Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 53480
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chemical_shifts
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D HNCA' . . . 53480 1
2 '3D HNCACB' . . . 53480 1
3 '3D HCCH-TOCSY' . . . 53480 1
4 '2D 1H-15N HSQC' . . . 53480 1
5 '2D 1H-13C HSQC' . . . 53480 1
6 '3D HCACO' . . . 53480 1
7 '3D HNCO' . . . 53480 1
8 '3D HN(COCA)CB' . . . 53480 1
9 '3D HN(CO)CA' . . . 53480 1
13 '3D 1H-15N TOCSY' . . . 53480 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 . . 53480 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 5 5 GLY C C 13 173.966 0.018 . 1 . . . . . 5 GLY C . 53480 1
2 . 1 . 1 5 5 GLY CA C 13 45.319 0.039 . 1 . . . . . 5 GLY CA . 53480 1
3 . 1 . 1 6 6 GLU H H 1 8.100 0.004 . 1 . . . . . 6 GLU H . 53480 1
4 . 1 . 1 6 6 GLU HA H 1 4.402 0.005 . 1 . . . . . 6 GLU HA . 53480 1
5 . 1 . 1 6 6 GLU HB2 H 1 2.060 0.021 . 2 . . . . . 6 GLU HB2 . 53480 1
6 . 1 . 1 6 6 GLU HB3 H 1 1.888 0.000 . 2 . . . . . 6 GLU HB3 . 53480 1
7 . 1 . 1 6 6 GLU HG2 H 1 2.200 0.003 . 2 . . . . . 6 GLU HG2 . 53480 1
8 . 1 . 1 6 6 GLU HG3 H 1 2.200 0.003 . 2 . . . . . 6 GLU HG3 . 53480 1
9 . 1 . 1 6 6 GLU C C 13 176.105 0.002 . 1 . . . . . 6 GLU C . 53480 1
10 . 1 . 1 6 6 GLU CA C 13 56.226 0.047 . 1 . . . . . 6 GLU CA . 53480 1
11 . 1 . 1 6 6 GLU CB C 13 30.564 0.095 . 1 . . . . . 6 GLU CB . 53480 1
12 . 1 . 1 6 6 GLU CG C 13 36.404 0.017 . 1 . . . . . 6 GLU CG . 53480 1
13 . 1 . 1 6 6 GLU N N 15 120.089 0.067 . 1 . . . . . 6 GLU N . 53480 1
14 . 1 . 1 7 7 GLN H H 1 8.461 0.005 . 1 . . . . . 7 GLN H . 53480 1
15 . 1 . 1 7 7 GLN HA H 1 4.740 0.006 . 1 . . . . . 7 GLN HA . 53480 1
16 . 1 . 1 7 7 GLN HB2 H 1 2.053 0.017 . 2 . . . . . 7 GLN HB2 . 53480 1
17 . 1 . 1 7 7 GLN HB3 H 1 1.897 0.006 . 2 . . . . . 7 GLN HB3 . 53480 1
18 . 1 . 1 7 7 GLN HG2 H 1 2.351 0.005 . 2 . . . . . 7 GLN HG2 . 53480 1
19 . 1 . 1 7 7 GLN HG3 H 1 2.351 0.005 . 2 . . . . . 7 GLN HG3 . 53480 1
20 . 1 . 1 7 7 GLN C C 13 173.547 0.000 . 1 . . . . . 7 GLN C . 53480 1
21 . 1 . 1 7 7 GLN CA C 13 52.951 0.047 . 1 . . . . . 7 GLN CA . 53480 1
22 . 1 . 1 7 7 GLN CB C 13 29.401 0.032 . 1 . . . . . 7 GLN CB . 53480 1
23 . 1 . 1 7 7 GLN CG C 13 33.317 0.014 . 1 . . . . . 7 GLN CG . 53480 1
24 . 1 . 1 7 7 GLN N N 15 120.815 0.040 . 1 . . . . . 7 GLN N . 53480 1
25 . 1 . 1 8 8 PRO C C 13 177.043 0.004 . 1 . . . . . 8 PRO C . 53480 1
26 . 1 . 1 8 8 PRO CA C 13 62.332 0.079 . 1 . . . . . 8 PRO CA . 53480 1
27 . 1 . 1 8 8 PRO CB C 13 32.075 0.028 . 1 . . . . . 8 PRO CB . 53480 1
28 . 1 . 1 8 8 PRO CG C 13 26.800 0.000 . 1 . . . . . 8 PRO CG . 53480 1
29 . 1 . 1 9 9 ILE H H 1 8.495 0.005 . 1 . . . . . 9 ILE H . 53480 1
30 . 1 . 1 9 9 ILE HA H 1 4.123 0.002 . 1 . . . . . 9 ILE HA . 53480 1
31 . 1 . 1 9 9 ILE HB H 1 1.698 0.008 . 1 . . . . . 9 ILE HB . 53480 1
32 . 1 . 1 9 9 ILE HG21 H 1 0.952 0.002 . 1 . . . . . 9 ILE QG2 . 53480 1
33 . 1 . 1 9 9 ILE HG22 H 1 0.952 0.002 . 1 . . . . . 9 ILE QG2 . 53480 1
34 . 1 . 1 9 9 ILE HG23 H 1 0.952 0.002 . 1 . . . . . 9 ILE QG2 . 53480 1
35 . 1 . 1 9 9 ILE C C 13 176.352 0.044 . 1 . . . . . 9 ILE C . 53480 1
36 . 1 . 1 9 9 ILE CA C 13 61.906 0.071 . 1 . . . . . 9 ILE CA . 53480 1
37 . 1 . 1 9 9 ILE CB C 13 38.964 0.031 . 1 . . . . . 9 ILE CB . 53480 1
38 . 1 . 1 9 9 ILE CG2 C 13 18.179 0.017 . 1 . . . . . 9 ILE CG2 . 53480 1
39 . 1 . 1 9 9 ILE N N 15 119.003 0.047 . 1 . . . . . 9 ILE N . 53480 1
40 . 1 . 1 10 10 PHE H H 1 7.152 0.002 . 1 . . . . . 10 PHE H . 53480 1
41 . 1 . 1 10 10 PHE HA H 1 4.625 0.006 . 1 . . . . . 10 PHE HA . 53480 1
42 . 1 . 1 10 10 PHE C C 13 173.446 0.001 . 1 . . . . . 10 PHE C . 53480 1
43 . 1 . 1 10 10 PHE CA C 13 58.309 0.032 . 1 . . . . . 10 PHE CA . 53480 1
44 . 1 . 1 10 10 PHE CB C 13 41.824 0.064 . 1 . . . . . 10 PHE CB . 53480 1
45 . 1 . 1 10 10 PHE N N 15 118.673 0.081 . 1 . . . . . 10 PHE N . 53480 1
46 . 1 . 1 11 11 SER H H 1 7.837 0.004 . 1 . . . . . 11 SER H . 53480 1
47 . 1 . 1 11 11 SER HB2 H 1 3.563 0.010 . 2 . . . . . 11 SER HB2 . 53480 1
48 . 1 . 1 11 11 SER HB3 H 1 3.311 0.005 . 2 . . . . . 11 SER HB3 . 53480 1
49 . 1 . 1 11 11 SER C C 13 170.542 0.002 . 1 . . . . . 11 SER C . 53480 1
50 . 1 . 1 11 11 SER CA C 13 57.459 0.029 . 1 . . . . . 11 SER CA . 53480 1
51 . 1 . 1 11 11 SER CB C 13 66.528 0.064 . 1 . . . . . 11 SER CB . 53480 1
52 . 1 . 1 11 11 SER N N 15 123.168 0.025 . 1 . . . . . 11 SER N . 53480 1
53 . 1 . 1 12 12 THR H H 1 8.832 0.005 . 1 . . . . . 12 THR H . 53480 1
54 . 1 . 1 12 12 THR HA H 1 4.527 0.006 . 1 . . . . . 12 THR HA . 53480 1
55 . 1 . 1 12 12 THR HB H 1 4.116 0.005 . 1 . . . . . 12 THR HB . 53480 1
56 . 1 . 1 12 12 THR C C 13 171.638 0.000 . 1 . . . . . 12 THR C . 53480 1
57 . 1 . 1 12 12 THR CA C 13 59.468 0.076 . 1 . . . . . 12 THR CA . 53480 1
58 . 1 . 1 12 12 THR CB C 13 70.032 0.063 . 1 . . . . . 12 THR CB . 53480 1
59 . 1 . 1 12 12 THR CG2 C 13 20.402 0.000 . 1 . . . . . 12 THR CG2 . 53480 1
60 . 1 . 1 12 12 THR N N 15 118.257 0.026 . 1 . . . . . 12 THR N . 53480 1
61 . 1 . 1 13 13 ARG H H 1 8.082 0.003 . 1 . . . . . 13 ARG H . 53480 1
62 . 1 . 1 13 13 ARG HA H 1 5.278 0.003 . 1 . . . . . 13 ARG HA . 53480 1
63 . 1 . 1 13 13 ARG HB2 H 1 1.558 0.008 . 2 . . . . . 13 ARG HB2 . 53480 1
64 . 1 . 1 13 13 ARG HB3 H 1 1.388 0.002 . 2 . . . . . 13 ARG HB3 . 53480 1
65 . 1 . 1 13 13 ARG C C 13 174.983 0.005 . 1 . . . . . 13 ARG C . 53480 1
66 . 1 . 1 13 13 ARG CA C 13 54.204 0.030 . 1 . . . . . 13 ARG CA . 53480 1
67 . 1 . 1 13 13 ARG CB C 13 32.535 0.056 . 1 . . . . . 13 ARG CB . 53480 1
68 . 1 . 1 13 13 ARG CG C 13 27.002 0.000 . 1 . . . . . 13 ARG CG . 53480 1
69 . 1 . 1 13 13 ARG CD C 13 43.114 0.000 . 1 . . . . . 13 ARG CD . 53480 1
70 . 1 . 1 13 13 ARG N N 15 123.070 0.044 . 1 . . . . . 13 ARG N . 53480 1
71 . 1 . 1 14 14 ALA H H 1 8.984 0.003 . 1 . . . . . 14 ALA H . 53480 1
72 . 1 . 1 14 14 ALA HA H 1 4.451 0.005 . 1 . . . . . 14 ALA HA . 53480 1
73 . 1 . 1 14 14 ALA HB1 H 1 0.486 0.003 . 1 . . . . . 14 ALA HB# . 53480 1
74 . 1 . 1 14 14 ALA HB2 H 1 0.486 0.003 . 1 . . . . . 14 ALA HB# . 53480 1
75 . 1 . 1 14 14 ALA HB3 H 1 0.486 0.003 . 1 . . . . . 14 ALA HB# . 53480 1
76 . 1 . 1 14 14 ALA C C 13 175.887 0.007 . 1 . . . . . 14 ALA C . 53480 1
77 . 1 . 1 14 14 ALA CA C 13 51.467 0.067 . 1 . . . . . 14 ALA CA . 53480 1
78 . 1 . 1 14 14 ALA CB C 13 22.330 0.011 . 1 . . . . . 14 ALA CB . 53480 1
79 . 1 . 1 14 14 ALA N N 15 123.539 0.025 . 1 . . . . . 14 ALA N . 53480 1
80 . 1 . 1 15 15 HIS H H 1 8.577 0.003 . 1 . . . . . 15 HIS H . 53480 1
81 . 1 . 1 15 15 HIS HA H 1 4.084 0.002 . 1 . . . . . 15 HIS HA . 53480 1
82 . 1 . 1 15 15 HIS HB2 H 1 3.014 0.003 . 2 . . . . . 15 HIS HB2 . 53480 1
83 . 1 . 1 15 15 HIS HB3 H 1 2.738 0.002 . 2 . . . . . 15 HIS HB3 . 53480 1
84 . 1 . 1 15 15 HIS C C 13 174.615 0.010 . 1 . . . . . 15 HIS C . 53480 1
85 . 1 . 1 15 15 HIS CA C 13 58.092 0.093 . 1 . . . . . 15 HIS CA . 53480 1
86 . 1 . 1 15 15 HIS CB C 13 31.560 0.043 . 1 . . . . . 15 HIS CB . 53480 1
87 . 1 . 1 15 15 HIS N N 15 120.066 0.034 . 1 . . . . . 15 HIS N . 53480 1
88 . 1 . 1 16 16 VAL H H 1 7.771 0.004 . 1 . . . . . 16 VAL H . 53480 1
89 . 1 . 1 16 16 VAL HA H 1 4.500 0.003 . 1 . . . . . 16 VAL HA . 53480 1
90 . 1 . 1 16 16 VAL HB H 1 1.497 0.004 . 1 . . . . . 16 VAL HB . 53480 1
91 . 1 . 1 16 16 VAL HG11 H 1 0.876 0.015 . 2 . . . . . 16 VAL QG1 . 53480 1
92 . 1 . 1 16 16 VAL HG12 H 1 0.876 0.015 . 2 . . . . . 16 VAL QG1 . 53480 1
93 . 1 . 1 16 16 VAL HG13 H 1 0.876 0.015 . 2 . . . . . 16 VAL QG1 . 53480 1
94 . 1 . 1 16 16 VAL HG21 H 1 0.876 0.015 . 2 . . . . . 16 VAL QG2 . 53480 1
95 . 1 . 1 16 16 VAL HG22 H 1 0.876 0.015 . 2 . . . . . 16 VAL QG2 . 53480 1
96 . 1 . 1 16 16 VAL HG23 H 1 0.876 0.015 . 2 . . . . . 16 VAL QG2 . 53480 1
97 . 1 . 1 16 16 VAL C C 13 175.072 0.010 . 1 . . . . . 16 VAL C . 53480 1
98 . 1 . 1 16 16 VAL CA C 13 62.213 0.045 . 1 . . . . . 16 VAL CA . 53480 1
99 . 1 . 1 16 16 VAL CB C 13 33.147 0.062 . 1 . . . . . 16 VAL CB . 53480 1
100 . 1 . 1 16 16 VAL CG1 C 13 21.791 0.050 . 2 . . . . . 16 VAL CG1 . 53480 1
101 . 1 . 1 16 16 VAL CG2 C 13 21.791 0.050 . 2 . . . . . 16 VAL CG2 . 53480 1
102 . 1 . 1 16 16 VAL N N 15 122.444 0.053 . 1 . . . . . 16 VAL N . 53480 1
103 . 1 . 1 17 17 PHE H H 1 9.496 0.005 . 1 . . . . . 17 PHE H . 53480 1
104 . 1 . 1 17 17 PHE HA H 1 5.446 0.005 . 1 . . . . . 17 PHE HA . 53480 1
105 . 1 . 1 17 17 PHE HB2 H 1 3.174 0.013 . 2 . . . . . 17 PHE HB2 . 53480 1
106 . 1 . 1 17 17 PHE HB3 H 1 2.507 0.008 . 2 . . . . . 17 PHE HB3 . 53480 1
107 . 1 . 1 17 17 PHE C C 13 174.900 0.012 . 1 . . . . . 17 PHE C . 53480 1
108 . 1 . 1 17 17 PHE CA C 13 56.107 0.037 . 1 . . . . . 17 PHE CA . 53480 1
109 . 1 . 1 17 17 PHE CB C 13 45.265 0.057 . 1 . . . . . 17 PHE CB . 53480 1
110 . 1 . 1 17 17 PHE N N 15 127.266 0.063 . 1 . . . . . 17 PHE N . 53480 1
111 . 1 . 1 18 18 GLN H H 1 9.082 0.004 . 1 . . . . . 18 GLN H . 53480 1
112 . 1 . 1 18 18 GLN HA H 1 5.606 0.003 . 1 . . . . . 18 GLN HA . 53480 1
113 . 1 . 1 18 18 GLN HB2 H 1 2.008 0.004 . 2 . . . . . 18 GLN HB2 . 53480 1
114 . 1 . 1 18 18 GLN HB3 H 1 1.872 0.001 . 2 . . . . . 18 GLN HB3 . 53480 1
115 . 1 . 1 18 18 GLN HG2 H 1 2.265 0.012 . 2 . . . . . 18 GLN HG2 . 53480 1
116 . 1 . 1 18 18 GLN HG3 H 1 2.265 0.012 . 2 . . . . . 18 GLN HG3 . 53480 1
117 . 1 . 1 18 18 GLN C C 13 175.632 0.002 . 1 . . . . . 18 GLN C . 53480 1
118 . 1 . 1 18 18 GLN CA C 13 54.632 0.054 . 1 . . . . . 18 GLN CA . 53480 1
119 . 1 . 1 18 18 GLN CB C 13 34.420 0.053 . 1 . . . . . 18 GLN CB . 53480 1
120 . 1 . 1 18 18 GLN CG C 13 35.392 0.000 . 1 . . . . . 18 GLN CG . 53480 1
121 . 1 . 1 18 18 GLN N N 15 117.219 0.053 . 1 . . . . . 18 GLN N . 53480 1
122 . 1 . 1 19 19 ILE H H 1 7.751 0.003 . 1 . . . . . 19 ILE H . 53480 1
123 . 1 . 1 19 19 ILE HA H 1 3.757 0.004 . 1 . . . . . 19 ILE HA . 53480 1
124 . 1 . 1 19 19 ILE HB H 1 0.905 0.001 . 1 . . . . . 19 ILE HB . 53480 1
125 . 1 . 1 19 19 ILE C C 13 174.989 0.008 . 1 . . . . . 19 ILE C . 53480 1
126 . 1 . 1 19 19 ILE CA C 13 59.637 0.049 . 1 . . . . . 19 ILE CA . 53480 1
127 . 1 . 1 19 19 ILE CB C 13 38.967 0.069 . 1 . . . . . 19 ILE CB . 53480 1
128 . 1 . 1 19 19 ILE CG1 C 13 28.276 0.000 . 1 . . . . . 19 ILE CG1 . 53480 1
129 . 1 . 1 19 19 ILE CD1 C 13 17.806 0.000 . 1 . . . . . 19 ILE CD1 . 53480 1
130 . 1 . 1 19 19 ILE N N 15 124.159 0.028 . 1 . . . . . 19 ILE N . 53480 1
131 . 1 . 1 20 20 ASP H H 1 8.234 0.003 . 1 . . . . . 20 ASP H . 53480 1
132 . 1 . 1 20 20 ASP HA H 1 4.504 0.001 . 1 . . . . . 20 ASP HA . 53480 1
133 . 1 . 1 20 20 ASP HB2 H 1 2.749 0.005 . 2 . . . . . 20 ASP HB2 . 53480 1
134 . 1 . 1 20 20 ASP HB3 H 1 2.460 0.000 . 2 . . . . . 20 ASP HB3 . 53480 1
135 . 1 . 1 20 20 ASP C C 13 175.395 0.000 . 1 . . . . . 20 ASP C . 53480 1
136 . 1 . 1 20 20 ASP CA C 13 51.796 0.084 . 1 . . . . . 20 ASP CA . 53480 1
137 . 1 . 1 20 20 ASP CB C 13 42.316 0.054 . 1 . . . . . 20 ASP CB . 53480 1
138 . 1 . 1 20 20 ASP N N 15 127.640 0.042 . 1 . . . . . 20 ASP N . 53480 1
139 . 1 . 1 21 21 PRO C C 13 177.247 0.011 . 1 . . . . . 21 PRO C . 53480 1
140 . 1 . 1 21 21 PRO CA C 13 64.039 0.062 . 1 . . . . . 21 PRO CA . 53480 1
141 . 1 . 1 21 21 PRO CB C 13 31.985 0.012 . 1 . . . . . 21 PRO CB . 53480 1
142 . 1 . 1 21 21 PRO CG C 13 26.836 0.000 . 1 . . . . . 21 PRO CG . 53480 1
143 . 1 . 1 22 22 ASN H H 1 8.351 0.003 . 1 . . . . . 22 ASN H . 53480 1
144 . 1 . 1 22 22 ASN HA H 1 4.576 0.003 . 1 . . . . . 22 ASN HA . 53480 1
145 . 1 . 1 22 22 ASN HB2 H 1 2.865 0.002 . 2 . . . . . 22 ASN HB2 . 53480 1
146 . 1 . 1 22 22 ASN HB3 H 1 2.771 0.008 . 2 . . . . . 22 ASN HB3 . 53480 1
147 . 1 . 1 22 22 ASN C C 13 175.966 0.005 . 1 . . . . . 22 ASN C . 53480 1
148 . 1 . 1 22 22 ASN CA C 13 54.917 0.088 . 1 . . . . . 22 ASN CA . 53480 1
149 . 1 . 1 22 22 ASN CB C 13 39.052 0.026 . 1 . . . . . 22 ASN CB . 53480 1
150 . 1 . 1 22 22 ASN N N 15 115.837 0.019 . 1 . . . . . 22 ASN N . 53480 1
151 . 1 . 1 23 23 THR H H 1 7.863 0.005 . 1 . . . . . 23 THR H . 53480 1
152 . 1 . 1 23 23 THR HA H 1 4.264 0.002 . 1 . . . . . 23 THR HA . 53480 1
153 . 1 . 1 23 23 THR HB H 1 4.112 0.003 . 1 . . . . . 23 THR HB . 53480 1
154 . 1 . 1 23 23 THR C C 13 174.754 0.013 . 1 . . . . . 23 THR C . 53480 1
155 . 1 . 1 23 23 THR CA C 13 61.698 0.050 . 1 . . . . . 23 THR CA . 53480 1
156 . 1 . 1 23 23 THR CB C 13 70.545 0.038 . 1 . . . . . 23 THR CB . 53480 1
157 . 1 . 1 23 23 THR CG2 C 13 21.343 0.000 . 1 . . . . . 23 THR CG2 . 53480 1
158 . 1 . 1 23 23 THR N N 15 109.442 0.034 . 1 . . . . . 23 THR N . 53480 1
159 . 1 . 1 24 24 LYS H H 1 8.122 0.015 . 1 . . . . . 24 LYS H . 53480 1
160 . 1 . 1 24 24 LYS HB2 H 1 2.254 0.002 . 2 . . . . . 24 LYS HB2 . 53480 1
161 . 1 . 1 24 24 LYS HB3 H 1 2.162 0.008 . 2 . . . . . 24 LYS HB3 . 53480 1
162 . 1 . 1 24 24 LYS C C 13 175.916 0.018 . 1 . . . . . 24 LYS C . 53480 1
163 . 1 . 1 24 24 LYS CA C 13 57.576 0.025 . 1 . . . . . 24 LYS CA . 53480 1
164 . 1 . 1 24 24 LYS CB C 13 30.247 0.073 . 1 . . . . . 24 LYS CB . 53480 1
165 . 1 . 1 24 24 LYS CG C 13 25.005 0.000 . 1 . . . . . 24 LYS CG . 53480 1
166 . 1 . 1 24 24 LYS CD C 13 28.912 0.000 . 1 . . . . . 24 LYS CD . 53480 1
167 . 1 . 1 24 24 LYS N N 15 117.530 0.049 . 1 . . . . . 24 LYS N . 53480 1
168 . 1 . 1 25 25 LYS H H 1 7.757 0.006 . 1 . . . . . 25 LYS H . 53480 1
169 . 1 . 1 25 25 LYS HA H 1 4.144 0.004 . 1 . . . . . 25 LYS HA . 53480 1
170 . 1 . 1 25 25 LYS HB2 H 1 1.627 0.006 . 2 . . . . . 25 LYS HB2 . 53480 1
171 . 1 . 1 25 25 LYS HB3 H 1 1.470 0.008 . 2 . . . . . 25 LYS HB3 . 53480 1
172 . 1 . 1 25 25 LYS C C 13 174.917 0.005 . 1 . . . . . 25 LYS C . 53480 1
173 . 1 . 1 25 25 LYS CA C 13 56.431 0.059 . 1 . . . . . 25 LYS CA . 53480 1
174 . 1 . 1 25 25 LYS CB C 13 34.375 0.070 . 1 . . . . . 25 LYS CB . 53480 1
175 . 1 . 1 25 25 LYS CG C 13 24.402 0.000 . 1 . . . . . 25 LYS CG . 53480 1
176 . 1 . 1 25 25 LYS CD C 13 28.978 0.000 . 1 . . . . . 25 LYS CD . 53480 1
177 . 1 . 1 25 25 LYS CE C 13 42.104 0.000 . 1 . . . . . 25 LYS CE . 53480 1
178 . 1 . 1 25 25 LYS N N 15 115.675 0.033 . 1 . . . . . 25 LYS N . 53480 1
179 . 1 . 1 26 26 ASN H H 1 7.339 0.006 . 1 . . . . . 26 ASN H . 53480 1
180 . 1 . 1 26 26 ASN HA H 1 4.607 0.004 . 1 . . . . . 26 ASN HA . 53480 1
181 . 1 . 1 26 26 ASN HB2 H 1 2.664 0.003 . 2 . . . . . 26 ASN HB2 . 53480 1
182 . 1 . 1 26 26 ASN HB3 H 1 2.533 0.002 . 2 . . . . . 26 ASN HB3 . 53480 1
183 . 1 . 1 26 26 ASN C C 13 173.152 0.008 . 1 . . . . . 26 ASN C . 53480 1
184 . 1 . 1 26 26 ASN CA C 13 52.311 0.064 . 1 . . . . . 26 ASN CA . 53480 1
185 . 1 . 1 26 26 ASN CB C 13 40.404 0.022 . 1 . . . . . 26 ASN CB . 53480 1
186 . 1 . 1 26 26 ASN N N 15 115.603 0.027 . 1 . . . . . 26 ASN N . 53480 1
187 . 1 . 1 27 27 TRP H H 1 8.428 0.010 . 1 . . . . . 27 TRP H . 53480 1
188 . 1 . 1 27 27 TRP HA H 1 4.730 0.012 . 1 . . . . . 27 TRP HA . 53480 1
189 . 1 . 1 27 27 TRP C C 13 176.408 0.011 . 1 . . . . . 27 TRP C . 53480 1
190 . 1 . 1 27 27 TRP CA C 13 56.853 0.037 . 1 . . . . . 27 TRP CA . 53480 1
191 . 1 . 1 27 27 TRP CB C 13 31.046 0.018 . 1 . . . . . 27 TRP CB . 53480 1
192 . 1 . 1 27 27 TRP N N 15 121.437 0.037 . 1 . . . . . 27 TRP N . 53480 1
193 . 1 . 1 28 28 VAL H H 1 9.508 0.003 . 1 . . . . . 28 VAL H . 53480 1
194 . 1 . 1 28 28 VAL HA H 1 4.757 0.009 . 1 . . . . . 28 VAL HA . 53480 1
195 . 1 . 1 28 28 VAL HB H 1 2.222 0.007 . 1 . . . . . 28 VAL HB . 53480 1
196 . 1 . 1 28 28 VAL HG11 H 1 0.939 0.003 . 2 . . . . . 28 VAL QG1 . 53480 1
197 . 1 . 1 28 28 VAL HG12 H 1 0.939 0.003 . 2 . . . . . 28 VAL QG1 . 53480 1
198 . 1 . 1 28 28 VAL HG13 H 1 0.939 0.003 . 2 . . . . . 28 VAL QG1 . 53480 1
199 . 1 . 1 28 28 VAL HG21 H 1 0.939 0.003 . 2 . . . . . 28 VAL QG2 . 53480 1
200 . 1 . 1 28 28 VAL HG22 H 1 0.939 0.003 . 2 . . . . . 28 VAL QG2 . 53480 1
201 . 1 . 1 28 28 VAL HG23 H 1 0.939 0.003 . 2 . . . . . 28 VAL QG2 . 53480 1
202 . 1 . 1 28 28 VAL C C 13 174.445 0.000 . 1 . . . . . 28 VAL C . 53480 1
203 . 1 . 1 28 28 VAL CA C 13 59.082 0.051 . 1 . . . . . 28 VAL CA . 53480 1
204 . 1 . 1 28 28 VAL CB C 13 33.990 0.028 . 1 . . . . . 28 VAL CB . 53480 1
205 . 1 . 1 28 28 VAL CG1 C 13 20.469 0.001 . 1 . . . . . 28 VAL CG1 . 53480 1
206 . 1 . 1 28 28 VAL CG2 C 13 20.469 0.001 . 1 . . . . . 28 VAL CG2 . 53480 1
207 . 1 . 1 28 28 VAL N N 15 125.111 0.068 . 1 . . . . . 28 VAL N . 53480 1
208 . 1 . 1 29 29 PRO C C 13 177.558 0.041 . 1 . . . . . 29 PRO C . 53480 1
209 . 1 . 1 29 29 PRO CA C 13 63.063 0.074 . 1 . . . . . 29 PRO CA . 53480 1
210 . 1 . 1 29 29 PRO CB C 13 32.041 0.021 . 1 . . . . . 29 PRO CB . 53480 1
211 . 1 . 1 30 30 THR H H 1 8.904 0.003 . 1 . . . . . 30 THR H . 53480 1
212 . 1 . 1 30 30 THR HA H 1 4.288 0.001 . 1 . . . . . 30 THR HA . 53480 1
213 . 1 . 1 30 30 THR HB H 1 3.931 0.006 . 1 . . . . . 30 THR HB . 53480 1
214 . 1 . 1 30 30 THR HG21 H 1 1.165 0.001 . 1 . . . . . 30 THR QG2 . 53480 1
215 . 1 . 1 30 30 THR HG22 H 1 1.165 0.001 . 1 . . . . . 30 THR QG2 . 53480 1
216 . 1 . 1 30 30 THR HG23 H 1 1.165 0.001 . 1 . . . . . 30 THR QG2 . 53480 1
217 . 1 . 1 30 30 THR C C 13 174.743 0.024 . 1 . . . . . 30 THR C . 53480 1
218 . 1 . 1 30 30 THR CA C 13 62.588 0.062 . 1 . . . . . 30 THR CA . 53480 1
219 . 1 . 1 30 30 THR CB C 13 68.736 0.047 . 1 . . . . . 30 THR CB . 53480 1
220 . 1 . 1 30 30 THR CG2 C 13 23.191 0.020 . 1 . . . . . 30 THR CG2 . 53480 1
221 . 1 . 1 30 30 THR N N 15 118.644 0.020 . 1 . . . . . 30 THR N . 53480 1
222 . 1 . 1 31 31 SER H H 1 7.330 0.005 . 1 . . . . . 31 SER H . 53480 1
223 . 1 . 1 31 31 SER HA H 1 4.581 0.017 . 1 . . . . . 31 SER HA . 53480 1
224 . 1 . 1 31 31 SER HB2 H 1 4.029 0.006 . 2 . . . . . 31 SER HB2 . 53480 1
225 . 1 . 1 31 31 SER HB3 H 1 3.407 0.001 . 2 . . . . . 31 SER HB3 . 53480 1
226 . 1 . 1 31 31 SER C C 13 173.798 0.000 . 1 . . . . . 31 SER C . 53480 1
227 . 1 . 1 31 31 SER CA C 13 56.775 0.071 . 1 . . . . . 31 SER CA . 53480 1
228 . 1 . 1 31 31 SER CB C 13 65.923 0.061 . 1 . . . . . 31 SER CB . 53480 1
229 . 1 . 1 31 31 SER N N 15 114.112 0.030 . 1 . . . . . 31 SER N . 53480 1
230 . 1 . 1 32 32 LYS C C 13 175.808 0.025 . 1 . . . . . 32 LYS C . 53480 1
231 . 1 . 1 32 32 LYS CA C 13 57.705 0.025 . 1 . . . . . 32 LYS CA . 53480 1
232 . 1 . 1 32 32 LYS CB C 13 32.390 0.072 . 1 . . . . . 32 LYS CB . 53480 1
233 . 1 . 1 32 32 LYS CG C 13 24.924 0.000 . 1 . . . . . 32 LYS CG . 53480 1
234 . 1 . 1 32 32 LYS CD C 13 28.859 0.000 . 1 . . . . . 32 LYS CD . 53480 1
235 . 1 . 1 33 33 HIS H H 1 7.441 0.005 . 1 . . . . . 33 HIS H . 53480 1
236 . 1 . 1 33 33 HIS HA H 1 4.633 0.004 . 1 . . . . . 33 HIS HA . 53480 1
237 . 1 . 1 33 33 HIS HB2 H 1 3.151 0.004 . 2 . . . . . 33 HIS HB2 . 53480 1
238 . 1 . 1 33 33 HIS HB3 H 1 2.861 0.005 . 2 . . . . . 33 HIS HB3 . 53480 1
239 . 1 . 1 33 33 HIS C C 13 173.984 0.003 . 1 . . . . . 33 HIS C . 53480 1
240 . 1 . 1 33 33 HIS CA C 13 53.288 0.067 . 1 . . . . . 33 HIS CA . 53480 1
241 . 1 . 1 33 33 HIS CB C 13 32.298 0.066 . 1 . . . . . 33 HIS CB . 53480 1
242 . 1 . 1 33 33 HIS N N 15 115.206 0.023 . 1 . . . . . 33 HIS N . 53480 1
243 . 1 . 1 34 34 ALA H H 1 8.210 0.005 . 1 . . . . . 34 ALA H . 53480 1
244 . 1 . 1 34 34 ALA HA H 1 3.414 0.002 . 1 . . . . . 34 ALA HA . 53480 1
245 . 1 . 1 34 34 ALA HB1 H 1 0.830 0.001 . 1 . . . . . 34 ALA HB# . 53480 1
246 . 1 . 1 34 34 ALA HB2 H 1 0.830 0.001 . 1 . . . . . 34 ALA HB# . 53480 1
247 . 1 . 1 34 34 ALA HB3 H 1 0.830 0.001 . 1 . . . . . 34 ALA HB# . 53480 1
248 . 1 . 1 34 34 ALA C C 13 176.889 0.010 . 1 . . . . . 34 ALA C . 53480 1
249 . 1 . 1 34 34 ALA CA C 13 52.664 0.055 . 1 . . . . . 34 ALA CA . 53480 1
250 . 1 . 1 34 34 ALA CB C 13 17.747 0.065 . 1 . . . . . 34 ALA CB . 53480 1
251 . 1 . 1 34 34 ALA N N 15 123.346 0.057 . 1 . . . . . 34 ALA N . 53480 1
252 . 1 . 1 35 35 VAL H H 1 8.297 0.008 . 1 . . . . . 35 VAL H . 53480 1
253 . 1 . 1 35 35 VAL HA H 1 4.538 0.002 . 1 . . . . . 35 VAL HA . 53480 1
254 . 1 . 1 35 35 VAL HB H 1 2.164 0.024 . 1 . . . . . 35 VAL HB . 53480 1
255 . 1 . 1 35 35 VAL C C 13 175.162 0.001 . 1 . . . . . 35 VAL C . 53480 1
256 . 1 . 1 35 35 VAL CA C 13 59.049 0.087 . 1 . . . . . 35 VAL CA . 53480 1
257 . 1 . 1 35 35 VAL CB C 13 35.525 0.071 . 1 . . . . . 35 VAL CB . 53480 1
258 . 1 . 1 35 35 VAL CG1 C 13 22.438 0.000 . 2 . . . . . 35 VAL CG1 . 53480 1
259 . 1 . 1 35 35 VAL CG2 C 13 19.023 0.000 . 2 . . . . . 35 VAL CG2 . 53480 1
260 . 1 . 1 35 35 VAL N N 15 116.502 0.036 . 1 . . . . . 35 VAL N . 53480 1
261 . 1 . 1 36 36 THR H H 1 8.653 0.003 . 1 . . . . . 36 THR H . 53480 1
262 . 1 . 1 36 36 THR HA H 1 4.636 0.006 . 1 . . . . . 36 THR HA . 53480 1
263 . 1 . 1 36 36 THR HB H 1 4.038 0.014 . 1 . . . . . 36 THR HB . 53480 1
264 . 1 . 1 36 36 THR HG21 H 1 1.137 0.022 . 1 . . . . . 36 THR QG2 . 53480 1
265 . 1 . 1 36 36 THR HG22 H 1 1.137 0.022 . 1 . . . . . 36 THR QG2 . 53480 1
266 . 1 . 1 36 36 THR HG23 H 1 1.137 0.022 . 1 . . . . . 36 THR QG2 . 53480 1
267 . 1 . 1 36 36 THR C C 13 175.335 0.000 . 1 . . . . . 36 THR C . 53480 1
268 . 1 . 1 36 36 THR CA C 13 63.840 0.055 . 1 . . . . . 36 THR CA . 53480 1
269 . 1 . 1 36 36 THR CB C 13 68.851 0.063 . 1 . . . . . 36 THR CB . 53480 1
270 . 1 . 1 36 36 THR CG2 C 13 22.302 0.023 . 1 . . . . . 36 THR CG2 . 53480 1
271 . 1 . 1 36 36 THR N N 15 117.179 0.025 . 1 . . . . . 36 THR N . 53480 1
272 . 1 . 1 37 37 VAL H H 1 9.142 0.005 . 1 . . . . . 37 VAL H . 53480 1
273 . 1 . 1 37 37 VAL HA H 1 4.263 0.019 . 1 . . . . . 37 VAL HA . 53480 1
274 . 1 . 1 37 37 VAL HB H 1 1.699 0.010 . 1 . . . . . 37 VAL HB . 53480 1
275 . 1 . 1 37 37 VAL HG11 H 1 0.688 0.000 . 2 . . . . . 37 VAL QG1 . 53480 1
276 . 1 . 1 37 37 VAL HG12 H 1 0.688 0.000 . 2 . . . . . 37 VAL QG1 . 53480 1
277 . 1 . 1 37 37 VAL HG13 H 1 0.688 0.000 . 2 . . . . . 37 VAL QG1 . 53480 1
278 . 1 . 1 37 37 VAL HG21 H 1 0.688 0.000 . 2 . . . . . 37 VAL QG2 . 53480 1
279 . 1 . 1 37 37 VAL HG22 H 1 0.688 0.000 . 2 . . . . . 37 VAL QG2 . 53480 1
280 . 1 . 1 37 37 VAL HG23 H 1 0.688 0.000 . 2 . . . . . 37 VAL QG2 . 53480 1
281 . 1 . 1 37 37 VAL C C 13 174.553 0.016 . 1 . . . . . 37 VAL C . 53480 1
282 . 1 . 1 37 37 VAL CA C 13 62.243 0.063 . 1 . . . . . 37 VAL CA . 53480 1
283 . 1 . 1 37 37 VAL CB C 13 33.603 0.042 . 1 . . . . . 37 VAL CB . 53480 1
284 . 1 . 1 37 37 VAL CG1 C 13 21.875 0.000 . 2 . . . . . 37 VAL CG1 . 53480 1
285 . 1 . 1 37 37 VAL CG2 C 13 20.243 0.000 . 2 . . . . . 37 VAL CG2 . 53480 1
286 . 1 . 1 37 37 VAL N N 15 132.487 0.029 . 1 . . . . . 37 VAL N . 53480 1
287 . 1 . 1 38 38 SER H H 1 8.528 0.006 . 1 . . . . . 38 SER H . 53480 1
288 . 1 . 1 38 38 SER HA H 1 5.660 0.003 . 1 . . . . . 38 SER HA . 53480 1
289 . 1 . 1 38 38 SER HB2 H 1 3.587 0.015 . 2 . . . . . 38 SER HB2 . 53480 1
290 . 1 . 1 38 38 SER HB3 H 1 3.501 0.012 . 2 . . . . . 38 SER HB3 . 53480 1
291 . 1 . 1 38 38 SER C C 13 172.242 0.004 . 1 . . . . . 38 SER C . 53480 1
292 . 1 . 1 38 38 SER CA C 13 57.200 0.040 . 1 . . . . . 38 SER CA . 53480 1
293 . 1 . 1 38 38 SER CB C 13 67.482 0.049 . 1 . . . . . 38 SER CB . 53480 1
294 . 1 . 1 38 38 SER N N 15 120.639 0.047 . 1 . . . . . 38 SER N . 53480 1
295 . 1 . 1 39 39 TYR H H 1 8.604 0.003 . 1 . . . . . 39 TYR H . 53480 1
296 . 1 . 1 39 39 TYR HA H 1 5.535 0.001 . 1 . . . . . 39 TYR HA . 53480 1
297 . 1 . 1 39 39 TYR HB2 H 1 2.640 0.005 . 2 . . . . . 39 TYR HB2 . 53480 1
298 . 1 . 1 39 39 TYR HB3 H 1 2.417 0.003 . 2 . . . . . 39 TYR HB3 . 53480 1
299 . 1 . 1 39 39 TYR C C 13 175.461 0.000 . 1 . . . . . 39 TYR C . 53480 1
300 . 1 . 1 39 39 TYR CA C 13 56.832 0.050 . 1 . . . . . 39 TYR CA . 53480 1
301 . 1 . 1 39 39 TYR CB C 13 41.565 0.051 . 1 . . . . . 39 TYR CB . 53480 1
302 . 1 . 1 39 39 TYR N N 15 118.759 0.035 . 1 . . . . . 39 TYR N . 53480 1
303 . 1 . 1 40 40 PHE H H 1 9.497 0.007 . 1 . . . . . 40 PHE H . 53480 1
304 . 1 . 1 40 40 PHE HA H 1 4.774 0.001 . 1 . . . . . 40 PHE HA . 53480 1
305 . 1 . 1 40 40 PHE HB2 H 1 2.919 0.000 . 2 . . . . . 40 PHE HB2 . 53480 1
306 . 1 . 1 40 40 PHE HB3 H 1 2.436 0.004 . 2 . . . . . 40 PHE HB3 . 53480 1
307 . 1 . 1 40 40 PHE C C 13 174.050 0.013 . 1 . . . . . 40 PHE C . 53480 1
308 . 1 . 1 40 40 PHE CA C 13 56.880 0.070 . 1 . . . . . 40 PHE CA . 53480 1
309 . 1 . 1 40 40 PHE CB C 13 43.632 0.011 . 1 . . . . . 40 PHE CB . 53480 1
310 . 1 . 1 40 40 PHE N N 15 120.219 0.075 . 1 . . . . . 40 PHE N . 53480 1
311 . 1 . 1 41 41 TYR H H 1 8.960 0.004 . 1 . . . . . 41 TYR H . 53480 1
312 . 1 . 1 41 41 TYR HA H 1 4.598 0.004 . 1 . . . . . 41 TYR HA . 53480 1
313 . 1 . 1 41 41 TYR HB2 H 1 2.585 0.005 . 2 . . . . . 41 TYR HB2 . 53480 1
314 . 1 . 1 41 41 TYR HB3 H 1 2.536 0.022 . 2 . . . . . 41 TYR HB3 . 53480 1
315 . 1 . 1 41 41 TYR C C 13 173.674 0.021 . 1 . . . . . 41 TYR C . 53480 1
316 . 1 . 1 41 41 TYR CA C 13 55.908 0.032 . 1 . . . . . 41 TYR CA . 53480 1
317 . 1 . 1 41 41 TYR CB C 13 40.168 0.078 . 1 . . . . . 41 TYR CB . 53480 1
318 . 1 . 1 41 41 TYR N N 15 121.213 0.040 . 1 . . . . . 41 TYR N . 53480 1
319 . 1 . 1 42 42 ASP H H 1 8.245 0.006 . 1 . . . . . 42 ASP H . 53480 1
320 . 1 . 1 42 42 ASP HA H 1 4.507 0.007 . 1 . . . . . 42 ASP HA . 53480 1
321 . 1 . 1 42 42 ASP HB2 H 1 2.642 0.007 . 2 . . . . . 42 ASP HB2 . 53480 1
322 . 1 . 1 42 42 ASP HB3 H 1 2.119 0.003 . 2 . . . . . 42 ASP HB3 . 53480 1
323 . 1 . 1 42 42 ASP C C 13 175.772 0.010 . 1 . . . . . 42 ASP C . 53480 1
324 . 1 . 1 42 42 ASP CA C 13 51.521 0.083 . 1 . . . . . 42 ASP CA . 53480 1
325 . 1 . 1 42 42 ASP CB C 13 41.533 0.043 . 1 . . . . . 42 ASP CB . 53480 1
326 . 1 . 1 42 42 ASP N N 15 128.449 0.052 . 1 . . . . . 42 ASP N . 53480 1
327 . 1 . 1 43 43 SER H H 1 8.398 0.006 . 1 . . . . . 43 SER H . 53480 1
328 . 1 . 1 43 43 SER HA H 1 4.156 0.002 . 1 . . . . . 43 SER HA . 53480 1
329 . 1 . 1 43 43 SER HB2 H 1 3.971 0.005 . 2 . . . . . 43 SER HB2 . 53480 1
330 . 1 . 1 43 43 SER HB3 H 1 3.948 0.002 . 2 . . . . . 43 SER HB3 . 53480 1
331 . 1 . 1 43 43 SER C C 13 175.571 0.000 . 1 . . . . . 43 SER C . 53480 1
332 . 1 . 1 43 43 SER CA C 13 59.884 0.045 . 1 . . . . . 43 SER CA . 53480 1
333 . 1 . 1 43 43 SER CB C 13 63.044 0.048 . 1 . . . . . 43 SER CB . 53480 1
334 . 1 . 1 43 43 SER N N 15 120.290 0.065 . 1 . . . . . 43 SER N . 53480 1
335 . 1 . 1 44 44 THR H H 1 8.146 0.003 . 1 . . . . . 44 THR H . 53480 1
336 . 1 . 1 44 44 THR HA H 1 4.036 0.004 . 1 . . . . . 44 THR HA . 53480 1
337 . 1 . 1 44 44 THR HB H 1 4.107 0.003 . 1 . . . . . 44 THR HB . 53480 1
338 . 1 . 1 44 44 THR HG21 H 1 1.098 0.001 . 1 . . . . . 44 THR QG2 . 53480 1
339 . 1 . 1 44 44 THR HG22 H 1 1.098 0.001 . 1 . . . . . 44 THR QG2 . 53480 1
340 . 1 . 1 44 44 THR HG23 H 1 1.098 0.001 . 1 . . . . . 44 THR QG2 . 53480 1
341 . 1 . 1 44 44 THR C C 13 176.323 0.000 . 1 . . . . . 44 THR C . 53480 1
342 . 1 . 1 44 44 THR CA C 13 65.063 0.042 . 1 . . . . . 44 THR CA . 53480 1
343 . 1 . 1 44 44 THR CB C 13 68.301 0.089 . 1 . . . . . 44 THR CB . 53480 1
344 . 1 . 1 44 44 THR CG2 C 13 21.881 0.001 . 1 . . . . . 44 THR CG2 . 53480 1
345 . 1 . 1 44 44 THR N N 15 117.941 0.029 . 1 . . . . . 44 THR N . 53480 1
346 . 1 . 1 45 45 ARG H H 1 7.150 0.004 . 1 . . . . . 45 ARG H . 53480 1
347 . 1 . 1 45 45 ARG HA H 1 4.171 0.004 . 1 . . . . . 45 ARG HA . 53480 1
348 . 1 . 1 45 45 ARG HB2 H 1 1.766 0.000 . 2 . . . . . 45 ARG HB2 . 53480 1
349 . 1 . 1 45 45 ARG HB3 H 1 1.110 0.008 . 2 . . . . . 45 ARG HB3 . 53480 1
350 . 1 . 1 45 45 ARG C C 13 175.249 0.005 . 1 . . . . . 45 ARG C . 53480 1
351 . 1 . 1 45 45 ARG CA C 13 55.442 0.065 . 1 . . . . . 45 ARG CA . 53480 1
352 . 1 . 1 45 45 ARG CB C 13 31.881 0.045 . 1 . . . . . 45 ARG CB . 53480 1
353 . 1 . 1 45 45 ARG CG C 13 27.836 0.000 . 1 . . . . . 45 ARG CG . 53480 1
354 . 1 . 1 45 45 ARG CD C 13 42.932 0.000 . 1 . . . . . 45 ARG CD . 53480 1
355 . 1 . 1 45 45 ARG N N 15 118.675 0.073 . 1 . . . . . 45 ARG N . 53480 1
356 . 1 . 1 46 46 ASN H H 1 7.880 0.007 . 1 . . . . . 46 ASN H . 53480 1
357 . 1 . 1 46 46 ASN HA H 1 3.998 0.001 . 1 . . . . . 46 ASN HA . 53480 1
358 . 1 . 1 46 46 ASN HB2 H 1 3.221 0.003 . 2 . . . . . 46 ASN HB2 . 53480 1
359 . 1 . 1 46 46 ASN HB3 H 1 2.525 0.002 . 2 . . . . . 46 ASN HB3 . 53480 1
360 . 1 . 1 46 46 ASN C C 13 173.669 0.010 . 1 . . . . . 46 ASN C . 53480 1
361 . 1 . 1 46 46 ASN CA C 13 53.756 0.089 . 1 . . . . . 46 ASN CA . 53480 1
362 . 1 . 1 46 46 ASN CB C 13 36.516 0.035 . 1 . . . . . 46 ASN CB . 53480 1
363 . 1 . 1 46 46 ASN N N 15 118.036 0.051 . 1 . . . . . 46 ASN N . 53480 1
364 . 1 . 1 47 47 VAL H H 1 6.868 0.002 . 1 . . . . . 47 VAL H . 53480 1
365 . 1 . 1 47 47 VAL HA H 1 4.608 0.003 . 1 . . . . . 47 VAL HA . 53480 1
366 . 1 . 1 47 47 VAL HB H 1 2.025 0.021 . 1 . . . . . 47 VAL HB . 53480 1
367 . 1 . 1 47 47 VAL HG11 H 1 0.761 0.008 . 2 . . . . . 47 VAL QG1 . 53480 1
368 . 1 . 1 47 47 VAL HG12 H 1 0.761 0.008 . 2 . . . . . 47 VAL QG1 . 53480 1
369 . 1 . 1 47 47 VAL HG13 H 1 0.761 0.008 . 2 . . . . . 47 VAL QG1 . 53480 1
370 . 1 . 1 47 47 VAL HG21 H 1 0.761 0.008 . 2 . . . . . 47 VAL QG2 . 53480 1
371 . 1 . 1 47 47 VAL HG22 H 1 0.761 0.008 . 2 . . . . . 47 VAL QG2 . 53480 1
372 . 1 . 1 47 47 VAL HG23 H 1 0.761 0.008 . 2 . . . . . 47 VAL QG2 . 53480 1
373 . 1 . 1 47 47 VAL C C 13 173.080 0.011 . 1 . . . . . 47 VAL C . 53480 1
374 . 1 . 1 47 47 VAL CA C 13 58.934 0.032 . 1 . . . . . 47 VAL CA . 53480 1
375 . 1 . 1 47 47 VAL CB C 13 36.156 0.065 . 1 . . . . . 47 VAL CB . 53480 1
376 . 1 . 1 47 47 VAL CG1 C 13 21.601 0.022 . 2 . . . . . 47 VAL CG1 . 53480 1
377 . 1 . 1 47 47 VAL CG2 C 13 21.601 0.022 . 2 . . . . . 47 VAL CG2 . 53480 1
378 . 1 . 1 47 47 VAL N N 15 109.507 0.030 . 1 . . . . . 47 VAL N . 53480 1
379 . 1 . 1 48 48 TYR H H 1 9.494 0.005 . 1 . . . . . 48 TYR H . 53480 1
380 . 1 . 1 48 48 TYR HA H 1 5.114 0.002 . 1 . . . . . 48 TYR HA . 53480 1
381 . 1 . 1 48 48 TYR HB2 H 1 2.649 0.007 . 2 . . . . . 48 TYR HB2 . 53480 1
382 . 1 . 1 48 48 TYR HB3 H 1 2.350 0.006 . 2 . . . . . 48 TYR HB3 . 53480 1
383 . 1 . 1 48 48 TYR C C 13 175.026 0.007 . 1 . . . . . 48 TYR C . 53480 1
384 . 1 . 1 48 48 TYR CA C 13 57.496 0.067 . 1 . . . . . 48 TYR CA . 53480 1
385 . 1 . 1 48 48 TYR CB C 13 41.007 0.075 . 1 . . . . . 48 TYR CB . 53480 1
386 . 1 . 1 48 48 TYR N N 15 122.175 0.045 . 1 . . . . . 48 TYR N . 53480 1
387 . 1 . 1 49 49 ARG H H 1 9.074 0.007 . 1 . . . . . 49 ARG H . 53480 1
388 . 1 . 1 49 49 ARG HA H 1 5.348 0.004 . 1 . . . . . 49 ARG HA . 53480 1
389 . 1 . 1 49 49 ARG HB2 H 1 1.598 0.011 . 2 . . . . . 49 ARG HB2 . 53480 1
390 . 1 . 1 49 49 ARG HB3 H 1 1.332 0.004 . 2 . . . . . 49 ARG HB3 . 53480 1
391 . 1 . 1 49 49 ARG C C 13 174.778 0.009 . 1 . . . . . 49 ARG C . 53480 1
392 . 1 . 1 49 49 ARG CA C 13 53.965 0.039 . 1 . . . . . 49 ARG CA . 53480 1
393 . 1 . 1 49 49 ARG CB C 13 35.052 0.043 . 1 . . . . . 49 ARG CB . 53480 1
394 . 1 . 1 49 49 ARG CG C 13 27.502 0.000 . 1 . . . . . 49 ARG CG . 53480 1
395 . 1 . 1 49 49 ARG N N 15 118.579 0.042 . 1 . . . . . 49 ARG N . 53480 1
396 . 1 . 1 50 50 ILE H H 1 9.086 0.005 . 1 . . . . . 50 ILE H . 53480 1
397 . 1 . 1 50 50 ILE HA H 1 4.648 0.007 . 1 . . . . . 50 ILE HA . 53480 1
398 . 1 . 1 50 50 ILE HB H 1 1.479 0.005 . 1 . . . . . 50 ILE HB . 53480 1
399 . 1 . 1 50 50 ILE HG21 H 1 0.550 0.008 . 1 . . . . . 50 ILE QG2 . 53480 1
400 . 1 . 1 50 50 ILE HG22 H 1 0.550 0.008 . 1 . . . . . 50 ILE QG2 . 53480 1
401 . 1 . 1 50 50 ILE HG23 H 1 0.550 0.008 . 1 . . . . . 50 ILE QG2 . 53480 1
402 . 1 . 1 50 50 ILE C C 13 174.964 0.000 . 1 . . . . . 50 ILE C . 53480 1
403 . 1 . 1 50 50 ILE CA C 13 60.486 0.065 . 1 . . . . . 50 ILE CA . 53480 1
404 . 1 . 1 50 50 ILE CB C 13 39.408 0.026 . 1 . . . . . 50 ILE CB . 53480 1
405 . 1 . 1 50 50 ILE CG2 C 13 18.294 0.012 . 1 . . . . . 50 ILE CG2 . 53480 1
406 . 1 . 1 50 50 ILE N N 15 122.434 0.039 . 1 . . . . . 50 ILE N . 53480 1
407 . 1 . 1 51 51 ILE H H 1 9.012 0.003 . 1 . . . . . 51 ILE H . 53480 1
408 . 1 . 1 51 51 ILE HA H 1 4.877 0.003 . 1 . . . . . 51 ILE HA . 53480 1
409 . 1 . 1 51 51 ILE HB H 1 1.643 0.002 . 1 . . . . . 51 ILE HB . 53480 1
410 . 1 . 1 51 51 ILE HG21 H 1 0.712 0.003 . 1 . . . . . 51 ILE QG2 . 53480 1
411 . 1 . 1 51 51 ILE HG22 H 1 0.712 0.003 . 1 . . . . . 51 ILE QG2 . 53480 1
412 . 1 . 1 51 51 ILE HG23 H 1 0.712 0.003 . 1 . . . . . 51 ILE QG2 . 53480 1
413 . 1 . 1 51 51 ILE C C 13 175.817 0.005 . 1 . . . . . 51 ILE C . 53480 1
414 . 1 . 1 51 51 ILE CA C 13 58.368 0.054 . 1 . . . . . 51 ILE CA . 53480 1
415 . 1 . 1 51 51 ILE CB C 13 41.786 0.030 . 1 . . . . . 51 ILE CB . 53480 1
416 . 1 . 1 51 51 ILE CG1 C 13 27.151 0.000 . 1 . . . . . 51 ILE CG1 . 53480 1
417 . 1 . 1 51 51 ILE CG2 C 13 16.826 0.018 . 1 . . . . . 51 ILE CG2 . 53480 1
418 . 1 . 1 51 51 ILE CD1 C 13 16.811 0.000 . 1 . . . . . 51 ILE CD1 . 53480 1
419 . 1 . 1 51 51 ILE N N 15 125.383 0.023 . 1 . . . . . 51 ILE N . 53480 1
420 . 1 . 1 52 52 SER H H 1 8.364 0.006 . 1 . . . . . 52 SER H . 53480 1
421 . 1 . 1 52 52 SER HA H 1 4.789 0.001 . 1 . . . . . 52 SER HA . 53480 1
422 . 1 . 1 52 52 SER HB2 H 1 3.607 0.020 . 2 . . . . . 52 SER HB2 . 53480 1
423 . 1 . 1 52 52 SER HB3 H 1 3.335 0.025 . 2 . . . . . 52 SER HB3 . 53480 1
424 . 1 . 1 52 52 SER C C 13 173.296 0.000 . 1 . . . . . 52 SER C . 53480 1
425 . 1 . 1 52 52 SER CA C 13 57.652 0.058 . 1 . . . . . 52 SER CA . 53480 1
426 . 1 . 1 52 52 SER CB C 13 66.207 0.097 . 1 . . . . . 52 SER CB . 53480 1
427 . 1 . 1 52 52 SER N N 15 121.475 0.041 . 1 . . . . . 52 SER N . 53480 1
428 . 1 . 1 53 53 LEU H H 1 9.023 0.003 . 1 . . . . . 53 LEU H . 53480 1
429 . 1 . 1 53 53 LEU HA H 1 5.073 0.002 . 1 . . . . . 53 LEU HA . 53480 1
430 . 1 . 1 53 53 LEU HB2 H 1 1.587 0.003 . 2 . . . . . 53 LEU HB2 . 53480 1
431 . 1 . 1 53 53 LEU HB3 H 1 1.414 0.005 . 2 . . . . . 53 LEU HB3 . 53480 1
432 . 1 . 1 53 53 LEU C C 13 175.541 0.024 . 1 . . . . . 53 LEU C . 53480 1
433 . 1 . 1 53 53 LEU CA C 13 54.174 0.036 . 1 . . . . . 53 LEU CA . 53480 1
434 . 1 . 1 53 53 LEU CB C 13 44.485 0.044 . 1 . . . . . 53 LEU CB . 53480 1
435 . 1 . 1 53 53 LEU N N 15 130.401 0.027 . 1 . . . . . 53 LEU N . 53480 1
436 . 1 . 1 54 54 ASP H H 1 8.731 0.004 . 1 . . . . . 54 ASP H . 53480 1
437 . 1 . 1 54 54 ASP HA H 1 4.796 0.003 . 1 . . . . . 54 ASP HA . 53480 1
438 . 1 . 1 54 54 ASP HB2 H 1 2.766 0.003 . 2 . . . . . 54 ASP HB2 . 53480 1
439 . 1 . 1 54 54 ASP HB3 H 1 2.330 0.005 . 2 . . . . . 54 ASP HB3 . 53480 1
440 . 1 . 1 54 54 ASP C C 13 176.985 0.004 . 1 . . . . . 54 ASP C . 53480 1
441 . 1 . 1 54 54 ASP CA C 13 52.571 0.052 . 1 . . . . . 54 ASP CA . 53480 1
442 . 1 . 1 54 54 ASP CB C 13 42.126 0.041 . 1 . . . . . 54 ASP CB . 53480 1
443 . 1 . 1 54 54 ASP N N 15 120.789 0.048 . 1 . . . . . 54 ASP N . 53480 1
444 . 1 . 1 55 55 GLY H H 1 8.595 0.005 . 1 . . . . . 55 GLY H . 53480 1
445 . 1 . 1 55 55 GLY HA2 H 1 4.037 0.005 . 2 . . . . . 55 GLY HA2 . 53480 1
446 . 1 . 1 55 55 GLY HA3 H 1 3.578 0.007 . 2 . . . . . 55 GLY HA3 . 53480 1
447 . 1 . 1 55 55 GLY CA C 13 46.929 0.053 . 1 . . . . . 55 GLY CA . 53480 1
448 . 1 . 1 55 55 GLY N N 15 115.253 0.037 . 1 . . . . . 55 GLY N . 53480 1
449 . 1 . 1 56 56 SER C C 13 173.603 0.004 . 1 . . . . . 56 SER C . 53480 1
450 . 1 . 1 56 56 SER CA C 13 58.420 0.057 . 1 . . . . . 56 SER CA . 53480 1
451 . 1 . 1 56 56 SER CB C 13 63.701 0.039 . 1 . . . . . 56 SER CB . 53480 1
452 . 1 . 1 57 57 LYS H H 1 7.717 0.004 . 1 . . . . . 57 LYS H . 53480 1
453 . 1 . 1 57 57 LYS HA H 1 4.347 0.002 . 1 . . . . . 57 LYS HA . 53480 1
454 . 1 . 1 57 57 LYS HB2 H 1 1.861 0.005 . 2 . . . . . 57 LYS HB2 . 53480 1
455 . 1 . 1 57 57 LYS HB3 H 1 1.756 0.005 . 2 . . . . . 57 LYS HB3 . 53480 1
456 . 1 . 1 57 57 LYS HG2 H 1 1.344 0.007 . 2 . . . . . 57 LYS HG2 . 53480 1
457 . 1 . 1 57 57 LYS HG3 H 1 1.224 0.005 . 2 . . . . . 57 LYS HG3 . 53480 1
458 . 1 . 1 57 57 LYS HD2 H 1 1.621 0.006 . 2 . . . . . 57 LYS HD2 . 53480 1
459 . 1 . 1 57 57 LYS HD3 H 1 1.621 0.006 . 2 . . . . . 57 LYS HD3 . 53480 1
460 . 1 . 1 57 57 LYS HE2 H 1 2.914 0.004 . 2 . . . . . 57 LYS HE2 . 53480 1
461 . 1 . 1 57 57 LYS HE3 H 1 2.914 0.004 . 2 . . . . . 57 LYS HE3 . 53480 1
462 . 1 . 1 57 57 LYS C C 13 174.935 0.053 . 1 . . . . . 57 LYS C . 53480 1
463 . 1 . 1 57 57 LYS CA C 13 55.230 0.050 . 1 . . . . . 57 LYS CA . 53480 1
464 . 1 . 1 57 57 LYS CB C 13 34.198 0.048 . 1 . . . . . 57 LYS CB . 53480 1
465 . 1 . 1 57 57 LYS CG C 13 24.438 0.064 . 1 . . . . . 57 LYS CG . 53480 1
466 . 1 . 1 57 57 LYS CD C 13 29.139 0.038 . 1 . . . . . 57 LYS CD . 53480 1
467 . 1 . 1 57 57 LYS CE C 13 42.037 0.052 . 1 . . . . . 57 LYS CE . 53480 1
468 . 1 . 1 57 57 LYS N N 15 122.926 0.031 . 1 . . . . . 57 LYS N . 53480 1
469 . 1 . 1 58 58 ALA H H 1 8.718 0.009 . 1 . . . . . 58 ALA H . 53480 1
470 . 1 . 1 58 58 ALA HB1 H 1 1.208 0.002 . 1 . . . . . 58 ALA HB# . 53480 1
471 . 1 . 1 58 58 ALA HB2 H 1 1.208 0.002 . 1 . . . . . 58 ALA HB# . 53480 1
472 . 1 . 1 58 58 ALA HB3 H 1 1.208 0.002 . 1 . . . . . 58 ALA HB# . 53480 1
473 . 1 . 1 58 58 ALA C C 13 177.318 0.011 . 1 . . . . . 58 ALA C . 53480 1
474 . 1 . 1 58 58 ALA CA C 13 52.111 0.054 . 1 . . . . . 58 ALA CA . 53480 1
475 . 1 . 1 58 58 ALA CB C 13 17.194 0.011 . 1 . . . . . 58 ALA CB . 53480 1
476 . 1 . 1 58 58 ALA N N 15 128.175 0.090 . 1 . . . . . 58 ALA N . 53480 1
477 . 1 . 1 59 59 ILE H H 1 8.579 0.002 . 1 . . . . . 59 ILE H . 53480 1
478 . 1 . 1 59 59 ILE HA H 1 4.085 0.000 . 1 . . . . . 59 ILE HA . 53480 1
479 . 1 . 1 59 59 ILE C C 13 176.431 0.017 . 1 . . . . . 59 ILE C . 53480 1
480 . 1 . 1 59 59 ILE CA C 13 62.568 0.060 . 1 . . . . . 59 ILE CA . 53480 1
481 . 1 . 1 59 59 ILE CB C 13 38.595 0.041 . 1 . . . . . 59 ILE CB . 53480 1
482 . 1 . 1 59 59 ILE CG1 C 13 26.691 0.000 . 1 . . . . . 59 ILE CG1 . 53480 1
483 . 1 . 1 59 59 ILE CD1 C 13 18.508 0.000 . 1 . . . . . 59 ILE CD1 . 53480 1
484 . 1 . 1 59 59 ILE N N 15 121.716 0.000 . 1 . . . . . 59 ILE N . 53480 1
485 . 1 . 1 60 60 ILE H H 1 7.601 0.006 . 1 . . . . . 60 ILE H . 53480 1
486 . 1 . 1 60 60 ILE HA H 1 3.822 0.002 . 1 . . . . . 60 ILE HA . 53480 1
487 . 1 . 1 60 60 ILE HB H 1 1.230 0.010 . 1 . . . . . 60 ILE HB . 53480 1
488 . 1 . 1 60 60 ILE HG21 H 1 0.407 0.001 . 1 . . . . . 60 ILE QG2 . 53480 1
489 . 1 . 1 60 60 ILE HG22 H 1 0.407 0.001 . 1 . . . . . 60 ILE QG2 . 53480 1
490 . 1 . 1 60 60 ILE HG23 H 1 0.407 0.001 . 1 . . . . . 60 ILE QG2 . 53480 1
491 . 1 . 1 60 60 ILE C C 13 174.909 0.003 . 1 . . . . . 60 ILE C . 53480 1
492 . 1 . 1 60 60 ILE CA C 13 62.564 0.051 . 1 . . . . . 60 ILE CA . 53480 1
493 . 1 . 1 60 60 ILE CB C 13 42.455 0.043 . 1 . . . . . 60 ILE CB . 53480 1
494 . 1 . 1 60 60 ILE CG2 C 13 16.562 0.008 . 1 . . . . . 60 ILE CG2 . 53480 1
495 . 1 . 1 60 60 ILE N N 15 117.620 0.037 . 1 . . . . . 60 ILE N . 53480 1
496 . 1 . 1 61 61 ASN H H 1 7.636 0.007 . 1 . . . . . 61 ASN H . 53480 1
497 . 1 . 1 61 61 ASN HA H 1 5.052 0.008 . 1 . . . . . 61 ASN HA . 53480 1
498 . 1 . 1 61 61 ASN HB2 H 1 2.862 0.002 . 2 . . . . . 61 ASN HB2 . 53480 1
499 . 1 . 1 61 61 ASN HB3 H 1 2.435 0.003 . 2 . . . . . 61 ASN HB3 . 53480 1
500 . 1 . 1 61 61 ASN C C 13 174.438 0.018 . 1 . . . . . 61 ASN C . 53480 1
501 . 1 . 1 61 61 ASN CA C 13 53.222 0.067 . 1 . . . . . 61 ASN CA . 53480 1
502 . 1 . 1 61 61 ASN CB C 13 37.788 0.032 . 1 . . . . . 61 ASN CB . 53480 1
503 . 1 . 1 61 61 ASN N N 15 124.065 0.072 . 1 . . . . . 61 ASN N . 53480 1
504 . 1 . 1 62 62 SER H H 1 8.998 0.005 . 1 . . . . . 62 SER H . 53480 1
505 . 1 . 1 62 62 SER HA H 1 5.107 0.003 . 1 . . . . . 62 SER HA . 53480 1
506 . 1 . 1 62 62 SER HB2 H 1 4.022 0.005 . 2 . . . . . 62 SER HB2 . 53480 1
507 . 1 . 1 62 62 SER HB3 H 1 3.753 0.001 . 2 . . . . . 62 SER HB3 . 53480 1
508 . 1 . 1 62 62 SER C C 13 174.612 0.021 . 1 . . . . . 62 SER C . 53480 1
509 . 1 . 1 62 62 SER CA C 13 56.863 0.028 . 1 . . . . . 62 SER CA . 53480 1
510 . 1 . 1 62 62 SER CB C 13 66.174 0.029 . 1 . . . . . 62 SER CB . 53480 1
511 . 1 . 1 62 62 SER N N 15 119.034 0.020 . 1 . . . . . 62 SER N . 53480 1
512 . 1 . 1 63 63 THR H H 1 9.017 0.006 . 1 . . . . . 63 THR H . 53480 1
513 . 1 . 1 63 63 THR HA H 1 4.525 0.008 . 1 . . . . . 63 THR HA . 53480 1
514 . 1 . 1 63 63 THR HB H 1 4.046 0.006 . 1 . . . . . 63 THR HB . 53480 1
515 . 1 . 1 63 63 THR C C 13 173.733 0.018 . 1 . . . . . 63 THR C . 53480 1
516 . 1 . 1 63 63 THR CA C 13 63.288 0.046 . 1 . . . . . 63 THR CA . 53480 1
517 . 1 . 1 63 63 THR CB C 13 69.463 0.044 . 1 . . . . . 63 THR CB . 53480 1
518 . 1 . 1 63 63 THR CG2 C 13 21.586 0.000 . 1 . . . . . 63 THR CG2 . 53480 1
519 . 1 . 1 63 63 THR N N 15 126.391 0.056 . 1 . . . . . 63 THR N . 53480 1
520 . 1 . 1 64 64 ILE H H 1 8.613 0.002 . 1 . . . . . 64 ILE H . 53480 1
521 . 1 . 1 64 64 ILE HA H 1 4.318 0.016 . 1 . . . . . 64 ILE HA . 53480 1
522 . 1 . 1 64 64 ILE HB H 1 1.676 0.013 . 1 . . . . . 64 ILE HB . 53480 1
523 . 1 . 1 64 64 ILE C C 13 175.966 0.012 . 1 . . . . . 64 ILE C . 53480 1
524 . 1 . 1 64 64 ILE CA C 13 62.457 0.028 . 1 . . . . . 64 ILE CA . 53480 1
525 . 1 . 1 64 64 ILE CB C 13 37.260 0.065 . 1 . . . . . 64 ILE CB . 53480 1
526 . 1 . 1 64 64 ILE N N 15 127.098 0.050 . 1 . . . . . 64 ILE N . 53480 1
527 . 1 . 1 65 65 THR H H 1 7.921 0.005 . 1 . . . . . 65 THR H . 53480 1
528 . 1 . 1 65 65 THR HA H 1 5.010 0.004 . 1 . . . . . 65 THR HA . 53480 1
529 . 1 . 1 65 65 THR HB H 1 4.134 0.000 . 1 . . . . . 65 THR HB . 53480 1
530 . 1 . 1 65 65 THR C C 13 173.487 0.000 . 1 . . . . . 65 THR C . 53480 1
531 . 1 . 1 65 65 THR CA C 13 58.479 0.015 . 1 . . . . . 65 THR CA . 53480 1
532 . 1 . 1 65 65 THR CB C 13 69.334 0.000 . 1 . . . . . 65 THR CB . 53480 1
533 . 1 . 1 65 65 THR N N 15 120.286 0.027 . 1 . . . . . 65 THR N . 53480 1
534 . 1 . 1 67 67 ASN C C 13 175.388 0.018 . 1 . . . . . 67 ASN C . 53480 1
535 . 1 . 1 67 67 ASN CA C 13 52.769 0.020 . 1 . . . . . 67 ASN CA . 53480 1
536 . 1 . 1 67 67 ASN CB C 13 38.540 0.084 . 1 . . . . . 67 ASN CB . 53480 1
537 . 1 . 1 68 68 MET H H 1 7.519 0.003 . 1 . . . . . 68 MET H . 53480 1
538 . 1 . 1 68 68 MET HA H 1 4.701 0.000 . 1 . . . . . 68 MET HA . 53480 1
539 . 1 . 1 68 68 MET HB2 H 1 2.307 0.033 . 2 . . . . . 68 MET HB2 . 53480 1
540 . 1 . 1 68 68 MET HB3 H 1 2.289 0.003 . 2 . . . . . 68 MET HB3 . 53480 1
541 . 1 . 1 68 68 MET C C 13 175.373 0.000 . 1 . . . . . 68 MET C . 53480 1
542 . 1 . 1 68 68 MET CA C 13 57.138 0.041 . 1 . . . . . 68 MET CA . 53480 1
543 . 1 . 1 68 68 MET CB C 13 36.208 0.029 . 1 . . . . . 68 MET CB . 53480 1
544 . 1 . 1 68 68 MET N N 15 121.531 0.027 . 1 . . . . . 68 MET N . 53480 1
545 . 1 . 1 69 69 THR H H 1 8.724 0.004 . 1 . . . . . 69 THR H . 53480 1
546 . 1 . 1 69 69 THR HA H 1 4.536 0.010 . 1 . . . . . 69 THR HA . 53480 1
547 . 1 . 1 69 69 THR HB H 1 3.898 0.019 . 1 . . . . . 69 THR HB . 53480 1
548 . 1 . 1 69 69 THR HG21 H 1 1.092 0.012 . 1 . . . . . 69 THR QG2 . 53480 1
549 . 1 . 1 69 69 THR HG22 H 1 1.092 0.012 . 1 . . . . . 69 THR QG2 . 53480 1
550 . 1 . 1 69 69 THR HG23 H 1 1.092 0.012 . 1 . . . . . 69 THR QG2 . 53480 1
551 . 1 . 1 69 69 THR C C 13 171.889 0.001 . 1 . . . . . 69 THR C . 53480 1
552 . 1 . 1 69 69 THR CA C 13 61.774 0.054 . 1 . . . . . 69 THR CA . 53480 1
553 . 1 . 1 69 69 THR CB C 13 72.205 0.082 . 1 . . . . . 69 THR CB . 53480 1
554 . 1 . 1 69 69 THR CG2 C 13 21.427 0.064 . 1 . . . . . 69 THR CG2 . 53480 1
555 . 1 . 1 69 69 THR N N 15 115.560 0.056 . 1 . . . . . 69 THR N . 53480 1
556 . 1 . 1 70 70 PHE H H 1 8.498 0.004 . 1 . . . . . 70 PHE H . 53480 1
557 . 1 . 1 70 70 PHE HA H 1 4.885 0.002 . 1 . . . . . 70 PHE HA . 53480 1
558 . 1 . 1 70 70 PHE HB2 H 1 2.506 0.001 . 2 . . . . . 70 PHE HB2 . 53480 1
559 . 1 . 1 70 70 PHE HB3 H 1 0.872 0.020 . 2 . . . . . 70 PHE HB3 . 53480 1
560 . 1 . 1 70 70 PHE C C 13 174.972 0.006 . 1 . . . . . 70 PHE C . 53480 1
561 . 1 . 1 70 70 PHE CA C 13 56.621 0.076 . 1 . . . . . 70 PHE CA . 53480 1
562 . 1 . 1 70 70 PHE CB C 13 38.684 0.036 . 1 . . . . . 70 PHE CB . 53480 1
563 . 1 . 1 70 70 PHE N N 15 129.225 0.049 . 1 . . . . . 70 PHE N . 53480 1
564 . 1 . 1 71 71 THR H H 1 8.821 0.004 . 1 . . . . . 71 THR H . 53480 1
565 . 1 . 1 71 71 THR HA H 1 4.341 0.003 . 1 . . . . . 71 THR HA . 53480 1
566 . 1 . 1 71 71 THR HB H 1 3.679 0.005 . 1 . . . . . 71 THR HB . 53480 1
567 . 1 . 1 71 71 THR HG21 H 1 1.011 0.002 . 1 . . . . . 71 THR QG2 . 53480 1
568 . 1 . 1 71 71 THR HG22 H 1 1.011 0.002 . 1 . . . . . 71 THR QG2 . 53480 1
569 . 1 . 1 71 71 THR HG23 H 1 1.011 0.002 . 1 . . . . . 71 THR QG2 . 53480 1
570 . 1 . 1 71 71 THR C C 13 172.846 0.008 . 1 . . . . . 71 THR C . 53480 1
571 . 1 . 1 71 71 THR CA C 13 60.998 0.057 . 1 . . . . . 71 THR CA . 53480 1
572 . 1 . 1 71 71 THR CB C 13 70.662 0.052 . 1 . . . . . 71 THR CB . 53480 1
573 . 1 . 1 71 71 THR CG2 C 13 21.556 0.016 . 1 . . . . . 71 THR CG2 . 53480 1
574 . 1 . 1 71 71 THR N N 15 124.900 0.053 . 1 . . . . . 71 THR N . 53480 1
575 . 1 . 1 72 72 LYS H H 1 8.728 0.001 . 1 . . . . . 72 LYS H . 53480 1
576 . 1 . 1 72 72 LYS HA H 1 4.477 0.000 . 1 . . . . . 72 LYS HA . 53480 1
577 . 1 . 1 72 72 LYS C C 13 175.860 0.000 . 1 . . . . . 72 LYS C . 53480 1
578 . 1 . 1 72 72 LYS CA C 13 56.125 0.082 . 1 . . . . . 72 LYS CA . 53480 1
579 . 1 . 1 72 72 LYS CB C 13 31.984 0.051 . 1 . . . . . 72 LYS CB . 53480 1
580 . 1 . 1 72 72 LYS CG C 13 24.722 0.000 . 1 . . . . . 72 LYS CG . 53480 1
581 . 1 . 1 72 72 LYS N N 15 126.662 0.001 . 1 . . . . . 72 LYS N . 53480 1
582 . 1 . 1 73 73 THR H H 1 8.552 0.003 . 1 . . . . . 73 THR H . 53480 1
583 . 1 . 1 73 73 THR HA H 1 4.248 0.006 . 1 . . . . . 73 THR HA . 53480 1
584 . 1 . 1 73 73 THR C C 13 174.194 0.022 . 1 . . . . . 73 THR C . 53480 1
585 . 1 . 1 73 73 THR CA C 13 63.511 0.062 . 1 . . . . . 73 THR CA . 53480 1
586 . 1 . 1 73 73 THR CB C 13 69.306 0.089 . 1 . . . . . 73 THR CB . 53480 1
587 . 1 . 1 73 73 THR CG2 C 13 22.199 0.000 . 1 . . . . . 73 THR CG2 . 53480 1
588 . 1 . 1 73 73 THR N N 15 121.176 0.072 . 1 . . . . . 73 THR N . 53480 1
589 . 1 . 1 74 74 SER H H 1 8.445 0.003 . 1 . . . . . 74 SER H . 53480 1
590 . 1 . 1 74 74 SER HA H 1 4.522 0.003 . 1 . . . . . 74 SER HA . 53480 1
591 . 1 . 1 74 74 SER HB2 H 1 4.058 0.010 . 2 . . . . . 74 SER HB2 . 53480 1
592 . 1 . 1 74 74 SER HB3 H 1 3.852 0.004 . 2 . . . . . 74 SER HB3 . 53480 1
593 . 1 . 1 74 74 SER C C 13 173.730 0.000 . 1 . . . . . 74 SER C . 53480 1
594 . 1 . 1 74 74 SER CA C 13 57.300 0.028 . 1 . . . . . 74 SER CA . 53480 1
595 . 1 . 1 74 74 SER CB C 13 63.615 0.030 . 1 . . . . . 74 SER CB . 53480 1
596 . 1 . 1 74 74 SER N N 15 115.961 0.039 . 1 . . . . . 74 SER N . 53480 1
597 . 1 . 1 76 76 LYS C C 13 174.072 0.000 . 1 . . . . . 76 LYS C . 53480 1
598 . 1 . 1 76 76 LYS CA C 13 55.476 0.006 . 1 . . . . . 76 LYS CA . 53480 1
599 . 1 . 1 77 77 PHE H H 1 7.402 0.003 . 1 . . . . . 77 PHE H . 53480 1
600 . 1 . 1 77 77 PHE HA H 1 5.968 0.002 . 1 . . . . . 77 PHE HA . 53480 1
601 . 1 . 1 77 77 PHE HB2 H 1 2.956 0.001 . 2 . . . . . 77 PHE HB2 . 53480 1
602 . 1 . 1 77 77 PHE HB3 H 1 2.790 0.009 . 2 . . . . . 77 PHE HB3 . 53480 1
603 . 1 . 1 77 77 PHE C C 13 174.316 0.002 . 1 . . . . . 77 PHE C . 53480 1
604 . 1 . 1 77 77 PHE CA C 13 56.385 0.055 . 1 . . . . . 77 PHE CA . 53480 1
605 . 1 . 1 77 77 PHE CB C 13 43.792 0.032 . 1 . . . . . 77 PHE CB . 53480 1
606 . 1 . 1 77 77 PHE N N 15 123.662 0.052 . 1 . . . . . 77 PHE N . 53480 1
607 . 1 . 1 78 78 GLY H H 1 7.994 0.003 . 1 . . . . . 78 GLY H . 53480 1
608 . 1 . 1 78 78 GLY HA2 H 1 4.803 0.002 . 2 . . . . . 78 GLY HA2 . 53480 1
609 . 1 . 1 78 78 GLY HA3 H 1 3.501 0.003 . 2 . . . . . 78 GLY HA3 . 53480 1
610 . 1 . 1 78 78 GLY C C 13 169.609 0.000 . 1 . . . . . 78 GLY C . 53480 1
611 . 1 . 1 78 78 GLY CA C 13 45.386 0.048 . 1 . . . . . 78 GLY CA . 53480 1
612 . 1 . 1 78 78 GLY N N 15 112.553 0.036 . 1 . . . . . 78 GLY N . 53480 1
613 . 1 . 1 79 79 GLN H H 1 7.960 0.005 . 1 . . . . . 79 GLN H . 53480 1
614 . 1 . 1 79 79 GLN HA H 1 5.801 0.002 . 1 . . . . . 79 GLN HA . 53480 1
615 . 1 . 1 79 79 GLN C C 13 173.670 0.011 . 1 . . . . . 79 GLN C . 53480 1
616 . 1 . 1 79 79 GLN CA C 13 53.629 0.021 . 1 . . . . . 79 GLN CA . 53480 1
617 . 1 . 1 79 79 GLN CB C 13 35.510 0.040 . 1 . . . . . 79 GLN CB . 53480 1
618 . 1 . 1 79 79 GLN N N 15 113.414 0.038 . 1 . . . . . 79 GLN N . 53480 1
619 . 1 . 1 80 80 TRP H H 1 8.950 0.005 . 1 . . . . . 80 TRP H . 53480 1
620 . 1 . 1 80 80 TRP HA H 1 5.217 0.003 . 1 . . . . . 80 TRP HA . 53480 1
621 . 1 . 1 80 80 TRP HB2 H 1 3.326 0.003 . 2 . . . . . 80 TRP HB2 . 53480 1
622 . 1 . 1 80 80 TRP HB3 H 1 2.527 0.023 . 2 . . . . . 80 TRP HB3 . 53480 1
623 . 1 . 1 80 80 TRP C C 13 171.843 0.008 . 1 . . . . . 80 TRP C . 53480 1
624 . 1 . 1 80 80 TRP CA C 13 58.150 0.066 . 1 . . . . . 80 TRP CA . 53480 1
625 . 1 . 1 80 80 TRP CB C 13 34.618 0.022 . 1 . . . . . 80 TRP CB . 53480 1
626 . 1 . 1 80 80 TRP N N 15 119.196 0.026 . 1 . . . . . 80 TRP N . 53480 1
627 . 1 . 1 81 81 ALA H H 1 8.563 0.005 . 1 . . . . . 81 ALA H . 53480 1
628 . 1 . 1 81 81 ALA HA H 1 4.744 0.003 . 1 . . . . . 81 ALA HA . 53480 1
629 . 1 . 1 81 81 ALA HB1 H 1 1.462 0.002 . 1 . . . . . 81 ALA HB# . 53480 1
630 . 1 . 1 81 81 ALA HB2 H 1 1.462 0.002 . 1 . . . . . 81 ALA HB# . 53480 1
631 . 1 . 1 81 81 ALA HB3 H 1 1.462 0.002 . 1 . . . . . 81 ALA HB# . 53480 1
632 . 1 . 1 81 81 ALA C C 13 177.216 0.010 . 1 . . . . . 81 ALA C . 53480 1
633 . 1 . 1 81 81 ALA CA C 13 51.105 0.065 . 1 . . . . . 81 ALA CA . 53480 1
634 . 1 . 1 81 81 ALA CB C 13 20.393 0.043 . 1 . . . . . 81 ALA CB . 53480 1
635 . 1 . 1 81 81 ALA N N 15 122.504 0.031 . 1 . . . . . 81 ALA N . 53480 1
636 . 1 . 1 82 82 ASP H H 1 8.458 0.004 . 1 . . . . . 82 ASP H . 53480 1
637 . 1 . 1 82 82 ASP HA H 1 5.122 0.001 . 1 . . . . . 82 ASP HA . 53480 1
638 . 1 . 1 82 82 ASP HB2 H 1 3.005 0.003 . 2 . . . . . 82 ASP HB2 . 53480 1
639 . 1 . 1 82 82 ASP HB3 H 1 2.539 0.015 . 2 . . . . . 82 ASP HB3 . 53480 1
640 . 1 . 1 82 82 ASP CA C 13 52.805 0.086 . 1 . . . . . 82 ASP CA . 53480 1
641 . 1 . 1 82 82 ASP CB C 13 43.920 0.039 . 1 . . . . . 82 ASP CB . 53480 1
642 . 1 . 1 82 82 ASP N N 15 122.125 0.038 . 1 . . . . . 82 ASP N . 53480 1
643 . 1 . 1 83 83 SER C C 13 176.585 0.000 . 1 . . . . . 83 SER C . 53480 1
644 . 1 . 1 83 83 SER CA C 13 60.957 0.052 . 1 . . . . . 83 SER CA . 53480 1
645 . 1 . 1 83 83 SER CB C 13 62.998 0.084 . 1 . . . . . 83 SER CB . 53480 1
646 . 1 . 1 84 84 ARG H H 1 8.394 0.005 . 1 . . . . . 84 ARG H . 53480 1
647 . 1 . 1 84 84 ARG HA H 1 4.179 0.002 . 1 . . . . . 84 ARG HA . 53480 1
648 . 1 . 1 84 84 ARG HB2 H 1 2.029 0.010 . 2 . . . . . 84 ARG HB2 . 53480 1
649 . 1 . 1 84 84 ARG HB3 H 1 2.036 0.001 . 2 . . . . . 84 ARG HB3 . 53480 1
650 . 1 . 1 84 84 ARG C C 13 177.767 0.000 . 1 . . . . . 84 ARG C . 53480 1
651 . 1 . 1 84 84 ARG CA C 13 58.574 0.034 . 1 . . . . . 84 ARG CA . 53480 1
652 . 1 . 1 84 84 ARG CB C 13 29.564 0.049 . 1 . . . . . 84 ARG CB . 53480 1
653 . 1 . 1 84 84 ARG CG C 13 27.200 0.000 . 1 . . . . . 84 ARG CG . 53480 1
654 . 1 . 1 84 84 ARG CD C 13 43.024 0.000 . 1 . . . . . 84 ARG CD . 53480 1
655 . 1 . 1 84 84 ARG N N 15 124.097 0.052 . 1 . . . . . 84 ARG N . 53480 1
656 . 1 . 1 85 85 ALA H H 1 7.902 0.005 . 1 . . . . . 85 ALA H . 53480 1
657 . 1 . 1 85 85 ALA HA H 1 4.285 0.002 . 1 . . . . . 85 ALA HA . 53480 1
658 . 1 . 1 85 85 ALA HB1 H 1 1.356 0.003 . 1 . . . . . 85 ALA HB# . 53480 1
659 . 1 . 1 85 85 ALA HB2 H 1 1.356 0.003 . 1 . . . . . 85 ALA HB# . 53480 1
660 . 1 . 1 85 85 ALA HB3 H 1 1.356 0.003 . 1 . . . . . 85 ALA HB# . 53480 1
661 . 1 . 1 85 85 ALA C C 13 176.816 0.004 . 1 . . . . . 85 ALA C . 53480 1
662 . 1 . 1 85 85 ALA CA C 13 51.690 0.035 . 1 . . . . . 85 ALA CA . 53480 1
663 . 1 . 1 85 85 ALA CB C 13 19.466 0.069 . 1 . . . . . 85 ALA CB . 53480 1
664 . 1 . 1 85 85 ALA N N 15 120.417 0.035 . 1 . . . . . 85 ALA N . 53480 1
665 . 1 . 1 86 86 ASN H H 1 7.910 0.003 . 1 . . . . . 86 ASN H . 53480 1
666 . 1 . 1 86 86 ASN HA H 1 4.274 0.003 . 1 . . . . . 86 ASN HA . 53480 1
667 . 1 . 1 86 86 ASN HB2 H 1 3.123 0.005 . 2 . . . . . 86 ASN HB2 . 53480 1
668 . 1 . 1 86 86 ASN HB3 H 1 2.489 0.003 . 2 . . . . . 86 ASN HB3 . 53480 1
669 . 1 . 1 86 86 ASN C C 13 173.668 0.015 . 1 . . . . . 86 ASN C . 53480 1
670 . 1 . 1 86 86 ASN CA C 13 53.431 0.048 . 1 . . . . . 86 ASN CA . 53480 1
671 . 1 . 1 86 86 ASN CB C 13 37.075 0.011 . 1 . . . . . 86 ASN CB . 53480 1
672 . 1 . 1 86 86 ASN N N 15 116.614 0.026 . 1 . . . . . 86 ASN N . 53480 1
673 . 1 . 1 87 87 THR H H 1 7.661 0.003 . 1 . . . . . 87 THR H . 53480 1
674 . 1 . 1 87 87 THR HA H 1 4.413 0.003 . 1 . . . . . 87 THR HA . 53480 1
675 . 1 . 1 87 87 THR HB H 1 3.595 0.005 . 1 . . . . . 87 THR HB . 53480 1
676 . 1 . 1 87 87 THR HG21 H 1 0.242 0.003 . 1 . . . . . 87 THR QG2 . 53480 1
677 . 1 . 1 87 87 THR HG22 H 1 0.242 0.003 . 1 . . . . . 87 THR QG2 . 53480 1
678 . 1 . 1 87 87 THR HG23 H 1 0.242 0.003 . 1 . . . . . 87 THR QG2 . 53480 1
679 . 1 . 1 87 87 THR C C 13 172.063 0.008 . 1 . . . . . 87 THR C . 53480 1
680 . 1 . 1 87 87 THR CA C 13 60.131 0.051 . 1 . . . . . 87 THR CA . 53480 1
681 . 1 . 1 87 87 THR CB C 13 69.978 0.043 . 1 . . . . . 87 THR CB . 53480 1
682 . 1 . 1 87 87 THR CG2 C 13 18.016 0.038 . 1 . . . . . 87 THR CG2 . 53480 1
683 . 1 . 1 87 87 THR N N 15 110.071 0.018 . 1 . . . . . 87 THR N . 53480 1
684 . 1 . 1 88 88 VAL H H 1 7.816 0.004 . 1 . . . . . 88 VAL H . 53480 1
685 . 1 . 1 88 88 VAL HA H 1 4.267 0.002 . 1 . . . . . 88 VAL HA . 53480 1
686 . 1 . 1 88 88 VAL HB H 1 1.549 0.004 . 1 . . . . . 88 VAL HB . 53480 1
687 . 1 . 1 88 88 VAL HG11 H 1 0.710 0.016 . 2 . . . . . 88 VAL QG1 . 53480 1
688 . 1 . 1 88 88 VAL HG12 H 1 0.710 0.016 . 2 . . . . . 88 VAL QG1 . 53480 1
689 . 1 . 1 88 88 VAL HG13 H 1 0.710 0.016 . 2 . . . . . 88 VAL QG1 . 53480 1
690 . 1 . 1 88 88 VAL HG21 H 1 0.710 0.016 . 2 . . . . . 88 VAL QG2 . 53480 1
691 . 1 . 1 88 88 VAL HG22 H 1 0.710 0.016 . 2 . . . . . 88 VAL QG2 . 53480 1
692 . 1 . 1 88 88 VAL HG23 H 1 0.710 0.016 . 2 . . . . . 88 VAL QG2 . 53480 1
693 . 1 . 1 88 88 VAL C C 13 174.499 0.012 . 1 . . . . . 88 VAL C . 53480 1
694 . 1 . 1 88 88 VAL CA C 13 61.556 0.065 . 1 . . . . . 88 VAL CA . 53480 1
695 . 1 . 1 88 88 VAL CB C 13 34.054 0.080 . 1 . . . . . 88 VAL CB . 53480 1
696 . 1 . 1 88 88 VAL CG1 C 13 20.929 0.070 . 2 . . . . . 88 VAL CG1 . 53480 1
697 . 1 . 1 88 88 VAL CG2 C 13 20.929 0.070 . 2 . . . . . 88 VAL CG2 . 53480 1
698 . 1 . 1 88 88 VAL N N 15 124.645 0.023 . 1 . . . . . 88 VAL N . 53480 1
699 . 1 . 1 89 89 TYR H H 1 8.272 0.004 . 1 . . . . . 89 TYR H . 53480 1
700 . 1 . 1 89 89 TYR HA H 1 4.871 0.001 . 1 . . . . . 89 TYR HA . 53480 1
701 . 1 . 1 89 89 TYR HB2 H 1 1.976 0.008 . 2 . . . . . 89 TYR HB2 . 53480 1
702 . 1 . 1 89 89 TYR HB3 H 1 0.673 0.001 . 2 . . . . . 89 TYR HB3 . 53480 1
703 . 1 . 1 89 89 TYR C C 13 174.176 0.005 . 1 . . . . . 89 TYR C . 53480 1
704 . 1 . 1 89 89 TYR CA C 13 57.509 0.081 . 1 . . . . . 89 TYR CA . 53480 1
705 . 1 . 1 89 89 TYR CB C 13 39.945 0.061 . 1 . . . . . 89 TYR CB . 53480 1
706 . 1 . 1 89 89 TYR N N 15 125.402 0.029 . 1 . . . . . 89 TYR N . 53480 1
707 . 1 . 1 90 90 GLY H H 1 8.631 0.004 . 1 . . . . . 90 GLY H . 53480 1
708 . 1 . 1 90 90 GLY HA2 H 1 4.509 0.001 . 2 . . . . . 90 GLY HA2 . 53480 1
709 . 1 . 1 90 90 GLY HA3 H 1 2.418 0.020 . 2 . . . . . 90 GLY HA3 . 53480 1
710 . 1 . 1 90 90 GLY C C 13 170.906 0.013 . 1 . . . . . 90 GLY C . 53480 1
711 . 1 . 1 90 90 GLY CA C 13 44.099 0.046 . 1 . . . . . 90 GLY CA . 53480 1
712 . 1 . 1 90 90 GLY N N 15 107.810 0.058 . 1 . . . . . 90 GLY N . 53480 1
713 . 1 . 1 91 91 LEU H H 1 8.260 0.004 . 1 . . . . . 91 LEU H . 53480 1
714 . 1 . 1 91 91 LEU HA H 1 5.104 0.002 . 1 . . . . . 91 LEU HA . 53480 1
715 . 1 . 1 91 91 LEU HB2 H 1 1.207 0.008 . 2 . . . . . 91 LEU HB2 . 53480 1
716 . 1 . 1 91 91 LEU HB3 H 1 0.117 0.004 . 2 . . . . . 91 LEU HB3 . 53480 1
717 . 1 . 1 91 91 LEU C C 13 173.671 0.005 . 1 . . . . . 91 LEU C . 53480 1
718 . 1 . 1 91 91 LEU CA C 13 52.159 0.057 . 1 . . . . . 91 LEU CA . 53480 1
719 . 1 . 1 91 91 LEU CB C 13 46.104 0.046 . 1 . . . . . 91 LEU CB . 53480 1
720 . 1 . 1 91 91 LEU N N 15 121.742 0.041 . 1 . . . . . 91 LEU N . 53480 1
721 . 1 . 1 92 92 GLY H H 1 9.049 0.004 . 1 . . . . . 92 GLY H . 53480 1
722 . 1 . 1 92 92 GLY HA2 H 1 4.930 0.007 . 2 . . . . . 92 GLY HA2 . 53480 1
723 . 1 . 1 92 92 GLY HA3 H 1 3.637 0.003 . 2 . . . . . 92 GLY HA3 . 53480 1
724 . 1 . 1 92 92 GLY C C 13 174.348 0.000 . 1 . . . . . 92 GLY C . 53480 1
725 . 1 . 1 92 92 GLY CA C 13 44.784 0.084 . 1 . . . . . 92 GLY CA . 53480 1
726 . 1 . 1 92 92 GLY N N 15 106.165 0.073 . 1 . . . . . 92 GLY N . 53480 1
727 . 1 . 1 93 93 PHE H H 1 9.258 0.002 . 1 . . . . . 93 PHE H . 53480 1
728 . 1 . 1 93 93 PHE HA H 1 4.707 0.000 . 1 . . . . . 93 PHE HA . 53480 1
729 . 1 . 1 93 93 PHE HB2 H 1 3.497 0.022 . 2 . . . . . 93 PHE HB2 . 53480 1
730 . 1 . 1 93 93 PHE HB3 H 1 2.786 0.001 . 2 . . . . . 93 PHE HB3 . 53480 1
731 . 1 . 1 93 93 PHE C C 13 176.070 0.000 . 1 . . . . . 93 PHE C . 53480 1
732 . 1 . 1 93 93 PHE CA C 13 57.917 0.040 . 1 . . . . . 93 PHE CA . 53480 1
733 . 1 . 1 93 93 PHE CB C 13 42.422 0.027 . 1 . . . . . 93 PHE CB . 53480 1
734 . 1 . 1 93 93 PHE N N 15 124.633 0.050 . 1 . . . . . 93 PHE N . 53480 1
735 . 1 . 1 94 94 SER C C 13 174.885 0.000 . 1 . . . . . 94 SER C . 53480 1
736 . 1 . 1 94 94 SER CA C 13 60.132 0.030 . 1 . . . . . 94 SER CA . 53480 1
737 . 1 . 1 94 94 SER CB C 13 63.475 0.015 . 1 . . . . . 94 SER CB . 53480 1
738 . 1 . 1 95 95 SER H H 1 7.473 0.001 . 1 . . . . . 95 SER H . 53480 1
739 . 1 . 1 95 95 SER HA H 1 4.647 0.002 . 1 . . . . . 95 SER HA . 53480 1
740 . 1 . 1 95 95 SER HB2 H 1 3.920 0.002 . 2 . . . . . 95 SER HB2 . 53480 1
741 . 1 . 1 95 95 SER HB3 H 1 3.819 0.003 . 2 . . . . . 95 SER HB3 . 53480 1
742 . 1 . 1 95 95 SER C C 13 173.775 0.000 . 1 . . . . . 95 SER C . 53480 1
743 . 1 . 1 95 95 SER CA C 13 56.719 0.059 . 1 . . . . . 95 SER CA . 53480 1
744 . 1 . 1 95 95 SER CB C 13 66.185 0.068 . 1 . . . . . 95 SER CB . 53480 1
745 . 1 . 1 95 95 SER N N 15 112.274 0.097 . 1 . . . . . 95 SER N . 53480 1
746 . 1 . 1 97 97 HIS C C 13 177.567 0.011 . 1 . . . . . 97 HIS C . 53480 1
747 . 1 . 1 97 97 HIS CA C 13 59.733 0.082 . 1 . . . . . 97 HIS CA . 53480 1
748 . 1 . 1 97 97 HIS CB C 13 30.161 0.067 . 1 . . . . . 97 HIS CB . 53480 1
749 . 1 . 1 98 98 HIS H H 1 7.421 0.005 . 1 . . . . . 98 HIS H . 53480 1
750 . 1 . 1 98 98 HIS HA H 1 4.286 0.004 . 1 . . . . . 98 HIS HA . 53480 1
751 . 1 . 1 98 98 HIS HB2 H 1 3.384 0.002 . 2 . . . . . 98 HIS HB2 . 53480 1
752 . 1 . 1 98 98 HIS HB3 H 1 3.193 0.000 . 2 . . . . . 98 HIS HB3 . 53480 1
753 . 1 . 1 98 98 HIS C C 13 178.294 0.015 . 1 . . . . . 98 HIS C . 53480 1
754 . 1 . 1 98 98 HIS CA C 13 59.466 0.054 . 1 . . . . . 98 HIS CA . 53480 1
755 . 1 . 1 98 98 HIS CB C 13 31.995 0.047 . 1 . . . . . 98 HIS CB . 53480 1
756 . 1 . 1 98 98 HIS N N 15 117.110 0.037 . 1 . . . . . 98 HIS N . 53480 1
757 . 1 . 1 99 99 LEU H H 1 6.921 0.002 . 1 . . . . . 99 LEU H . 53480 1
758 . 1 . 1 99 99 LEU HA H 1 2.409 0.006 . 1 . . . . . 99 LEU HA . 53480 1
759 . 1 . 1 99 99 LEU HB2 H 1 1.960 0.013 . 2 . . . . . 99 LEU HB2 . 53480 1
760 . 1 . 1 99 99 LEU HB3 H 1 1.068 0.005 . 2 . . . . . 99 LEU HB3 . 53480 1
761 . 1 . 1 99 99 LEU C C 13 177.753 0.004 . 1 . . . . . 99 LEU C . 53480 1
762 . 1 . 1 99 99 LEU CA C 13 58.305 0.040 . 1 . . . . . 99 LEU CA . 53480 1
763 . 1 . 1 99 99 LEU CB C 13 40.706 0.081 . 1 . . . . . 99 LEU CB . 53480 1
764 . 1 . 1 99 99 LEU N N 15 122.492 0.029 . 1 . . . . . 99 LEU N . 53480 1
765 . 1 . 1 100 100 LEU H H 1 8.205 0.003 . 1 . . . . . 100 LEU H . 53480 1
766 . 1 . 1 100 100 LEU HA H 1 3.773 0.003 . 1 . . . . . 100 LEU HA . 53480 1
767 . 1 . 1 100 100 LEU HB2 H 1 1.738 0.001 . 2 . . . . . 100 LEU HB2 . 53480 1
768 . 1 . 1 100 100 LEU HB3 H 1 1.472 0.001 . 2 . . . . . 100 LEU HB3 . 53480 1
769 . 1 . 1 100 100 LEU C C 13 180.049 0.014 . 1 . . . . . 100 LEU C . 53480 1
770 . 1 . 1 100 100 LEU CA C 13 58.039 0.060 . 1 . . . . . 100 LEU CA . 53480 1
771 . 1 . 1 100 100 LEU CB C 13 41.021 0.035 . 1 . . . . . 100 LEU CB . 53480 1
772 . 1 . 1 100 100 LEU N N 15 118.806 0.069 . 1 . . . . . 100 LEU N . 53480 1
773 . 1 . 1 101 101 LYS H H 1 7.860 0.005 . 1 . . . . . 101 LYS H . 53480 1
774 . 1 . 1 101 101 LYS HA H 1 3.877 0.002 . 1 . . . . . 101 LYS HA . 53480 1
775 . 1 . 1 101 101 LYS HB2 H 1 1.841 0.003 . 2 . . . . . 101 LYS HB2 . 53480 1
776 . 1 . 1 101 101 LYS HB3 H 1 1.778 0.002 . 2 . . . . . 101 LYS HB3 . 53480 1
777 . 1 . 1 101 101 LYS C C 13 178.457 0.003 . 1 . . . . . 101 LYS C . 53480 1
778 . 1 . 1 101 101 LYS CA C 13 57.666 0.040 . 1 . . . . . 101 LYS CA . 53480 1
779 . 1 . 1 101 101 LYS CB C 13 31.318 0.025 . 1 . . . . . 101 LYS CB . 53480 1
780 . 1 . 1 101 101 LYS CG C 13 24.073 0.000 . 1 . . . . . 101 LYS CG . 53480 1
781 . 1 . 1 101 101 LYS N N 15 118.143 0.058 . 1 . . . . . 101 LYS N . 53480 1
782 . 1 . 1 102 102 PHE H H 1 7.787 0.005 . 1 . . . . . 102 PHE H . 53480 1
783 . 1 . 1 102 102 PHE HA H 1 3.646 0.004 . 1 . . . . . 102 PHE HA . 53480 1
784 . 1 . 1 102 102 PHE HB2 H 1 3.096 0.005 . 2 . . . . . 102 PHE HB2 . 53480 1
785 . 1 . 1 102 102 PHE HB3 H 1 2.887 0.005 . 2 . . . . . 102 PHE HB3 . 53480 1
786 . 1 . 1 102 102 PHE C C 13 177.841 0.013 . 1 . . . . . 102 PHE C . 53480 1
787 . 1 . 1 102 102 PHE CA C 13 62.927 0.041 . 1 . . . . . 102 PHE CA . 53480 1
788 . 1 . 1 102 102 PHE CB C 13 40.175 0.062 . 1 . . . . . 102 PHE CB . 53480 1
789 . 1 . 1 102 102 PHE N N 15 120.131 0.030 . 1 . . . . . 102 PHE N . 53480 1
790 . 1 . 1 103 103 ALA H H 1 8.569 0.003 . 1 . . . . . 103 ALA H . 53480 1
791 . 1 . 1 103 103 ALA HA H 1 3.329 0.002 . 1 . . . . . 103 ALA HA . 53480 1
792 . 1 . 1 103 103 ALA HB1 H 1 1.447 0.002 . 1 . . . . . 103 ALA HB# . 53480 1
793 . 1 . 1 103 103 ALA HB2 H 1 1.447 0.002 . 1 . . . . . 103 ALA HB# . 53480 1
794 . 1 . 1 103 103 ALA HB3 H 1 1.447 0.002 . 1 . . . . . 103 ALA HB# . 53480 1
795 . 1 . 1 103 103 ALA C C 13 179.567 0.007 . 1 . . . . . 103 ALA C . 53480 1
796 . 1 . 1 103 103 ALA CA C 13 54.521 0.049 . 1 . . . . . 103 ALA CA . 53480 1
797 . 1 . 1 103 103 ALA CB C 13 18.534 0.033 . 1 . . . . . 103 ALA CB . 53480 1
798 . 1 . 1 103 103 ALA N N 15 122.005 0.043 . 1 . . . . . 103 ALA N . 53480 1
799 . 1 . 1 104 104 GLU H H 1 8.051 0.005 . 1 . . . . . 104 GLU H . 53480 1
800 . 1 . 1 104 104 GLU HA H 1 3.769 0.004 . 1 . . . . . 104 GLU HA . 53480 1
801 . 1 . 1 104 104 GLU HB2 H 1 1.932 0.003 . 2 . . . . . 104 GLU HB2 . 53480 1
802 . 1 . 1 104 104 GLU HB3 H 1 1.809 0.005 . 2 . . . . . 104 GLU HB3 . 53480 1
803 . 1 . 1 104 104 GLU C C 13 179.453 0.010 . 1 . . . . . 104 GLU C . 53480 1
804 . 1 . 1 104 104 GLU CA C 13 59.015 0.020 . 1 . . . . . 104 GLU CA . 53480 1
805 . 1 . 1 104 104 GLU CB C 13 29.734 0.051 . 1 . . . . . 104 GLU CB . 53480 1
806 . 1 . 1 104 104 GLU CG C 13 36.237 0.000 . 1 . . . . . 104 GLU CG . 53480 1
807 . 1 . 1 104 104 GLU N N 15 120.062 0.039 . 1 . . . . . 104 GLU N . 53480 1
808 . 1 . 1 105 105 LYS H H 1 6.959 0.004 . 1 . . . . . 105 LYS H . 53480 1
809 . 1 . 1 105 105 LYS HA H 1 3.047 0.003 . 1 . . . . . 105 LYS HA . 53480 1
810 . 1 . 1 105 105 LYS C C 13 175.428 0.008 . 1 . . . . . 105 LYS C . 53480 1
811 . 1 . 1 105 105 LYS CA C 13 56.122 0.056 . 1 . . . . . 105 LYS CA . 53480 1
812 . 1 . 1 105 105 LYS CB C 13 29.727 0.002 . 1 . . . . . 105 LYS CB . 53480 1
813 . 1 . 1 105 105 LYS CG C 13 22.593 0.000 . 1 . . . . . 105 LYS CG . 53480 1
814 . 1 . 1 105 105 LYS N N 15 118.763 0.031 . 1 . . . . . 105 LYS N . 53480 1
815 . 1 . 1 106 106 PHE H H 1 7.376 0.004 . 1 . . . . . 106 PHE H . 53480 1
816 . 1 . 1 106 106 PHE HA H 1 3.185 0.002 . 1 . . . . . 106 PHE HA . 53480 1
817 . 1 . 1 106 106 PHE HB2 H 1 2.831 0.007 . 2 . . . . . 106 PHE HB2 . 53480 1
818 . 1 . 1 106 106 PHE HB3 H 1 2.383 0.002 . 2 . . . . . 106 PHE HB3 . 53480 1
819 . 1 . 1 106 106 PHE C C 13 177.674 0.017 . 1 . . . . . 106 PHE C . 53480 1
820 . 1 . 1 106 106 PHE CA C 13 61.677 0.042 . 1 . . . . . 106 PHE CA . 53480 1
821 . 1 . 1 106 106 PHE CB C 13 38.621 0.041 . 1 . . . . . 106 PHE CB . 53480 1
822 . 1 . 1 106 106 PHE N N 15 120.994 0.037 . 1 . . . . . 106 PHE N . 53480 1
823 . 1 . 1 107 107 GLN H H 1 7.487 0.005 . 1 . . . . . 107 GLN H . 53480 1
824 . 1 . 1 107 107 GLN HA H 1 3.918 0.003 . 1 . . . . . 107 GLN HA . 53480 1
825 . 1 . 1 107 107 GLN HB2 H 1 2.178 0.006 . 2 . . . . . 107 GLN HB2 . 53480 1
826 . 1 . 1 107 107 GLN HB3 H 1 1.968 0.003 . 2 . . . . . 107 GLN HB3 . 53480 1
827 . 1 . 1 107 107 GLN HG2 H 1 2.441 0.005 . 2 . . . . . 107 GLN HG2 . 53480 1
828 . 1 . 1 107 107 GLN HG3 H 1 2.375 0.008 . 2 . . . . . 107 GLN HG3 . 53480 1
829 . 1 . 1 107 107 GLN C C 13 177.817 0.012 . 1 . . . . . 107 GLN C . 53480 1
830 . 1 . 1 107 107 GLN CA C 13 58.354 0.056 . 1 . . . . . 107 GLN CA . 53480 1
831 . 1 . 1 107 107 GLN CB C 13 28.054 0.065 . 1 . . . . . 107 GLN CB . 53480 1
832 . 1 . 1 107 107 GLN CG C 13 33.143 0.026 . 1 . . . . . 107 GLN CG . 53480 1
833 . 1 . 1 107 107 GLN N N 15 114.937 0.031 . 1 . . . . . 107 GLN N . 53480 1
834 . 1 . 1 108 108 GLU H H 1 7.424 0.004 . 1 . . . . . 108 GLU H . 53480 1
835 . 1 . 1 108 108 GLU HA H 1 3.632 0.005 . 1 . . . . . 108 GLU HA . 53480 1
836 . 1 . 1 108 108 GLU HB2 H 1 1.501 0.006 . 2 . . . . . 108 GLU HB2 . 53480 1
837 . 1 . 1 108 108 GLU HB3 H 1 1.243 0.006 . 2 . . . . . 108 GLU HB3 . 53480 1
838 . 1 . 1 108 108 GLU C C 13 179.772 0.009 . 1 . . . . . 108 GLU C . 53480 1
839 . 1 . 1 108 108 GLU CA C 13 58.939 0.035 . 1 . . . . . 108 GLU CA . 53480 1
840 . 1 . 1 108 108 GLU CB C 13 28.976 0.035 . 1 . . . . . 108 GLU CB . 53480 1
841 . 1 . 1 108 108 GLU CG C 13 35.296 0.000 . 1 . . . . . 108 GLU CG . 53480 1
842 . 1 . 1 108 108 GLU N N 15 120.428 0.029 . 1 . . . . . 108 GLU N . 53480 1
843 . 1 . 1 109 109 PHE H H 1 7.844 0.003 . 1 . . . . . 109 PHE H . 53480 1
844 . 1 . 1 109 109 PHE HA H 1 4.038 0.002 . 1 . . . . . 109 PHE HA . 53480 1
845 . 1 . 1 109 109 PHE HB2 H 1 2.329 0.006 . 2 . . . . . 109 PHE HB2 . 53480 1
846 . 1 . 1 109 109 PHE HB3 H 1 2.150 0.013 . 2 . . . . . 109 PHE HB3 . 53480 1
847 . 1 . 1 109 109 PHE C C 13 177.483 0.009 . 1 . . . . . 109 PHE C . 53480 1
848 . 1 . 1 109 109 PHE CA C 13 57.699 0.027 . 1 . . . . . 109 PHE CA . 53480 1
849 . 1 . 1 109 109 PHE CB C 13 36.418 0.039 . 1 . . . . . 109 PHE CB . 53480 1
850 . 1 . 1 109 109 PHE N N 15 119.893 0.042 . 1 . . . . . 109 PHE N . 53480 1
851 . 1 . 1 110 110 LYS H H 1 8.463 0.003 . 1 . . . . . 110 LYS H . 53480 1
852 . 1 . 1 110 110 LYS HA H 1 3.621 0.003 . 1 . . . . . 110 LYS HA . 53480 1
853 . 1 . 1 110 110 LYS HB2 H 1 1.808 0.009 . 2 . . . . . 110 LYS HB2 . 53480 1
854 . 1 . 1 110 110 LYS HB3 H 1 1.745 0.002 . 2 . . . . . 110 LYS HB3 . 53480 1
855 . 1 . 1 110 110 LYS C C 13 178.679 0.006 . 1 . . . . . 110 LYS C . 53480 1
856 . 1 . 1 110 110 LYS CA C 13 60.019 0.074 . 1 . . . . . 110 LYS CA . 53480 1
857 . 1 . 1 110 110 LYS CB C 13 32.297 0.053 . 1 . . . . . 110 LYS CB . 53480 1
858 . 1 . 1 110 110 LYS CG C 13 24.656 0.000 . 1 . . . . . 110 LYS CG . 53480 1
859 . 1 . 1 110 110 LYS N N 15 123.258 0.050 . 1 . . . . . 110 LYS N . 53480 1
860 . 1 . 1 111 111 GLU H H 1 7.715 0.004 . 1 . . . . . 111 GLU H . 53480 1
861 . 1 . 1 111 111 GLU HA H 1 4.247 0.003 . 1 . . . . . 111 GLU HA . 53480 1
862 . 1 . 1 111 111 GLU HB2 H 1 1.992 0.006 . 2 . . . . . 111 GLU HB2 . 53480 1
863 . 1 . 1 111 111 GLU HB3 H 1 1.917 0.005 . 2 . . . . . 111 GLU HB3 . 53480 1
864 . 1 . 1 111 111 GLU HG2 H 1 2.279 0.004 . 2 . . . . . 111 GLU HG2 . 53480 1
865 . 1 . 1 111 111 GLU HG3 H 1 2.279 0.004 . 2 . . . . . 111 GLU HG3 . 53480 1
866 . 1 . 1 111 111 GLU C C 13 178.808 0.006 . 1 . . . . . 111 GLU C . 53480 1
867 . 1 . 1 111 111 GLU CA C 13 58.166 0.036 . 1 . . . . . 111 GLU CA . 53480 1
868 . 1 . 1 111 111 GLU CB C 13 28.798 0.030 . 1 . . . . . 111 GLU CB . 53480 1
869 . 1 . 1 111 111 GLU CG C 13 35.634 0.024 . 1 . . . . . 111 GLU CG . 53480 1
870 . 1 . 1 111 111 GLU N N 15 118.724 0.051 . 1 . . . . . 111 GLU N . 53480 1
871 . 1 . 1 112 112 ALA H H 1 7.850 0.003 . 1 . . . . . 112 ALA H . 53480 1
872 . 1 . 1 112 112 ALA HA H 1 4.066 0.002 . 1 . . . . . 112 ALA HA . 53480 1
873 . 1 . 1 112 112 ALA HB1 H 1 1.452 0.002 . 1 . . . . . 112 ALA HB# . 53480 1
874 . 1 . 1 112 112 ALA HB2 H 1 1.452 0.002 . 1 . . . . . 112 ALA HB# . 53480 1
875 . 1 . 1 112 112 ALA HB3 H 1 1.452 0.002 . 1 . . . . . 112 ALA HB# . 53480 1
876 . 1 . 1 112 112 ALA C C 13 180.805 0.006 . 1 . . . . . 112 ALA C . 53480 1
877 . 1 . 1 112 112 ALA CA C 13 55.032 0.057 . 1 . . . . . 112 ALA CA . 53480 1
878 . 1 . 1 112 112 ALA CB C 13 17.739 0.049 . 1 . . . . . 112 ALA CB . 53480 1
879 . 1 . 1 112 112 ALA N N 15 122.641 0.053 . 1 . . . . . 112 ALA N . 53480 1
880 . 1 . 1 113 113 ALA H H 1 8.321 0.004 . 1 . . . . . 113 ALA H . 53480 1
881 . 1 . 1 113 113 ALA HA H 1 4.313 0.003 . 1 . . . . . 113 ALA HA . 53480 1
882 . 1 . 1 113 113 ALA HB1 H 1 1.501 0.002 . 1 . . . . . 113 ALA HB# . 53480 1
883 . 1 . 1 113 113 ALA HB2 H 1 1.501 0.002 . 1 . . . . . 113 ALA HB# . 53480 1
884 . 1 . 1 113 113 ALA HB3 H 1 1.501 0.002 . 1 . . . . . 113 ALA HB# . 53480 1
885 . 1 . 1 113 113 ALA C C 13 180.023 0.035 . 1 . . . . . 113 ALA C . 53480 1
886 . 1 . 1 113 113 ALA CA C 13 54.423 0.079 . 1 . . . . . 113 ALA CA . 53480 1
887 . 1 . 1 113 113 ALA CB C 13 17.943 0.045 . 1 . . . . . 113 ALA CB . 53480 1
888 . 1 . 1 113 113 ALA N N 15 121.483 0.018 . 1 . . . . . 113 ALA N . 53480 1
889 . 1 . 1 114 114 ARG H H 1 8.081 0.001 . 1 . . . . . 114 ARG H . 53480 1
890 . 1 . 1 114 114 ARG HA H 1 3.891 0.003 . 1 . . . . . 114 ARG HA . 53480 1
891 . 1 . 1 114 114 ARG HB2 H 1 2.140 0.004 . 2 . . . . . 114 ARG HB2 . 53480 1
892 . 1 . 1 114 114 ARG HB3 H 1 2.140 0.004 . 2 . . . . . 114 ARG HB3 . 53480 1
893 . 1 . 1 114 114 ARG C C 13 178.285 0.031 . 1 . . . . . 114 ARG C . 53480 1
894 . 1 . 1 114 114 ARG CA C 13 59.345 0.049 . 1 . . . . . 114 ARG CA . 53480 1
895 . 1 . 1 114 114 ARG CB C 13 30.244 0.049 . 1 . . . . . 114 ARG CB . 53480 1
896 . 1 . 1 114 114 ARG CG C 13 27.293 0.000 . 1 . . . . . 114 ARG CG . 53480 1
897 . 1 . 1 114 114 ARG CD C 13 42.906 0.000 . 1 . . . . . 114 ARG CD . 53480 1
898 . 1 . 1 114 114 ARG N N 15 120.746 0.023 . 1 . . . . . 114 ARG N . 53480 1
899 . 1 . 1 115 115 LEU H H 1 8.133 0.004 . 1 . . . . . 115 LEU H . 53480 1
900 . 1 . 1 115 115 LEU HA H 1 4.050 0.002 . 1 . . . . . 115 LEU HA . 53480 1
901 . 1 . 1 115 115 LEU HB2 H 1 1.737 0.002 . 2 . . . . . 115 LEU HB2 . 53480 1
902 . 1 . 1 115 115 LEU HB3 H 1 1.533 0.005 . 2 . . . . . 115 LEU HB3 . 53480 1
903 . 1 . 1 115 115 LEU C C 13 178.645 0.008 . 1 . . . . . 115 LEU C . 53480 1
904 . 1 . 1 115 115 LEU CA C 13 56.815 0.027 . 1 . . . . . 115 LEU CA . 53480 1
905 . 1 . 1 115 115 LEU CB C 13 41.901 0.065 . 1 . . . . . 115 LEU CB . 53480 1
906 . 1 . 1 115 115 LEU N N 15 119.939 0.035 . 1 . . . . . 115 LEU N . 53480 1
907 . 1 . 1 116 116 ALA H H 1 7.881 0.002 . 1 . . . . . 116 ALA H . 53480 1
908 . 1 . 1 116 116 ALA HA H 1 4.161 0.003 . 1 . . . . . 116 ALA HA . 53480 1
909 . 1 . 1 116 116 ALA HB1 H 1 1.495 0.003 . 1 . . . . . 116 ALA HB# . 53480 1
910 . 1 . 1 116 116 ALA HB2 H 1 1.495 0.003 . 1 . . . . . 116 ALA HB# . 53480 1
911 . 1 . 1 116 116 ALA HB3 H 1 1.495 0.003 . 1 . . . . . 116 ALA HB# . 53480 1
912 . 1 . 1 116 116 ALA C C 13 179.011 0.005 . 1 . . . . . 116 ALA C . 53480 1
913 . 1 . 1 116 116 ALA CA C 13 53.892 0.028 . 1 . . . . . 116 ALA CA . 53480 1
914 . 1 . 1 116 116 ALA CB C 13 18.538 0.026 . 1 . . . . . 116 ALA CB . 53480 1
915 . 1 . 1 116 116 ALA N N 15 121.473 0.021 . 1 . . . . . 116 ALA N . 53480 1
916 . 1 . 1 117 117 LYS H H 1 7.755 0.006 . 1 . . . . . 117 LYS H . 53480 1
917 . 1 . 1 117 117 LYS HA H 1 4.213 0.002 . 1 . . . . . 117 LYS HA . 53480 1
918 . 1 . 1 117 117 LYS HB2 H 1 1.887 0.047 . 2 . . . . . 117 LYS HB2 . 53480 1
919 . 1 . 1 117 117 LYS HB3 H 1 1.910 0.045 . 2 . . . . . 117 LYS HB3 . 53480 1
920 . 1 . 1 117 117 LYS HG2 H 1 1.472 0.010 . 2 . . . . . 117 LYS HG2 . 53480 1
921 . 1 . 1 117 117 LYS HG3 H 1 1.472 0.010 . 2 . . . . . 117 LYS HG3 . 53480 1
922 . 1 . 1 117 117 LYS HD2 H 1 1.666 0.003 . 2 . . . . . 117 LYS HD2 . 53480 1
923 . 1 . 1 117 117 LYS HD3 H 1 1.666 0.003 . 2 . . . . . 117 LYS HD3 . 53480 1
924 . 1 . 1 117 117 LYS C C 13 177.674 0.000 . 1 . . . . . 117 LYS C . 53480 1
925 . 1 . 1 117 117 LYS CA C 13 57.083 0.076 . 1 . . . . . 117 LYS CA . 53480 1
926 . 1 . 1 117 117 LYS CB C 13 32.661 0.028 . 1 . . . . . 117 LYS CB . 53480 1
927 . 1 . 1 117 117 LYS CG C 13 24.723 0.031 . 1 . . . . . 117 LYS CG . 53480 1
928 . 1 . 1 117 117 LYS CD C 13 27.319 0.046 . 1 . . . . . 117 LYS CD . 53480 1
929 . 1 . 1 117 117 LYS N N 15 118.554 0.021 . 1 . . . . . 117 LYS N . 53480 1
930 . 1 . 1 118 118 GLU H H 1 8.068 0.006 . 1 . . . . . 118 GLU H . 53480 1
931 . 1 . 1 118 118 GLU HA H 1 4.155 0.000 . 1 . . . . . 118 GLU HA . 53480 1
932 . 1 . 1 118 118 GLU C C 13 177.024 0.003 . 1 . . . . . 118 GLU C . 53480 1
933 . 1 . 1 118 118 GLU CA C 13 57.415 0.034 . 1 . . . . . 118 GLU CA . 53480 1
934 . 1 . 1 118 118 GLU CB C 13 30.033 0.045 . 1 . . . . . 118 GLU CB . 53480 1
935 . 1 . 1 118 118 GLU CG C 13 36.371 0.000 . 1 . . . . . 118 GLU CG . 53480 1
936 . 1 . 1 118 118 GLU N N 15 120.182 0.059 . 1 . . . . . 118 GLU N . 53480 1
937 . 1 . 1 119 119 LYS H H 1 7.964 0.005 . 1 . . . . . 119 LYS H . 53480 1
938 . 1 . 1 119 119 LYS HA H 1 4.294 0.002 . 1 . . . . . 119 LYS HA . 53480 1
939 . 1 . 1 119 119 LYS HB2 H 1 1.844 0.017 . 2 . . . . . 119 LYS HB2 . 53480 1
940 . 1 . 1 119 119 LYS HB3 H 1 1.770 0.002 . 2 . . . . . 119 LYS HB3 . 53480 1
941 . 1 . 1 119 119 LYS HG2 H 1 1.435 0.013 . 2 . . . . . 119 LYS HG2 . 53480 1
942 . 1 . 1 119 119 LYS HG3 H 1 1.435 0.013 . 2 . . . . . 119 LYS HG3 . 53480 1
943 . 1 . 1 119 119 LYS HD2 H 1 1.619 0.007 . 2 . . . . . 119 LYS HD2 . 53480 1
944 . 1 . 1 119 119 LYS HD3 H 1 1.619 0.007 . 2 . . . . . 119 LYS HD3 . 53480 1
945 . 1 . 1 119 119 LYS C C 13 176.521 0.002 . 1 . . . . . 119 LYS C . 53480 1
946 . 1 . 1 119 119 LYS CA C 13 56.461 0.044 . 1 . . . . . 119 LYS CA . 53480 1
947 . 1 . 1 119 119 LYS CB C 13 32.857 0.049 . 1 . . . . . 119 LYS CB . 53480 1
948 . 1 . 1 119 119 LYS CG C 13 24.785 0.043 . 1 . . . . . 119 LYS CG . 53480 1
949 . 1 . 1 119 119 LYS CD C 13 29.189 0.025 . 1 . . . . . 119 LYS CD . 53480 1
950 . 1 . 1 119 119 LYS N N 15 120.135 0.012 . 1 . . . . . 119 LYS N . 53480 1
951 . 1 . 1 120 120 SER H H 1 8.082 0.006 . 1 . . . . . 120 SER H . 53480 1
952 . 1 . 1 120 120 SER HA H 1 4.415 0.008 . 1 . . . . . 120 SER HA . 53480 1
953 . 1 . 1 120 120 SER HB2 H 1 3.858 0.002 . 2 . . . . . 120 SER HB2 . 53480 1
954 . 1 . 1 120 120 SER HB3 H 1 3.706 0.002 . 2 . . . . . 120 SER HB3 . 53480 1
955 . 1 . 1 120 120 SER C C 13 173.587 0.003 . 1 . . . . . 120 SER C . 53480 1
956 . 1 . 1 120 120 SER CA C 13 58.472 0.061 . 1 . . . . . 120 SER CA . 53480 1
957 . 1 . 1 120 120 SER CB C 13 63.941 0.073 . 1 . . . . . 120 SER CB . 53480 1
958 . 1 . 1 120 120 SER N N 15 116.875 0.041 . 1 . . . . . 120 SER N . 53480 1
959 . 1 . 1 121 121 GLN H H 1 7.881 0.003 . 1 . . . . . 121 GLN H . 53480 1
960 . 1 . 1 121 121 GLN HA H 1 4.118 0.004 . 1 . . . . . 121 GLN HA . 53480 1
961 . 1 . 1 121 121 GLN HB2 H 1 2.064 0.001 . 2 . . . . . 121 GLN HB2 . 53480 1
962 . 1 . 1 121 121 GLN HB3 H 1 1.891 0.002 . 2 . . . . . 121 GLN HB3 . 53480 1
963 . 1 . 1 121 121 GLN HG2 H 1 2.258 0.002 . 2 . . . . . 121 GLN HG2 . 53480 1
964 . 1 . 1 121 121 GLN HG3 H 1 2.258 0.002 . 2 . . . . . 121 GLN HG3 . 53480 1
965 . 1 . 1 121 121 GLN C C 13 180.461 0.000 . 1 . . . . . 121 GLN C . 53480 1
966 . 1 . 1 121 121 GLN CA C 13 57.429 0.021 . 1 . . . . . 121 GLN CA . 53480 1
967 . 1 . 1 121 121 GLN CB C 13 30.327 0.058 . 1 . . . . . 121 GLN CB . 53480 1
968 . 1 . 1 121 121 GLN CG C 13 34.255 0.000 . 1 . . . . . 121 GLN CG . 53480 1
969 . 1 . 1 121 121 GLN N N 15 126.633 0.008 . 1 . . . . . 121 GLN N . 53480 1
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