Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6888
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_Assigned_chem_shift_list.Chem_shift_1H_err 0.05
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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 1H15N_HSQC 1 $sample_1 isotropic 6888 1
2 1H1H15N_TOCSYHSQC 1 $sample_1 isotropic 6888 1
3 1H1H15N_NOESYHSQC 1 $sample_1 isotropic 6888 1
4 1H1H_TOCSY 1 $sample_1 isotropic 6888 1
5 1H1H_NOESY 1 $sample_1 isotropic 6888 1
6 1H1H15N_HNHA 1 $sample_1 isotropic 6888 1
7 1H1H15N_HNHB 1 $sample_1 isotropic 6888 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 6888 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 10 10 ALA H H 1 8.037 0.050 . 1 . . . . 1 ALA H . 6888 1
2 . 1 1 10 10 ALA HA H 1 4.331 0.050 . 1 . . . . 1 ALA HA . 6888 1
3 . 1 1 10 10 ALA HB1 H 1 1.343 0.050 . 1 . . . . 1 ALA QB . 6888 1
4 . 1 1 10 10 ALA HB2 H 1 1.343 0.050 . 1 . . . . 1 ALA QB . 6888 1
5 . 1 1 10 10 ALA HB3 H 1 1.343 0.050 . 1 . . . . 1 ALA QB . 6888 1
6 . 1 1 10 10 ALA N N 15 123.696 0.100 . 1 . . . . 1 ALA N . 6888 1
7 . 1 1 11 11 ALA H H 1 8.194 0.050 . 1 . . . . 2 ALA H . 6888 1
8 . 1 1 11 11 ALA HA H 1 4.656 0.050 . 1 . . . . 2 ALA HA . 6888 1
9 . 1 1 11 11 ALA HB1 H 1 1.334 0.050 . 1 . . . . 2 ALA QB . 6888 1
10 . 1 1 11 11 ALA HB2 H 1 1.334 0.050 . 1 . . . . 2 ALA QB . 6888 1
11 . 1 1 11 11 ALA HB3 H 1 1.334 0.050 . 1 . . . . 2 ALA QB . 6888 1
12 . 1 1 11 11 ALA N N 15 124.531 0.100 . 1 . . . . 2 ALA N . 6888 1
13 . 1 1 12 12 PRO HB2 H 1 2.107 0.006 . 2 . . . . 3 PRO HB2 . 6888 1
14 . 1 1 12 12 PRO HB3 H 1 1.906 0.050 . 2 . . . . 3 PRO HB3 . 6888 1
15 . 1 1 12 12 PRO HG2 H 1 1.920 0.014 . 2 . . . . 3 PRO HG2 . 6888 1
16 . 1 1 12 12 PRO HG3 H 1 1.508 0.050 . 2 . . . . 3 PRO HG3 . 6888 1
17 . 1 1 12 12 PRO HD2 H 1 3.809 0.050 . 2 . . . . 3 PRO HD2 . 6888 1
18 . 1 1 12 12 PRO HD3 H 1 3.136 0.050 . 2 . . . . 3 PRO HD3 . 6888 1
19 . 1 1 13 13 THR H H 1 8.764 0.050 . 1 . . . . 4 THR H . 6888 1
20 . 1 1 13 13 THR HA H 1 4.653 0.015 . 1 . . . . 4 THR HA . 6888 1
21 . 1 1 13 13 THR HB H 1 4.049 0.007 . 1 . . . . 4 THR HB . 6888 1
22 . 1 1 13 13 THR HG21 H 1 1.131 0.050 . 1 . . . . 4 THR QG2 . 6888 1
23 . 1 1 13 13 THR HG22 H 1 1.131 0.050 . 1 . . . . 4 THR QG2 . 6888 1
24 . 1 1 13 13 THR HG23 H 1 1.131 0.050 . 1 . . . . 4 THR QG2 . 6888 1
25 . 1 1 13 13 THR N N 15 114.315 0.100 . 1 . . . . 4 THR N . 6888 1
26 . 1 1 14 14 ALA H H 1 8.340 0.001 . 1 . . . . 5 ALA H . 6888 1
27 . 1 1 14 14 ALA HA H 1 5.495 0.011 . 1 . . . . 5 ALA HA . 6888 1
28 . 1 1 14 14 ALA HB1 H 1 1.148 0.050 . 1 . . . . 5 ALA QB . 6888 1
29 . 1 1 14 14 ALA HB2 H 1 1.148 0.050 . 1 . . . . 5 ALA QB . 6888 1
30 . 1 1 14 14 ALA HB3 H 1 1.148 0.050 . 1 . . . . 5 ALA QB . 6888 1
31 . 1 1 14 14 ALA N N 15 123.310 0.100 . 1 . . . . 5 ALA N . 6888 1
32 . 1 1 15 15 THR H H 1 8.885 0.001 . 1 . . . . 6 THR H . 6888 1
33 . 1 1 15 15 THR HA H 1 4.583 0.007 . 1 . . . . 6 THR HA . 6888 1
34 . 1 1 15 15 THR HB H 1 4.028 0.007 . 1 . . . . 6 THR HB . 6888 1
35 . 1 1 15 15 THR HG21 H 1 1.149 0.050 . 1 . . . . 6 THR QG2 . 6888 1
36 . 1 1 15 15 THR HG22 H 1 1.149 0.050 . 1 . . . . 6 THR QG2 . 6888 1
37 . 1 1 15 15 THR HG23 H 1 1.149 0.050 . 1 . . . . 6 THR QG2 . 6888 1
38 . 1 1 15 15 THR N N 15 111.648 0.100 . 1 . . . . 6 THR N . 6888 1
39 . 1 1 16 16 VAL H H 1 8.464 0.002 . 1 . . . . 7 VAL H . 6888 1
40 . 1 1 16 16 VAL HA H 1 4.804 0.050 . 1 . . . . 7 VAL HA . 6888 1
41 . 1 1 16 16 VAL HB H 1 1.694 0.050 . 1 . . . . 7 VAL HB . 6888 1
42 . 1 1 16 16 VAL HG11 H 1 0.747 0.012 . 2 . . . . 7 VAL QG1 . 6888 1
43 . 1 1 16 16 VAL HG12 H 1 0.747 0.012 . 2 . . . . 7 VAL QG1 . 6888 1
44 . 1 1 16 16 VAL HG13 H 1 0.747 0.012 . 2 . . . . 7 VAL QG1 . 6888 1
45 . 1 1 16 16 VAL HG21 H 1 0.747 0.012 . 2 . . . . 7 VAL QG2 . 6888 1
46 . 1 1 16 16 VAL HG22 H 1 0.747 0.012 . 2 . . . . 7 VAL QG2 . 6888 1
47 . 1 1 16 16 VAL HG23 H 1 0.747 0.012 . 2 . . . . 7 VAL QG2 . 6888 1
48 . 1 1 16 16 VAL N N 15 124.017 0.100 . 1 . . . . 7 VAL N . 6888 1
49 . 1 1 17 17 THR H H 1 8.773 0.008 . 1 . . . . 8 THR H . 6888 1
50 . 1 1 17 17 THR HA H 1 4.806 0.050 . 1 . . . . 8 THR HA . 6888 1
51 . 1 1 17 17 THR HB H 1 3.940 0.050 . 1 . . . . 8 THR HB . 6888 1
52 . 1 1 17 17 THR HG21 H 1 1.197 0.007 . 1 . . . . 8 THR QG2 . 6888 1
53 . 1 1 17 17 THR HG22 H 1 1.197 0.007 . 1 . . . . 8 THR QG2 . 6888 1
54 . 1 1 17 17 THR HG23 H 1 1.197 0.007 . 1 . . . . 8 THR QG2 . 6888 1
55 . 1 1 17 17 THR N N 15 120.740 0.100 . 1 . . . . 8 THR N . 6888 1
56 . 1 1 18 18 PRO HA H 1 5.028 0.005 . 1 . . . . 9 PRO HA . 6888 1
57 . 1 1 18 18 PRO HB2 H 1 2.586 0.002 . 2 . . . . 9 PRO HB2 . 6888 1
58 . 1 1 18 18 PRO HB3 H 1 2.269 0.006 . 2 . . . . 9 PRO HB3 . 6888 1
59 . 1 1 18 18 PRO HG2 H 1 2.002 0.005 . 2 . . . . 9 PRO HG2 . 6888 1
60 . 1 1 18 18 PRO HG3 H 1 1.760 0.011 . 2 . . . . 9 PRO HG3 . 6888 1
61 . 1 1 18 18 PRO HD2 H 1 3.726 0.050 . 2 . . . . 9 PRO HD2 . 6888 1
62 . 1 1 19 19 SER H H 1 8.411 0.050 . 1 . . . . 10 SER H . 6888 1
63 . 1 1 19 19 SER HA H 1 4.679 0.007 . 1 . . . . 10 SER HA . 6888 1
64 . 1 1 19 19 SER HB2 H 1 4.323 0.009 . 2 . . . . 10 SER HB2 . 6888 1
65 . 1 1 19 19 SER HB3 H 1 3.778 0.006 . 2 . . . . 10 SER HB3 . 6888 1
66 . 1 1 19 19 SER N N 15 105.575 0.100 . 1 . . . . 10 SER N . 6888 1
67 . 1 1 20 20 SER H H 1 7.624 0.001 . 1 . . . . 11 SER H . 6888 1
68 . 1 1 20 20 SER HA H 1 5.231 0.003 . 1 . . . . 11 SER HA . 6888 1
69 . 1 1 20 20 SER HB2 H 1 3.762 0.050 . 1 . . . . 11 SER HB2 . 6888 1
70 . 1 1 20 20 SER HB3 H 1 3.762 0.050 . 1 . . . . 11 SER HB3 . 6888 1
71 . 1 1 20 20 SER N N 15 116.113 0.100 . 1 . . . . 11 SER N . 6888 1
72 . 1 1 21 21 GLY H H 1 8.305 0.005 . 1 . . . . 12 GLY H . 6888 1
73 . 1 1 21 21 GLY HA2 H 1 3.774 0.015 . 2 . . . . 12 GLY HA2 . 6888 1
74 . 1 1 21 21 GLY HA3 H 1 3.671 0.050 . 2 . . . . 12 GLY HA3 . 6888 1
75 . 1 1 21 21 GLY N N 15 110.974 0.100 . 1 . . . . 12 GLY N . 6888 1
76 . 1 1 22 22 LEU H H 1 7.799 0.002 . 1 . . . . 13 LEU H . 6888 1
77 . 1 1 22 22 LEU HA H 1 3.936 0.050 . 1 . . . . 13 LEU HA . 6888 1
78 . 1 1 22 22 LEU HB2 H 1 0.668 0.001 . 1 . . . . 13 LEU HB2 . 6888 1
79 . 1 1 22 22 LEU HB3 H 1 0.668 0.001 . 1 . . . . 13 LEU HB3 . 6888 1
80 . 1 1 22 22 LEU HG H 1 0.202 0.009 . 1 . . . . 13 LEU HG . 6888 1
81 . 1 1 22 22 LEU HD11 H 1 1.118 0.003 . 2 . . . . 13 LEU QD1 . 6888 1
82 . 1 1 22 22 LEU HD12 H 1 1.118 0.003 . 2 . . . . 13 LEU QD1 . 6888 1
83 . 1 1 22 22 LEU HD13 H 1 1.118 0.003 . 2 . . . . 13 LEU QD1 . 6888 1
84 . 1 1 22 22 LEU HD21 H 1 0.463 0.009 . 2 . . . . 13 LEU QD2 . 6888 1
85 . 1 1 22 22 LEU HD22 H 1 0.463 0.009 . 2 . . . . 13 LEU QD2 . 6888 1
86 . 1 1 22 22 LEU HD23 H 1 0.463 0.009 . 2 . . . . 13 LEU QD2 . 6888 1
87 . 1 1 22 22 LEU N N 15 116.884 0.100 . 1 . . . . 13 LEU N . 6888 1
88 . 1 1 23 23 SER H H 1 7.538 0.010 . 1 . . . . 14 SER H . 6888 1
89 . 1 1 23 23 SER HA H 1 5.058 0.012 . 1 . . . . 14 SER HA . 6888 1
90 . 1 1 23 23 SER HB2 H 1 3.932 0.009 . 2 . . . . 14 SER HB2 . 6888 1
91 . 1 1 23 23 SER HB3 H 1 3.755 0.002 . 2 . . . . 14 SER HB3 . 6888 1
92 . 1 1 23 23 SER N N 15 112.743 0.002 . 1 . . . . 14 SER N . 6888 1
93 . 1 1 25 25 GLY H H 1 8.767 0.005 . 1 . . . . 16 GLY H . 6888 1
94 . 1 1 25 25 GLY HA2 H 1 4.266 0.007 . 2 . . . . 16 GLY HA2 . 6888 1
95 . 1 1 25 25 GLY HA3 H 1 3.576 0.003 . 2 . . . . 16 GLY HA3 . 6888 1
96 . 1 1 25 25 GLY N N 15 115.857 0.100 . 1 . . . . 16 GLY N . 6888 1
97 . 1 1 26 26 THR H H 1 7.595 0.004 . 1 . . . . 17 THR H . 6888 1
98 . 1 1 26 26 THR HA H 1 4.084 0.001 . 1 . . . . 17 THR HA . 6888 1
99 . 1 1 26 26 THR HB H 1 3.917 0.008 . 1 . . . . 17 THR HB . 6888 1
100 . 1 1 26 26 THR HG21 H 1 1.190 0.006 . 1 . . . . 17 THR QG2 . 6888 1
101 . 1 1 26 26 THR HG22 H 1 1.190 0.006 . 1 . . . . 17 THR QG2 . 6888 1
102 . 1 1 26 26 THR HG23 H 1 1.190 0.006 . 1 . . . . 17 THR QG2 . 6888 1
103 . 1 1 26 26 THR N N 15 118.169 0.100 . 1 . . . . 17 THR N . 6888 1
104 . 1 1 27 27 VAL H H 1 8.208 0.001 . 1 . . . . 18 VAL H . 6888 1
105 . 1 1 27 27 VAL HA H 1 4.683 0.001 . 1 . . . . 18 VAL HA . 6888 1
106 . 1 1 27 27 VAL HB H 1 1.948 0.007 . 1 . . . . 18 VAL HB . 6888 1
107 . 1 1 27 27 VAL HG11 H 1 1.053 0.012 . 2 . . . . 18 VAL QG1 . 6888 1
108 . 1 1 27 27 VAL HG12 H 1 1.053 0.012 . 2 . . . . 18 VAL QG1 . 6888 1
109 . 1 1 27 27 VAL HG13 H 1 1.053 0.012 . 2 . . . . 18 VAL QG1 . 6888 1
110 . 1 1 27 27 VAL HG21 H 1 0.854 0.050 . 2 . . . . 18 VAL QG2 . 6888 1
111 . 1 1 27 27 VAL HG22 H 1 0.854 0.050 . 2 . . . . 18 VAL QG2 . 6888 1
112 . 1 1 27 27 VAL HG23 H 1 0.854 0.050 . 2 . . . . 18 VAL QG2 . 6888 1
113 . 1 1 27 27 VAL N N 15 126.330 0.100 . 1 . . . . 18 VAL N . 6888 1
114 . 1 1 28 28 VAL H H 1 9.203 0.002 . 1 . . . . 19 VAL H . 6888 1
115 . 1 1 28 28 VAL HA H 1 4.681 0.050 . 1 . . . . 19 VAL HA . 6888 1
116 . 1 1 28 28 VAL HB H 1 2.015 0.001 . 1 . . . . 19 VAL HB . 6888 1
117 . 1 1 28 28 VAL HG11 H 1 0.753 0.001 . 2 . . . . 19 VAL QG1 . 6888 1
118 . 1 1 28 28 VAL HG12 H 1 0.753 0.001 . 2 . . . . 19 VAL QG1 . 6888 1
119 . 1 1 28 28 VAL HG13 H 1 0.753 0.001 . 2 . . . . 19 VAL QG1 . 6888 1
120 . 1 1 28 28 VAL HG21 H 1 0.753 0.001 . 2 . . . . 19 VAL QG2 . 6888 1
121 . 1 1 28 28 VAL HG22 H 1 0.753 0.001 . 2 . . . . 19 VAL QG2 . 6888 1
122 . 1 1 28 28 VAL HG23 H 1 0.753 0.001 . 2 . . . . 19 VAL QG2 . 6888 1
123 . 1 1 28 28 VAL N N 15 122.025 0.002 . 1 . . . . 19 VAL N . 6888 1
124 . 1 1 29 29 LYS H H 1 8.538 0.003 . 1 . . . . 20 LYS H . 6888 1
125 . 1 1 29 29 LYS HA H 1 4.807 0.050 . 1 . . . . 20 LYS HA . 6888 1
126 . 1 1 29 29 LYS HB2 H 1 1.825 0.010 . 1 . . . . 20 LYS HB2 . 6888 1
127 . 1 1 29 29 LYS HB3 H 1 1.825 0.010 . 1 . . . . 20 LYS HB3 . 6888 1
128 . 1 1 29 29 LYS HG2 H 1 1.421 0.010 . 2 . . . . 20 LYS HG2 . 6888 1
129 . 1 1 29 29 LYS HG3 H 1 1.278 0.020 . 2 . . . . 20 LYS HG3 . 6888 1
130 . 1 1 29 29 LYS N N 15 121.253 0.100 . 1 . . . . 20 LYS N . 6888 1
131 . 1 1 30 30 VAL H H 1 8.909 0.007 . 1 . . . . 21 VAL H . 6888 1
132 . 1 1 30 30 VAL HA H 1 4.790 0.007 . 1 . . . . 21 VAL HA . 6888 1
133 . 1 1 30 30 VAL HB H 1 1.678 0.006 . 1 . . . . 21 VAL HB . 6888 1
134 . 1 1 30 30 VAL HG11 H 1 0.710 0.006 . 2 . . . . 21 VAL QG1 . 6888 1
135 . 1 1 30 30 VAL HG12 H 1 0.710 0.006 . 2 . . . . 21 VAL QG1 . 6888 1
136 . 1 1 30 30 VAL HG13 H 1 0.710 0.006 . 2 . . . . 21 VAL QG1 . 6888 1
137 . 1 1 30 30 VAL HG21 H 1 0.710 0.006 . 2 . . . . 21 VAL QG2 . 6888 1
138 . 1 1 30 30 VAL HG22 H 1 0.710 0.006 . 2 . . . . 21 VAL QG2 . 6888 1
139 . 1 1 30 30 VAL HG23 H 1 0.710 0.006 . 2 . . . . 21 VAL QG2 . 6888 1
140 . 1 1 30 30 VAL N N 15 127.583 0.100 . 1 . . . . 21 VAL N . 6888 1
141 . 1 1 31 31 ALA H H 1 8.856 0.001 . 1 . . . . 22 ALA H . 6888 1
142 . 1 1 31 31 ALA HA H 1 5.263 0.003 . 1 . . . . 22 ALA HA . 6888 1
143 . 1 1 31 31 ALA HB1 H 1 1.309 0.050 . 1 . . . . 22 ALA QB . 6888 1
144 . 1 1 31 31 ALA HB2 H 1 1.309 0.050 . 1 . . . . 22 ALA QB . 6888 1
145 . 1 1 31 31 ALA HB3 H 1 1.309 0.050 . 1 . . . . 22 ALA QB . 6888 1
146 . 1 1 31 31 ALA N N 15 129.479 0.100 . 1 . . . . 22 ALA N . 6888 1
147 . 1 1 32 32 GLY H H 1 8.995 0.003 . 1 . . . . 23 GLY H . 6888 1
148 . 1 1 32 32 GLY HA2 H 1 5.269 0.009 . 2 . . . . 23 GLY HA2 . 6888 1
149 . 1 1 32 32 GLY HA3 H 1 3.135 0.003 . 2 . . . . 23 GLY HA3 . 6888 1
150 . 1 1 32 32 GLY N N 15 106.829 0.100 . 1 . . . . 23 GLY N . 6888 1
151 . 1 1 33 33 ALA H H 1 8.763 0.003 . 1 . . . . 24 ALA H . 6888 1
152 . 1 1 33 33 ALA HA H 1 4.940 0.004 . 1 . . . . 24 ALA HA . 6888 1
153 . 1 1 33 33 ALA HB1 H 1 1.263 0.006 . 1 . . . . 24 ALA QB . 6888 1
154 . 1 1 33 33 ALA HB2 H 1 1.263 0.006 . 1 . . . . 24 ALA QB . 6888 1
155 . 1 1 33 33 ALA HB3 H 1 1.263 0.006 . 1 . . . . 24 ALA QB . 6888 1
156 . 1 1 33 33 ALA N N 15 125.624 0.100 . 1 . . . . 24 ALA N . 6888 1
157 . 1 1 34 34 GLY H H 1 8.812 0.050 . 1 . . . . 25 GLY H . 6888 1
158 . 1 1 34 34 GLY HA2 H 1 4.931 0.050 . 2 . . . . 25 GLY HA2 . 6888 1
159 . 1 1 34 34 GLY HA3 H 1 3.810 0.002 . 2 . . . . 25 GLY HA3 . 6888 1
160 . 1 1 34 34 GLY N N 15 108.403 0.100 . 1 . . . . 25 GLY N . 6888 1
161 . 1 1 35 35 LEU H H 1 8.803 0.002 . 1 . . . . 26 LEU H . 6888 1
162 . 1 1 35 35 LEU HA H 1 4.139 0.017 . 1 . . . . 26 LEU HA . 6888 1
163 . 1 1 35 35 LEU HB2 H 1 1.252 0.014 . 2 . . . . 26 LEU HB2 . 6888 1
164 . 1 1 35 35 LEU HB3 H 1 1.127 0.008 . 2 . . . . 26 LEU HB3 . 6888 1
165 . 1 1 35 35 LEU HG H 1 0.071 0.050 . 1 . . . . 26 LEU HG . 6888 1
166 . 1 1 35 35 LEU HD11 H 1 0.119 0.050 . 2 . . . . 26 LEU QD1 . 6888 1
167 . 1 1 35 35 LEU HD12 H 1 0.119 0.050 . 2 . . . . 26 LEU QD1 . 6888 1
168 . 1 1 35 35 LEU HD13 H 1 0.119 0.050 . 2 . . . . 26 LEU QD1 . 6888 1
169 . 1 1 35 35 LEU HD21 H 1 0.052 0.050 . 2 . . . . 26 LEU QD2 . 6888 1
170 . 1 1 35 35 LEU HD22 H 1 0.052 0.050 . 2 . . . . 26 LEU QD2 . 6888 1
171 . 1 1 35 35 LEU HD23 H 1 0.052 0.050 . 2 . . . . 26 LEU QD2 . 6888 1
172 . 1 1 35 35 LEU N N 15 118.427 0.100 . 1 . . . . 26 LEU N . 6888 1
173 . 1 1 36 36 GLN H H 1 8.066 0.006 . 1 . . . . 27 GLN H . 6888 1
174 . 1 1 36 36 GLN HA H 1 4.252 0.006 . 1 . . . . 27 GLN HA . 6888 1
175 . 1 1 36 36 GLN HB2 H 1 2.064 0.050 . 2 . . . . 27 GLN HB2 . 6888 1
176 . 1 1 36 36 GLN HB3 H 1 2.000 0.050 . 2 . . . . 27 GLN HB3 . 6888 1
177 . 1 1 36 36 GLN HG2 H 1 2.332 0.009 . 1 . . . . 27 GLN HG2 . 6888 1
178 . 1 1 36 36 GLN HG3 H 1 2.332 0.009 . 1 . . . . 27 GLN HG3 . 6888 1
179 . 1 1 36 36 GLN HE21 H 1 7.578 0.001 . 2 . . . . 27 GLN HE21 . 6888 1
180 . 1 1 36 36 GLN HE22 H 1 6.835 0.002 . 2 . . . . 27 GLN HE22 . 6888 1
181 . 1 1 36 36 GLN N N 15 118.941 0.100 . 1 . . . . 27 GLN N . 6888 1
182 . 1 1 36 36 GLN NE2 N 15 112.773 0.001 . 1 . . . . 27 GLN NE2 . 6888 1
183 . 1 1 37 37 ALA H H 1 8.446 0.050 . 1 . . . . 28 ALA H . 6888 1
184 . 1 1 37 37 ALA HA H 1 4.019 0.003 . 1 . . . . 28 ALA HA . 6888 1
185 . 1 1 37 37 ALA HB1 H 1 1.365 0.018 . 1 . . . . 28 ALA QB . 6888 1
186 . 1 1 37 37 ALA HB2 H 1 1.365 0.018 . 1 . . . . 28 ALA QB . 6888 1
187 . 1 1 37 37 ALA HB3 H 1 1.365 0.018 . 1 . . . . 28 ALA QB . 6888 1
188 . 1 1 37 37 ALA N N 15 129.415 0.100 . 1 . . . . 28 ALA N . 6888 1
189 . 1 1 38 38 GLY H H 1 7.925 0.005 . 1 . . . . 29 GLY H . 6888 1
190 . 1 1 38 38 GLY HA2 H 1 4.060 0.016 . 2 . . . . 29 GLY HA2 . 6888 1
191 . 1 1 38 38 GLY HA3 H 1 3.678 0.007 . 2 . . . . 29 GLY HA3 . 6888 1
192 . 1 1 38 38 GLY N N 15 110.717 0.100 . 1 . . . . 29 GLY N . 6888 1
193 . 1 1 39 39 THR H H 1 7.930 0.005 . 1 . . . . 30 THR H . 6888 1
194 . 1 1 39 39 THR HA H 1 4.346 0.050 . 1 . . . . 30 THR HA . 6888 1
195 . 1 1 39 39 THR HB H 1 4.270 0.002 . 1 . . . . 30 THR HB . 6888 1
196 . 1 1 39 39 THR HG21 H 1 0.956 0.009 . 1 . . . . 30 THR QG2 . 6888 1
197 . 1 1 39 39 THR HG22 H 1 0.956 0.009 . 1 . . . . 30 THR QG2 . 6888 1
198 . 1 1 39 39 THR HG23 H 1 0.956 0.009 . 1 . . . . 30 THR QG2 . 6888 1
199 . 1 1 39 39 THR N N 15 118.940 0.100 . 1 . . . . 30 THR N . 6888 1
200 . 1 1 40 40 ALA H H 1 8.318 0.009 . 1 . . . . 31 ALA H . 6888 1
201 . 1 1 40 40 ALA HA H 1 5.028 0.008 . 1 . . . . 31 ALA HA . 6888 1
202 . 1 1 40 40 ALA HB1 H 1 1.275 0.010 . 1 . . . . 31 ALA QB . 6888 1
203 . 1 1 40 40 ALA HB2 H 1 1.275 0.010 . 1 . . . . 31 ALA QB . 6888 1
204 . 1 1 40 40 ALA HB3 H 1 1.275 0.010 . 1 . . . . 31 ALA QB . 6888 1
205 . 1 1 40 40 ALA N N 15 128.868 0.100 . 1 . . . . 31 ALA N . 6888 1
206 . 1 1 41 41 TYR H H 1 9.242 0.002 . 1 . . . . 32 TYR H . 6888 1
207 . 1 1 41 41 TYR HA H 1 4.547 0.004 . 1 . . . . 32 TYR HA . 6888 1
208 . 1 1 41 41 TYR HB2 H 1 2.461 0.050 . 1 . . . . 32 TYR HB2 . 6888 1
209 . 1 1 41 41 TYR HB3 H 1 2.461 0.050 . 1 . . . . 32 TYR HB3 . 6888 1
210 . 1 1 41 41 TYR HD1 H 1 6.806 0.014 . 1 . . . . 32 TYR HD1 . 6888 1
211 . 1 1 41 41 TYR HD2 H 1 6.806 0.014 . 1 . . . . 32 TYR HD2 . 6888 1
212 . 1 1 41 41 TYR N N 15 120.225 0.100 . 1 . . . . 32 TYR N . 6888 1
213 . 1 1 42 42 ASP H H 1 8.786 0.003 . 1 . . . . 33 ASP H . 6888 1
214 . 1 1 42 42 ASP HA H 1 5.123 0.010 . 1 . . . . 33 ASP HA . 6888 1
215 . 1 1 42 42 ASP HB2 H 1 2.399 0.016 . 2 . . . . 33 ASP HB2 . 6888 1
216 . 1 1 42 42 ASP HB3 H 1 2.015 0.009 . 2 . . . . 33 ASP HB3 . 6888 1
217 . 1 1 42 42 ASP N N 15 121.673 0.002 . 1 . . . . 33 ASP N . 6888 1
218 . 1 1 43 43 VAL H H 1 8.414 0.005 . 1 . . . . 34 VAL H . 6888 1
219 . 1 1 43 43 VAL HA H 1 4.760 0.008 . 1 . . . . 34 VAL HA . 6888 1
220 . 1 1 43 43 VAL HB H 1 1.748 0.003 . 1 . . . . 34 VAL HB . 6888 1
221 . 1 1 43 43 VAL HG11 H 1 0.703 0.010 . 2 . . . . 34 VAL QG1 . 6888 1
222 . 1 1 43 43 VAL HG12 H 1 0.703 0.010 . 2 . . . . 34 VAL QG1 . 6888 1
223 . 1 1 43 43 VAL HG13 H 1 0.703 0.010 . 2 . . . . 34 VAL QG1 . 6888 1
224 . 1 1 43 43 VAL HG21 H 1 0.703 0.010 . 2 . . . . 34 VAL QG2 . 6888 1
225 . 1 1 43 43 VAL HG22 H 1 0.703 0.010 . 2 . . . . 34 VAL QG2 . 6888 1
226 . 1 1 43 43 VAL HG23 H 1 0.703 0.010 . 2 . . . . 34 VAL QG2 . 6888 1
227 . 1 1 43 43 VAL N N 15 121.767 0.100 . 1 . . . . 34 VAL N . 6888 1
228 . 1 1 44 44 GLY H H 1 8.030 0.002 . 1 . . . . 35 GLY H . 6888 1
229 . 1 1 44 44 GLY HA2 H 1 4.803 0.050 . 2 . . . . 35 GLY HA2 . 6888 1
230 . 1 1 44 44 GLY HA3 H 1 3.480 0.050 . 2 . . . . 35 GLY HA3 . 6888 1
231 . 1 1 44 44 GLY N N 15 108.404 0.100 . 1 . . . . 35 GLY N . 6888 1
232 . 1 1 45 45 GLN H H 1 9.108 0.050 . 1 . . . . 36 GLN H . 6888 1
233 . 1 1 45 45 GLN HA H 1 5.573 0.007 . 1 . . . . 36 GLN HA . 6888 1
234 . 1 1 45 45 GLN HE21 H 1 9.445 0.050 . 2 . . . . 36 GLN HE21 . 6888 1
235 . 1 1 45 45 GLN HE22 H 1 6.050 0.002 . 2 . . . . 36 GLN HE22 . 6888 1
236 . 1 1 45 45 GLN N N 15 120.225 0.100 . 1 . . . . 36 GLN N . 6888 1
237 . 1 1 45 45 GLN NE2 N 15 113.544 0.100 . 1 . . . . 36 GLN NE2 . 6888 1
238 . 1 1 46 46 CYS H H 1 8.978 0.004 . 1 . . . . 37 CYS H . 6888 1
239 . 1 1 46 46 CYS HA H 1 5.571 0.003 . 1 . . . . 37 CYS HA . 6888 1
240 . 1 1 46 46 CYS HB2 H 1 2.615 0.004 . 2 . . . . 37 CYS HB2 . 6888 1
241 . 1 1 46 46 CYS HB3 H 1 2.378 0.008 . 2 . . . . 37 CYS HB3 . 6888 1
242 . 1 1 46 46 CYS N N 15 122.795 0.100 . 1 . . . . 37 CYS N . 6888 1
243 . 1 1 47 47 ALA H H 1 9.338 0.007 . 1 . . . . 38 ALA H . 6888 1
244 . 1 1 47 47 ALA HA H 1 4.702 0.050 . 1 . . . . 38 ALA HA . 6888 1
245 . 1 1 47 47 ALA HB1 H 1 1.274 0.011 . 1 . . . . 38 ALA QB . 6888 1
246 . 1 1 47 47 ALA HB2 H 1 1.274 0.011 . 1 . . . . 38 ALA QB . 6888 1
247 . 1 1 47 47 ALA HB3 H 1 1.274 0.011 . 1 . . . . 38 ALA QB . 6888 1
248 . 1 1 47 47 ALA N N 15 122.025 0.100 . 1 . . . . 38 ALA N . 6888 1
249 . 1 1 48 48 TRP H H 1 8.536 0.001 . 1 . . . . 39 TRP H . 6888 1
250 . 1 1 48 48 TRP HA H 1 5.020 0.007 . 1 . . . . 39 TRP HA . 6888 1
251 . 1 1 48 48 TRP HB2 H 1 3.135 0.002 . 1 . . . . 39 TRP HB2 . 6888 1
252 . 1 1 48 48 TRP HB3 H 1 3.135 0.002 . 1 . . . . 39 TRP HB3 . 6888 1
253 . 1 1 48 48 TRP HD1 H 1 7.199 0.050 . 1 . . . . 39 TRP HD1 . 6888 1
254 . 1 1 48 48 TRP HE1 H 1 9.846 0.004 . 1 . . . . 39 TRP HE1 . 6888 1
255 . 1 1 48 48 TRP HZ2 H 1 7.448 0.009 . 1 . . . . 39 TRP HZ2 . 6888 1
256 . 1 1 48 48 TRP N N 15 123.567 0.001 . 1 . . . . 39 TRP N . 6888 1
257 . 1 1 48 48 TRP NE1 N 15 128.707 0.100 . 1 . . . . 39 TRP NE1 . 6888 1
258 . 1 1 49 49 VAL H H 1 8.657 0.003 . 1 . . . . 40 VAL H . 6888 1
259 . 1 1 49 49 VAL HA H 1 4.405 0.050 . 1 . . . . 40 VAL HA . 6888 1
260 . 1 1 49 49 VAL HB H 1 1.267 0.050 . 1 . . . . 40 VAL HB . 6888 1
261 . 1 1 49 49 VAL HG11 H 1 0.113 0.007 . 2 . . . . 40 VAL QG1 . 6888 1
262 . 1 1 49 49 VAL HG12 H 1 0.113 0.007 . 2 . . . . 40 VAL QG1 . 6888 1
263 . 1 1 49 49 VAL HG13 H 1 0.113 0.007 . 2 . . . . 40 VAL QG1 . 6888 1
264 . 1 1 49 49 VAL HG21 H 1 -0.511 0.010 . 2 . . . . 40 VAL QG2 . 6888 1
265 . 1 1 49 49 VAL HG22 H 1 -0.511 0.010 . 2 . . . . 40 VAL QG2 . 6888 1
266 . 1 1 49 49 VAL HG23 H 1 -0.511 0.010 . 2 . . . . 40 VAL QG2 . 6888 1
267 . 1 1 49 49 VAL N N 15 125.624 0.100 . 1 . . . . 40 VAL N . 6888 1
268 . 1 1 50 50 ASP H H 1 8.362 0.004 . 1 . . . . 41 ASP H . 6888 1
269 . 1 1 50 50 ASP HA H 1 4.660 0.050 . 1 . . . . 41 ASP HA . 6888 1
270 . 1 1 50 50 ASP HB2 H 1 2.850 0.003 . 2 . . . . 41 ASP HB2 . 6888 1
271 . 1 1 50 50 ASP HB3 H 1 2.489 0.009 . 2 . . . . 41 ASP HB3 . 6888 1
272 . 1 1 50 50 ASP N N 15 118.684 0.100 . 1 . . . . 41 ASP N . 6888 1
273 . 1 1 51 51 THR H H 1 9.126 0.050 . 1 . . . . 42 THR H . 6888 1
274 . 1 1 51 51 THR HA H 1 4.089 0.050 . 1 . . . . 42 THR HA . 6888 1
275 . 1 1 51 51 THR HB H 1 4.167 0.050 . 1 . . . . 42 THR HB . 6888 1
276 . 1 1 51 51 THR HG21 H 1 1.214 0.008 . 1 . . . . 42 THR QG2 . 6888 1
277 . 1 1 51 51 THR HG22 H 1 1.214 0.008 . 1 . . . . 42 THR QG2 . 6888 1
278 . 1 1 51 51 THR HG23 H 1 1.214 0.008 . 1 . . . . 42 THR QG2 . 6888 1
279 . 1 1 51 51 THR N N 15 118.940 0.100 . 1 . . . . 42 THR N . 6888 1
280 . 1 1 52 52 GLY H H 1 8.837 0.050 . 1 . . . . 43 GLY H . 6888 1
281 . 1 1 52 52 GLY HA2 H 1 4.677 0.050 . 2 . . . . 43 GLY HA2 . 6888 1
282 . 1 1 52 52 GLY HA3 H 1 4.155 0.050 . 2 . . . . 43 GLY HA3 . 6888 1
283 . 1 1 52 52 GLY N N 15 114.572 0.100 . 1 . . . . 43 GLY N . 6888 1
284 . 1 1 53 53 VAL H H 1 8.103 0.005 . 1 . . . . 44 VAL H . 6888 1
285 . 1 1 53 53 VAL HA H 1 4.324 0.050 . 1 . . . . 44 VAL HA . 6888 1
286 . 1 1 53 53 VAL HB H 1 1.690 0.004 . 1 . . . . 44 VAL HB . 6888 1
287 . 1 1 53 53 VAL HG11 H 1 0.882 0.018 . 2 . . . . 44 VAL QG1 . 6888 1
288 . 1 1 53 53 VAL HG12 H 1 0.882 0.018 . 2 . . . . 44 VAL QG1 . 6888 1
289 . 1 1 53 53 VAL HG13 H 1 0.882 0.018 . 2 . . . . 44 VAL QG1 . 6888 1
290 . 1 1 53 53 VAL HG21 H 1 0.650 0.006 . 2 . . . . 44 VAL QG2 . 6888 1
291 . 1 1 53 53 VAL HG22 H 1 0.650 0.006 . 2 . . . . 44 VAL QG2 . 6888 1
292 . 1 1 53 53 VAL HG23 H 1 0.650 0.006 . 2 . . . . 44 VAL QG2 . 6888 1
293 . 1 1 53 53 VAL N N 15 121.254 0.100 . 1 . . . . 44 VAL N . 6888 1
294 . 1 1 54 54 LEU H H 1 7.983 0.002 . 1 . . . . 45 LEU H . 6888 1
295 . 1 1 54 54 LEU HA H 1 4.346 0.050 . 1 . . . . 45 LEU HA . 6888 1
296 . 1 1 54 54 LEU HB2 H 1 1.262 0.050 . 2 . . . . 45 LEU HB2 . 6888 1
297 . 1 1 54 54 LEU HB3 H 1 0.598 0.050 . 2 . . . . 45 LEU HB3 . 6888 1
298 . 1 1 54 54 LEU HG H 1 0.641 0.050 . 1 . . . . 45 LEU HG . 6888 1
299 . 1 1 54 54 LEU HD11 H 1 -0.121 0.050 . 2 . . . . 45 LEU QD1 . 6888 1
300 . 1 1 54 54 LEU HD12 H 1 -0.121 0.050 . 2 . . . . 45 LEU QD1 . 6888 1
301 . 1 1 54 54 LEU HD13 H 1 -0.121 0.050 . 2 . . . . 45 LEU QD1 . 6888 1
302 . 1 1 54 54 LEU N N 15 128.933 0.100 . 1 . . . . 45 LEU N . 6888 1
303 . 1 1 55 55 ALA H H 1 8.784 0.050 . 1 . . . . 46 ALA H . 6888 1
304 . 1 1 55 55 ALA HA H 1 4.671 0.014 . 1 . . . . 46 ALA HA . 6888 1
305 . 1 1 55 55 ALA HB1 H 1 0.883 0.050 . 1 . . . . 46 ALA QB . 6888 1
306 . 1 1 55 55 ALA HB2 H 1 0.883 0.050 . 1 . . . . 46 ALA QB . 6888 1
307 . 1 1 55 55 ALA HB3 H 1 0.883 0.050 . 1 . . . . 46 ALA QB . 6888 1
308 . 1 1 55 55 ALA N N 15 126.908 0.100 . 1 . . . . 46 ALA N . 6888 1
309 . 1 1 56 56 CYS H H 1 9.351 0.001 . 1 . . . . 47 CYS H . 6888 1
310 . 1 1 56 56 CYS HA H 1 5.570 0.003 . 1 . . . . 47 CYS HA . 6888 1
311 . 1 1 56 56 CYS HB2 H 1 3.355 0.050 . 2 . . . . 47 CYS HB2 . 6888 1
312 . 1 1 56 56 CYS HB3 H 1 2.966 0.002 . 2 . . . . 47 CYS HB3 . 6888 1
313 . 1 1 56 56 CYS N N 15 118.683 0.100 . 1 . . . . 47 CYS N . 6888 1
314 . 1 1 57 57 ASN H H 1 7.732 0.012 . 1 . . . . 48 ASN H . 6888 1
315 . 1 1 57 57 ASN HA H 1 5.430 0.006 . 1 . . . . 48 ASN HA . 6888 1
316 . 1 1 57 57 ASN HB2 H 1 2.309 0.015 . 2 . . . . 48 ASN HB2 . 6888 1
317 . 1 1 57 57 ASN HB3 H 1 1.300 0.010 . 2 . . . . 48 ASN HB3 . 6888 1
318 . 1 1 57 57 ASN HD21 H 1 7.253 0.005 . 2 . . . . 48 ASN HD21 . 6888 1
319 . 1 1 57 57 ASN HD22 H 1 8.804 0.003 . 2 . . . . 48 ASN HD22 . 6888 1
320 . 1 1 57 57 ASN N N 15 115.761 0.100 . 1 . . . . 48 ASN N . 6888 1
321 . 1 1 57 57 ASN ND2 N 15 117.046 0.100 . 1 . . . . 48 ASN ND2 . 6888 1
322 . 1 1 58 58 PRO HD2 H 1 4.222 0.050 . 2 . . . . 49 PRO HD2 . 6888 1
323 . 1 1 59 59 ALA H H 1 6.912 0.012 . 1 . . . . 50 ALA H . 6888 1
324 . 1 1 59 59 ALA HA H 1 3.925 0.004 . 1 . . . . 50 ALA HA . 6888 1
325 . 1 1 59 59 ALA HB1 H 1 1.397 0.001 . 1 . . . . 50 ALA QB . 6888 1
326 . 1 1 59 59 ALA HB2 H 1 1.397 0.001 . 1 . . . . 50 ALA QB . 6888 1
327 . 1 1 59 59 ALA HB3 H 1 1.397 0.001 . 1 . . . . 50 ALA QB . 6888 1
328 . 1 1 59 59 ALA N N 15 118.941 0.100 . 1 . . . . 50 ALA N . 6888 1
329 . 1 1 60 60 ASP H H 1 6.396 0.003 . 1 . . . . 51 ASP H . 6888 1
330 . 1 1 60 60 ASP HA H 1 5.134 0.004 . 1 . . . . 51 ASP HA . 6888 1
331 . 1 1 60 60 ASP HB2 H 1 3.255 0.002 . 2 . . . . 51 ASP HB2 . 6888 1
332 . 1 1 60 60 ASP HB3 H 1 2.279 0.002 . 2 . . . . 51 ASP HB3 . 6888 1
333 . 1 1 60 60 ASP N N 15 110.860 0.100 . 1 . . . . 51 ASP N . 6888 1
334 . 1 1 61 61 PHE H H 1 7.136 0.002 . 1 . . . . 52 PHE H . 6888 1
335 . 1 1 61 61 PHE HA H 1 5.189 0.012 . 1 . . . . 52 PHE HA . 6888 1
336 . 1 1 61 61 PHE HB2 H 1 3.237 0.001 . 1 . . . . 52 PHE HB2 . 6888 1
337 . 1 1 61 61 PHE HB3 H 1 3.237 0.001 . 1 . . . . 52 PHE HB3 . 6888 1
338 . 1 1 61 61 PHE HD1 H 1 7.360 0.003 . 1 . . . . 52 PHE HD1 . 6888 1
339 . 1 1 61 61 PHE HD2 H 1 7.360 0.003 . 1 . . . . 52 PHE HD2 . 6888 1
340 . 1 1 61 61 PHE N N 15 117.015 0.004 . 1 . . . . 52 PHE N . 6888 1
341 . 1 1 62 62 SER H H 1 8.793 0.005 . 1 . . . . 53 SER H . 6888 1
342 . 1 1 62 62 SER HA H 1 4.927 0.005 . 1 . . . . 53 SER HA . 6888 1
343 . 1 1 62 62 SER HB2 H 1 3.911 0.050 . 2 . . . . 53 SER HB2 . 6888 1
344 . 1 1 62 62 SER HB3 H 1 3.706 0.007 . 2 . . . . 53 SER HB3 . 6888 1
345 . 1 1 62 62 SER N N 15 114.540 0.100 . 1 . . . . 53 SER N . 6888 1
346 . 1 1 63 63 SER H H 1 8.462 0.014 . 1 . . . . 54 SER H . 6888 1
347 . 1 1 63 63 SER HA H 1 5.568 0.010 . 1 . . . . 54 SER HA . 6888 1
348 . 1 1 63 63 SER HB2 H 1 3.810 0.003 . 1 . . . . 54 SER HB2 . 6888 1
349 . 1 1 63 63 SER HB3 H 1 3.810 0.003 . 1 . . . . 54 SER HB3 . 6888 1
350 . 1 1 63 63 SER N N 15 117.913 0.100 . 1 . . . . 54 SER N . 6888 1
351 . 1 1 64 64 VAL H H 1 9.211 0.002 . 1 . . . . 55 VAL H . 6888 1
352 . 1 1 64 64 VAL HA H 1 4.682 0.006 . 1 . . . . 55 VAL HA . 6888 1
353 . 1 1 64 64 VAL HB H 1 3.627 0.050 . 1 . . . . 55 VAL HB . 6888 1
354 . 1 1 64 64 VAL HG11 H 1 1.888 0.050 . 2 . . . . 55 VAL QG1 . 6888 1
355 . 1 1 64 64 VAL HG12 H 1 1.888 0.050 . 2 . . . . 55 VAL QG1 . 6888 1
356 . 1 1 64 64 VAL HG13 H 1 1.888 0.050 . 2 . . . . 55 VAL QG1 . 6888 1
357 . 1 1 64 64 VAL HG21 H 1 0.824 0.050 . 2 . . . . 55 VAL QG2 . 6888 1
358 . 1 1 64 64 VAL HG22 H 1 0.824 0.050 . 2 . . . . 55 VAL QG2 . 6888 1
359 . 1 1 64 64 VAL HG23 H 1 0.824 0.050 . 2 . . . . 55 VAL QG2 . 6888 1
360 . 1 1 64 64 VAL N N 15 120.644 0.100 . 1 . . . . 55 VAL N . 6888 1
361 . 1 1 65 65 THR H H 1 8.546 0.004 . 1 . . . . 56 THR H . 6888 1
362 . 1 1 65 65 THR HA H 1 4.796 0.050 . 1 . . . . 56 THR HA . 6888 1
363 . 1 1 65 65 THR HB H 1 3.878 0.004 . 1 . . . . 56 THR HB . 6888 1
364 . 1 1 65 65 THR HG21 H 1 1.029 0.009 . 1 . . . . 56 THR QG2 . 6888 1
365 . 1 1 65 65 THR HG22 H 1 1.029 0.009 . 1 . . . . 56 THR QG2 . 6888 1
366 . 1 1 65 65 THR HG23 H 1 1.029 0.009 . 1 . . . . 56 THR QG2 . 6888 1
367 . 1 1 65 65 THR N N 15 121.253 0.100 . 1 . . . . 56 THR N . 6888 1
368 . 1 1 66 66 ALA H H 1 8.504 0.007 . 1 . . . . 57 ALA H . 6888 1
369 . 1 1 66 66 ALA HA H 1 4.283 0.050 . 1 . . . . 57 ALA HA . 6888 1
370 . 1 1 66 66 ALA HB1 H 1 1.434 0.010 . 1 . . . . 57 ALA QB . 6888 1
371 . 1 1 66 66 ALA HB2 H 1 1.434 0.010 . 1 . . . . 57 ALA QB . 6888 1
372 . 1 1 66 66 ALA HB3 H 1 1.434 0.010 . 1 . . . . 57 ALA QB . 6888 1
373 . 1 1 66 66 ALA N N 15 129.478 0.001 . 1 . . . . 57 ALA N . 6888 1
374 . 1 1 67 67 ASP H H 1 8.908 0.007 . 1 . . . . 58 ASP H . 6888 1
375 . 1 1 67 67 ASP HA H 1 4.549 0.010 . 1 . . . . 58 ASP HA . 6888 1
376 . 1 1 67 67 ASP HB2 H 1 3.391 0.004 . 2 . . . . 58 ASP HB2 . 6888 1
377 . 1 1 67 67 ASP HB3 H 1 2.916 0.003 . 2 . . . . 58 ASP HB3 . 6888 1
378 . 1 1 67 67 ASP N N 15 123.567 0.100 . 1 . . . . 58 ASP N . 6888 1
379 . 1 1 68 68 ALA H H 1 8.236 0.002 . 1 . . . . 59 ALA H . 6888 1
380 . 1 1 68 68 ALA HA H 1 4.115 0.001 . 1 . . . . 59 ALA HA . 6888 1
381 . 1 1 68 68 ALA HB1 H 1 1.416 0.011 . 1 . . . . 59 ALA QB . 6888 1
382 . 1 1 68 68 ALA HB2 H 1 1.416 0.011 . 1 . . . . 59 ALA QB . 6888 1
383 . 1 1 68 68 ALA HB3 H 1 1.416 0.011 . 1 . . . . 59 ALA QB . 6888 1
384 . 1 1 68 68 ALA N N 15 118.170 0.100 . 1 . . . . 59 ALA N . 6888 1
385 . 1 1 69 69 ASN H H 1 8.280 0.006 . 1 . . . . 60 ASN H . 6888 1
386 . 1 1 69 69 ASN HA H 1 4.893 0.010 . 1 . . . . 60 ASN HA . 6888 1
387 . 1 1 69 69 ASN HB2 H 1 2.989 0.005 . 2 . . . . 60 ASN HB2 . 6888 1
388 . 1 1 69 69 ASN HB3 H 1 2.856 0.002 . 2 . . . . 60 ASN HB3 . 6888 1
389 . 1 1 69 69 ASN HD21 H 1 7.803 0.004 . 2 . . . . 60 ASN HD21 . 6888 1
390 . 1 1 69 69 ASN HD22 H 1 6.869 0.005 . 2 . . . . 60 ASN HD22 . 6888 1
391 . 1 1 69 69 ASN N N 15 113.801 0.100 . 1 . . . . 60 ASN N . 6888 1
392 . 1 1 69 69 ASN ND2 N 15 114.058 0.100 . 1 . . . . 60 ASN ND2 . 6888 1
393 . 1 1 70 70 GLY H H 1 8.548 0.006 . 1 . . . . 61 GLY H . 6888 1
394 . 1 1 70 70 GLY HA2 H 1 4.179 0.050 . 2 . . . . 61 GLY HA2 . 6888 1
395 . 1 1 70 70 GLY HA3 H 1 3.217 0.007 . 2 . . . . 61 GLY HA3 . 6888 1
396 . 1 1 70 70 GLY N N 15 110.106 0.100 . 1 . . . . 61 GLY N . 6888 1
397 . 1 1 71 71 SER H H 1 8.341 0.010 . 1 . . . . 62 SER H . 6888 1
398 . 1 1 71 71 SER HA H 1 5.282 0.002 . 1 . . . . 62 SER HA . 6888 1
399 . 1 1 71 71 SER HB2 H 1 3.921 0.006 . 1 . . . . 62 SER HB2 . 6888 1
400 . 1 1 71 71 SER HB3 H 1 3.921 0.006 . 1 . . . . 62 SER HB3 . 6888 1
401 . 1 1 71 71 SER N N 15 115.343 0.100 . 1 . . . . 62 SER N . 6888 1
402 . 1 1 72 72 ALA H H 1 8.189 0.011 . 1 . . . . 63 ALA H . 6888 1
403 . 1 1 72 72 ALA HA H 1 4.680 0.010 . 1 . . . . 63 ALA HA . 6888 1
404 . 1 1 72 72 ALA HB1 H 1 1.012 0.003 . 1 . . . . 63 ALA QB . 6888 1
405 . 1 1 72 72 ALA HB2 H 1 1.012 0.003 . 1 . . . . 63 ALA QB . 6888 1
406 . 1 1 72 72 ALA HB3 H 1 1.012 0.003 . 1 . . . . 63 ALA QB . 6888 1
407 . 1 1 72 72 ALA N N 15 122.732 0.100 . 1 . . . . 63 ALA N . 6888 1
408 . 1 1 73 73 SER H H 1 8.424 0.011 . 1 . . . . 64 SER H . 6888 1
409 . 1 1 73 73 SER HA H 1 5.431 0.009 . 1 . . . . 64 SER HA . 6888 1
410 . 1 1 73 73 SER HB2 H 1 4.689 0.050 . 2 . . . . 64 SER HB2 . 6888 1
411 . 1 1 73 73 SER HB3 H 1 3.809 0.050 . 2 . . . . 64 SER HB3 . 6888 1
412 . 1 1 73 73 SER N N 15 113.865 0.100 . 1 . . . . 64 SER N . 6888 1
413 . 1 1 74 74 THR H H 1 8.965 0.005 . 1 . . . . 65 THR H . 6888 1
414 . 1 1 74 74 THR HA H 1 4.705 0.014 . 1 . . . . 65 THR HA . 6888 1
415 . 1 1 74 74 THR HB H 1 4.154 0.006 . 1 . . . . 65 THR HB . 6888 1
416 . 1 1 74 74 THR HG21 H 1 0.877 0.015 . 1 . . . . 65 THR QG2 . 6888 1
417 . 1 1 74 74 THR HG22 H 1 0.877 0.015 . 1 . . . . 65 THR QG2 . 6888 1
418 . 1 1 74 74 THR HG23 H 1 0.877 0.015 . 1 . . . . 65 THR QG2 . 6888 1
419 . 1 1 74 74 THR N N 15 117.078 0.100 . 1 . . . . 65 THR N . 6888 1
420 . 1 1 75 75 SER H H 1 8.363 0.001 . 1 . . . . 66 SER H . 6888 1
421 . 1 1 75 75 SER HA H 1 5.547 0.006 . 1 . . . . 66 SER HA . 6888 1
422 . 1 1 75 75 SER HB2 H 1 3.706 0.007 . 1 . . . . 66 SER HB2 . 6888 1
423 . 1 1 75 75 SER HB3 H 1 3.706 0.007 . 1 . . . . 66 SER HB3 . 6888 1
424 . 1 1 75 75 SER N N 15 119.198 0.100 . 1 . . . . 66 SER N . 6888 1
425 . 1 1 76 76 LEU H H 1 8.886 0.011 . 1 . . . . 67 LEU H . 6888 1
426 . 1 1 76 76 LEU HA H 1 4.691 0.050 . 1 . . . . 67 LEU HA . 6888 1
427 . 1 1 76 76 LEU HB2 H 1 1.453 0.020 . 2 . . . . 67 LEU HB2 . 6888 1
428 . 1 1 76 76 LEU HB3 H 1 1.077 0.050 . 2 . . . . 67 LEU HB3 . 6888 1
429 . 1 1 76 76 LEU HG H 1 1.095 0.050 . 1 . . . . 67 LEU HG . 6888 1
430 . 1 1 76 76 LEU HD11 H 1 1.046 0.050 . 2 . . . . 67 LEU QD1 . 6888 1
431 . 1 1 76 76 LEU HD12 H 1 1.046 0.050 . 2 . . . . 67 LEU QD1 . 6888 1
432 . 1 1 76 76 LEU HD13 H 1 1.046 0.050 . 2 . . . . 67 LEU QD1 . 6888 1
433 . 1 1 76 76 LEU HD21 H 1 0.605 0.050 . 2 . . . . 67 LEU QD2 . 6888 1
434 . 1 1 76 76 LEU HD22 H 1 0.605 0.050 . 2 . . . . 67 LEU QD2 . 6888 1
435 . 1 1 76 76 LEU HD23 H 1 0.605 0.050 . 2 . . . . 67 LEU QD2 . 6888 1
436 . 1 1 76 76 LEU N N 15 124.595 0.100 . 1 . . . . 67 LEU N . 6888 1
437 . 1 1 77 77 THR H H 1 9.167 0.010 . 1 . . . . 68 THR H . 6888 1
438 . 1 1 77 77 THR HA H 1 4.681 0.007 . 1 . . . . 68 THR HA . 6888 1
439 . 1 1 77 77 THR HB H 1 3.997 0.013 . 1 . . . . 68 THR HB . 6888 1
440 . 1 1 77 77 THR HG21 H 1 1.006 0.005 . 1 . . . . 68 THR QG2 . 6888 1
441 . 1 1 77 77 THR HG22 H 1 1.006 0.005 . 1 . . . . 68 THR QG2 . 6888 1
442 . 1 1 77 77 THR HG23 H 1 1.006 0.005 . 1 . . . . 68 THR QG2 . 6888 1
443 . 1 1 77 77 THR N N 15 125.880 0.100 . 1 . . . . 68 THR N . 6888 1
444 . 1 1 78 78 VAL H H 1 8.660 0.050 . 1 . . . . 69 VAL H . 6888 1
445 . 1 1 78 78 VAL HA H 1 4.477 0.050 . 1 . . . . 69 VAL HA . 6888 1
446 . 1 1 78 78 VAL HB H 1 2.042 0.050 . 1 . . . . 69 VAL HB . 6888 1
447 . 1 1 78 78 VAL HG11 H 1 1.055 0.009 . 2 . . . . 69 VAL QG1 . 6888 1
448 . 1 1 78 78 VAL HG12 H 1 1.055 0.009 . 2 . . . . 69 VAL QG1 . 6888 1
449 . 1 1 78 78 VAL HG13 H 1 1.055 0.009 . 2 . . . . 69 VAL QG1 . 6888 1
450 . 1 1 78 78 VAL HG21 H 1 0.734 0.050 . 2 . . . . 69 VAL QG2 . 6888 1
451 . 1 1 78 78 VAL HG22 H 1 0.734 0.050 . 2 . . . . 69 VAL QG2 . 6888 1
452 . 1 1 78 78 VAL HG23 H 1 0.734 0.050 . 2 . . . . 69 VAL QG2 . 6888 1
453 . 1 1 78 78 VAL N N 15 118.941 0.002 . 1 . . . . 69 VAL N . 6888 1
454 . 1 1 79 79 ARG H H 1 8.628 0.003 . 1 . . . . 70 ARG H . 6888 1
455 . 1 1 79 79 ARG HA H 1 5.056 0.006 . 1 . . . . 70 ARG HA . 6888 1
456 . 1 1 79 79 ARG HB2 H 1 2.246 0.012 . 2 . . . . 70 ARG HB2 . 6888 1
457 . 1 1 79 79 ARG HB3 H 1 1.561 0.006 . 2 . . . . 70 ARG HB3 . 6888 1
458 . 1 1 79 79 ARG HD2 H 1 3.230 0.008 . 2 . . . . 70 ARG HD2 . 6888 1
459 . 1 1 79 79 ARG HD3 H 1 3.097 0.017 . 2 . . . . 70 ARG HD3 . 6888 1
460 . 1 1 79 79 ARG HE H 1 8.133 0.005 . 1 . . . . 70 ARG HE . 6888 1
461 . 1 1 79 79 ARG N N 15 117.913 0.100 . 1 . . . . 70 ARG N . 6888 1
462 . 1 1 79 79 ARG NE N 15 119.584 0.100 . 1 . . . . 70 ARG NE . 6888 1
463 . 1 1 80 80 ARG H H 1 9.460 0.003 . 1 . . . . 71 ARG H . 6888 1
464 . 1 1 80 80 ARG HA H 1 2.242 0.005 . 1 . . . . 71 ARG HA . 6888 1
465 . 1 1 80 80 ARG HB2 H 1 1.518 0.009 . 2 . . . . 71 ARG HB2 . 6888 1
466 . 1 1 80 80 ARG HB3 H 1 1.077 0.004 . 2 . . . . 71 ARG HB3 . 6888 1
467 . 1 1 80 80 ARG HG2 H 1 0.849 0.013 . 1 . . . . 71 ARG HG2 . 6888 1
468 . 1 1 80 80 ARG HG3 H 1 0.849 0.013 . 1 . . . . 71 ARG HG3 . 6888 1
469 . 1 1 80 80 ARG HE H 1 9.068 0.004 . 1 . . . . 71 ARG HE . 6888 1
470 . 1 1 80 80 ARG N N 15 126.555 0.100 . 1 . . . . 71 ARG N . 6888 1
471 . 1 1 80 80 ARG NE N 15 122.732 0.100 . 1 . . . . 71 ARG NE . 6888 1
472 . 1 1 81 81 SER H H 1 7.399 0.002 . 1 . . . . 72 SER H . 6888 1
473 . 1 1 81 81 SER HA H 1 5.374 0.006 . 1 . . . . 72 SER HA . 6888 1
474 . 1 1 81 81 SER HB2 H 1 3.546 0.010 . 1 . . . . 72 SER HB2 . 6888 1
475 . 1 1 81 81 SER HB3 H 1 3.546 0.010 . 1 . . . . 72 SER HB3 . 6888 1
476 . 1 1 81 81 SER N N 15 108.660 0.100 . 1 . . . . 72 SER N . 6888 1
477 . 1 1 82 82 PHE H H 1 8.446 0.003 . 1 . . . . 73 PHE H . 6888 1
478 . 1 1 82 82 PHE HA H 1 4.970 0.001 . 1 . . . . 73 PHE HA . 6888 1
479 . 1 1 82 82 PHE HB2 H 1 2.884 0.006 . 1 . . . . 73 PHE HB2 . 6888 1
480 . 1 1 82 82 PHE HB3 H 1 2.884 0.006 . 1 . . . . 73 PHE HB3 . 6888 1
481 . 1 1 82 82 PHE HD1 H 1 6.805 0.050 . 1 . . . . 73 PHE HD1 . 6888 1
482 . 1 1 82 82 PHE HD2 H 1 6.805 0.050 . 1 . . . . 73 PHE HD2 . 6888 1
483 . 1 1 82 82 PHE HE1 H 1 6.948 0.050 . 1 . . . . 73 PHE HE1 . 6888 1
484 . 1 1 82 82 PHE HE2 H 1 6.948 0.050 . 1 . . . . 73 PHE HE2 . 6888 1
485 . 1 1 82 82 PHE N N 15 116.500 0.100 . 1 . . . . 73 PHE N . 6888 1
486 . 1 1 83 83 GLU H H 1 8.917 0.001 . 1 . . . . 74 GLU H . 6888 1
487 . 1 1 83 83 GLU HA H 1 4.300 0.017 . 1 . . . . 74 GLU HA . 6888 1
488 . 1 1 83 83 GLU HB2 H 1 2.113 0.012 . 1 . . . . 74 GLU HB2 . 6888 1
489 . 1 1 83 83 GLU HB3 H 1 2.113 0.012 . 1 . . . . 74 GLU HB3 . 6888 1
490 . 1 1 83 83 GLU HG2 H 1 2.078 0.050 . 1 . . . . 74 GLU HG2 . 6888 1
491 . 1 1 83 83 GLU HG3 H 1 2.078 0.050 . 1 . . . . 74 GLU HG3 . 6888 1
492 . 1 1 83 83 GLU N N 15 122.025 0.001 . 1 . . . . 74 GLU N . 6888 1
493 . 1 1 84 84 GLY H H 1 9.218 0.003 . 1 . . . . 75 GLY H . 6888 1
494 . 1 1 84 84 GLY HA2 H 1 4.944 0.003 . 2 . . . . 75 GLY HA2 . 6888 1
495 . 1 1 84 84 GLY HA3 H 1 3.380 0.001 . 2 . . . . 75 GLY HA3 . 6888 1
496 . 1 1 84 84 GLY N N 15 116.113 0.100 . 1 . . . . 75 GLY N . 6888 1
497 . 1 1 85 85 PHE H H 1 9.436 0.004 . 1 . . . . 76 PHE H . 6888 1
498 . 1 1 85 85 PHE HA H 1 5.391 0.006 . 1 . . . . 76 PHE HA . 6888 1
499 . 1 1 85 85 PHE HB2 H 1 3.089 0.002 . 2 . . . . 76 PHE HB2 . 6888 1
500 . 1 1 85 85 PHE HB3 H 1 2.708 0.005 . 2 . . . . 76 PHE HB3 . 6888 1
501 . 1 1 85 85 PHE HD1 H 1 7.351 0.050 . 1 . . . . 76 PHE HD1 . 6888 1
502 . 1 1 85 85 PHE HD2 H 1 7.351 0.050 . 1 . . . . 76 PHE HD2 . 6888 1
503 . 1 1 85 85 PHE HE1 H 1 7.351 0.050 . 1 . . . . 76 PHE HE1 . 6888 1
504 . 1 1 85 85 PHE HE2 H 1 7.351 0.050 . 1 . . . . 76 PHE HE2 . 6888 1
505 . 1 1 85 85 PHE N N 15 124.338 0.100 . 1 . . . . 76 PHE N . 6888 1
506 . 1 1 86 86 LEU H H 1 9.398 0.003 . 1 . . . . 77 LEU H . 6888 1
507 . 1 1 86 86 LEU HA H 1 5.014 0.003 . 1 . . . . 77 LEU HA . 6888 1
508 . 1 1 86 86 LEU HB2 H 1 2.198 0.050 . 2 . . . . 77 LEU HB2 . 6888 1
509 . 1 1 86 86 LEU HB3 H 1 1.881 0.005 . 2 . . . . 77 LEU HB3 . 6888 1
510 . 1 1 86 86 LEU HG H 1 1.807 0.050 . 1 . . . . 77 LEU HG . 6888 1
511 . 1 1 86 86 LEU HD11 H 1 1.080 0.050 . 2 . . . . 77 LEU QD1 . 6888 1
512 . 1 1 86 86 LEU HD12 H 1 1.080 0.050 . 2 . . . . 77 LEU QD1 . 6888 1
513 . 1 1 86 86 LEU HD13 H 1 1.080 0.050 . 2 . . . . 77 LEU QD1 . 6888 1
514 . 1 1 86 86 LEU HD21 H 1 0.818 0.050 . 2 . . . . 77 LEU QD2 . 6888 1
515 . 1 1 86 86 LEU HD22 H 1 0.818 0.050 . 2 . . . . 77 LEU QD2 . 6888 1
516 . 1 1 86 86 LEU HD23 H 1 0.818 0.050 . 2 . . . . 77 LEU QD2 . 6888 1
517 . 1 1 86 86 LEU N N 15 122.025 0.100 . 1 . . . . 77 LEU N . 6888 1
518 . 1 1 87 87 PHE H H 1 8.089 0.002 . 1 . . . . 78 PHE H . 6888 1
519 . 1 1 87 87 PHE HA H 1 4.124 0.003 . 1 . . . . 78 PHE HA . 6888 1
520 . 1 1 88 88 ASP H H 1 7.350 0.002 . 1 . . . . 79 ASP H . 6888 1
521 . 1 1 88 88 ASP HA H 1 4.321 0.050 . 1 . . . . 79 ASP HA . 6888 1
522 . 1 1 88 88 ASP HB2 H 1 2.979 0.006 . 2 . . . . 79 ASP HB2 . 6888 1
523 . 1 1 88 88 ASP HB3 H 1 2.215 0.004 . 2 . . . . 79 ASP HB3 . 6888 1
524 . 1 1 88 88 ASP N N 15 116.114 0.100 . 1 . . . . 79 ASP N . 6888 1
525 . 1 1 89 89 GLY H H 1 8.295 0.002 . 1 . . . . 80 GLY H . 6888 1
526 . 1 1 89 89 GLY HA2 H 1 4.358 0.050 . 2 . . . . 80 GLY HA2 . 6888 1
527 . 1 1 89 89 GLY HA3 H 1 3.721 0.006 . 2 . . . . 80 GLY HA3 . 6888 1
528 . 1 1 89 89 GLY N N 15 108.403 0.100 . 1 . . . . 80 GLY N . 6888 1
529 . 1 1 90 90 THR H H 1 8.092 0.001 . 1 . . . . 81 THR H . 6888 1
530 . 1 1 90 90 THR HA H 1 4.125 0.050 . 1 . . . . 81 THR HA . 6888 1
531 . 1 1 90 90 THR HG21 H 1 1.203 0.050 . 1 . . . . 81 THR QG2 . 6888 1
532 . 1 1 90 90 THR HG22 H 1 1.203 0.050 . 1 . . . . 81 THR QG2 . 6888 1
533 . 1 1 90 90 THR HG23 H 1 1.203 0.050 . 1 . . . . 81 THR QG2 . 6888 1
534 . 1 1 90 90 THR N N 15 117.141 0.100 . 1 . . . . 81 THR N . 6888 1
535 . 1 1 92 92 TRP H H 1 9.013 0.004 . 1 . . . . 83 TRP H . 6888 1
536 . 1 1 92 92 TRP HA H 1 4.336 0.003 . 1 . . . . 83 TRP HA . 6888 1
537 . 1 1 92 92 TRP HB2 H 1 2.893 0.001 . 2 . . . . 83 TRP HB2 . 6888 1
538 . 1 1 92 92 TRP HB3 H 1 2.788 0.010 . 2 . . . . 83 TRP HB3 . 6888 1
539 . 1 1 92 92 TRP HD1 H 1 6.918 0.015 . 1 . . . . 83 TRP HD1 . 6888 1
540 . 1 1 92 92 TRP HE1 H 1 10.325 0.050 . 1 . . . . 83 TRP HE1 . 6888 1
541 . 1 1 92 92 TRP HZ2 H 1 7.425 0.050 . 1 . . . . 83 TRP HZ2 . 6888 1
542 . 1 1 92 92 TRP N N 15 129.479 0.100 . 1 . . . . 83 TRP N . 6888 1
543 . 1 1 92 92 TRP NE1 N 15 130.764 0.100 . 1 . . . . 83 TRP NE1 . 6888 1
544 . 1 1 93 93 GLY H H 1 7.183 0.008 . 1 . . . . 84 GLY H . 6888 1
545 . 1 1 93 93 GLY HA2 H 1 3.923 0.007 . 2 . . . . 84 GLY HA2 . 6888 1
546 . 1 1 93 93 GLY HA3 H 1 3.537 0.012 . 2 . . . . 84 GLY HA3 . 6888 1
547 . 1 1 93 93 GLY N N 15 102.748 0.100 . 1 . . . . 84 GLY N . 6888 1
548 . 1 1 94 94 THR H H 1 8.444 0.003 . 1 . . . . 85 THR H . 6888 1
549 . 1 1 94 94 THR HA H 1 4.268 0.002 . 1 . . . . 85 THR HA . 6888 1
550 . 1 1 94 94 THR HB H 1 3.782 0.002 . 1 . . . . 85 THR HB . 6888 1
551 . 1 1 94 94 THR HG21 H 1 0.925 0.011 . 1 . . . . 85 THR QG2 . 6888 1
552 . 1 1 94 94 THR HG22 H 1 0.925 0.011 . 1 . . . . 85 THR QG2 . 6888 1
553 . 1 1 94 94 THR HG23 H 1 0.925 0.011 . 1 . . . . 85 THR QG2 . 6888 1
554 . 1 1 94 94 THR N N 15 119.197 0.100 . 1 . . . . 85 THR N . 6888 1
555 . 1 1 95 95 VAL H H 1 9.049 0.001 . 1 . . . . 86 VAL H . 6888 1
556 . 1 1 95 95 VAL HA H 1 3.742 0.005 . 1 . . . . 86 VAL HA . 6888 1
557 . 1 1 95 95 VAL HB H 1 0.216 0.006 . 1 . . . . 86 VAL HB . 6888 1
558 . 1 1 95 95 VAL HG11 H 1 0.484 0.006 . 2 . . . . 86 VAL QG1 . 6888 1
559 . 1 1 95 95 VAL HG12 H 1 0.484 0.006 . 2 . . . . 86 VAL QG1 . 6888 1
560 . 1 1 95 95 VAL HG13 H 1 0.484 0.006 . 2 . . . . 86 VAL QG1 . 6888 1
561 . 1 1 95 95 VAL HG21 H 1 0.186 0.012 . 2 . . . . 86 VAL QG2 . 6888 1
562 . 1 1 95 95 VAL HG22 H 1 0.186 0.012 . 2 . . . . 86 VAL QG2 . 6888 1
563 . 1 1 95 95 VAL HG23 H 1 0.186 0.012 . 2 . . . . 86 VAL QG2 . 6888 1
564 . 1 1 95 95 VAL N N 15 129.992 0.100 . 1 . . . . 86 VAL N . 6888 1
565 . 1 1 96 96 ASP H H 1 8.365 0.050 . 1 . . . . 87 ASP H . 6888 1
566 . 1 1 96 96 ASP HA H 1 4.805 0.002 . 1 . . . . 87 ASP HA . 6888 1
567 . 1 1 96 96 ASP HB2 H 1 2.995 0.007 . 2 . . . . 87 ASP HB2 . 6888 1
568 . 1 1 96 96 ASP HB3 H 1 2.321 0.002 . 2 . . . . 87 ASP HB3 . 6888 1
569 . 1 1 96 96 ASP N N 15 125.881 0.100 . 1 . . . . 87 ASP N . 6888 1
570 . 1 1 97 97 CYS H H 1 9.175 0.050 . 1 . . . . 88 CYS H . 6888 1
571 . 1 1 97 97 CYS HA H 1 4.992 0.009 . 1 . . . . 88 CYS HA . 6888 1
572 . 1 1 97 97 CYS HB2 H 1 3.876 0.005 . 2 . . . . 88 CYS HB2 . 6888 1
573 . 1 1 97 97 CYS HB3 H 1 2.771 0.006 . 2 . . . . 88 CYS HB3 . 6888 1
574 . 1 1 97 97 CYS N N 15 122.538 0.100 . 1 . . . . 88 CYS N . 6888 1
575 . 1 1 98 98 THR H H 1 9.243 0.003 . 1 . . . . 89 THR H . 6888 1
576 . 1 1 98 98 THR HA H 1 4.524 0.050 . 1 . . . . 89 THR HA . 6888 1
577 . 1 1 98 98 THR HB H 1 4.300 0.006 . 1 . . . . 89 THR HB . 6888 1
578 . 1 1 98 98 THR HG21 H 1 1.214 0.010 . 1 . . . . 89 THR QG2 . 6888 1
579 . 1 1 98 98 THR HG22 H 1 1.214 0.010 . 1 . . . . 89 THR QG2 . 6888 1
580 . 1 1 98 98 THR HG23 H 1 1.214 0.010 . 1 . . . . 89 THR QG2 . 6888 1
581 . 1 1 98 98 THR N N 15 114.314 0.100 . 1 . . . . 89 THR N . 6888 1
582 . 1 1 99 99 THR H H 1 7.527 0.006 . 1 . . . . 90 THR H . 6888 1
583 . 1 1 99 99 THR HA H 1 4.522 0.050 . 1 . . . . 90 THR HA . 6888 1
584 . 1 1 99 99 THR HB H 1 4.286 0.050 . 1 . . . . 90 THR HB . 6888 1
585 . 1 1 99 99 THR HG21 H 1 1.199 0.050 . 1 . . . . 90 THR QG2 . 6888 1
586 . 1 1 99 99 THR HG22 H 1 1.199 0.050 . 1 . . . . 90 THR QG2 . 6888 1
587 . 1 1 99 99 THR HG23 H 1 1.199 0.050 . 1 . . . . 90 THR QG2 . 6888 1
588 . 1 1 99 99 THR N N 15 112.148 0.001 . 1 . . . . 90 THR N . 6888 1
589 . 1 1 100 100 ALA H H 1 8.391 0.004 . 1 . . . . 91 ALA H . 6888 1
590 . 1 1 100 100 ALA HA H 1 4.535 0.014 . 1 . . . . 91 ALA HA . 6888 1
591 . 1 1 100 100 ALA HB1 H 1 1.235 0.002 . 1 . . . . 91 ALA QB . 6888 1
592 . 1 1 100 100 ALA HB2 H 1 1.235 0.002 . 1 . . . . 91 ALA QB . 6888 1
593 . 1 1 100 100 ALA HB3 H 1 1.235 0.002 . 1 . . . . 91 ALA QB . 6888 1
594 . 1 1 100 100 ALA N N 15 126.651 0.100 . 1 . . . . 91 ALA N . 6888 1
595 . 1 1 101 101 ALA H H 1 8.291 0.004 . 1 . . . . 92 ALA H . 6888 1
596 . 1 1 101 101 ALA HA H 1 4.718 0.004 . 1 . . . . 92 ALA HA . 6888 1
597 . 1 1 101 101 ALA HB1 H 1 1.513 0.004 . 1 . . . . 92 ALA QB . 6888 1
598 . 1 1 101 101 ALA HB2 H 1 1.513 0.004 . 1 . . . . 92 ALA QB . 6888 1
599 . 1 1 101 101 ALA HB3 H 1 1.513 0.004 . 1 . . . . 92 ALA QB . 6888 1
600 . 1 1 101 101 ALA N N 15 122.539 0.001 . 1 . . . . 92 ALA N . 6888 1
601 . 1 1 102 102 CYS H H 1 9.352 0.004 . 1 . . . . 93 CYS H . 6888 1
602 . 1 1 102 102 CYS HA H 1 5.200 0.002 . 1 . . . . 93 CYS HA . 6888 1
603 . 1 1 102 102 CYS HB2 H 1 3.902 0.003 . 2 . . . . 93 CYS HB2 . 6888 1
604 . 1 1 102 102 CYS HB3 H 1 3.261 0.007 . 2 . . . . 93 CYS HB3 . 6888 1
605 . 1 1 102 102 CYS N N 15 122.538 0.100 . 1 . . . . 93 CYS N . 6888 1
606 . 1 1 103 103 GLN H H 1 9.374 0.001 . 1 . . . . 94 GLN H . 6888 1
607 . 1 1 103 103 GLN HA H 1 5.450 0.006 . 1 . . . . 94 GLN HA . 6888 1
608 . 1 1 103 103 GLN HB2 H 1 1.963 0.014 . 1 . . . . 94 GLN HB2 . 6888 1
609 . 1 1 103 103 GLN HB3 H 1 1.963 0.014 . 1 . . . . 94 GLN HB3 . 6888 1
610 . 1 1 103 103 GLN HG2 H 1 2.055 0.050 . 2 . . . . 94 GLN HG2 . 6888 1
611 . 1 1 103 103 GLN HG3 H 1 1.499 0.050 . 2 . . . . 94 GLN HG3 . 6888 1
612 . 1 1 103 103 GLN HE21 H 1 7.196 0.009 . 2 . . . . 94 GLN HE21 . 6888 1
613 . 1 1 103 103 GLN HE22 H 1 6.743 0.009 . 2 . . . . 94 GLN HE22 . 6888 1
614 . 1 1 103 103 GLN N N 15 117.399 0.100 . 1 . . . . 94 GLN N . 6888 1
615 . 1 1 103 103 GLN NE2 N 15 109.367 0.100 . 1 . . . . 94 GLN NE2 . 6888 1
616 . 1 1 104 104 VAL H H 1 8.910 0.014 . 1 . . . . 95 VAL H . 6888 1
617 . 1 1 104 104 VAL HA H 1 4.834 0.016 . 1 . . . . 95 VAL HA . 6888 1
618 . 1 1 104 104 VAL HB H 1 1.655 0.004 . 1 . . . . 95 VAL HB . 6888 1
619 . 1 1 104 104 VAL HG11 H 1 0.749 0.050 . 2 . . . . 95 VAL QG1 . 6888 1
620 . 1 1 104 104 VAL HG12 H 1 0.749 0.050 . 2 . . . . 95 VAL QG1 . 6888 1
621 . 1 1 104 104 VAL HG13 H 1 0.749 0.050 . 2 . . . . 95 VAL QG1 . 6888 1
622 . 1 1 104 104 VAL HG21 H 1 0.645 0.050 . 2 . . . . 95 VAL QG2 . 6888 1
623 . 1 1 104 104 VAL HG22 H 1 0.645 0.050 . 2 . . . . 95 VAL QG2 . 6888 1
624 . 1 1 104 104 VAL HG23 H 1 0.645 0.050 . 2 . . . . 95 VAL QG2 . 6888 1
625 . 1 1 104 104 VAL N N 15 120.996 0.100 . 1 . . . . 95 VAL N . 6888 1
626 . 1 1 105 105 GLY H H 1 8.332 0.007 . 1 . . . . 96 GLY H . 6888 1
627 . 1 1 105 105 GLY HA2 H 1 4.162 0.006 . 2 . . . . 96 GLY HA2 . 6888 1
628 . 1 1 105 105 GLY HA3 H 1 3.727 0.003 . 2 . . . . 96 GLY HA3 . 6888 1
629 . 1 1 105 105 GLY N N 15 111.744 0.100 . 1 . . . . 96 GLY N . 6888 1
630 . 1 1 106 106 LEU H H 1 8.020 0.001 . 1 . . . . 97 LEU H . 6888 1
631 . 1 1 106 106 LEU HA H 1 5.588 0.003 . 1 . . . . 97 LEU HA . 6888 1
632 . 1 1 106 106 LEU HB2 H 1 1.410 0.002 . 2 . . . . 97 LEU HB2 . 6888 1
633 . 1 1 106 106 LEU HB3 H 1 1.109 0.003 . 2 . . . . 97 LEU HB3 . 6888 1
634 . 1 1 106 106 LEU HG H 1 1.402 0.050 . 1 . . . . 97 LEU HG . 6888 1
635 . 1 1 106 106 LEU HD11 H 1 0.661 0.012 . 2 . . . . 97 LEU QD1 . 6888 1
636 . 1 1 106 106 LEU HD12 H 1 0.661 0.012 . 2 . . . . 97 LEU QD1 . 6888 1
637 . 1 1 106 106 LEU HD13 H 1 0.661 0.012 . 2 . . . . 97 LEU QD1 . 6888 1
638 . 1 1 106 106 LEU HD21 H 1 0.450 0.050 . 2 . . . . 97 LEU QD2 . 6888 1
639 . 1 1 106 106 LEU HD22 H 1 0.450 0.050 . 2 . . . . 97 LEU QD2 . 6888 1
640 . 1 1 106 106 LEU HD23 H 1 0.450 0.050 . 2 . . . . 97 LEU QD2 . 6888 1
641 . 1 1 106 106 LEU N N 15 117.271 0.001 . 1 . . . . 97 LEU N . 6888 1
642 . 1 1 107 107 SER H H 1 8.651 0.001 . 1 . . . . 98 SER H . 6888 1
643 . 1 1 107 107 SER HA H 1 5.108 0.001 . 1 . . . . 98 SER HA . 6888 1
644 . 1 1 107 107 SER HB2 H 1 3.460 0.013 . 1 . . . . 98 SER HB2 . 6888 1
645 . 1 1 107 107 SER HB3 H 1 3.460 0.013 . 1 . . . . 98 SER HB3 . 6888 1
646 . 1 1 107 107 SER N N 15 113.029 0.100 . 1 . . . . 98 SER N . 6888 1
647 . 1 1 108 108 ASP H H 1 9.042 0.003 . 1 . . . . 99 ASP H . 6888 1
648 . 1 1 108 108 ASP HA H 1 4.746 0.010 . 1 . . . . 99 ASP HA . 6888 1
649 . 1 1 108 108 ASP HB2 H 1 2.888 0.005 . 2 . . . . 99 ASP HB2 . 6888 1
650 . 1 1 108 108 ASP HB3 H 1 2.168 0.007 . 2 . . . . 99 ASP HB3 . 6888 1
651 . 1 1 108 108 ASP N N 15 127.166 0.002 . 1 . . . . 99 ASP N . 6888 1
652 . 1 1 109 109 ALA H H 1 8.567 0.008 . 1 . . . . 100 ALA H . 6888 1
653 . 1 1 109 109 ALA HA H 1 4.085 0.012 . 1 . . . . 100 ALA HA . 6888 1
654 . 1 1 109 109 ALA HB1 H 1 1.389 0.015 . 1 . . . . 100 ALA QB . 6888 1
655 . 1 1 109 109 ALA HB2 H 1 1.389 0.015 . 1 . . . . 100 ALA QB . 6888 1
656 . 1 1 109 109 ALA HB3 H 1 1.389 0.015 . 1 . . . . 100 ALA QB . 6888 1
657 . 1 1 109 109 ALA N N 15 120.226 0.100 . 1 . . . . 100 ALA N . 6888 1
658 . 1 1 110 110 ALA H H 1 7.995 0.005 . 1 . . . . 101 ALA H . 6888 1
659 . 1 1 110 110 ALA HA H 1 4.451 0.017 . 1 . . . . 101 ALA HA . 6888 1
660 . 1 1 110 110 ALA HB1 H 1 1.402 0.005 . 1 . . . . 101 ALA QB . 6888 1
661 . 1 1 110 110 ALA HB2 H 1 1.402 0.005 . 1 . . . . 101 ALA QB . 6888 1
662 . 1 1 110 110 ALA HB3 H 1 1.402 0.005 . 1 . . . . 101 ALA QB . 6888 1
663 . 1 1 110 110 ALA N N 15 119.327 0.100 . 1 . . . . 101 ALA N . 6888 1
664 . 1 1 111 111 GLY H H 1 8.033 0.001 . 1 . . . . 102 GLY H . 6888 1
665 . 1 1 111 111 GLY HA2 H 1 4.035 0.013 . 2 . . . . 102 GLY HA2 . 6888 1
666 . 1 1 111 111 GLY HA3 H 1 3.677 0.004 . 2 . . . . 102 GLY HA3 . 6888 1
667 . 1 1 111 111 GLY N N 15 107.890 0.100 . 1 . . . . 102 GLY N . 6888 1
668 . 1 1 112 112 ASN H H 1 8.796 0.004 . 1 . . . . 103 ASN H . 6888 1
669 . 1 1 112 112 ASN HA H 1 5.023 0.050 . 1 . . . . 103 ASN HA . 6888 1
670 . 1 1 112 112 ASN HB2 H 1 3.129 0.007 . 2 . . . . 103 ASN HB2 . 6888 1
671 . 1 1 112 112 ASN HB3 H 1 2.695 0.008 . 2 . . . . 103 ASN HB3 . 6888 1
672 . 1 1 112 112 ASN HD21 H 1 8.258 0.001 . 2 . . . . 103 ASN HD21 . 6888 1
673 . 1 1 112 112 ASN HD22 H 1 6.957 0.004 . 2 . . . . 103 ASN HD22 . 6888 1
674 . 1 1 112 112 ASN N N 15 120.130 0.100 . 1 . . . . 103 ASN N . 6888 1
675 . 1 1 112 112 ASN ND2 N 15 117.141 0.100 . 1 . . . . 103 ASN ND2 . 6888 1
676 . 1 1 113 113 GLY H H 1 8.012 0.003 . 1 . . . . 104 GLY H . 6888 1
677 . 1 1 113 113 GLY HA2 H 1 4.694 0.007 . 2 . . . . 104 GLY HA2 . 6888 1
678 . 1 1 113 113 GLY HA3 H 1 3.891 0.050 . 2 . . . . 104 GLY HA3 . 6888 1
679 . 1 1 113 113 GLY N N 15 106.733 0.100 . 1 . . . . 104 GLY N . 6888 1
680 . 1 1 115 115 GLU H H 1 8.609 0.001 . 1 . . . . 106 GLU H . 6888 1
681 . 1 1 115 115 GLU HA H 1 4.207 0.003 . 1 . . . . 106 GLU HA . 6888 1
682 . 1 1 115 115 GLU HB2 H 1 2.008 0.014 . 1 . . . . 106 GLU HB2 . 6888 1
683 . 1 1 115 115 GLU HB3 H 1 2.008 0.014 . 1 . . . . 106 GLU HB3 . 6888 1
684 . 1 1 115 115 GLU HG2 H 1 2.524 0.007 . 1 . . . . 106 GLU HG2 . 6888 1
685 . 1 1 115 115 GLU HG3 H 1 2.524 0.007 . 1 . . . . 106 GLU HG3 . 6888 1
686 . 1 1 115 115 GLU N N 15 121.767 0.100 . 1 . . . . 106 GLU N . 6888 1
687 . 1 1 116 116 GLY H H 1 8.651 0.002 . 1 . . . . 107 GLY H . 6888 1
688 . 1 1 116 116 GLY HA2 H 1 4.088 0.002 . 2 . . . . 107 GLY HA2 . 6888 1
689 . 1 1 116 116 GLY HA3 H 1 3.539 0.050 . 2 . . . . 107 GLY HA3 . 6888 1
690 . 1 1 116 116 GLY N N 15 109.946 0.100 . 1 . . . . 107 GLY N . 6888 1
691 . 1 1 117 117 VAL H H 1 8.728 0.001 . 1 . . . . 108 VAL H . 6888 1
692 . 1 1 117 117 VAL HA H 1 4.086 0.050 . 1 . . . . 108 VAL HA . 6888 1
693 . 1 1 117 117 VAL HB H 1 1.897 0.050 . 1 . . . . 108 VAL HB . 6888 1
694 . 1 1 117 117 VAL HG11 H 1 1.036 0.050 . 2 . . . . 108 VAL QG1 . 6888 1
695 . 1 1 117 117 VAL HG12 H 1 1.036 0.050 . 2 . . . . 108 VAL QG1 . 6888 1
696 . 1 1 117 117 VAL HG13 H 1 1.036 0.050 . 2 . . . . 108 VAL QG1 . 6888 1
697 . 1 1 117 117 VAL HG21 H 1 0.861 0.050 . 2 . . . . 108 VAL QG2 . 6888 1
698 . 1 1 117 117 VAL HG22 H 1 0.861 0.050 . 2 . . . . 108 VAL QG2 . 6888 1
699 . 1 1 117 117 VAL HG23 H 1 0.861 0.050 . 2 . . . . 108 VAL QG2 . 6888 1
700 . 1 1 117 117 VAL N N 15 122.024 0.100 . 1 . . . . 108 VAL N . 6888 1
701 . 1 1 118 118 ALA H H 1 8.541 0.004 . 1 . . . . 109 ALA H . 6888 1
702 . 1 1 118 118 ALA HA H 1 4.474 0.005 . 1 . . . . 109 ALA HA . 6888 1
703 . 1 1 118 118 ALA HB1 H 1 1.508 0.050 . 1 . . . . 109 ALA QB . 6888 1
704 . 1 1 118 118 ALA HB2 H 1 1.508 0.050 . 1 . . . . 109 ALA QB . 6888 1
705 . 1 1 118 118 ALA HB3 H 1 1.508 0.050 . 1 . . . . 109 ALA QB . 6888 1
706 . 1 1 118 118 ALA N N 15 130.506 0.100 . 1 . . . . 109 ALA N . 6888 1
707 . 1 1 119 119 ILE H H 1 7.741 0.005 . 1 . . . . 110 ILE H . 6888 1
708 . 1 1 119 119 ILE HA H 1 5.431 0.009 . 1 . . . . 110 ILE HA . 6888 1
709 . 1 1 119 119 ILE HB H 1 1.484 0.050 . 1 . . . . 110 ILE HB . 6888 1
710 . 1 1 119 119 ILE HG12 H 1 1.415 0.050 . 2 . . . . 110 ILE HG12 . 6888 1
711 . 1 1 119 119 ILE HG13 H 1 0.760 0.050 . 2 . . . . 110 ILE HG13 . 6888 1
712 . 1 1 119 119 ILE HG21 H 1 0.813 0.050 . 1 . . . . 110 ILE QG2 . 6888 1
713 . 1 1 119 119 ILE HG22 H 1 0.813 0.050 . 1 . . . . 110 ILE QG2 . 6888 1
714 . 1 1 119 119 ILE HG23 H 1 0.813 0.050 . 1 . . . . 110 ILE QG2 . 6888 1
715 . 1 1 119 119 ILE HD11 H 1 0.718 0.050 . 1 . . . . 110 ILE QD1 . 6888 1
716 . 1 1 119 119 ILE HD12 H 1 0.718 0.050 . 1 . . . . 110 ILE QD1 . 6888 1
717 . 1 1 119 119 ILE HD13 H 1 0.718 0.050 . 1 . . . . 110 ILE QD1 . 6888 1
718 . 1 1 119 119 ILE N N 15 112.515 0.100 . 1 . . . . 110 ILE N . 6888 1
719 . 1 1 120 120 SER H H 1 8.064 0.005 . 1 . . . . 111 SER H . 6888 1
720 . 1 1 120 120 SER HA H 1 5.059 0.006 . 1 . . . . 111 SER HA . 6888 1
721 . 1 1 120 120 SER HB2 H 1 3.905 0.008 . 1 . . . . 111 SER HB2 . 6888 1
722 . 1 1 120 120 SER HB3 H 1 3.905 0.008 . 1 . . . . 111 SER HB3 . 6888 1
723 . 1 1 120 120 SER N N 15 113.961 0.100 . 1 . . . . 111 SER N . 6888 1
724 . 1 1 121 121 PHE H H 1 9.065 0.004 . 1 . . . . 112 PHE H . 6888 1
725 . 1 1 121 121 PHE HA H 1 4.688 0.010 . 1 . . . . 112 PHE HA . 6888 1
726 . 1 1 121 121 PHE HB2 H 1 3.196 0.003 . 2 . . . . 112 PHE HB2 . 6888 1
727 . 1 1 121 121 PHE HB3 H 1 2.594 0.004 . 2 . . . . 112 PHE HB3 . 6888 1
728 . 1 1 121 121 PHE HD1 H 1 6.948 0.050 . 1 . . . . 112 PHE HD1 . 6888 1
729 . 1 1 121 121 PHE HD2 H 1 6.948 0.050 . 1 . . . . 112 PHE HD2 . 6888 1
730 . 1 1 121 121 PHE N N 15 121.383 0.100 . 1 . . . . 112 PHE N . 6888 1
731 . 1 1 122 122 ASN H H 1 8.386 0.011 . 1 . . . . 113 ASN H . 6888 1
732 . 1 1 122 122 ASN HA H 1 4.501 0.014 . 1 . . . . 113 ASN HA . 6888 1
733 . 1 1 122 122 ASN HB2 H 1 2.692 0.008 . 1 . . . . 113 ASN HB2 . 6888 1
734 . 1 1 122 122 ASN HB3 H 1 2.692 0.008 . 1 . . . . 113 ASN HB3 . 6888 1
735 . 1 1 122 122 ASN HD21 H 1 7.348 0.010 . 2 . . . . 113 ASN HD21 . 6888 1
736 . 1 1 122 122 ASN HD22 H 1 6.698 0.001 . 2 . . . . 113 ASN HD22 . 6888 1
737 . 1 1 122 122 ASN N N 15 124.596 0.100 . 1 . . . . 113 ASN N . 6888 1
738 . 1 1 122 122 ASN ND2 N 15 111.744 0.100 . 1 . . . . 113 ASN ND2 . 6888 1
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