 . . . . 89 GLN N . 19113 2
150 . 1 1 92 92 LYS H H 1 8.887 0.000 . 1 . . . . 91 LYS H . 19113 2
151 . 1 1 92 92 LYS N N 15 125.303 0.000 . 1 . . . . 91 LYS N . 19113 2
152 . 1 1 93 93 ILE H H 1 8.610 0.000 . 1 . . . . 92 ILE H . 19113 2
153 . 1 1 93 93 ILE N N 15 125.326 0.000 . 1 . . . . 92 ILE N . 19113 2
154 . 1 1 94 94 VAL H H 1 9.131 0.000 . 1 . . . . 93 VAL H . 19113 2
155 . 1 1 94 94 VAL N N 15 129.766 0.000 . 1 . . . . 93 VAL N . 19113 2
156 . 1 1 95 95 LYS H H 1 8.943 0.000 . 1 . . . . 94 LYS H . 19113 2
157 . 1 1 95 95 LYS N N 15 128.112 0.000 . 1 . . . . 94 LYS N . 19113 2
158 . 1 1 96 96 TRP H H 1 9.117 0.000 . 1 . . . . 95 TRP H . 19113 2
159 . 1 1 96 96 TRP HE1 H 1 10.723 0.000 . 1 . . . . 95 TRP HE1 . 19113 2
160 . 1 1 96 96 TRP N N 15 122.976 0.000 . 1 . . . . 95 TRP N . 19113 2
161 . 1 1 96 96 TRP NE1 N 15 129.678 0.000 . 1 . . . . 95 TRP NE1 . 19113 2
162 . 1 1 97 97 ASP H H 1 8.541 0.000 . 1 . . . . 96 ASP H . 19113 2
163 . 1 1 97 97 ASP N N 15 132.378 0.000 . 1 . . . . 96 ASP N . 19113 2
164 . 1 1 98 98 ARG H H 1 7.772 0.000 . 1 . . . . 97 ARG H . 19113 2
165 . 1 1 98 98 ARG N N 15 122.978 0.000 . 1 . . . . 97 ARG N . 19113 2
166 . 1 1 99 99 ASP H H 1 8.623 0.000 . 1 . . . . 98 ASP H . 19113 2
167 . 1 1 99 99 ASP N N 15 120.350 0.000 . 1 . . . . 98 ASP N . 19113 2
168 . 1 1 100 100 MET H H 1 7.906 0.000 . 1 . . . . 99 MET H . 19113 2
169 . 1 1 100 100 MET N N 15 122.104 0.000 . 1 . . . . 99 MET N . 19113 2
stop_
save_