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 51885
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Backbone resonance assignments of Q9PR55'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 51885 1
2 '3D CBCACONH' . . . 51885 1
3 '3D HNCACB' . . . 51885 1
4 '3D HNCACO' . . . 51885 1
5 '3D HNCO' . . . 51885 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 . . 51885 1
2 $software_2 . . 51885 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 ASN H H 1 8.204 0.010 . 1 . . . . . 3 N H . 51885 1
2 . 1 . 1 3 3 ASN C C 13 174.636 0.015 . 1 . . . . . 3 N C . 51885 1
3 . 1 . 1 3 3 ASN CA C 13 52.728 0.009 . 1 . . . . . 3 N CA . 51885 1
4 . 1 . 1 3 3 ASN CB C 13 38.718 0.011 . 1 . . . . . 3 N CB . 51885 1
5 . 1 . 1 3 3 ASN N N 15 121.013 0.021 . 1 . . . . . 3 N N . 51885 1
6 . 1 . 1 4 4 TYR H H 1 7.986 0.004 . 1 . . . . . 4 Y H . 51885 1
7 . 1 . 1 4 4 TYR C C 13 175.553 0.025 . 1 . . . . . 4 Y C . 51885 1
8 . 1 . 1 4 4 TYR CA C 13 58.612 0.032 . 1 . . . . . 4 Y CA . 51885 1
9 . 1 . 1 4 4 TYR CB C 13 38.504 0.006 . 1 . . . . . 4 Y CB . 51885 1
10 . 1 . 1 4 4 TYR N N 15 121.185 0.023 . 1 . . . . . 4 Y N . 51885 1
11 . 1 . 1 5 5 LYS H H 1 7.973 0.005 . 1 . . . . . 5 K H . 51885 1
12 . 1 . 1 5 5 LYS C C 13 176.022 0.019 . 1 . . . . . 5 K C . 51885 1
13 . 1 . 1 5 5 LYS CA C 13 56.376 0.030 . 1 . . . . . 5 K CA . 51885 1
14 . 1 . 1 5 5 LYS CB C 13 33.025 0.004 . 1 . . . . . 5 K CB . 51885 1
15 . 1 . 1 5 5 LYS N N 15 122.319 0.018 . 1 . . . . . 5 K N . 51885 1
16 . 1 . 1 6 6 GLU H H 1 8.075 0.005 . 1 . . . . . 6 E H . 51885 1
17 . 1 . 1 6 6 GLU C C 13 176.285 0.021 . 1 . . . . . 6 E C . 51885 1
18 . 1 . 1 6 6 GLU CA C 13 56.470 0.044 . 1 . . . . . 6 E CA . 51885 1
19 . 1 . 1 6 6 GLU CB C 13 30.243 0.005 . 1 . . . . . 6 E CB . 51885 1
20 . 1 . 1 6 6 GLU N N 15 121.535 0.030 . 1 . . . . . 6 E N . 51885 1
21 . 1 . 1 7 7 VAL H H 1 8.078 0.002 . 1 . . . . . 7 V H . 51885 1
22 . 1 . 1 7 7 VAL C C 13 175.985 0.031 . 1 . . . . . 7 V C . 51885 1
23 . 1 . 1 7 7 VAL CA C 13 62.487 0.064 . 1 . . . . . 7 V CA . 51885 1
24 . 1 . 1 7 7 VAL CB C 13 32.661 0.010 . 1 . . . . . 7 V CB . 51885 1
25 . 1 . 1 7 7 VAL N N 15 121.999 0.042 . 1 . . . . . 7 V N . 51885 1
26 . 1 . 1 8 8 LYS H H 1 8.294 0.003 . 1 . . . . . 8 K H . 51885 1
27 . 1 . 1 8 8 LYS C C 13 176.115 0.008 . 1 . . . . . 8 K C . 51885 1
28 . 1 . 1 8 8 LYS CA C 13 56.203 0.056 . 1 . . . . . 8 K CA . 51885 1
29 . 1 . 1 8 8 LYS CB C 13 32.924 0.010 . 1 . . . . . 8 K CB . 51885 1
30 . 1 . 1 8 8 LYS N N 15 124.628 0.009 . 1 . . . . . 8 K N . 51885 1
31 . 1 . 1 9 9 HIS H H 1 8.410 0.004 . 1 . . . . . 9 H H . 51885 1
32 . 1 . 1 9 9 HIS C C 13 174.515 0.039 . 1 . . . . . 9 H C . 51885 1
33 . 1 . 1 9 9 HIS CA C 13 55.827 0.026 . 1 . . . . . 9 H CA . 51885 1
34 . 1 . 1 9 9 HIS CB C 13 29.653 0.014 . 1 . . . . . 9 H CB . 51885 1
35 . 1 . 1 9 9 HIS N N 15 120.436 0.014 . 1 . . . . . 9 H N . 51885 1
36 . 1 . 1 10 10 MET H H 1 8.327 0.040 . 1 . . . . . 10 M H . 51885 1
37 . 1 . 1 10 10 MET C C 13 176.015 0.083 . 1 . . . . . 10 M C . 51885 1
38 . 1 . 1 10 10 MET CA C 13 55.487 0.008 . 1 . . . . . 10 M CA . 51885 1
39 . 1 . 1 10 10 MET CB C 13 33.065 0.012 . 1 . . . . . 10 M CB . 51885 1
40 . 1 . 1 10 10 MET N N 15 122.392 0.012 . 1 . . . . . 10 M N . 51885 1
41 . 1 . 1 11 11 GLY H H 1 8.278 0.007 . 1 . . . . . 11 G H . 51885 1
42 . 1 . 1 11 11 GLY C C 13 173.907 0.009 . 1 . . . . . 11 G C . 51885 1
43 . 1 . 1 11 11 GLY CA C 13 44.810 0.014 . 1 . . . . . 11 G CA . 51885 1
44 . 1 . 1 11 11 GLY N N 15 109.999 0.052 . 1 . . . . . 11 G N . 51885 1
45 . 1 . 1 12 12 TYR H H 1 8.256 0.009 . 1 . . . . . 12 Y H . 51885 1
46 . 1 . 1 12 12 TYR C C 13 176.210 0.059 . 1 . . . . . 12 Y C . 51885 1
47 . 1 . 1 12 12 TYR CA C 13 57.810 0.018 . 1 . . . . . 12 Y CA . 51885 1
48 . 1 . 1 12 12 TYR CB C 13 38.781 0.011 . 1 . . . . . 12 Y CB . 51885 1
49 . 1 . 1 12 12 TYR N N 15 119.906 0.031 . 1 . . . . . 12 Y N . 51885 1
50 . 1 . 1 13 13 GLY H H 1 8.151 0.004 . 1 . . . . . 13 G H . 51885 1
51 . 1 . 1 13 13 GLY C C 13 174.392 0.046 . 1 . . . . . 13 G C . 51885 1
52 . 1 . 1 13 13 GLY CA C 13 44.644 0.007 . 1 . . . . . 13 G CA . 51885 1
53 . 1 . 1 13 13 GLY N N 15 107.423 0.055 . 1 . . . . . 13 G N . 51885 1
54 . 1 . 1 14 14 LYS H H 1 8.889 0.007 . 1 . . . . . 14 K H . 51885 1
55 . 1 . 1 14 14 LYS C C 13 179.261 0.003 . 1 . . . . . 14 K C . 51885 1
56 . 1 . 1 14 14 LYS CA C 13 59.784 0.023 . 1 . . . . . 14 K CA . 51885 1
57 . 1 . 1 14 14 LYS CB C 13 32.420 0.019 . 1 . . . . . 14 K CB . 51885 1
58 . 1 . 1 14 14 LYS N N 15 120.392 0.013 . 1 . . . . . 14 K N . 51885 1
59 . 1 . 1 15 15 GLY H H 1 9.067 0.004 . 1 . . . . . 15 G H . 51885 1
60 . 1 . 1 15 15 GLY C C 13 175.127 0.004 . 1 . . . . . 15 G C . 51885 1
61 . 1 . 1 15 15 GLY CA C 13 46.193 0.025 . 1 . . . . . 15 G CA . 51885 1
62 . 1 . 1 15 15 GLY N N 15 109.175 0.015 . 1 . . . . . 15 G N . 51885 1
63 . 1 . 1 16 16 TYR H H 1 7.763 0.003 . 1 . . . . . 16 Y H . 51885 1
64 . 1 . 1 16 16 TYR C C 13 176.996 0.004 . 1 . . . . . 16 Y C . 51885 1
65 . 1 . 1 16 16 TYR CA C 13 61.436 0.024 . 1 . . . . . 16 Y CA . 51885 1
66 . 1 . 1 16 16 TYR CB C 13 40.080 0.006 . 1 . . . . . 16 Y CB . 51885 1
67 . 1 . 1 16 16 TYR N N 15 122.919 0.041 . 1 . . . . . 16 Y N . 51885 1
68 . 1 . 1 17 17 LEU H H 1 7.430 0.007 . 1 . . . . . 17 L H . 51885 1
69 . 1 . 1 17 17 LEU C C 13 177.485 0.021 . 1 . . . . . 17 L C . 51885 1
70 . 1 . 1 17 17 LEU CA C 13 56.101 0.026 . 1 . . . . . 17 L CA . 51885 1
71 . 1 . 1 17 17 LEU CB C 13 40.061 0.009 . 1 . . . . . 17 L CB . 51885 1
72 . 1 . 1 17 17 LEU N N 15 111.323 0.080 . 1 . . . . . 17 L N . 51885 1
73 . 1 . 1 18 18 ALA H H 1 7.390 0.004 . 1 . . . . . 18 A H . 51885 1
74 . 1 . 1 18 18 ALA C C 13 179.573 0.013 . 1 . . . . . 18 A C . 51885 1
75 . 1 . 1 18 18 ALA CA C 13 54.706 0.028 . 1 . . . . . 18 A CA . 51885 1
76 . 1 . 1 18 18 ALA CB C 13 18.059 0.005 . 1 . . . . . 18 A CB . 51885 1
77 . 1 . 1 18 18 ALA N N 15 121.010 0.018 . 1 . . . . . 18 A N . 51885 1
78 . 1 . 1 19 19 MET H H 1 7.147 0.001 . 1 . . . . . 19 M H . 51885 1
79 . 1 . 1 19 19 MET C C 13 176.294 0.020 . 1 . . . . . 19 M C . 51885 1
80 . 1 . 1 19 19 MET CA C 13 56.818 0.056 . 1 . . . . . 19 M CA . 51885 1
81 . 1 . 1 19 19 MET CB C 13 31.654 0.003 . 1 . . . . . 19 M CB . 51885 1
82 . 1 . 1 19 19 MET N N 15 113.024 0.059 . 1 . . . . . 19 M N . 51885 1
83 . 1 . 1 20 20 PHE H H 1 7.291 0.002 . 1 . . . . . 20 F H . 51885 1
84 . 1 . 1 20 20 PHE C C 13 172.690 0.015 . 1 . . . . . 20 F C . 51885 1
85 . 1 . 1 20 20 PHE CA C 13 57.002 0.010 . 1 . . . . . 20 F CA . 51885 1
86 . 1 . 1 20 20 PHE CB C 13 37.770 0.003 . 1 . . . . . 20 F CB . 51885 1
87 . 1 . 1 20 20 PHE N N 15 117.087 0.026 . 1 . . . . . 20 F N . 51885 1
88 . 1 . 1 21 21 LYS H H 1 6.692 0.002 . 1 . . . . . 21 K H . 51885 1
89 . 1 . 1 21 21 LYS C C 13 177.797 0.014 . 1 . . . . . 21 K C . 51885 1
90 . 1 . 1 21 21 LYS CA C 13 58.058 0.011 . 1 . . . . . 21 K CA . 51885 1
91 . 1 . 1 21 21 LYS CB C 13 32.386 0.002 . 1 . . . . . 21 K CB . 51885 1
92 . 1 . 1 21 21 LYS N N 15 119.448 0.023 . 1 . . . . . 21 K N . 51885 1
93 . 1 . 1 22 22 ASN H H 1 9.431 0.001 . 1 . . . . . 22 N H . 51885 1
94 . 1 . 1 22 22 ASN C C 13 174.010 0.007 . 1 . . . . . 22 N C . 51885 1
95 . 1 . 1 22 22 ASN CA C 13 55.454 0.009 . 1 . . . . . 22 N CA . 51885 1
96 . 1 . 1 22 22 ASN CB C 13 37.741 0.002 . 1 . . . . . 22 N CB . 51885 1
97 . 1 . 1 22 22 ASN N N 15 117.667 0.008 . 1 . . . . . 22 N N . 51885 1
98 . 1 . 1 23 23 LYS H H 1 8.498 0.002 . 1 . . . . . 23 K H . 51885 1
99 . 1 . 1 23 23 LYS C C 13 173.970 0.039 . 1 . . . . . 23 K C . 51885 1
100 . 1 . 1 23 23 LYS CA C 13 54.834 0.005 . 1 . . . . . 23 K CA . 51885 1
101 . 1 . 1 23 23 LYS CB C 13 35.799 0.007 . 1 . . . . . 23 K CB . 51885 1
102 . 1 . 1 23 23 LYS N N 15 118.816 0.026 . 1 . . . . . 23 K N . 51885 1
103 . 1 . 1 24 24 LYS H H 1 8.321 0.000 . 1 . . . . . 24 K H . 51885 1
104 . 1 . 1 24 24 LYS C C 13 175.540 0.058 . 1 . . . . . 24 K C . 51885 1
105 . 1 . 1 24 24 LYS CA C 13 54.642 0.019 . 1 . . . . . 24 K CA . 51885 1
106 . 1 . 1 24 24 LYS CB C 13 35.086 0.008 . 1 . . . . . 24 K CB . 51885 1
107 . 1 . 1 24 24 LYS N N 15 121.648 0.030 . 1 . . . . . 24 K N . 51885 1
108 . 1 . 1 25 25 VAL H H 1 8.602 0.001 . 1 . . . . . 25 V H . 51885 1
109 . 1 . 1 25 25 VAL C C 13 172.802 0.017 . 1 . . . . . 25 V C . 51885 1
110 . 1 . 1 25 25 VAL CA C 13 59.029 0.045 . 1 . . . . . 25 V CA . 51885 1
111 . 1 . 1 25 25 VAL CB C 13 34.919 0.001 . 1 . . . . . 25 V CB . 51885 1
112 . 1 . 1 25 25 VAL N N 15 118.835 0.064 . 1 . . . . . 25 V N . 51885 1
113 . 1 . 1 26 26 ARG H H 1 8.592 0.003 . 1 . . . . . 26 R H . 51885 1
114 . 1 . 1 26 26 ARG C C 13 175.400 0.004 . 1 . . . . . 26 R C . 51885 1
115 . 1 . 1 26 26 ARG CA C 13 54.376 0.028 . 1 . . . . . 26 R CA . 51885 1
116 . 1 . 1 26 26 ARG CB C 13 32.093 0.004 . 1 . . . . . 26 R CB . 51885 1
117 . 1 . 1 26 26 ARG N N 15 121.904 0.064 . 1 . . . . . 26 R N . 51885 1
118 . 1 . 1 27 27 PHE H H 1 9.510 0.002 . 1 . . . . . 27 F H . 51885 1
119 . 1 . 1 27 27 PHE C C 13 174.205 0.057 . 1 . . . . . 27 F C . 51885 1
120 . 1 . 1 27 27 PHE CA C 13 52.029 0.014 . 1 . . . . . 27 F CA . 51885 1
121 . 1 . 1 27 27 PHE CB C 13 39.816 0.005 . 1 . . . . . 27 F CB . 51885 1
122 . 1 . 1 27 27 PHE N N 15 126.548 0.040 . 1 . . . . . 27 F N . 51885 1
123 . 1 . 1 28 28 LYS H H 1 8.599 0.003 . 1 . . . . . 28 K H . 51885 1
124 . 1 . 1 28 28 LYS C C 13 175.594 0.039 . 1 . . . . . 28 K C . 51885 1
125 . 1 . 1 28 28 LYS CA C 13 53.379 0.009 . 1 . . . . . 28 K CA . 51885 1
126 . 1 . 1 28 28 LYS CB C 13 34.568 0.002 . 1 . . . . . 28 K CB . 51885 1
127 . 1 . 1 28 28 LYS N N 15 125.693 0.041 . 1 . . . . . 28 K N . 51885 1
128 . 1 . 1 29 29 VAL H H 1 9.404 0.004 . 1 . . . . . 29 V H . 51885 1
129 . 1 . 1 29 29 VAL C C 13 177.117 0.022 . 1 . . . . . 29 V C . 51885 1
130 . 1 . 1 29 29 VAL CA C 13 63.881 0.021 . 1 . . . . . 29 V CA . 51885 1
131 . 1 . 1 29 29 VAL CB C 13 30.892 0.004 . 1 . . . . . 29 V CB . 51885 1
132 . 1 . 1 29 29 VAL N N 15 130.986 0.030 . 1 . . . . . 29 V N . 51885 1
133 . 1 . 1 30 30 VAL H H 1 9.136 0.002 . 1 . . . . . 30 V H . 51885 1
134 . 1 . 1 30 30 VAL C C 13 175.154 0.033 . 1 . . . . . 30 V C . 51885 1
135 . 1 . 1 30 30 VAL CA C 13 59.213 0.009 . 1 . . . . . 30 V CA . 51885 1
136 . 1 . 1 30 30 VAL CB C 13 35.920 0.004 . 1 . . . . . 30 V CB . 51885 1
137 . 1 . 1 30 30 VAL N N 15 121.738 0.035 . 1 . . . . . 30 V N . 51885 1
138 . 1 . 1 31 31 ASN H H 1 8.679 0.003 . 1 . . . . . 31 N H . 51885 1
139 . 1 . 1 31 31 ASN C C 13 174.476 0.049 . 1 . . . . . 31 N C . 51885 1
140 . 1 . 1 31 31 ASN CA C 13 52.837 0.013 . 1 . . . . . 31 N CA . 51885 1
141 . 1 . 1 31 31 ASN CB C 13 39.871 0.008 . 1 . . . . . 31 N CB . 51885 1
142 . 1 . 1 31 31 ASN N N 15 116.223 0.025 . 1 . . . . . 31 N N . 51885 1
143 . 1 . 1 32 32 SER H H 1 7.271 0.000 . 1 . . . . . 32 S H . 51885 1
144 . 1 . 1 32 32 SER C C 13 170.973 0.000 . 1 . . . . . 32 S C . 51885 1
145 . 1 . 1 32 32 SER CA C 13 56.705 0.000 . 1 . . . . . 32 S CA . 51885 1
146 . 1 . 1 32 32 SER CB C 13 64.613 0.001 . 1 . . . . . 32 S CB . 51885 1
147 . 1 . 1 32 32 SER N N 15 110.002 0.043 . 1 . . . . . 32 S N . 51885 1
148 . 1 . 1 34 34 PRO C C 13 176.201 0.004 . 1 . . . . . 34 P C . 51885 1
149 . 1 . 1 34 34 PRO CA C 13 62.929 0.016 . 1 . . . . . 34 P CA . 51885 1
150 . 1 . 1 34 34 PRO CB C 13 31.856 0.035 . 1 . . . . . 34 P CB . 51885 1
151 . 1 . 1 35 35 ASP H H 1 8.333 0.002 . 1 . . . . . 35 D H . 51885 1
152 . 1 . 1 35 35 ASP C C 13 176.428 0.028 . 1 . . . . . 35 D C . 51885 1
153 . 1 . 1 35 35 ASP CA C 13 57.261 0.002 . 1 . . . . . 35 D CA . 51885 1
154 . 1 . 1 35 35 ASP CB C 13 41.338 0.004 . 1 . . . . . 35 D CB . 51885 1
155 . 1 . 1 35 35 ASP N N 15 119.184 0.037 . 1 . . . . . 35 D N . 51885 1
156 . 1 . 1 36 36 LEU H H 1 7.406 0.013 . 1 . . . . . 36 L H . 51885 1
157 . 1 . 1 36 36 LEU C C 13 175.091 0.025 . 1 . . . . . 36 L C . 51885 1
158 . 1 . 1 36 36 LEU CA C 13 53.745 0.019 . 1 . . . . . 36 L CA . 51885 1
159 . 1 . 1 36 36 LEU CB C 13 48.547 0.003 . 1 . . . . . 36 L CB . 51885 1
160 . 1 . 1 36 36 LEU N N 15 114.965 0.059 . 1 . . . . . 36 L N . 51885 1
161 . 1 . 1 37 37 LYS H H 1 9.824 0.003 . 1 . . . . . 37 K H . 51885 1
162 . 1 . 1 37 37 LYS C C 13 176.675 0.015 . 1 . . . . . 37 K C . 51885 1
163 . 1 . 1 37 37 LYS CA C 13 55.734 0.019 . 1 . . . . . 37 K CA . 51885 1
164 . 1 . 1 37 37 LYS CB C 13 32.297 0.005 . 1 . . . . . 37 K CB . 51885 1
165 . 1 . 1 37 37 LYS N N 15 123.501 0.020 . 1 . . . . . 37 K N . 51885 1
166 . 1 . 1 38 38 VAL H H 1 9.155 0.000 . 1 . . . . . 38 V H . 51885 1
167 . 1 . 1 38 38 VAL C C 13 172.861 0.015 . 1 . . . . . 38 V C . 51885 1
168 . 1 . 1 38 38 VAL CA C 13 59.781 0.019 . 1 . . . . . 38 V CA . 51885 1
169 . 1 . 1 38 38 VAL CB C 13 35.395 0.002 . 1 . . . . . 38 V CB . 51885 1
170 . 1 . 1 38 38 VAL N N 15 124.903 0.021 . 1 . . . . . 38 V N . 51885 1
171 . 1 . 1 39 39 GLN H H 1 7.974 0.007 . 1 . . . . . 39 Q H . 51885 1
172 . 1 . 1 39 39 GLN C C 13 175.419 0.016 . 1 . . . . . 39 Q C . 51885 1
173 . 1 . 1 39 39 GLN CA C 13 53.492 0.073 . 1 . . . . . 39 Q CA . 51885 1
174 . 1 . 1 39 39 GLN CB C 13 32.707 0.005 . 1 . . . . . 39 Q CB . 51885 1
175 . 1 . 1 39 39 GLN N N 15 125.162 0.019 . 1 . . . . . 39 Q N . 51885 1
176 . 1 . 1 40 40 PHE H H 1 9.096 0.004 . 1 . . . . . 40 F H . 51885 1
177 . 1 . 1 40 40 PHE C C 13 176.480 0.070 . 1 . . . . . 40 F C . 51885 1
178 . 1 . 1 40 40 PHE CA C 13 57.849 0.015 . 1 . . . . . 40 F CA . 51885 1
179 . 1 . 1 40 40 PHE CB C 13 38.942 0.006 . 1 . . . . . 40 F CB . 51885 1
180 . 1 . 1 40 40 PHE N N 15 127.337 0.043 . 1 . . . . . 40 F N . 51885 1
181 . 1 . 1 41 41 VAL H H 1 8.902 0.010 . 1 . . . . . 41 V H . 51885 1
182 . 1 . 1 41 41 VAL C C 13 176.527 0.020 . 1 . . . . . 41 V C . 51885 1
183 . 1 . 1 41 41 VAL CA C 13 59.072 0.012 . 1 . . . . . 41 V CA . 51885 1
184 . 1 . 1 41 41 VAL CB C 13 35.773 0.003 . 1 . . . . . 41 V CB . 51885 1
185 . 1 . 1 41 41 VAL N N 15 116.178 0.024 . 1 . . . . . 41 V N . 51885 1
186 . 1 . 1 42 42 THR H H 1 8.802 0.001 . 1 . . . . . 42 T H . 51885 1
187 . 1 . 1 42 42 THR C C 13 173.507 0.000 . 1 . . . . . 42 T C . 51885 1
188 . 1 . 1 42 42 THR CA C 13 61.220 0.000 . 1 . . . . . 42 T CA . 51885 1
189 . 1 . 1 42 42 THR CB C 13 69.289 0.009 . 1 . . . . . 42 T CB . 51885 1
190 . 1 . 1 42 42 THR N N 15 108.794 0.028 . 1 . . . . . 42 T N . 51885 1
191 . 1 . 1 43 43 SER H H 1 7.220 0.000 . 1 . . . . . 43 S H . 51885 1
192 . 1 . 1 43 43 SER C C 13 171.058 0.003 . 1 . . . . . 43 S C . 51885 1
193 . 1 . 1 43 43 SER N N 15 112.355 0.014 . 1 . . . . . 43 S N . 51885 1
194 . 1 . 1 45 45 PRO CA C 13 62.948 0.008 . 1 . . . . . 45 P CA . 51885 1
195 . 1 . 1 45 45 PRO CB C 13 32.526 0.000 . 1 . . . . . 45 P CB . 51885 1
196 . 1 . 1 46 46 ASP H H 1 8.780 0.013 . 1 . . . . . 46 D H . 51885 1
197 . 1 . 1 46 46 ASP C C 13 175.719 0.070 . 1 . . . . . 46 D C . 51885 1
198 . 1 . 1 46 46 ASP CA C 13 57.653 0.008 . 1 . . . . . 46 D CA . 51885 1
199 . 1 . 1 46 46 ASP CB C 13 42.988 0.006 . 1 . . . . . 46 D CB . 51885 1
200 . 1 . 1 46 46 ASP N N 15 117.826 0.084 . 1 . . . . . 46 D N . 51885 1
201 . 1 . 1 47 47 TYR H H 1 7.368 0.002 . 1 . . . . . 47 Y H . 51885 1
202 . 1 . 1 47 47 TYR C C 13 174.135 0.004 . 1 . . . . . 47 Y C . 51885 1
203 . 1 . 1 47 47 TYR CA C 13 56.399 0.036 . 1 . . . . . 47 Y CA . 51885 1
204 . 1 . 1 47 47 TYR CB C 13 43.547 0.004 . 1 . . . . . 47 Y CB . 51885 1
205 . 1 . 1 47 47 TYR N N 15 109.819 0.038 . 1 . . . . . 47 Y N . 51885 1
206 . 1 . 1 48 48 LYS H H 1 9.831 0.004 . 1 . . . . . 48 K H . 51885 1
207 . 1 . 1 48 48 LYS C C 13 175.475 0.072 . 1 . . . . . 48 K C . 51885 1
208 . 1 . 1 48 48 LYS CA C 13 55.393 0.024 . 1 . . . . . 48 K CA . 51885 1
209 . 1 . 1 48 48 LYS CB C 13 33.850 0.007 . 1 . . . . . 48 K CB . 51885 1
210 . 1 . 1 48 48 LYS N N 15 123.556 0.086 . 1 . . . . . 48 K N . 51885 1
211 . 1 . 1 49 49 VAL H H 1 9.255 0.002 . 1 . . . . . 49 V H . 51885 1
212 . 1 . 1 49 49 VAL C C 13 172.557 0.033 . 1 . . . . . 49 V C . 51885 1
213 . 1 . 1 49 49 VAL CA C 13 57.669 0.020 . 1 . . . . . 49 V CA . 51885 1
214 . 1 . 1 49 49 VAL CB C 13 35.264 0.001 . 1 . . . . . 49 V CB . 51885 1
215 . 1 . 1 49 49 VAL N N 15 123.291 0.030 . 1 . . . . . 49 V N . 51885 1
216 . 1 . 1 50 50 LYS H H 1 8.288 0.005 . 1 . . . . . 50 K H . 51885 1
217 . 1 . 1 50 50 LYS C C 13 175.317 0.005 . 1 . . . . . 50 K C . 51885 1
218 . 1 . 1 50 50 LYS CA C 13 54.355 0.038 . 1 . . . . . 50 K CA . 51885 1
219 . 1 . 1 50 50 LYS CB C 13 34.148 0.003 . 1 . . . . . 50 K CB . 51885 1
220 . 1 . 1 50 50 LYS N N 15 130.303 0.030 . 1 . . . . . 50 K N . 51885 1
221 . 1 . 1 51 51 ILE H H 1 8.441 0.005 . 1 . . . . . 51 I H . 51885 1
222 . 1 . 1 51 51 ILE C C 13 176.391 0.039 . 1 . . . . . 51 I C . 51885 1
223 . 1 . 1 51 51 ILE CA C 13 58.669 0.021 . 1 . . . . . 51 I CA . 51885 1
224 . 1 . 1 51 51 ILE CB C 13 35.611 0.010 . 1 . . . . . 51 I CB . 51885 1
225 . 1 . 1 51 51 ILE N N 15 128.231 0.032 . 1 . . . . . 51 I N . 51885 1
226 . 1 . 1 52 52 SER H H 1 8.851 0.004 . 1 . . . . . 52 S H . 51885 1
227 . 1 . 1 52 52 SER C C 13 174.528 0.032 . 1 . . . . . 52 S C . 51885 1
228 . 1 . 1 52 52 SER CA C 13 56.257 0.017 . 1 . . . . . 52 S CA . 51885 1
229 . 1 . 1 52 52 SER CB C 13 65.701 0.004 . 1 . . . . . 52 S CB . 51885 1
230 . 1 . 1 52 52 SER N N 15 122.745 0.018 . 1 . . . . . 52 S N . 51885 1
231 . 1 . 1 53 53 ASN H H 1 8.708 0.008 . 1 . . . . . 53 N H . 51885 1
232 . 1 . 1 53 53 ASN C C 13 174.673 0.034 . 1 . . . . . 53 N C . 51885 1
233 . 1 . 1 53 53 ASN CA C 13 53.085 0.005 . 1 . . . . . 53 N CA . 51885 1
234 . 1 . 1 53 53 ASN CB C 13 38.682 0.008 . 1 . . . . . 53 N CB . 51885 1
235 . 1 . 1 53 53 ASN N N 15 123.497 0.042 . 1 . . . . . 53 N N . 51885 1
236 . 1 . 1 54 54 SER H H 1 8.344 0.007 . 1 . . . . . 54 S H . 51885 1
237 . 1 . 1 54 54 SER C C 13 174.477 0.030 . 1 . . . . . 54 S C . 51885 1
238 . 1 . 1 54 54 SER CA C 13 55.494 0.015 . 1 . . . . . 54 S CA . 51885 1
239 . 1 . 1 54 54 SER CB C 13 64.796 0.006 . 1 . . . . . 54 S CB . 51885 1
240 . 1 . 1 54 54 SER N N 15 114.097 0.016 . 1 . . . . . 54 S N . 51885 1
241 . 1 . 1 55 55 SER H H 1 8.445 0.025 . 1 . . . . . 55 S H . 51885 1
242 . 1 . 1 55 55 SER C C 13 174.380 0.017 . 1 . . . . . 55 S C . 51885 1
243 . 1 . 1 55 55 SER CA C 13 57.696 0.009 . 1 . . . . . 55 S CA . 51885 1
244 . 1 . 1 55 55 SER CB C 13 62.946 0.007 . 1 . . . . . 55 S CB . 51885 1
245 . 1 . 1 55 55 SER N N 15 121.850 0.014 . 1 . . . . . 55 S N . 51885 1
246 . 1 . 1 56 56 SER H H 1 7.542 0.003 . 1 . . . . . 56 S H . 51885 1
247 . 1 . 1 56 56 SER C C 13 173.724 0.026 . 1 . . . . . 56 S C . 51885 1
248 . 1 . 1 56 56 SER CA C 13 58.926 0.016 . 1 . . . . . 56 S CA . 51885 1
249 . 1 . 1 56 56 SER CB C 13 63.193 0.002 . 1 . . . . . 56 S CB . 51885 1
250 . 1 . 1 56 56 SER N N 15 118.598 0.020 . 1 . . . . . 56 S N . 51885 1
251 . 1 . 1 57 57 PHE H H 1 8.611 0.003 . 1 . . . . . 57 F H . 51885 1
252 . 1 . 1 57 57 PHE C C 13 175.420 0.041 . 1 . . . . . 57 F C . 51885 1
253 . 1 . 1 57 57 PHE CA C 13 58.571 0.013 . 1 . . . . . 57 F CA . 51885 1
254 . 1 . 1 57 57 PHE CB C 13 35.784 0.014 . 1 . . . . . 57 F CB . 51885 1
255 . 1 . 1 57 57 PHE N N 15 115.563 0.036 . 1 . . . . . 57 F N . 51885 1
256 . 1 . 1 58 58 CYS H H 1 7.886 0.002 . 1 . . . . . 58 C H . 51885 1
257 . 1 . 1 58 58 CYS C C 13 176.733 0.034 . 1 . . . . . 58 C C . 51885 1
258 . 1 . 1 58 58 CYS CA C 13 60.443 0.042 . 1 . . . . . 58 C CA . 51885 1
259 . 1 . 1 58 58 CYS CB C 13 28.621 0.009 . 1 . . . . . 58 C CB . 51885 1
260 . 1 . 1 58 58 CYS N N 15 116.457 0.029 . 1 . . . . . 58 C N . 51885 1
261 . 1 . 1 59 59 GLU H H 1 9.292 0.002 . 1 . . . . . 59 E H . 51885 1
262 . 1 . 1 59 59 GLU C C 13 175.727 0.029 . 1 . . . . . 59 E C . 51885 1
263 . 1 . 1 59 59 GLU CA C 13 58.458 0.017 . 1 . . . . . 59 E CA . 51885 1
264 . 1 . 1 59 59 GLU CB C 13 31.287 0.009 . 1 . . . . . 59 E CB . 51885 1
265 . 1 . 1 59 59 GLU N N 15 123.982 0.046 . 1 . . . . . 59 E N . 51885 1
266 . 1 . 1 60 60 GLU H H 1 7.166 0.001 . 1 . . . . . 60 E H . 51885 1
267 . 1 . 1 60 60 GLU C C 13 174.054 0.049 . 1 . . . . . 60 E C . 51885 1
268 . 1 . 1 60 60 GLU CA C 13 54.943 0.019 . 1 . . . . . 60 E CA . 51885 1
269 . 1 . 1 60 60 GLU CB C 13 33.342 0.002 . 1 . . . . . 60 E CB . 51885 1
270 . 1 . 1 60 60 GLU N N 15 112.865 0.135 . 1 . . . . . 60 E N . 51885 1
271 . 1 . 1 61 61 THR H H 1 9.081 0.003 . 1 . . . . . 61 T H . 51885 1
272 . 1 . 1 61 61 THR C C 13 173.620 0.026 . 1 . . . . . 61 T C . 51885 1
273 . 1 . 1 61 61 THR CA C 13 62.196 0.026 . 1 . . . . . 61 T CA . 51885 1
274 . 1 . 1 61 61 THR CB C 13 69.970 0.004 . 1 . . . . . 61 T CB . 51885 1
275 . 1 . 1 61 61 THR N N 15 120.485 0.074 . 1 . . . . . 61 T N . 51885 1
276 . 1 . 1 62 62 ILE H H 1 9.510 0.006 . 1 . . . . . 62 I H . 51885 1
277 . 1 . 1 62 62 ILE C C 13 175.155 0.032 . 1 . . . . . 62 I C . 51885 1
278 . 1 . 1 62 62 ILE CA C 13 60.577 0.010 . 1 . . . . . 62 I CA . 51885 1
279 . 1 . 1 62 62 ILE CB C 13 41.610 0.009 . 1 . . . . . 62 I CB . 51885 1
280 . 1 . 1 62 62 ILE N N 15 130.320 0.021 . 1 . . . . . 62 I N . 51885 1
281 . 1 . 1 63 63 LYS H H 1 9.827 0.003 . 1 . . . . . 63 K H . 51885 1
282 . 1 . 1 63 63 LYS C C 13 177.477 0.018 . 1 . . . . . 63 K C . 51885 1
283 . 1 . 1 63 63 LYS CA C 13 56.044 0.010 . 1 . . . . . 63 K CA . 51885 1
284 . 1 . 1 63 63 LYS CB C 13 32.084 0.007 . 1 . . . . . 63 K CB . 51885 1
285 . 1 . 1 63 63 LYS N N 15 129.398 0.028 . 1 . . . . . 63 K N . 51885 1
286 . 1 . 1 64 64 ILE H H 1 9.297 0.002 . 1 . . . . . 64 I H . 51885 1
287 . 1 . 1 64 64 ILE C C 13 173.083 0.037 . 1 . . . . . 64 I C . 51885 1
288 . 1 . 1 64 64 ILE CA C 13 57.953 0.008 . 1 . . . . . 64 I CA . 51885 1
289 . 1 . 1 64 64 ILE CB C 13 41.339 0.001 . 1 . . . . . 64 I CB . 51885 1
290 . 1 . 1 64 64 ILE N N 15 119.768 0.031 . 1 . . . . . 64 I N . 51885 1
291 . 1 . 1 65 65 GLN H H 1 7.927 0.003 . 1 . . . . . 65 Q H . 51885 1
292 . 1 . 1 65 65 GLN C C 13 174.941 0.019 . 1 . . . . . 65 Q C . 51885 1
293 . 1 . 1 65 65 GLN CA C 13 53.654 0.015 . 1 . . . . . 65 Q CA . 51885 1
294 . 1 . 1 65 65 GLN CB C 13 32.614 0.002 . 1 . . . . . 65 Q CB . 51885 1
295 . 1 . 1 65 65 GLN N N 15 122.479 0.028 . 1 . . . . . 65 Q N . 51885 1
296 . 1 . 1 66 66 VAL H H 1 9.115 0.007 . 1 . . . . . 66 V H . 51885 1
297 . 1 . 1 66 66 VAL C C 13 176.504 0.034 . 1 . . . . . 66 V C . 51885 1
298 . 1 . 1 66 66 VAL CA C 13 62.785 0.025 . 1 . . . . . 66 V CA . 51885 1
299 . 1 . 1 66 66 VAL CB C 13 31.124 0.007 . 1 . . . . . 66 V CB . 51885 1
300 . 1 . 1 66 66 VAL N N 15 129.741 0.034 . 1 . . . . . 66 V N . 51885 1
301 . 1 . 1 67 67 VAL H H 1 8.934 0.004 . 1 . . . . . 67 V H . 51885 1
302 . 1 . 1 67 67 VAL C C 13 175.990 0.030 . 1 . . . . . 67 V C . 51885 1
303 . 1 . 1 67 67 VAL CA C 13 58.917 0.014 . 1 . . . . . 67 V CA . 51885 1
304 . 1 . 1 67 67 VAL CB C 13 35.582 0.005 . 1 . . . . . 67 V CB . 51885 1
305 . 1 . 1 67 67 VAL N N 15 121.515 0.029 . 1 . . . . . 67 V N . 51885 1
306 . 1 . 1 68 68 THR H H 1 8.665 0.008 . 1 . . . . . 68 T H . 51885 1
307 . 1 . 1 68 68 THR C C 13 173.577 0.018 . 1 . . . . . 68 T C . 51885 1
308 . 1 . 1 68 68 THR CA C 13 61.023 0.049 . 1 . . . . . 68 T CA . 51885 1
309 . 1 . 1 68 68 THR CB C 13 69.297 0.010 . 1 . . . . . 68 T CB . 51885 1
310 . 1 . 1 68 68 THR N N 15 107.825 0.030 . 1 . . . . . 68 T N . 51885 1
311 . 1 . 1 69 69 SER H H 1 7.229 0.012 . 1 . . . . . 69 S H . 51885 1
312 . 1 . 1 69 69 SER C C 13 171.122 0.108 . 1 . . . . . 69 S C . 51885 1
313 . 1 . 1 69 69 SER CA C 13 56.989 0.012 . 1 . . . . . 69 S CA . 51885 1
314 . 1 . 1 69 69 SER CB C 13 64.831 0.003 . 1 . . . . . 69 S CB . 51885 1
315 . 1 . 1 69 69 SER N N 15 112.334 0.060 . 1 . . . . . 69 S N . 51885 1
316 . 1 . 1 70 70 PHE H H 1 8.619 0.000 . 1 . . . . . 70 F H . 51885 1
317 . 1 . 1 70 70 PHE C C 13 172.454 0.000 . 1 . . . . . 70 F C . 51885 1
318 . 1 . 1 70 70 PHE CB C 13 37.702 0.009 . 1 . . . . . 70 F CB . 51885 1
319 . 1 . 1 70 70 PHE N N 15 115.698 0.044 . 1 . . . . . 70 F N . 51885 1
320 . 1 . 1 72 72 ASP C C 13 176.423 0.000 . 1 . . . . . 72 D C . 51885 1
321 . 1 . 1 72 72 ASP CA C 13 57.210 0.046 . 1 . . . . . 72 D CA . 51885 1
322 . 1 . 1 72 72 ASP CB C 13 43.315 0.018 . 1 . . . . . 72 D CB . 51885 1
323 . 1 . 1 73 73 VAL H H 1 7.622 0.002 . 1 . . . . . 73 V H . 51885 1
324 . 1 . 1 73 73 VAL C C 13 171.628 0.015 . 1 . . . . . 73 V C . 51885 1
325 . 1 . 1 73 73 VAL CA C 13 59.537 0.006 . 1 . . . . . 73 V CA . 51885 1
326 . 1 . 1 73 73 VAL CB C 13 35.861 0.002 . 1 . . . . . 73 V CB . 51885 1
327 . 1 . 1 73 73 VAL N N 15 112.740 0.026 . 1 . . . . . 73 V N . 51885 1
328 . 1 . 1 74 74 LYS H H 1 9.804 0.003 . 1 . . . . . 74 K H . 51885 1
329 . 1 . 1 74 74 LYS C C 13 176.637 0.022 . 1 . . . . . 74 K C . 51885 1
330 . 1 . 1 74 74 LYS CA C 13 54.615 0.010 . 1 . . . . . 74 K CA . 51885 1
331 . 1 . 1 74 74 LYS CB C 13 33.780 0.006 . 1 . . . . . 74 K CB . 51885 1
332 . 1 . 1 74 74 LYS N N 15 127.055 0.025 . 1 . . . . . 74 K N . 51885 1
333 . 1 . 1 75 75 LEU H H 1 9.046 0.002 . 1 . . . . . 75 L H . 51885 1
334 . 1 . 1 75 75 LEU C C 13 174.806 0.030 . 1 . . . . . 75 L C . 51885 1
335 . 1 . 1 75 75 LEU CA C 13 52.351 0.019 . 1 . . . . . 75 L CA . 51885 1
336 . 1 . 1 75 75 LEU CB C 13 45.176 0.002 . 1 . . . . . 75 L CB . 51885 1
337 . 1 . 1 75 75 LEU N N 15 123.837 0.045 . 1 . . . . . 75 L N . 51885 1
338 . 1 . 1 76 76 GLN H H 1 8.416 0.008 . 1 . . . . . 76 Q H . 51885 1
339 . 1 . 1 76 76 GLN C C 13 175.673 0.024 . 1 . . . . . 76 Q C . 51885 1
340 . 1 . 1 76 76 GLN CA C 13 53.430 0.067 . 1 . . . . . 76 Q CA . 51885 1
341 . 1 . 1 76 76 GLN CB C 13 32.260 0.004 . 1 . . . . . 76 Q CB . 51885 1
342 . 1 . 1 76 76 GLN N N 15 123.269 0.030 . 1 . . . . . 76 Q N . 51885 1
343 . 1 . 1 77 77 LYS H H 1 9.229 0.005 . 1 . . . . . 77 K H . 51885 1
344 . 1 . 1 77 77 LYS C C 13 176.494 0.035 . 1 . . . . . 77 K C . 51885 1
345 . 1 . 1 77 77 LYS CA C 13 57.103 0.111 . 1 . . . . . 77 K CA . 51885 1
346 . 1 . 1 77 77 LYS CB C 13 32.424 0.005 . 1 . . . . . 77 K CB . 51885 1
347 . 1 . 1 77 77 LYS N N 15 129.151 0.032 . 1 . . . . . 77 K N . 51885 1
348 . 1 . 1 78 78 VAL H H 1 8.782 0.002 . 1 . . . . . 78 V H . 51885 1
349 . 1 . 1 78 78 VAL C C 13 176.160 0.009 . 1 . . . . . 78 V C . 51885 1
350 . 1 . 1 78 78 VAL CA C 13 59.189 0.012 . 1 . . . . . 78 V CA . 51885 1
351 . 1 . 1 78 78 VAL CB C 13 35.842 0.003 . 1 . . . . . 78 V CB . 51885 1
352 . 1 . 1 78 78 VAL N N 15 117.910 0.033 . 1 . . . . . 78 V N . 51885 1
353 . 1 . 1 79 79 THR H H 1 8.758 0.009 . 1 . . . . . 79 T H . 51885 1
354 . 1 . 1 79 79 THR C C 13 174.792 0.030 . 1 . . . . . 79 T C . 51885 1
355 . 1 . 1 79 79 THR CA C 13 62.254 0.031 . 1 . . . . . 79 T CA . 51885 1
356 . 1 . 1 79 79 THR CB C 13 69.374 0.010 . 1 . . . . . 79 T CB . 51885 1
357 . 1 . 1 79 79 THR N N 15 110.444 0.021 . 1 . . . . . 79 T N . 51885 1
358 . 1 . 1 80 80 SER H H 1 7.400 0.004 . 1 . . . . . 80 S H . 51885 1
359 . 1 . 1 80 80 SER C C 13 171.730 0.028 . 1 . . . . . 80 S C . 51885 1
360 . 1 . 1 80 80 SER CA C 13 57.074 0.018 . 1 . . . . . 80 S CA . 51885 1
361 . 1 . 1 80 80 SER CB C 13 64.670 0.001 . 1 . . . . . 80 S CB . 51885 1
362 . 1 . 1 80 80 SER N N 15 113.897 0.037 . 1 . . . . . 80 S N . 51885 1
363 . 1 . 1 81 81 PHE H H 1 8.448 0.002 . 1 . . . . . 81 F H . 51885 1
364 . 1 . 1 81 81 PHE C C 13 175.898 0.045 . 1 . . . . . 81 F C . 51885 1
365 . 1 . 1 81 81 PHE CA C 13 58.774 0.004 . 1 . . . . . 81 F CA . 51885 1
366 . 1 . 1 81 81 PHE CB C 13 36.751 0.010 . 1 . . . . . 81 F CB . 51885 1
367 . 1 . 1 81 81 PHE N N 15 116.619 0.055 . 1 . . . . . 81 F N . 51885 1
368 . 1 . 1 82 82 GLY H H 1 8.460 0.001 . 1 . . . . . 82 G H . 51885 1
369 . 1 . 1 82 82 GLY C C 13 173.830 0.011 . 1 . . . . . 82 G C . 51885 1
370 . 1 . 1 82 82 GLY CA C 13 44.462 0.012 . 1 . . . . . 82 G CA . 51885 1
371 . 1 . 1 82 82 GLY N N 15 105.840 0.046 . 1 . . . . . 82 G N . 51885 1
372 . 1 . 1 83 83 ASP H H 1 9.150 0.014 . 1 . . . . . 83 D H . 51885 1
373 . 1 . 1 83 83 ASP C C 13 175.390 0.033 . 1 . . . . . 83 D C . 51885 1
374 . 1 . 1 83 83 ASP CA C 13 58.067 0.029 . 1 . . . . . 83 D CA . 51885 1
375 . 1 . 1 83 83 ASP CB C 13 42.822 0.002 . 1 . . . . . 83 D CB . 51885 1
376 . 1 . 1 83 83 ASP N N 15 121.026 0.054 . 1 . . . . . 83 D N . 51885 1
377 . 1 . 1 84 84 PHE H H 1 7.580 0.003 . 1 . . . . . 84 F H . 51885 1
378 . 1 . 1 84 84 PHE C C 13 172.119 0.025 . 1 . . . . . 84 F C . 51885 1
379 . 1 . 1 84 84 PHE CA C 13 55.992 0.014 . 1 . . . . . 84 F CA . 51885 1
380 . 1 . 1 84 84 PHE CB C 13 39.787 0.003 . 1 . . . . . 84 F CB . 51885 1
381 . 1 . 1 84 84 PHE N N 15 111.223 0.042 . 1 . . . . . 84 F N . 51885 1
382 . 1 . 1 85 85 GLU H H 1 8.798 0.003 . 1 . . . . . 85 E H . 51885 1
383 . 1 . 1 85 85 GLU C C 13 174.641 0.020 . 1 . . . . . 85 E C . 51885 1
384 . 1 . 1 85 85 GLU CA C 13 53.998 0.007 . 1 . . . . . 85 E CA . 51885 1
385 . 1 . 1 85 85 GLU CB C 13 33.827 0.002 . 1 . . . . . 85 E CB . 51885 1
386 . 1 . 1 85 85 GLU N N 15 120.913 0.036 . 1 . . . . . 85 E N . 51885 1
387 . 1 . 1 86 86 ALA H H 1 8.656 0.002 . 1 . . . . . 86 A H . 51885 1
388 . 1 . 1 86 86 ALA C C 13 175.637 0.007 . 1 . . . . . 86 A C . 51885 1
389 . 1 . 1 86 86 ALA CA C 13 50.309 0.037 . 1 . . . . . 86 A CA . 51885 1
390 . 1 . 1 86 86 ALA CB C 13 23.285 0.003 . 1 . . . . . 86 A CB . 51885 1
391 . 1 . 1 86 86 ALA N N 15 122.128 0.055 . 1 . . . . . 86 A N . 51885 1
392 . 1 . 1 87 87 TYR H H 1 8.231 0.008 . 1 . . . . . 87 Y H . 51885 1
393 . 1 . 1 87 87 TYR C C 13 173.798 0.023 . 1 . . . . . 87 Y C . 51885 1
394 . 1 . 1 87 87 TYR CA C 13 56.585 0.027 . 1 . . . . . 87 Y CA . 51885 1
395 . 1 . 1 87 87 TYR CB C 13 41.390 0.003 . 1 . . . . . 87 Y CB . 51885 1
396 . 1 . 1 87 87 TYR N N 15 123.398 0.043 . 1 . . . . . 87 Y N . 51885 1
397 . 1 . 1 88 88 ILE H H 1 8.215 0.011 . 1 . . . . . 88 I H . 51885 1
398 . 1 . 1 88 88 ILE C C 13 173.715 0.035 . 1 . . . . . 88 I C . 51885 1
399 . 1 . 1 88 88 ILE CA C 13 60.788 0.021 . 1 . . . . . 88 I CA . 51885 1
400 . 1 . 1 88 88 ILE CB C 13 38.735 0.007 . 1 . . . . . 88 I CB . 51885 1
401 . 1 . 1 88 88 ILE N N 15 128.073 0.052 . 1 . . . . . 88 I N . 51885 1
402 . 1 . 1 89 89 ASP H H 1 8.665 0.000 . 1 . . . . . 89 D H . 51885 1
403 . 1 . 1 89 89 ASP C C 13 179.620 0.000 . 1 . . . . . 89 D C . 51885 1
404 . 1 . 1 89 89 ASP CA C 13 55.286 0.000 . 1 . . . . . 89 D CA . 51885 1
405 . 1 . 1 89 89 ASP CB C 13 43.093 0.003 . 1 . . . . . 89 D CB . 51885 1
406 . 1 . 1 89 89 ASP N N 15 132.610 0.035 . 1 . . . . . 89 D N . 51885 1
stop_
save_