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 51858
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Assigned chemical shifts for P44A at 25 degree celsius'
_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 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_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' . . . 51858 1
2 '3D HNHA' . . . 51858 1
3 '3D N15 edited TOCSY' . . . 51858 1
4 '3D N15-NOESY' . . . 51858 1
5 '3D HNCACB' . . . 51858 1
6 '3D CBCA(CO)NH' . . . 51858 1
7 '3D C13-NOESY' . . . 51858 1
8 '2D 1H-13C HSQC' . . . 51858 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
2 $software_2 . . 51858 1
3 $software_3 . . 51858 1
4 $software_4 . . 51858 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 2 2 GLY CA C 13 42.546 0.022 . 1 . . . . . 2 GLY CA . 51858 1
2 . 1 . 1 3 3 SER H H 1 8.130 0.001 . 1 . . . . . 3 SER H . 51858 1
3 . 1 . 1 3 3 SER CA C 13 55.210 0.038 . 1 . . . . . 3 SER CA . 51858 1
4 . 1 . 1 3 3 SER CB C 13 62.315 0.050 . 1 . . . . . 3 SER CB . 51858 1
5 . 1 . 1 3 3 SER N N 15 115.160 0.030 . 1 . . . . . 3 SER N . 51858 1
6 . 1 . 1 4 4 MET H H 1 8.878 0.007 . 1 . . . . . 4 MET H . 51858 1
7 . 1 . 1 4 4 MET HA H 1 4.570 0.035 . 1 . . . . . 4 MET HA . 51858 1
8 . 1 . 1 4 4 MET HB2 H 1 1.889 0.013 . 1 . . . . . 4 MET HB2 . 51858 1
9 . 1 . 1 4 4 MET HB3 H 1 1.889 0.013 . 1 . . . . . 4 MET HB3 . 51858 1
10 . 1 . 1 4 4 MET HG2 H 1 2.334 0.020 . 1 . . . . . 4 MET HG2 . 51858 1
11 . 1 . 1 4 4 MET HG3 H 1 2.334 0.020 . 1 . . . . . 4 MET HG3 . 51858 1
12 . 1 . 1 4 4 MET CA C 13 52.166 0.020 . 1 . . . . . 4 MET CA . 51858 1
13 . 1 . 1 4 4 MET CB C 13 32.422 0.030 . 1 . . . . . 4 MET CB . 51858 1
14 . 1 . 1 4 4 MET N N 15 122.415 0.039 . 1 . . . . . 4 MET N . 51858 1
15 . 1 . 1 5 5 LYS H H 1 8.321 0.004 . 1 . . . . . 5 LYS H . 51858 1
16 . 1 . 1 5 5 LYS HA H 1 4.895 0.026 . 1 . . . . . 5 LYS HA . 51858 1
17 . 1 . 1 5 5 LYS HB2 H 1 1.529 0.027 . 2 . . . . . 5 LYS HB2 . 51858 1
18 . 1 . 1 5 5 LYS HB3 H 1 1.532 0.028 . 2 . . . . . 5 LYS HB3 . 51858 1
19 . 1 . 1 5 5 LYS HG2 H 1 1.231 0.007 . 2 . . . . . 5 LYS HG2 . 51858 1
20 . 1 . 1 5 5 LYS HG3 H 1 1.148 0.015 . 2 . . . . . 5 LYS HG3 . 51858 1
21 . 1 . 1 5 5 LYS HD2 H 1 1.447 0.001 . 1 . . . . . 5 LYS HD2 . 51858 1
22 . 1 . 1 5 5 LYS HD3 H 1 1.447 0.001 . 1 . . . . . 5 LYS HD3 . 51858 1
23 . 1 . 1 5 5 LYS HE2 H 1 2.765 0.004 . 1 . . . . . 5 LYS HE2 . 51858 1
24 . 1 . 1 5 5 LYS HE3 H 1 2.765 0.004 . 1 . . . . . 5 LYS HE3 . 51858 1
25 . 1 . 1 5 5 LYS CA C 13 52.529 0.106 . 1 . . . . . 5 LYS CA . 51858 1
26 . 1 . 1 5 5 LYS CB C 13 30.447 0.018 . 1 . . . . . 5 LYS CB . 51858 1
27 . 1 . 1 5 5 LYS N N 15 123.489 0.066 . 1 . . . . . 5 LYS N . 51858 1
28 . 1 . 1 6 6 LEU H H 1 8.843 0.008 . 1 . . . . . 6 LEU H . 51858 1
29 . 1 . 1 6 6 LEU HA H 1 4.595 0.005 . 1 . . . . . 6 LEU HA . 51858 1
30 . 1 . 1 6 6 LEU HB2 H 1 1.419 0.009 . 1 . . . . . 6 LEU HB2 . 51858 1
31 . 1 . 1 6 6 LEU HB3 H 1 1.419 0.009 . 1 . . . . . 6 LEU HB3 . 51858 1
32 . 1 . 1 6 6 LEU HG H 1 1.263 0.010 . 1 . . . . . 6 LEU HG . 51858 1
33 . 1 . 1 6 6 LEU HD11 H 1 0.666 0.004 . 2 . . . . . 6 LEU HD11 . 51858 1
34 . 1 . 1 6 6 LEU HD12 H 1 0.666 0.004 . 2 . . . . . 6 LEU HD12 . 51858 1
35 . 1 . 1 6 6 LEU HD13 H 1 0.666 0.004 . 2 . . . . . 6 LEU HD13 . 51858 1
36 . 1 . 1 6 6 LEU HD21 H 1 0.681 0.003 . 2 . . . . . 6 LEU HD21 . 51858 1
37 . 1 . 1 6 6 LEU HD22 H 1 0.681 0.003 . 2 . . . . . 6 LEU HD22 . 51858 1
38 . 1 . 1 6 6 LEU HD23 H 1 0.681 0.003 . 2 . . . . . 6 LEU HD23 . 51858 1
39 . 1 . 1 6 6 LEU CA C 13 51.075 0.071 . 1 . . . . . 6 LEU CA . 51858 1
40 . 1 . 1 6 6 LEU CB C 13 42.472 0.028 . 1 . . . . . 6 LEU CB . 51858 1
41 . 1 . 1 6 6 LEU N N 15 125.748 0.063 . 1 . . . . . 6 LEU N . 51858 1
42 . 1 . 1 7 7 SER H H 1 8.317 0.006 . 1 . . . . . 7 SER H . 51858 1
43 . 1 . 1 7 7 SER HA H 1 5.226 0.014 . 1 . . . . . 7 SER HA . 51858 1
44 . 1 . 1 7 7 SER HB2 H 1 3.568 0.000 . 2 . . . . . 7 SER HB2 . 51858 1
45 . 1 . 1 7 7 SER HB3 H 1 3.565 0.015 . 2 . . . . . 7 SER HB3 . 51858 1
46 . 1 . 1 7 7 SER CA C 13 54.321 0.053 . 1 . . . . . 7 SER CA . 51858 1
47 . 1 . 1 7 7 SER CB C 13 61.539 0.120 . 1 . . . . . 7 SER CB . 51858 1
48 . 1 . 1 7 7 SER N N 15 117.316 0.045 . 1 . . . . . 7 SER N . 51858 1
49 . 1 . 1 8 8 VAL H H 1 8.833 0.005 . 1 . . . . . 8 VAL H . 51858 1
50 . 1 . 1 8 8 VAL HA H 1 4.432 0.019 . 1 . . . . . 8 VAL HA . 51858 1
51 . 1 . 1 8 8 VAL HB H 1 1.890 0.007 . 1 . . . . . 8 VAL HB . 51858 1
52 . 1 . 1 8 8 VAL HG11 H 1 0.693 0.002 . 1 . . . . . 8 VAL HG11 . 51858 1
53 . 1 . 1 8 8 VAL HG12 H 1 0.693 0.002 . 1 . . . . . 8 VAL HG12 . 51858 1
54 . 1 . 1 8 8 VAL HG13 H 1 0.693 0.002 . 1 . . . . . 8 VAL HG13 . 51858 1
55 . 1 . 1 8 8 VAL HG21 H 1 0.693 0.002 . 1 . . . . . 8 VAL HG21 . 51858 1
56 . 1 . 1 8 8 VAL HG22 H 1 0.693 0.002 . 1 . . . . . 8 VAL HG22 . 51858 1
57 . 1 . 1 8 8 VAL HG23 H 1 0.693 0.002 . 1 . . . . . 8 VAL HG23 . 51858 1
58 . 1 . 1 8 8 VAL CA C 13 56.829 0.036 . 1 . . . . . 8 VAL CA . 51858 1
59 . 1 . 1 8 8 VAL CB C 13 32.369 0.031 . 1 . . . . . 8 VAL CB . 51858 1
60 . 1 . 1 8 8 VAL N N 15 122.044 0.060 . 1 . . . . . 8 VAL N . 51858 1
61 . 1 . 1 9 9 SER H H 1 8.385 0.005 . 1 . . . . . 9 SER H . 51858 1
62 . 1 . 1 9 9 SER HA H 1 5.098 0.013 . 1 . . . . . 9 SER HA . 51858 1
63 . 1 . 1 9 9 SER HB2 H 1 3.562 0.007 . 2 . . . . . 9 SER HB2 . 51858 1
64 . 1 . 1 9 9 SER HB3 H 1 3.555 0.024 . 2 . . . . . 9 SER HB3 . 51858 1
65 . 1 . 1 9 9 SER CA C 13 54.575 0.045 . 1 . . . . . 9 SER CA . 51858 1
66 . 1 . 1 9 9 SER CB C 13 61.206 0.045 . 1 . . . . . 9 SER CB . 51858 1
67 . 1 . 1 9 9 SER N N 15 120.578 0.051 . 1 . . . . . 9 SER N . 51858 1
68 . 1 . 1 10 10 LEU H H 1 8.562 0.007 . 1 . . . . . 10 LEU H . 51858 1
69 . 1 . 1 10 10 LEU HA H 1 4.837 0.023 . 1 . . . . . 10 LEU HA . 51858 1
70 . 1 . 1 10 10 LEU HB2 H 1 1.452 0.010 . 1 . . . . . 10 LEU HB2 . 51858 1
71 . 1 . 1 10 10 LEU HB3 H 1 1.452 0.010 . 1 . . . . . 10 LEU HB3 . 51858 1
72 . 1 . 1 10 10 LEU HG H 1 0.792 0.016 . 1 . . . . . 10 LEU HG . 51858 1
73 . 1 . 1 10 10 LEU HD11 H 1 0.623 0.007 . 2 . . . . . 10 LEU HD11 . 51858 1
74 . 1 . 1 10 10 LEU HD12 H 1 0.623 0.007 . 2 . . . . . 10 LEU HD12 . 51858 1
75 . 1 . 1 10 10 LEU HD13 H 1 0.623 0.007 . 2 . . . . . 10 LEU HD13 . 51858 1
76 . 1 . 1 10 10 LEU HD21 H 1 0.745 0.000 . 2 . . . . . 10 LEU HD21 . 51858 1
77 . 1 . 1 10 10 LEU HD22 H 1 0.745 0.000 . 2 . . . . . 10 LEU HD22 . 51858 1
78 . 1 . 1 10 10 LEU HD23 H 1 0.745 0.000 . 2 . . . . . 10 LEU HD23 . 51858 1
79 . 1 . 1 10 10 LEU CA C 13 50.038 0.037 . 1 . . . . . 10 LEU CA . 51858 1
80 . 1 . 1 10 10 LEU CB C 13 43.926 0.016 . 1 . . . . . 10 LEU CB . 51858 1
81 . 1 . 1 10 10 LEU N N 15 124.964 0.047 . 1 . . . . . 10 LEU N . 51858 1
82 . 1 . 1 11 11 SER H H 1 9.394 0.006 . 1 . . . . . 11 SER H . 51858 1
83 . 1 . 1 11 11 SER HA H 1 4.639 0.022 . 1 . . . . . 11 SER HA . 51858 1
84 . 1 . 1 11 11 SER HB2 H 1 3.917 0.019 . 1 . . . . . 11 SER HB2 . 51858 1
85 . 1 . 1 11 11 SER CA C 13 54.681 0.019 . 1 . . . . . 11 SER CA . 51858 1
86 . 1 . 1 11 11 SER CB C 13 62.647 0.013 . 1 . . . . . 11 SER CB . 51858 1
87 . 1 . 1 11 11 SER N N 15 118.333 0.045 . 1 . . . . . 11 SER N . 51858 1
88 . 1 . 1 12 12 ASP H H 1 8.547 0.002 . 1 . . . . . 12 ASP H . 51858 1
89 . 1 . 1 12 12 ASP HA H 1 4.151 0.021 . 1 . . . . . 12 ASP HA . 51858 1
90 . 1 . 1 12 12 ASP HB2 H 1 2.553 0.019 . 2 . . . . . 12 ASP HB2 . 51858 1
91 . 1 . 1 12 12 ASP HB3 H 1 2.362 0.000 . 2 . . . . . 12 ASP HB3 . 51858 1
92 . 1 . 1 12 12 ASP CA C 13 55.071 0.032 . 1 . . . . . 12 ASP CA . 51858 1
93 . 1 . 1 12 12 ASP CB C 13 37.165 0.010 . 1 . . . . . 12 ASP CB . 51858 1
94 . 1 . 1 12 12 ASP N N 15 121.318 0.082 . 1 . . . . . 12 ASP N . 51858 1
95 . 1 . 1 13 13 ASP H H 1 8.199 0.003 . 1 . . . . . 13 ASP H . 51858 1
96 . 1 . 1 13 13 ASP HA H 1 4.305 0.003 . 1 . . . . . 13 ASP HA . 51858 1
97 . 1 . 1 13 13 ASP HB2 H 1 2.481 0.017 . 1 . . . . . 13 ASP HB2 . 51858 1
98 . 1 . 1 13 13 ASP CA C 13 54.455 0.024 . 1 . . . . . 13 ASP CA . 51858 1
99 . 1 . 1 13 13 ASP CB C 13 38.070 0.012 . 1 . . . . . 13 ASP CB . 51858 1
100 . 1 . 1 13 13 ASP N N 15 119.571 0.077 . 1 . . . . . 13 ASP N . 51858 1
101 . 1 . 1 14 14 ASP H H 1 7.694 0.008 . 1 . . . . . 14 ASP H . 51858 1
102 . 1 . 1 14 14 ASP HA H 1 4.301 0.023 . 1 . . . . . 14 ASP HA . 51858 1
103 . 1 . 1 14 14 ASP HB2 H 1 2.948 0.006 . 1 . . . . . 14 ASP HB2 . 51858 1
104 . 1 . 1 14 14 ASP HB3 H 1 2.948 0.006 . 1 . . . . . 14 ASP HB3 . 51858 1
105 . 1 . 1 14 14 ASP CA C 13 54.869 0.061 . 1 . . . . . 14 ASP CA . 51858 1
106 . 1 . 1 14 14 ASP CB C 13 38.628 0.079 . 1 . . . . . 14 ASP CB . 51858 1
107 . 1 . 1 14 14 ASP N N 15 121.009 0.126 . 1 . . . . . 14 ASP N . 51858 1
108 . 1 . 1 15 15 VAL H H 1 8.168 0.009 . 1 . . . . . 15 VAL H . 51858 1
109 . 1 . 1 15 15 VAL HA H 1 3.322 0.017 . 1 . . . . . 15 VAL HA . 51858 1
110 . 1 . 1 15 15 VAL HB H 1 1.981 0.004 . 1 . . . . . 15 VAL HB . 51858 1
111 . 1 . 1 15 15 VAL HG11 H 1 0.809 0.020 . 2 . . . . . 15 VAL HG11 . 51858 1
112 . 1 . 1 15 15 VAL HG12 H 1 0.809 0.020 . 2 . . . . . 15 VAL HG12 . 51858 1
113 . 1 . 1 15 15 VAL HG13 H 1 0.809 0.020 . 2 . . . . . 15 VAL HG13 . 51858 1
114 . 1 . 1 15 15 VAL HG21 H 1 0.880 0.022 . 2 . . . . . 15 VAL HG21 . 51858 1
115 . 1 . 1 15 15 VAL HG22 H 1 0.880 0.022 . 2 . . . . . 15 VAL HG22 . 51858 1
116 . 1 . 1 15 15 VAL HG23 H 1 0.880 0.022 . 2 . . . . . 15 VAL HG23 . 51858 1
117 . 1 . 1 15 15 VAL CA C 13 64.135 0.043 . 1 . . . . . 15 VAL CA . 51858 1
118 . 1 . 1 15 15 VAL CB C 13 28.696 0.013 . 1 . . . . . 15 VAL CB . 51858 1
119 . 1 . 1 15 15 VAL N N 15 119.722 0.065 . 1 . . . . . 15 VAL N . 51858 1
120 . 1 . 1 16 16 ALA H H 1 7.747 0.003 . 1 . . . . . 16 ALA H . 51858 1
121 . 1 . 1 16 16 ALA HA H 1 4.137 0.022 . 1 . . . . . 16 ALA HA . 51858 1
122 . 1 . 1 16 16 ALA HB1 H 1 1.459 0.020 . 1 . . . . . 16 ALA HB1 . 51858 1
123 . 1 . 1 16 16 ALA HB2 H 1 1.459 0.020 . 1 . . . . . 16 ALA HB2 . 51858 1
124 . 1 . 1 16 16 ALA HB3 H 1 1.459 0.020 . 1 . . . . . 16 ALA HB3 . 51858 1
125 . 1 . 1 16 16 ALA CA C 13 52.633 0.041 . 1 . . . . . 16 ALA CA . 51858 1
126 . 1 . 1 16 16 ALA CB C 13 14.925 0.096 . 1 . . . . . 16 ALA CB . 51858 1
127 . 1 . 1 16 16 ALA N N 15 121.455 0.084 . 1 . . . . . 16 ALA N . 51858 1
128 . 1 . 1 17 17 ILE H H 1 7.537 0.005 . 1 . . . . . 17 ILE H . 51858 1
129 . 1 . 1 17 17 ILE HA H 1 3.587 0.017 . 1 . . . . . 17 ILE HA . 51858 1
130 . 1 . 1 17 17 ILE HB H 1 1.900 0.021 . 1 . . . . . 17 ILE HB . 51858 1
131 . 1 . 1 17 17 ILE HG21 H 1 0.718 0.011 . 1 . . . . . 17 ILE HG21 . 51858 1
132 . 1 . 1 17 17 ILE HG22 H 1 0.718 0.011 . 1 . . . . . 17 ILE HG22 . 51858 1
133 . 1 . 1 17 17 ILE HG23 H 1 0.718 0.011 . 1 . . . . . 17 ILE HG23 . 51858 1
134 . 1 . 1 17 17 ILE HD11 H 1 0.737 0.007 . 1 . . . . . 17 ILE HD11 . 51858 1
135 . 1 . 1 17 17 ILE HD12 H 1 0.737 0.007 . 1 . . . . . 17 ILE HD12 . 51858 1
136 . 1 . 1 17 17 ILE HD13 H 1 0.737 0.007 . 1 . . . . . 17 ILE HD13 . 51858 1
137 . 1 . 1 17 17 ILE CA C 13 62.229 0.065 . 1 . . . . . 17 ILE CA . 51858 1
138 . 1 . 1 17 17 ILE CB C 13 34.990 0.000 . 1 . . . . . 17 ILE CB . 51858 1
139 . 1 . 1 17 17 ILE N N 15 120.417 0.051 . 1 . . . . . 17 ILE N . 51858 1
140 . 1 . 1 18 18 LEU H H 1 7.940 0.002 . 1 . . . . . 18 LEU H . 51858 1
141 . 1 . 1 18 18 LEU HA H 1 4.026 0.003 . 1 . . . . . 18 LEU HA . 51858 1
142 . 1 . 1 18 18 LEU HB2 H 1 1.278 0.014 . 1 . . . . . 18 LEU HB2 . 51858 1
143 . 1 . 1 18 18 LEU CA C 13 55.436 0.020 . 1 . . . . . 18 LEU CA . 51858 1
144 . 1 . 1 18 18 LEU CB C 13 39.557 0.089 . 1 . . . . . 18 LEU CB . 51858 1
145 . 1 . 1 18 18 LEU N N 15 122.505 0.025 . 1 . . . . . 18 LEU N . 51858 1
146 . 1 . 1 19 19 ASP H H 1 9.233 0.004 . 1 . . . . . 19 ASP H . 51858 1
147 . 1 . 1 19 19 ASP HA H 1 4.254 0.015 . 1 . . . . . 19 ASP HA . 51858 1
148 . 1 . 1 19 19 ASP HB2 H 1 2.611 0.000 . 2 . . . . . 19 ASP HB2 . 51858 1
149 . 1 . 1 19 19 ASP HB3 H 1 2.458 0.020 . 2 . . . . . 19 ASP HB3 . 51858 1
150 . 1 . 1 19 19 ASP CA C 13 54.576 0.065 . 1 . . . . . 19 ASP CA . 51858 1
151 . 1 . 1 19 19 ASP CB C 13 36.737 0.037 . 1 . . . . . 19 ASP CB . 51858 1
152 . 1 . 1 19 19 ASP N N 15 119.200 0.064 . 1 . . . . . 19 ASP N . 51858 1
153 . 1 . 1 20 20 ALA H H 1 7.919 0.005 . 1 . . . . . 20 ALA H . 51858 1
154 . 1 . 1 20 20 ALA HA H 1 4.106 0.024 . 1 . . . . . 20 ALA HA . 51858 1
155 . 1 . 1 20 20 ALA HB1 H 1 1.472 0.019 . 1 . . . . . 20 ALA HB1 . 51858 1
156 . 1 . 1 20 20 ALA HB2 H 1 1.472 0.019 . 1 . . . . . 20 ALA HB2 . 51858 1
157 . 1 . 1 20 20 ALA HB3 H 1 1.472 0.019 . 1 . . . . . 20 ALA HB3 . 51858 1
158 . 1 . 1 20 20 ALA CA C 13 52.376 0.028 . 1 . . . . . 20 ALA CA . 51858 1
159 . 1 . 1 20 20 ALA CB C 13 15.019 0.056 . 1 . . . . . 20 ALA CB . 51858 1
160 . 1 . 1 20 20 ALA N N 15 123.637 0.087 . 1 . . . . . 20 ALA N . 51858 1
161 . 1 . 1 21 21 TYR H H 1 8.136 0.006 . 1 . . . . . 21 TYR H . 51858 1
162 . 1 . 1 21 21 TYR HA H 1 3.934 0.011 . 1 . . . . . 21 TYR HA . 51858 1
163 . 1 . 1 21 21 TYR HB2 H 1 3.046 0.012 . 1 . . . . . 21 TYR HB2 . 51858 1
164 . 1 . 1 21 21 TYR HD1 H 1 6.773 0.003 . 1 . . . . . 21 TYR HD1 . 51858 1
165 . 1 . 1 21 21 TYR HD2 H 1 6.773 0.003 . 1 . . . . . 21 TYR HD2 . 51858 1
166 . 1 . 1 21 21 TYR HE1 H 1 6.593 0.015 . 1 . . . . . 21 TYR HE1 . 51858 1
167 . 1 . 1 21 21 TYR HE2 H 1 6.593 0.015 . 1 . . . . . 21 TYR HE2 . 51858 1
168 . 1 . 1 21 21 TYR CA C 13 59.599 0.068 . 1 . . . . . 21 TYR CA . 51858 1
169 . 1 . 1 21 21 TYR CB C 13 35.658 0.044 . 1 . . . . . 21 TYR CB . 51858 1
170 . 1 . 1 21 21 TYR N N 15 121.674 0.109 . 1 . . . . . 21 TYR N . 51858 1
171 . 1 . 1 22 22 VAL H H 1 8.721 0.009 . 1 . . . . . 22 VAL H . 51858 1
172 . 1 . 1 22 22 VAL HA H 1 3.295 0.014 . 1 . . . . . 22 VAL HA . 51858 1
173 . 1 . 1 22 22 VAL HB H 1 2.132 0.012 . 1 . . . . . 22 VAL HB . 51858 1
174 . 1 . 1 22 22 VAL HG11 H 1 0.989 0.018 . 2 . . . . . 22 VAL HG11 . 51858 1
175 . 1 . 1 22 22 VAL HG12 H 1 0.989 0.018 . 2 . . . . . 22 VAL HG12 . 51858 1
176 . 1 . 1 22 22 VAL HG13 H 1 0.989 0.018 . 2 . . . . . 22 VAL HG13 . 51858 1
177 . 1 . 1 22 22 VAL HG21 H 1 0.627 0.007 . 2 . . . . . 22 VAL HG21 . 51858 1
178 . 1 . 1 22 22 VAL HG22 H 1 0.627 0.007 . 2 . . . . . 22 VAL HG22 . 51858 1
179 . 1 . 1 22 22 VAL HG23 H 1 0.627 0.007 . 2 . . . . . 22 VAL HG23 . 51858 1
180 . 1 . 1 22 22 VAL CA C 13 64.461 0.062 . 1 . . . . . 22 VAL CA . 51858 1
181 . 1 . 1 22 22 VAL CB C 13 29.307 0.107 . 1 . . . . . 22 VAL CB . 51858 1
182 . 1 . 1 22 22 VAL CG1 C 13 21.773 0.000 . 1 . . . . . 22 VAL CG1 . 51858 1
183 . 1 . 1 22 22 VAL N N 15 119.191 0.041 . 1 . . . . . 22 VAL N . 51858 1
184 . 1 . 1 23 23 LYS H H 1 7.570 0.006 . 1 . . . . . 23 LYS H . 51858 1
185 . 1 . 1 23 23 LYS HA H 1 4.012 0.008 . 1 . . . . . 23 LYS HA . 51858 1
186 . 1 . 1 23 23 LYS HB2 H 1 1.780 0.007 . 1 . . . . . 23 LYS HB2 . 51858 1
187 . 1 . 1 23 23 LYS HB3 H 1 1.780 0.007 . 1 . . . . . 23 LYS HB3 . 51858 1
188 . 1 . 1 23 23 LYS HG2 H 1 1.329 0.005 . 2 . . . . . 23 LYS HG2 . 51858 1
189 . 1 . 1 23 23 LYS HG3 H 1 1.176 0.016 . 2 . . . . . 23 LYS HG3 . 51858 1
190 . 1 . 1 23 23 LYS HD2 H 1 1.568 0.000 . 1 . . . . . 23 LYS HD2 . 51858 1
191 . 1 . 1 23 23 LYS HE2 H 1 3.054 0.000 . 1 . . . . . 23 LYS HE2 . 51858 1
192 . 1 . 1 23 23 LYS CA C 13 56.379 0.044 . 1 . . . . . 23 LYS CA . 51858 1
193 . 1 . 1 23 23 LYS CB C 13 29.835 0.034 . 1 . . . . . 23 LYS CB . 51858 1
194 . 1 . 1 23 23 LYS N N 15 117.132 0.075 . 1 . . . . . 23 LYS N . 51858 1
195 . 1 . 1 24 24 ARG H H 1 7.919 0.004 . 1 . . . . . 24 ARG H . 51858 1
196 . 1 . 1 24 24 ARG HA H 1 3.924 0.009 . 1 . . . . . 24 ARG HA . 51858 1
197 . 1 . 1 24 24 ARG HB2 H 1 1.749 0.011 . 1 . . . . . 24 ARG HB2 . 51858 1
198 . 1 . 1 24 24 ARG HG2 H 1 1.561 0.003 . 1 . . . . . 24 ARG HG2 . 51858 1
199 . 1 . 1 24 24 ARG HD2 H 1 3.072 0.003 . 1 . . . . . 24 ARG HD2 . 51858 1
200 . 1 . 1 24 24 ARG CA C 13 56.385 0.035 . 1 . . . . . 24 ARG CA . 51858 1
201 . 1 . 1 24 24 ARG CB C 13 27.273 0.020 . 1 . . . . . 24 ARG CB . 51858 1
202 . 1 . 1 24 24 ARG N N 15 120.784 0.106 . 1 . . . . . 24 ARG N . 51858 1
203 . 1 . 1 25 25 ALA H H 1 8.423 0.006 . 1 . . . . . 25 ALA H . 51858 1
204 . 1 . 1 25 25 ALA HA H 1 4.070 0.024 . 1 . . . . . 25 ALA HA . 51858 1
205 . 1 . 1 25 25 ALA HB1 H 1 0.796 0.016 . 1 . . . . . 25 ALA HB1 . 51858 1
206 . 1 . 1 25 25 ALA HB2 H 1 0.796 0.016 . 1 . . . . . 25 ALA HB2 . 51858 1
207 . 1 . 1 25 25 ALA HB3 H 1 0.796 0.016 . 1 . . . . . 25 ALA HB3 . 51858 1
208 . 1 . 1 25 25 ALA CA C 13 49.271 0.052 . 1 . . . . . 25 ALA CA . 51858 1
209 . 1 . 1 25 25 ALA CB C 13 15.744 0.042 . 1 . . . . . 25 ALA CB . 51858 1
210 . 1 . 1 25 25 ALA N N 15 118.897 0.055 . 1 . . . . . 25 ALA N . 51858 1
211 . 1 . 1 26 26 GLY H H 1 7.434 0.004 . 1 . . . . . 26 GLY H . 51858 1
212 . 1 . 1 26 26 GLY HA2 H 1 3.779 0.009 . 1 . . . . . 26 GLY HA2 . 51858 1
213 . 1 . 1 26 26 GLY HA3 H 1 3.779 0.009 . 1 . . . . . 26 GLY HA3 . 51858 1
214 . 1 . 1 26 26 GLY CA C 13 43.884 0.024 . 1 . . . . . 26 GLY CA . 51858 1
215 . 1 . 1 26 26 GLY N N 15 108.117 0.096 . 1 . . . . . 26 GLY N . 51858 1
216 . 1 . 1 27 27 LEU H H 1 7.941 0.004 . 1 . . . . . 27 LEU H . 51858 1
217 . 1 . 1 27 27 LEU HA H 1 4.448 0.015 . 1 . . . . . 27 LEU HA . 51858 1
218 . 1 . 1 27 27 LEU HB2 H 1 1.764 0.000 . 1 . . . . . 27 LEU HB2 . 51858 1
219 . 1 . 1 27 27 LEU HG H 1 1.612 0.019 . 1 . . . . . 27 LEU HG . 51858 1
220 . 1 . 1 27 27 LEU HD11 H 1 0.333 0.017 . 2 . . . . . 27 LEU HD11 . 51858 1
221 . 1 . 1 27 27 LEU HD12 H 1 0.333 0.017 . 2 . . . . . 27 LEU HD12 . 51858 1
222 . 1 . 1 27 27 LEU HD13 H 1 0.333 0.017 . 2 . . . . . 27 LEU HD13 . 51858 1
223 . 1 . 1 27 27 LEU HD21 H 1 0.634 0.013 . 2 . . . . . 27 LEU HD21 . 51858 1
224 . 1 . 1 27 27 LEU HD22 H 1 0.634 0.013 . 2 . . . . . 27 LEU HD22 . 51858 1
225 . 1 . 1 27 27 LEU HD23 H 1 0.634 0.013 . 2 . . . . . 27 LEU HD23 . 51858 1
226 . 1 . 1 27 27 LEU CA C 13 49.558 0.091 . 1 . . . . . 27 LEU CA . 51858 1
227 . 1 . 1 27 27 LEU CB C 13 39.588 0.000 . 1 . . . . . 27 LEU CB . 51858 1
228 . 1 . 1 27 27 LEU N N 15 118.612 0.113 . 1 . . . . . 27 LEU N . 51858 1
229 . 1 . 1 28 28 PRO HA H 1 4.357 0.027 . 1 . . . . . 28 PRO HA . 51858 1
230 . 1 . 1 28 28 PRO HB2 H 1 1.974 0.000 . 1 . . . . . 28 PRO HB2 . 51858 1
231 . 1 . 1 28 28 PRO HG2 H 1 1.805 0.005 . 1 . . . . . 28 PRO HG2 . 51858 1
232 . 1 . 1 28 28 PRO HD2 H 1 3.654 0.028 . 2 . . . . . 28 PRO HD2 . 51858 1
233 . 1 . 1 28 28 PRO HD3 H 1 3.355 0.049 . 2 . . . . . 28 PRO HD3 . 51858 1
234 . 1 . 1 28 28 PRO CA C 13 61.393 0.046 . 1 . . . . . 28 PRO CA . 51858 1
235 . 1 . 1 28 28 PRO CB C 13 29.762 0.005 . 1 . . . . . 28 PRO CB . 51858 1
236 . 1 . 1 29 29 SER H H 1 6.735 0.007 . 1 . . . . . 29 SER H . 51858 1
237 . 1 . 1 29 29 SER HA H 1 4.708 0.006 . 1 . . . . . 29 SER HA . 51858 1
238 . 1 . 1 29 29 SER HB2 H 1 3.862 0.016 . 1 . . . . . 29 SER HB2 . 51858 1
239 . 1 . 1 29 29 SER CA C 13 53.818 0.087 . 1 . . . . . 29 SER CA . 51858 1
240 . 1 . 1 29 29 SER CB C 13 63.593 0.031 . 1 . . . . . 29 SER CB . 51858 1
241 . 1 . 1 29 29 SER N N 15 108.734 0.056 . 1 . . . . . 29 SER N . 51858 1
242 . 1 . 1 30 30 ARG H H 1 9.064 0.007 . 1 . . . . . 30 ARG H . 51858 1
243 . 1 . 1 30 30 ARG HA H 1 3.956 0.015 . 1 . . . . . 30 ARG HA . 51858 1
244 . 1 . 1 30 30 ARG HG2 H 1 1.516 0.000 . 1 . . . . . 30 ARG HG2 . 51858 1
245 . 1 . 1 30 30 ARG HD2 H 1 3.142 0.000 . 1 . . . . . 30 ARG HD2 . 51858 1
246 . 1 . 1 30 30 ARG HE H 1 9.803 0.000 . 1 . . . . . 30 ARG HE . 51858 1
247 . 1 . 1 30 30 ARG CA C 13 57.895 0.000 . 1 . . . . . 30 ARG CA . 51858 1
248 . 1 . 1 30 30 ARG CB C 13 28.190 0.000 . 1 . . . . . 30 ARG CB . 51858 1
249 . 1 . 1 30 30 ARG N N 15 119.948 0.054 . 1 . . . . . 30 ARG N . 51858 1
250 . 1 . 1 30 30 ARG NE N 15 85.146 0.002 . 1 . . . . . 30 ARG NE . 51858 1
251 . 1 . 1 31 31 SER H H 1 8.393 0.004 . 1 . . . . . 31 SER H . 51858 1
252 . 1 . 1 31 31 SER HA H 1 4.187 0.002 . 1 . . . . . 31 SER HA . 51858 1
253 . 1 . 1 31 31 SER HB2 H 1 3.901 0.000 . 1 . . . . . 31 SER HB2 . 51858 1
254 . 1 . 1 31 31 SER N N 15 114.964 0.057 . 1 . . . . . 31 SER N . 51858 1
255 . 1 . 1 33 33 GLY H H 1 7.587 0.005 . 1 . . . . . 33 GLY H . 51858 1
256 . 1 . 1 33 33 GLY HA2 H 1 3.619 0.011 . 1 . . . . . 33 GLY HA2 . 51858 1
257 . 1 . 1 33 33 GLY CA C 13 44.900 0.006 . 1 . . . . . 33 GLY CA . 51858 1
258 . 1 . 1 33 33 GLY N N 15 104.105 0.142 . 1 . . . . . 33 GLY N . 51858 1
259 . 1 . 1 34 34 LEU H H 1 8.028 0.007 . 1 . . . . . 34 LEU H . 51858 1
260 . 1 . 1 34 34 LEU HA H 1 4.047 0.000 . 1 . . . . . 34 LEU HA . 51858 1
261 . 1 . 1 34 34 LEU HB2 H 1 1.355 0.000 . 1 . . . . . 34 LEU HB2 . 51858 1
262 . 1 . 1 34 34 LEU HG H 1 1.269 0.000 . 1 . . . . . 34 LEU HG . 51858 1
263 . 1 . 1 34 34 LEU HD11 H 1 0.696 0.001 . 1 . . . . . 34 LEU HD11 . 51858 1
264 . 1 . 1 34 34 LEU HD12 H 1 0.696 0.001 . 1 . . . . . 34 LEU HD12 . 51858 1
265 . 1 . 1 34 34 LEU HD13 H 1 0.696 0.001 . 1 . . . . . 34 LEU HD13 . 51858 1
266 . 1 . 1 34 34 LEU N N 15 121.409 0.154 . 1 . . . . . 34 LEU N . 51858 1
267 . 1 . 1 35 35 GLN H H 1 8.008 0.008 . 1 . . . . . 35 GLN H . 51858 1
268 . 1 . 1 35 35 GLN HA H 1 3.742 0.000 . 1 . . . . . 35 GLN HA . 51858 1
269 . 1 . 1 35 35 GLN HG2 H 1 2.529 0.003 . 2 . . . . . 35 GLN HG2 . 51858 1
270 . 1 . 1 35 35 GLN HG3 H 1 2.310 0.016 . 2 . . . . . 35 GLN HG3 . 51858 1
271 . 1 . 1 35 35 GLN HE21 H 1 7.900 0.004 . 1 . . . . . 35 GLN HE21 . 51858 1
272 . 1 . 1 35 35 GLN HE22 H 1 6.783 0.004 . 1 . . . . . 35 GLN HE22 . 51858 1
273 . 1 . 1 35 35 GLN CA C 13 57.218 0.000 . 1 . . . . . 35 GLN CA . 51858 1
274 . 1 . 1 35 35 GLN CB C 13 25.469 0.000 . 1 . . . . . 35 GLN CB . 51858 1
275 . 1 . 1 35 35 GLN N N 15 118.207 0.080 . 1 . . . . . 35 GLN N . 51858 1
276 . 1 . 1 35 35 GLN NE2 N 15 112.235 0.075 . 1 . . . . . 35 GLN NE2 . 51858 1
277 . 1 . 1 42 42 ARG CA C 13 56.053 0.000 . 1 . . . . . 42 ARG CA . 51858 1
278 . 1 . 1 46 46 LEU CA C 13 52.185 0.000 . 1 . . . . . 46 LEU CA . 51858 1
279 . 1 . 1 46 46 LEU CB C 13 40.083 0.000 . 1 . . . . . 46 LEU CB . 51858 1
280 . 1 . 1 50 50 TYR H H 1 7.789 0.010 . 1 . . . . . 50 TYR H . 51858 1
281 . 1 . 1 50 50 TYR N N 15 120.073 0.012 . 1 . . . . . 50 TYR N . 51858 1
282 . 1 . 1 51 51 ALA H H 1 8.032 0.004 . 1 . . . . . 51 ALA H . 51858 1
283 . 1 . 1 51 51 ALA HA H 1 4.023 0.000 . 1 . . . . . 51 ALA HA . 51858 1
284 . 1 . 1 51 51 ALA HB1 H 1 1.281 0.001 . 1 . . . . . 51 ALA HB1 . 51858 1
285 . 1 . 1 51 51 ALA HB2 H 1 1.281 0.001 . 1 . . . . . 51 ALA HB2 . 51858 1
286 . 1 . 1 51 51 ALA HB3 H 1 1.281 0.001 . 1 . . . . . 51 ALA HB3 . 51858 1
287 . 1 . 1 51 51 ALA N N 15 122.963 0.067 . 1 . . . . . 51 ALA N . 51858 1
288 . 1 . 1 52 52 ASN H H 1 8.072 0.009 . 1 . . . . . 52 ASN H . 51858 1
289 . 1 . 1 52 52 ASN HA H 1 4.482 0.003 . 1 . . . . . 52 ASN HA . 51858 1
290 . 1 . 1 52 52 ASN HB2 H 1 2.644 0.001 . 1 . . . . . 52 ASN HB2 . 51858 1
291 . 1 . 1 52 52 ASN HB3 H 1 2.644 0.001 . 1 . . . . . 52 ASN HB3 . 51858 1
292 . 1 . 1 52 52 ASN HD21 H 1 7.645 0.001 . 1 . . . . . 52 ASN HD21 . 51858 1
293 . 1 . 1 52 52 ASN HD22 H 1 6.845 0.000 . 1 . . . . . 52 ASN HD22 . 51858 1
294 . 1 . 1 52 52 ASN N N 15 116.491 0.065 . 1 . . . . . 52 ASN N . 51858 1
295 . 1 . 1 52 52 ASN ND2 N 15 113.372 0.003 . 1 . . . . . 52 ASN ND2 . 51858 1
296 . 1 . 1 53 53 ALA H H 1 7.920 0.000 . 1 . . . . . 53 ALA H . 51858 1
297 . 1 . 1 53 53 ALA N N 15 123.620 0.005 . 1 . . . . . 53 ALA N . 51858 1
298 . 1 . 1 54 54 TRP H H 1 7.902 0.003 . 1 . . . . . 54 TRP H . 51858 1
299 . 1 . 1 54 54 TRP HA H 1 4.262 0.008 . 1 . . . . . 54 TRP HA . 51858 1
300 . 1 . 1 54 54 TRP HB2 H 1 3.158 0.005 . 2 . . . . . 54 TRP HB2 . 51858 1
301 . 1 . 1 54 54 TRP HB3 H 1 3.161 0.000 . 2 . . . . . 54 TRP HB3 . 51858 1
302 . 1 . 1 54 54 TRP HE1 H 1 9.921 0.001 . 1 . . . . . 54 TRP HE1 . 51858 1
303 . 1 . 1 54 54 TRP N N 15 118.485 0.074 . 1 . . . . . 54 TRP N . 51858 1
304 . 1 . 1 54 54 TRP NE1 N 15 128.674 0.026 . 1 . . . . . 54 TRP NE1 . 51858 1
305 . 1 . 1 55 55 GLN H H 1 7.728 0.003 . 1 . . . . . 55 GLN H . 51858 1
306 . 1 . 1 55 55 GLN HA H 1 3.957 0.004 . 1 . . . . . 55 GLN HA . 51858 1
307 . 1 . 1 55 55 GLN HB2 H 1 1.845 0.000 . 1 . . . . . 55 GLN HB2 . 51858 1
308 . 1 . 1 55 55 GLN HB3 H 1 1.845 0.000 . 1 . . . . . 55 GLN HB3 . 51858 1
309 . 1 . 1 55 55 GLN HG2 H 1 2.084 0.000 . 1 . . . . . 55 GLN HG2 . 51858 1
310 . 1 . 1 55 55 GLN HG3 H 1 2.084 0.000 . 1 . . . . . 55 GLN HG3 . 51858 1
311 . 1 . 1 55 55 GLN HE21 H 1 7.281 0.000 . 1 . . . . . 55 GLN HE21 . 51858 1
312 . 1 . 1 55 55 GLN HE22 H 1 6.718 0.000 . 1 . . . . . 55 GLN HE22 . 51858 1
313 . 1 . 1 55 55 GLN N N 15 120.677 0.071 . 1 . . . . . 55 GLN N . 51858 1
314 . 1 . 1 55 55 GLN NE2 N 15 111.326 0.025 . 1 . . . . . 55 GLN NE2 . 51858 1
315 . 1 . 1 57 57 TRP H H 1 8.029 0.003 . 1 . . . . . 57 TRP H . 51858 1
316 . 1 . 1 57 57 TRP HA H 1 4.275 0.000 . 1 . . . . . 57 TRP HA . 51858 1
317 . 1 . 1 57 57 TRP HB2 H 1 3.138 0.000 . 1 . . . . . 57 TRP HB2 . 51858 1
318 . 1 . 1 57 57 TRP HB3 H 1 3.138 0.000 . 1 . . . . . 57 TRP HB3 . 51858 1
319 . 1 . 1 57 57 TRP HE1 H 1 9.877 0.002 . 1 . . . . . 57 TRP HE1 . 51858 1
320 . 1 . 1 57 57 TRP N N 15 121.454 0.096 . 1 . . . . . 57 TRP N . 51858 1
321 . 1 . 1 57 57 TRP NE1 N 15 129.043 0.002 . 1 . . . . . 57 TRP NE1 . 51858 1
322 . 1 . 1 58 58 SER H H 1 7.951 0.008 . 1 . . . . . 58 SER H . 51858 1
323 . 1 . 1 58 58 SER N N 15 116.246 0.040 . 1 . . . . . 58 SER N . 51858 1
324 . 1 . 1 61 61 GLY H H 1 7.963 0.003 . 1 . . . . . 61 GLY H . 51858 1
325 . 1 . 1 61 61 GLY HA2 H 1 3.776 0.000 . 1 . . . . . 61 GLY HA2 . 51858 1
326 . 1 . 1 61 61 GLY CA C 13 42.545 0.001 . 1 . . . . . 61 GLY CA . 51858 1
327 . 1 . 1 61 61 GLY N N 15 107.124 0.004 . 1 . . . . . 61 GLY N . 51858 1
328 . 1 . 1 62 62 ASP H H 1 8.129 0.015 . 1 . . . . . 62 ASP H . 51858 1
329 . 1 . 1 62 62 ASP HA H 1 4.555 0.023 . 1 . . . . . 62 ASP HA . 51858 1
330 . 1 . 1 62 62 ASP HB2 H 1 2.640 0.000 . 1 . . . . . 62 ASP HB2 . 51858 1
331 . 1 . 1 62 62 ASP CA C 13 51.595 0.004 . 1 . . . . . 62 ASP CA . 51858 1
332 . 1 . 1 62 62 ASP CB C 13 38.408 0.004 . 1 . . . . . 62 ASP CB . 51858 1
333 . 1 . 1 62 62 ASP N N 15 120.552 0.010 . 1 . . . . . 62 ASP N . 51858 1
334 . 1 . 1 63 63 THR H H 1 8.016 0.002 . 1 . . . . . 63 THR H . 51858 1
335 . 1 . 1 63 63 THR HA H 1 4.156 0.014 . 1 . . . . . 63 THR HA . 51858 1
336 . 1 . 1 63 63 THR HB H 1 4.359 0.018 . 1 . . . . . 63 THR HB . 51858 1
337 . 1 . 1 63 63 THR HG21 H 1 1.053 0.013 . 1 . . . . . 63 THR HG21 . 51858 1
338 . 1 . 1 63 63 THR HG22 H 1 1.053 0.013 . 1 . . . . . 63 THR HG22 . 51858 1
339 . 1 . 1 63 63 THR HG23 H 1 1.053 0.013 . 1 . . . . . 63 THR HG23 . 51858 1
340 . 1 . 1 63 63 THR CA C 13 59.455 0.018 . 1 . . . . . 63 THR CA . 51858 1
341 . 1 . 1 63 63 THR CB C 13 67.038 0.072 . 1 . . . . . 63 THR CB . 51858 1
342 . 1 . 1 63 63 THR N N 15 113.857 0.058 . 1 . . . . . 63 THR N . 51858 1
343 . 1 . 1 64 64 ASP H H 1 8.251 0.003 . 1 . . . . . 64 ASP H . 51858 1
344 . 1 . 1 64 64 ASP HA H 1 4.480 0.020 . 1 . . . . . 64 ASP HA . 51858 1
345 . 1 . 1 64 64 ASP HB2 H 1 2.510 0.007 . 2 . . . . . 64 ASP HB2 . 51858 1
346 . 1 . 1 64 64 ASP HB3 H 1 2.494 0.019 . 2 . . . . . 64 ASP HB3 . 51858 1
347 . 1 . 1 64 64 ASP CA C 13 52.017 0.051 . 1 . . . . . 64 ASP CA . 51858 1
348 . 1 . 1 64 64 ASP CB C 13 38.377 0.030 . 1 . . . . . 64 ASP CB . 51858 1
349 . 1 . 1 64 64 ASP N N 15 122.587 0.045 . 1 . . . . . 64 ASP N . 51858 1
350 . 1 . 1 65 65 ALA H H 1 8.003 0.003 . 1 . . . . . 65 ALA H . 51858 1
351 . 1 . 1 65 65 ALA HA H 1 4.173 0.021 . 1 . . . . . 65 ALA HA . 51858 1
352 . 1 . 1 65 65 ALA HB1 H 1 1.201 0.022 . 1 . . . . . 65 ALA HB1 . 51858 1
353 . 1 . 1 65 65 ALA HB2 H 1 1.201 0.022 . 1 . . . . . 65 ALA HB2 . 51858 1
354 . 1 . 1 65 65 ALA HB3 H 1 1.201 0.022 . 1 . . . . . 65 ALA HB3 . 51858 1
355 . 1 . 1 65 65 ALA CA C 13 49.984 0.019 . 1 . . . . . 65 ALA CA . 51858 1
356 . 1 . 1 65 65 ALA CB C 13 16.282 0.034 . 1 . . . . . 65 ALA CB . 51858 1
357 . 1 . 1 65 65 ALA N N 15 123.715 0.040 . 1 . . . . . 65 ALA N . 51858 1
358 . 1 . 1 66 66 TRP H H 1 7.958 0.003 . 1 . . . . . 66 TRP H . 51858 1
359 . 1 . 1 66 66 TRP HA H 1 4.516 0.019 . 1 . . . . . 66 TRP HA . 51858 1
360 . 1 . 1 66 66 TRP HB2 H 1 3.187 0.009 . 2 . . . . . 66 TRP HB2 . 51858 1
361 . 1 . 1 66 66 TRP HB3 H 1 3.505 0.000 . 2 . . . . . 66 TRP HB3 . 51858 1
362 . 1 . 1 66 66 TRP HD1 H 1 7.166 0.003 . 1 . . . . . 66 TRP HD1 . 51858 1
363 . 1 . 1 66 66 TRP HE1 H 1 10.030 0.002 . 1 . . . . . 66 TRP HE1 . 51858 1
364 . 1 . 1 66 66 TRP HZ2 H 1 7.345 0.000 . 1 . . . . . 66 TRP HZ2 . 51858 1
365 . 1 . 1 66 66 TRP CA C 13 54.806 0.052 . 1 . . . . . 66 TRP CA . 51858 1
366 . 1 . 1 66 66 TRP CB C 13 26.753 0.049 . 1 . . . . . 66 TRP CB . 51858 1
367 . 1 . 1 66 66 TRP N N 15 120.042 0.061 . 1 . . . . . 66 TRP N . 51858 1
368 . 1 . 1 66 66 TRP NE1 N 15 129.376 0.063 . 1 . . . . . 66 TRP NE1 . 51858 1
369 . 1 . 1 67 67 GLU H H 1 8.067 0.001 . 1 . . . . . 67 GLU H . 51858 1
370 . 1 . 1 67 67 GLU HA H 1 4.043 0.021 . 1 . . . . . 67 GLU HA . 51858 1
371 . 1 . 1 67 67 GLU HB2 H 1 1.874 0.000 . 2 . . . . . 67 GLU HB2 . 51858 1
372 . 1 . 1 67 67 GLU HB3 H 1 1.745 0.000 . 2 . . . . . 67 GLU HB3 . 51858 1
373 . 1 . 1 67 67 GLU HG2 H 1 2.005 0.000 . 1 . . . . . 67 GLU HG2 . 51858 1
374 . 1 . 1 67 67 GLU HG3 H 1 2.005 0.000 . 1 . . . . . 67 GLU HG3 . 51858 1
375 . 1 . 1 67 67 GLU CA C 13 53.914 0.009 . 1 . . . . . 67 GLU CA . 51858 1
376 . 1 . 1 67 67 GLU CB C 13 27.540 0.054 . 1 . . . . . 67 GLU CB . 51858 1
377 . 1 . 1 67 67 GLU N N 15 122.143 0.035 . 1 . . . . . 67 GLU N . 51858 1
378 . 1 . 1 68 68 GLN H H 1 8.124 0.001 . 1 . . . . . 68 GLN H . 51858 1
379 . 1 . 1 68 68 GLN HA H 1 4.200 0.021 . 1 . . . . . 68 GLN HA . 51858 1
380 . 1 . 1 68 68 GLN HB2 H 1 1.987 0.024 . 2 . . . . . 68 GLN HB2 . 51858 1
381 . 1 . 1 68 68 GLN HB3 H 1 1.877 0.010 . 2 . . . . . 68 GLN HB3 . 51858 1
382 . 1 . 1 68 68 GLN HG2 H 1 2.237 0.004 . 2 . . . . . 68 GLN HG2 . 51858 1
383 . 1 . 1 68 68 GLN HG3 H 1 2.241 0.000 . 2 . . . . . 68 GLN HG3 . 51858 1
384 . 1 . 1 68 68 GLN HE21 H 1 7.443 0.001 . 1 . . . . . 68 GLN HE21 . 51858 1
385 . 1 . 1 68 68 GLN HE22 H 1 6.760 0.002 . 1 . . . . . 68 GLN HE22 . 51858 1
386 . 1 . 1 68 68 GLN CA C 13 53.171 0.026 . 1 . . . . . 68 GLN CA . 51858 1
387 . 1 . 1 68 68 GLN CB C 13 26.678 0.026 . 1 . . . . . 68 GLN CB . 51858 1
388 . 1 . 1 68 68 GLN CG C 13 31.017 0.003 . 1 . . . . . 68 GLN CG . 51858 1
389 . 1 . 1 68 68 GLN N N 15 121.003 0.037 . 1 . . . . . 68 GLN N . 51858 1
390 . 1 . 1 68 68 GLN NE2 N 15 111.909 0.050 . 1 . . . . . 68 GLN NE2 . 51858 1
391 . 1 . 1 69 69 THR H H 1 8.150 0.006 . 1 . . . . . 69 THR H . 51858 1
392 . 1 . 1 69 69 THR HA H 1 4.257 0.016 . 1 . . . . . 69 THR HA . 51858 1
393 . 1 . 1 69 69 THR HB H 1 4.099 0.012 . 1 . . . . . 69 THR HB . 51858 1
394 . 1 . 1 69 69 THR HG21 H 1 1.100 0.003 . 1 . . . . . 69 THR HG21 . 51858 1
395 . 1 . 1 69 69 THR HG22 H 1 1.100 0.003 . 1 . . . . . 69 THR HG22 . 51858 1
396 . 1 . 1 69 69 THR HG23 H 1 1.100 0.003 . 1 . . . . . 69 THR HG23 . 51858 1
397 . 1 . 1 69 69 THR CA C 13 59.330 0.031 . 1 . . . . . 69 THR CA . 51858 1
398 . 1 . 1 69 69 THR CB C 13 67.149 0.084 . 1 . . . . . 69 THR CB . 51858 1
399 . 1 . 1 69 69 THR N N 15 116.216 0.033 . 1 . . . . . 69 THR N . 51858 1
400 . 1 . 1 70 70 VAL H H 1 8.116 0.004 . 1 . . . . . 70 VAL H . 51858 1
401 . 1 . 1 70 70 VAL HA H 1 4.042 0.020 . 1 . . . . . 70 VAL HA . 51858 1
402 . 1 . 1 70 70 VAL HB H 1 1.959 0.023 . 1 . . . . . 70 VAL HB . 51858 1
403 . 1 . 1 70 70 VAL HG11 H 1 0.839 0.000 . 1 . . . . . 70 VAL HG11 . 51858 1
404 . 1 . 1 70 70 VAL HG12 H 1 0.839 0.000 . 1 . . . . . 70 VAL HG12 . 51858 1
405 . 1 . 1 70 70 VAL HG13 H 1 0.839 0.000 . 1 . . . . . 70 VAL HG13 . 51858 1
406 . 1 . 1 70 70 VAL HG21 H 1 0.839 0.000 . 1 . . . . . 70 VAL HG21 . 51858 1
407 . 1 . 1 70 70 VAL HG22 H 1 0.839 0.000 . 1 . . . . . 70 VAL HG22 . 51858 1
408 . 1 . 1 70 70 VAL HG23 H 1 0.839 0.000 . 1 . . . . . 70 VAL HG23 . 51858 1
409 . 1 . 1 70 70 VAL CA C 13 59.670 0.051 . 1 . . . . . 70 VAL CA . 51858 1
410 . 1 . 1 70 70 VAL CB C 13 30.054 0.019 . 1 . . . . . 70 VAL CB . 51858 1
411 . 1 . 1 70 70 VAL N N 15 122.394 0.038 . 1 . . . . . 70 VAL N . 51858 1
412 . 1 . 1 71 71 GLY H H 1 8.324 0.002 . 1 . . . . . 71 GLY H . 51858 1
413 . 1 . 1 71 71 GLY HA2 H 1 3.891 0.002 . 1 . . . . . 71 GLY HA2 . 51858 1
414 . 1 . 1 71 71 GLY HA3 H 1 3.891 0.002 . 1 . . . . . 71 GLY HA3 . 51858 1
415 . 1 . 1 71 71 GLY CA C 13 42.504 0.003 . 1 . . . . . 71 GLY CA . 51858 1
416 . 1 . 1 71 71 GLY N N 15 112.374 0.039 . 1 . . . . . 71 GLY N . 51858 1
417 . 1 . 1 72 72 ASP H H 1 8.216 0.000 . 1 . . . . . 72 ASP H . 51858 1
418 . 1 . 1 72 72 ASP CA C 13 51.703 0.015 . 1 . . . . . 72 ASP CA . 51858 1
419 . 1 . 1 72 72 ASP CB C 13 38.510 0.020 . 1 . . . . . 72 ASP CB . 51858 1
420 . 1 . 1 72 72 ASP N N 15 120.407 0.036 . 1 . . . . . 72 ASP N . 51858 1
421 . 1 . 1 73 73 GLY H H 1 8.392 0.001 . 1 . . . . . 73 GLY H . 51858 1
422 . 1 . 1 73 73 GLY HA2 H 1 3.878 0.001 . 1 . . . . . 73 GLY HA2 . 51858 1
423 . 1 . 1 73 73 GLY HA3 H 1 3.878 0.001 . 1 . . . . . 73 GLY HA3 . 51858 1
424 . 1 . 1 73 73 GLY CA C 13 42.732 0.012 . 1 . . . . . 73 GLY CA . 51858 1
425 . 1 . 1 73 73 GLY N N 15 109.372 0.035 . 1 . . . . . 73 GLY N . 51858 1
426 . 1 . 1 74 74 VAL H H 1 7.943 0.001 . 1 . . . . . 74 VAL H . 51858 1
427 . 1 . 1 74 74 VAL HA H 1 4.022 0.024 . 1 . . . . . 74 VAL HA . 51858 1
428 . 1 . 1 74 74 VAL HB H 1 2.037 0.000 . 1 . . . . . 74 VAL HB . 51858 1
429 . 1 . 1 74 74 VAL HG11 H 1 0.834 0.003 . 2 . . . . . 74 VAL HG11 . 51858 1
430 . 1 . 1 74 74 VAL HG12 H 1 0.834 0.003 . 2 . . . . . 74 VAL HG12 . 51858 1
431 . 1 . 1 74 74 VAL HG13 H 1 0.834 0.003 . 2 . . . . . 74 VAL HG13 . 51858 1
432 . 1 . 1 74 74 VAL HG21 H 1 0.838 0.000 . 2 . . . . . 74 VAL HG21 . 51858 1
433 . 1 . 1 74 74 VAL HG22 H 1 0.838 0.000 . 2 . . . . . 74 VAL HG22 . 51858 1
434 . 1 . 1 74 74 VAL HG23 H 1 0.838 0.000 . 2 . . . . . 74 VAL HG23 . 51858 1
435 . 1 . 1 74 74 VAL CA C 13 59.983 0.056 . 1 . . . . . 74 VAL CA . 51858 1
436 . 1 . 1 74 74 VAL CB C 13 29.748 0.048 . 1 . . . . . 74 VAL CB . 51858 1
437 . 1 . 1 74 74 VAL N N 15 119.211 0.083 . 1 . . . . . 74 VAL N . 51858 1
438 . 1 . 1 75 75 GLY H H 1 8.432 0.001 . 1 . . . . . 75 GLY H . 51858 1
439 . 1 . 1 75 75 GLY HA2 H 1 3.879 0.000 . 1 . . . . . 75 GLY HA2 . 51858 1
440 . 1 . 1 75 75 GLY HA3 H 1 3.879 0.000 . 1 . . . . . 75 GLY HA3 . 51858 1
441 . 1 . 1 75 75 GLY CA C 13 42.523 0.006 . 1 . . . . . 75 GLY CA . 51858 1
442 . 1 . 1 75 75 GLY N N 15 112.158 0.032 . 1 . . . . . 75 GLY N . 51858 1
443 . 1 . 1 76 76 ASP H H 1 8.095 0.006 . 1 . . . . . 76 ASP H . 51858 1
444 . 1 . 1 76 76 ASP CA C 13 51.283 0.036 . 1 . . . . . 76 ASP CA . 51858 1
445 . 1 . 1 76 76 ASP CB C 13 38.541 0.005 . 1 . . . . . 76 ASP CB . 51858 1
446 . 1 . 1 76 76 ASP N N 15 120.482 0.023 . 1 . . . . . 76 ASP N . 51858 1
447 . 1 . 1 77 77 ALA H H 1 8.063 0.001 . 1 . . . . . 77 ALA H . 51858 1
448 . 1 . 1 77 77 ALA HA H 1 4.474 0.022 . 1 . . . . . 77 ALA HA . 51858 1
449 . 1 . 1 77 77 ALA HB1 H 1 1.256 0.022 . 1 . . . . . 77 ALA HB1 . 51858 1
450 . 1 . 1 77 77 ALA HB2 H 1 1.256 0.022 . 1 . . . . . 77 ALA HB2 . 51858 1
451 . 1 . 1 77 77 ALA HB3 H 1 1.256 0.022 . 1 . . . . . 77 ALA HB3 . 51858 1
452 . 1 . 1 77 77 ALA CA C 13 47.860 0.033 . 1 . . . . . 77 ALA CA . 51858 1
453 . 1 . 1 77 77 ALA CB C 13 15.490 0.021 . 1 . . . . . 77 ALA CB . 51858 1
454 . 1 . 1 77 77 ALA N N 15 125.216 0.032 . 1 . . . . . 77 ALA N . 51858 1
455 . 1 . 1 78 78 PRO HA H 1 4.295 0.017 . 1 . . . . . 78 PRO HA . 51858 1
456 . 1 . 1 78 78 PRO CA C 13 60.612 0.028 . 1 . . . . . 78 PRO CA . 51858 1
457 . 1 . 1 78 78 PRO CB C 13 29.146 0.000 . 1 . . . . . 78 PRO CB . 51858 1
458 . 1 . 1 79 79 ARG H H 1 7.935 0.002 . 1 . . . . . 79 ARG H . 51858 1
459 . 1 . 1 79 79 ARG HA H 1 4.081 0.022 . 1 . . . . . 79 ARG HA . 51858 1
460 . 1 . 1 79 79 ARG HB2 H 1 1.786 0.021 . 2 . . . . . 79 ARG HB2 . 51858 1
461 . 1 . 1 79 79 ARG HB3 H 1 1.741 0.024 . 2 . . . . . 79 ARG HB3 . 51858 1
462 . 1 . 1 79 79 ARG HG2 H 1 1.617 0.007 . 2 . . . . . 79 ARG HG2 . 51858 1
463 . 1 . 1 79 79 ARG HG3 H 1 1.542 0.000 . 2 . . . . . 79 ARG HG3 . 51858 1
464 . 1 . 1 79 79 ARG HD2 H 1 3.098 0.000 . 1 . . . . . 79 ARG HD2 . 51858 1
465 . 1 . 1 79 79 ARG HD3 H 1 3.098 0.000 . 1 . . . . . 79 ARG HD3 . 51858 1
466 . 1 . 1 79 79 ARG CA C 13 54.598 0.051 . 1 . . . . . 79 ARG CA . 51858 1
467 . 1 . 1 79 79 ARG CB C 13 28.869 0.010 . 1 . . . . . 79 ARG CB . 51858 1
468 . 1 . 1 79 79 ARG N N 15 126.639 0.050 . 1 . . . . . 79 ARG N . 51858 1
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