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 11081
_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' 1 $sample_1 isotropic 11081 1
2 '3D HNCACB' 2 $sample_2 isotropic 11081 1
3 '3D CBCA(CO)NH' 2 $sample_2 isotropic 11081 1
4 '3D HNCO' 2 $sample_2 isotropic 11081 1
5 '3D HN(CA)CO' 2 $sample_2 isotropic 11081 1
6 '3D H(CCO)NH' 2 $sample_2 isotropic 11081 1
7 '3D HCCH-TOCSY' 3 $sample_3 isotropic 11081 1
8 '3D 15N-edited NOESY' 1 $sample_1 isotropic 11081 1
9 '3D 13C-edited NOESY' 3 $sample_3 isotropic 11081 1
10 '2D 1H-13C HSQC' 4 $sample_4 isotropic 11081 1
11 '2D 1H-13C CT-HSQC' 4 $sample_4 isotropic 11081 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 1 1 VAL HA H 1 4.036 0.005 . 1 . . . . 1069 VAL HA . 11081 1
2 . 1 1 1 1 VAL HB H 1 1.948 0.005 . 1 . . . . 1069 VAL HB . 11081 1
3 . 1 1 1 1 VAL HG11 H 1 0.892 0.005 . 1 . . . . 1069 VAL HG11 . 11081 1
4 . 1 1 1 1 VAL HG12 H 1 0.892 0.005 . 1 . . . . 1069 VAL HG12 . 11081 1
5 . 1 1 1 1 VAL HG13 H 1 0.892 0.005 . 1 . . . . 1069 VAL HG13 . 11081 1
6 . 1 1 1 1 VAL HG21 H 1 0.920 0.008 . 1 . . . . 1069 VAL HG21 . 11081 1
7 . 1 1 1 1 VAL HG22 H 1 0.920 0.008 . 1 . . . . 1069 VAL HG22 . 11081 1
8 . 1 1 1 1 VAL HG23 H 1 0.920 0.008 . 1 . . . . 1069 VAL HG23 . 11081 1
9 . 1 1 1 1 VAL C C 13 175.212 0.008 . 1 . . . . 1069 VAL CO . 11081 1
10 . 1 1 1 1 VAL CA C 13 62.260 0.082 . 1 . . . . 1069 VAL CA . 11081 1
11 . 1 1 1 1 VAL CB C 13 33.067 0.050 . 1 . . . . 1069 VAL CB . 11081 1
12 . 1 1 1 1 VAL CG1 C 13 21.534 0.036 . 1 . . . . 1069 VAL CG1 . 11081 1
13 . 1 1 1 1 VAL CG2 C 13 20.865 0.031 . 1 . . . . 1069 VAL CG2 . 11081 1
14 . 1 1 1 1 VAL N N 15 122.730 0.054 . 1 . . . . 1069 VAL N . 11081 1
15 . 1 1 2 2 ARG H H 1 8.640 0.006 . 1 . . . . 1070 ARG H . 11081 1
16 . 1 1 2 2 ARG HA H 1 4.475 0.004 . 1 . . . . 1070 ARG HA . 11081 1
17 . 1 1 2 2 ARG HB2 H 1 1.756 0.010 . 2 . . . . 1070 ARG HB2 . 11081 1
18 . 1 1 2 2 ARG HB3 H 1 1.809 0.009 . 2 . . . . 1070 ARG HB3 . 11081 1
19 . 1 1 2 2 ARG HD2 H 1 3.017 0.009 . 2 . . . . 1070 ARG HD2 . 11081 1
20 . 1 1 2 2 ARG HD3 H 1 2.994 0.003 . 2 . . . . 1070 ARG HD3 . 11081 1
21 . 1 1 2 2 ARG HG2 H 1 1.638 0.006 . 2 . . . . 1070 ARG HG2 . 11081 1
22 . 1 1 2 2 ARG HG3 H 1 1.502 0.004 . 2 . . . . 1070 ARG HG3 . 11081 1
23 . 1 1 2 2 ARG C C 13 174.220 0.007 . 1 . . . . 1070 ARG CO . 11081 1
24 . 1 1 2 2 ARG CA C 13 55.728 0.062 . 1 . . . . 1070 ARG CA . 11081 1
25 . 1 1 2 2 ARG CB C 13 32.096 0.073 . 1 . . . . 1070 ARG CB . 11081 1
26 . 1 1 2 2 ARG CD C 13 43.688 0.064 . 1 . . . . 1070 ARG CD . 11081 1
27 . 1 1 2 2 ARG CG C 13 26.508 0.076 . 1 . . . . 1070 ARG CG . 11081 1
28 . 1 1 2 2 ARG N N 15 127.214 0.037 . 1 . . . . 1070 ARG N . 11081 1
29 . 1 1 3 3 ARG H H 1 8.665 0.012 . 1 . . . . 1071 ARG H . 11081 1
30 . 1 1 3 3 ARG HA H 1 5.455 0.010 . 1 . . . . 1071 ARG HA . 11081 1
31 . 1 1 3 3 ARG HB2 H 1 1.703 0.013 . 2 . . . . 1071 ARG HB2 . 11081 1
32 . 1 1 3 3 ARG HB3 H 1 1.550 0.007 . 2 . . . . 1071 ARG HB3 . 11081 1
33 . 1 1 3 3 ARG HD2 H 1 3.153 0.007 . 2 . . . . 1071 ARG HD2 . 11081 1
34 . 1 1 3 3 ARG HD3 H 1 3.071 0.007 . 2 . . . . 1071 ARG HD3 . 11081 1
35 . 1 1 3 3 ARG HG2 H 1 1.562 0.006 . 2 . . . . 1071 ARG HG2 . 11081 1
36 . 1 1 3 3 ARG HG3 H 1 1.379 0.009 . 2 . . . . 1071 ARG HG3 . 11081 1
37 . 1 1 3 3 ARG C C 13 175.649 0.000 . 1 . . . . 1071 ARG CO . 11081 1
38 . 1 1 3 3 ARG CA C 13 54.588 0.053 . 1 . . . . 1071 ARG CA . 11081 1
39 . 1 1 3 3 ARG CB C 13 34.260 0.053 . 1 . . . . 1071 ARG CB . 11081 1
40 . 1 1 3 3 ARG CD C 13 43.415 0.060 . 1 . . . . 1071 ARG CD . 11081 1
41 . 1 1 3 3 ARG CG C 13 28.407 0.068 . 1 . . . . 1071 ARG CG . 11081 1
42 . 1 1 3 3 ARG N N 15 122.858 0.061 . 1 . . . . 1071 ARG N . 11081 1
43 . 1 1 4 4 VAL H H 1 8.930 0.005 . 1 . . . . 1072 VAL H . 11081 1
44 . 1 1 4 4 VAL HA H 1 5.091 0.041 . 1 . . . . 1072 VAL HA . 11081 1
45 . 1 1 4 4 VAL HB H 1 1.932 0.011 . 1 . . . . 1072 VAL HB . 11081 1
46 . 1 1 4 4 VAL HG11 H 1 1.052 0.009 . 1 . . . . 1072 VAL HG11 . 11081 1
47 . 1 1 4 4 VAL HG12 H 1 1.052 0.009 . 1 . . . . 1072 VAL HG12 . 11081 1
48 . 1 1 4 4 VAL HG13 H 1 1.052 0.009 . 1 . . . . 1072 VAL HG13 . 11081 1
49 . 1 1 4 4 VAL HG21 H 1 0.594 0.006 . 1 . . . . 1072 VAL HG21 . 11081 1
50 . 1 1 4 4 VAL HG22 H 1 0.594 0.006 . 1 . . . . 1072 VAL HG22 . 11081 1
51 . 1 1 4 4 VAL HG23 H 1 0.594 0.006 . 1 . . . . 1072 VAL HG23 . 11081 1
52 . 1 1 4 4 VAL C C 13 172.432 0.004 . 1 . . . . 1072 VAL CO . 11081 1
53 . 1 1 4 4 VAL CA C 13 58.010 0.066 . 1 . . . . 1072 VAL CA . 11081 1
54 . 1 1 4 4 VAL CB C 13 35.157 0.104 . 1 . . . . 1072 VAL CB . 11081 1
55 . 1 1 4 4 VAL CG1 C 13 22.786 0.014 . 1 . . . . 1072 VAL CG1 . 11081 1
56 . 1 1 4 4 VAL CG2 C 13 20.561 0.046 . 1 . . . . 1072 VAL CG2 . 11081 1
57 . 1 1 4 4 VAL N N 15 113.317 0.025 . 1 . . . . 1072 VAL N . 11081 1
58 . 1 1 5 5 LYS H H 1 9.053 0.002 . 1 . . . . 1073 LYS H . 11081 1
59 . 1 1 5 5 LYS HA H 1 5.391 0.006 . 1 . . . . 1073 LYS HA . 11081 1
60 . 1 1 5 5 LYS HB2 H 1 1.614 0.013 . 2 . . . . 1073 LYS HB2 . 11081 1
61 . 1 1 5 5 LYS HB3 H 1 1.457 0.006 . 2 . . . . 1073 LYS HB3 . 11081 1
62 . 1 1 5 5 LYS HD2 H 1 1.588 0.081 . 2 . . . . 1073 LYS HD2 . 11081 1
63 . 1 1 5 5 LYS HD3 H 1 1.601 0.009 . 2 . . . . 1073 LYS HD3 . 11081 1
64 . 1 1 5 5 LYS HE2 H 1 2.847 0.004 . 2 . . . . 1073 LYS HE2 . 11081 1
65 . 1 1 5 5 LYS HG2 H 1 1.350 0.011 . 2 . . . . 1073 LYS HG2 . 11081 1
66 . 1 1 5 5 LYS HG3 H 1 1.157 0.009 . 2 . . . . 1073 LYS HG3 . 11081 1
67 . 1 1 5 5 LYS C C 13 176.428 0.004 . 1 . . . . 1073 LYS CO . 11081 1
68 . 1 1 5 5 LYS CA C 13 53.286 0.068 . 1 . . . . 1073 LYS CA . 11081 1
69 . 1 1 5 5 LYS CB C 13 36.630 0.070 . 1 . . . . 1073 LYS CB . 11081 1
70 . 1 1 5 5 LYS CD C 13 29.469 0.017 . 1 . . . . 1073 LYS CD . 11081 1
71 . 1 1 5 5 LYS CE C 13 41.620 0.053 . 1 . . . . 1073 LYS CE . 11081 1
72 . 1 1 5 5 LYS CG C 13 24.803 0.054 . 1 . . . . 1073 LYS CG . 11081 1
73 . 1 1 5 5 LYS N N 15 122.061 0.025 . 1 . . . . 1073 LYS N . 11081 1
74 . 1 1 6 6 THR H H 1 9.288 0.020 . 1 . . . . 1074 THR H . 11081 1
75 . 1 1 6 6 THR HA H 1 4.413 0.010 . 1 . . . . 1074 THR HA . 11081 1
76 . 1 1 6 6 THR HB H 1 4.469 0.009 . 1 . . . . 1074 THR HB . 11081 1
77 . 1 1 6 6 THR HG1 H 1 5.599 0.002 . 1 . . . . 1074 THR HG1 . 11081 1
78 . 1 1 6 6 THR HG21 H 1 0.095 0.010 . 1 . . . . 1074 THR HG21 . 11081 1
79 . 1 1 6 6 THR HG22 H 1 0.095 0.010 . 1 . . . . 1074 THR HG22 . 11081 1
80 . 1 1 6 6 THR HG23 H 1 0.095 0.010 . 1 . . . . 1074 THR HG23 . 11081 1
81 . 1 1 6 6 THR C C 13 177.147 0.002 . 1 . . . . 1074 THR CO . 11081 1
82 . 1 1 6 6 THR CA C 13 61.507 0.123 . 1 . . . . 1074 THR CA . 11081 1
83 . 1 1 6 6 THR CB C 13 69.507 0.063 . 1 . . . . 1074 THR CB . 11081 1
84 . 1 1 6 6 THR CG2 C 13 22.953 0.001 . 1 . . . . 1074 THR CG2 . 11081 1
85 . 1 1 6 6 THR N N 15 118.365 0.152 . 1 . . . . 1074 THR N . 11081 1
86 . 1 1 7 7 ILE H H 1 8.836 0.010 . 1 . . . . 1075 ILE H . 11081 1
87 . 1 1 7 7 ILE HA H 1 4.308 0.007 . 1 . . . . 1075 ILE HA . 11081 1
88 . 1 1 7 7 ILE HB H 1 1.451 0.004 . 1 . . . . 1075 ILE HB . 11081 1
89 . 1 1 7 7 ILE HD11 H 1 0.400 0.006 . 1 . . . . 1075 ILE HD11 . 11081 1
90 . 1 1 7 7 ILE HD12 H 1 0.400 0.006 . 1 . . . . 1075 ILE HD12 . 11081 1
91 . 1 1 7 7 ILE HD13 H 1 0.400 0.006 . 1 . . . . 1075 ILE HD13 . 11081 1
92 . 1 1 7 7 ILE HG12 H 1 0.411 0.006 . 2 . . . . 1075 ILE HG12 . 11081 1
93 . 1 1 7 7 ILE HG13 H 1 0.291 0.031 . 2 . . . . 1075 ILE HG13 . 11081 1
94 . 1 1 7 7 ILE HG21 H 1 0.347 0.009 . 1 . . . . 1075 ILE HG21 . 11081 1
95 . 1 1 7 7 ILE HG22 H 1 0.347 0.009 . 1 . . . . 1075 ILE HG22 . 11081 1
96 . 1 1 7 7 ILE HG23 H 1 0.347 0.009 . 1 . . . . 1075 ILE HG23 . 11081 1
97 . 1 1 7 7 ILE C C 13 173.611 0.002 . 1 . . . . 1075 ILE CO . 11081 1
98 . 1 1 7 7 ILE CA C 13 61.125 0.200 . 1 . . . . 1075 ILE CA . 11081 1
99 . 1 1 7 7 ILE CB C 13 38.979 0.050 . 1 . . . . 1075 ILE CB . 11081 1
100 . 1 1 7 7 ILE CD1 C 13 13.760 0.026 . 1 . . . . 1075 ILE CD1 . 11081 1
101 . 1 1 7 7 ILE CG1 C 13 26.139 0.074 . 1 . . . . 1075 ILE CG1 . 11081 1
102 . 1 1 7 7 ILE CG2 C 13 17.407 0.077 . 1 . . . . 1075 ILE CG2 . 11081 1
103 . 1 1 7 7 ILE N N 15 118.138 0.043 . 1 . . . . 1075 ILE N . 11081 1
104 . 1 1 8 8 TYR H H 1 7.258 0.012 . 1 . . . . 1076 TYR H . 11081 1
105 . 1 1 8 8 TYR HA H 1 4.905 0.004 . 1 . . . . 1076 TYR HA . 11081 1
106 . 1 1 8 8 TYR HB2 H 1 3.121 0.005 . 2 . . . . 1076 TYR HB2 . 11081 1
107 . 1 1 8 8 TYR HB3 H 1 2.170 0.007 . 2 . . . . 1076 TYR HB3 . 11081 1
108 . 1 1 8 8 TYR HD1 H 1 6.590 0.008 . 3 . . . . 1076 TYR HD1 . 11081 1
109 . 1 1 8 8 TYR HD2 H 1 6.590 0.008 . 3 . . . . 1076 TYR HD2 . 11081 1
110 . 1 1 8 8 TYR HE1 H 1 6.615 0.004 . 3 . . . . 1076 TYR HE1 . 11081 1
111 . 1 1 8 8 TYR HE2 H 1 6.615 0.004 . 3 . . . . 1076 TYR HE2 . 11081 1
112 . 1 1 8 8 TYR C C 13 173.996 0.004 . 1 . . . . 1076 TYR CO . 11081 1
113 . 1 1 8 8 TYR CA C 13 54.741 0.086 . 1 . . . . 1076 TYR CA . 11081 1
114 . 1 1 8 8 TYR CB C 13 43.480 0.043 . 1 . . . . 1076 TYR CB . 11081 1
115 . 1 1 8 8 TYR CD1 C 13 133.340 0.045 . 3 . . . . 1076 TYR CD1 . 11081 1
116 . 1 1 8 8 TYR CD2 C 13 133.340 0.045 . 3 . . . . 1076 TYR CD2 . 11081 1
117 . 1 1 8 8 TYR CE1 C 13 117.481 0.074 . 3 . . . . 1076 TYR CE1 . 11081 1
118 . 1 1 8 8 TYR CE2 C 13 117.481 0.074 . 3 . . . . 1076 TYR CE2 . 11081 1
119 . 1 1 8 8 TYR N N 15 116.617 0.042 . 1 . . . . 1076 TYR N . 11081 1
120 . 1 1 9 9 ASP H H 1 8.250 0.002 . 1 . . . . 1077 ASP H . 11081 1
121 . 1 1 9 9 ASP HA H 1 4.657 0.009 . 1 . . . . 1077 ASP HA . 11081 1
122 . 1 1 9 9 ASP HB2 H 1 2.774 0.007 . 2 . . . . 1077 ASP HB2 . 11081 1
123 . 1 1 9 9 ASP HB3 H 1 2.592 0.006 . 2 . . . . 1077 ASP HB3 . 11081 1
124 . 1 1 9 9 ASP C C 13 175.727 0.005 . 1 . . . . 1077 ASP CO . 11081 1
125 . 1 1 9 9 ASP CA C 13 54.145 0.122 . 1 . . . . 1077 ASP CA . 11081 1
126 . 1 1 9 9 ASP CB C 13 41.607 0.039 . 1 . . . . 1077 ASP CB . 11081 1
127 . 1 1 9 9 ASP N N 15 117.525 0.041 . 1 . . . . 1077 ASP N . 11081 1
128 . 1 1 10 10 CYS H H 1 8.423 0.008 . 1 . . . . 1078 CYS H . 11081 1
129 . 1 1 10 10 CYS HA H 1 4.296 0.004 . 1 . . . . 1078 CYS HA . 11081 1
130 . 1 1 10 10 CYS HB2 H 1 1.990 0.004 . 2 . . . . 1078 CYS HB2 . 11081 1
131 . 1 1 10 10 CYS HB3 H 1 0.999 0.008 . 2 . . . . 1078 CYS HB3 . 11081 1
132 . 1 1 10 10 CYS C C 13 172.434 0.005 . 1 . . . . 1078 CYS CO . 11081 1
133 . 1 1 10 10 CYS CA C 13 58.569 0.069 . 1 . . . . 1078 CYS CA . 11081 1
134 . 1 1 10 10 CYS CB C 13 28.995 0.096 . 1 . . . . 1078 CYS CB . 11081 1
135 . 1 1 10 10 CYS N N 15 120.431 0.029 . 1 . . . . 1078 CYS N . 11081 1
136 . 1 1 11 11 GLN H H 1 8.635 0.006 . 1 . . . . 1079 GLN H . 11081 1
137 . 1 1 11 11 GLN HA H 1 4.527 0.008 . 1 . . . . 1079 GLN HA . 11081 1
138 . 1 1 11 11 GLN HB2 H 1 1.994 0.008 . 2 . . . . 1079 GLN HB2 . 11081 1
139 . 1 1 11 11 GLN HB3 H 1 1.939 0.009 . 2 . . . . 1079 GLN HB3 . 11081 1
140 . 1 1 11 11 GLN HG2 H 1 2.289 0.013 . 2 . . . . 1079 GLN HG2 . 11081 1
141 . 1 1 11 11 GLN HG3 H 1 2.266 0.010 . 2 . . . . 1079 GLN HG3 . 11081 1
142 . 1 1 11 11 GLN C C 13 174.691 0.000 . 1 . . . . 1079 GLN CO . 11081 1
143 . 1 1 11 11 GLN CA C 13 54.104 0.072 . 1 . . . . 1079 GLN CA . 11081 1
144 . 1 1 11 11 GLN CB C 13 29.054 0.074 . 1 . . . . 1079 GLN CB . 11081 1
145 . 1 1 11 11 GLN CG C 13 33.639 0.066 . 1 . . . . 1079 GLN CG . 11081 1
146 . 1 1 11 11 GLN N N 15 128.677 0.020 . 1 . . . . 1079 GLN N . 11081 1
147 . 1 1 12 12 ALA H H 1 8.043 0.018 . 1 . . . . 1080 ALA H . 11081 1
148 . 1 1 12 12 ALA HA H 1 4.248 0.002 . 1 . . . . 1080 ALA HA . 11081 1
149 . 1 1 12 12 ALA HB1 H 1 1.350 0.009 . 1 . . . . 1080 ALA HB1 . 11081 1
150 . 1 1 12 12 ALA HB2 H 1 1.350 0.009 . 1 . . . . 1080 ALA HB2 . 11081 1
151 . 1 1 12 12 ALA HB3 H 1 1.350 0.009 . 1 . . . . 1080 ALA HB3 . 11081 1
152 . 1 1 12 12 ALA C C 13 177.661 0.003 . 1 . . . . 1080 ALA CO . 11081 1
153 . 1 1 12 12 ALA CA C 13 52.663 0.103 . 1 . . . . 1080 ALA CA . 11081 1
154 . 1 1 12 12 ALA CB C 13 21.213 0.068 . 1 . . . . 1080 ALA CB . 11081 1
155 . 1 1 12 12 ALA N N 15 128.556 0.102 . 1 . . . . 1080 ALA N . 11081 1
156 . 1 1 13 13 ASP H H 1 8.744 0.014 . 1 . . . . 1081 ASP H . 11081 1
157 . 1 1 13 13 ASP HA H 1 4.716 0.008 . 1 . . . . 1081 ASP HA . 11081 1
158 . 1 1 13 13 ASP HB2 H 1 2.654 0.012 . 2 . . . . 1081 ASP HB2 . 11081 1
159 . 1 1 13 13 ASP HB3 H 1 2.643 0.000 . 2 . . . . 1081 ASP HB3 . 11081 1
160 . 1 1 13 13 ASP C C 13 175.491 0.007 . 1 . . . . 1081 ASP CO . 11081 1
161 . 1 1 13 13 ASP CA C 13 54.533 0.123 . 1 . . . . 1081 ASP CA . 11081 1
162 . 1 1 13 13 ASP CB C 13 42.426 0.050 . 1 . . . . 1081 ASP CB . 11081 1
163 . 1 1 13 13 ASP N N 15 120.628 0.104 . 1 . . . . 1081 ASP N . 11081 1
164 . 1 1 14 14 ASN H H 1 7.433 0.008 . 1 . . . . 1082 ASN H . 11081 1
165 . 1 1 14 14 ASN HA H 1 4.807 0.009 . 1 . . . . 1082 ASN HA . 11081 1
166 . 1 1 14 14 ASN HB2 H 1 2.732 0.009 . 2 . . . . 1082 ASN HB2 . 11081 1
167 . 1 1 14 14 ASN HB3 H 1 2.574 0.008 . 2 . . . . 1082 ASN HB3 . 11081 1
168 . 1 1 14 14 ASN HD21 H 1 7.705 0.003 . 2 . . . . 1082 ASN HD21 . 11081 1
169 . 1 1 14 14 ASN HD22 H 1 6.838 0.002 . 2 . . . . 1082 ASN HD22 . 11081 1
170 . 1 1 14 14 ASN C C 13 175.890 0.003 . 1 . . . . 1082 ASN CO . 11081 1
171 . 1 1 14 14 ASN CA C 13 52.199 0.043 . 1 . . . . 1082 ASN CA . 11081 1
172 . 1 1 14 14 ASN CB C 13 41.311 0.117 . 1 . . . . 1082 ASN CB . 11081 1
173 . 1 1 14 14 ASN N N 15 115.140 0.041 . 1 . . . . 1082 ASN N . 11081 1
174 . 1 1 14 14 ASN ND2 N 15 115.533 0.022 . 1 . . . . 1082 ASN ND2 . 11081 1
175 . 1 1 15 15 ASP H H 1 8.662 0.011 . 1 . . . . 1083 ASP H . 11081 1
176 . 1 1 15 15 ASP HA H 1 4.446 0.005 . 1 . . . . 1083 ASP HA . 11081 1
177 . 1 1 15 15 ASP HB2 H 1 2.753 0.005 . 2 . . . . 1083 ASP HB2 . 11081 1
178 . 1 1 15 15 ASP HB3 H 1 2.638 0.013 . 2 . . . . 1083 ASP HB3 . 11081 1
179 . 1 1 15 15 ASP C C 13 176.163 0.013 . 1 . . . . 1083 ASP CO . 11081 1
180 . 1 1 15 15 ASP CA C 13 56.541 0.086 . 1 . . . . 1083 ASP CA . 11081 1
181 . 1 1 15 15 ASP CB C 13 40.779 0.124 . 1 . . . . 1083 ASP CB . 11081 1
182 . 1 1 15 15 ASP N N 15 119.812 0.088 . 1 . . . . 1083 ASP N . 11081 1
183 . 1 1 16 16 ASP H H 1 8.427 0.009 . 1 . . . . 1084 ASP H . 11081 1
184 . 1 1 16 16 ASP HA H 1 4.660 0.006 . 1 . . . . 1084 ASP HA . 11081 1
185 . 1 1 16 16 ASP HB2 H 1 2.751 0.018 . 2 . . . . 1084 ASP HB2 . 11081 1
186 . 1 1 16 16 ASP HB3 H 1 2.635 0.004 . 2 . . . . 1084 ASP HB3 . 11081 1
187 . 1 1 16 16 ASP C C 13 176.461 0.010 . 1 . . . . 1084 ASP CO . 11081 1
188 . 1 1 16 16 ASP CA C 13 54.281 0.036 . 1 . . . . 1084 ASP CA . 11081 1
189 . 1 1 16 16 ASP CB C 13 40.333 0.090 . 1 . . . . 1084 ASP CB . 11081 1
190 . 1 1 16 16 ASP N N 15 116.762 0.074 . 1 . . . . 1084 ASP N . 11081 1
191 . 1 1 17 17 GLU H H 1 7.563 0.007 . 1 . . . . 1085 GLU H . 11081 1
192 . 1 1 17 17 GLU HA H 1 4.728 0.009 . 1 . . . . 1085 GLU HA . 11081 1
193 . 1 1 17 17 GLU HB2 H 1 2.159 0.030 . 2 . . . . 1085 GLU HB2 . 11081 1
194 . 1 1 17 17 GLU HB3 H 1 2.079 0.006 . 2 . . . . 1085 GLU HB3 . 11081 1
195 . 1 1 17 17 GLU HG2 H 1 2.164 0.009 . 2 . . . . 1085 GLU HG2 . 11081 1
196 . 1 1 17 17 GLU HG3 H 1 2.071 0.011 . 2 . . . . 1085 GLU HG3 . 11081 1
197 . 1 1 17 17 GLU C C 13 175.021 0.008 . 1 . . . . 1085 GLU CO . 11081 1
198 . 1 1 17 17 GLU CA C 13 55.045 0.083 . 1 . . . . 1085 GLU CA . 11081 1
199 . 1 1 17 17 GLU CB C 13 31.597 0.074 . 1 . . . . 1085 GLU CB . 11081 1
200 . 1 1 17 17 GLU CG C 13 36.598 0.064 . 1 . . . . 1085 GLU CG . 11081 1
201 . 1 1 17 17 GLU N N 15 120.081 0.024 . 1 . . . . 1085 GLU N . 11081 1
202 . 1 1 18 18 LEU H H 1 8.546 0.006 . 1 . . . . 1086 LEU H . 11081 1
203 . 1 1 18 18 LEU HA H 1 4.364 0.008 . 1 . . . . 1086 LEU HA . 11081 1
204 . 1 1 18 18 LEU HB2 H 1 1.848 0.005 . 2 . . . . 1086 LEU HB2 . 11081 1
205 . 1 1 18 18 LEU HB3 H 1 1.127 0.014 . 2 . . . . 1086 LEU HB3 . 11081 1
206 . 1 1 18 18 LEU HD11 H 1 0.863 0.006 . 1 . . . . 1086 LEU HD11 . 11081 1
207 . 1 1 18 18 LEU HD12 H 1 0.863 0.006 . 1 . . . . 1086 LEU HD12 . 11081 1
208 . 1 1 18 18 LEU HD13 H 1 0.863 0.006 . 1 . . . . 1086 LEU HD13 . 11081 1
209 . 1 1 18 18 LEU HD21 H 1 0.671 0.010 . 1 . . . . 1086 LEU HD21 . 11081 1
210 . 1 1 18 18 LEU HD22 H 1 0.671 0.010 . 1 . . . . 1086 LEU HD22 . 11081 1
211 . 1 1 18 18 LEU HD23 H 1 0.671 0.010 . 1 . . . . 1086 LEU HD23 . 11081 1
212 . 1 1 18 18 LEU HG H 1 1.620 0.010 . 1 . . . . 1086 LEU HG . 11081 1
213 . 1 1 18 18 LEU C C 13 175.329 0.009 . 1 . . . . 1086 LEU CO . 11081 1
214 . 1 1 18 18 LEU CA C 13 54.644 0.073 . 1 . . . . 1086 LEU CA . 11081 1
215 . 1 1 18 18 LEU CB C 13 45.006 0.063 . 1 . . . . 1086 LEU CB . 11081 1
216 . 1 1 18 18 LEU CD1 C 13 23.489 0.028 . 1 . . . . 1086 LEU CD1 . 11081 1
217 . 1 1 18 18 LEU CD2 C 13 25.615 0.054 . 1 . . . . 1086 LEU CD2 . 11081 1
218 . 1 1 18 18 LEU CG C 13 27.175 0.087 . 1 . . . . 1086 LEU CG . 11081 1
219 . 1 1 18 18 LEU N N 15 123.619 0.071 . 1 . . . . 1086 LEU N . 11081 1
220 . 1 1 19 19 THR H H 1 7.950 0.012 . 1 . . . . 1087 THR H . 11081 1
221 . 1 1 19 19 THR HA H 1 4.745 0.007 . 1 . . . . 1087 THR HA . 11081 1
222 . 1 1 19 19 THR HB H 1 4.078 0.006 . 1 . . . . 1087 THR HB . 11081 1
223 . 1 1 19 19 THR HG1 H 1 6.264 0.000 . 1 . . . . 1087 THR HG1 . 11081 1
224 . 1 1 19 19 THR HG21 H 1 1.366 0.009 . 1 . . . . 1087 THR HG21 . 11081 1
225 . 1 1 19 19 THR HG22 H 1 1.366 0.009 . 1 . . . . 1087 THR HG22 . 11081 1
226 . 1 1 19 19 THR HG23 H 1 1.366 0.009 . 1 . . . . 1087 THR HG23 . 11081 1
227 . 1 1 19 19 THR C C 13 174.644 0.002 . 1 . . . . 1087 THR CO . 11081 1
228 . 1 1 19 19 THR CA C 13 61.663 0.122 . 1 . . . . 1087 THR CA . 11081 1
229 . 1 1 19 19 THR CB C 13 70.446 0.101 . 1 . . . . 1087 THR CB . 11081 1
230 . 1 1 19 19 THR CG2 C 13 22.129 0.042 . 1 . . . . 1087 THR CG2 . 11081 1
231 . 1 1 19 19 THR N N 15 122.164 0.026 . 1 . . . . 1087 THR N . 11081 1
232 . 1 1 20 20 PHE H H 1 8.580 0.014 . 1 . . . . 1088 PHE H . 11081 1
233 . 1 1 20 20 PHE HA H 1 4.755 0.003 . 1 . . . . 1088 PHE HA . 11081 1
234 . 1 1 20 20 PHE HB2 H 1 3.476 0.008 . 2 . . . . 1088 PHE HB2 . 11081 1
235 . 1 1 20 20 PHE HB3 H 1 2.944 0.139 . 2 . . . . 1088 PHE HB3 . 11081 1
236 . 1 1 20 20 PHE HD1 H 1 6.890 0.010 . 3 . . . . 1088 PHE HD1 . 11081 1
237 . 1 1 20 20 PHE HD2 H 1 6.890 0.010 . 3 . . . . 1088 PHE HD2 . 11081 1
238 . 1 1 20 20 PHE HE1 H 1 7.575 0.004 . 3 . . . . 1088 PHE HE1 . 11081 1
239 . 1 1 20 20 PHE HE2 H 1 7.575 0.004 . 3 . . . . 1088 PHE HE2 . 11081 1
240 . 1 1 20 20 PHE HZ H 1 7.130 0.009 . 1 . . . . 1088 PHE HZ . 11081 1
241 . 1 1 20 20 PHE C C 13 174.701 0.014 . 1 . . . . 1088 PHE CO . 11081 1
242 . 1 1 20 20 PHE CA C 13 55.804 0.071 . 1 . . . . 1088 PHE CA . 11081 1
243 . 1 1 20 20 PHE CB C 13 40.299 0.083 . 1 . . . . 1088 PHE CB . 11081 1
244 . 1 1 20 20 PHE CD1 C 13 133.279 0.039 . 3 . . . . 1088 PHE CD1 . 11081 1
245 . 1 1 20 20 PHE CD2 C 13 133.279 0.039 . 3 . . . . 1088 PHE CD2 . 11081 1
246 . 1 1 20 20 PHE CE1 C 13 131.635 0.047 . 3 . . . . 1088 PHE CE1 . 11081 1
247 . 1 1 20 20 PHE CE2 C 13 131.635 0.047 . 3 . . . . 1088 PHE CE2 . 11081 1
248 . 1 1 20 20 PHE CZ C 13 128.733 0.026 . 1 . . . . 1088 PHE CZ . 11081 1
249 . 1 1 20 20 PHE N N 15 121.276 0.012 . 1 . . . . 1088 PHE N . 11081 1
250 . 1 1 21 21 ILE H H 1 9.428 0.005 . 1 . . . . 1089 ILE H . 11081 1
251 . 1 1 21 21 ILE HA H 1 5.081 0.006 . 1 . . . . 1089 ILE HA . 11081 1
252 . 1 1 21 21 ILE HB H 1 2.066 0.006 . 1 . . . . 1089 ILE HB . 11081 1
253 . 1 1 21 21 ILE HD11 H 1 0.858 0.005 . 1 . . . . 1089 ILE HD11 . 11081 1
254 . 1 1 21 21 ILE HD12 H 1 0.858 0.005 . 1 . . . . 1089 ILE HD12 . 11081 1
255 . 1 1 21 21 ILE HD13 H 1 0.858 0.005 . 1 . . . . 1089 ILE HD13 . 11081 1
256 . 1 1 21 21 ILE HG12 H 1 1.329 0.006 . 2 . . . . 1089 ILE HG12 . 11081 1
257 . 1 1 21 21 ILE HG13 H 1 1.024 0.009 . 2 . . . . 1089 ILE HG13 . 11081 1
258 . 1 1 21 21 ILE HG21 H 1 0.894 0.006 . 1 . . . . 1089 ILE HG21 . 11081 1
259 . 1 1 21 21 ILE HG22 H 1 0.894 0.006 . 1 . . . . 1089 ILE HG22 . 11081 1
260 . 1 1 21 21 ILE HG23 H 1 0.894 0.006 . 1 . . . . 1089 ILE HG23 . 11081 1
261 . 1 1 21 21 ILE C C 13 176.954 0.006 . 1 . . . . 1089 ILE CO . 11081 1
262 . 1 1 21 21 ILE CA C 13 59.504 0.077 . 1 . . . . 1089 ILE CA . 11081 1
263 . 1 1 21 21 ILE CB C 13 41.736 0.094 . 1 . . . . 1089 ILE CB . 11081 1
264 . 1 1 21 21 ILE CD1 C 13 13.904 0.158 . 1 . . . . 1089 ILE CD1 . 11081 1
265 . 1 1 21 21 ILE CG1 C 13 25.212 0.056 . 1 . . . . 1089 ILE CG1 . 11081 1
266 . 1 1 21 21 ILE CG2 C 13 17.872 0.100 . 1 . . . . 1089 ILE CG2 . 11081 1
267 . 1 1 21 21 ILE N N 15 116.576 0.012 . 1 . . . . 1089 ILE N . 11081 1
268 . 1 1 22 22 GLU H H 1 8.901 0.003 . 1 . . . . 1090 GLU H . 11081 1
269 . 1 1 22 22 GLU HA H 1 3.475 0.005 . 1 . . . . 1090 GLU HA . 11081 1
270 . 1 1 22 22 GLU HB2 H 1 1.837 0.010 . 2 . . . . 1090 GLU HB2 . 11081 1
271 . 1 1 22 22 GLU HB3 H 1 1.659 0.009 . 2 . . . . 1090 GLU HB3 . 11081 1
272 . 1 1 22 22 GLU HG2 H 1 2.023 0.006 . 2 . . . . 1090 GLU HG2 . 11081 1
273 . 1 1 22 22 GLU HG3 H 1 1.897 0.005 . 2 . . . . 1090 GLU HG3 . 11081 1
274 . 1 1 22 22 GLU C C 13 176.021 0.004 . 1 . . . . 1090 GLU CO . 11081 1
275 . 1 1 22 22 GLU CA C 13 58.110 0.073 . 1 . . . . 1090 GLU CA . 11081 1
276 . 1 1 22 22 GLU CB C 13 29.627 0.035 . 1 . . . . 1090 GLU CB . 11081 1
277 . 1 1 22 22 GLU CG C 13 35.327 0.057 . 1 . . . . 1090 GLU CG . 11081 1
278 . 1 1 22 22 GLU N N 15 123.577 0.039 . 1 . . . . 1090 GLU N . 11081 1
279 . 1 1 23 23 GLY H H 1 8.263 0.002 . 1 . . . . 1091 GLY H . 11081 1
280 . 1 1 23 23 GLY HA2 H 1 4.188 0.005 . 2 . . . . 1091 GLY HA2 . 11081 1
281 . 1 1 23 23 GLY HA3 H 1 3.464 0.005 . 2 . . . . 1091 GLY HA3 . 11081 1
282 . 1 1 23 23 GLY C C 13 174.454 0.002 . 1 . . . . 1091 GLY CO . 11081 1
283 . 1 1 23 23 GLY CA C 13 45.481 0.057 . 1 . . . . 1091 GLY CA . 11081 1
284 . 1 1 23 23 GLY N N 15 114.882 0.038 . 1 . . . . 1091 GLY N . 11081 1
285 . 1 1 24 24 GLU H H 1 7.872 0.013 . 1 . . . . 1092 GLU H . 11081 1
286 . 1 1 24 24 GLU HA H 1 4.421 0.005 . 1 . . . . 1092 GLU HA . 11081 1
287 . 1 1 24 24 GLU HB2 H 1 1.990 0.005 . 2 . . . . 1092 GLU HB2 . 11081 1
288 . 1 1 24 24 GLU HB3 H 1 1.883 0.011 . 2 . . . . 1092 GLU HB3 . 11081 1
289 . 1 1 24 24 GLU HG2 H 1 2.628 0.008 . 2 . . . . 1092 GLU HG2 . 11081 1
290 . 1 1 24 24 GLU HG3 H 1 1.869 0.013 . 2 . . . . 1092 GLU HG3 . 11081 1
291 . 1 1 24 24 GLU C C 13 173.978 0.001 . 1 . . . . 1092 GLU CO . 11081 1
292 . 1 1 24 24 GLU CA C 13 57.540 0.367 . 1 . . . . 1092 GLU CA . 11081 1
293 . 1 1 24 24 GLU CB C 13 31.532 0.362 . 1 . . . . 1092 GLU CB . 11081 1
294 . 1 1 24 24 GLU CG C 13 38.994 0.040 . 1 . . . . 1092 GLU CG . 11081 1
295 . 1 1 24 24 GLU N N 15 120.350 0.023 . 1 . . . . 1092 GLU N . 11081 1
296 . 1 1 25 25 VAL H H 1 8.450 0.023 . 1 . . . . 1093 VAL H . 11081 1
297 . 1 1 25 25 VAL HA H 1 4.848 0.008 . 1 . . . . 1093 VAL HA . 11081 1
298 . 1 1 25 25 VAL HB H 1 1.916 0.003 . 1 . . . . 1093 VAL HB . 11081 1
299 . 1 1 25 25 VAL HG11 H 1 0.787 0.004 . 1 . . . . 1093 VAL HG11 . 11081 1
300 . 1 1 25 25 VAL HG12 H 1 0.787 0.004 . 1 . . . . 1093 VAL HG12 . 11081 1
301 . 1 1 25 25 VAL HG13 H 1 0.787 0.004 . 1 . . . . 1093 VAL HG13 . 11081 1
302 . 1 1 25 25 VAL HG21 H 1 0.851 0.007 . 1 . . . . 1093 VAL HG21 . 11081 1
303 . 1 1 25 25 VAL HG22 H 1 0.851 0.007 . 1 . . . . 1093 VAL HG22 . 11081 1
304 . 1 1 25 25 VAL HG23 H 1 0.851 0.007 . 1 . . . . 1093 VAL HG23 . 11081 1
305 . 1 1 25 25 VAL C C 13 175.041 0.001 . 1 . . . . 1093 VAL CO . 11081 1
306 . 1 1 25 25 VAL CA C 13 61.192 0.122 . 1 . . . . 1093 VAL CA . 11081 1
307 . 1 1 25 25 VAL CB C 13 32.991 0.020 . 1 . . . . 1093 VAL CB . 11081 1
308 . 1 1 25 25 VAL CG1 C 13 21.614 0.010 . 1 . . . . 1093 VAL CG1 . 11081 1
309 . 1 1 25 25 VAL CG2 C 13 21.675 0.060 . 1 . . . . 1093 VAL CG2 . 11081 1
310 . 1 1 25 25 VAL N N 15 121.240 0.035 . 1 . . . . 1093 VAL N . 11081 1
311 . 1 1 26 26 ILE H H 1 8.860 0.019 . 1 . . . . 1094 ILE H . 11081 1
312 . 1 1 26 26 ILE HA H 1 4.243 0.006 . 1 . . . . 1094 ILE HA . 11081 1
313 . 1 1 26 26 ILE HB H 1 0.916 0.012 . 1 . . . . 1094 ILE HB . 11081 1
314 . 1 1 26 26 ILE HD11 H 1 -0.864 0.006 . 1 . . . . 1094 ILE HD11 . 11081 1
315 . 1 1 26 26 ILE HD12 H 1 -0.864 0.006 . 1 . . . . 1094 ILE HD12 . 11081 1
316 . 1 1 26 26 ILE HD13 H 1 -0.864 0.006 . 1 . . . . 1094 ILE HD13 . 11081 1
317 . 1 1 26 26 ILE HG12 H 1 0.844 0.008 . 2 . . . . 1094 ILE HG12 . 11081 1
318 . 1 1 26 26 ILE HG13 H 1 -0.001 0.256 . 2 . . . . 1094 ILE HG13 . 11081 1
319 . 1 1 26 26 ILE HG21 H 1 0.205 0.007 . 1 . . . . 1094 ILE HG21 . 11081 1
320 . 1 1 26 26 ILE HG22 H 1 0.205 0.007 . 1 . . . . 1094 ILE HG22 . 11081 1
321 . 1 1 26 26 ILE HG23 H 1 0.205 0.007 . 1 . . . . 1094 ILE HG23 . 11081 1
322 . 1 1 26 26 ILE C C 13 174.914 0.019 . 1 . . . . 1094 ILE CO . 11081 1
323 . 1 1 26 26 ILE CA C 13 59.104 0.125 . 1 . . . . 1094 ILE CA . 11081 1
324 . 1 1 26 26 ILE CB C 13 40.940 0.021 . 1 . . . . 1094 ILE CB . 11081 1
325 . 1 1 26 26 ILE CD1 C 13 13.186 0.050 . 1 . . . . 1094 ILE CD1 . 11081 1
326 . 1 1 26 26 ILE CG1 C 13 28.009 0.070 . 1 . . . . 1094 ILE CG1 . 11081 1
327 . 1 1 26 26 ILE CG2 C 13 17.243 0.007 . 1 . . . . 1094 ILE CG2 . 11081 1
328 . 1 1 26 26 ILE N N 15 127.693 0.058 . 1 . . . . 1094 ILE N . 11081 1
329 . 1 1 27 27 ILE H H 1 8.953 0.007 . 1 . . . . 1095 ILE H . 11081 1
330 . 1 1 27 27 ILE HA H 1 4.298 0.007 . 1 . . . . 1095 ILE HA . 11081 1
331 . 1 1 27 27 ILE HB H 1 0.937 0.013 . 1 . . . . 1095 ILE HB . 11081 1
332 . 1 1 27 27 ILE HD11 H 1 0.779 0.008 . 1 . . . . 1095 ILE HD11 . 11081 1
333 . 1 1 27 27 ILE HD12 H 1 0.779 0.008 . 1 . . . . 1095 ILE HD12 . 11081 1
334 . 1 1 27 27 ILE HD13 H 1 0.779 0.008 . 1 . . . . 1095 ILE HD13 . 11081 1
335 . 1 1 27 27 ILE HG12 H 1 1.331 0.010 . 2 . . . . 1095 ILE HG12 . 11081 1
336 . 1 1 27 27 ILE HG13 H 1 1.097 0.013 . 2 . . . . 1095 ILE HG13 . 11081 1
337 . 1 1 27 27 ILE HG21 H 1 0.682 0.018 . 1 . . . . 1095 ILE HG21 . 11081 1
338 . 1 1 27 27 ILE HG22 H 1 0.682 0.018 . 1 . . . . 1095 ILE HG22 . 11081 1
339 . 1 1 27 27 ILE HG23 H 1 0.682 0.018 . 1 . . . . 1095 ILE HG23 . 11081 1
340 . 1 1 27 27 ILE C C 13 175.185 0.002 . 1 . . . . 1095 ILE CO . 11081 1
341 . 1 1 27 27 ILE CA C 13 58.280 0.115 . 1 . . . . 1095 ILE CA . 11081 1
342 . 1 1 27 27 ILE CB C 13 35.998 0.129 . 1 . . . . 1095 ILE CB . 11081 1
343 . 1 1 27 27 ILE CD1 C 13 11.280 0.059 . 1 . . . . 1095 ILE CD1 . 11081 1
344 . 1 1 27 27 ILE CG1 C 13 26.911 0.041 . 1 . . . . 1095 ILE CG1 . 11081 1
345 . 1 1 27 27 ILE CG2 C 13 16.927 0.042 . 1 . . . . 1095 ILE CG2 . 11081 1
346 . 1 1 27 27 ILE N N 15 126.496 0.040 . 1 . . . . 1095 ILE N . 11081 1
347 . 1 1 28 28 VAL H H 1 8.541 0.025 . 1 . . . . 1096 VAL H . 11081 1
348 . 1 1 28 28 VAL HA H 1 4.319 0.008 . 1 . . . . 1096 VAL HA . 11081 1
349 . 1 1 28 28 VAL HB H 1 1.977 0.013 . 1 . . . . 1096 VAL HB . 11081 1
350 . 1 1 28 28 VAL HG11 H 1 0.966 0.010 . 1 . . . . 1096 VAL HG11 . 11081 1
351 . 1 1 28 28 VAL HG12 H 1 0.966 0.010 . 1 . . . . 1096 VAL HG12 . 11081 1
352 . 1 1 28 28 VAL HG13 H 1 0.966 0.010 . 1 . . . . 1096 VAL HG13 . 11081 1
353 . 1 1 28 28 VAL HG21 H 1 1.217 0.008 . 1 . . . . 1096 VAL HG21 . 11081 1
354 . 1 1 28 28 VAL HG22 H 1 1.217 0.008 . 1 . . . . 1096 VAL HG22 . 11081 1
355 . 1 1 28 28 VAL HG23 H 1 1.217 0.008 . 1 . . . . 1096 VAL HG23 . 11081 1
356 . 1 1 28 28 VAL C C 13 177.101 0.003 . 1 . . . . 1096 VAL CO . 11081 1
357 . 1 1 28 28 VAL CA C 13 63.592 0.075 . 1 . . . . 1096 VAL CA . 11081 1
358 . 1 1 28 28 VAL CB C 13 32.214 0.078 . 1 . . . . 1096 VAL CB . 11081 1
359 . 1 1 28 28 VAL CG1 C 13 21.935 0.026 . 1 . . . . 1096 VAL CG1 . 11081 1
360 . 1 1 28 28 VAL CG2 C 13 24.011 0.091 . 1 . . . . 1096 VAL CG2 . 11081 1
361 . 1 1 28 28 VAL N N 15 127.590 0.141 . 1 . . . . 1096 VAL N . 11081 1
362 . 1 1 29 29 THR H H 1 9.627 0.003 . 1 . . . . 1097 THR H . 11081 1
363 . 1 1 29 29 THR HA H 1 4.585 0.007 . 1 . . . . 1097 THR HA . 11081 1
364 . 1 1 29 29 THR HB H 1 4.458 0.011 . 1 . . . . 1097 THR HB . 11081 1
365 . 1 1 29 29 THR HG21 H 1 1.298 0.010 . 1 . . . . 1097 THR HG21 . 11081 1
366 . 1 1 29 29 THR HG22 H 1 1.298 0.010 . 1 . . . . 1097 THR HG22 . 11081 1
367 . 1 1 29 29 THR HG23 H 1 1.298 0.010 . 1 . . . . 1097 THR HG23 . 11081 1
368 . 1 1 29 29 THR C C 13 174.901 0.005 . 1 . . . . 1097 THR CO . 11081 1
369 . 1 1 29 29 THR CA C 13 61.480 0.064 . 1 . . . . 1097 THR CA . 11081 1
370 . 1 1 29 29 THR CB C 13 69.335 0.055 . 1 . . . . 1097 THR CB . 11081 1
371 . 1 1 29 29 THR CG2 C 13 21.459 0.033 . 1 . . . . 1097 THR CG2 . 11081 1
372 . 1 1 29 29 THR N N 15 119.737 0.144 . 1 . . . . 1097 THR N . 11081 1
373 . 1 1 30 30 GLY H H 1 7.991 0.007 . 1 . . . . 1098 GLY H . 11081 1
374 . 1 1 30 30 GLY HA2 H 1 4.101 0.010 . 2 . . . . 1098 GLY HA2 . 11081 1
375 . 1 1 30 30 GLY HA3 H 1 3.883 0.007 . 2 . . . . 1098 GLY HA3 . 11081 1
376 . 1 1 30 30 GLY C C 13 170.470 0.001 . 1 . . . . 1098 GLY CO . 11081 1
377 . 1 1 30 30 GLY CA C 13 45.629 0.071 . 1 . . . . 1098 GLY CA . 11081 1
378 . 1 1 30 30 GLY N N 15 110.841 0.067 . 1 . . . . 1098 GLY N . 11081 1
379 . 1 1 31 31 GLU H H 1 8.377 0.010 . 1 . . . . 1099 GLU H . 11081 1
380 . 1 1 31 31 GLU HA H 1 4.597 0.009 . 1 . . . . 1099 GLU HA . 11081 1
381 . 1 1 31 31 GLU HB2 H 1 1.759 0.013 . 2 . . . . 1099 GLU HB2 . 11081 1
382 . 1 1 31 31 GLU HB3 H 1 1.619 0.016 . 2 . . . . 1099 GLU HB3 . 11081 1
383 . 1 1 31 31 GLU HG2 H 1 1.559 0.013 . 2 . . . . 1099 GLU HG2 . 11081 1
384 . 1 1 31 31 GLU HG3 H 1 1.013 0.019 . 2 . . . . 1099 GLU HG3 . 11081 1
385 . 1 1 31 31 GLU C C 13 175.431 0.004 . 1 . . . . 1099 GLU CO . 11081 1
386 . 1 1 31 31 GLU CA C 13 55.206 0.101 . 1 . . . . 1099 GLU CA . 11081 1
387 . 1 1 31 31 GLU CB C 13 31.868 0.075 . 1 . . . . 1099 GLU CB . 11081 1
388 . 1 1 31 31 GLU CG C 13 34.454 0.037 . 1 . . . . 1099 GLU CG . 11081 1
389 . 1 1 31 31 GLU N N 15 117.910 0.137 . 1 . . . . 1099 GLU N . 11081 1
390 . 1 1 32 32 GLU H H 1 8.685 0.030 . 1 . . . . 1100 GLU H . 11081 1
391 . 1 1 32 32 GLU HA H 1 4.394 0.007 . 1 . . . . 1100 GLU HA . 11081 1
392 . 1 1 32 32 GLU HB2 H 1 2.068 0.028 . 2 . . . . 1100 GLU HB2 . 11081 1
393 . 1 1 32 32 GLU HB3 H 1 1.967 0.009 . 2 . . . . 1100 GLU HB3 . 11081 1
394 . 1 1 32 32 GLU HG2 H 1 2.142 0.021 . 2 . . . . 1100 GLU HG2 . 11081 1
395 . 1 1 32 32 GLU HG3 H 1 2.066 0.003 . 2 . . . . 1100 GLU HG3 . 11081 1
396 . 1 1 32 32 GLU C C 13 176.330 0.010 . 1 . . . . 1100 GLU CO . 11081 1
397 . 1 1 32 32 GLU CA C 13 58.387 0.122 . 1 . . . . 1100 GLU CA . 11081 1
398 . 1 1 32 32 GLU CB C 13 30.343 0.072 . 1 . . . . 1100 GLU CB . 11081 1
399 . 1 1 32 32 GLU CG C 13 36.141 0.030 . 1 . . . . 1100 GLU CG . 11081 1
400 . 1 1 32 32 GLU N N 15 124.534 0.023 . 1 . . . . 1100 GLU N . 11081 1
401 . 1 1 33 33 ASP H H 1 8.722 0.025 . 1 . . . . 1101 ASP H . 11081 1
402 . 1 1 33 33 ASP HA H 1 4.566 0.005 . 1 . . . . 1101 ASP HA . 11081 1
403 . 1 1 33 33 ASP HB2 H 1 3.170 0.016 . 2 . . . . 1101 ASP HB2 . 11081 1
404 . 1 1 33 33 ASP HB3 H 1 3.116 0.002 . 2 . . . . 1101 ASP HB3 . 11081 1
405 . 1 1 33 33 ASP C C 13 175.159 0.002 . 1 . . . . 1101 ASP CO . 11081 1
406 . 1 1 33 33 ASP CA C 13 53.782 0.043 . 1 . . . . 1101 ASP CA . 11081 1
407 . 1 1 33 33 ASP CB C 13 40.855 0.035 . 1 . . . . 1101 ASP CB . 11081 1
408 . 1 1 33 33 ASP N N 15 118.603 0.026 . 1 . . . . 1101 ASP N . 11081 1
409 . 1 1 34 34 GLN H H 1 8.226 0.010 . 1 . . . . 1102 GLN H . 11081 1
410 . 1 1 34 34 GLN HA H 1 4.393 0.007 . 1 . . . . 1102 GLN HA . 11081 1
411 . 1 1 34 34 GLN HB2 H 1 2.190 0.004 . 2 . . . . 1102 GLN HB2 . 11081 1
412 . 1 1 34 34 GLN HB3 H 1 2.124 0.005 . 2 . . . . 1102 GLN HB3 . 11081 1
413 . 1 1 34 34 GLN HG2 H 1 2.479 0.007 . 2 . . . . 1102 GLN HG2 . 11081 1
414 . 1 1 34 34 GLN C C 13 176.466 0.010 . 1 . . . . 1102 GLN CO . 11081 1
415 . 1 1 34 34 GLN CA C 13 58.036 0.090 . 1 . . . . 1102 GLN CA . 11081 1
416 . 1 1 34 34 GLN CB C 13 28.998 0.039 . 1 . . . . 1102 GLN CB . 11081 1
417 . 1 1 34 34 GLN CG C 13 34.291 0.019 . 1 . . . . 1102 GLN CG . 11081 1
418 . 1 1 34 34 GLN N N 15 113.020 0.092 . 1 . . . . 1102 GLN N . 11081 1
419 . 1 1 35 35 GLU H H 1 8.754 0.004 . 1 . . . . 1103 GLU H . 11081 1
420 . 1 1 35 35 GLU HA H 1 4.151 0.008 . 1 . . . . 1103 GLU HA . 11081 1
421 . 1 1 35 35 GLU HB2 H 1 2.033 0.007 . 2 . . . . 1103 GLU HB2 . 11081 1
422 . 1 1 35 35 GLU HB3 H 1 1.795 0.013 . 2 . . . . 1103 GLU HB3 . 11081 1
423 . 1 1 35 35 GLU HG2 H 1 2.072 0.002 . 2 . . . . 1103 GLU HG2 . 11081 1
424 . 1 1 35 35 GLU HG3 H 1 2.007 0.008 . 2 . . . . 1103 GLU HG3 . 11081 1
425 . 1 1 35 35 GLU C C 13 176.104 0.000 . 1 . . . . 1103 GLU CO . 11081 1
426 . 1 1 35 35 GLU CA C 13 56.638 0.032 . 1 . . . . 1103 GLU CA . 11081 1
427 . 1 1 35 35 GLU CB C 13 32.157 0.053 . 1 . . . . 1103 GLU CB . 11081 1
428 . 1 1 35 35 GLU CG C 13 36.942 0.036 . 1 . . . . 1103 GLU CG . 11081 1
429 . 1 1 35 35 GLU N N 15 116.952 0.056 . 1 . . . . 1103 GLU N . 11081 1
430 . 1 1 36 36 TRP H H 1 8.199 0.008 . 1 . . . . 1104 TRP H . 11081 1
431 . 1 1 36 36 TRP HA H 1 4.946 0.008 . 1 . . . . 1104 TRP HA . 11081 1
432 . 1 1 36 36 TRP HB2 H 1 2.939 0.010 . 2 . . . . 1104 TRP HB2 . 11081 1
433 . 1 1 36 36 TRP HB3 H 1 2.780 0.007 . 2 . . . . 1104 TRP HB3 . 11081 1
434 . 1 1 36 36 TRP HD1 H 1 7.636 0.011 . 1 . . . . 1104 TRP HD1 . 11081 1
435 . 1 1 36 36 TRP HE1 H 1 9.967 0.001 . 1 . . . . 1104 TRP HE1 . 11081 1
436 . 1 1 36 36 TRP HE3 H 1 7.119 0.010 . 1 . . . . 1104 TRP HE3 . 11081 1
437 . 1 1 36 36 TRP HH2 H 1 7.073 0.005 . 1 . . . . 1104 TRP HH2 . 11081 1
438 . 1 1 36 36 TRP HZ2 H 1 7.330 0.002 . 1 . . . . 1104 TRP HZ2 . 11081 1
439 . 1 1 36 36 TRP HZ3 H 1 6.816 0.008 . 1 . . . . 1104 TRP HZ3 . 11081 1
440 . 1 1 36 36 TRP C C 13 174.654 0.002 . 1 . . . . 1104 TRP CO . 11081 1
441 . 1 1 36 36 TRP CA C 13 56.258 0.056 . 1 . . . . 1104 TRP CA . 11081 1
442 . 1 1 36 36 TRP CB C 13 30.682 0.046 . 1 . . . . 1104 TRP CB . 11081 1
443 . 1 1 36 36 TRP CD1 C 13 128.808 0.023 . 1 . . . . 1104 TRP CD1 . 11081 1
444 . 1 1 36 36 TRP CE3 C 13 119.796 0.033 . 1 . . . . 1104 TRP CE3 . 11081 1
445 . 1 1 36 36 TRP CH2 C 13 124.378 0.000 . 1 . . . . 1104 TRP CH2 . 11081 1
446 . 1 1 36 36 TRP CZ2 C 13 114.500 0.033 . 1 . . . . 1104 TRP CZ2 . 11081 1
447 . 1 1 36 36 TRP CZ3 C 13 120.572 0.101 . 1 . . . . 1104 TRP CZ3 . 11081 1
448 . 1 1 36 36 TRP N N 15 122.763 0.028 . 1 . . . . 1104 TRP N . 11081 1
449 . 1 1 36 36 TRP NE1 N 15 128.801 0.017 . 1 . . . . 1104 TRP NE1 . 11081 1
450 . 1 1 37 37 TRP H H 1 8.332 0.016 . 1 . . . . 1105 TRP H . 11081 1
451 . 1 1 37 37 TRP HA H 1 5.251 0.009 . 1 . . . . 1105 TRP HA . 11081 1
452 . 1 1 37 37 TRP HB2 H 1 3.192 0.010 . 2 . . . . 1105 TRP HB2 . 11081 1
453 . 1 1 37 37 TRP HB3 H 1 2.213 0.013 . 2 . . . . 1105 TRP HB3 . 11081 1
454 . 1 1 37 37 TRP HD1 H 1 7.373 0.017 . 1 . . . . 1105 TRP HD1 . 11081 1
455 . 1 1 37 37 TRP HE1 H 1 9.536 0.004 . 1 . . . . 1105 TRP HE1 . 11081 1
456 . 1 1 37 37 TRP HE3 H 1 7.419 0.010 . 1 . . . . 1105 TRP HE3 . 11081 1
457 . 1 1 37 37 TRP HH2 H 1 7.087 0.005 . 1 . . . . 1105 TRP HH2 . 11081 1
458 . 1 1 37 37 TRP HZ2 H 1 7.421 0.003 . 1 . . . . 1105 TRP HZ2 . 11081 1
459 . 1 1 37 37 TRP HZ3 H 1 6.819 0.005 . 1 . . . . 1105 TRP HZ3 . 11081 1
460 . 1 1 37 37 TRP C C 13 172.192 0.001 . 1 . . . . 1105 TRP CO . 11081 1
461 . 1 1 37 37 TRP CA C 13 52.733 0.065 . 1 . . . . 1105 TRP CA . 11081 1
462 . 1 1 37 37 TRP CB C 13 33.899 0.034 . 1 . . . . 1105 TRP CB . 11081 1
463 . 1 1 37 37 TRP CD1 C 13 123.863 0.023 . 1 . . . . 1105 TRP CD1 . 11081 1
464 . 1 1 37 37 TRP CE3 C 13 120.334 0.043 . 1 . . . . 1105 TRP CE3 . 11081 1
465 . 1 1 37 37 TRP CH2 C 13 124.077 0.036 . 1 . . . . 1105 TRP CH2 . 11081 1
466 . 1 1 37 37 TRP CZ2 C 13 115.055 0.047 . 1 . . . . 1105 TRP CZ2 . 11081 1
467 . 1 1 37 37 TRP CZ3 C 13 119.814 0.066 . 1 . . . . 1105 TRP CZ3 . 11081 1
468 . 1 1 37 37 TRP N N 15 125.709 0.058 . 1 . . . . 1105 TRP N . 11081 1
469 . 1 1 37 37 TRP NE1 N 15 127.940 0.025 . 1 . . . . 1105 TRP NE1 . 11081 1
470 . 1 1 38 38 ILE H H 1 8.343 0.004 . 1 . . . . 1106 ILE H . 11081 1
471 . 1 1 38 38 ILE HA H 1 4.873 0.007 . 1 . . . . 1106 ILE HA . 11081 1
472 . 1 1 38 38 ILE HB H 1 1.269 0.010 . 1 . . . . 1106 ILE HB . 11081 1
473 . 1 1 38 38 ILE HD11 H 1 0.762 0.009 . 1 . . . . 1106 ILE HD11 . 11081 1
474 . 1 1 38 38 ILE HD12 H 1 0.762 0.009 . 1 . . . . 1106 ILE HD12 . 11081 1
475 . 1 1 38 38 ILE HD13 H 1 0.762 0.009 . 1 . . . . 1106 ILE HD13 . 11081 1
476 . 1 1 38 38 ILE HG12 H 1 1.344 0.008 . 2 . . . . 1106 ILE HG12 . 11081 1
477 . 1 1 38 38 ILE HG13 H 1 0.976 0.010 . 2 . . . . 1106 ILE HG13 . 11081 1
478 . 1 1 38 38 ILE HG21 H 1 0.851 0.007 . 1 . . . . 1106 ILE HG21 . 11081 1
479 . 1 1 38 38 ILE HG22 H 1 0.851 0.007 . 1 . . . . 1106 ILE HG22 . 11081 1
480 . 1 1 38 38 ILE HG23 H 1 0.851 0.007 . 1 . . . . 1106 ILE HG23 . 11081 1
481 . 1 1 38 38 ILE C C 13 176.059 0.006 . 1 . . . . 1106 ILE CO . 11081 1
482 . 1 1 38 38 ILE CA C 13 60.270 0.083 . 1 . . . . 1106 ILE CA . 11081 1
483 . 1 1 38 38 ILE CB C 13 41.635 0.038 . 1 . . . . 1106 ILE CB . 11081 1
484 . 1 1 38 38 ILE CD1 C 13 14.285 0.033 . 1 . . . . 1106 ILE CD1 . 11081 1
485 . 1 1 38 38 ILE CG1 C 13 28.190 0.050 . 1 . . . . 1106 ILE CG1 . 11081 1
486 . 1 1 38 38 ILE CG2 C 13 17.553 0.031 . 1 . . . . 1106 ILE CG2 . 11081 1
487 . 1 1 38 38 ILE N N 15 117.802 0.034 . 1 . . . . 1106 ILE N . 11081 1
488 . 1 1 39 39 GLY H H 1 8.766 0.018 . 1 . . . . 1107 GLY H . 11081 1
489 . 1 1 39 39 GLY HA2 H 1 4.841 0.010 . 2 . . . . 1107 GLY HA2 . 11081 1
490 . 1 1 39 39 GLY HA3 H 1 4.583 0.006 . 2 . . . . 1107 GLY HA3 . 11081 1
491 . 1 1 39 39 GLY C C 13 170.822 0.007 . 1 . . . . 1107 GLY CO . 11081 1
492 . 1 1 39 39 GLY CA C 13 47.118 0.092 . 1 . . . . 1107 GLY CA . 11081 1
493 . 1 1 39 39 GLY N N 15 112.548 0.040 . 1 . . . . 1107 GLY N . 11081 1
494 . 1 1 40 40 HIS H H 1 8.357 0.004 . 1 . . . . 1108 HIS H . 11081 1
495 . 1 1 40 40 HIS HA H 1 5.928 0.009 . 1 . . . . 1108 HIS HA . 11081 1
496 . 1 1 40 40 HIS HB2 H 1 3.351 0.010 . 2 . . . . 1108 HIS HB2 . 11081 1
497 . 1 1 40 40 HIS HB3 H 1 3.002 0.009 . 2 . . . . 1108 HIS HB3 . 11081 1
498 . 1 1 40 40 HIS HD2 H 1 6.825 0.006 . 1 . . . . 1108 HIS HD2 . 11081 1
499 . 1 1 40 40 HIS HE1 H 1 7.863 0.003 . 1 . . . . 1108 HIS HE1 . 11081 1
500 . 1 1 40 40 HIS C C 13 173.250 0.005 . 1 . . . . 1108 HIS CO . 11081 1
501 . 1 1 40 40 HIS CA C 13 53.260 0.026 . 1 . . . . 1108 HIS CA . 11081 1
502 . 1 1 40 40 HIS CB C 13 33.795 0.093 . 1 . . . . 1108 HIS CB . 11081 1
503 . 1 1 40 40 HIS CD2 C 13 125.050 0.063 . 1 . . . . 1108 HIS CD2 . 11081 1
504 . 1 1 40 40 HIS CE1 C 13 137.684 0.018 . 1 . . . . 1108 HIS CE1 . 11081 1
505 . 1 1 40 40 HIS N N 15 113.260 0.285 . 1 . . . . 1108 HIS N . 11081 1
506 . 1 1 41 41 ILE H H 1 8.350 0.024 . 1 . . . . 1109 ILE H . 11081 1
507 . 1 1 41 41 ILE HA H 1 4.253 0.004 . 1 . . . . 1109 ILE HA . 11081 1
508 . 1 1 41 41 ILE HB H 1 2.396 0.009 . 1 . . . . 1109 ILE HB . 11081 1
509 . 1 1 41 41 ILE HD11 H 1 0.602 0.005 . 1 . . . . 1109 ILE HD11 . 11081 1
510 . 1 1 41 41 ILE HD12 H 1 0.602 0.005 . 1 . . . . 1109 ILE HD12 . 11081 1
511 . 1 1 41 41 ILE HD13 H 1 0.602 0.005 . 1 . . . . 1109 ILE HD13 . 11081 1
512 . 1 1 41 41 ILE HG12 H 1 1.705 0.007 . 2 . . . . 1109 ILE HG12 . 11081 1
513 . 1 1 41 41 ILE HG13 H 1 1.293 0.008 . 2 . . . . 1109 ILE HG13 . 11081 1
514 . 1 1 41 41 ILE HG21 H 1 1.036 0.007 . 1 . . . . 1109 ILE HG21 . 11081 1
515 . 1 1 41 41 ILE HG22 H 1 1.036 0.007 . 1 . . . . 1109 ILE HG22 . 11081 1
516 . 1 1 41 41 ILE HG23 H 1 1.036 0.007 . 1 . . . . 1109 ILE HG23 . 11081 1
517 . 1 1 41 41 ILE C C 13 178.146 0.002 . 1 . . . . 1109 ILE CO . 11081 1
518 . 1 1 41 41 ILE CA C 13 58.667 0.102 . 1 . . . . 1109 ILE CA . 11081 1
519 . 1 1 41 41 ILE CB C 13 35.363 0.062 . 1 . . . . 1109 ILE CB . 11081 1
520 . 1 1 41 41 ILE CD1 C 13 8.892 0.028 . 1 . . . . 1109 ILE CD1 . 11081 1
521 . 1 1 41 41 ILE CG1 C 13 26.177 0.056 . 1 . . . . 1109 ILE CG1 . 11081 1
522 . 1 1 41 41 ILE CG2 C 13 16.293 0.052 . 1 . . . . 1109 ILE CG2 . 11081 1
523 . 1 1 41 41 ILE N N 15 122.782 0.176 . 1 . . . . 1109 ILE N . 11081 1
524 . 1 1 42 42 GLU H H 1 9.170 0.006 . 1 . . . . 1110 GLU H . 11081 1
525 . 1 1 42 42 GLU HA H 1 3.930 0.006 . 1 . . . . 1110 GLU HA . 11081 1
526 . 1 1 42 42 GLU HB2 H 1 2.090 0.012 . 2 . . . . 1110 GLU HB2 . 11081 1
527 . 1 1 42 42 GLU HB3 H 1 1.660 0.010 . 2 . . . . 1110 GLU HB3 . 11081 1
528 . 1 1 42 42 GLU HG2 H 1 2.080 0.008 . 2 . . . . 1110 GLU HG2 . 11081 1
529 . 1 1 42 42 GLU HG3 H 1 2.143 0.029 . 2 . . . . 1110 GLU HG3 . 11081 1
530 . 1 1 42 42 GLU C C 13 176.775 0.000 . 1 . . . . 1110 GLU CO . 11081 1
531 . 1 1 42 42 GLU CA C 13 59.035 0.034 . 1 . . . . 1110 GLU CA . 11081 1
532 . 1 1 42 42 GLU CB C 13 29.657 0.069 . 1 . . . . 1110 GLU CB . 11081 1
533 . 1 1 42 42 GLU CG C 13 36.712 0.017 . 1 . . . . 1110 GLU CG . 11081 1
534 . 1 1 42 42 GLU N N 15 132.349 0.033 . 1 . . . . 1110 GLU N . 11081 1
535 . 1 1 43 43 GLY HA2 H 1 3.802 0.008 . 2 . . . . 1111 GLY HA2 . 11081 1
536 . 1 1 43 43 GLY HA3 H 1 4.385 0.000 . 2 . . . . 1111 GLY HA3 . 11081 1
537 . 1 1 43 43 GLY CA C 13 44.971 0.000 . 1 . . . . 1111 GLY CA . 11081 1
538 . 1 1 44 44 GLN HA H 1 4.902 0.006 . 1 . . . . 1112 GLN HA . 11081 1
539 . 1 1 44 44 GLN HB2 H 1 2.085 0.008 . 2 . . . . 1112 GLN HB2 . 11081 1
540 . 1 1 44 44 GLN HB3 H 1 1.791 0.007 . 2 . . . . 1112 GLN HB3 . 11081 1
541 . 1 1 44 44 GLN HG2 H 1 2.376 0.023 . 2 . . . . 1112 GLN HG2 . 11081 1
542 . 1 1 44 44 GLN HG3 H 1 2.261 0.006 . 2 . . . . 1112 GLN HG3 . 11081 1
543 . 1 1 44 44 GLN CA C 13 53.669 0.036 . 1 . . . . 1112 GLN CA . 11081 1
544 . 1 1 44 44 GLN CB C 13 30.491 0.079 . 1 . . . . 1112 GLN CB . 11081 1
545 . 1 1 44 44 GLN CG C 13 34.007 0.070 . 1 . . . . 1112 GLN CG . 11081 1
546 . 1 1 45 45 PRO HA H 1 3.886 0.011 . 1 . . . . 1113 PRO HA . 11081 1
547 . 1 1 45 45 PRO HB2 H 1 1.654 0.009 . 2 . . . . 1113 PRO HB2 . 11081 1
548 . 1 1 45 45 PRO HD2 H 1 3.666 0.007 . 2 . . . . 1113 PRO HD2 . 11081 1
549 . 1 1 45 45 PRO HD3 H 1 3.345 0.008 . 2 . . . . 1113 PRO HD3 . 11081 1
550 . 1 1 45 45 PRO HG2 H 1 1.870 0.009 . 2 . . . . 1113 PRO HG2 . 11081 1
551 . 1 1 45 45 PRO HG3 H 1 1.799 0.003 . 2 . . . . 1113 PRO HG3 . 11081 1
552 . 1 1 45 45 PRO C C 13 176.444 0.002 . 1 . . . . 1113 PRO CO . 11081 1
553 . 1 1 45 45 PRO CA C 13 64.401 0.041 . 1 . . . . 1113 PRO CA . 11081 1
554 . 1 1 45 45 PRO CB C 13 31.497 0.051 . 1 . . . . 1113 PRO CB . 11081 1
555 . 1 1 45 45 PRO CD C 13 49.989 0.058 . 1 . . . . 1113 PRO CD . 11081 1
556 . 1 1 45 45 PRO CG C 13 27.228 0.024 . 1 . . . . 1113 PRO CG . 11081 1
557 . 1 1 46 46 GLU H H 1 9.179 0.019 . 1 . . . . 1114 GLU H . 11081 1
558 . 1 1 46 46 GLU HA H 1 4.221 0.007 . 1 . . . . 1114 GLU HA . 11081 1
559 . 1 1 46 46 GLU HB2 H 1 2.095 0.010 . 2 . . . . 1114 GLU HB2 . 11081 1
560 . 1 1 46 46 GLU HB3 H 1 1.978 0.008 . 2 . . . . 1114 GLU HB3 . 11081 1
561 . 1 1 46 46 GLU HG2 H 1 2.365 0.004 . 2 . . . . 1114 GLU HG2 . 11081 1
562 . 1 1 46 46 GLU HG3 H 1 2.198 0.006 . 2 . . . . 1114 GLU HG3 . 11081 1
563 . 1 1 46 46 GLU C C 13 177.660 0.002 . 1 . . . . 1114 GLU CO . 11081 1
564 . 1 1 46 46 GLU CA C 13 57.548 0.073 . 1 . . . . 1114 GLU CA . 11081 1
565 . 1 1 46 46 GLU CB C 13 28.124 0.060 . 1 . . . . 1114 GLU CB . 11081 1
566 . 1 1 46 46 GLU CG C 13 36.133 0.063 . 1 . . . . 1114 GLU CG . 11081 1
567 . 1 1 46 46 GLU N N 15 116.865 0.023 . 1 . . . . 1114 GLU N . 11081 1
568 . 1 1 47 47 ARG H H 1 8.347 0.004 . 1 . . . . 1115 ARG H . 11081 1
569 . 1 1 47 47 ARG HA H 1 4.537 0.009 . 1 . . . . 1115 ARG HA . 11081 1
570 . 1 1 47 47 ARG HB2 H 1 1.996 0.006 . 2 . . . . 1115 ARG HB2 . 11081 1
571 . 1 1 47 47 ARG HB3 H 1 1.984 0.005 . 2 . . . . 1115 ARG HB3 . 11081 1
572 . 1 1 47 47 ARG HD2 H 1 3.464 0.005 . 2 . . . . 1115 ARG HD2 . 11081 1
573 . 1 1 47 47 ARG HD3 H 1 3.060 0.011 . 2 . . . . 1115 ARG HD3 . 11081 1
574 . 1 1 47 47 ARG HG2 H 1 1.708 0.015 . 2 . . . . 1115 ARG HG2 . 11081 1
575 . 1 1 47 47 ARG C C 13 172.465 0.007 . 1 . . . . 1115 ARG CO . 11081 1
576 . 1 1 47 47 ARG CA C 13 55.719 0.102 . 1 . . . . 1115 ARG CA . 11081 1
577 . 1 1 47 47 ARG CB C 13 29.819 0.062 . 1 . . . . 1115 ARG CB . 11081 1
578 . 1 1 47 47 ARG CD C 13 44.477 0.033 . 1 . . . . 1115 ARG CD . 11081 1
579 . 1 1 47 47 ARG CG C 13 26.405 0.016 . 1 . . . . 1115 ARG CG . 11081 1
580 . 1 1 47 47 ARG N N 15 124.206 0.054 . 1 . . . . 1115 ARG N . 11081 1
581 . 1 1 48 48 LYS H H 1 7.787 0.017 . 1 . . . . 1116 LYS H . 11081 1
582 . 1 1 48 48 LYS HA H 1 5.615 0.006 . 1 . . . . 1116 LYS HA . 11081 1
583 . 1 1 48 48 LYS HB2 H 1 1.987 0.008 . 2 . . . . 1116 LYS HB2 . 11081 1
584 . 1 1 48 48 LYS HB3 H 1 1.824 0.009 . 2 . . . . 1116 LYS HB3 . 11081 1
585 . 1 1 48 48 LYS HD2 H 1 1.670 0.010 . 2 . . . . 1116 LYS HD2 . 11081 1
586 . 1 1 48 48 LYS HE2 H 1 2.979 0.006 . 2 . . . . 1116 LYS HE2 . 11081 1
587 . 1 1 48 48 LYS HG2 H 1 1.375 0.006 . 2 . . . . 1116 LYS HG2 . 11081 1
588 . 1 1 48 48 LYS C C 13 175.124 0.010 . 1 . . . . 1116 LYS CO . 11081 1
589 . 1 1 48 48 LYS CA C 13 53.913 0.036 . 1 . . . . 1116 LYS CA . 11081 1
590 . 1 1 48 48 LYS CB C 13 36.395 0.052 . 1 . . . . 1116 LYS CB . 11081 1
591 . 1 1 48 48 LYS CD C 13 29.520 0.034 . 1 . . . . 1116 LYS CD . 11081 1
592 . 1 1 48 48 LYS CE C 13 42.093 0.038 . 1 . . . . 1116 LYS CE . 11081 1
593 . 1 1 48 48 LYS CG C 13 23.415 0.036 . 1 . . . . 1116 LYS CG . 11081 1
594 . 1 1 48 48 LYS N N 15 120.625 0.089 . 1 . . . . 1116 LYS N . 11081 1
595 . 1 1 49 49 GLY H H 1 9.015 0.004 . 1 . . . . 1117 GLY H . 11081 1
596 . 1 1 49 49 GLY HA2 H 1 4.372 0.009 . 2 . . . . 1117 GLY HA2 . 11081 1
597 . 1 1 49 49 GLY HA3 H 1 4.131 0.009 . 2 . . . . 1117 GLY HA3 . 11081 1
598 . 1 1 49 49 GLY C C 13 171.487 0.006 . 1 . . . . 1117 GLY CO . 11081 1
599 . 1 1 49 49 GLY CA C 13 45.138 0.055 . 1 . . . . 1117 GLY CA . 11081 1
600 . 1 1 49 49 GLY N N 15 108.596 0.091 . 1 . . . . 1117 GLY N . 11081 1
601 . 1 1 50 50 VAL H H 1 8.522 0.030 . 1 . . . . 1118 VAL H . 11081 1
602 . 1 1 50 50 VAL HA H 1 5.585 0.008 . 1 . . . . 1118 VAL HA . 11081 1
603 . 1 1 50 50 VAL HB H 1 2.102 0.008 . 1 . . . . 1118 VAL HB . 11081 1
604 . 1 1 50 50 VAL HG11 H 1 0.996 0.011 . 1 . . . . 1118 VAL HG11 . 11081 1
605 . 1 1 50 50 VAL HG12 H 1 0.996 0.011 . 1 . . . . 1118 VAL HG12 . 11081 1
606 . 1 1 50 50 VAL HG13 H 1 0.996 0.011 . 1 . . . . 1118 VAL HG13 . 11081 1
607 . 1 1 50 50 VAL HG21 H 1 0.906 0.008 . 1 . . . . 1118 VAL HG21 . 11081 1
608 . 1 1 50 50 VAL HG22 H 1 0.906 0.008 . 1 . . . . 1118 VAL HG22 . 11081 1
609 . 1 1 50 50 VAL HG23 H 1 0.906 0.008 . 1 . . . . 1118 VAL HG23 . 11081 1
610 . 1 1 50 50 VAL C C 13 177.484 0.009 . 1 . . . . 1118 VAL CO . 11081 1
611 . 1 1 50 50 VAL CA C 13 60.482 0.054 . 1 . . . . 1118 VAL CA . 11081 1
612 . 1 1 50 50 VAL CB C 13 33.786 0.069 . 1 . . . . 1118 VAL CB . 11081 1
613 . 1 1 50 50 VAL CG1 C 13 22.233 0.077 . 1 . . . . 1118 VAL CG1 . 11081 1
614 . 1 1 50 50 VAL CG2 C 13 21.307 0.040 . 1 . . . . 1118 VAL CG2 . 11081 1
615 . 1 1 50 50 VAL N N 15 116.167 0.150 . 1 . . . . 1118 VAL N . 11081 1
616 . 1 1 51 51 PHE H H 1 9.452 0.016 . 1 . . . . 1119 PHE H . 11081 1
617 . 1 1 51 51 PHE HA H 1 5.686 0.008 . 1 . . . . 1119 PHE HA . 11081 1
618 . 1 1 51 51 PHE HB2 H 1 3.071 0.011 . 2 . . . . 1119 PHE HB2 . 11081 1
619 . 1 1 51 51 PHE HD1 H 1 6.913 0.009 . 3 . . . . 1119 PHE HD1 . 11081 1
620 . 1 1 51 51 PHE HD2 H 1 6.913 0.009 . 3 . . . . 1119 PHE HD2 . 11081 1
621 . 1 1 51 51 PHE HE1 H 1 7.321 0.004 . 3 . . . . 1119 PHE HE1 . 11081 1
622 . 1 1 51 51 PHE HE2 H 1 7.321 0.004 . 3 . . . . 1119 PHE HE2 . 11081 1
623 . 1 1 51 51 PHE HZ H 1 6.915 0.008 . 1 . . . . 1119 PHE HZ . 11081 1
624 . 1 1 51 51 PHE C C 13 170.138 0.000 . 1 . . . . 1119 PHE CO . 11081 1
625 . 1 1 51 51 PHE CA C 13 54.990 0.036 . 1 . . . . 1119 PHE CA . 11081 1
626 . 1 1 51 51 PHE CB C 13 40.777 0.028 . 1 . . . . 1119 PHE CB . 11081 1
627 . 1 1 51 51 PHE CD1 C 13 129.964 0.041 . 3 . . . . 1119 PHE CD1 . 11081 1
628 . 1 1 51 51 PHE CD2 C 13 129.964 0.041 . 3 . . . . 1119 PHE CD2 . 11081 1
629 . 1 1 51 51 PHE CE1 C 13 129.344 0.071 . 3 . . . . 1119 PHE CE1 . 11081 1
630 . 1 1 51 51 PHE CE2 C 13 129.344 0.071 . 3 . . . . 1119 PHE CE2 . 11081 1
631 . 1 1 51 51 PHE CZ C 13 129.993 0.028 . 1 . . . . 1119 PHE CZ . 11081 1
632 . 1 1 51 51 PHE N N 15 122.562 0.054 . 1 . . . . 1119 PHE N . 11081 1
633 . 1 1 52 52 PRO HA H 1 4.024 0.006 . 1 . . . . 1120 PRO HA . 11081 1
634 . 1 1 52 52 PRO HB2 H 1 1.322 0.004 . 2 . . . . 1120 PRO HB2 . 11081 1
635 . 1 1 52 52 PRO HB3 H 1 0.893 0.005 . 2 . . . . 1120 PRO HB3 . 11081 1
636 . 1 1 52 52 PRO HD2 H 1 4.010 0.006 . 2 . . . . 1120 PRO HD2 . 11081 1
637 . 1 1 52 52 PRO HD3 H 1 3.488 0.008 . 2 . . . . 1120 PRO HD3 . 11081 1
638 . 1 1 52 52 PRO HG2 H 1 1.031 0.009 . 2 . . . . 1120 PRO HG2 . 11081 1
639 . 1 1 52 52 PRO HG3 H 1 1.014 0.003 . 2 . . . . 1120 PRO HG3 . 11081 1
640 . 1 1 52 52 PRO C C 13 178.448 0.003 . 1 . . . . 1120 PRO CO . 11081 1
641 . 1 1 52 52 PRO CA C 13 60.693 0.036 . 1 . . . . 1120 PRO CA . 11081 1
642 . 1 1 52 52 PRO CB C 13 30.298 0.068 . 1 . . . . 1120 PRO CB . 11081 1
643 . 1 1 52 52 PRO CD C 13 50.851 0.036 . 1 . . . . 1120 PRO CD . 11081 1
644 . 1 1 52 52 PRO CG C 13 26.470 0.055 . 1 . . . . 1120 PRO CG . 11081 1
645 . 1 1 53 53 VAL H H 1 7.803 0.021 . 1 . . . . 1121 VAL H . 11081 1
646 . 1 1 53 53 VAL HA H 1 3.021 0.005 . 1 . . . . 1121 VAL HA . 11081 1
647 . 1 1 53 53 VAL HB H 1 1.063 0.007 . 1 . . . . 1121 VAL HB . 11081 1
648 . 1 1 53 53 VAL HG11 H 1 -0.006 0.008 . 1 . . . . 1121 VAL HG11 . 11081 1
649 . 1 1 53 53 VAL HG12 H 1 -0.006 0.008 . 1 . . . . 1121 VAL HG12 . 11081 1
650 . 1 1 53 53 VAL HG13 H 1 -0.006 0.008 . 1 . . . . 1121 VAL HG13 . 11081 1
651 . 1 1 53 53 VAL HG21 H 1 -0.541 0.003 . 1 . . . . 1121 VAL HG21 . 11081 1
652 . 1 1 53 53 VAL HG22 H 1 -0.541 0.003 . 1 . . . . 1121 VAL HG22 . 11081 1
653 . 1 1 53 53 VAL HG23 H 1 -0.541 0.003 . 1 . . . . 1121 VAL HG23 . 11081 1
654 . 1 1 53 53 VAL C C 13 177.424 0.001 . 1 . . . . 1121 VAL CO . 11081 1
655 . 1 1 53 53 VAL CA C 13 64.770 0.045 . 1 . . . . 1121 VAL CA . 11081 1
656 . 1 1 53 53 VAL CB C 13 31.333 0.041 . 1 . . . . 1121 VAL CB . 11081 1
657 . 1 1 53 53 VAL CG1 C 13 20.103 0.047 . 1 . . . . 1121 VAL CG1 . 11081 1
658 . 1 1 53 53 VAL CG2 C 13 20.612 0.045 . 1 . . . . 1121 VAL CG2 . 11081 1
659 . 1 1 53 53 VAL N N 15 126.811 0.054 . 1 . . . . 1121 VAL N . 11081 1
660 . 1 1 54 54 SER H H 1 8.353 0.018 . 1 . . . . 1122 SER H . 11081 1
661 . 1 1 54 54 SER HA H 1 4.227 0.008 . 1 . . . . 1122 SER HA . 11081 1
662 . 1 1 54 54 SER HB2 H 1 4.048 0.009 . 2 . . . . 1122 SER HB2 . 11081 1
663 . 1 1 54 54 SER HB3 H 1 3.857 0.004 . 2 . . . . 1122 SER HB3 . 11081 1
664 . 1 1 54 54 SER C C 13 175.520 0.001 . 1 . . . . 1122 SER CO . 11081 1
665 . 1 1 54 54 SER CA C 13 59.853 0.072 . 1 . . . . 1122 SER CA . 11081 1
666 . 1 1 54 54 SER CB C 13 62.997 0.086 . 1 . . . . 1122 SER CB . 11081 1
667 . 1 1 54 54 SER N N 15 112.741 0.099 . 1 . . . . 1122 SER N . 11081 1
668 . 1 1 55 55 PHE H H 1 7.964 0.002 . 1 . . . . 1123 PHE H . 11081 1
669 . 1 1 55 55 PHE HA H 1 4.916 0.007 . 1 . . . . 1123 PHE HA . 11081 1
670 . 1 1 55 55 PHE HB2 H 1 3.827 0.006 . 2 . . . . 1123 PHE HB2 . 11081 1
671 . 1 1 55 55 PHE HB3 H 1 3.606 0.009 . 2 . . . . 1123 PHE HB3 . 11081 1
672 . 1 1 55 55 PHE HD1 H 1 7.369 0.008 . 3 . . . . 1123 PHE HD1 . 11081 1
673 . 1 1 55 55 PHE HD2 H 1 7.369 0.008 . 3 . . . . 1123 PHE HD2 . 11081 1
674 . 1 1 55 55 PHE HE1 H 1 7.267 0.005 . 3 . . . . 1123 PHE HE1 . 11081 1
675 . 1 1 55 55 PHE HE2 H 1 7.267 0.005 . 3 . . . . 1123 PHE HE2 . 11081 1
676 . 1 1 55 55 PHE C C 13 175.364 0.010 . 1 . . . . 1123 PHE CO . 11081 1
677 . 1 1 55 55 PHE CA C 13 56.895 0.061 . 1 . . . . 1123 PHE CA . 11081 1
678 . 1 1 55 55 PHE CB C 13 38.501 0.048 . 1 . . . . 1123 PHE CB . 11081 1
679 . 1 1 55 55 PHE CD1 C 13 130.207 0.011 . 3 . . . . 1123 PHE CD1 . 11081 1
680 . 1 1 55 55 PHE CD2 C 13 130.207 0.011 . 3 . . . . 1123 PHE CD2 . 11081 1
681 . 1 1 55 55 PHE CE1 C 13 131.673 0.168 . 3 . . . . 1123 PHE CE1 . 11081 1
682 . 1 1 55 55 PHE CE2 C 13 131.673 0.168 . 3 . . . . 1123 PHE CE2 . 11081 1
683 . 1 1 55 55 PHE N N 15 121.452 0.057 . 1 . . . . 1123 PHE N . 11081 1
684 . 1 1 56 56 VAL H H 1 7.720 0.018 . 1 . . . . 1124 VAL H . 11081 1
685 . 1 1 56 56 VAL HA H 1 5.320 0.008 . 1 . . . . 1124 VAL HA . 11081 1
686 . 1 1 56 56 VAL HB H 1 1.788 0.021 . 1 . . . . 1124 VAL HB . 11081 1
687 . 1 1 56 56 VAL HG11 H 1 0.492 0.010 . 1 . . . . 1124 VAL HG11 . 11081 1
688 . 1 1 56 56 VAL HG12 H 1 0.492 0.010 . 1 . . . . 1124 VAL HG12 . 11081 1
689 . 1 1 56 56 VAL HG13 H 1 0.492 0.010 . 1 . . . . 1124 VAL HG13 . 11081 1
690 . 1 1 56 56 VAL HG21 H 1 0.876 0.007 . 1 . . . . 1124 VAL HG21 . 11081 1
691 . 1 1 56 56 VAL HG22 H 1 0.876 0.007 . 1 . . . . 1124 VAL HG22 . 11081 1
692 . 1 1 56 56 VAL HG23 H 1 0.876 0.007 . 1 . . . . 1124 VAL HG23 . 11081 1
693 . 1 1 56 56 VAL C C 13 173.637 0.004 . 1 . . . . 1124 VAL CO . 11081 1
694 . 1 1 56 56 VAL CA C 13 58.628 0.054 . 1 . . . . 1124 VAL CA . 11081 1
695 . 1 1 56 56 VAL CB C 13 35.817 0.043 . 1 . . . . 1124 VAL CB . 11081 1
696 . 1 1 56 56 VAL CG1 C 13 20.819 0.039 . 1 . . . . 1124 VAL CG1 . 11081 1
697 . 1 1 56 56 VAL CG2 C 13 17.818 0.044 . 1 . . . . 1124 VAL CG2 . 11081 1
698 . 1 1 56 56 VAL N N 15 110.919 0.038 . 1 . . . . 1124 VAL N . 11081 1
699 . 1 1 57 57 HIS H H 1 9.041 0.006 . 1 . . . . 1125 HIS H . 11081 1
700 . 1 1 57 57 HIS HA H 1 5.069 0.005 . 1 . . . . 1125 HIS HA . 11081 1
701 . 1 1 57 57 HIS HB2 H 1 2.999 0.007 . 2 . . . . 1125 HIS HB2 . 11081 1
702 . 1 1 57 57 HIS HB3 H 1 2.897 0.007 . 2 . . . . 1125 HIS HB3 . 11081 1
703 . 1 1 57 57 HIS HD2 H 1 6.876 0.011 . 1 . . . . 1125 HIS HD2 . 11081 1
704 . 1 1 57 57 HIS HE1 H 1 7.915 0.002 . 1 . . . . 1125 HIS HE1 . 11081 1
705 . 1 1 57 57 HIS C C 13 174.814 0.001 . 1 . . . . 1125 HIS CO . 11081 1
706 . 1 1 57 57 HIS CA C 13 53.200 0.070 . 1 . . . . 1125 HIS CA . 11081 1
707 . 1 1 57 57 HIS CB C 13 33.067 0.244 . 1 . . . . 1125 HIS CB . 11081 1
708 . 1 1 57 57 HIS CD2 C 13 120.032 0.035 . 1 . . . . 1125 HIS CD2 . 11081 1
709 . 1 1 57 57 HIS CE1 C 13 137.912 0.008 . 1 . . . . 1125 HIS CE1 . 11081 1
710 . 1 1 57 57 HIS N N 15 118.004 0.303 . 1 . . . . 1125 HIS N . 11081 1
711 . 1 1 58 58 ILE H H 1 8.766 0.042 . 1 . . . . 1126 ILE H . 11081 1
712 . 1 1 58 58 ILE HA H 1 3.996 0.006 . 1 . . . . 1126 ILE HA . 11081 1
713 . 1 1 58 58 ILE HB H 1 1.819 0.008 . 1 . . . . 1126 ILE HB . 11081 1
714 . 1 1 58 58 ILE HD11 H 1 1.006 0.008 . 1 . . . . 1126 ILE HD11 . 11081 1
715 . 1 1 58 58 ILE HD12 H 1 1.006 0.008 . 1 . . . . 1126 ILE HD12 . 11081 1
716 . 1 1 58 58 ILE HD13 H 1 1.006 0.008 . 1 . . . . 1126 ILE HD13 . 11081 1
717 . 1 1 58 58 ILE HG12 H 1 1.701 0.006 . 2 . . . . 1126 ILE HG12 . 11081 1
718 . 1 1 58 58 ILE HG13 H 1 1.296 0.007 . 2 . . . . 1126 ILE HG13 . 11081 1
719 . 1 1 58 58 ILE HG21 H 1 1.000 0.009 . 1 . . . . 1126 ILE HG21 . 11081 1
720 . 1 1 58 58 ILE HG22 H 1 1.000 0.009 . 1 . . . . 1126 ILE HG22 . 11081 1
721 . 1 1 58 58 ILE HG23 H 1 1.000 0.009 . 1 . . . . 1126 ILE HG23 . 11081 1
722 . 1 1 58 58 ILE C C 13 175.732 0.000 . 1 . . . . 1126 ILE CO . 11081 1
723 . 1 1 58 58 ILE CA C 13 62.706 0.094 . 1 . . . . 1126 ILE CA . 11081 1
724 . 1 1 58 58 ILE CB C 13 38.240 0.077 . 1 . . . . 1126 ILE CB . 11081 1
725 . 1 1 58 58 ILE CD1 C 13 13.321 0.038 . 1 . . . . 1126 ILE CD1 . 11081 1
726 . 1 1 58 58 ILE CG1 C 13 28.599 0.048 . 1 . . . . 1126 ILE CG1 . 11081 1
727 . 1 1 58 58 ILE CG2 C 13 17.941 0.031 . 1 . . . . 1126 ILE CG2 . 11081 1
728 . 1 1 58 58 ILE N N 15 125.253 0.219 . 1 . . . . 1126 ILE N . 11081 1
729 . 1 1 59 59 LEU H H 1 8.209 0.017 . 1 . . . . 1127 LEU H . 11081 1
730 . 1 1 59 59 LEU HA H 1 4.598 0.004 . 1 . . . . 1127 LEU HA . 11081 1
731 . 1 1 59 59 LEU HB2 H 1 1.656 0.009 . 2 . . . . 1127 LEU HB2 . 11081 1
732 . 1 1 59 59 LEU HB3 H 1 1.496 0.009 . 2 . . . . 1127 LEU HB3 . 11081 1
733 . 1 1 59 59 LEU HD11 H 1 0.788 0.010 . 1 . . . . 1127 LEU HD11 . 11081 1
734 . 1 1 59 59 LEU HD12 H 1 0.788 0.010 . 1 . . . . 1127 LEU HD12 . 11081 1
735 . 1 1 59 59 LEU HD13 H 1 0.788 0.010 . 1 . . . . 1127 LEU HD13 . 11081 1
736 . 1 1 59 59 LEU HD21 H 1 0.866 0.011 . 1 . . . . 1127 LEU HD21 . 11081 1
737 . 1 1 59 59 LEU HD22 H 1 0.866 0.011 . 1 . . . . 1127 LEU HD22 . 11081 1
738 . 1 1 59 59 LEU HD23 H 1 0.866 0.011 . 1 . . . . 1127 LEU HD23 . 11081 1
739 . 1 1 59 59 LEU HG H 1 1.547 0.003 . 1 . . . . 1127 LEU HG . 11081 1
740 . 1 1 59 59 LEU C C 13 177.049 0.002 . 1 . . . . 1127 LEU CO . 11081 1
741 . 1 1 59 59 LEU CA C 13 54.169 0.083 . 1 . . . . 1127 LEU CA . 11081 1
742 . 1 1 59 59 LEU CB C 13 42.446 0.041 . 1 . . . . 1127 LEU CB . 11081 1
743 . 1 1 59 59 LEU CD1 C 13 25.773 0.080 . 1 . . . . 1127 LEU CD1 . 11081 1
744 . 1 1 59 59 LEU CD2 C 13 23.345 0.101 . 1 . . . . 1127 LEU CD2 . 11081 1
745 . 1 1 59 59 LEU CG C 13 26.454 0.565 . 1 . . . . 1127 LEU CG . 11081 1
746 . 1 1 59 59 LEU N N 15 128.279 0.028 . 1 . . . . 1127 LEU N . 11081 1
747 . 1 1 60 60 SER H H 1 8.555 0.003 . 1 . . . . 1128 SER H . 11081 1
748 . 1 1 60 60 SER HA H 1 4.481 0.005 . 1 . . . . 1128 SER HA . 11081 1
749 . 1 1 60 60 SER HB2 H 1 3.888 0.005 . 2 . . . . 1128 SER HB2 . 11081 1
750 . 1 1 60 60 SER HB3 H 1 3.875 0.005 . 2 . . . . 1128 SER HB3 . 11081 1
751 . 1 1 60 60 SER C C 13 173.248 0.001 . 1 . . . . 1128 SER CO . 11081 1
752 . 1 1 60 60 SER CA C 13 58.359 0.078 . 1 . . . . 1128 SER CA . 11081 1
753 . 1 1 60 60 SER CB C 13 64.070 0.080 . 1 . . . . 1128 SER CB . 11081 1
754 . 1 1 60 60 SER N N 15 117.866 0.017 . 1 . . . . 1128 SER N . 11081 1
755 . 1 1 61 61 ASP H H 1 7.991 0.007 . 1 . . . . 1129 ASP H . 11081 1
756 . 1 1 61 61 ASP HA H 1 4.391 0.003 . 1 . . . . 1129 ASP HA . 11081 1
757 . 1 1 61 61 ASP HB2 H 1 2.648 0.004 . 2 . . . . 1129 ASP HB2 . 11081 1
758 . 1 1 61 61 ASP HB3 H 1 2.593 0.007 . 2 . . . . 1129 ASP HB3 . 11081 1
759 . 1 1 61 61 ASP C C 13 180.779 0.000 . 1 . . . . 1129 ASP CO . 11081 1
760 . 1 1 61 61 ASP CA C 13 55.659 0.074 . 1 . . . . 1129 ASP CA . 11081 1
761 . 1 1 61 61 ASP CB C 13 42.387 0.049 . 1 . . . . 1129 ASP CB . 11081 1
762 . 1 1 61 61 ASP N N 15 127.512 0.008 . 1 . . . . 1129 ASP N . 11081 1
stop_
save_