Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25632
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 25632 1
2 '3D HNCO' . . . 25632 1
3 '3D HN(CA)CO' . . . 25632 1
4 '3D HNCACB' . . . 25632 1
5 '3D CBCA(CO)NH' . . . 25632 1
6 '3D 1H-15N NOESY' . . . 25632 1
7 '3D 1H-15N TOCSY' . . . 25632 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 6 6 MET H H 1 8.263 0.003 . . . . . . 1 MET HN . 25632 1
2 . 1 1 6 6 MET HA H 1 4.440 0.003 . . . . . . 1 MET HA . 25632 1
3 . 1 1 6 6 MET HB2 H 1 2.013 0.001 . . . . . . 1 MET QB . 25632 1
4 . 1 1 6 6 MET HB3 H 1 2.013 0.001 . . . . . . 1 MET QB . 25632 1
5 . 1 1 6 6 MET HG2 H 1 2.673 0.002 . . . . . . 1 MET HG2 . 25632 1
6 . 1 1 6 6 MET HG3 H 1 2.586 0.002 . . . . . . 1 MET HG3 . 25632 1
7 . 1 1 6 6 MET C C 13 173.440 0.031 . . . . . . 1 MET CO . 25632 1
8 . 1 1 6 6 MET CA C 13 52.547 0.064 . . . . . . 1 MET CA . 25632 1
9 . 1 1 6 6 MET CB C 13 29.604 0.000 . . . . . . 1 MET CB . 25632 1
10 . 1 1 6 6 MET N N 15 122.393 0.060 . . . . . . 1 MET N . 25632 1
11 . 1 1 7 7 ALA H H 1 8.763 0.004 . . . . . . 2 ALA HN . 25632 1
12 . 1 1 7 7 ALA HA H 1 4.125 0.000 . . . . . . 2 ALA HA . 25632 1
13 . 1 1 7 7 ALA C C 13 173.517 0.072 . . . . . . 2 ALA CO . 25632 1
14 . 1 1 7 7 ALA CA C 13 49.733 0.094 . . . . . . 2 ALA CA . 25632 1
15 . 1 1 7 7 ALA CB C 13 14.252 0.035 . . . . . . 2 ALA CB . 25632 1
16 . 1 1 7 7 ALA N N 15 125.131 0.085 . . . . . . 2 ALA N . 25632 1
17 . 1 1 8 8 THR H H 1 7.533 0.006 . . . . . . 3 THR HN . 25632 1
18 . 1 1 8 8 THR HA H 1 4.518 0.001 . . . . . . 3 THR HA . 25632 1
19 . 1 1 8 8 THR HG21 H 1 1.106 0.005 . . . . . . 3 THR QG2 . 25632 1
20 . 1 1 8 8 THR HG22 H 1 1.106 0.005 . . . . . . 3 THR QG2 . 25632 1
21 . 1 1 8 8 THR HG23 H 1 1.106 0.005 . . . . . . 3 THR QG2 . 25632 1
22 . 1 1 8 8 THR C C 13 169.880 0.000 . . . . . . 3 THR CO . 25632 1
23 . 1 1 8 8 THR CA C 13 57.255 0.034 . . . . . . 3 THR CA . 25632 1
24 . 1 1 8 8 THR CB C 13 68.760 0.176 . . . . . . 3 THR CB . 25632 1
25 . 1 1 8 8 THR N N 15 112.892 0.091 . . . . . . 3 THR N . 25632 1
26 . 1 1 9 9 THR H H 1 8.107 0.008 . . . . . . 4 THR HN . 25632 1
27 . 1 1 9 9 THR HA H 1 5.257 0.006 . . . . . . 4 THR HA . 25632 1
28 . 1 1 9 9 THR HB H 1 4.046 0.003 . . . . . . 4 THR HB . 25632 1
29 . 1 1 9 9 THR HG21 H 1 1.192 0.004 . . . . . . 4 THR QG2 . 25632 1
30 . 1 1 9 9 THR HG22 H 1 1.192 0.004 . . . . . . 4 THR QG2 . 25632 1
31 . 1 1 9 9 THR HG23 H 1 1.192 0.004 . . . . . . 4 THR QG2 . 25632 1
32 . 1 1 9 9 THR C C 13 172.063 0.000 . . . . . . 4 THR CO . 25632 1
33 . 1 1 9 9 THR CA C 13 60.261 0.000 . . . . . . 4 THR CA . 25632 1
34 . 1 1 9 9 THR CB C 13 66.733 0.109 . . . . . . 4 THR CB . 25632 1
35 . 1 1 9 9 THR N N 15 118.818 0.061 . . . . . . 4 THR N . 25632 1
36 . 1 1 10 10 VAL H H 1 9.496 0.005 . . . . . . 5 VAL HN . 25632 1
37 . 1 1 10 10 VAL HA H 1 4.254 0.001 . . . . . . 5 VAL HA . 25632 1
38 . 1 1 10 10 VAL HB H 1 1.834 0.002 . . . . . . 5 VAL HB . 25632 1
39 . 1 1 10 10 VAL HG11 H 1 0.841 0.002 . . . . . . 5 VAL QQG . 25632 1
40 . 1 1 10 10 VAL HG12 H 1 0.841 0.002 . . . . . . 5 VAL QQG . 25632 1
41 . 1 1 10 10 VAL HG13 H 1 0.841 0.002 . . . . . . 5 VAL QQG . 25632 1
42 . 1 1 10 10 VAL HG21 H 1 0.841 0.002 . . . . . . 5 VAL QQG . 25632 1
43 . 1 1 10 10 VAL HG22 H 1 0.841 0.002 . . . . . . 5 VAL QQG . 25632 1
44 . 1 1 10 10 VAL HG23 H 1 0.841 0.002 . . . . . . 5 VAL QQG . 25632 1
45 . 1 1 10 10 VAL C C 13 172.368 0.000 . . . . . . 5 VAL CO . 25632 1
46 . 1 1 10 10 VAL CA C 13 58.509 0.169 . . . . . . 5 VAL CA . 25632 1
47 . 1 1 10 10 VAL CB C 13 32.279 0.141 . . . . . . 5 VAL CB . 25632 1
48 . 1 1 10 10 VAL N N 15 129.690 0.044 . . . . . . 5 VAL N . 25632 1
49 . 1 1 11 11 SER H H 1 8.668 0.003 . . . . . . 6 SER HN . 25632 1
50 . 1 1 11 11 SER HA H 1 4.372 0.003 . . . . . . 6 SER HA . 25632 1
51 . 1 1 11 11 SER HB2 H 1 3.794 0.002 . . . . . . 6 SER QB . 25632 1
52 . 1 1 11 11 SER HB3 H 1 3.794 0.002 . . . . . . 6 SER QB . 25632 1
53 . 1 1 11 11 SER C C 13 171.570 0.000 . . . . . . 6 SER CO . 25632 1
54 . 1 1 11 11 SER CA C 13 56.089 0.065 . . . . . . 6 SER CA . 25632 1
55 . 1 1 11 11 SER CB C 13 60.592 0.014 . . . . . . 6 SER CB . 25632 1
56 . 1 1 11 11 SER N N 15 120.903 0.069 . . . . . . 6 SER N . 25632 1
57 . 1 1 12 12 THR H H 1 7.407 0.003 . . . . . . 7 THR HN . 25632 1
58 . 1 1 12 12 THR HA H 1 4.934 0.001 . . . . . . 7 THR HA . 25632 1
59 . 1 1 12 12 THR HG21 H 1 1.278 0.006 . . . . . . 7 THR QG2 . 25632 1
60 . 1 1 12 12 THR HG22 H 1 1.278 0.006 . . . . . . 7 THR QG2 . 25632 1
61 . 1 1 12 12 THR HG23 H 1 1.278 0.006 . . . . . . 7 THR QG2 . 25632 1
62 . 1 1 12 12 THR CA C 13 57.538 0.000 . . . . . . 7 THR CA . 25632 1
63 . 1 1 12 12 THR CB C 13 69.909 0.000 . . . . . . 7 THR CB . 25632 1
64 . 1 1 12 12 THR N N 15 116.484 0.054 . . . . . . 7 THR N . 25632 1
65 . 1 1 13 13 GLN HG2 H 1 2.436 0.000 . . . . . . 8 GLN QG . 25632 1
66 . 1 1 13 13 GLN HG3 H 1 2.436 0.000 . . . . . . 8 GLN QG . 25632 1
67 . 1 1 13 13 GLN C C 13 173.823 0.000 . . . . . . 8 GLN CO . 25632 1
68 . 1 1 13 13 GLN CA C 13 55.613 0.000 . . . . . . 8 GLN CA . 25632 1
69 . 1 1 13 13 GLN CB C 13 25.848 0.000 . . . . . . 8 GLN CB . 25632 1
70 . 1 1 14 14 ARG H H 1 8.035 0.005 . . . . . . 9 ARG HN . 25632 1
71 . 1 1 14 14 ARG HA H 1 4.535 0.000 . . . . . . 9 ARG HA . 25632 1
72 . 1 1 14 14 ARG HB2 H 1 2.129 0.003 . . . . . . 9 ARG QB . 25632 1
73 . 1 1 14 14 ARG HB3 H 1 2.129 0.003 . . . . . . 9 ARG QB . 25632 1
74 . 1 1 14 14 ARG HG2 H 1 1.642 0.001 . . . . . . 9 ARG HG2 . 25632 1
75 . 1 1 14 14 ARG HG3 H 1 1.558 0.003 . . . . . . 9 ARG HG3 . 25632 1
76 . 1 1 14 14 ARG HD2 H 1 3.219 0.000 . . . . . . 9 ARG HD2 . 25632 1
77 . 1 1 14 14 ARG HD3 H 1 2.937 0.000 . . . . . . 9 ARG HD3 . 25632 1
78 . 1 1 14 14 ARG C C 13 171.934 0.000 . . . . . . 9 ARG CO . 25632 1
79 . 1 1 14 14 ARG CA C 13 52.568 0.099 . . . . . . 9 ARG CA . 25632 1
80 . 1 1 14 14 ARG CB C 13 28.330 0.112 . . . . . . 9 ARG CB . 25632 1
81 . 1 1 14 14 ARG N N 15 116.473 0.048 . . . . . . 9 ARG N . 25632 1
82 . 1 1 15 15 GLY H H 1 7.351 0.004 . . . . . . 10 GLY HN . 25632 1
83 . 1 1 15 15 GLY HA2 H 1 4.529 0.000 . . . . . . 10 GLY HA2 . 25632 1
84 . 1 1 15 15 GLY HA3 H 1 3.908 0.000 . . . . . . 10 GLY HA3 . 25632 1
85 . 1 1 15 15 GLY CA C 13 41.206 0.000 . . . . . . 10 GLY CA . 25632 1
86 . 1 1 15 15 GLY N N 15 108.317 0.082 . . . . . . 10 GLY N . 25632 1
87 . 1 1 16 16 PRO HA H 1 5.126 0.004 . . . . . . 11 PRO HA . 25632 1
88 . 1 1 16 16 PRO HD2 H 1 3.908 0.000 . . . . . . 11 PRO HD2 . 25632 1
89 . 1 1 16 16 PRO HD3 H 1 3.598 0.002 . . . . . . 11 PRO HD3 . 25632 1
90 . 1 1 16 16 PRO C C 13 174.645 0.000 . . . . . . 11 PRO CO . 25632 1
91 . 1 1 17 17 VAL H H 1 8.845 0.007 . . . . . . 12 VAL HN . 25632 1
92 . 1 1 17 17 VAL HA H 1 4.814 0.001 . . . . . . 12 VAL HA . 25632 1
93 . 1 1 17 17 VAL HB H 1 2.125 0.000 . . . . . . 12 VAL HB . 25632 1
94 . 1 1 17 17 VAL HG11 H 1 0.913 0.008 . . . . . . 12 VAL QG1 . 25632 1
95 . 1 1 17 17 VAL HG12 H 1 0.913 0.008 . . . . . . 12 VAL QG1 . 25632 1
96 . 1 1 17 17 VAL HG13 H 1 0.913 0.008 . . . . . . 12 VAL QG1 . 25632 1
97 . 1 1 17 17 VAL HG21 H 1 0.821 0.010 . . . . . . 12 VAL QG2 . 25632 1
98 . 1 1 17 17 VAL HG22 H 1 0.821 0.010 . . . . . . 12 VAL QG2 . 25632 1
99 . 1 1 17 17 VAL HG23 H 1 0.821 0.010 . . . . . . 12 VAL QG2 . 25632 1
100 . 1 1 17 17 VAL C C 13 170.232 0.000 . . . . . . 12 VAL CO . 25632 1
101 . 1 1 17 17 VAL CA C 13 56.062 0.115 . . . . . . 12 VAL CA . 25632 1
102 . 1 1 17 17 VAL CB C 13 32.332 0.147 . . . . . . 12 VAL CB . 25632 1
103 . 1 1 17 17 VAL N N 15 113.268 0.064 . . . . . . 12 VAL N . 25632 1
104 . 1 1 18 18 TYR H H 1 9.297 0.002 . . . . . . 13 TYR HN . 25632 1
105 . 1 1 18 18 TYR HA H 1 5.254 0.002 . . . . . . 13 TYR HA . 25632 1
106 . 1 1 18 18 TYR HB2 H 1 2.697 0.006 . . . . . . 13 TYR QB . 25632 1
107 . 1 1 18 18 TYR HB3 H 1 2.697 0.006 . . . . . . 13 TYR QB . 25632 1
108 . 1 1 18 18 TYR C C 13 172.439 0.000 . . . . . . 13 TYR CO . 25632 1
109 . 1 1 18 18 TYR CA C 13 53.806 0.000 . . . . . . 13 TYR CA . 25632 1
110 . 1 1 18 18 TYR CB C 13 37.538 0.000 . . . . . . 13 TYR CB . 25632 1
111 . 1 1 18 18 TYR N N 15 125.816 0.076 . . . . . . 13 TYR N . 25632 1
112 . 1 1 19 19 ILE H H 1 7.840 0.003 . . . . . . 14 ILE HN . 25632 1
113 . 1 1 19 19 ILE HA H 1 4.889 0.003 . . . . . . 14 ILE HA . 25632 1
114 . 1 1 19 19 ILE HB H 1 1.696 0.004 . . . . . . 14 ILE HB . 25632 1
115 . 1 1 19 19 ILE HG12 H 1 1.497 0.004 . . . . . . 14 ILE HG12 . 25632 1
116 . 1 1 19 19 ILE HG13 H 1 0.854 0.008 . . . . . . 14 ILE HG13 . 25632 1
117 . 1 1 19 19 ILE HG21 H 1 0.725 0.015 . . . . . . 14 ILE QG2 . 25632 1
118 . 1 1 19 19 ILE HG22 H 1 0.725 0.015 . . . . . . 14 ILE QG2 . 25632 1
119 . 1 1 19 19 ILE HG23 H 1 0.725 0.015 . . . . . . 14 ILE QG2 . 25632 1
120 . 1 1 19 19 ILE HD11 H 1 0.135 0.004 . . . . . . 14 ILE QD1 . 25632 1
121 . 1 1 19 19 ILE HD12 H 1 0.135 0.004 . . . . . . 14 ILE QD1 . 25632 1
122 . 1 1 19 19 ILE HD13 H 1 0.135 0.004 . . . . . . 14 ILE QD1 . 25632 1
123 . 1 1 19 19 ILE C C 13 171.359 0.000 . . . . . . 14 ILE CO . 25632 1
124 . 1 1 19 19 ILE CA C 13 56.400 0.000 . . . . . . 14 ILE CA . 25632 1
125 . 1 1 19 19 ILE CB C 13 39.815 0.000 . . . . . . 14 ILE CB . 25632 1
126 . 1 1 19 19 ILE N N 15 116.485 0.033 . . . . . . 14 ILE N . 25632 1
127 . 1 1 20 20 GLY H H 1 7.610 0.004 . . . . . . 15 GLY HN . 25632 1
128 . 1 1 20 20 GLY HA2 H 1 4.129 0.007 . . . . . . 15 GLY HA2 . 25632 1
129 . 1 1 20 20 GLY HA3 H 1 3.606 0.002 . . . . . . 15 GLY HA3 . 25632 1
130 . 1 1 20 20 GLY C C 13 169.880 0.000 . . . . . . 15 GLY CO . 25632 1
131 . 1 1 20 20 GLY CA C 13 40.526 0.028 . . . . . . 15 GLY CA . 25632 1
132 . 1 1 20 20 GLY N N 15 110.867 0.050 . . . . . . 15 GLY N . 25632 1
133 . 1 1 21 21 GLU H H 1 8.160 0.000 . . . . . . 16 GLU HN . 25632 1
134 . 1 1 21 21 GLU HA H 1 4.272 0.000 . . . . . . 16 GLU HA . 25632 1
135 . 1 1 21 21 GLU HB2 H 1 1.862 0.002 . . . . . . 16 GLU HB2 . 25632 1
136 . 1 1 21 21 GLU HB3 H 1 1.772 0.005 . . . . . . 16 GLU HB3 . 25632 1
137 . 1 1 21 21 GLU HG2 H 1 2.163 0.007 . . . . . . 16 GLU QG . 25632 1
138 . 1 1 21 21 GLU HG3 H 1 2.163 0.007 . . . . . . 16 GLU QG . 25632 1
139 . 1 1 21 21 GLU C C 13 174.152 0.000 . . . . . . 16 GLU CO . 25632 1
140 . 1 1 21 21 GLU CA C 13 53.759 0.000 . . . . . . 16 GLU CA . 25632 1
141 . 1 1 21 21 GLU CB C 13 26.764 0.000 . . . . . . 16 GLU CB . 25632 1
142 . 1 1 21 21 GLU N N 15 119.050 0.035 . . . . . . 16 GLU N . 25632 1
143 . 1 1 22 22 LEU H H 1 8.706 0.006 . . . . . . 17 LEU HN . 25632 1
144 . 1 1 22 22 LEU HA H 1 4.069 0.000 . . . . . . 17 LEU HA . 25632 1
145 . 1 1 22 22 LEU HB2 H 1 1.874 0.000 . . . . . . 17 LEU QB . 25632 1
146 . 1 1 22 22 LEU HB3 H 1 1.874 0.000 . . . . . . 17 LEU QB . 25632 1
147 . 1 1 22 22 LEU HG H 1 1.722 0.000 . . . . . . 17 LEU HG . 25632 1
148 . 1 1 22 22 LEU HD11 H 1 0.755 0.003 . . . . . . 17 LEU QD1 . 25632 1
149 . 1 1 22 22 LEU HD12 H 1 0.755 0.003 . . . . . . 17 LEU QD1 . 25632 1
150 . 1 1 22 22 LEU HD13 H 1 0.755 0.003 . . . . . . 17 LEU QD1 . 25632 1
151 . 1 1 22 22 LEU HD21 H 1 0.207 0.001 . . . . . . 17 LEU QD2 . 25632 1
152 . 1 1 22 22 LEU HD22 H 1 0.207 0.001 . . . . . . 17 LEU QD2 . 25632 1
153 . 1 1 22 22 LEU HD23 H 1 0.207 0.001 . . . . . . 17 LEU QD2 . 25632 1
154 . 1 1 22 22 LEU CA C 13 50.139 0.000 . . . . . . 17 LEU CA . 25632 1
155 . 1 1 22 22 LEU CB C 13 37.933 0.000 . . . . . . 17 LEU CB . 25632 1
156 . 1 1 22 22 LEU N N 15 125.638 0.032 . . . . . . 17 LEU N . 25632 1
157 . 1 1 24 24 GLN HB2 H 1 2.115 0.008 . . . . . . 19 GLN QB . 25632 1
158 . 1 1 24 24 GLN HB3 H 1 2.115 0.008 . . . . . . 19 GLN QB . 25632 1
159 . 1 1 24 24 GLN HG2 H 1 2.534 0.013 . . . . . . 19 GLN QG . 25632 1
160 . 1 1 24 24 GLN HG3 H 1 2.534 0.013 . . . . . . 19 GLN QG . 25632 1
161 . 1 1 24 24 GLN C C 13 173.201 0.000 . . . . . . 19 GLN CO . 25632 1
162 . 1 1 24 24 GLN CA C 13 56.494 0.000 . . . . . . 19 GLN CA . 25632 1
163 . 1 1 24 24 GLN CB C 13 25.625 0.000 . . . . . . 19 GLN CB . 25632 1
164 . 1 1 25 25 ASP H H 1 8.376 0.006 . . . . . . 20 ASP HN . 25632 1
165 . 1 1 25 25 ASP HA H 1 4.472 0.003 . . . . . . 20 ASP HA . 25632 1
166 . 1 1 25 25 ASP HB2 H 1 2.867 0.007 . . . . . . 20 ASP QB . 25632 1
167 . 1 1 25 25 ASP HB3 H 1 2.867 0.007 . . . . . . 20 ASP QB . 25632 1
168 . 1 1 25 25 ASP C C 13 172.967 0.000 . . . . . . 20 ASP CO . 25632 1
169 . 1 1 25 25 ASP CA C 13 50.988 0.098 . . . . . . 20 ASP CA . 25632 1
170 . 1 1 25 25 ASP CB C 13 38.162 0.046 . . . . . . 20 ASP CB . 25632 1
171 . 1 1 25 25 ASP N N 15 112.321 0.032 . . . . . . 20 ASP N . 25632 1
172 . 1 1 26 26 PHE H H 1 7.228 0.004 . . . . . . 21 PHE HN . 25632 1
173 . 1 1 26 26 PHE HA H 1 4.095 0.004 . . . . . . 21 PHE HA . 25632 1
174 . 1 1 26 26 PHE HB2 H 1 2.986 0.003 . . . . . . 21 PHE HB2 . 25632 1
175 . 1 1 26 26 PHE HB3 H 1 2.892 0.004 . . . . . . 21 PHE HB3 . 25632 1
176 . 1 1 26 26 PHE C C 13 173.037 0.000 . . . . . . 21 PHE CO . 25632 1
177 . 1 1 26 26 PHE CA C 13 57.791 0.076 . . . . . . 21 PHE CA . 25632 1
178 . 1 1 26 26 PHE CB C 13 37.517 0.120 . . . . . . 21 PHE CB . 25632 1
179 . 1 1 26 26 PHE N N 15 122.586 0.070 . . . . . . 21 PHE N . 25632 1
180 . 1 1 27 27 LEU H H 1 9.212 0.006 . . . . . . 22 LEU HN . 25632 1
181 . 1 1 27 27 LEU HA H 1 3.402 0.001 . . . . . . 22 LEU HA . 25632 1
182 . 1 1 27 27 LEU HB2 H 1 1.813 0.000 . . . . . . 22 LEU QB . 25632 1
183 . 1 1 27 27 LEU HB3 H 1 1.813 0.000 . . . . . . 22 LEU QB . 25632 1
184 . 1 1 27 27 LEU HG H 1 1.651 0.000 . . . . . . 22 LEU HG . 25632 1
185 . 1 1 27 27 LEU HD11 H 1 1.002 0.002 . . . . . . 22 LEU QD1 . 25632 1
186 . 1 1 27 27 LEU HD12 H 1 1.002 0.002 . . . . . . 22 LEU QD1 . 25632 1
187 . 1 1 27 27 LEU HD13 H 1 1.002 0.002 . . . . . . 22 LEU QD1 . 25632 1
188 . 1 1 27 27 LEU HD21 H 1 0.844 0.001 . . . . . . 22 LEU HD21 . 25632 1
189 . 1 1 27 27 LEU HD22 H 1 0.719 0.001 . . . . . . 22 LEU HD22 . 25632 1
190 . 1 1 27 27 LEU HD23 H 1 0.633 0.003 . . . . . . 22 LEU HD23 . 25632 1
191 . 1 1 27 27 LEU C C 13 170.643 0.000 . . . . . . 22 LEU CO . 25632 1
192 . 1 1 27 27 LEU CA C 13 53.372 0.000 . . . . . . 22 LEU CA . 25632 1
193 . 1 1 27 27 LEU CB C 13 36.862 0.157 . . . . . . 22 LEU CB . 25632 1
194 . 1 1 27 27 LEU N N 15 125.387 0.028 . . . . . . 22 LEU N . 25632 1
195 . 1 1 28 28 ARG H H 1 7.470 0.009 . . . . . . 23 ARG HN . 25632 1
196 . 1 1 28 28 ARG HA H 1 4.611 0.001 . . . . . . 23 ARG HA . 25632 1
197 . 1 1 28 28 ARG HB2 H 1 1.760 0.000 . . . . . . 23 ARG QB . 25632 1
198 . 1 1 28 28 ARG HB3 H 1 1.760 0.000 . . . . . . 23 ARG QB . 25632 1
199 . 1 1 28 28 ARG HG2 H 1 1.608 0.002 . . . . . . 23 ARG QG . 25632 1
200 . 1 1 28 28 ARG HG3 H 1 1.608 0.002 . . . . . . 23 ARG QG . 25632 1
201 . 1 1 28 28 ARG HD2 H 1 3.306 0.002 . . . . . . 23 ARG HD2 . 25632 1
202 . 1 1 28 28 ARG HD3 H 1 3.062 0.001 . . . . . . 23 ARG HD3 . 25632 1
203 . 1 1 28 28 ARG C C 13 173.225 0.000 . . . . . . 23 ARG CO . 25632 1
204 . 1 1 28 28 ARG CA C 13 51.880 0.001 . . . . . . 23 ARG CA . 25632 1
205 . 1 1 28 28 ARG CB C 13 31.029 0.064 . . . . . . 23 ARG CB . 25632 1
206 . 1 1 28 28 ARG N N 15 114.125 0.013 . . . . . . 23 ARG N . 25632 1
207 . 1 1 29 29 ILE H H 1 8.885 0.006 . . . . . . 24 ILE HN . 25632 1
208 . 1 1 29 29 ILE HA H 1 4.172 0.002 . . . . . . 24 ILE HA . 25632 1
209 . 1 1 29 29 ILE HB H 1 1.772 0.002 . . . . . . 24 ILE HB . 25632 1
210 . 1 1 29 29 ILE HG12 H 1 1.393 0.009 . . . . . . 24 ILE HG12 . 25632 1
211 . 1 1 29 29 ILE HG13 H 1 1.239 0.004 . . . . . . 24 ILE HG13 . 25632 1
212 . 1 1 29 29 ILE HG21 H 1 0.923 0.004 . . . . . . 24 ILE QG2 . 25632 1
213 . 1 1 29 29 ILE HG22 H 1 0.923 0.004 . . . . . . 24 ILE QG2 . 25632 1
214 . 1 1 29 29 ILE HG23 H 1 0.923 0.004 . . . . . . 24 ILE QG2 . 25632 1
215 . 1 1 29 29 ILE HD11 H 1 0.782 0.003 . . . . . . 24 ILE QD1 . 25632 1
216 . 1 1 29 29 ILE HD12 H 1 0.782 0.003 . . . . . . 24 ILE QD1 . 25632 1
217 . 1 1 29 29 ILE HD13 H 1 0.782 0.003 . . . . . . 24 ILE QD1 . 25632 1
218 . 1 1 29 29 ILE C C 13 173.741 0.000 . . . . . . 24 ILE CO . 25632 1
219 . 1 1 29 29 ILE CA C 13 58.208 0.037 . . . . . . 24 ILE CA . 25632 1
220 . 1 1 29 29 ILE CB C 13 35.697 0.034 . . . . . . 24 ILE CB . 25632 1
221 . 1 1 29 29 ILE N N 15 120.895 0.055 . . . . . . 24 ILE N . 25632 1
222 . 1 1 30 30 THR H H 1 8.477 0.005 . . . . . . 25 THR HN . 25632 1
223 . 1 1 30 30 THR HA H 1 4.647 0.000 . . . . . . 25 THR HA . 25632 1
224 . 1 1 30 30 THR CA C 13 57.599 0.000 . . . . . . 25 THR CA . 25632 1
225 . 1 1 30 30 THR CB C 13 67.269 0.000 . . . . . . 25 THR CB . 25632 1
226 . 1 1 30 30 THR N N 15 123.198 0.036 . . . . . . 25 THR N . 25632 1
227 . 1 1 31 31 PRO HA H 1 4.493 0.000 . . . . . . 26 PRO HA . 25632 1
228 . 1 1 31 31 PRO HB2 H 1 2.314 0.000 . . . . . . 26 PRO QB . 25632 1
229 . 1 1 31 31 PRO HB3 H 1 2.314 0.000 . . . . . . 26 PRO QB . 25632 1
230 . 1 1 31 31 PRO HG2 H 1 2.044 0.004 . . . . . . 26 PRO HG2 . 25632 1
231 . 1 1 31 31 PRO HG3 H 1 1.919 0.006 . . . . . . 26 PRO HG3 . 25632 1
232 . 1 1 31 31 PRO HD2 H 1 3.899 0.001 . . . . . . 26 PRO HD2 . 25632 1
233 . 1 1 31 31 PRO HD3 H 1 3.730 0.002 . . . . . . 26 PRO HD3 . 25632 1
234 . 1 1 31 31 PRO C C 13 174.452 0.005 . . . . . . 26 PRO CO . 25632 1
235 . 1 1 31 31 PRO CA C 13 60.456 0.087 . . . . . . 26 PRO CA . 25632 1
236 . 1 1 31 31 PRO CB C 13 29.405 0.037 . . . . . . 26 PRO CB . 25632 1
237 . 1 1 32 32 THR H H 1 8.335 0.004 . . . . . . 27 THR HN . 25632 1
238 . 1 1 32 32 THR HA H 1 4.263 0.000 . . . . . . 27 THR HA . 25632 1
239 . 1 1 32 32 THR HG21 H 1 1.239 0.002 . . . . . . 27 THR QG2 . 25632 1
240 . 1 1 32 32 THR HG22 H 1 1.239 0.002 . . . . . . 27 THR QG2 . 25632 1
241 . 1 1 32 32 THR HG23 H 1 1.239 0.002 . . . . . . 27 THR QG2 . 25632 1
242 . 1 1 32 32 THR C C 13 172.202 0.049 . . . . . . 27 THR CO . 25632 1
243 . 1 1 32 32 THR CA C 13 59.504 0.018 . . . . . . 27 THR CA . 25632 1
244 . 1 1 32 32 THR CB C 13 67.503 0.089 . . . . . . 27 THR CB . 25632 1
245 . 1 1 32 32 THR N N 15 115.094 0.067 . . . . . . 27 THR N . 25632 1
246 . 1 1 33 33 GLN H H 1 8.630 0.007 . . . . . . 28 GLN HN . 25632 1
247 . 1 1 33 33 GLN HA H 1 4.267 0.000 . . . . . . 28 GLN HA . 25632 1
248 . 1 1 33 33 GLN HB2 H 1 2.087 0.000 . . . . . . 28 GLN HB2 . 25632 1
249 . 1 1 33 33 GLN HB3 H 1 2.018 0.000 . . . . . . 28 GLN HB3 . 25632 1
250 . 1 1 33 33 GLN HG2 H 1 2.375 0.000 . . . . . . 28 GLN QG . 25632 1
251 . 1 1 33 33 GLN HG3 H 1 2.375 0.000 . . . . . . 28 GLN QG . 25632 1
252 . 1 1 33 33 GLN C C 13 173.772 0.000 . . . . . . 28 GLN CO . 25632 1
253 . 1 1 33 33 GLN CA C 13 53.766 0.000 . . . . . . 28 GLN CA . 25632 1
254 . 1 1 33 33 GLN CB C 13 26.110 0.000 . . . . . . 28 GLN CB . 25632 1
255 . 1 1 33 33 GLN N N 15 122.489 0.040 . . . . . . 28 GLN N . 25632 1
256 . 1 1 34 34 GLN HA H 1 4.256 0.000 . . . . . . 29 GLN HA . 25632 1
257 . 1 1 34 34 GLN HB2 H 1 2.070 0.000 . . . . . . 29 GLN HB2 . 25632 1
258 . 1 1 34 34 GLN HB3 H 1 1.993 0.000 . . . . . . 29 GLN HB3 . 25632 1
259 . 1 1 34 34 GLN HG2 H 1 2.378 0.000 . . . . . . 29 GLN QG . 25632 1
260 . 1 1 34 34 GLN HG3 H 1 2.378 0.000 . . . . . . 29 GLN QG . 25632 1
261 . 1 1 34 34 GLN N N 15 121.081 0.000 . . . . . . 29 GLN N . 25632 1
262 . 1 1 35 35 GLN H H 1 8.438 0.000 . . . . . . 30 GLN HN . 25632 1
263 . 1 1 36 36 ARG HB2 H 1 1.807 0.000 . . . . . . 31 ARG QB . 25632 1
264 . 1 1 36 36 ARG HB3 H 1 1.807 0.000 . . . . . . 31 ARG QB . 25632 1
265 . 1 1 36 36 ARG HG2 H 1 1.637 0.000 . . . . . . 31 ARG QG . 25632 1
266 . 1 1 36 36 ARG HG3 H 1 1.637 0.000 . . . . . . 31 ARG QG . 25632 1
267 . 1 1 37 37 GLN H H 1 8.388 0.003 . . . . . . 32 GLN HN . 25632 1
268 . 1 1 37 37 GLN HA H 1 4.249 0.002 . . . . . . 32 GLN HA . 25632 1
269 . 1 1 37 37 GLN HB2 H 1 2.063 0.000 . . . . . . 32 GLN QB . 25632 1
270 . 1 1 37 37 GLN HB3 H 1 2.063 0.000 . . . . . . 32 GLN QB . 25632 1
271 . 1 1 37 37 GLN HG2 H 1 2.374 0.001 . . . . . . 32 GLN QG . 25632 1
272 . 1 1 37 37 GLN HG3 H 1 2.374 0.001 . . . . . . 32 GLN QG . 25632 1
273 . 1 1 37 37 GLN C C 13 173.639 0.015 . . . . . . 32 GLN CO . 25632 1
274 . 1 1 37 37 GLN CA C 13 53.771 0.035 . . . . . . 32 GLN CA . 25632 1
275 . 1 1 37 37 GLN CB C 13 26.409 0.003 . . . . . . 32 GLN CB . 25632 1
276 . 1 1 37 37 GLN N N 15 121.700 0.000 . . . . . . 32 GLN N . 25632 1
277 . 1 1 38 38 VAL H H 1 8.106 0.006 . . . . . . 33 VAL HN . 25632 1
278 . 1 1 38 38 VAL HA H 1 4.034 0.002 . . . . . . 33 VAL HA . 25632 1
279 . 1 1 38 38 VAL HB H 1 2.071 0.000 . . . . . . 33 VAL HB . 25632 1
280 . 1 1 38 38 VAL HG11 H 1 0.950 0.007 . . . . . . 33 VAL QQG . 25632 1
281 . 1 1 38 38 VAL HG12 H 1 0.950 0.007 . . . . . . 33 VAL QQG . 25632 1
282 . 1 1 38 38 VAL HG13 H 1 0.950 0.007 . . . . . . 33 VAL QQG . 25632 1
283 . 1 1 38 38 VAL HG21 H 1 0.950 0.007 . . . . . . 33 VAL QQG . 25632 1
284 . 1 1 38 38 VAL HG22 H 1 0.950 0.007 . . . . . . 33 VAL QQG . 25632 1
285 . 1 1 38 38 VAL HG23 H 1 0.950 0.007 . . . . . . 33 VAL QQG . 25632 1
286 . 1 1 38 38 VAL C C 13 173.898 0.031 . . . . . . 33 VAL CO . 25632 1
287 . 1 1 38 38 VAL CA C 13 60.799 0.089 . . . . . . 33 VAL CA . 25632 1
288 . 1 1 38 38 VAL CB C 13 29.696 0.051 . . . . . . 33 VAL CB . 25632 1
289 . 1 1 38 38 VAL N N 15 120.952 0.043 . . . . . . 33 VAL N . 25632 1
290 . 1 1 39 39 GLN H H 1 8.289 0.005 . . . . . . 34 GLN HN . 25632 1
291 . 1 1 39 39 GLN HA H 1 4.309 0.005 . . . . . . 34 GLN HA . 25632 1
292 . 1 1 39 39 GLN HB2 H 1 2.057 0.001 . . . . . . 34 GLN QB . 25632 1
293 . 1 1 39 39 GLN HB3 H 1 2.057 0.001 . . . . . . 34 GLN QB . 25632 1
294 . 1 1 39 39 GLN HG2 H 1 2.369 0.006 . . . . . . 34 GLN QG . 25632 1
295 . 1 1 39 39 GLN HG3 H 1 2.369 0.006 . . . . . . 34 GLN QG . 25632 1
296 . 1 1 39 39 GLN C C 13 173.739 0.026 . . . . . . 34 GLN CO . 25632 1
297 . 1 1 39 39 GLN CA C 13 53.732 0.046 . . . . . . 34 GLN CA . 25632 1
298 . 1 1 39 39 GLN CB C 13 26.372 0.068 . . . . . . 34 GLN CB . 25632 1
299 . 1 1 39 39 GLN N N 15 123.254 0.036 . . . . . . 34 GLN N . 25632 1
300 . 1 1 40 40 LEU H H 1 8.317 0.005 . . . . . . 35 LEU HN . 25632 1
301 . 1 1 40 40 LEU HA H 1 4.298 0.000 . . . . . . 35 LEU HA . 25632 1
302 . 1 1 40 40 LEU HB2 H 1 1.673 0.008 . . . . . . 35 LEU QB . 25632 1
303 . 1 1 40 40 LEU HB3 H 1 1.673 0.008 . . . . . . 35 LEU QB . 25632 1
304 . 1 1 40 40 LEU HG H 1 1.564 0.000 . . . . . . 35 LEU HG . 25632 1
305 . 1 1 40 40 LEU HD11 H 1 0.876 0.004 . . . . . . 35 LEU QQD . 25632 1
306 . 1 1 40 40 LEU HD12 H 1 0.876 0.004 . . . . . . 35 LEU QQD . 25632 1
307 . 1 1 40 40 LEU HD13 H 1 0.876 0.004 . . . . . . 35 LEU QQD . 25632 1
308 . 1 1 40 40 LEU HD21 H 1 0.876 0.004 . . . . . . 35 LEU QQD . 25632 1
309 . 1 1 40 40 LEU HD22 H 1 0.876 0.004 . . . . . . 35 LEU QQD . 25632 1
310 . 1 1 40 40 LEU HD23 H 1 0.876 0.004 . . . . . . 35 LEU QQD . 25632 1
311 . 1 1 40 40 LEU C C 13 175.147 0.051 . . . . . . 35 LEU CO . 25632 1
312 . 1 1 40 40 LEU CA C 13 53.541 0.055 . . . . . . 35 LEU CA . 25632 1
313 . 1 1 40 40 LEU CB C 13 39.603 0.072 . . . . . . 35 LEU CB . 25632 1
314 . 1 1 40 40 LEU N N 15 123.751 0.037 . . . . . . 35 LEU N . 25632 1
315 . 1 1 41 41 ASP H H 1 8.401 0.004 . . . . . . 36 ASP HN . 25632 1
316 . 1 1 41 41 ASP HA H 1 4.542 0.002 . . . . . . 36 ASP HA . 25632 1
317 . 1 1 41 41 ASP HB2 H 1 2.694 0.005 . . . . . . 36 ASP QB . 25632 1
318 . 1 1 41 41 ASP HB3 H 1 2.694 0.005 . . . . . . 36 ASP QB . 25632 1
319 . 1 1 41 41 ASP C C 13 174.118 0.043 . . . . . . 36 ASP CO . 25632 1
320 . 1 1 41 41 ASP CA C 13 52.137 0.068 . . . . . . 36 ASP CA . 25632 1
321 . 1 1 41 41 ASP CB C 13 38.240 0.110 . . . . . . 36 ASP CB . 25632 1
322 . 1 1 41 41 ASP N N 15 121.155 0.103 . . . . . . 36 ASP N . 25632 1
323 . 1 1 42 42 ALA H H 1 8.220 0.006 . . . . . . 37 ALA HN . 25632 1
324 . 1 1 42 42 ALA HA H 1 4.223 0.000 . . . . . . 37 ALA HA . 25632 1
325 . 1 1 42 42 ALA HB1 H 1 1.433 0.001 . . . . . . 37 ALA QB . 25632 1
326 . 1 1 42 42 ALA HB2 H 1 1.433 0.001 . . . . . . 37 ALA QB . 25632 1
327 . 1 1 42 42 ALA HB3 H 1 1.433 0.001 . . . . . . 37 ALA QB . 25632 1
328 . 1 1 42 42 ALA C C 13 176.195 0.017 . . . . . . 37 ALA CO . 25632 1
329 . 1 1 42 42 ALA CA C 13 51.291 0.168 . . . . . . 37 ALA CA . 25632 1
330 . 1 1 42 42 ALA CB C 13 15.878 0.089 . . . . . . 37 ALA CB . 25632 1
331 . 1 1 42 42 ALA N N 15 124.188 0.071 . . . . . . 37 ALA N . 25632 1
332 . 1 1 43 43 GLN H H 1 8.233 0.006 . . . . . . 38 GLN HN . 25632 1
333 . 1 1 43 43 GLN HA H 1 4.215 0.000 . . . . . . 38 GLN HA . 25632 1
334 . 1 1 43 43 GLN HB2 H 1 2.136 0.001 . . . . . . 38 GLN HB2 . 25632 1
335 . 1 1 43 43 GLN HB3 H 1 2.072 0.006 . . . . . . 38 GLN HB3 . 25632 1
336 . 1 1 43 43 GLN HG2 H 1 2.397 0.002 . . . . . . 38 GLN QG . 25632 1
337 . 1 1 43 43 GLN HG3 H 1 2.397 0.002 . . . . . . 38 GLN QG . 25632 1
338 . 1 1 43 43 GLN C C 13 174.283 0.050 . . . . . . 38 GLN CO . 25632 1
339 . 1 1 43 43 GLN CA C 13 54.215 0.051 . . . . . . 38 GLN CA . 25632 1
340 . 1 1 43 43 GLN CB C 13 26.131 0.018 . . . . . . 38 GLN CB . 25632 1
341 . 1 1 43 43 GLN N N 15 118.170 0.022 . . . . . . 38 GLN N . 25632 1
342 . 1 1 44 44 ALA H H 1 8.092 0.004 . . . . . . 39 ALA HN . 25632 1
343 . 1 1 44 44 ALA HA H 1 4.216 0.000 . . . . . . 39 ALA HA . 25632 1
344 . 1 1 44 44 ALA HB1 H 1 1.438 0.000 . . . . . . 39 ALA QB . 25632 1
345 . 1 1 44 44 ALA HB2 H 1 1.438 0.000 . . . . . . 39 ALA QB . 25632 1
346 . 1 1 44 44 ALA HB3 H 1 1.438 0.000 . . . . . . 39 ALA QB . 25632 1
347 . 1 1 44 44 ALA C C 13 175.898 0.046 . . . . . . 39 ALA CO . 25632 1
348 . 1 1 44 44 ALA CA C 13 50.840 0.011 . . . . . . 39 ALA CA . 25632 1
349 . 1 1 44 44 ALA CB C 13 15.836 0.163 . . . . . . 39 ALA CB . 25632 1
350 . 1 1 44 44 ALA N N 15 123.959 0.059 . . . . . . 39 ALA N . 25632 1
351 . 1 1 45 45 ALA H H 1 8.131 0.010 . . . . . . 40 ALA HN . 25632 1
352 . 1 1 45 45 ALA HA H 1 4.217 0.000 . . . . . . 40 ALA HA . 25632 1
353 . 1 1 45 45 ALA HB1 H 1 1.426 0.000 . . . . . . 40 ALA QB . 25632 1
354 . 1 1 45 45 ALA HB2 H 1 1.426 0.000 . . . . . . 40 ALA QB . 25632 1
355 . 1 1 45 45 ALA HB3 H 1 1.426 0.000 . . . . . . 40 ALA QB . 25632 1
356 . 1 1 45 45 ALA C C 13 175.945 0.041 . . . . . . 40 ALA CO . 25632 1
357 . 1 1 45 45 ALA CA C 13 50.579 0.123 . . . . . . 40 ALA CA . 25632 1
358 . 1 1 45 45 ALA CB C 13 15.831 0.093 . . . . . . 40 ALA CB . 25632 1
359 . 1 1 45 45 ALA N N 15 121.646 0.080 . . . . . . 40 ALA N . 25632 1
360 . 1 1 46 46 GLN H H 1 8.085 0.003 . . . . . . 41 GLN HN . 25632 1
361 . 1 1 46 46 GLN HA H 1 4.223 0.000 . . . . . . 41 GLN HA . 25632 1
362 . 1 1 46 46 GLN HB2 H 1 2.131 0.000 . . . . . . 41 GLN HB2 . 25632 1
363 . 1 1 46 46 GLN HB3 H 1 2.042 0.000 . . . . . . 41 GLN HB3 . 25632 1
364 . 1 1 46 46 GLN HG2 H 1 2.403 0.000 . . . . . . 41 GLN QG . 25632 1
365 . 1 1 46 46 GLN HG3 H 1 2.403 0.000 . . . . . . 41 GLN QG . 25632 1
366 . 1 1 46 46 GLN C C 13 173.838 0.032 . . . . . . 41 GLN CO . 25632 1
367 . 1 1 46 46 GLN CA C 13 53.970 0.000 . . . . . . 41 GLN CA . 25632 1
368 . 1 1 46 46 GLN CB C 13 26.423 0.012 . . . . . . 41 GLN CB . 25632 1
369 . 1 1 46 46 GLN N N 15 118.411 0.059 . . . . . . 41 GLN N . 25632 1
370 . 1 1 47 47 GLN H H 1 8.316 0.005 . . . . . . 42 GLN HN . 25632 1
371 . 1 1 47 47 GLN HA H 1 4.245 0.000 . . . . . . 42 GLN HA . 25632 1
372 . 1 1 47 47 GLN HB2 H 1 2.060 0.000 . . . . . . 42 GLN QB . 25632 1
373 . 1 1 47 47 GLN HB3 H 1 2.060 0.000 . . . . . . 42 GLN QB . 25632 1
374 . 1 1 47 47 GLN HG2 H 1 2.383 0.004 . . . . . . 42 GLN QG . 25632 1
375 . 1 1 47 47 GLN HG3 H 1 2.383 0.004 . . . . . . 42 GLN QG . 25632 1
376 . 1 1 47 47 GLN C C 13 173.794 0.045 . . . . . . 42 GLN CO . 25632 1
377 . 1 1 47 47 GLN CA C 13 53.947 0.107 . . . . . . 42 GLN CA . 25632 1
378 . 1 1 47 47 GLN CB C 13 26.278 0.130 . . . . . . 42 GLN CB . 25632 1
379 . 1 1 47 47 GLN N N 15 121.337 0.041 . . . . . . 42 GLN N . 25632 1
380 . 1 1 48 48 LEU H H 1 8.086 0.003 . . . . . . 43 LEU HN . 25632 1
381 . 1 1 48 48 LEU HA H 1 4.263 0.004 . . . . . . 43 LEU HA . 25632 1
382 . 1 1 48 48 LEU HB2 H 1 1.630 0.000 . . . . . . 43 LEU QB . 25632 1
383 . 1 1 48 48 LEU HB3 H 1 1.630 0.000 . . . . . . 43 LEU QB . 25632 1
384 . 1 1 48 48 LEU HG H 1 1.505 0.000 . . . . . . 43 LEU HG . 25632 1
385 . 1 1 48 48 LEU HD11 H 1 0.880 0.000 . . . . . . 43 LEU QQD . 25632 1
386 . 1 1 48 48 LEU HD12 H 1 0.880 0.000 . . . . . . 43 LEU QQD . 25632 1
387 . 1 1 48 48 LEU HD13 H 1 0.880 0.000 . . . . . . 43 LEU QQD . 25632 1
388 . 1 1 48 48 LEU HD21 H 1 0.880 0.000 . . . . . . 43 LEU QQD . 25632 1
389 . 1 1 48 48 LEU HD22 H 1 0.880 0.000 . . . . . . 43 LEU QQD . 25632 1
390 . 1 1 48 48 LEU HD23 H 1 0.880 0.000 . . . . . . 43 LEU QQD . 25632 1
391 . 1 1 48 48 LEU C C 13 174.838 0.026 . . . . . . 43 LEU CO . 25632 1
392 . 1 1 48 48 LEU CA C 13 53.590 0.075 . . . . . . 43 LEU CA . 25632 1
393 . 1 1 48 48 LEU CB C 13 39.488 0.162 . . . . . . 43 LEU CB . 25632 1
394 . 1 1 48 48 LEU N N 15 122.334 0.042 . . . . . . 43 LEU N . 25632 1
395 . 1 1 49 49 GLN H H 1 8.171 0.007 . . . . . . 44 GLN HN . 25632 1
396 . 1 1 49 49 GLN HA H 1 4.246 0.003 . . . . . . 44 GLN HA . 25632 1
397 . 1 1 49 49 GLN HB2 H 1 2.119 0.000 . . . . . . 44 GLN HB2 . 25632 1
398 . 1 1 49 49 GLN HB3 H 1 2.032 0.000 . . . . . . 44 GLN HB3 . 25632 1
399 . 1 1 49 49 GLN HG2 H 1 2.395 0.000 . . . . . . 44 GLN QG . 25632 1
400 . 1 1 49 49 GLN HG3 H 1 2.395 0.000 . . . . . . 44 GLN QG . 25632 1
401 . 1 1 49 49 GLN C C 13 173.180 0.017 . . . . . . 44 GLN CO . 25632 1
402 . 1 1 49 49 GLN CA C 13 53.568 0.054 . . . . . . 44 GLN CA . 25632 1
403 . 1 1 49 49 GLN CB C 13 26.404 0.074 . . . . . . 44 GLN CB . 25632 1
404 . 1 1 49 49 GLN N N 15 119.940 0.041 . . . . . . 44 GLN N . 25632 1
405 . 1 1 50 50 TYR H H 1 8.203 0.005 . . . . . . 45 TYR HN . 25632 1
406 . 1 1 50 50 TYR HA H 1 4.590 0.004 . . . . . . 45 TYR HA . 25632 1
407 . 1 1 50 50 TYR HB2 H 1 3.100 0.001 . . . . . . 45 TYR HB2 . 25632 1
408 . 1 1 50 50 TYR HB3 H 1 2.957 0.006 . . . . . . 45 TYR HB3 . 25632 1
409 . 1 1 50 50 TYR C C 13 173.852 0.019 . . . . . . 45 TYR CO . 25632 1
410 . 1 1 50 50 TYR CA C 13 55.558 0.048 . . . . . . 45 TYR CA . 25632 1
411 . 1 1 50 50 TYR CB C 13 36.075 0.108 . . . . . . 45 TYR CB . 25632 1
412 . 1 1 50 50 TYR N N 15 120.726 0.027 . . . . . . 45 TYR N . 25632 1
413 . 1 1 51 51 GLY H H 1 8.330 0.005 . . . . . . 46 GLY HN . 25632 1
414 . 1 1 51 51 GLY HA2 H 1 3.925 0.000 . . . . . . 46 GLY QA . 25632 1
415 . 1 1 51 51 GLY HA3 H 1 3.925 0.000 . . . . . . 46 GLY QA . 25632 1
416 . 1 1 51 51 GLY C C 13 171.915 0.005 . . . . . . 46 GLY CO . 25632 1
417 . 1 1 51 51 GLY CA C 13 42.703 0.047 . . . . . . 46 GLY CA . 25632 1
418 . 1 1 51 51 GLY N N 15 110.863 0.060 . . . . . . 46 GLY N . 25632 1
419 . 1 1 52 52 GLY H H 1 7.933 0.006 . . . . . . 47 GLY HN . 25632 1
420 . 1 1 52 52 GLY HA2 H 1 3.920 0.001 . . . . . . 47 GLY QA . 25632 1
421 . 1 1 52 52 GLY HA3 H 1 3.920 0.001 . . . . . . 47 GLY QA . 25632 1
422 . 1 1 52 52 GLY C C 13 170.935 0.031 . . . . . . 47 GLY CO . 25632 1
423 . 1 1 52 52 GLY CA C 13 42.527 0.160 . . . . . . 47 GLY CA . 25632 1
424 . 1 1 52 52 GLY N N 15 108.305 0.067 . . . . . . 47 GLY N . 25632 1
425 . 1 1 53 53 ALA H H 1 8.168 0.004 . . . . . . 48 ALA HN . 25632 1
426 . 1 1 53 53 ALA HA H 1 4.376 0.001 . . . . . . 48 ALA HA . 25632 1
427 . 1 1 53 53 ALA HB1 H 1 1.372 0.001 . . . . . . 48 ALA QB . 25632 1
428 . 1 1 53 53 ALA HB2 H 1 1.372 0.001 . . . . . . 48 ALA QB . 25632 1
429 . 1 1 53 53 ALA HB3 H 1 1.372 0.001 . . . . . . 48 ALA QB . 25632 1
430 . 1 1 53 53 ALA C C 13 175.204 0.019 . . . . . . 48 ALA CO . 25632 1
431 . 1 1 53 53 ALA CA C 13 49.874 0.049 . . . . . . 48 ALA CA . 25632 1
432 . 1 1 53 53 ALA CB C 13 16.353 0.091 . . . . . . 48 ALA CB . 25632 1
433 . 1 1 53 53 ALA N N 15 123.644 0.029 . . . . . . 48 ALA N . 25632 1
434 . 1 1 54 54 VAL H H 1 8.160 0.004 . . . . . . 49 VAL HN . 25632 1
435 . 1 1 54 54 VAL HA H 1 4.121 0.000 . . . . . . 49 VAL HA . 25632 1
436 . 1 1 54 54 VAL HB H 1 2.077 0.000 . . . . . . 49 VAL HB . 25632 1
437 . 1 1 54 54 VAL HG11 H 1 0.945 0.000 . . . . . . 49 VAL QQG . 25632 1
438 . 1 1 54 54 VAL HG12 H 1 0.945 0.000 . . . . . . 49 VAL QQG . 25632 1
439 . 1 1 54 54 VAL HG13 H 1 0.945 0.000 . . . . . . 49 VAL QQG . 25632 1
440 . 1 1 54 54 VAL HG21 H 1 0.945 0.000 . . . . . . 49 VAL QQG . 25632 1
441 . 1 1 54 54 VAL HG22 H 1 0.945 0.000 . . . . . . 49 VAL QQG . 25632 1
442 . 1 1 54 54 VAL HG23 H 1 0.945 0.000 . . . . . . 49 VAL QQG . 25632 1
443 . 1 1 54 54 VAL C C 13 174.043 0.051 . . . . . . 49 VAL CO . 25632 1
444 . 1 1 54 54 VAL CA C 13 59.941 0.029 . . . . . . 49 VAL CA . 25632 1
445 . 1 1 54 54 VAL CB C 13 29.831 0.087 . . . . . . 49 VAL CB . 25632 1
446 . 1 1 54 54 VAL N N 15 119.466 0.074 . . . . . . 49 VAL N . 25632 1
447 . 1 1 55 55 GLY H H 1 8.463 0.004 . . . . . . 50 GLY HN . 25632 1
448 . 1 1 55 55 GLY HA2 H 1 4.109 0.000 . . . . . . 50 GLY HA2 . 25632 1
449 . 1 1 55 55 GLY HA3 H 1 3.994 0.000 . . . . . . 50 GLY HA3 . 25632 1
450 . 1 1 55 55 GLY C C 13 171.479 0.028 . . . . . . 50 GLY CO . 25632 1
451 . 1 1 55 55 GLY CA C 13 42.397 0.084 . . . . . . 50 GLY CA . 25632 1
452 . 1 1 55 55 GLY N N 15 112.457 0.033 . . . . . . 50 GLY N . 25632 1
453 . 1 1 56 56 THR H H 1 8.065 0.005 . . . . . . 51 THR HN . 25632 1
454 . 1 1 56 56 THR HA H 1 4.381 0.000 . . . . . . 51 THR HA . 25632 1
455 . 1 1 56 56 THR C C 13 171.816 0.039 . . . . . . 51 THR CO . 25632 1
456 . 1 1 56 56 THR CA C 13 59.270 0.065 . . . . . . 51 THR CA . 25632 1
457 . 1 1 56 56 THR CB C 13 67.527 0.072 . . . . . . 51 THR CB . 25632 1
458 . 1 1 56 56 THR N N 15 114.123 0.058 . . . . . . 51 THR N . 25632 1
459 . 1 1 57 57 VAL H H 1 8.228 0.007 . . . . . . 52 VAL HN . 25632 1
460 . 1 1 57 57 VAL HA H 1 4.197 0.006 . . . . . . 52 VAL HA . 25632 1
461 . 1 1 57 57 VAL HB H 1 2.089 0.000 . . . . . . 52 VAL HB . 25632 1
462 . 1 1 57 57 VAL C C 13 172.871 0.033 . . . . . . 52 VAL CO . 25632 1
463 . 1 1 57 57 VAL CA C 13 59.596 0.117 . . . . . . 52 VAL CA . 25632 1
464 . 1 1 57 57 VAL CB C 13 30.058 0.058 . . . . . . 52 VAL CB . 25632 1
465 . 1 1 57 57 VAL N N 15 122.518 0.075 . . . . . . 52 VAL N . 25632 1
466 . 1 1 58 58 GLY H H 1 8.052 0.006 . . . . . . 53 GLY HN . 25632 1
467 . 1 1 58 58 GLY HA2 H 1 3.776 0.000 . . . . . . 53 GLY QA . 25632 1
468 . 1 1 58 58 GLY HA3 H 1 3.776 0.000 . . . . . . 53 GLY QA . 25632 1
469 . 1 1 58 58 GLY C C 13 176.184 0.000 . . . . . . 53 GLY CO . 25632 1
470 . 1 1 58 58 GLY CA C 13 43.358 0.000 . . . . . . 53 GLY CA . 25632 1
471 . 1 1 58 58 GLY N N 15 119.084 0.050 . . . . . . 53 GLY N . 25632 1
stop_
save_