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 50752
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name psd95nt_shifts_amb.str
_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
2 '3D CBCA(CO)NH' . . . 50752 1
3 '3D HNCACB' . . . 50752 1
4 '3D HNCO' . . . 50752 1
5 '3D HBHA(CO)NH' . . . 50752 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 . . 50752 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 SER H H 1 8.848 0.002 . 1 . . . . . 0 SER NH . 50752 1
2 . 1 . 1 2 2 SER HA H 1 4.450 0.009 . 1 . . . . . 0 SER HA . 50752 1
3 . 1 . 1 2 2 SER HB2 H 1 3.910 0.003 . 2 . . . . . 0 SER HB2 . 50752 1
4 . 1 . 1 2 2 SER HB3 H 1 3.910 0.003 . 2 . . . . . 0 SER HB3 . 50752 1
5 . 1 . 1 2 2 SER C C 13 174.996 0.000 . 1 . . . . . 0 SER CO . 50752 1
6 . 1 . 1 2 2 SER CA C 13 59.111 0.069 . 1 . . . . . 0 SER CA . 50752 1
7 . 1 . 1 2 2 SER CB C 13 63.813 0.030 . 1 . . . . . 0 SER CB . 50752 1
8 . 1 . 1 2 2 SER N N 15 116.568 0.019 . 1 . . . . . 0 SER N . 50752 1
9 . 1 . 1 3 3 MET H H 1 8.718 0.001 . 1 . . . . . 1 MET NH . 50752 1
10 . 1 . 1 3 3 MET HA H 1 4.577 0.006 . 1 . . . . . 1 MET HA . 50752 1
11 . 1 . 1 3 3 MET HB2 H 1 2.588 0.000 . 2 . . . . . 1 MET HB2 . 50752 1
12 . 1 . 1 3 3 MET HB3 H 1 2.588 0.000 . 2 . . . . . 1 MET HB3 . 50752 1
13 . 1 . 1 3 3 MET C C 13 176.191 0.000 . 1 . . . . . 1 MET CO . 50752 1
14 . 1 . 1 3 3 MET CA C 13 55.608 0.190 . 1 . . . . . 1 MET CA . 50752 1
15 . 1 . 1 3 3 MET CB C 13 32.082 0.100 . 1 . . . . . 1 MET CB . 50752 1
16 . 1 . 1 3 3 MET N N 15 122.007 0.022 . 1 . . . . . 1 MET N . 50752 1
17 . 1 . 1 4 4 ASP H H 1 8.235 0.002 . 1 . . . . . 2 ASP NH . 50752 1
18 . 1 . 1 4 4 ASP HA H 1 4.596 0.009 . 1 . . . . . 2 ASP HA . 50752 1
19 . 1 . 1 4 4 ASP HB2 H 1 2.699 0.004 . 2 . . . . . 2 ASP HB2 . 50752 1
20 . 1 . 1 4 4 ASP HB3 H 1 2.699 0.004 . 2 . . . . . 2 ASP HB3 . 50752 1
21 . 1 . 1 4 4 ASP C C 13 176.182 0.000 . 1 . . . . . 2 ASP CO . 50752 1
22 . 1 . 1 4 4 ASP CA C 13 54.811 0.025 . 1 . . . . . 2 ASP CA . 50752 1
23 . 1 . 1 4 4 ASP CB C 13 40.863 0.024 . 1 . . . . . 2 ASP CB . 50752 1
24 . 1 . 1 4 4 ASP N N 15 121.576 0.040 . 1 . . . . . 2 ASP N . 50752 1
25 . 1 . 1 5 5 CYS H H 1 8.329 0.003 . 1 . . . . . 3 CYS NH . 50752 1
26 . 1 . 1 5 5 CYS HA H 1 4.497 0.002 . 1 . . . . . 3 CYS HA . 50752 1
27 . 1 . 1 5 5 CYS HB2 H 1 2.948 0.007 . 2 . . . . . 3 CYS HB2 . 50752 1
28 . 1 . 1 5 5 CYS HB3 H 1 2.948 0.007 . 2 . . . . . 3 CYS HB3 . 50752 1
29 . 1 . 1 5 5 CYS C C 13 174.542 0.000 . 1 . . . . . 3 CYS CO . 50752 1
30 . 1 . 1 5 5 CYS CA C 13 58.575 0.008 . 1 . . . . . 3 CYS CA . 50752 1
31 . 1 . 1 5 5 CYS CB C 13 27.810 0.004 . 1 . . . . . 3 CYS CB . 50752 1
32 . 1 . 1 5 5 CYS N N 15 119.577 0.025 . 1 . . . . . 3 CYS N . 50752 1
33 . 1 . 1 6 6 LEU H H 1 8.381 0.001 . 1 . . . . . 4 LEU NH . 50752 1
34 . 1 . 1 6 6 LEU HA H 1 4.357 0.000 . 1 . . . . . 4 LEU HA . 50752 1
35 . 1 . 1 6 6 LEU HB2 H 1 1.627 0.000 . 2 . . . . . 4 LEU HB2 . 50752 1
36 . 1 . 1 6 6 LEU HB3 H 1 1.627 0.000 . 2 . . . . . 4 LEU HB3 . 50752 1
37 . 1 . 1 6 6 LEU C C 13 177.161 0.000 . 1 . . . . . 4 LEU CO . 50752 1
38 . 1 . 1 6 6 LEU CA C 13 55.333 0.074 . 1 . . . . . 4 LEU CA . 50752 1
39 . 1 . 1 6 6 LEU CB C 13 42.248 0.013 . 1 . . . . . 4 LEU CB . 50752 1
40 . 1 . 1 6 6 LEU N N 15 124.675 0.028 . 1 . . . . . 4 LEU N . 50752 1
41 . 1 . 1 7 7 CYS H H 1 8.355 0.001 . 1 . . . . . 5 CYS NH . 50752 1
42 . 1 . 1 7 7 CYS HA H 1 4.500 0.000 . 1 . . . . . 5 CYS HA . 50752 1
43 . 1 . 1 7 7 CYS HB2 H 1 2.889 0.000 . 2 . . . . . 5 CYS HB2 . 50752 1
44 . 1 . 1 7 7 CYS HB3 H 1 2.889 0.000 . 2 . . . . . 5 CYS HB3 . 50752 1
45 . 1 . 1 7 7 CYS C C 13 174.320 0.000 . 1 . . . . . 5 CYS CO . 50752 1
46 . 1 . 1 7 7 CYS CA C 13 58.498 0.002 . 1 . . . . . 5 CYS CA . 50752 1
47 . 1 . 1 7 7 CYS CB C 13 27.769 0.001 . 1 . . . . . 5 CYS CB . 50752 1
48 . 1 . 1 7 7 CYS N N 15 121.101 0.022 . 1 . . . . . 5 CYS N . 50752 1
49 . 1 . 1 8 8 ILE H H 1 8.333 0.003 . 1 . . . . . 6 ILE NH . 50752 1
50 . 1 . 1 8 8 ILE HA H 1 4.205 0.001 . 1 . . . . . 6 ILE HA . 50752 1
51 . 1 . 1 8 8 ILE HB H 1 1.860 0.006 . 1 . . . . . 6 ILE HB . 50752 1
52 . 1 . 1 8 8 ILE C C 13 176.212 0.000 . 1 . . . . . 6 ILE CO . 50752 1
53 . 1 . 1 8 8 ILE CA C 13 61.204 0.085 . 1 . . . . . 6 ILE CA . 50752 1
54 . 1 . 1 8 8 ILE CB C 13 38.540 0.060 . 1 . . . . . 6 ILE CB . 50752 1
55 . 1 . 1 8 8 ILE N N 15 124.735 0.024 . 1 . . . . . 6 ILE N . 50752 1
56 . 1 . 1 9 9 VAL H H 1 8.415 0.005 . 1 . . . . . 7 VAL NH . 50752 1
57 . 1 . 1 9 9 VAL HA H 1 4.190 0.008 . 1 . . . . . 7 VAL HA . 50752 1
58 . 1 . 1 9 9 VAL HB H 1 2.058 0.023 . 1 . . . . . 7 VAL HB . 50752 1
59 . 1 . 1 9 9 VAL C C 13 176.363 0.000 . 1 . . . . . 7 VAL CO . 50752 1
60 . 1 . 1 9 9 VAL CA C 13 62.278 0.015 . 1 . . . . . 7 VAL CA . 50752 1
61 . 1 . 1 9 9 VAL CB C 13 32.709 0.034 . 1 . . . . . 7 VAL CB . 50752 1
62 . 1 . 1 9 9 VAL N N 15 126.157 0.125 . 1 . . . . . 7 VAL N . 50752 1
63 . 1 . 1 10 10 THR H H 1 8.422 0.001 . 1 . . . . . 8 THR NH . 50752 1
64 . 1 . 1 10 10 THR HA H 1 4.436 0.000 . 1 . . . . . 8 THR HA . 50752 1
65 . 1 . 1 10 10 THR HB H 1 4.230 0.012 . 1 . . . . . 8 THR HB . 50752 1
66 . 1 . 1 10 10 THR C C 13 174.548 0.000 . 1 . . . . . 8 THR CO . 50752 1
67 . 1 . 1 10 10 THR CA C 13 61.901 0.182 . 1 . . . . . 8 THR CA . 50752 1
68 . 1 . 1 10 10 THR CB C 13 69.764 0.091 . 1 . . . . . 8 THR CB . 50752 1
69 . 1 . 1 10 10 THR N N 15 119.489 0.029 . 1 . . . . . 8 THR N . 50752 1
70 . 1 . 1 11 11 THR H H 1 8.218 0.001 . 1 . . . . . 9 THR NH . 50752 1
71 . 1 . 1 11 11 THR HA H 1 4.262 0.051 . 1 . . . . . 9 THR HA . 50752 1
72 . 1 . 1 11 11 THR C C 13 174.324 0.000 . 1 . . . . . 9 THR CO . 50752 1
73 . 1 . 1 11 11 THR CA C 13 62.103 0.183 . 1 . . . . . 9 THR CA . 50752 1
74 . 1 . 1 11 11 THR CB C 13 69.813 0.061 . 1 . . . . . 9 THR CB . 50752 1
75 . 1 . 1 11 11 THR N N 15 117.509 0.038 . 1 . . . . . 9 THR N . 50752 1
76 . 1 . 1 12 12 LYS H H 1 8.407 0.002 . 1 . . . . . 10 LYS NH . 50752 1
77 . 1 . 1 12 12 LYS HA H 1 4.262 0.000 . 1 . . . . . 10 LYS HA . 50752 1
78 . 1 . 1 12 12 LYS HB2 H 1 1.679 0.000 . 2 . . . . . 10 LYS HB2 . 50752 1
79 . 1 . 1 12 12 LYS HB3 H 1 1.679 0.000 . 2 . . . . . 10 LYS HB3 . 50752 1
80 . 1 . 1 12 12 LYS C C 13 176.037 0.000 . 1 . . . . . 10 LYS CO . 50752 1
81 . 1 . 1 12 12 LYS CA C 13 56.439 0.002 . 1 . . . . . 10 LYS CA . 50752 1
82 . 1 . 1 12 12 LYS CB C 13 32.987 0.005 . 1 . . . . . 10 LYS CB . 50752 1
83 . 1 . 1 12 12 LYS N N 15 124.888 0.046 . 1 . . . . . 10 LYS N . 50752 1
84 . 1 . 1 13 13 LYS H H 1 8.363 0.002 . 1 . . . . . 11 LYS NH . 50752 1
85 . 1 . 1 13 13 LYS HA H 1 4.290 0.022 . 1 . . . . . 11 LYS HA . 50752 1
86 . 1 . 1 13 13 LYS HB2 H 1 1.654 0.006 . 2 . . . . . 11 LYS HB2 . 50752 1
87 . 1 . 1 13 13 LYS HB3 H 1 1.654 0.006 . 2 . . . . . 11 LYS HB3 . 50752 1
88 . 1 . 1 13 13 LYS C C 13 175.896 0.000 . 1 . . . . . 11 LYS CO . 50752 1
89 . 1 . 1 13 13 LYS CA C 13 56.102 0.221 . 1 . . . . . 11 LYS CA . 50752 1
90 . 1 . 1 13 13 LYS CB C 13 33.223 0.033 . 1 . . . . . 11 LYS CB . 50752 1
91 . 1 . 1 13 13 LYS N N 15 123.688 0.037 . 1 . . . . . 11 LYS N . 50752 1
92 . 1 . 1 14 14 TYR H H 1 8.324 0.001 . 1 . . . . . 12 TYR NH . 50752 1
93 . 1 . 1 14 14 TYR HA H 1 4.515 0.000 . 1 . . . . . 12 TYR HA . 50752 1
94 . 1 . 1 14 14 TYR HB2 H 1 2.884 0.010 . 2 . . . . . 12 TYR HB2 . 50752 1
95 . 1 . 1 14 14 TYR HB3 H 1 2.884 0.010 . 2 . . . . . 12 TYR HB3 . 50752 1
96 . 1 . 1 14 14 TYR C C 13 175.401 0.000 . 1 . . . . . 12 TYR CO . 50752 1
97 . 1 . 1 14 14 TYR CA C 13 57.880 0.115 . 1 . . . . . 12 TYR CA . 50752 1
98 . 1 . 1 14 14 TYR CB C 13 39.125 0.001 . 1 . . . . . 12 TYR CB . 50752 1
99 . 1 . 1 14 14 TYR N N 15 122.332 0.040 . 1 . . . . . 12 TYR N . 50752 1
100 . 1 . 1 15 15 ARG H H 1 8.277 0.002 . 1 . . . . . 13 ARG NH . 50752 1
101 . 1 . 1 15 15 ARG HA H 1 4.234 0.008 . 1 . . . . . 13 ARG HA . 50752 1
102 . 1 . 1 15 15 ARG HB2 H 1 1.652 0.007 . 2 . . . . . 13 ARG HB2 . 50752 1
103 . 1 . 1 15 15 ARG HB3 H 1 1.652 0.007 . 2 . . . . . 13 ARG HB3 . 50752 1
104 . 1 . 1 15 15 ARG C C 13 175.569 0.000 . 1 . . . . . 13 ARG CO . 50752 1
105 . 1 . 1 15 15 ARG CA C 13 55.904 0.064 . 1 . . . . . 13 ARG CA . 50752 1
106 . 1 . 1 15 15 ARG CB C 13 31.003 0.021 . 1 . . . . . 13 ARG CB . 50752 1
107 . 1 . 1 15 15 ARG N N 15 123.855 0.038 . 1 . . . . . 13 ARG N . 50752 1
108 . 1 . 1 16 16 TYR H H 1 8.246 0.002 . 1 . . . . . 14 TYR NH . 50752 1
109 . 1 . 1 16 16 TYR HA H 1 4.460 0.031 . 1 . . . . . 14 TYR HA . 50752 1
110 . 1 . 1 16 16 TYR HB2 H 1 3.008 0.003 . 2 . . . . . 14 TYR HB2 . 50752 1
111 . 1 . 1 16 16 TYR HB3 H 1 3.008 0.003 . 2 . . . . . 14 TYR HB3 . 50752 1
112 . 1 . 1 16 16 TYR C C 13 176.611 0.000 . 1 . . . . . 14 TYR CO . 50752 1
113 . 1 . 1 16 16 TYR CA C 13 58.305 0.019 . 1 . . . . . 14 TYR CA . 50752 1
114 . 1 . 1 16 16 TYR CB C 13 38.423 0.003 . 1 . . . . . 14 TYR CB . 50752 1
115 . 1 . 1 16 16 TYR N N 15 122.130 0.043 . 1 . . . . . 14 TYR N . 50752 1
116 . 1 . 1 17 17 GLN H H 1 8.334 0.002 . 1 . . . . . 15 GLN NH . 50752 1
117 . 1 . 1 17 17 GLN HA H 1 4.215 0.000 . 1 . . . . . 15 GLN HA . 50752 1
118 . 1 . 1 17 17 GLN HB2 H 1 1.970 0.000 . 2 . . . . . 15 GLN HB2 . 50752 1
119 . 1 . 1 17 17 GLN HB3 H 1 1.970 0.000 . 2 . . . . . 15 GLN HB3 . 50752 1
120 . 1 . 1 17 17 GLN C C 13 175.323 0.000 . 1 . . . . . 15 GLN CO . 50752 1
121 . 1 . 1 17 17 GLN CA C 13 56.180 0.019 . 1 . . . . . 15 GLN CA . 50752 1
122 . 1 . 1 17 17 GLN CB C 13 29.424 0.006 . 1 . . . . . 15 GLN CB . 50752 1
123 . 1 . 1 17 17 GLN N N 15 121.927 0.029 . 1 . . . . . 15 GLN N . 50752 1
124 . 1 . 1 18 18 ASP H H 1 8.331 0.003 . 1 . . . . . 16 ASP NH . 50752 1
125 . 1 . 1 18 18 ASP HA H 1 4.549 0.004 . 1 . . . . . 16 ASP HA . 50752 1
126 . 1 . 1 18 18 ASP HB2 H 1 2.713 0.001 . 2 . . . . . 16 ASP HB2 . 50752 1
127 . 1 . 1 18 18 ASP HB3 H 1 2.713 0.001 . 2 . . . . . 16 ASP HB3 . 50752 1
128 . 1 . 1 18 18 ASP C C 13 176.197 0.000 . 1 . . . . . 16 ASP CO . 50752 1
129 . 1 . 1 18 18 ASP CA C 13 54.719 0.004 . 1 . . . . . 16 ASP CA . 50752 1
130 . 1 . 1 18 18 ASP CB C 13 40.731 0.019 . 1 . . . . . 16 ASP CB . 50752 1
131 . 1 . 1 18 18 ASP N N 15 121.451 0.057 . 1 . . . . . 16 ASP N . 50752 1
132 . 1 . 1 19 19 GLU H H 1 8.351 0.002 . 1 . . . . . 17 GLU NH . 50752 1
133 . 1 . 1 19 19 GLU HA H 1 4.289 0.000 . 1 . . . . . 17 GLU HA . 50752 1
134 . 1 . 1 19 19 GLU HB2 H 1 2.021 0.052 . 2 . . . . . 17 GLU HB2 . 50752 1
135 . 1 . 1 19 19 GLU HB3 H 1 2.021 0.052 . 2 . . . . . 17 GLU HB3 . 50752 1
136 . 1 . 1 19 19 GLU C C 13 176.085 0.000 . 1 . . . . . 17 GLU CO . 50752 1
137 . 1 . 1 19 19 GLU CA C 13 56.556 0.001 . 1 . . . . . 17 GLU CA . 50752 1
138 . 1 . 1 19 19 GLU CB C 13 29.905 0.024 . 1 . . . . . 17 GLU CB . 50752 1
139 . 1 . 1 19 19 GLU N N 15 120.768 0.036 . 1 . . . . . 17 GLU N . 50752 1
140 . 1 . 1 20 20 ASP H H 1 8.467 0.002 . 1 . . . . . 18 ASP NH . 50752 1
141 . 1 . 1 20 20 ASP HA H 1 4.660 0.010 . 1 . . . . . 18 ASP HA . 50752 1
142 . 1 . 1 20 20 ASP HB2 H 1 2.692 0.000 . 2 . . . . . 18 ASP HB2 . 50752 1
143 . 1 . 1 20 20 ASP HB3 H 1 2.692 0.000 . 2 . . . . . 18 ASP HB3 . 50752 1
144 . 1 . 1 20 20 ASP C C 13 175.879 0.000 . 1 . . . . . 18 ASP CO . 50752 1
145 . 1 . 1 20 20 ASP CA C 13 54.354 0.026 . 1 . . . . . 18 ASP CA . 50752 1
146 . 1 . 1 20 20 ASP CB C 13 40.764 0.015 . 1 . . . . . 18 ASP CB . 50752 1
147 . 1 . 1 20 20 ASP N N 15 121.500 0.052 . 1 . . . . . 18 ASP N . 50752 1
148 . 1 . 1 21 21 THR H H 1 8.094 0.002 . 1 . . . . . 19 THR NH . 50752 1
149 . 1 . 1 21 21 THR HA H 1 4.553 0.000 . 1 . . . . . 19 THR HA . 50752 1
150 . 1 . 1 21 21 THR HB H 1 4.108 0.000 . 1 . . . . . 19 THR HB . 50752 1
151 . 1 . 1 21 21 THR C C 13 174.457 0.000 . 1 . . . . . 19 THR CO . 50752 1
152 . 1 . 1 21 21 THR CA C 13 60.027 0.000 . 1 . . . . . 19 THR CA . 50752 1
153 . 1 . 1 21 21 THR CB C 13 69.861 0.000 . 1 . . . . . 19 THR CB . 50752 1
154 . 1 . 1 21 21 THR N N 15 117.593 0.047 . 1 . . . . . 19 THR N . 50752 1
155 . 1 . 1 23 23 PRO HA H 1 4.398 0.000 . 1 . . . . . 21 PRO HA . 50752 1
156 . 1 . 1 23 23 PRO HB2 H 1 1.916 0.000 . 2 . . . . . 21 PRO HB2 . 50752 1
157 . 1 . 1 23 23 PRO HB3 H 1 2.263 0.000 . 2 . . . . . 21 PRO HB3 . 50752 1
158 . 1 . 1 23 23 PRO C C 13 176.895 0.000 . 1 . . . . . 21 PRO CO . 50752 1
159 . 1 . 1 23 23 PRO CA C 13 62.800 0.000 . 1 . . . . . 21 PRO CA . 50752 1
160 . 1 . 1 23 23 PRO CB C 13 31.889 0.000 . 1 . . . . . 21 PRO CB . 50752 1
161 . 1 . 1 24 24 LEU H H 1 8.398 0.004 . 1 . . . . . 22 LEU NH . 50752 1
162 . 1 . 1 24 24 LEU HA H 1 4.344 0.000 . 1 . . . . . 22 LEU HA . 50752 1
163 . 1 . 1 24 24 LEU HB2 H 1 1.586 0.003 . 2 . . . . . 22 LEU HB2 . 50752 1
164 . 1 . 1 24 24 LEU HB3 H 1 1.586 0.003 . 2 . . . . . 22 LEU HB3 . 50752 1
165 . 1 . 1 24 24 LEU C C 13 176.197 0.000 . 1 . . . . . 22 LEU CO . 50752 1
166 . 1 . 1 24 24 LEU CA C 13 55.377 0.075 . 1 . . . . . 22 LEU CA . 50752 1
167 . 1 . 1 24 24 LEU CB C 13 42.430 0.059 . 1 . . . . . 22 LEU CB . 50752 1
168 . 1 . 1 24 24 LEU N N 15 122.715 0.111 . 1 . . . . . 22 LEU N . 50752 1
169 . 1 . 1 25 25 GLU H H 1 8.410 0.002 . 1 . . . . . 23 GLU NH . 50752 1
170 . 1 . 1 25 25 GLU HA H 1 4.257 0.043 . 1 . . . . . 23 GLU HA . 50752 1
171 . 1 . 1 25 25 GLU HB2 H 1 1.922 0.000 . 2 . . . . . 23 GLU HB2 . 50752 1
172 . 1 . 1 25 25 GLU HB3 H 1 1.922 0.000 . 2 . . . . . 23 GLU HB3 . 50752 1
173 . 1 . 1 25 25 GLU C C 13 176.075 0.000 . 1 . . . . . 23 GLU CO . 50752 1
174 . 1 . 1 25 25 GLU CA C 13 56.443 0.049 . 1 . . . . . 23 GLU CA . 50752 1
175 . 1 . 1 25 25 GLU CB C 13 29.792 0.285 . 1 . . . . . 23 GLU CB . 50752 1
176 . 1 . 1 25 25 GLU N N 15 122.312 0.069 . 1 . . . . . 23 GLU N . 50752 1
177 . 1 . 1 26 26 HIS H H 1 8.601 0.001 . 1 . . . . . 24 HIS NH . 50752 1
178 . 1 . 1 26 26 HIS HA H 1 4.723 0.007 . 1 . . . . . 24 HIS HA . 50752 1
179 . 1 . 1 26 26 HIS HB2 H 1 3.205 0.000 . 2 . . . . . 24 HIS HB2 . 50752 1
180 . 1 . 1 26 26 HIS HB3 H 1 3.205 0.000 . 2 . . . . . 24 HIS HB3 . 50752 1
181 . 1 . 1 26 26 HIS C C 13 174.138 0.000 . 1 . . . . . 24 HIS CO . 50752 1
182 . 1 . 1 26 26 HIS CA C 13 54.927 0.012 . 1 . . . . . 24 HIS CA . 50752 1
183 . 1 . 1 26 26 HIS CB C 13 29.003 0.011 . 1 . . . . . 24 HIS CB . 50752 1
184 . 1 . 1 26 26 HIS N N 15 119.702 0.020 . 1 . . . . . 24 HIS N . 50752 1
185 . 1 . 1 27 27 SER H H 1 8.529 0.002 . 1 . . . . . 25 SER NH . 50752 1
186 . 1 . 1 27 27 SER HA H 1 4.746 0.000 . 1 . . . . . 25 SER HA . 50752 1
187 . 1 . 1 27 27 SER HB2 H 1 3.852 0.000 . 2 . . . . . 25 SER HB2 . 50752 1
188 . 1 . 1 27 27 SER HB3 H 1 3.852 0.000 . 2 . . . . . 25 SER HB3 . 50752 1
189 . 1 . 1 27 27 SER CA C 13 56.569 0.000 . 1 . . . . . 25 SER CA . 50752 1
190 . 1 . 1 27 27 SER CB C 13 63.436 0.000 . 1 . . . . . 25 SER CB . 50752 1
191 . 1 . 1 27 27 SER N N 15 119.299 0.026 . 1 . . . . . 25 SER N . 50752 1
192 . 1 . 1 28 28 PRO HA H 1 4.426 0.000 . 1 . . . . . 26 PRO HA . 50752 1
193 . 1 . 1 28 28 PRO HB2 H 1 1.895 0.000 . 2 . . . . . 26 PRO HB2 . 50752 1
194 . 1 . 1 28 28 PRO HB3 H 1 2.291 0.000 . 2 . . . . . 26 PRO HB3 . 50752 1
195 . 1 . 1 28 28 PRO C C 13 176.474 0.000 . 1 . . . . . 26 PRO CO . 50752 1
196 . 1 . 1 28 28 PRO CA C 13 63.259 0.000 . 1 . . . . . 26 PRO CA . 50752 1
197 . 1 . 1 28 28 PRO CB C 13 31.952 0.000 . 1 . . . . . 26 PRO CB . 50752 1
198 . 1 . 1 29 29 ALA H H 1 8.419 0.001 . 1 . . . . . 27 ALA NH . 50752 1
199 . 1 . 1 29 29 ALA HA H 1 4.234 0.000 . 1 . . . . . 27 ALA HA . 50752 1
200 . 1 . 1 29 29 ALA HB1 H 1 1.326 0.008 . 1 . . . . . 27 ALA HB1 . 50752 1
201 . 1 . 1 29 29 ALA HB2 H 1 1.326 0.008 . 1 . . . . . 27 ALA HB2 . 50752 1
202 . 1 . 1 29 29 ALA HB3 H 1 1.326 0.008 . 1 . . . . . 27 ALA HB3 . 50752 1
203 . 1 . 1 29 29 ALA C C 13 177.465 0.000 . 1 . . . . . 27 ALA CO . 50752 1
204 . 1 . 1 29 29 ALA CA C 13 52.678 0.130 . 1 . . . . . 27 ALA CA . 50752 1
205 . 1 . 1 29 29 ALA CB C 13 18.961 0.189 . 1 . . . . . 27 ALA CB . 50752 1
206 . 1 . 1 29 29 ALA N N 15 124.417 0.031 . 1 . . . . . 27 ALA N . 50752 1
207 . 1 . 1 30 30 HIS H H 1 8.477 0.003 . 1 . . . . . 28 HIS NH . 50752 1
208 . 1 . 1 30 30 HIS HA H 1 4.704 0.002 . 1 . . . . . 28 HIS HA . 50752 1
209 . 1 . 1 30 30 HIS HB2 H 1 3.184 0.001 . 2 . . . . . 28 HIS HB2 . 50752 1
210 . 1 . 1 30 30 HIS HB3 H 1 3.184 0.001 . 2 . . . . . 28 HIS HB3 . 50752 1
211 . 1 . 1 30 30 HIS C C 13 174.055 0.000 . 1 . . . . . 28 HIS CO . 50752 1
212 . 1 . 1 30 30 HIS CA C 13 54.799 0.018 . 1 . . . . . 28 HIS CA . 50752 1
213 . 1 . 1 30 30 HIS CB C 13 29.060 0.010 . 1 . . . . . 28 HIS CB . 50752 1
214 . 1 . 1 30 30 HIS N N 15 118.042 0.114 . 1 . . . . . 28 HIS N . 50752 1
215 . 1 . 1 31 31 LEU H H 1 8.508 0.002 . 1 . . . . . 29 LEU NH . 50752 1
216 . 1 . 1 31 31 LEU HA H 1 4.596 0.000 . 1 . . . . . 29 LEU HA . 50752 1
217 . 1 . 1 31 31 LEU HB2 H 1 1.588 0.000 . 2 . . . . . 29 LEU HB2 . 50752 1
218 . 1 . 1 31 31 LEU HB3 H 1 1.588 0.000 . 2 . . . . . 29 LEU HB3 . 50752 1
219 . 1 . 1 31 31 LEU CA C 13 53.138 0.000 . 1 . . . . . 29 LEU CA . 50752 1
220 . 1 . 1 31 31 LEU CB C 13 41.467 0.000 . 1 . . . . . 29 LEU CB . 50752 1
221 . 1 . 1 31 31 LEU N N 15 125.989 0.031 . 1 . . . . . 29 LEU N . 50752 1
222 . 1 . 1 32 32 PRO HA H 1 4.425 0.000 . 1 . . . . . 30 PRO HA . 50752 1
223 . 1 . 1 32 32 PRO HB2 H 1 1.916 0.000 . 2 . . . . . 30 PRO HB2 . 50752 1
224 . 1 . 1 32 32 PRO HB3 H 1 2.291 0.000 . 2 . . . . . 30 PRO HB3 . 50752 1
225 . 1 . 1 32 32 PRO C C 13 176.697 0.000 . 1 . . . . . 30 PRO CO . 50752 1
226 . 1 . 1 32 32 PRO CA C 13 63.286 0.000 . 1 . . . . . 30 PRO CA . 50752 1
227 . 1 . 1 32 32 PRO CB C 13 31.913 0.000 . 1 . . . . . 30 PRO CB . 50752 1
228 . 1 . 1 33 33 ASN H H 1 8.626 0.001 . 1 . . . . . 31 ASN NH . 50752 1
229 . 1 . 1 33 33 ASN HA H 1 4.602 0.005 . 1 . . . . . 31 ASN HA . 50752 1
230 . 1 . 1 33 33 ASN HB2 H 1 2.819 0.000 . 2 . . . . . 31 ASN HB2 . 50752 1
231 . 1 . 1 33 33 ASN HB3 H 1 2.819 0.000 . 2 . . . . . 31 ASN HB3 . 50752 1
232 . 1 . 1 33 33 ASN C C 13 175.276 0.000 . 1 . . . . . 31 ASN CO . 50752 1
233 . 1 . 1 33 33 ASN CA C 13 53.382 0.009 . 1 . . . . . 31 ASN CA . 50752 1
234 . 1 . 1 33 33 ASN CB C 13 38.485 0.004 . 1 . . . . . 31 ASN CB . 50752 1
235 . 1 . 1 33 33 ASN N N 15 118.760 0.029 . 1 . . . . . 31 ASN N . 50752 1
236 . 1 . 1 34 34 GLN H H 1 8.394 0.002 . 1 . . . . . 32 GLN NH . 50752 1
237 . 1 . 1 34 34 GLN HA H 1 4.312 0.004 . 1 . . . . . 32 GLN HA . 50752 1
238 . 1 . 1 34 34 GLN HB2 H 1 2.041 0.021 . 2 . . . . . 32 GLN HB2 . 50752 1
239 . 1 . 1 34 34 GLN HB3 H 1 2.041 0.021 . 2 . . . . . 32 GLN HB3 . 50752 1
240 . 1 . 1 34 34 GLN C C 13 175.741 0.000 . 1 . . . . . 32 GLN CO . 50752 1
241 . 1 . 1 34 34 GLN CA C 13 55.946 0.034 . 1 . . . . . 32 GLN CA . 50752 1
242 . 1 . 1 34 34 GLN CB C 13 29.501 0.012 . 1 . . . . . 32 GLN CB . 50752 1
243 . 1 . 1 34 34 GLN N N 15 121.251 0.036 . 1 . . . . . 32 GLN N . 50752 1
244 . 1 . 1 35 35 ALA H H 1 8.457 0.001 . 1 . . . . . 33 ALA NH . 50752 1
245 . 1 . 1 35 35 ALA HA H 1 4.277 0.006 . 1 . . . . . 33 ALA HA . 50752 1
246 . 1 . 1 35 35 ALA HB1 H 1 1.390 0.000 . 1 . . . . . 33 ALA HB1 . 50752 1
247 . 1 . 1 35 35 ALA HB2 H 1 1.390 0.000 . 1 . . . . . 33 ALA HB2 . 50752 1
248 . 1 . 1 35 35 ALA HB3 H 1 1.390 0.000 . 1 . . . . . 33 ALA HB3 . 50752 1
249 . 1 . 1 35 35 ALA C C 13 177.511 0.000 . 1 . . . . . 33 ALA CO . 50752 1
250 . 1 . 1 35 35 ALA CA C 13 52.760 0.014 . 1 . . . . . 33 ALA CA . 50752 1
251 . 1 . 1 35 35 ALA CB C 13 19.024 0.043 . 1 . . . . . 33 ALA CB . 50752 1
252 . 1 . 1 35 35 ALA N N 15 125.567 0.033 . 1 . . . . . 33 ALA N . 50752 1
253 . 1 . 1 36 36 ASN H H 1 8.464 0.002 . 1 . . . . . 34 ASN NH . 50752 1
254 . 1 . 1 36 36 ASN HA H 1 4.694 0.000 . 1 . . . . . 34 ASN HA . 50752 1
255 . 1 . 1 36 36 ASN HB2 H 1 2.785 0.001 . 2 . . . . . 34 ASN HB2 . 50752 1
256 . 1 . 1 36 36 ASN HB3 H 1 2.785 0.001 . 2 . . . . . 34 ASN HB3 . 50752 1
257 . 1 . 1 36 36 ASN C C 13 174.899 0.000 . 1 . . . . . 34 ASN CO . 50752 1
258 . 1 . 1 36 36 ASN CA C 13 53.045 0.044 . 1 . . . . . 34 ASN CA . 50752 1
259 . 1 . 1 36 36 ASN CB C 13 38.882 0.029 . 1 . . . . . 34 ASN CB . 50752 1
260 . 1 . 1 36 36 ASN N N 15 117.999 0.047 . 1 . . . . . 34 ASN N . 50752 1
261 . 1 . 1 37 37 SER H H 1 8.234 0.002 . 1 . . . . . 35 SER NH . 50752 1
262 . 1 . 1 37 37 SER HA H 1 4.745 0.000 . 1 . . . . . 35 SER HA . 50752 1
263 . 1 . 1 37 37 SER HB2 H 1 3.823 0.000 . 2 . . . . . 35 SER HB2 . 50752 1
264 . 1 . 1 37 37 SER HB3 H 1 3.823 0.000 . 2 . . . . . 35 SER HB3 . 50752 1
265 . 1 . 1 37 37 SER CA C 13 56.633 0.000 . 1 . . . . . 35 SER CA . 50752 1
266 . 1 . 1 37 37 SER CB C 13 63.286 0.000 . 1 . . . . . 35 SER CB . 50752 1
267 . 1 . 1 37 37 SER N N 15 117.863 0.027 . 1 . . . . . 35 SER N . 50752 1
268 . 1 . 1 39 39 PRO HA H 1 4.493 0.000 . 1 . . . . . 37 PRO HA . 50752 1
269 . 1 . 1 39 39 PRO HB2 H 1 1.855 0.000 . 2 . . . . . 37 PRO HB2 . 50752 1
270 . 1 . 1 39 39 PRO HB3 H 1 2.244 0.000 . 2 . . . . . 37 PRO HB3 . 50752 1
271 . 1 . 1 39 39 PRO CA C 13 62.821 0.000 . 1 . . . . . 37 PRO CA . 50752 1
272 . 1 . 1 39 39 PRO CB C 13 31.928 0.000 . 1 . . . . . 37 PRO CB . 50752 1
273 . 1 . 1 40 40 VAL H H 1 8.335 0.002 . 1 . . . . . 38 VAL NH . 50752 1
274 . 1 . 1 40 40 VAL HA H 1 4.051 0.006 . 1 . . . . . 38 VAL HA . 50752 1
275 . 1 . 1 40 40 VAL HB H 1 1.989 0.011 . 1 . . . . . 38 VAL HB . 50752 1
276 . 1 . 1 40 40 VAL C C 13 176.036 0.000 . 1 . . . . . 38 VAL CO . 50752 1
277 . 1 . 1 40 40 VAL CA C 13 62.351 0.072 . 1 . . . . . 38 VAL CA . 50752 1
278 . 1 . 1 40 40 VAL CB C 13 32.619 0.056 . 1 . . . . . 38 VAL CB . 50752 1
279 . 1 . 1 40 40 VAL N N 15 121.895 0.060 . 1 . . . . . 38 VAL N . 50752 1
280 . 1 . 1 41 41 ILE H H 1 8.421 0.002 . 1 . . . . . 39 ILE NH . 50752 1
281 . 1 . 1 41 41 ILE HA H 1 4.190 0.004 . 1 . . . . . 39 ILE HA . 50752 1
282 . 1 . 1 41 41 ILE HB H 1 1.808 0.010 . 1 . . . . . 39 ILE HB . 50752 1
283 . 1 . 1 41 41 ILE C C 13 175.982 0.000 . 1 . . . . . 39 ILE CO . 50752 1
284 . 1 . 1 41 41 ILE CA C 13 60.587 0.002 . 1 . . . . . 39 ILE CA . 50752 1
285 . 1 . 1 41 41 ILE CB C 13 38.385 0.077 . 1 . . . . . 39 ILE CB . 50752 1
286 . 1 . 1 41 41 ILE N N 15 127.116 0.052 . 1 . . . . . 39 ILE N . 50752 1
287 . 1 . 1 42 42 VAL H H 1 8.427 0.002 . 1 . . . . . 40 VAL NH . 50752 1
288 . 1 . 1 42 42 VAL HA H 1 4.119 0.001 . 1 . . . . . 40 VAL HA . 50752 1
289 . 1 . 1 42 42 VAL HB H 1 2.032 0.003 . 1 . . . . . 40 VAL HB . 50752 1
290 . 1 . 1 42 42 VAL C C 13 175.497 0.000 . 1 . . . . . 40 VAL CO . 50752 1
291 . 1 . 1 42 42 VAL CA C 13 62.108 0.015 . 1 . . . . . 40 VAL CA . 50752 1
292 . 1 . 1 42 42 VAL CB C 13 32.867 0.011 . 1 . . . . . 40 VAL CB . 50752 1
293 . 1 . 1 42 42 VAL N N 15 126.524 0.035 . 1 . . . . . 40 VAL N . 50752 1
294 . 1 . 1 43 43 ASN H H 1 8.682 0.001 . 1 . . . . . 41 ASN NH . 50752 1
295 . 1 . 1 43 43 ASN HA H 1 4.787 0.005 . 1 . . . . . 41 ASN HA . 50752 1
296 . 1 . 1 43 43 ASN HB2 H 1 2.817 0.002 . 2 . . . . . 41 ASN HB2 . 50752 1
297 . 1 . 1 43 43 ASN HB3 H 1 2.817 0.002 . 2 . . . . . 41 ASN HB3 . 50752 1
298 . 1 . 1 43 43 ASN C C 13 175.564 0.000 . 1 . . . . . 41 ASN CO . 50752 1
299 . 1 . 1 43 43 ASN CA C 13 53.111 0.010 . 1 . . . . . 41 ASN CA . 50752 1
300 . 1 . 1 43 43 ASN CB C 13 39.073 0.030 . 1 . . . . . 41 ASN CB . 50752 1
301 . 1 . 1 43 43 ASN N N 15 124.280 0.023 . 1 . . . . . 41 ASN N . 50752 1
302 . 1 . 1 44 44 THR H H 1 8.369 0.002 . 1 . . . . . 42 THR NH . 50752 1
303 . 1 . 1 44 44 THR HA H 1 4.309 0.000 . 1 . . . . . 42 THR HA . 50752 1
304 . 1 . 1 44 44 THR HB H 1 4.282 0.000 . 1 . . . . . 42 THR HB . 50752 1
305 . 1 . 1 44 44 THR C C 13 174.521 0.000 . 1 . . . . . 42 THR CO . 50752 1
306 . 1 . 1 44 44 THR CA C 13 62.140 0.042 . 1 . . . . . 42 THR CA . 50752 1
307 . 1 . 1 44 44 THR CB C 13 69.450 0.023 . 1 . . . . . 42 THR CB . 50752 1
308 . 1 . 1 44 44 THR N N 15 115.492 0.023 . 1 . . . . . 42 THR N . 50752 1
309 . 1 . 1 45 45 ASP H H 1 8.467 0.002 . 1 . . . . . 43 ASP NH . 50752 1
310 . 1 . 1 45 45 ASP HA H 1 4.659 0.010 . 1 . . . . . 43 ASP HA . 50752 1
311 . 1 . 1 45 45 ASP HB2 H 1 2.731 0.005 . 2 . . . . . 43 ASP HB2 . 50752 1
312 . 1 . 1 45 45 ASP HB3 H 1 2.731 0.005 . 2 . . . . . 43 ASP HB3 . 50752 1
313 . 1 . 1 45 45 ASP C C 13 176.432 0.000 . 1 . . . . . 43 ASP CO . 50752 1
314 . 1 . 1 45 45 ASP CA C 13 54.741 0.002 . 1 . . . . . 43 ASP CA . 50752 1
315 . 1 . 1 45 45 ASP CB C 13 40.639 0.019 . 1 . . . . . 43 ASP CB . 50752 1
316 . 1 . 1 45 45 ASP N N 15 122.921 0.023 . 1 . . . . . 43 ASP N . 50752 1
317 . 1 . 1 46 46 THR H H 1 8.107 0.002 . 1 . . . . . 44 THR NH . 50752 1
318 . 1 . 1 46 46 THR HA H 1 4.278 0.039 . 1 . . . . . 44 THR HA . 50752 1
319 . 1 . 1 46 46 THR HB H 1 4.221 0.028 . 1 . . . . . 44 THR HB . 50752 1
320 . 1 . 1 46 46 THR CA C 13 62.120 0.028 . 1 . . . . . 44 THR CA . 50752 1
321 . 1 . 1 46 46 THR CB C 13 69.654 0.062 . 1 . . . . . 44 THR CB . 50752 1
322 . 1 . 1 46 46 THR N N 15 114.874 0.028 . 1 . . . . . 44 THR N . 50752 1
323 . 1 . 1 47 47 LEU H H 1 8.243 0.002 . 1 . . . . . 45 LEU NH . 50752 1
324 . 1 . 1 47 47 LEU HA H 1 4.296 0.006 . 1 . . . . . 45 LEU HA . 50752 1
325 . 1 . 1 47 47 LEU HB2 H 1 1.603 0.008 . 2 . . . . . 45 LEU HB2 . 50752 1
326 . 1 . 1 47 47 LEU HB3 H 1 1.603 0.008 . 2 . . . . . 45 LEU HB3 . 50752 1
327 . 1 . 1 47 47 LEU C C 13 177.556 0.000 . 1 . . . . . 45 LEU CO . 50752 1
328 . 1 . 1 47 47 LEU CA C 13 55.395 0.101 . 1 . . . . . 45 LEU CA . 50752 1
329 . 1 . 1 47 47 LEU CB C 13 42.189 0.052 . 1 . . . . . 45 LEU CB . 50752 1
330 . 1 . 1 47 47 LEU N N 15 124.832 0.021 . 1 . . . . . 45 LEU N . 50752 1
331 . 1 . 1 48 48 GLU H H 1 8.300 0.002 . 1 . . . . . 46 GLU NH . 50752 1
332 . 1 . 1 48 48 GLU HA H 1 4.260 0.000 . 1 . . . . . 46 GLU HA . 50752 1
333 . 1 . 1 48 48 GLU HB2 H 1 1.898 0.000 . 2 . . . . . 46 GLU HB2 . 50752 1
334 . 1 . 1 48 48 GLU HB3 H 1 1.992 0.000 . 2 . . . . . 46 GLU HB3 . 50752 1
335 . 1 . 1 48 48 GLU C C 13 175.543 0.000 . 1 . . . . . 46 GLU CO . 50752 1
336 . 1 . 1 48 48 GLU CA C 13 55.885 0.022 . 1 . . . . . 46 GLU CA . 50752 1
337 . 1 . 1 48 48 GLU CB C 13 29.744 0.050 . 1 . . . . . 46 GLU CB . 50752 1
338 . 1 . 1 48 48 GLU N N 15 121.809 0.053 . 1 . . . . . 46 GLU N . 50752 1
339 . 1 . 1 49 49 ALA H H 1 8.366 0.002 . 1 . . . . . 47 ALA NH . 50752 1
340 . 1 . 1 49 49 ALA HA H 1 4.581 0.000 . 1 . . . . . 47 ALA HA . 50752 1
341 . 1 . 1 49 49 ALA HB1 H 1 1.352 0.000 . 1 . . . . . 47 ALA HB1 . 50752 1
342 . 1 . 1 49 49 ALA HB2 H 1 1.352 0.000 . 1 . . . . . 47 ALA HB2 . 50752 1
343 . 1 . 1 49 49 ALA HB3 H 1 1.352 0.000 . 1 . . . . . 47 ALA HB3 . 50752 1
344 . 1 . 1 49 49 ALA CA C 13 50.585 0.000 . 1 . . . . . 47 ALA CA . 50752 1
345 . 1 . 1 49 49 ALA CB C 13 18.107 0.000 . 1 . . . . . 47 ALA CB . 50752 1
346 . 1 . 1 49 49 ALA N N 15 127.190 0.039 . 1 . . . . . 47 ALA N . 50752 1
347 . 1 . 1 50 50 PRO HA H 1 4.418 0.000 . 1 . . . . . 48 PRO HA . 50752 1
348 . 1 . 1 50 50 PRO HB2 H 1 1.826 0.000 . 2 . . . . . 48 PRO HB2 . 50752 1
349 . 1 . 1 50 50 PRO HB3 H 1 2.262 0.000 . 2 . . . . . 48 PRO HB3 . 50752 1
350 . 1 . 1 50 50 PRO C C 13 177.643 0.000 . 1 . . . . . 48 PRO CO . 50752 1
351 . 1 . 1 50 50 PRO CA C 13 63.676 0.180 . 1 . . . . . 48 PRO CA . 50752 1
352 . 1 . 1 50 50 PRO CB C 13 31.784 0.135 . 1 . . . . . 48 PRO CB . 50752 1
353 . 1 . 1 51 51 GLY H H 1 8.599 0.003 . 1 . . . . . 49 GLY NH . 50752 1
354 . 1 . 1 51 51 GLY HA2 H 1 3.911 0.000 . 2 . . . . . 49 GLY HA2 . 50752 1
355 . 1 . 1 51 51 GLY HA3 H 1 3.911 0.000 . 2 . . . . . 49 GLY HA3 . 50752 1
356 . 1 . 1 51 51 GLY C C 13 174.158 0.000 . 1 . . . . . 49 GLY CO . 50752 1
357 . 1 . 1 51 51 GLY CA C 13 45.292 0.047 . 1 . . . . . 49 GLY CA . 50752 1
358 . 1 . 1 51 51 GLY N N 15 110.064 0.031 . 1 . . . . . 49 GLY N . 50752 1
359 . 1 . 1 52 52 TYR H H 1 8.025 0.003 . 1 . . . . . 50 TYR NH . 50752 1
360 . 1 . 1 52 52 TYR HA H 1 4.507 0.001 . 1 . . . . . 50 TYR HA . 50752 1
361 . 1 . 1 52 52 TYR HB2 H 1 3.019 0.000 . 2 . . . . . 50 TYR HB2 . 50752 1
362 . 1 . 1 52 52 TYR HB3 H 1 3.019 0.000 . 2 . . . . . 50 TYR HB3 . 50752 1
363 . 1 . 1 52 52 TYR C C 13 175.733 0.000 . 1 . . . . . 50 TYR CO . 50752 1
364 . 1 . 1 52 52 TYR CA C 13 58.465 0.179 . 1 . . . . . 50 TYR CA . 50752 1
365 . 1 . 1 52 52 TYR CB C 13 38.831 0.029 . 1 . . . . . 50 TYR CB . 50752 1
366 . 1 . 1 52 52 TYR N N 15 120.619 0.018 . 1 . . . . . 50 TYR N . 50752 1
367 . 1 . 1 53 53 GLU H H 1 8.442 0.002 . 1 . . . . . 51 GLU NH . 50752 1
368 . 1 . 1 53 53 GLU HA H 1 4.220 0.000 . 1 . . . . . 51 GLU HA . 50752 1
369 . 1 . 1 53 53 GLU HB2 H 1 1.940 0.000 . 2 . . . . . 51 GLU HB2 . 50752 1
370 . 1 . 1 53 53 GLU HB3 H 1 1.940 0.000 . 2 . . . . . 51 GLU HB3 . 50752 1
371 . 1 . 1 53 53 GLU C C 13 175.789 0.000 . 1 . . . . . 51 GLU CO . 50752 1
372 . 1 . 1 53 53 GLU CA C 13 56.329 0.005 . 1 . . . . . 51 GLU CA . 50752 1
373 . 1 . 1 53 53 GLU CB C 13 29.686 0.022 . 1 . . . . . 51 GLU CB . 50752 1
374 . 1 . 1 53 53 GLU N N 15 122.788 0.052 . 1 . . . . . 51 GLU N . 50752 1
375 . 1 . 1 54 54 LEU H H 1 8.202 0.002 . 1 . . . . . 52 LEU NH . 50752 1
376 . 1 . 1 54 54 LEU HA H 1 4.295 0.000 . 1 . . . . . 52 LEU HA . 50752 1
377 . 1 . 1 54 54 LEU HB2 H 1 1.596 0.000 . 2 . . . . . 52 LEU HB2 . 50752 1
378 . 1 . 1 54 54 LEU HB3 H 1 1.596 0.000 . 2 . . . . . 52 LEU HB3 . 50752 1
379 . 1 . 1 54 54 LEU CA C 13 55.274 0.000 . 1 . . . . . 52 LEU CA . 50752 1
380 . 1 . 1 54 54 LEU CB C 13 42.412 0.000 . 1 . . . . . 52 LEU CB . 50752 1
381 . 1 . 1 54 54 LEU N N 15 123.744 0.030 . 1 . . . . . 52 LEU N . 50752 1
382 . 1 . 1 55 55 GLN HA H 1 4.333 0.000 . 1 . . . . . 53 GLN HA . 50752 1
383 . 1 . 1 55 55 GLN HB2 H 1 2.035 0.000 . 2 . . . . . 53 GLN HB2 . 50752 1
384 . 1 . 1 55 55 GLN HB3 H 1 2.035 0.000 . 2 . . . . . 53 GLN HB3 . 50752 1
385 . 1 . 1 55 55 GLN C C 13 175.934 0.000 . 1 . . . . . 53 GLN CO . 50752 1
386 . 1 . 1 55 55 GLN CA C 13 55.862 0.000 . 1 . . . . . 53 GLN CA . 50752 1
387 . 1 . 1 55 55 GLN CB C 13 29.396 0.000 . 1 . . . . . 53 GLN CB . 50752 1
388 . 1 . 1 56 56 VAL H H 1 8.316 0.002 . 1 . . . . . 54 VAL NH . 50752 1
389 . 1 . 1 56 56 VAL HA H 1 4.111 0.000 . 1 . . . . . 54 VAL HA . 50752 1
390 . 1 . 1 56 56 VAL HB H 1 2.075 0.000 . 1 . . . . . 54 VAL HB . 50752 1
391 . 1 . 1 56 56 VAL C C 13 176.002 0.000 . 1 . . . . . 54 VAL CO . 50752 1
392 . 1 . 1 56 56 VAL CA C 13 62.284 0.007 . 1 . . . . . 54 VAL CA . 50752 1
393 . 1 . 1 56 56 VAL CB C 13 32.711 0.079 . 1 . . . . . 54 VAL CB . 50752 1
394 . 1 . 1 56 56 VAL N N 15 122.224 0.068 . 1 . . . . . 54 VAL N . 50752 1
395 . 1 . 1 57 57 ASN H H 1 8.701 0.001 . 1 . . . . . 55 ASN NH . 50752 1
396 . 1 . 1 57 57 ASN HA H 1 4.751 0.000 . 1 . . . . . 55 ASN HA . 50752 1
397 . 1 . 1 57 57 ASN HB2 H 1 2.817 0.000 . 2 . . . . . 55 ASN HB2 . 50752 1
398 . 1 . 1 57 57 ASN HB3 H 1 2.817 0.000 . 2 . . . . . 55 ASN HB3 . 50752 1
399 . 1 . 1 57 57 ASN C C 13 175.714 0.000 . 1 . . . . . 55 ASN CO . 50752 1
400 . 1 . 1 57 57 ASN CA C 13 53.206 0.007 . 1 . . . . . 55 ASN CA . 50752 1
401 . 1 . 1 57 57 ASN CB C 13 39.066 0.014 . 1 . . . . . 55 ASN CB . 50752 1
402 . 1 . 1 57 57 ASN N N 15 122.871 0.025 . 1 . . . . . 55 ASN N . 50752 1
403 . 1 . 1 58 58 GLY H H 1 8.506 0.004 . 1 . . . . . 56 GLY NH . 50752 1
404 . 1 . 1 58 58 GLY HA2 H 1 4.026 0.016 . 2 . . . . . 56 GLY HA2 . 50752 1
405 . 1 . 1 58 58 GLY HA3 H 1 4.026 0.016 . 2 . . . . . 56 GLY HA3 . 50752 1
406 . 1 . 1 58 58 GLY C C 13 174.455 0.000 . 1 . . . . . 56 GLY CO . 50752 1
407 . 1 . 1 58 58 GLY CA C 13 45.450 0.092 . 1 . . . . . 56 GLY CA . 50752 1
408 . 1 . 1 58 58 GLY N N 15 110.297 0.057 . 1 . . . . . 56 GLY N . 50752 1
409 . 1 . 1 59 59 THR H H 1 8.208 0.002 . 1 . . . . . 57 THR NH . 50752 1
410 . 1 . 1 59 59 THR HA H 1 4.343 0.035 . 1 . . . . . 57 THR HA . 50752 1
411 . 1 . 1 59 59 THR HB H 1 4.332 0.000 . 1 . . . . . 57 THR HB . 50752 1
412 . 1 . 1 59 59 THR C C 13 174.899 0.000 . 1 . . . . . 57 THR CO . 50752 1
413 . 1 . 1 59 59 THR CA C 13 62.210 0.213 . 1 . . . . . 57 THR CA . 50752 1
414 . 1 . 1 59 59 THR CB C 13 69.862 0.055 . 1 . . . . . 57 THR CB . 50752 1
415 . 1 . 1 59 59 THR N N 15 113.814 0.039 . 1 . . . . . 57 THR N . 50752 1
416 . 1 . 1 60 60 GLU H H 1 8.638 0.001 . 1 . . . . . 58 GLU NH . 50752 1
417 . 1 . 1 60 60 GLU HA H 1 4.295 0.007 . 1 . . . . . 58 GLU HA . 50752 1
418 . 1 . 1 60 60 GLU HB2 H 1 2.046 0.009 . 2 . . . . . 58 GLU HB2 . 50752 1
419 . 1 . 1 60 60 GLU HB3 H 1 2.046 0.009 . 2 . . . . . 58 GLU HB3 . 50752 1
420 . 1 . 1 60 60 GLU C C 13 176.984 0.000 . 1 . . . . . 58 GLU CO . 50752 1
421 . 1 . 1 60 60 GLU CA C 13 57.021 0.007 . 1 . . . . . 58 GLU CA . 50752 1
422 . 1 . 1 60 60 GLU CB C 13 29.436 0.003 . 1 . . . . . 58 GLU CB . 50752 1
423 . 1 . 1 60 60 GLU N N 15 123.677 0.033 . 1 . . . . . 58 GLU N . 50752 1
424 . 1 . 1 61 61 GLY H H 1 8.515 0.004 . 1 . . . . . 59 GLY NH . 50752 1
425 . 1 . 1 61 61 GLY HA2 H 1 3.970 0.014 . 2 . . . . . 59 GLY HA2 . 50752 1
426 . 1 . 1 61 61 GLY HA3 H 1 3.970 0.014 . 2 . . . . . 59 GLY HA3 . 50752 1
427 . 1 . 1 61 61 GLY C C 13 174.181 0.000 . 1 . . . . . 59 GLY CO . 50752 1
428 . 1 . 1 61 61 GLY CA C 13 45.238 0.061 . 1 . . . . . 59 GLY CA . 50752 1
429 . 1 . 1 61 61 GLY N N 15 110.486 0.051 . 1 . . . . . 59 GLY N . 50752 1
430 . 1 . 1 62 62 GLU H H 1 8.267 0.002 . 1 . . . . . 60 GLU NH . 50752 1
431 . 1 . 1 62 62 GLU HA H 1 4.308 0.007 . 1 . . . . . 60 GLU HA . 50752 1
432 . 1 . 1 62 62 GLU HB2 H 1 2.023 0.000 . 2 . . . . . 60 GLU HB2 . 50752 1
433 . 1 . 1 62 62 GLU HB3 H 1 2.023 0.000 . 2 . . . . . 60 GLU HB3 . 50752 1
434 . 1 . 1 62 62 GLU C C 13 176.531 0.000 . 1 . . . . . 60 GLU CO . 50752 1
435 . 1 . 1 62 62 GLU CA C 13 56.704 0.176 . 1 . . . . . 60 GLU CA . 50752 1
436 . 1 . 1 62 62 GLU CB C 13 29.579 0.096 . 1 . . . . . 60 GLU CB . 50752 1
437 . 1 . 1 62 62 GLU N N 15 120.893 0.033 . 1 . . . . . 60 GLU N . 50752 1
438 . 1 . 1 63 63 MET H H 1 8.474 0.001 . 1 . . . . . 61 MET NH . 50752 1
439 . 1 . 1 63 63 MET HA H 1 4.426 0.000 . 1 . . . . . 61 MET HA . 50752 1
440 . 1 . 1 63 63 MET HB2 H 1 1.969 0.000 . 2 . . . . . 61 MET HB2 . 50752 1
441 . 1 . 1 63 63 MET HB3 H 1 1.969 0.000 . 2 . . . . . 61 MET HB3 . 50752 1
442 . 1 . 1 63 63 MET CA C 13 56.058 0.000 . 1 . . . . . 61 MET CA . 50752 1
443 . 1 . 1 63 63 MET CB C 13 32.757 0.000 . 1 . . . . . 61 MET CB . 50752 1
444 . 1 . 1 63 63 MET N N 15 121.822 0.037 . 1 . . . . . 61 MET N . 50752 1
445 . 1 . 1 64 64 GLU HA H 1 4.279 0.000 . 1 . . . . . 62 GLU HA . 50752 1
446 . 1 . 1 64 64 GLU HB2 H 1 1.952 0.000 . 2 . . . . . 62 GLU HB2 . 50752 1
447 . 1 . 1 64 64 GLU HB3 H 1 1.952 0.000 . 2 . . . . . 62 GLU HB3 . 50752 1
448 . 1 . 1 64 64 GLU C C 13 175.929 0.000 . 1 . . . . . 62 GLU CO . 50752 1
449 . 1 . 1 64 64 GLU CA C 13 56.480 0.000 . 1 . . . . . 62 GLU CA . 50752 1
450 . 1 . 1 64 64 GLU CB C 13 29.567 0.000 . 1 . . . . . 62 GLU CB . 50752 1
451 . 1 . 1 65 65 TYR H H 1 8.286 0.001 . 1 . . . . . 63 TYR NH . 50752 1
452 . 1 . 1 65 65 TYR HA H 1 4.556 0.003 . 1 . . . . . 63 TYR HA . 50752 1
453 . 1 . 1 65 65 TYR HB2 H 1 2.984 0.008 . 2 . . . . . 63 TYR HB2 . 50752 1
454 . 1 . 1 65 65 TYR HB3 H 1 2.984 0.008 . 2 . . . . . 63 TYR HB3 . 50752 1
455 . 1 . 1 65 65 TYR C C 13 175.758 0.000 . 1 . . . . . 63 TYR CO . 50752 1
456 . 1 . 1 65 65 TYR CA C 13 58.273 0.006 . 1 . . . . . 63 TYR CA . 50752 1
457 . 1 . 1 65 65 TYR CB C 13 38.903 0.032 . 1 . . . . . 63 TYR CB . 50752 1
458 . 1 . 1 65 65 TYR N N 15 121.541 0.023 . 1 . . . . . 63 TYR N . 50752 1
459 . 1 . 1 66 66 GLU H H 1 8.279 0.001 . 1 . . . . . 64 GLU NH . 50752 1
460 . 1 . 1 66 66 GLU HA H 1 4.239 0.000 . 1 . . . . . 64 GLU HA . 50752 1
461 . 1 . 1 66 66 GLU HB2 H 1 1.948 0.000 . 2 . . . . . 64 GLU HB2 . 50752 1
462 . 1 . 1 66 66 GLU HB3 H 1 1.948 0.000 . 2 . . . . . 64 GLU HB3 . 50752 1
463 . 1 . 1 66 66 GLU C C 13 176.258 0.000 . 1 . . . . . 64 GLU CO . 50752 1
464 . 1 . 1 66 66 GLU CA C 13 56.265 0.000 . 1 . . . . . 64 GLU CA . 50752 1
465 . 1 . 1 66 66 GLU CB C 13 29.893 0.000 . 1 . . . . . 64 GLU CB . 50752 1
466 . 1 . 1 66 66 GLU N N 15 122.835 0.024 . 1 . . . . . 64 GLU N . 50752 1
467 . 1 . 1 67 67 GLU HA H 1 4.254 0.000 . 1 . . . . . 65 GLU HA . 50752 1
468 . 1 . 1 67 67 GLU HB2 H 1 2.024 0.000 . 2 . . . . . 65 GLU HB2 . 50752 1
469 . 1 . 1 67 67 GLU HB3 H 1 2.024 0.000 . 2 . . . . . 65 GLU HB3 . 50752 1
470 . 1 . 1 67 67 GLU C C 13 176.416 0.000 . 1 . . . . . 65 GLU CO . 50752 1
471 . 1 . 1 67 67 GLU CA C 13 56.585 0.000 . 1 . . . . . 65 GLU CA . 50752 1
472 . 1 . 1 67 67 GLU CB C 13 29.542 0.000 . 1 . . . . . 65 GLU CB . 50752 1
473 . 1 . 1 68 68 ILE H H 1 8.300 0.001 . 1 . . . . . 66 ILE NH . 50752 1
474 . 1 . 1 68 68 ILE HA H 1 4.192 0.007 . 1 . . . . . 66 ILE HA . 50752 1
475 . 1 . 1 68 68 ILE HB H 1 1.869 0.004 . 1 . . . . . 66 ILE HB . 50752 1
476 . 1 . 1 68 68 ILE C C 13 176.541 0.000 . 1 . . . . . 66 ILE CO . 50752 1
477 . 1 . 1 68 68 ILE CA C 13 61.608 0.055 . 1 . . . . . 66 ILE CA . 50752 1
478 . 1 . 1 68 68 ILE CB C 13 38.616 0.049 . 1 . . . . . 66 ILE CB . 50752 1
479 . 1 . 1 68 68 ILE N N 15 123.138 0.025 . 1 . . . . . 66 ILE N . 50752 1
480 . 1 . 1 69 69 THR H H 1 8.309 0.002 . 1 . . . . . 67 THR NH . 50752 1
481 . 1 . 1 69 69 THR HA H 1 4.275 0.000 . 1 . . . . . 67 THR HA . 50752 1
482 . 1 . 1 69 69 THR HB H 1 4.149 0.000 . 1 . . . . . 67 THR HB . 50752 1
483 . 1 . 1 69 69 THR C C 13 174.464 0.000 . 1 . . . . . 67 THR CO . 50752 1
484 . 1 . 1 69 69 THR CA C 13 62.171 0.005 . 1 . . . . . 67 THR CA . 50752 1
485 . 1 . 1 69 69 THR CB C 13 69.632 0.055 . 1 . . . . . 67 THR CB . 50752 1
486 . 1 . 1 69 69 THR N N 15 119.642 0.027 . 1 . . . . . 67 THR N . 50752 1
487 . 1 . 1 70 70 LEU H H 1 8.312 0.001 . 1 . . . . . 68 LEU NH . 50752 1
488 . 1 . 1 70 70 LEU HA H 1 4.305 0.047 . 1 . . . . . 68 LEU HA . 50752 1
489 . 1 . 1 70 70 LEU HB2 H 1 1.581 0.041 . 2 . . . . . 68 LEU HB2 . 50752 1
490 . 1 . 1 70 70 LEU HB3 H 1 1.581 0.041 . 2 . . . . . 68 LEU HB3 . 50752 1
491 . 1 . 1 70 70 LEU C C 13 177.204 0.000 . 1 . . . . . 68 LEU CO . 50752 1
492 . 1 . 1 70 70 LEU CA C 13 55.174 0.022 . 1 . . . . . 68 LEU CA . 50752 1
493 . 1 . 1 70 70 LEU CB C 13 42.357 0.096 . 1 . . . . . 68 LEU CB . 50752 1
494 . 1 . 1 70 70 LEU N N 15 125.613 0.024 . 1 . . . . . 68 LEU N . 50752 1
495 . 1 . 1 71 71 GLU H H 1 8.427 0.009 . 1 . . . . . 69 GLU NH . 50752 1
496 . 1 . 1 71 71 GLU HA H 1 4.290 0.010 . 1 . . . . . 69 GLU HA . 50752 1
497 . 1 . 1 71 71 GLU HB2 H 1 2.008 0.000 . 2 . . . . . 69 GLU HB2 . 50752 1
498 . 1 . 1 71 71 GLU HB3 H 1 2.008 0.000 . 2 . . . . . 69 GLU HB3 . 50752 1
499 . 1 . 1 71 71 GLU C C 13 176.258 0.000 . 1 . . . . . 69 GLU CO . 50752 1
500 . 1 . 1 71 71 GLU CA C 13 56.545 0.046 . 1 . . . . . 69 GLU CA . 50752 1
501 . 1 . 1 71 71 GLU CB C 13 29.895 0.312 . 1 . . . . . 69 GLU CB . 50752 1
502 . 1 . 1 71 71 GLU N N 15 122.106 0.134 . 1 . . . . . 69 GLU N . 50752 1
503 . 1 . 1 72 72 ARG H H 1 8.433 0.003 . 1 . . . . . 70 ARG NH . 50752 1
504 . 1 . 1 72 72 ARG HA H 1 4.368 0.005 . 1 . . . . . 70 ARG HA . 50752 1
505 . 1 . 1 72 72 ARG HB2 H 1 1.755 0.000 . 2 . . . . . 70 ARG HB2 . 50752 1
506 . 1 . 1 72 72 ARG HB3 H 1 1.919 0.000 . 2 . . . . . 70 ARG HB3 . 50752 1
507 . 1 . 1 72 72 ARG C C 13 175.877 0.000 . 1 . . . . . 70 ARG CO . 50752 1
508 . 1 . 1 72 72 ARG CA C 13 56.277 0.193 . 1 . . . . . 70 ARG CA . 50752 1
509 . 1 . 1 72 72 ARG CB C 13 30.918 0.045 . 1 . . . . . 70 ARG CB . 50752 1
510 . 1 . 1 72 72 ARG N N 15 123.092 0.089 . 1 . . . . . 70 ARG N . 50752 1
511 . 1 . 1 73 73 GLY H H 1 8.144 0.001 . 1 . . . . . 71 GLY NH . 50752 1
512 . 1 . 1 73 73 GLY HA2 H 1 3.772 0.000 . 2 . . . . . 71 GLY HA2 . 50752 1
513 . 1 . 1 73 73 GLY HA3 H 1 3.772 0.000 . 2 . . . . . 71 GLY HA3 . 50752 1
514 . 1 . 1 73 73 GLY CA C 13 45.922 0.000 . 1 . . . . . 71 GLY CA . 50752 1
515 . 1 . 1 73 73 GLY N N 15 116.494 0.037 . 1 . . . . . 71 GLY N . 50752 1
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