Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
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 50156
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Backbone assignment of DUSP22'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1_RT
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1_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' . . . 50156 1
2 '3D HN(COCA)CB' . . . 50156 1
3 '3D HNCACB' . . . 50156 1
4 '3D HNCA' . . . 50156 1
5 '3D HN(CO)CA' . . . 50156 1
6 '3D HNCO' . . . 50156 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1_TOPSPIN . . 50156 1
2 $software_2_NMRPipe . . 50156 1
3 $software_3_SPARKY . . 50156 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 MET H H 1 8.604 0.001 . 1 . . . . . 1 Met H . 50156 1
2 . 1 . 1 3 3 MET C C 13 176.757 0.000 . 1 . . . . . 1 Met CO . 50156 1
3 . 1 . 1 3 3 MET CA C 13 55.523 0.014 . 1 . . . . . 1 Met CA . 50156 1
4 . 1 . 1 3 3 MET CB C 13 32.347 0.000 . 1 . . . . . 1 Met CB . 50156 1
5 . 1 . 1 3 3 MET N N 15 120.331 0.069 . 1 . . . . . 1 Met N . 50156 1
6 . 1 . 1 4 4 GLY H H 1 8.364 0.004 . 1 . . . . . 2 Gly H . 50156 1
7 . 1 . 1 4 4 GLY CA C 13 45.252 0.019 . 1 . . . . . 2 Gly CA . 50156 1
8 . 1 . 1 4 4 GLY N N 15 110.147 0.280 . 1 . . . . . 2 Gly N . 50156 1
9 . 1 . 1 5 5 ASN H H 1 8.434 0.005 . 1 . . . . . 3 Asn H . 50156 1
10 . 1 . 1 5 5 ASN C C 13 175.198 0.000 . 1 . . . . . 3 Asn CO . 50156 1
11 . 1 . 1 5 5 ASN CA C 13 53.303 0.026 . 1 . . . . . 3 Asn CA . 50156 1
12 . 1 . 1 5 5 ASN N N 15 119.182 0.008 . 1 . . . . . 3 Asn N . 50156 1
13 . 1 . 1 6 6 GLY H H 1 8.793 0.003 . 1 . . . . . 4 Gly H . 50156 1
14 . 1 . 1 6 6 GLY C C 13 173.239 0.000 . 1 . . . . . 4 Gly CO . 50156 1
15 . 1 . 1 6 6 GLY CA C 13 44.633 0.006 . 1 . . . . . 4 Gly CA . 50156 1
16 . 1 . 1 6 6 GLY N N 15 112.471 0.234 . 1 . . . . . 4 Gly N . 50156 1
17 . 1 . 1 7 7 MET H H 1 8.512 0.003 . 1 . . . . . 5 Met H . 50156 1
18 . 1 . 1 7 7 MET C C 13 175.545 0.000 . 1 . . . . . 5 Met CO . 50156 1
19 . 1 . 1 7 7 MET CA C 13 55.999 0.010 . 1 . . . . . 5 Met CA . 50156 1
20 . 1 . 1 7 7 MET CB C 13 32.906 0.007 . 1 . . . . . 5 Met CB . 50156 1
21 . 1 . 1 7 7 MET N N 15 119.220 0.247 . 1 . . . . . 5 Met N . 50156 1
22 . 1 . 1 8 8 ASN H H 1 9.110 0.004 . 1 . . . . . 6 Asn H . 50156 1
23 . 1 . 1 8 8 ASN C C 13 173.848 0.000 . 1 . . . . . 6 Asn CO . 50156 1
24 . 1 . 1 8 8 ASN CA C 13 53.262 0.009 . 1 . . . . . 6 Asn CA . 50156 1
25 . 1 . 1 8 8 ASN CB C 13 44.098 0.021 . 1 . . . . . 6 Asn CB . 50156 1
26 . 1 . 1 8 8 ASN N N 15 118.865 0.280 . 1 . . . . . 6 Asn N . 50156 1
27 . 1 . 1 9 9 LYS H H 1 8.865 0.003 . 1 . . . . . 7 Lys H . 50156 1
28 . 1 . 1 9 9 LYS C C 13 175.497 0.000 . 1 . . . . . 7 Lys CO . 50156 1
29 . 1 . 1 9 9 LYS CA C 13 57.071 0.020 . 1 . . . . . 7 Lys CA . 50156 1
30 . 1 . 1 9 9 LYS CB C 13 31.974 0.026 . 1 . . . . . 7 Lys CB . 50156 1
31 . 1 . 1 9 9 LYS N N 15 125.965 0.293 . 1 . . . . . 7 Lys N . 50156 1
32 . 1 . 1 10 10 ILE H H 1 9.237 0.003 . 1 . . . . . 8 Ile H . 50156 1
33 . 1 . 1 10 10 ILE CA C 13 59.630 0.024 . 1 . . . . . 8 Ile CA . 50156 1
34 . 1 . 1 10 10 ILE CB C 13 37.146 0.032 . 1 . . . . . 8 Ile CB . 50156 1
35 . 1 . 1 10 10 ILE N N 15 127.906 0.308 . 1 . . . . . 8 Ile N . 50156 1
36 . 1 . 1 11 11 LEU H H 1 7.713 0.002 . 1 . . . . . 9 Leu H . 50156 1
37 . 1 . 1 11 11 LEU CA C 13 51.864 0.000 . 1 . . . . . 9 Leu CA . 50156 1
38 . 1 . 1 11 11 LEU CB C 13 43.781 0.000 . 1 . . . . . 9 Leu CB . 50156 1
39 . 1 . 1 11 11 LEU N N 15 117.774 0.298 . 1 . . . . . 9 Leu N . 50156 1
40 . 1 . 1 12 12 PRO C C 13 178.164 0.000 . 1 . . . . . 10 Pro CO . 50156 1
41 . 1 . 1 12 12 PRO CA C 13 65.035 0.009 . 1 . . . . . 10 Pro CA . 50156 1
42 . 1 . 1 12 12 PRO CB C 13 30.486 0.014 . 1 . . . . . 10 Pro CB . 50156 1
43 . 1 . 1 13 13 GLY H H 1 9.083 0.004 . 1 . . . . . 11 Gly H . 50156 1
44 . 1 . 1 13 13 GLY C C 13 172.417 0.000 . 1 . . . . . 11 Gly CO . 50156 1
45 . 1 . 1 13 13 GLY CA C 13 46.118 0.007 . 1 . . . . . 11 Gly CA . 50156 1
46 . 1 . 1 13 13 GLY N N 15 114.719 0.302 . 1 . . . . . 11 Gly N . 50156 1
47 . 1 . 1 14 14 LEU H H 1 8.372 0.002 . 1 . . . . . 12 Leu H . 50156 1
48 . 1 . 1 14 14 LEU C C 13 172.739 0.000 . 1 . . . . . 12 Leu CO . 50156 1
49 . 1 . 1 14 14 LEU CA C 13 54.209 0.014 . 1 . . . . . 12 Leu CA . 50156 1
50 . 1 . 1 14 14 LEU CB C 13 45.636 0.046 . 1 . . . . . 12 Leu CB . 50156 1
51 . 1 . 1 14 14 LEU N N 15 122.248 0.288 . 1 . . . . . 12 Leu N . 50156 1
52 . 1 . 1 15 15 TYR H H 1 9.236 0.004 . 1 . . . . . 13 Tyr H . 50156 1
53 . 1 . 1 15 15 TYR C C 13 175.183 0.000 . 1 . . . . . 13 Tyr CO . 50156 1
54 . 1 . 1 15 15 TYR CA C 13 56.248 0.011 . 1 . . . . . 13 Tyr CA . 50156 1
55 . 1 . 1 15 15 TYR CB C 13 43.235 0.015 . 1 . . . . . 13 Tyr CB . 50156 1
56 . 1 . 1 15 15 TYR N N 15 127.136 0.246 . 1 . . . . . 13 Tyr N . 50156 1
57 . 1 . 1 16 16 ILE H H 1 8.569 0.002 . 1 . . . . . 14 Ile H . 50156 1
58 . 1 . 1 16 16 ILE C C 13 175.035 0.000 . 1 . . . . . 14 Ile CO . 50156 1
59 . 1 . 1 16 16 ILE CA C 13 59.772 0.012 . 1 . . . . . 14 Ile CA . 50156 1
60 . 1 . 1 16 16 ILE CB C 13 42.677 0.070 . 1 . . . . . 14 Ile CB . 50156 1
61 . 1 . 1 16 16 ILE N N 15 118.422 0.275 . 1 . . . . . 14 Ile N . 50156 1
62 . 1 . 1 17 17 GLY H H 1 7.508 0.004 . 1 . . . . . 15 Gly H . 50156 1
63 . 1 . 1 17 17 GLY C C 13 170.265 0.000 . 1 . . . . . 15 Gly CO . 50156 1
64 . 1 . 1 17 17 GLY CA C 13 44.416 0.003 . 1 . . . . . 15 Gly CA . 50156 1
65 . 1 . 1 17 17 GLY N N 15 112.849 0.317 . 1 . . . . . 15 Gly N . 50156 1
66 . 1 . 1 18 18 ASN H H 1 9.526 0.003 . 1 . . . . . 16 Asn H . 50156 1
67 . 1 . 1 18 18 ASN C C 13 175.713 0.000 . 1 . . . . . 16 Asn CO . 50156 1
68 . 1 . 1 18 18 ASN CA C 13 50.202 0.002 . 1 . . . . . 16 Asn CA . 50156 1
69 . 1 . 1 18 18 ASN CB C 13 39.531 0.057 . 1 . . . . . 16 Asn CB . 50156 1
70 . 1 . 1 18 18 ASN N N 15 117.674 0.288 . 1 . . . . . 16 Asn N . 50156 1
71 . 1 . 1 19 19 PHE H H 1 7.748 0.003 . 1 . . . . . 17 Phe H . 50156 1
72 . 1 . 1 19 19 PHE CA C 13 60.522 0.025 . 1 . . . . . 17 Phe CA . 50156 1
73 . 1 . 1 19 19 PHE N N 15 115.705 0.307 . 1 . . . . . 17 Phe N . 50156 1
74 . 1 . 1 20 20 LYS H H 1 7.452 0.000 . 1 . . . . . 18 Lys H . 50156 1
75 . 1 . 1 20 20 LYS C C 13 180.377 0.000 . 1 . . . . . 18 Lys CO . 50156 1
76 . 1 . 1 20 20 LYS CA C 13 59.079 0.004 . 1 . . . . . 18 Lys CA . 50156 1
77 . 1 . 1 20 20 LYS CB C 13 31.017 0.021 . 1 . . . . . 18 Lys CB . 50156 1
78 . 1 . 1 20 20 LYS N N 15 120.569 0.043 . 1 . . . . . 18 Lys N . 50156 1
79 . 1 . 1 21 21 ASP H H 1 8.465 0.004 . 1 . . . . . 19 Asp H . 50156 1
80 . 1 . 1 21 21 ASP C C 13 177.090 0.000 . 1 . . . . . 19 Asp CO . 50156 1
81 . 1 . 1 21 21 ASP CA C 13 57.788 0.011 . 1 . . . . . 19 Asp CA . 50156 1
82 . 1 . 1 21 21 ASP CB C 13 40.652 0.022 . 1 . . . . . 19 Asp CB . 50156 1
83 . 1 . 1 21 21 ASP N N 15 123.039 0.266 . 1 . . . . . 19 Asp N . 50156 1
84 . 1 . 1 22 22 ALA H H 1 6.729 0.002 . 1 . . . . . 20 Ala H . 50156 1
85 . 1 . 1 22 22 ALA C C 13 175.676 0.000 . 1 . . . . . 20 Ala CO . 50156 1
86 . 1 . 1 22 22 ALA CA C 13 52.689 0.006 . 1 . . . . . 20 Ala CA . 50156 1
87 . 1 . 1 22 22 ALA CB C 13 17.834 0.004 . 1 . . . . . 20 Ala CB . 50156 1
88 . 1 . 1 22 22 ALA N N 15 114.359 0.298 . 1 . . . . . 20 Ala N . 50156 1
89 . 1 . 1 23 23 ARG H H 1 6.939 0.003 . 1 . . . . . 21 Arg H . 50156 1
90 . 1 . 1 23 23 ARG C C 13 174.830 0.000 . 1 . . . . . 21 Arg CO . 50156 1
91 . 1 . 1 23 23 ARG CA C 13 54.026 0.005 . 1 . . . . . 21 Arg CA . 50156 1
92 . 1 . 1 23 23 ARG CB C 13 30.253 0.057 . 1 . . . . . 21 Arg CB . 50156 1
93 . 1 . 1 23 23 ARG N N 15 112.837 0.291 . 1 . . . . . 21 Arg N . 50156 1
94 . 1 . 1 24 24 ASP H H 1 7.113 0.003 . 1 . . . . . 22 Asp H . 50156 1
95 . 1 . 1 24 24 ASP C C 13 174.836 0.000 . 1 . . . . . 22 Asp CO . 50156 1
96 . 1 . 1 24 24 ASP CA C 13 52.598 0.007 . 1 . . . . . 22 Asp CA . 50156 1
97 . 1 . 1 24 24 ASP CB C 13 40.113 0.009 . 1 . . . . . 22 Asp CB . 50156 1
98 . 1 . 1 24 24 ASP N N 15 121.605 0.263 . 1 . . . . . 22 Asp N . 50156 1
99 . 1 . 1 25 25 ALA H H 1 8.445 0.004 . 1 . . . . . 23 Ala H . 50156 1
100 . 1 . 1 25 25 ALA C C 13 180.057 0.000 . 1 . . . . . 23 Ala CO . 50156 1
101 . 1 . 1 25 25 ALA CA C 13 55.364 0.006 . 1 . . . . . 23 Ala CA . 50156 1
102 . 1 . 1 25 25 ALA CB C 13 18.205 0.008 . 1 . . . . . 23 Ala CB . 50156 1
103 . 1 . 1 25 25 ALA N N 15 127.959 0.281 . 1 . . . . . 23 Ala N . 50156 1
104 . 1 . 1 26 26 GLU H H 1 8.183 0.003 . 1 . . . . . 24 Glu H . 50156 1
105 . 1 . 1 26 26 GLU C C 13 179.119 0.000 . 1 . . . . . 24 Glu CO . 50156 1
106 . 1 . 1 26 26 GLU CA C 13 59.538 0.006 . 1 . . . . . 24 Glu CA . 50156 1
107 . 1 . 1 26 26 GLU CB C 13 28.815 0.030 . 1 . . . . . 24 Glu CB . 50156 1
108 . 1 . 1 26 26 GLU N N 15 118.011 0.300 . 1 . . . . . 24 Glu N . 50156 1
109 . 1 . 1 27 27 GLN H H 1 7.422 0.002 . 1 . . . . . 25 Gln H . 50156 1
110 . 1 . 1 27 27 GLN C C 13 178.791 0.000 . 1 . . . . . 25 Gln CO . 50156 1
111 . 1 . 1 27 27 GLN CA C 13 59.442 0.013 . 1 . . . . . 25 Gln CA . 50156 1
112 . 1 . 1 27 27 GLN CB C 13 30.472 0.013 . 1 . . . . . 25 Gln CB . 50156 1
113 . 1 . 1 27 27 GLN N N 15 119.145 0.325 . 1 . . . . . 25 Gln N . 50156 1
114 . 1 . 1 28 28 LEU H H 1 8.321 0.003 . 1 . . . . . 26 Leu H . 50156 1
115 . 1 . 1 28 28 LEU C C 13 179.042 0.000 . 1 . . . . . 26 Leu CO . 50156 1
116 . 1 . 1 28 28 LEU CA C 13 58.401 0.007 . 1 . . . . . 26 Leu CA . 50156 1
117 . 1 . 1 28 28 LEU CB C 13 40.519 0.030 . 1 . . . . . 26 Leu CB . 50156 1
118 . 1 . 1 28 28 LEU N N 15 118.468 0.277 . 1 . . . . . 26 Leu N . 50156 1
119 . 1 . 1 29 29 SER H H 1 7.841 0.002 . 1 . . . . . 27 Ser H . 50156 1
120 . 1 . 1 29 29 SER C C 13 178.898 0.000 . 1 . . . . . 27 Ser CO . 50156 1
121 . 1 . 1 29 29 SER CA C 13 60.991 0.017 . 1 . . . . . 27 Ser CA . 50156 1
122 . 1 . 1 29 29 SER CB C 13 62.372 0.011 . 1 . . . . . 27 Ser CB . 50156 1
123 . 1 . 1 29 29 SER N N 15 112.337 0.273 . 1 . . . . . 27 Ser N . 50156 1
124 . 1 . 1 30 30 LYS H H 1 8.084 0.003 . 1 . . . . . 28 Lys H . 50156 1
125 . 1 . 1 30 30 LYS C C 13 177.805 0.000 . 1 . . . . . 28 Lys CO . 50156 1
126 . 1 . 1 30 30 LYS CA C 13 59.360 0.007 . 1 . . . . . 28 Lys CA . 50156 1
127 . 1 . 1 30 30 LYS CB C 13 31.784 0.015 . 1 . . . . . 28 Lys CB . 50156 1
128 . 1 . 1 30 30 LYS N N 15 123.191 0.302 . 1 . . . . . 28 Lys N . 50156 1
129 . 1 . 1 31 31 ASN H H 1 7.405 0.003 . 1 . . . . . 29 Asn H . 50156 1
130 . 1 . 1 31 31 ASN C C 13 172.798 0.000 . 1 . . . . . 29 Asn CO . 50156 1
131 . 1 . 1 31 31 ASN CA C 13 52.860 0.008 . 1 . . . . . 29 Asn CA . 50156 1
132 . 1 . 1 31 31 ASN CB C 13 38.120 0.022 . 1 . . . . . 29 Asn CB . 50156 1
133 . 1 . 1 31 31 ASN N N 15 113.958 0.299 . 1 . . . . . 29 Asn N . 50156 1
134 . 1 . 1 32 32 LYS H H 1 7.652 0.002 . 1 . . . . . 30 Lys H . 50156 1
135 . 1 . 1 32 32 LYS C C 13 175.433 0.000 . 1 . . . . . 30 Lys CO . 50156 1
136 . 1 . 1 32 32 LYS CA C 13 56.748 0.040 . 1 . . . . . 30 Lys CA . 50156 1
137 . 1 . 1 32 32 LYS CB C 13 28.824 0.046 . 1 . . . . . 30 Lys CB . 50156 1
138 . 1 . 1 32 32 LYS N N 15 118.207 0.292 . 1 . . . . . 30 Lys N . 50156 1
139 . 1 . 1 33 33 VAL H H 1 8.243 0.003 . 1 . . . . . 31 Val H . 50156 1
140 . 1 . 1 33 33 VAL C C 13 176.309 0.000 . 1 . . . . . 31 Val CO . 50156 1
141 . 1 . 1 33 33 VAL CA C 13 62.821 0.005 . 1 . . . . . 31 Val CA . 50156 1
142 . 1 . 1 33 33 VAL CB C 13 30.835 0.041 . 1 . . . . . 31 Val CB . 50156 1
143 . 1 . 1 33 33 VAL N N 15 118.811 0.261 . 1 . . . . . 31 Val N . 50156 1
144 . 1 . 1 34 34 THR H H 1 8.262 0.004 . 1 . . . . . 32 Thr H . 50156 1
145 . 1 . 1 34 34 THR C C 13 174.270 0.000 . 1 . . . . . 32 Thr CO . 50156 1
146 . 1 . 1 34 34 THR CA C 13 60.623 0.006 . 1 . . . . . 32 Thr CA . 50156 1
147 . 1 . 1 34 34 THR CB C 13 70.163 0.020 . 1 . . . . . 32 Thr CB . 50156 1
148 . 1 . 1 34 34 THR N N 15 115.528 0.313 . 1 . . . . . 32 Thr N . 50156 1
149 . 1 . 1 35 35 HIS H H 1 7.867 0.002 . 1 . . . . . 33 His H . 50156 1
150 . 1 . 1 35 35 HIS C C 13 173.150 0.000 . 1 . . . . . 33 His CO . 50156 1
151 . 1 . 1 35 35 HIS CA C 13 54.626 0.003 . 1 . . . . . 33 His CA . 50156 1
152 . 1 . 1 35 35 HIS CB C 13 31.982 0.015 . 1 . . . . . 33 His CB . 50156 1
153 . 1 . 1 35 35 HIS N N 15 124.073 0.318 . 1 . . . . . 33 His N . 50156 1
154 . 1 . 1 36 36 ILE H H 1 9.153 0.003 . 1 . . . . . 34 Ile H . 50156 1
155 . 1 . 1 36 36 ILE C C 13 172.545 0.000 . 1 . . . . . 34 Ile CO . 50156 1
156 . 1 . 1 36 36 ILE CA C 13 60.503 0.008 . 1 . . . . . 34 Ile CA . 50156 1
157 . 1 . 1 36 36 ILE CB C 13 40.574 0.022 . 1 . . . . . 34 Ile CB . 50156 1
158 . 1 . 1 36 36 ILE N N 15 122.046 0.287 . 1 . . . . . 34 Ile N . 50156 1
159 . 1 . 1 37 37 LEU H H 1 9.563 0.003 . 1 . . . . . 35 Leu H . 50156 1
160 . 1 . 1 37 37 LEU CA C 13 53.758 0.000 . 1 . . . . . 35 Leu CA . 50156 1
161 . 1 . 1 37 37 LEU CB C 13 43.790 0.000 . 1 . . . . . 35 Leu CB . 50156 1
162 . 1 . 1 37 37 LEU N N 15 132.802 0.261 . 1 . . . . . 35 Leu N . 50156 1
163 . 1 . 1 46 46 MET C C 13 175.467 0.000 . 1 . . . . . 44 Met CO . 50156 1
164 . 1 . 1 46 46 MET CA C 13 56.020 0.020 . 1 . . . . . 44 Met CA . 50156 1
165 . 1 . 1 46 46 MET CB C 13 33.909 0.037 . 1 . . . . . 44 Met CB . 50156 1
166 . 1 . 1 47 47 LEU H H 1 8.235 0.003 . 1 . . . . . 45 Leu H . 50156 1
167 . 1 . 1 47 47 LEU C C 13 177.272 0.000 . 1 . . . . . 45 Leu CO . 50156 1
168 . 1 . 1 47 47 LEU CA C 13 54.482 0.004 . 1 . . . . . 45 Leu CA . 50156 1
169 . 1 . 1 47 47 LEU CB C 13 42.960 0.058 . 1 . . . . . 45 Leu CB . 50156 1
170 . 1 . 1 47 47 LEU N N 15 121.630 0.246 . 1 . . . . . 45 Leu N . 50156 1
171 . 1 . 1 48 48 GLU H H 1 8.584 0.004 . 1 . . . . . 46 Glu H . 50156 1
172 . 1 . 1 48 48 GLU C C 13 177.638 0.000 . 1 . . . . . 46 Glu CO . 50156 1
173 . 1 . 1 48 48 GLU CA C 13 56.843 0.012 . 1 . . . . . 46 Glu CA . 50156 1
174 . 1 . 1 48 48 GLU CB C 13 29.743 0.016 . 1 . . . . . 46 Glu CB . 50156 1
175 . 1 . 1 48 48 GLU N N 15 122.385 0.298 . 1 . . . . . 46 Glu N . 50156 1
176 . 1 . 1 49 49 GLY H H 1 8.849 0.005 . 1 . . . . . 47 Gly H . 50156 1
177 . 1 . 1 49 49 GLY C C 13 173.634 0.000 . 1 . . . . . 47 Gly CO . 50156 1
178 . 1 . 1 49 49 GLY CA C 13 45.833 0.012 . 1 . . . . . 47 Gly CA . 50156 1
179 . 1 . 1 49 49 GLY N N 15 110.293 0.278 . 1 . . . . . 47 Gly N . 50156 1
180 . 1 . 1 50 50 VAL H H 1 7.061 0.002 . 1 . . . . . 48 Val H . 50156 1
181 . 1 . 1 50 50 VAL C C 13 174.434 0.000 . 1 . . . . . 48 Val CO . 50156 1
182 . 1 . 1 50 50 VAL CA C 13 60.705 0.009 . 1 . . . . . 48 Val CA . 50156 1
183 . 1 . 1 50 50 VAL CB C 13 33.983 0.018 . 1 . . . . . 48 Val CB . 50156 1
184 . 1 . 1 50 50 VAL N N 15 118.634 0.261 . 1 . . . . . 48 Val N . 50156 1
185 . 1 . 1 51 51 LYS H H 1 7.742 0.002 . 1 . . . . . 49 Lys H . 50156 1
186 . 1 . 1 51 51 LYS C C 13 175.079 0.000 . 1 . . . . . 49 Lys CO . 50156 1
187 . 1 . 1 51 51 LYS CA C 13 55.579 0.010 . 1 . . . . . 49 Lys CA . 50156 1
188 . 1 . 1 51 51 LYS CB C 13 32.475 0.009 . 1 . . . . . 49 Lys CB . 50156 1
189 . 1 . 1 51 51 LYS N N 15 126.151 0.277 . 1 . . . . . 49 Lys N . 50156 1
190 . 1 . 1 52 52 TYR H H 1 8.843 0.003 . 1 . . . . . 50 Tyr H . 50156 1
191 . 1 . 1 52 52 TYR C C 13 177.154 0.000 . 1 . . . . . 50 Tyr CO . 50156 1
192 . 1 . 1 52 52 TYR CA C 13 57.902 0.010 . 1 . . . . . 50 Tyr CA . 50156 1
193 . 1 . 1 52 52 TYR CB C 13 42.877 0.026 . 1 . . . . . 50 Tyr CB . 50156 1
194 . 1 . 1 52 52 TYR N N 15 123.020 0.304 . 1 . . . . . 50 Tyr N . 50156 1
195 . 1 . 1 53 53 LEU H H 1 8.274 0.003 . 1 . . . . . 51 Leu H . 50156 1
196 . 1 . 1 53 53 LEU C C 13 174.531 0.000 . 1 . . . . . 51 Leu CO . 50156 1
197 . 1 . 1 53 53 LEU CA C 13 55.499 0.021 . 1 . . . . . 51 Leu CA . 50156 1
198 . 1 . 1 53 53 LEU CB C 13 40.655 0.029 . 1 . . . . . 51 Leu CB . 50156 1
199 . 1 . 1 53 53 LEU N N 15 124.065 0.276 . 1 . . . . . 51 Leu N . 50156 1
200 . 1 . 1 54 54 CYS H H 1 8.721 0.003 . 1 . . . . . 52 Cys H . 50156 1
201 . 1 . 1 54 54 CYS C C 13 173.857 0.000 . 1 . . . . . 52 Cys CO . 50156 1
202 . 1 . 1 54 54 CYS CA C 13 57.451 0.012 . 1 . . . . . 52 Cys CA . 50156 1
203 . 1 . 1 54 54 CYS CB C 13 28.170 0.051 . 1 . . . . . 52 Cys CB . 50156 1
204 . 1 . 1 54 54 CYS N N 15 124.668 0.285 . 1 . . . . . 52 Cys N . 50156 1
205 . 1 . 1 55 55 ILE H H 1 8.889 0.003 . 1 . . . . . 53 Ile H . 50156 1
206 . 1 . 1 55 55 ILE CA C 13 57.205 0.000 . 1 . . . . . 53 Ile CA . 50156 1
207 . 1 . 1 55 55 ILE CB C 13 39.907 0.000 . 1 . . . . . 53 Ile CB . 50156 1
208 . 1 . 1 55 55 ILE N N 15 126.259 0.277 . 1 . . . . . 53 Ile N . 50156 1
209 . 1 . 1 57 57 ALA C C 13 175.648 0.000 . 1 . . . . . 55 Ala CO . 50156 1
210 . 1 . 1 57 57 ALA CA C 13 51.576 0.036 . 1 . . . . . 55 Ala CA . 50156 1
211 . 1 . 1 57 57 ALA CB C 13 21.444 0.036 . 1 . . . . . 55 Ala CB . 50156 1
212 . 1 . 1 58 58 ALA H H 1 8.290 0.004 . 1 . . . . . 56 Ala H . 50156 1
213 . 1 . 1 58 58 ALA C C 13 178.199 0.000 . 1 . . . . . 56 Ala CO . 50156 1
214 . 1 . 1 58 58 ALA CA C 13 51.190 0.016 . 1 . . . . . 56 Ala CA . 50156 1
215 . 1 . 1 58 58 ALA CB C 13 20.155 0.023 . 1 . . . . . 56 Ala CB . 50156 1
216 . 1 . 1 58 58 ALA N N 15 126.014 0.288 . 1 . . . . . 56 Ala N . 50156 1
217 . 1 . 1 59 59 ASP H H 1 9.141 0.003 . 1 . . . . . 57 Asp H . 50156 1
218 . 1 . 1 59 59 ASP C C 13 174.581 0.000 . 1 . . . . . 57 Asp CO . 50156 1
219 . 1 . 1 59 59 ASP CA C 13 53.037 0.009 . 1 . . . . . 57 Asp CA . 50156 1
220 . 1 . 1 59 59 ASP CB C 13 39.213 0.040 . 1 . . . . . 57 Asp CB . 50156 1
221 . 1 . 1 59 59 ASP N N 15 122.255 0.292 . 1 . . . . . 57 Asp N . 50156 1
222 . 1 . 1 60 60 SER H H 1 6.922 0.002 . 1 . . . . . 58 Ser H . 50156 1
223 . 1 . 1 60 60 SER CA C 13 53.076 0.000 . 1 . . . . . 58 Ser CA . 50156 1
224 . 1 . 1 60 60 SER CB C 13 64.900 0.000 . 1 . . . . . 58 Ser CB . 50156 1
225 . 1 . 1 60 60 SER N N 15 115.225 0.289 . 1 . . . . . 58 Ser N . 50156 1
226 . 1 . 1 61 61 PRO C C 13 176.089 0.000 . 1 . . . . . 59 Pro CO . 50156 1
227 . 1 . 1 61 61 PRO CA C 13 63.980 0.002 . 1 . . . . . 59 Pro CA . 50156 1
228 . 1 . 1 61 61 PRO CB C 13 31.024 0.012 . 1 . . . . . 59 Pro CB . 50156 1
229 . 1 . 1 62 62 SER H H 1 7.660 0.003 . 1 . . . . . 60 Ser H . 50156 1
230 . 1 . 1 62 62 SER C C 13 174.466 0.000 . 1 . . . . . 60 Ser CO . 50156 1
231 . 1 . 1 62 62 SER CA C 13 57.924 0.019 . 1 . . . . . 60 Ser CA . 50156 1
232 . 1 . 1 62 62 SER CB C 13 63.155 0.022 . 1 . . . . . 60 Ser CB . 50156 1
233 . 1 . 1 62 62 SER N N 15 109.454 0.366 . 1 . . . . . 60 Ser N . 50156 1
234 . 1 . 1 63 63 GLN H H 1 7.695 0.003 . 1 . . . . . 61 Gln H . 50156 1
235 . 1 . 1 63 63 GLN C C 13 174.497 0.000 . 1 . . . . . 61 Gln CO . 50156 1
236 . 1 . 1 63 63 GLN CA C 13 55.059 0.021 . 1 . . . . . 61 Gln CA . 50156 1
237 . 1 . 1 63 63 GLN CB C 13 29.511 0.024 . 1 . . . . . 61 Gln CB . 50156 1
238 . 1 . 1 63 63 GLN N N 15 125.083 0.278 . 1 . . . . . 61 Gln N . 50156 1
239 . 1 . 1 64 64 ASN H H 1 9.140 0.003 . 1 . . . . . 62 Asn H . 50156 1
240 . 1 . 1 64 64 ASN C C 13 176.594 0.000 . 1 . . . . . 62 Asn CO . 50156 1
241 . 1 . 1 64 64 ASN CA C 13 53.972 0.018 . 1 . . . . . 62 Asn CA . 50156 1
242 . 1 . 1 64 64 ASN CB C 13 38.309 0.062 . 1 . . . . . 62 Asn CB . 50156 1
243 . 1 . 1 64 64 ASN N N 15 128.317 0.311 . 1 . . . . . 62 Asn N . 50156 1
244 . 1 . 1 65 65 LEU H H 1 9.563 0.002 . 1 . . . . . 63 Leu H . 50156 1
245 . 1 . 1 65 65 LEU C C 13 176.902 0.000 . 1 . . . . . 63 Leu CO . 50156 1
246 . 1 . 1 65 65 LEU CA C 13 55.086 0.008 . 1 . . . . . 63 Leu CA . 50156 1
247 . 1 . 1 65 65 LEU CB C 13 43.264 0.017 . 1 . . . . . 63 Leu CB . 50156 1
248 . 1 . 1 65 65 LEU N N 15 126.835 0.288 . 1 . . . . . 63 Leu N . 50156 1
249 . 1 . 1 66 66 THR H H 1 7.362 0.003 . 1 . . . . . 64 Thr H . 50156 1
250 . 1 . 1 66 66 THR C C 13 177.385 0.000 . 1 . . . . . 64 Thr CO . 50156 1
251 . 1 . 1 66 66 THR CA C 13 64.516 0.012 . 1 . . . . . 64 Thr CA . 50156 1
252 . 1 . 1 66 66 THR CB C 13 67.689 0.023 . 1 . . . . . 64 Thr CB . 50156 1
253 . 1 . 1 66 66 THR N N 15 117.915 0.273 . 1 . . . . . 64 Thr N . 50156 1
254 . 1 . 1 67 67 ARG H H 1 8.289 0.005 . 1 . . . . . 65 Arg H . 50156 1
255 . 1 . 1 67 67 ARG C C 13 175.869 0.000 . 1 . . . . . 65 Arg CO . 50156 1
256 . 1 . 1 67 67 ARG CA C 13 57.676 0.008 . 1 . . . . . 65 Arg CA . 50156 1
257 . 1 . 1 67 67 ARG CB C 13 28.403 0.010 . 1 . . . . . 65 Arg CB . 50156 1
258 . 1 . 1 67 67 ARG N N 15 119.891 0.280 . 1 . . . . . 65 Arg N . 50156 1
259 . 1 . 1 68 68 HIS H H 1 7.873 0.004 . 1 . . . . . 66 His H . 50156 1
260 . 1 . 1 68 68 HIS C C 13 177.009 0.000 . 1 . . . . . 66 His CO . 50156 1
261 . 1 . 1 68 68 HIS CA C 13 55.592 0.010 . 1 . . . . . 66 His CA . 50156 1
262 . 1 . 1 68 68 HIS CB C 13 29.766 0.008 . 1 . . . . . 66 His CB . 50156 1
263 . 1 . 1 68 68 HIS N N 15 117.460 0.414 . 1 . . . . . 66 His N . 50156 1
264 . 1 . 1 69 69 PHE H H 1 8.080 0.003 . 1 . . . . . 67 Phe H . 50156 1
265 . 1 . 1 69 69 PHE C C 13 177.279 0.000 . 1 . . . . . 67 Phe CO . 50156 1
266 . 1 . 1 69 69 PHE CA C 13 58.590 0.010 . 1 . . . . . 67 Phe CA . 50156 1
267 . 1 . 1 69 69 PHE CB C 13 35.604 0.052 . 1 . . . . . 67 Phe CB . 50156 1
268 . 1 . 1 69 69 PHE N N 15 123.380 0.294 . 1 . . . . . 67 Phe N . 50156 1
269 . 1 . 1 70 70 LYS H H 1 9.181 0.003 . 1 . . . . . 68 Lys H . 50156 1
270 . 1 . 1 70 70 LYS C C 13 178.218 0.000 . 1 . . . . . 68 Lys CO . 50156 1
271 . 1 . 1 70 70 LYS CA C 13 61.917 0.006 . 1 . . . . . 68 Lys CA . 50156 1
272 . 1 . 1 70 70 LYS CB C 13 30.263 0.025 . 1 . . . . . 68 Lys CB . 50156 1
273 . 1 . 1 70 70 LYS N N 15 121.942 0.311 . 1 . . . . . 68 Lys N . 50156 1
274 . 1 . 1 71 71 GLU H H 1 8.949 0.004 . 1 . . . . . 69 Glu H . 50156 1
275 . 1 . 1 71 71 GLU CA C 13 59.030 0.011 . 1 . . . . . 69 Glu CA . 50156 1
276 . 1 . 1 71 71 GLU CB C 13 28.447 0.040 . 1 . . . . . 69 Glu CB . 50156 1
277 . 1 . 1 71 71 GLU N N 15 117.524 0.278 . 1 . . . . . 69 Glu N . 50156 1
278 . 1 . 1 72 72 SER H H 1 7.808 0.003 . 1 . . . . . 70 Ser H . 50156 1
279 . 1 . 1 72 72 SER C C 13 174.921 0.000 . 1 . . . . . 70 Ser CO . 50156 1
280 . 1 . 1 72 72 SER CA C 13 63.262 0.031 . 1 . . . . . 70 Ser CA . 50156 1
281 . 1 . 1 72 72 SER CB C 13 62.049 0.036 . 1 . . . . . 70 Ser CB . 50156 1
282 . 1 . 1 72 72 SER N N 15 117.089 0.413 . 1 . . . . . 70 Ser N . 50156 1
283 . 1 . 1 73 73 ILE H H 1 8.904 0.002 . 1 . . . . . 71 Ile H . 50156 1
284 . 1 . 1 73 73 ILE C C 13 177.303 0.000 . 1 . . . . . 71 Ile CO . 50156 1
285 . 1 . 1 73 73 ILE CA C 13 66.264 0.004 . 1 . . . . . 71 Ile CA . 50156 1
286 . 1 . 1 73 73 ILE CB C 13 37.776 0.017 . 1 . . . . . 71 Ile CB . 50156 1
287 . 1 . 1 73 73 ILE N N 15 122.988 0.288 . 1 . . . . . 71 Ile N . 50156 1
288 . 1 . 1 74 74 LYS H H 1 8.663 0.003 . 1 . . . . . 72 Lys H . 50156 1
289 . 1 . 1 74 74 LYS C C 13 176.817 0.000 . 1 . . . . . 72 Lys CO . 50156 1
290 . 1 . 1 74 74 LYS CA C 13 60.908 0.023 . 1 . . . . . 72 Lys CA . 50156 1
291 . 1 . 1 74 74 LYS CB C 13 33.168 0.005 . 1 . . . . . 72 Lys CB . 50156 1
292 . 1 . 1 74 74 LYS N N 15 120.098 0.296 . 1 . . . . . 72 Lys N . 50156 1
293 . 1 . 1 75 75 PHE H H 1 7.673 0.003 . 1 . . . . . 73 Phe H . 50156 1
294 . 1 . 1 75 75 PHE C C 13 178.067 0.000 . 1 . . . . . 73 Phe CO . 50156 1
295 . 1 . 1 75 75 PHE CA C 13 61.398 0.003 . 1 . . . . . 73 Phe CA . 50156 1
296 . 1 . 1 75 75 PHE CB C 13 40.545 0.009 . 1 . . . . . 73 Phe CB . 50156 1
297 . 1 . 1 75 75 PHE N N 15 118.118 0.289 . 1 . . . . . 73 Phe N . 50156 1
298 . 1 . 1 76 76 ILE H H 1 8.443 0.002 . 1 . . . . . 74 Ile H . 50156 1
299 . 1 . 1 76 76 ILE C C 13 178.146 0.000 . 1 . . . . . 74 Ile CO . 50156 1
300 . 1 . 1 76 76 ILE CA C 13 65.175 0.007 . 1 . . . . . 74 Ile CA . 50156 1
301 . 1 . 1 76 76 ILE CB C 13 39.614 0.023 . 1 . . . . . 74 Ile CB . 50156 1
302 . 1 . 1 76 76 ILE N N 15 117.292 0.304 . 1 . . . . . 74 Ile N . 50156 1
303 . 1 . 1 77 77 HIS H H 1 9.246 0.004 . 1 . . . . . 75 His H . 50156 1
304 . 1 . 1 77 77 HIS C C 13 177.964 0.000 . 1 . . . . . 75 His CO . 50156 1
305 . 1 . 1 77 77 HIS CA C 13 60.781 0.005 . 1 . . . . . 75 His CA . 50156 1
306 . 1 . 1 77 77 HIS CB C 13 31.038 0.019 . 1 . . . . . 75 His CB . 50156 1
307 . 1 . 1 77 77 HIS N N 15 119.667 0.311 . 1 . . . . . 75 His N . 50156 1
308 . 1 . 1 78 78 GLU H H 1 8.325 0.003 . 1 . . . . . 76 Glu H . 50156 1
309 . 1 . 1 78 78 GLU C C 13 178.721 0.000 . 1 . . . . . 76 Glu CO . 50156 1
310 . 1 . 1 78 78 GLU CA C 13 60.002 0.011 . 1 . . . . . 76 Glu CA . 50156 1
311 . 1 . 1 78 78 GLU CB C 13 27.724 0.008 . 1 . . . . . 76 Glu CB . 50156 1
312 . 1 . 1 78 78 GLU N N 15 113.827 0.286 . 1 . . . . . 76 Glu N . 50156 1
313 . 1 . 1 79 79 CYS H H 1 6.522 0.003 . 1 . . . . . 77 Cys H . 50156 1
314 . 1 . 1 79 79 CYS C C 13 176.015 0.000 . 1 . . . . . 77 Cys CO . 50156 1
315 . 1 . 1 79 79 CYS CA C 13 62.146 0.010 . 1 . . . . . 77 Cys CA . 50156 1
316 . 1 . 1 79 79 CYS CB C 13 24.683 0.031 . 1 . . . . . 77 Cys CB . 50156 1
317 . 1 . 1 79 79 CYS N N 15 117.426 0.282 . 1 . . . . . 77 Cys N . 50156 1
318 . 1 . 1 80 80 ARG H H 1 7.990 0.003 . 1 . . . . . 78 Arg H . 50156 1
319 . 1 . 1 80 80 ARG C C 13 181.801 0.000 . 1 . . . . . 78 Arg CO . 50156 1
320 . 1 . 1 80 80 ARG CA C 13 60.122 0.006 . 1 . . . . . 78 Arg CA . 50156 1
321 . 1 . 1 80 80 ARG CB C 13 28.755 0.005 . 1 . . . . . 78 Arg CB . 50156 1
322 . 1 . 1 80 80 ARG N N 15 118.210 0.308 . 1 . . . . . 78 Arg N . 50156 1
323 . 1 . 1 81 81 LEU H H 1 8.636 0.003 . 1 . . . . . 79 Leu H . 50156 1
324 . 1 . 1 81 81 LEU C C 13 178.986 0.000 . 1 . . . . . 79 Leu CO . 50156 1
325 . 1 . 1 81 81 LEU CA C 13 57.424 0.020 . 1 . . . . . 79 Leu CA . 50156 1
326 . 1 . 1 81 81 LEU CB C 13 41.107 0.020 . 1 . . . . . 79 Leu CB . 50156 1
327 . 1 . 1 81 81 LEU N N 15 121.400 0.326 . 1 . . . . . 79 Leu N . 50156 1
328 . 1 . 1 82 82 ARG H H 1 7.111 0.002 . 1 . . . . . 80 Arg H . 50156 1
329 . 1 . 1 82 82 ARG C C 13 176.621 0.000 . 1 . . . . . 80 Arg CO . 50156 1
330 . 1 . 1 82 82 ARG CA C 13 56.298 0.009 . 1 . . . . . 80 Arg CA . 50156 1
331 . 1 . 1 82 82 ARG CB C 13 30.094 0.010 . 1 . . . . . 80 Arg CB . 50156 1
332 . 1 . 1 82 82 ARG N N 15 116.898 0.305 . 1 . . . . . 80 Arg N . 50156 1
333 . 1 . 1 83 83 GLY H H 1 8.024 0.003 . 1 . . . . . 81 Gly H . 50156 1
334 . 1 . 1 83 83 GLY C C 13 174.672 0.000 . 1 . . . . . 81 Gly CO . 50156 1
335 . 1 . 1 83 83 GLY CA C 13 45.527 0.006 . 1 . . . . . 81 Gly CA . 50156 1
336 . 1 . 1 83 83 GLY N N 15 107.624 0.293 . 1 . . . . . 81 Gly N . 50156 1
337 . 1 . 1 84 84 GLU H H 1 7.079 0.002 . 1 . . . . . 82 Glu H . 50156 1
338 . 1 . 1 84 84 GLU C C 13 174.980 0.000 . 1 . . . . . 82 Glu CO . 50156 1
339 . 1 . 1 84 84 GLU CA C 13 54.621 0.002 . 1 . . . . . 82 Glu CA . 50156 1
340 . 1 . 1 84 84 GLU CB C 13 31.074 0.007 . 1 . . . . . 82 Glu CB . 50156 1
341 . 1 . 1 84 84 GLU N N 15 119.602 0.282 . 1 . . . . . 82 Glu N . 50156 1
342 . 1 . 1 85 85 SER H H 1 7.455 0.002 . 1 . . . . . 83 Ser H . 50156 1
343 . 1 . 1 85 85 SER C C 13 171.812 0.000 . 1 . . . . . 83 Ser CO . 50156 1
344 . 1 . 1 85 85 SER CA C 13 57.090 0.004 . 1 . . . . . 83 Ser CA . 50156 1
345 . 1 . 1 85 85 SER CB C 13 64.992 0.012 . 1 . . . . . 83 Ser CB . 50156 1
346 . 1 . 1 85 85 SER N N 15 112.860 0.278 . 1 . . . . . 83 Ser N . 50156 1
347 . 1 . 1 86 86 CYS H H 1 8.832 0.003 . 1 . . . . . 84 Cys H . 50156 1
348 . 1 . 1 86 86 CYS C C 13 173.385 0.000 . 1 . . . . . 84 Cys CO . 50156 1
349 . 1 . 1 86 86 CYS CA C 13 55.639 0.006 . 1 . . . . . 84 Cys CA . 50156 1
350 . 1 . 1 86 86 CYS CB C 13 28.812 0.025 . 1 . . . . . 84 Cys CB . 50156 1
351 . 1 . 1 86 86 CYS N N 15 124.474 0.301 . 1 . . . . . 84 Cys N . 50156 1
352 . 1 . 1 87 87 LEU H H 1 8.685 0.004 . 1 . . . . . 85 Leu H . 50156 1
353 . 1 . 1 87 87 LEU C C 13 173.417 0.000 . 1 . . . . . 85 Leu CO . 50156 1
354 . 1 . 1 87 87 LEU CA C 13 53.065 0.009 . 1 . . . . . 85 Leu CA . 50156 1
355 . 1 . 1 87 87 LEU CB C 13 44.825 0.011 . 1 . . . . . 85 Leu CB . 50156 1
356 . 1 . 1 87 87 LEU N N 15 130.430 0.285 . 1 . . . . . 85 Leu N . 50156 1
357 . 1 . 1 88 88 VAL H H 1 9.246 0.003 . 1 . . . . . 86 Val H . 50156 1
358 . 1 . 1 88 88 VAL C C 13 174.728 0.000 . 1 . . . . . 86 Val CO . 50156 1
359 . 1 . 1 88 88 VAL CA C 13 60.285 0.009 . 1 . . . . . 86 Val CA . 50156 1
360 . 1 . 1 88 88 VAL CB C 13 31.436 0.000 . 1 . . . . . 86 Val CB . 50156 1
361 . 1 . 1 88 88 VAL N N 15 129.362 0.289 . 1 . . . . . 86 Val N . 50156 1
362 . 1 . 1 89 89 HIS H H 1 9.468 0.003 . 1 . . . . . 87 His H . 50156 1
363 . 1 . 1 89 89 HIS CA C 13 54.063 0.000 . 1 . . . . . 87 His CA . 50156 1
364 . 1 . 1 89 89 HIS N N 15 122.950 0.243 . 1 . . . . . 87 His N . 50156 1
365 . 1 . 1 91 91 LEU CA C 13 58.287 0.018 . 1 . . . . . 89 Leu CA . 50156 1
366 . 1 . 1 92 92 ALA H H 1 8.323 0.003 . 1 . . . . . 90 Ala H . 50156 1
367 . 1 . 1 92 92 ALA C C 13 178.369 0.000 . 1 . . . . . 90 Ala CO . 50156 1
368 . 1 . 1 92 92 ALA CA C 13 51.649 0.010 . 1 . . . . . 90 Ala CA . 50156 1
369 . 1 . 1 92 92 ALA CB C 13 21.168 0.014 . 1 . . . . . 90 Ala CB . 50156 1
370 . 1 . 1 92 92 ALA N N 15 119.197 0.256 . 1 . . . . . 90 Ala N . 50156 1
371 . 1 . 1 93 93 GLY H H 1 9.962 0.004 . 1 . . . . . 91 Gly H . 50156 1
372 . 1 . 1 93 93 GLY C C 13 173.836 0.000 . 1 . . . . . 91 Gly CO . 50156 1
373 . 1 . 1 93 93 GLY CA C 13 47.446 0.003 . 1 . . . . . 91 Gly CA . 50156 1
374 . 1 . 1 93 93 GLY N N 15 119.063 0.322 . 1 . . . . . 91 Gly N . 50156 1
375 . 1 . 1 94 94 VAL H H 1 7.360 0.003 . 1 . . . . . 92 Val H . 50156 1
376 . 1 . 1 94 94 VAL C C 13 175.892 0.000 . 1 . . . . . 92 Val CO . 50156 1
377 . 1 . 1 94 94 VAL CA C 13 64.020 0.011 . 1 . . . . . 92 Val CA . 50156 1
378 . 1 . 1 94 94 VAL CB C 13 33.397 0.053 . 1 . . . . . 92 Val CB . 50156 1
379 . 1 . 1 94 94 VAL N N 15 115.349 0.302 . 1 . . . . . 92 Val N . 50156 1
380 . 1 . 1 95 95 SER H H 1 8.177 0.006 . 1 . . . . . 93 Ser H . 50156 1
381 . 1 . 1 95 95 SER C C 13 177.081 0.000 . 1 . . . . . 93 Ser CO . 50156 1
382 . 1 . 1 95 95 SER CA C 13 58.873 0.030 . 1 . . . . . 93 Ser CA . 50156 1
383 . 1 . 1 95 95 SER CB C 13 63.506 0.020 . 1 . . . . . 93 Ser CB . 50156 1
384 . 1 . 1 95 95 SER N N 15 112.247 0.312 . 1 . . . . . 93 Ser N . 50156 1
385 . 1 . 1 96 96 ARG H H 1 8.624 0.005 . 1 . . . . . 94 Arg H . 50156 1
386 . 1 . 1 96 96 ARG C C 13 177.276 0.000 . 1 . . . . . 94 Arg CO . 50156 1
387 . 1 . 1 96 96 ARG CA C 13 61.467 0.042 . 1 . . . . . 94 Arg CA . 50156 1
388 . 1 . 1 96 96 ARG CB C 13 31.566 0.022 . 1 . . . . . 94 Arg CB . 50156 1
389 . 1 . 1 96 96 ARG N N 15 124.325 0.305 . 1 . . . . . 94 Arg N . 50156 1
390 . 1 . 1 97 97 SER H H 1 10.153 0.004 . 1 . . . . . 95 Ser H . 50156 1
391 . 1 . 1 97 97 SER C C 13 177.455 0.000 . 1 . . . . . 95 Ser CO . 50156 1
392 . 1 . 1 97 97 SER CA C 13 61.310 0.032 . 1 . . . . . 95 Ser CA . 50156 1
393 . 1 . 1 97 97 SER CB C 13 61.432 0.016 . 1 . . . . . 95 Ser CB . 50156 1
394 . 1 . 1 97 97 SER N N 15 117.213 0.329 . 1 . . . . . 95 Ser N . 50156 1
395 . 1 . 1 98 98 VAL H H 1 6.135 0.002 . 1 . . . . . 96 Val H . 50156 1
396 . 1 . 1 98 98 VAL C C 13 176.102 0.000 . 1 . . . . . 96 Val CO . 50156 1
397 . 1 . 1 98 98 VAL CA C 13 65.749 0.005 . 1 . . . . . 96 Val CA . 50156 1
398 . 1 . 1 98 98 VAL CB C 13 32.428 0.011 . 1 . . . . . 96 Val CB . 50156 1
399 . 1 . 1 98 98 VAL N N 15 119.922 0.285 . 1 . . . . . 96 Val N . 50156 1
400 . 1 . 1 99 99 THR H H 1 7.527 0.001 . 1 . . . . . 97 Thr H . 50156 1
401 . 1 . 1 99 99 THR C C 13 175.079 0.000 . 1 . . . . . 97 Thr CO . 50156 1
402 . 1 . 1 99 99 THR CA C 13 69.077 0.000 . 1 . . . . . 97 Thr CA . 50156 1
403 . 1 . 1 99 99 THR CB C 13 67.290 0.013 . 1 . . . . . 97 Thr CB . 50156 1
404 . 1 . 1 99 99 THR N N 15 117.338 0.309 . 1 . . . . . 97 Thr N . 50156 1
405 . 1 . 1 100 100 LEU H H 1 6.865 0.003 . 1 . . . . . 98 Leu H . 50156 1
406 . 1 . 1 100 100 LEU C C 13 178.598 0.000 . 1 . . . . . 98 Leu CO . 50156 1
407 . 1 . 1 100 100 LEU CA C 13 57.693 0.005 . 1 . . . . . 98 Leu CA . 50156 1
408 . 1 . 1 100 100 LEU CB C 13 40.786 0.030 . 1 . . . . . 98 Leu CB . 50156 1
409 . 1 . 1 100 100 LEU N N 15 116.751 0.305 . 1 . . . . . 98 Leu N . 50156 1
410 . 1 . 1 101 101 VAL H H 1 7.818 0.002 . 1 . . . . . 99 Val H . 50156 1
411 . 1 . 1 101 101 VAL C C 13 177.516 0.000 . 1 . . . . . 99 Val CO . 50156 1
412 . 1 . 1 101 101 VAL CA C 13 67.367 0.008 . 1 . . . . . 99 Val CA . 50156 1
413 . 1 . 1 101 101 VAL CB C 13 30.588 0.029 . 1 . . . . . 99 Val CB . 50156 1
414 . 1 . 1 101 101 VAL N N 15 117.503 0.289 . 1 . . . . . 99 Val N . 50156 1
415 . 1 . 1 102 102 ILE H H 1 8.733 0.004 . 1 . . . . . 100 Ile H . 50156 1
416 . 1 . 1 102 102 ILE C C 13 176.948 0.000 . 1 . . . . . 100 Ile CO . 50156 1
417 . 1 . 1 102 102 ILE CA C 13 67.022 0.012 . 1 . . . . . 100 Ile CA . 50156 1
418 . 1 . 1 102 102 ILE CB C 13 36.742 0.007 . 1 . . . . . 100 Ile CB . 50156 1
419 . 1 . 1 102 102 ILE N N 15 122.017 0.297 . 1 . . . . . 100 Ile N . 50156 1
420 . 1 . 1 103 103 ALA H H 1 7.391 0.002 . 1 . . . . . 101 Ala H . 50156 1
421 . 1 . 1 103 103 ALA C C 13 179.505 0.000 . 1 . . . . . 101 Ala CO . 50156 1
422 . 1 . 1 103 103 ALA CA C 13 55.328 0.011 . 1 . . . . . 101 Ala CA . 50156 1
423 . 1 . 1 103 103 ALA CB C 13 14.725 0.011 . 1 . . . . . 101 Ala CB . 50156 1
424 . 1 . 1 103 103 ALA N N 15 121.357 0.307 . 1 . . . . . 101 Ala N . 50156 1
425 . 1 . 1 104 104 TYR H H 1 7.800 0.003 . 1 . . . . . 102 Tyr H . 50156 1
426 . 1 . 1 104 104 TYR C C 13 177.116 0.000 . 1 . . . . . 102 Tyr CO . 50156 1
427 . 1 . 1 104 104 TYR CA C 13 63.202 0.005 . 1 . . . . . 102 Tyr CA . 50156 1
428 . 1 . 1 104 104 TYR CB C 13 37.605 0.010 . 1 . . . . . 102 Tyr CB . 50156 1
429 . 1 . 1 104 104 TYR N N 15 117.589 0.287 . 1 . . . . . 102 Tyr N . 50156 1
430 . 1 . 1 105 105 ILE H H 1 8.913 0.003 . 1 . . . . . 103 Ile H . 50156 1
431 . 1 . 1 105 105 ILE C C 13 179.182 0.000 . 1 . . . . . 103 Ile CO . 50156 1
432 . 1 . 1 105 105 ILE CA C 13 65.529 0.002 . 1 . . . . . 103 Ile CA . 50156 1
433 . 1 . 1 105 105 ILE CB C 13 37.318 0.032 . 1 . . . . . 103 Ile CB . 50156 1
434 . 1 . 1 105 105 ILE N N 15 120.401 0.271 . 1 . . . . . 103 Ile N . 50156 1
435 . 1 . 1 106 106 MET H H 1 8.800 0.003 . 1 . . . . . 104 Met H . 50156 1
436 . 1 . 1 106 106 MET C C 13 175.502 0.000 . 1 . . . . . 104 Met CO . 50156 1
437 . 1 . 1 106 106 MET CA C 13 59.145 0.018 . 1 . . . . . 104 Met CA . 50156 1
438 . 1 . 1 106 106 MET CB C 13 35.282 0.034 . 1 . . . . . 104 Met CB . 50156 1
439 . 1 . 1 106 106 MET N N 15 118.662 0.297 . 1 . . . . . 104 Met N . 50156 1
440 . 1 . 1 107 107 THR H H 1 7.413 0.002 . 1 . . . . . 105 Thr H . 50156 1
441 . 1 . 1 107 107 THR C C 13 174.734 0.000 . 1 . . . . . 105 Thr CO . 50156 1
442 . 1 . 1 107 107 THR CA C 13 66.524 0.009 . 1 . . . . . 105 Thr CA . 50156 1
443 . 1 . 1 107 107 THR CB C 13 67.905 0.011 . 1 . . . . . 105 Thr CB . 50156 1
444 . 1 . 1 107 107 THR N N 15 112.420 0.308 . 1 . . . . . 105 Thr N . 50156 1
445 . 1 . 1 108 108 VAL H H 1 7.409 0.003 . 1 . . . . . 106 Val H . 50156 1
446 . 1 . 1 108 108 VAL C C 13 175.402 0.000 . 1 . . . . . 106 Val CO . 50156 1
447 . 1 . 1 108 108 VAL CA C 13 61.844 0.022 . 1 . . . . . 106 Val CA . 50156 1
448 . 1 . 1 108 108 VAL CB C 13 30.683 0.002 . 1 . . . . . 106 Val CB . 50156 1
449 . 1 . 1 108 108 VAL N N 15 112.512 0.274 . 1 . . . . . 106 Val N . 50156 1
450 . 1 . 1 109 109 THR H H 1 7.226 0.002 . 1 . . . . . 107 Thr H . 50156 1
451 . 1 . 1 109 109 THR C C 13 172.470 0.000 . 1 . . . . . 107 Thr CO . 50156 1
452 . 1 . 1 109 109 THR CA C 13 60.622 0.008 . 1 . . . . . 107 Thr CA . 50156 1
453 . 1 . 1 109 109 THR CB C 13 71.248 0.005 . 1 . . . . . 107 Thr CB . 50156 1
454 . 1 . 1 109 109 THR N N 15 114.468 0.304 . 1 . . . . . 107 Thr N . 50156 1
455 . 1 . 1 110 110 ASP H H 1 7.602 0.003 . 1 . . . . . 108 Asp H . 50156 1
456 . 1 . 1 110 110 ASP C C 13 177.327 0.000 . 1 . . . . . 108 Asp CO . 50156 1
457 . 1 . 1 110 110 ASP CA C 13 53.122 0.006 . 1 . . . . . 108 Asp CA . 50156 1
458 . 1 . 1 110 110 ASP CB C 13 40.260 0.011 . 1 . . . . . 108 Asp CB . 50156 1
459 . 1 . 1 110 110 ASP N N 15 115.170 0.293 . 1 . . . . . 108 Asp N . 50156 1
460 . 1 . 1 111 111 PHE H H 1 8.488 0.003 . 1 . . . . . 109 Phe H . 50156 1
461 . 1 . 1 111 111 PHE C C 13 176.920 0.000 . 1 . . . . . 109 Phe CO . 50156 1
462 . 1 . 1 111 111 PHE CA C 13 55.809 0.005 . 1 . . . . . 109 Phe CA . 50156 1
463 . 1 . 1 111 111 PHE CB C 13 39.012 0.031 . 1 . . . . . 109 Phe CB . 50156 1
464 . 1 . 1 111 111 PHE N N 15 121.738 0.281 . 1 . . . . . 109 Phe N . 50156 1
465 . 1 . 1 112 112 GLY H H 1 8.332 0.003 . 1 . . . . . 110 Gly H . 50156 1
466 . 1 . 1 112 112 GLY C C 13 174.898 0.000 . 1 . . . . . 110 Gly CO . 50156 1
467 . 1 . 1 112 112 GLY CA C 13 43.861 0.003 . 1 . . . . . 110 Gly CA . 50156 1
468 . 1 . 1 112 112 GLY N N 15 104.607 0.273 . 1 . . . . . 110 Gly N . 50156 1
469 . 1 . 1 113 113 TRP H H 1 9.094 0.001 . 1 . . . . . 111 Trp H . 50156 1
470 . 1 . 1 113 113 TRP C C 13 177.916 0.000 . 1 . . . . . 111 Trp CO . 50156 1
471 . 1 . 1 113 113 TRP CA C 13 60.822 0.011 . 1 . . . . . 111 Trp CA . 50156 1
472 . 1 . 1 113 113 TRP CB C 13 28.444 0.006 . 1 . . . . . 111 Trp CB . 50156 1
473 . 1 . 1 113 113 TRP N N 15 120.991 0.265 . 1 . . . . . 111 Trp N . 50156 1
474 . 1 . 1 114 114 GLU H H 1 7.734 0.004 . 1 . . . . . 112 Glu H . 50156 1
475 . 1 . 1 114 114 GLU C C 13 179.437 0.000 . 1 . . . . . 112 Glu CO . 50156 1
476 . 1 . 1 114 114 GLU CA C 13 60.348 0.015 . 1 . . . . . 112 Glu CA . 50156 1
477 . 1 . 1 114 114 GLU CB C 13 28.165 0.009 . 1 . . . . . 112 Glu CB . 50156 1
478 . 1 . 1 114 114 GLU N N 15 123.295 0.312 . 1 . . . . . 112 Glu N . 50156 1
479 . 1 . 1 115 115 ASP H H 1 8.396 0.005 . 1 . . . . . 113 Asp H . 50156 1
480 . 1 . 1 115 115 ASP C C 13 179.574 0.000 . 1 . . . . . 113 Asp CO . 50156 1
481 . 1 . 1 115 115 ASP CA C 13 56.984 0.013 . 1 . . . . . 113 Asp CA . 50156 1
482 . 1 . 1 115 115 ASP CB C 13 38.920 0.038 . 1 . . . . . 113 Asp CB . 50156 1
483 . 1 . 1 115 115 ASP N N 15 121.223 0.293 . 1 . . . . . 113 Asp N . 50156 1
484 . 1 . 1 116 116 ALA H H 1 8.469 0.002 . 1 . . . . . 114 Ala H . 50156 1
485 . 1 . 1 116 116 ALA C C 13 178.935 0.000 . 1 . . . . . 114 Ala CO . 50156 1
486 . 1 . 1 116 116 ALA CA C 13 55.893 0.007 . 1 . . . . . 114 Ala CA . 50156 1
487 . 1 . 1 116 116 ALA CB C 13 19.941 0.012 . 1 . . . . . 114 Ala CB . 50156 1
488 . 1 . 1 116 116 ALA N N 15 124.330 0.310 . 1 . . . . . 114 Ala N . 50156 1
489 . 1 . 1 117 117 LEU H H 1 8.848 0.003 . 1 . . . . . 115 Leu H . 50156 1
490 . 1 . 1 117 117 LEU CA C 13 58.701 0.010 . 1 . . . . . 115 Leu CA . 50156 1
491 . 1 . 1 117 117 LEU CB C 13 39.784 0.021 . 1 . . . . . 115 Leu CB . 50156 1
492 . 1 . 1 117 117 LEU N N 15 121.817 0.296 . 1 . . . . . 115 Leu N . 50156 1
493 . 1 . 1 118 118 HIS H H 1 8.162 0.003 . 1 . . . . . 116 His H . 50156 1
494 . 1 . 1 118 118 HIS C C 13 178.296 0.000 . 1 . . . . . 116 His CO . 50156 1
495 . 1 . 1 118 118 HIS CA C 13 60.055 0.005 . 1 . . . . . 116 His CA . 50156 1
496 . 1 . 1 118 118 HIS CB C 13 28.948 0.008 . 1 . . . . . 116 His CB . 50156 1
497 . 1 . 1 118 118 HIS N N 15 119.531 0.267 . 1 . . . . . 116 His N . 50156 1
498 . 1 . 1 119 119 THR H H 1 7.887 0.002 . 1 . . . . . 117 Thr H . 50156 1
499 . 1 . 1 119 119 THR C C 13 176.793 0.000 . 1 . . . . . 117 Thr CO . 50156 1
500 . 1 . 1 119 119 THR CA C 13 67.526 0.010 . 1 . . . . . 117 Thr CA . 50156 1
501 . 1 . 1 119 119 THR CB C 13 68.170 0.003 . 1 . . . . . 117 Thr CB . 50156 1
502 . 1 . 1 119 119 THR N N 15 118.048 0.386 . 1 . . . . . 117 Thr N . 50156 1
503 . 1 . 1 120 120 VAL H H 1 8.273 0.003 . 1 . . . . . 118 Val H . 50156 1
504 . 1 . 1 120 120 VAL C C 13 177.836 0.000 . 1 . . . . . 118 Val CO . 50156 1
505 . 1 . 1 120 120 VAL CA C 13 67.274 0.015 . 1 . . . . . 118 Val CA . 50156 1
506 . 1 . 1 120 120 VAL CB C 13 30.593 0.012 . 1 . . . . . 118 Val CB . 50156 1
507 . 1 . 1 120 120 VAL N N 15 122.744 0.271 . 1 . . . . . 118 Val N . 50156 1
508 . 1 . 1 121 121 ARG H H 1 8.877 0.003 . 1 . . . . . 119 Arg H . 50156 1
509 . 1 . 1 121 121 ARG C C 13 177.100 0.000 . 1 . . . . . 119 Arg CO . 50156 1
510 . 1 . 1 121 121 ARG CA C 13 58.025 0.006 . 1 . . . . . 119 Arg CA . 50156 1
511 . 1 . 1 121 121 ARG CB C 13 29.743 0.004 . 1 . . . . . 119 Arg CB . 50156 1
512 . 1 . 1 121 121 ARG N N 15 120.479 0.323 . 1 . . . . . 119 Arg N . 50156 1
513 . 1 . 1 122 122 ALA H H 1 7.553 0.003 . 1 . . . . . 120 Ala H . 50156 1
514 . 1 . 1 122 122 ALA C C 13 178.985 0.000 . 1 . . . . . 120 Ala CO . 50156 1
515 . 1 . 1 122 122 ALA CA C 13 54.390 0.002 . 1 . . . . . 120 Ala CA . 50156 1
516 . 1 . 1 122 122 ALA CB C 13 17.087 0.027 . 1 . . . . . 120 Ala CB . 50156 1
517 . 1 . 1 122 122 ALA N N 15 120.650 0.266 . 1 . . . . . 120 Ala N . 50156 1
518 . 1 . 1 123 123 GLY H H 1 7.338 0.003 . 1 . . . . . 121 Gly H . 50156 1
519 . 1 . 1 123 123 GLY C C 13 172.641 0.000 . 1 . . . . . 121 Gly CO . 50156 1
520 . 1 . 1 123 123 GLY CA C 13 45.711 0.002 . 1 . . . . . 121 Gly CA . 50156 1
521 . 1 . 1 123 123 GLY N N 15 103.233 0.270 . 1 . . . . . 121 Gly N . 50156 1
522 . 1 . 1 124 124 ARG H H 1 8.772 0.004 . 1 . . . . . 122 Arg H . 50156 1
523 . 1 . 1 124 124 ARG C C 13 175.077 0.000 . 1 . . . . . 122 Arg CO . 50156 1
524 . 1 . 1 124 124 ARG CA C 13 54.546 0.007 . 1 . . . . . 122 Arg CA . 50156 1
525 . 1 . 1 124 124 ARG CB C 13 31.098 0.010 . 1 . . . . . 122 Arg CB . 50156 1
526 . 1 . 1 124 124 ARG N N 15 124.847 0.279 . 1 . . . . . 122 Arg N . 50156 1
527 . 1 . 1 125 125 SER H H 1 8.779 0.004 . 1 . . . . . 123 Ser H . 50156 1
528 . 1 . 1 125 125 SER C C 13 175.029 0.000 . 1 . . . . . 123 Ser CO . 50156 1
529 . 1 . 1 125 125 SER CA C 13 61.991 0.014 . 1 . . . . . 123 Ser CA . 50156 1
530 . 1 . 1 125 125 SER CB C 13 62.611 0.005 . 1 . . . . . 123 Ser CB . 50156 1
531 . 1 . 1 125 125 SER N N 15 122.968 0.289 . 1 . . . . . 123 Ser N . 50156 1
532 . 1 . 1 126 126 CYS H H 1 7.724 0.004 . 1 . . . . . 124 Cys H . 50156 1
533 . 1 . 1 126 126 CYS C C 13 174.157 0.000 . 1 . . . . . 124 Cys CO . 50156 1
534 . 1 . 1 126 126 CYS CA C 13 56.892 0.009 . 1 . . . . . 124 Cys CA . 50156 1
535 . 1 . 1 126 126 CYS CB C 13 27.560 0.035 . 1 . . . . . 124 Cys CB . 50156 1
536 . 1 . 1 126 126 CYS N N 15 114.833 0.253 . 1 . . . . . 124 Cys N . 50156 1
537 . 1 . 1 127 127 ALA H H 1 7.800 0.002 . 1 . . . . . 125 Ala H . 50156 1
538 . 1 . 1 127 127 ALA C C 13 177.462 0.000 . 1 . . . . . 125 Ala CO . 50156 1
539 . 1 . 1 127 127 ALA CA C 13 53.751 0.012 . 1 . . . . . 125 Ala CA . 50156 1
540 . 1 . 1 127 127 ALA CB C 13 20.141 0.014 . 1 . . . . . 125 Ala CB . 50156 1
541 . 1 . 1 127 127 ALA N N 15 125.049 0.334 . 1 . . . . . 125 Ala N . 50156 1
542 . 1 . 1 128 128 ASN H H 1 9.329 0.005 . 1 . . . . . 126 Asn H . 50156 1
543 . 1 . 1 128 128 ASN CA C 13 52.834 0.000 . 1 . . . . . 126 Asn CA . 50156 1
544 . 1 . 1 128 128 ASN CB C 13 37.070 0.000 . 1 . . . . . 126 Asn CB . 50156 1
545 . 1 . 1 128 128 ASN N N 15 119.767 0.287 . 1 . . . . . 126 Asn N . 50156 1
546 . 1 . 1 129 129 PRO C C 13 176.819 0.000 . 1 . . . . . 127 Pro CO . 50156 1
547 . 1 . 1 129 129 PRO CA C 13 62.816 0.003 . 1 . . . . . 127 Pro CA . 50156 1
548 . 1 . 1 129 129 PRO CB C 13 31.404 0.008 . 1 . . . . . 127 Pro CB . 50156 1
549 . 1 . 1 130 130 ASN H H 1 7.924 0.003 . 1 . . . . . 128 Asn H . 50156 1
550 . 1 . 1 130 130 ASN C C 13 175.125 0.000 . 1 . . . . . 128 Asn CO . 50156 1
551 . 1 . 1 130 130 ASN CA C 13 53.725 0.005 . 1 . . . . . 128 Asn CA . 50156 1
552 . 1 . 1 130 130 ASN CB C 13 36.726 0.010 . 1 . . . . . 128 Asn CB . 50156 1
553 . 1 . 1 130 130 ASN N N 15 119.786 0.282 . 1 . . . . . 128 Asn N . 50156 1
554 . 1 . 1 131 131 VAL H H 1 8.573 0.003 . 1 . . . . . 129 Val H . 50156 1
555 . 1 . 1 131 131 VAL C C 13 178.362 0.000 . 1 . . . . . 129 Val CO . 50156 1
556 . 1 . 1 131 131 VAL CA C 13 66.317 0.007 . 1 . . . . . 129 Val CA . 50156 1
557 . 1 . 1 131 131 VAL CB C 13 31.149 0.020 . 1 . . . . . 129 Val CB . 50156 1
558 . 1 . 1 131 131 VAL N N 15 115.863 0.291 . 1 . . . . . 129 Val N . 50156 1
559 . 1 . 1 132 132 GLY H H 1 8.521 0.002 . 1 . . . . . 130 Gly H . 50156 1
560 . 1 . 1 132 132 GLY C C 13 177.005 0.000 . 1 . . . . . 130 Gly CO . 50156 1
561 . 1 . 1 132 132 GLY CA C 13 46.904 0.006 . 1 . . . . . 130 Gly CA . 50156 1
562 . 1 . 1 132 132 GLY N N 15 110.993 0.272 . 1 . . . . . 130 Gly N . 50156 1
563 . 1 . 1 133 133 PHE H H 1 7.780 0.003 . 1 . . . . . 131 Phe H . 50156 1
564 . 1 . 1 133 133 PHE C C 13 179.085 0.000 . 1 . . . . . 131 Phe CO . 50156 1
565 . 1 . 1 133 133 PHE CA C 13 56.847 0.006 . 1 . . . . . 131 Phe CA . 50156 1
566 . 1 . 1 133 133 PHE CB C 13 35.540 0.001 . 1 . . . . . 131 Phe CB . 50156 1
567 . 1 . 1 133 133 PHE N N 15 125.373 0.291 . 1 . . . . . 131 Phe N . 50156 1
568 . 1 . 1 134 134 GLN H H 1 8.522 0.003 . 1 . . . . . 132 Gln H . 50156 1
569 . 1 . 1 134 134 GLN C C 13 177.701 0.000 . 1 . . . . . 132 Gln CO . 50156 1
570 . 1 . 1 134 134 GLN CA C 13 60.257 0.015 . 1 . . . . . 132 Gln CA . 50156 1
571 . 1 . 1 134 134 GLN CB C 13 26.845 0.040 . 1 . . . . . 132 Gln CB . 50156 1
572 . 1 . 1 134 134 GLN N N 15 118.748 0.303 . 1 . . . . . 132 Gln N . 50156 1
573 . 1 . 1 135 135 ARG H H 1 7.698 0.003 . 1 . . . . . 133 Arg H . 50156 1
574 . 1 . 1 135 135 ARG CA C 13 59.453 0.000 . 1 . . . . . 133 Arg CA . 50156 1
575 . 1 . 1 135 135 ARG CB C 13 28.765 0.005 . 1 . . . . . 133 Arg CB . 50156 1
576 . 1 . 1 135 135 ARG N N 15 119.527 0.309 . 1 . . . . . 133 Arg N . 50156 1
577 . 1 . 1 136 136 GLN H H 1 8.160 0.004 . 1 . . . . . 134 Gln H . 50156 1
578 . 1 . 1 136 136 GLN C C 13 180.106 0.000 . 1 . . . . . 134 Gln CO . 50156 1
579 . 1 . 1 136 136 GLN CA C 13 59.644 0.014 . 1 . . . . . 134 Gln CA . 50156 1
580 . 1 . 1 136 136 GLN CB C 13 28.434 0.011 . 1 . . . . . 134 Gln CB . 50156 1
581 . 1 . 1 136 136 GLN N N 15 119.234 0.084 . 1 . . . . . 134 Gln N . 50156 1
582 . 1 . 1 137 137 LEU H H 1 8.312 0.003 . 1 . . . . . 135 Leu H . 50156 1
583 . 1 . 1 137 137 LEU C C 13 178.105 0.000 . 1 . . . . . 135 Leu CO . 50156 1
584 . 1 . 1 137 137 LEU CA C 13 58.269 0.015 . 1 . . . . . 135 Leu CA . 50156 1
585 . 1 . 1 137 137 LEU CB C 13 41.177 0.013 . 1 . . . . . 135 Leu CB . 50156 1
586 . 1 . 1 137 137 LEU N N 15 123.179 0.315 . 1 . . . . . 135 Leu N . 50156 1
587 . 1 . 1 138 138 GLN H H 1 7.904 0.002 . 1 . . . . . 136 Gln H . 50156 1
588 . 1 . 1 138 138 GLN C C 13 179.331 0.000 . 1 . . . . . 136 Gln CO . 50156 1
589 . 1 . 1 138 138 GLN CA C 13 59.311 0.022 . 1 . . . . . 136 Gln CA . 50156 1
590 . 1 . 1 138 138 GLN CB C 13 27.726 0.005 . 1 . . . . . 136 Gln CB . 50156 1
591 . 1 . 1 138 138 GLN N N 15 120.945 0.308 . 1 . . . . . 136 Gln N . 50156 1
592 . 1 . 1 139 139 GLU H H 1 8.427 0.004 . 1 . . . . . 137 Glu H . 50156 1
593 . 1 . 1 139 139 GLU C C 13 178.738 0.000 . 1 . . . . . 137 Glu CO . 50156 1
594 . 1 . 1 139 139 GLU CA C 13 59.334 0.003 . 1 . . . . . 137 Glu CA . 50156 1
595 . 1 . 1 139 139 GLU CB C 13 28.917 0.014 . 1 . . . . . 137 Glu CB . 50156 1
596 . 1 . 1 139 139 GLU N N 15 120.425 0.288 . 1 . . . . . 137 Glu N . 50156 1
597 . 1 . 1 140 140 PHE H H 1 8.395 0.002 . 1 . . . . . 138 Phe H . 50156 1
598 . 1 . 1 140 140 PHE C C 13 178.032 0.000 . 1 . . . . . 138 Phe CO . 50156 1
599 . 1 . 1 140 140 PHE CA C 13 60.456 0.011 . 1 . . . . . 138 Phe CA . 50156 1
600 . 1 . 1 140 140 PHE CB C 13 39.608 0.042 . 1 . . . . . 138 Phe CB . 50156 1
601 . 1 . 1 140 140 PHE N N 15 122.439 0.324 . 1 . . . . . 138 Phe N . 50156 1
602 . 1 . 1 141 141 GLU H H 1 8.520 0.002 . 1 . . . . . 139 Glu H . 50156 1
603 . 1 . 1 141 141 GLU C C 13 176.855 0.000 . 1 . . . . . 139 Glu CO . 50156 1
604 . 1 . 1 141 141 GLU CA C 13 59.148 0.013 . 1 . . . . . 139 Glu CA . 50156 1
605 . 1 . 1 141 141 GLU CB C 13 29.967 0.013 . 1 . . . . . 139 Glu CB . 50156 1
606 . 1 . 1 141 141 GLU N N 15 120.773 0.302 . 1 . . . . . 139 Glu N . 50156 1
607 . 1 . 1 142 142 LYS H H 1 7.655 0.002 . 1 . . . . . 140 Lys H . 50156 1
608 . 1 . 1 142 142 LYS C C 13 178.308 0.000 . 1 . . . . . 140 Lys CO . 50156 1
609 . 1 . 1 142 142 LYS CA C 13 58.838 0.020 . 1 . . . . . 140 Lys CA . 50156 1
610 . 1 . 1 142 142 LYS CB C 13 32.781 0.014 . 1 . . . . . 140 Lys CB . 50156 1
611 . 1 . 1 142 142 LYS N N 15 115.574 0.337 . 1 . . . . . 140 Lys N . 50156 1
612 . 1 . 1 143 143 HIS H H 1 8.066 0.003 . 1 . . . . . 141 His H . 50156 1
613 . 1 . 1 143 143 HIS C C 13 176.801 0.000 . 1 . . . . . 141 His CO . 50156 1
614 . 1 . 1 143 143 HIS CA C 13 57.699 0.007 . 1 . . . . . 141 His CA . 50156 1
615 . 1 . 1 143 143 HIS CB C 13 32.504 0.009 . 1 . . . . . 141 His CB . 50156 1
616 . 1 . 1 143 143 HIS N N 15 112.627 0.303 . 1 . . . . . 141 His N . 50156 1
617 . 1 . 1 144 144 GLU H H 1 8.617 0.001 . 1 . . . . . 142 Glu H . 50156 1
618 . 1 . 1 144 144 GLU C C 13 177.969 0.000 . 1 . . . . . 142 Glu CO . 50156 1
619 . 1 . 1 144 144 GLU CA C 13 58.879 0.008 . 1 . . . . . 142 Glu CA . 50156 1
620 . 1 . 1 144 144 GLU CB C 13 32.814 0.022 . 1 . . . . . 142 Glu CB . 50156 1
621 . 1 . 1 144 144 GLU N N 15 118.426 0.285 . 1 . . . . . 142 Glu N . 50156 1
622 . 1 . 1 145 145 VAL H H 1 7.963 0.003 . 1 . . . . . 143 Val H . 50156 1
623 . 1 . 1 145 145 VAL C C 13 175.718 0.000 . 1 . . . . . 143 Val CO . 50156 1
624 . 1 . 1 145 145 VAL CA C 13 65.809 0.005 . 1 . . . . . 143 Val CA . 50156 1
625 . 1 . 1 145 145 VAL CB C 13 29.150 0.007 . 1 . . . . . 143 Val CB . 50156 1
626 . 1 . 1 145 145 VAL N N 15 121.396 0.295 . 1 . . . . . 143 Val N . 50156 1
627 . 1 . 1 146 146 HIS H H 1 7.829 0.002 . 1 . . . . . 144 His H . 50156 1
628 . 1 . 1 146 146 HIS C C 13 178.817 0.000 . 1 . . . . . 144 His CO . 50156 1
629 . 1 . 1 146 146 HIS CA C 13 60.391 0.005 . 1 . . . . . 144 His CA . 50156 1
630 . 1 . 1 146 146 HIS CB C 13 29.208 0.003 . 1 . . . . . 144 His CB . 50156 1
631 . 1 . 1 146 146 HIS N N 15 121.231 0.301 . 1 . . . . . 144 His N . 50156 1
632 . 1 . 1 147 147 GLN H H 1 7.628 0.002 . 1 . . . . . 145 Gln H . 50156 1
633 . 1 . 1 147 147 GLN C C 13 179.613 0.000 . 1 . . . . . 145 Gln CO . 50156 1
634 . 1 . 1 147 147 GLN CA C 13 58.783 0.017 . 1 . . . . . 145 Gln CA . 50156 1
635 . 1 . 1 147 147 GLN CB C 13 27.684 0.034 . 1 . . . . . 145 Gln CB . 50156 1
636 . 1 . 1 147 147 GLN N N 15 120.171 0.299 . 1 . . . . . 145 Gln N . 50156 1
637 . 1 . 1 148 148 TYR H H 1 8.680 0.003 . 1 . . . . . 146 Tyr H . 50156 1
638 . 1 . 1 148 148 TYR C C 13 178.195 0.000 . 1 . . . . . 146 Tyr CO . 50156 1
639 . 1 . 1 148 148 TYR CA C 13 61.591 0.004 . 1 . . . . . 146 Tyr CA . 50156 1
640 . 1 . 1 148 148 TYR CB C 13 36.988 0.009 . 1 . . . . . 146 Tyr CB . 50156 1
641 . 1 . 1 148 148 TYR N N 15 124.172 0.312 . 1 . . . . . 146 Tyr N . 50156 1
642 . 1 . 1 149 149 ARG H H 1 8.989 0.003 . 1 . . . . . 147 Arg H . 50156 1
643 . 1 . 1 149 149 ARG C C 13 179.408 0.000 . 1 . . . . . 147 Arg CO . 50156 1
644 . 1 . 1 149 149 ARG CA C 13 60.309 0.008 . 1 . . . . . 147 Arg CA . 50156 1
645 . 1 . 1 149 149 ARG CB C 13 29.862 0.022 . 1 . . . . . 147 Arg CB . 50156 1
646 . 1 . 1 149 149 ARG N N 15 120.141 0.293 . 1 . . . . . 147 Arg N . 50156 1
647 . 1 . 1 150 150 GLN H H 1 7.515 0.003 . 1 . . . . . 148 Gln H . 50156 1
648 . 1 . 1 150 150 GLN C C 13 177.628 0.000 . 1 . . . . . 148 Gln CO . 50156 1
649 . 1 . 1 150 150 GLN CA C 13 58.888 0.013 . 1 . . . . . 148 Gln CA . 50156 1
650 . 1 . 1 150 150 GLN CB C 13 27.596 0.003 . 1 . . . . . 148 Gln CB . 50156 1
651 . 1 . 1 150 150 GLN N N 15 119.465 0.294 . 1 . . . . . 148 Gln N . 50156 1
652 . 1 . 1 151 151 TRP H H 1 8.337 0.002 . 1 . . . . . 149 Trp H . 50156 1
653 . 1 . 1 151 151 TRP C C 13 176.735 0.000 . 1 . . . . . 149 Trp CO . 50156 1
654 . 1 . 1 151 151 TRP CA C 13 60.343 0.011 . 1 . . . . . 149 Trp CA . 50156 1
655 . 1 . 1 151 151 TRP CB C 13 26.825 0.025 . 1 . . . . . 149 Trp CB . 50156 1
656 . 1 . 1 151 151 TRP N N 15 122.649 0.255 . 1 . . . . . 149 Trp N . 50156 1
657 . 1 . 1 152 152 LEU H H 1 8.341 0.004 . 1 . . . . . 150 Leu H . 50156 1
658 . 1 . 1 152 152 LEU C C 13 180.591 0.000 . 1 . . . . . 150 Leu CO . 50156 1
659 . 1 . 1 152 152 LEU CA C 13 58.095 0.015 . 1 . . . . . 150 Leu CA . 50156 1
660 . 1 . 1 152 152 LEU CB C 13 41.629 0.028 . 1 . . . . . 150 Leu CB . 50156 1
661 . 1 . 1 152 152 LEU N N 15 119.940 0.300 . 1 . . . . . 150 Leu N . 50156 1
662 . 1 . 1 153 153 LYS H H 1 7.489 0.003 . 1 . . . . . 151 Lys H . 50156 1
663 . 1 . 1 153 153 LYS CA C 13 58.676 0.008 . 1 . . . . . 151 Lys CA . 50156 1
664 . 1 . 1 153 153 LYS CB C 13 31.619 0.007 . 1 . . . . . 151 Lys CB . 50156 1
665 . 1 . 1 153 153 LYS N N 15 118.682 0.313 . 1 . . . . . 151 Lys N . 50156 1
666 . 1 . 1 154 154 GLU H H 1 8.159 0.003 . 1 . . . . . 152 Glu H . 50156 1
667 . 1 . 1 154 154 GLU C C 13 178.635 0.000 . 1 . . . . . 152 Glu CO . 50156 1
668 . 1 . 1 154 154 GLU CA C 13 58.978 0.011 . 1 . . . . . 152 Glu CA . 50156 1
669 . 1 . 1 154 154 GLU CB C 13 28.975 0.002 . 1 . . . . . 152 Glu CB . 50156 1
670 . 1 . 1 154 154 GLU N N 15 120.111 0.397 . 1 . . . . . 152 Glu N . 50156 1
671 . 1 . 1 155 155 GLU H H 1 8.358 0.002 . 1 . . . . . 153 Glu H . 50156 1
672 . 1 . 1 155 155 GLU C C 13 177.875 0.000 . 1 . . . . . 153 Glu CO . 50156 1
673 . 1 . 1 155 155 GLU CA C 13 58.145 0.012 . 1 . . . . . 153 Glu CA . 50156 1
674 . 1 . 1 155 155 GLU CB C 13 29.544 0.009 . 1 . . . . . 153 Glu CB . 50156 1
675 . 1 . 1 155 155 GLU N N 15 117.679 0.221 . 1 . . . . . 153 Glu N . 50156 1
676 . 1 . 1 156 156 TYR H H 1 7.628 0.003 . 1 . . . . . 154 Tyr H . 50156 1
677 . 1 . 1 156 156 TYR C C 13 175.933 0.000 . 1 . . . . . 154 Tyr CO . 50156 1
678 . 1 . 1 156 156 TYR CA C 13 58.322 0.016 . 1 . . . . . 154 Tyr CA . 50156 1
679 . 1 . 1 156 156 TYR CB C 13 39.002 0.002 . 1 . . . . . 154 Tyr CB . 50156 1
680 . 1 . 1 156 156 TYR N N 15 113.909 0.275 . 1 . . . . . 154 Tyr N . 50156 1
681 . 1 . 1 157 157 GLY H H 1 7.677 0.003 . 1 . . . . . 155 Gly H . 50156 1
682 . 1 . 1 157 157 GLY CA C 13 46.459 0.000 . 1 . . . . . 155 Gly CA . 50156 1
683 . 1 . 1 157 157 GLY N N 15 116.255 0.299 . 1 . . . . . 155 Gly N . 50156 1
stop_
save_