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 6855
_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 .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 2D_1H-15N_HSQC 1 $sample_1 isotropic 6855 1
2 3D_1H-1H-15N_TOCSY 1 $sample_1 isotropic 6855 1
3 3D_1H-1H-15N_NOESY 1 $sample_1 isotropic 6855 1
4 2D_1H-13C_HSQC 2 $sample_2 isotropic 6855 1
5 3D_CBCANH 2 $sample_2 isotropic 6855 1
6 3D_CBCA(CO)NH 2 $sample_2 isotropic 6855 1
7 3D_HBHACBCANH 2 $sample_2 isotropic 6855 1
8 3D_HBHACBCA(CO)NH 2 $sample_2 isotropic 6855 1
9 3D_1H-13C-1H_HCCH-COSY 2 $sample_2 isotropic 6855 1
10 3D_1H-13C-1H_HCCH-TOCSY 2 $sample_2 isotropic 6855 1
11 3D_13C-1H-1H_NOESY 2 $sample_2 isotropic 6855 1
12 3D_HNCO 2 $sample_2 isotropic 6855 1
13 3D_13C-1H-1H_TOCSY_Aromatics 2 $sample_2 isotropic 6855 1
14 3D_13C-1H-1H_NOESY_Aromatics 2 $sample_2 isotropic 6855 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 $NMRPipe . . 6855 1
2 $ANSIG . . 6855 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 11 11 ASN H H 1 8.319 0.005 . 1 . . . . 93 Asn HN . 6855 1
2 . 1 1 11 11 ASN CA C 13 54.734 0.050 . 1 . . . . 93 Asn CA . 6855 1
3 . 1 1 11 11 ASN CB C 13 41.475 0.050 . 1 . . . . 93 Asn CB . 6855 1
4 . 1 1 11 11 ASN N N 15 122.538 0.050 . 1 . . . . 93 Asn N . 6855 1
5 . 1 1 12 12 LYS H H 1 8.332 0.005 . 1 . . . . 94 Lys HN . 6855 1
6 . 1 1 12 12 LYS HA H 1 4.536 0.005 . 1 . . . . 94 Lys HA . 6855 1
7 . 1 1 12 12 LYS CA C 13 56.195 0.050 . 1 . . . . 94 Lys CA . 6855 1
8 . 1 1 12 12 LYS CB C 13 30.482 0.050 . 1 . . . . 94 Lys CB . 6855 1
9 . 1 1 12 12 LYS N N 15 120.935 0.050 . 1 . . . . 94 Lys N . 6855 1
10 . 1 1 13 13 ARG H H 1 8.235 0.005 . 1 . . . . 95 Arg HN . 6855 1
11 . 1 1 13 13 ARG HA H 1 4.288 0.005 . 1 . . . . 95 Arg HA . 6855 1
12 . 1 1 13 13 ARG HB2 H 1 1.813 0.005 . 2 . . . . 95 Arg HB1 . 6855 1
13 . 1 1 13 13 ARG HB3 H 1 1.676 0.005 . 2 . . . . 95 Arg HB2 . 6855 1
14 . 1 1 13 13 ARG HG2 H 1 1.536 0.005 . 1 . . . . 95 Arg HG# . 6855 1
15 . 1 1 13 13 ARG HG3 H 1 1.536 0.005 . 1 . . . . 95 Arg HG# . 6855 1
16 . 1 1 13 13 ARG CA C 13 56.536 0.050 . 1 . . . . 95 Arg CA . 6855 1
17 . 1 1 13 13 ARG CB C 13 31.185 0.050 . 1 . . . . 95 Arg CB . 6855 1
18 . 1 1 13 13 ARG N N 15 120.613 0.050 . 1 . . . . 95 Arg N . 6855 1
19 . 1 1 14 14 GLY H H 1 8.534 0.005 . 1 . . . . 96 Gly HN . 6855 1
20 . 1 1 14 14 GLY HA2 H 1 3.948 0.005 . 1 . . . . 96 Gly HA# . 6855 1
21 . 1 1 14 14 GLY HA3 H 1 3.948 0.005 . 1 . . . . 96 Gly HA# . 6855 1
22 . 1 1 14 14 GLY CA C 13 45.664 0.050 . 1 . . . . 96 Gly CA . 6855 1
23 . 1 1 14 14 GLY N N 15 110.296 0.050 . 1 . . . . 96 Gly N . 6855 1
24 . 1 1 15 15 GLU H H 1 8.307 0.005 . 1 . . . . 97 Glu HN . 6855 1
25 . 1 1 15 15 GLU HA H 1 4.269 0.005 . 1 . . . . 97 Glu HA . 6855 1
26 . 1 1 15 15 GLU HB2 H 1 2.044 0.005 . 2 . . . . 97 Glu HB1 . 6855 1
27 . 1 1 15 15 GLU HB3 H 1 1.862 0.005 . 2 . . . . 97 Glu HB2 . 6855 1
28 . 1 1 15 15 GLU CA C 13 56.823 0.050 . 1 . . . . 97 Glu CA . 6855 1
29 . 1 1 15 15 GLU CB C 13 30.672 0.050 . 1 . . . . 97 Glu CB . 6855 1
30 . 1 1 15 15 GLU N N 15 120.447 0.050 . 1 . . . . 97 Glu N . 6855 1
31 . 1 1 16 16 ARG H H 1 8.276 0.005 . 1 . . . . 98 Arg HN . 6855 1
32 . 1 1 16 16 ARG HA H 1 4.255 0.005 . 1 . . . . 98 Arg HA . 6855 1
33 . 1 1 16 16 ARG HB2 H 1 1.703 0.005 . 1 . . . . 98 Arg HB# . 6855 1
34 . 1 1 16 16 ARG HB3 H 1 1.703 0.005 . 1 . . . . 98 Arg HB# . 6855 1
35 . 1 1 16 16 ARG CA C 13 56.289 0.050 . 1 . . . . 98 Arg CA . 6855 1
36 . 1 1 16 16 ARG CB C 13 30.974 0.050 . 1 . . . . 98 Arg CB . 6855 1
37 . 1 1 16 16 ARG N N 15 121.973 0.050 . 1 . . . . 98 Arg N . 6855 1
38 . 1 1 17 17 ARG H H 1 8.272 0.005 . 1 . . . . 99 Arg HN . 6855 1
39 . 1 1 17 17 ARG HA H 1 4.249 0.005 . 1 . . . . 99 Arg HA . 6855 1
40 . 1 1 17 17 ARG HB2 H 1 1.793 0.005 . 2 . . . . 99 Arg HB1 . 6855 1
41 . 1 1 17 17 ARG HB3 H 1 1.698 0.005 . 2 . . . . 99 Arg HB2 . 6855 1
42 . 1 1 17 17 ARG CA C 13 56.146 0.050 . 1 . . . . 99 Arg CA . 6855 1
43 . 1 1 17 17 ARG CB C 13 31.217 0.050 . 1 . . . . 99 Arg CB . 6855 1
44 . 1 1 17 17 ARG N N 15 122.509 0.050 . 1 . . . . 99 Arg N . 6855 1
45 . 1 1 18 18 ARG H H 1 8.338 0.005 . 1 . . . . 100 Arg HN . 6855 1
46 . 1 1 18 18 ARG HA H 1 4.406 0.005 . 1 . . . . 100 Arg HA . 6855 1
47 . 1 1 18 18 ARG HB2 H 1 1.749 0.005 . 2 . . . . 100 Arg HB1 . 6855 1
48 . 1 1 18 18 ARG HB3 H 1 1.635 0.005 . 2 . . . . 100 Arg HB2 . 6855 1
49 . 1 1 18 18 ARG CA C 13 56.259 0.050 . 1 . . . . 100 Arg CA . 6855 1
50 . 1 1 18 18 ARG CB C 13 31.636 0.050 . 1 . . . . 100 Arg CB . 6855 1
51 . 1 1 18 18 ARG N N 15 122.938 0.050 . 1 . . . . 100 Arg N . 6855 1
52 . 1 1 19 19 ARG H H 1 8.483 0.005 . 1 . . . . 101 Arg HN . 6855 1
53 . 1 1 19 19 ARG HA H 1 4.463 0.005 . 1 . . . . 101 Arg HA . 6855 1
54 . 1 1 19 19 ARG HB2 H 1 1.676 0.005 . 1 . . . . 101 Arg HB# . 6855 1
55 . 1 1 19 19 ARG HB3 H 1 1.676 0.005 . 1 . . . . 101 Arg HB# . 6855 1
56 . 1 1 19 19 ARG CA C 13 55.948 0.050 . 1 . . . . 101 Arg CA . 6855 1
57 . 1 1 19 19 ARG CB C 13 32.295 0.050 . 1 . . . . 101 Arg CB . 6855 1
58 . 1 1 19 19 ARG N N 15 122.941 0.050 . 1 . . . . 101 Arg N . 6855 1
59 . 1 1 20 20 ARG H H 1 8.683 0.005 . 1 . . . . 102 Arg HN . 6855 1
60 . 1 1 20 20 ARG HA H 1 5.354 0.005 . 1 . . . . 102 Arg HA . 6855 1
61 . 1 1 20 20 ARG HB2 H 1 1.685 0.005 . 2 . . . . 102 Arg HB1 . 6855 1
62 . 1 1 20 20 ARG HB3 H 1 1.585 0.005 . 2 . . . . 102 Arg HB2 . 6855 1
63 . 1 1 20 20 ARG CA C 13 55.392 0.050 . 1 . . . . 102 Arg CA . 6855 1
64 . 1 1 20 20 ARG CB C 13 33.794 0.050 . 1 . . . . 102 Arg CB . 6855 1
65 . 1 1 20 20 ARG N N 15 122.187 0.050 . 1 . . . . 102 Arg N . 6855 1
66 . 1 1 21 21 CYS H H 1 8.963 0.005 . 1 . . . . 103 Cys HN . 6855 1
67 . 1 1 21 21 CYS HA H 1 5.017 0.005 . 1 . . . . 103 Cys HA . 6855 1
68 . 1 1 21 21 CYS HB2 H 1 2.980 0.005 . 2 . . . . 103 Cys HB1 . 6855 1
69 . 1 1 21 21 CYS HB3 H 1 2.618 0.005 . 2 . . . . 103 Cys HB2 . 6855 1
70 . 1 1 21 21 CYS CA C 13 57.045 0.050 . 1 . . . . 103 Cys CA . 6855 1
71 . 1 1 21 21 CYS CB C 13 33.060 0.050 . 1 . . . . 103 Cys CB . 6855 1
72 . 1 1 21 21 CYS N N 15 117.160 0.050 . 1 . . . . 103 Cys N . 6855 1
73 . 1 1 22 22 GLN H H 1 8.968 0.005 . 1 . . . . 104 Gln HN . 6855 1
74 . 1 1 22 22 GLN HA H 1 5.389 0.005 . 1 . . . . 104 Gln HA . 6855 1
75 . 1 1 22 22 GLN HB2 H 1 1.815 0.005 . 2 . . . . 104 Gln HB1 . 6855 1
76 . 1 1 22 22 GLN HB3 H 1 1.696 0.005 . 2 . . . . 104 Gln HB2 . 6855 1
77 . 1 1 22 22 GLN HG2 H 1 1.990 0.005 . 1 . . . . 104 Gln HG# . 6855 1
78 . 1 1 22 22 GLN HG3 H 1 1.990 0.005 . 1 . . . . 104 Gln HG# . 6855 1
79 . 1 1 22 22 GLN CA C 13 53.686 0.050 . 1 . . . . 104 Gln CA . 6855 1
80 . 1 1 22 22 GLN CB C 13 32.945 0.050 . 1 . . . . 104 Gln CB . 6855 1
81 . 1 1 22 22 GLN CG C 13 33.943 0.050 . 1 . . . . 104 Gln CG . 6855 1
82 . 1 1 22 22 GLN N N 15 120.822 0.050 . 1 . . . . 104 Gln N . 6855 1
83 . 1 1 23 23 VAL H H 1 9.102 0.005 . 1 . . . . 105 Val HN . 6855 1
84 . 1 1 23 23 VAL HA H 1 3.756 0.005 . 1 . . . . 105 Val HA . 6855 1
85 . 1 1 23 23 VAL HB H 1 2.163 0.005 . 1 . . . . 105 Val HB . 6855 1
86 . 1 1 23 23 VAL HG11 H 1 0.863 0.005 . 2 . . . . 105 Val HG1# . 6855 1
87 . 1 1 23 23 VAL HG12 H 1 0.863 0.005 . 2 . . . . 105 Val HG1# . 6855 1
88 . 1 1 23 23 VAL HG13 H 1 0.863 0.005 . 2 . . . . 105 Val HG1# . 6855 1
89 . 1 1 23 23 VAL HG21 H 1 0.721 0.005 . 2 . . . . 105 Val HG2# . 6855 1
90 . 1 1 23 23 VAL HG22 H 1 0.721 0.005 . 2 . . . . 105 Val HG2# . 6855 1
91 . 1 1 23 23 VAL HG23 H 1 0.721 0.005 . 2 . . . . 105 Val HG2# . 6855 1
92 . 1 1 23 23 VAL CA C 13 65.054 0.050 . 1 . . . . 105 Val CA . 6855 1
93 . 1 1 23 23 VAL CB C 13 32.283 0.050 . 1 . . . . 105 Val CB . 6855 1
94 . 1 1 23 23 VAL CG1 C 13 24.160 0.050 . 2 . . . . 105 Val CG1 . 6855 1
95 . 1 1 23 23 VAL CG2 C 13 24.933 0.050 . 2 . . . . 105 Val CG2 . 6855 1
96 . 1 1 23 23 VAL N N 15 125.793 0.050 . 1 . . . . 105 Val N . 6855 1
97 . 1 1 24 24 ALA H H 1 9.066 0.005 . 1 . . . . 106 Ala HN . 6855 1
98 . 1 1 24 24 ALA HA H 1 4.194 0.005 . 1 . . . . 106 Ala HA . 6855 1
99 . 1 1 24 24 ALA HB1 H 1 0.851 0.005 . 1 . . . . 106 Ala HB# . 6855 1
100 . 1 1 24 24 ALA HB2 H 1 0.851 0.005 . 1 . . . . 106 Ala HB# . 6855 1
101 . 1 1 24 24 ALA HB3 H 1 0.851 0.005 . 1 . . . . 106 Ala HB# . 6855 1
102 . 1 1 24 24 ALA CA C 13 52.737 0.050 . 1 . . . . 106 Ala CA . 6855 1
103 . 1 1 24 24 ALA CB C 13 21.233 0.050 . 1 . . . . 106 Ala CB . 6855 1
104 . 1 1 24 24 ALA N N 15 133.118 0.050 . 1 . . . . 106 Ala N . 6855 1
105 . 1 1 25 25 PHE H H 1 7.367 0.005 . 1 . . . . 107 Phe HN . 6855 1
106 . 1 1 25 25 PHE HA H 1 4.561 0.005 . 1 . . . . 107 Phe HA . 6855 1
107 . 1 1 25 25 PHE HB2 H 1 2.916 0.005 . 2 . . . . 107 Phe HB1 . 6855 1
108 . 1 1 25 25 PHE HB3 H 1 2.289 0.005 . 2 . . . . 107 Phe HB2 . 6855 1
109 . 1 1 25 25 PHE HD1 H 1 6.930 0.005 . 1 . . . . 107 Phe HD# . 6855 1
110 . 1 1 25 25 PHE HD2 H 1 6.930 0.005 . 1 . . . . 107 Phe HD# . 6855 1
111 . 1 1 25 25 PHE HE1 H 1 7.137 0.005 . 1 . . . . 107 Phe HE# . 6855 1
112 . 1 1 25 25 PHE HE2 H 1 7.137 0.005 . 1 . . . . 107 Phe HE# . 6855 1
113 . 1 1 25 25 PHE CA C 13 56.352 0.050 . 1 . . . . 107 Phe CA . 6855 1
114 . 1 1 25 25 PHE CB C 13 43.067 0.050 . 1 . . . . 107 Phe CB . 6855 1
115 . 1 1 25 25 PHE CD1 C 13 132.226 0.050 . 1 . . . . 107 Phe CD# . 6855 1
116 . 1 1 25 25 PHE CD2 C 13 132.226 0.050 . 1 . . . . 107 Phe CD# . 6855 1
117 . 1 1 25 25 PHE CE1 C 13 132.270 0.050 . 1 . . . . 107 Phe CE# . 6855 1
118 . 1 1 25 25 PHE CE2 C 13 132.270 0.050 . 1 . . . . 107 Phe CE# . 6855 1
119 . 1 1 25 25 PHE N N 15 116.742 0.050 . 1 . . . . 107 Phe N . 6855 1
120 . 1 1 26 26 SER H H 1 8.248 0.005 . 1 . . . . 108 Ser HN . 6855 1
121 . 1 1 26 26 SER HA H 1 4.097 0.005 . 1 . . . . 108 Ser HA . 6855 1
122 . 1 1 26 26 SER HB2 H 1 3.931 0.005 . 1 . . . . 108 Ser HB# . 6855 1
123 . 1 1 26 26 SER HB3 H 1 3.931 0.005 . 1 . . . . 108 Ser HB# . 6855 1
124 . 1 1 26 26 SER CA C 13 58.922 0.050 . 1 . . . . 108 Ser CA . 6855 1
125 . 1 1 26 26 SER CB C 13 64.622 0.050 . 1 . . . . 108 Ser CB . 6855 1
126 . 1 1 26 26 SER N N 15 114.875 0.050 . 1 . . . . 108 Ser N . 6855 1
127 . 1 1 27 27 TYR H H 1 8.594 0.005 . 1 . . . . 109 Tyr HN . 6855 1
128 . 1 1 27 27 TYR HA H 1 4.663 0.005 . 1 . . . . 109 Tyr HA . 6855 1
129 . 1 1 27 27 TYR HB2 H 1 2.873 0.005 . 2 . . . . 109 Tyr HB1 . 6855 1
130 . 1 1 27 27 TYR HB3 H 1 2.493 0.005 . 2 . . . . 109 Tyr HB2 . 6855 1
131 . 1 1 27 27 TYR HD1 H 1 7.042 0.005 . 1 . . . . 109 Tyr HD# . 6855 1
132 . 1 1 27 27 TYR HD2 H 1 7.042 0.005 . 1 . . . . 109 Tyr HD# . 6855 1
133 . 1 1 27 27 TYR HE1 H 1 6.862 0.005 . 1 . . . . 109 Tyr HE# . 6855 1
134 . 1 1 27 27 TYR HE2 H 1 6.862 0.005 . 1 . . . . 109 Tyr HE# . 6855 1
135 . 1 1 27 27 TYR CA C 13 58.887 0.050 . 1 . . . . 109 Tyr CA . 6855 1
136 . 1 1 27 27 TYR CB C 13 43.060 0.050 . 1 . . . . 109 Tyr CB . 6855 1
137 . 1 1 27 27 TYR CD1 C 13 133.034 0.050 . 1 . . . . 109 Tyr CD# . 6855 1
138 . 1 1 27 27 TYR CD2 C 13 133.034 0.050 . 1 . . . . 109 Tyr CD# . 6855 1
139 . 1 1 27 27 TYR CE1 C 13 117.790 0.050 . 1 . . . . 109 Tyr CE# . 6855 1
140 . 1 1 27 27 TYR CE2 C 13 117.790 0.050 . 1 . . . . 109 Tyr CE# . 6855 1
141 . 1 1 27 27 TYR N N 15 121.291 0.050 . 1 . . . . 109 Tyr N . 6855 1
142 . 1 1 28 28 LEU H H 1 7.493 0.005 . 1 . . . . 110 Leu HN . 6855 1
143 . 1 1 28 28 LEU HA H 1 4.701 0.005 . 1 . . . . 110 Leu HA . 6855 1
144 . 1 1 28 28 LEU HB2 H 1 1.326 0.005 . 1 . . . . 110 Leu HB# . 6855 1
145 . 1 1 28 28 LEU HB3 H 1 1.326 0.005 . 1 . . . . 110 Leu HB# . 6855 1
146 . 1 1 28 28 LEU HG H 1 1.461 0.005 . 1 . . . . 110 Leu HG . 6855 1
147 . 1 1 28 28 LEU HD11 H 1 0.793 0.005 . 1 . . . . 110 Leu HD# . 6855 1
148 . 1 1 28 28 LEU HD12 H 1 0.793 0.005 . 1 . . . . 110 Leu HD# . 6855 1
149 . 1 1 28 28 LEU HD13 H 1 0.793 0.005 . 1 . . . . 110 Leu HD# . 6855 1
150 . 1 1 28 28 LEU CA C 13 50.850 0.050 . 1 . . . . 110 Leu CA . 6855 1
151 . 1 1 28 28 LEU CB C 13 42.122 0.050 . 1 . . . . 110 Leu CB . 6855 1
152 . 1 1 28 28 LEU CG C 13 26.374 0.050 . 1 . . . . 110 Leu CG . 6855 1
153 . 1 1 28 28 LEU CD1 C 13 25.060 0.050 . 1 . . . . 110 Leu CD# . 6855 1
154 . 1 1 28 28 LEU CD2 C 13 25.060 0.050 . 1 . . . . 110 Leu CD# . 6855 1
155 . 1 1 28 28 LEU N N 15 129.456 0.050 . 1 . . . . 110 Leu N . 6855 1
156 . 1 1 29 29 PRO HA H 1 4.385 0.005 . 1 . . . . 111 Pro HA . 6855 1
157 . 1 1 29 29 PRO HB2 H 1 2.220 0.005 . 2 . . . . 111 Pro HB1 . 6855 1
158 . 1 1 29 29 PRO HB3 H 1 2.013 0.005 . 2 . . . . 111 Pro HB2 . 6855 1
159 . 1 1 29 29 PRO HD2 H 1 3.607 0.005 . 1 . . . . 111 Pro HD# . 6855 1
160 . 1 1 29 29 PRO HD3 H 1 3.607 0.005 . 1 . . . . 111 Pro HD# . 6855 1
161 . 1 1 29 29 PRO CA C 13 62.847 0.050 . 1 . . . . 111 Pro CA . 6855 1
162 . 1 1 29 29 PRO CB C 13 34.006 0.050 . 1 . . . . 111 Pro CB . 6855 1
163 . 1 1 29 29 PRO CD C 13 50.518 0.050 . 1 . . . . 111 Pro CD . 6855 1
164 . 1 1 30 30 GLN H H 1 9.015 0.005 . 1 . . . . 112 Gln HN . 6855 1
165 . 1 1 30 30 GLN HA H 1 4.212 0.005 . 1 . . . . 112 Gln HA . 6855 1
166 . 1 1 30 30 GLN HB2 H 1 2.207 0.005 . 2 . . . . 112 Gln HB1 . 6855 1
167 . 1 1 30 30 GLN HB3 H 1 1.998 0.005 . 2 . . . . 112 Gln HB2 . 6855 1
168 . 1 1 30 30 GLN HG2 H 1 2.516 0.005 . 2 . . . . 112 Gln HG1 . 6855 1
169 . 1 1 30 30 GLN HG3 H 1 2.331 0.005 . 2 . . . . 112 Gln HG2 . 6855 1
170 . 1 1 30 30 GLN HE21 H 1 7.571 0.005 . 1 . . . . 112 Gln HE21 . 6855 1
171 . 1 1 30 30 GLN HE22 H 1 6.770 0.005 . 1 . . . . 112 Gln HE22 . 6855 1
172 . 1 1 30 30 GLN CA C 13 55.604 0.050 . 1 . . . . 112 Gln CA . 6855 1
173 . 1 1 30 30 GLN CB C 13 30.692 0.050 . 1 . . . . 112 Gln CB . 6855 1
174 . 1 1 30 30 GLN CG C 13 34.410 0.050 . 1 . . . . 112 Gln CG . 6855 1
175 . 1 1 30 30 GLN N N 15 119.637 0.050 . 1 . . . . 112 Gln N . 6855 1
176 . 1 1 30 30 GLN NE2 N 15 113.709 0.050 . 1 . . . . 112 Gln NE2 . 6855 1
177 . 1 1 31 31 ASN H H 1 7.385 0.005 . 1 . . . . 113 Asn HN . 6855 1
178 . 1 1 31 31 ASN HA H 1 4.688 0.005 . 1 . . . . 113 Asn HA . 6855 1
179 . 1 1 31 31 ASN HB2 H 1 2.821 0.005 . 2 . . . . 113 Asn HB1 . 6855 1
180 . 1 1 31 31 ASN HB3 H 1 2.680 0.005 . 2 . . . . 113 Asn HB2 . 6855 1
181 . 1 1 31 31 ASN HD21 H 1 7.437 0.005 . 1 . . . . 113 Asn HD21 . 6855 1
182 . 1 1 31 31 ASN HD22 H 1 6.586 0.005 . 1 . . . . 113 Asn HD22 . 6855 1
183 . 1 1 31 31 ASN CA C 13 52.470 0.050 . 1 . . . . 113 Asn CA . 6855 1
184 . 1 1 31 31 ASN CB C 13 41.815 0.050 . 1 . . . . 113 Asn CB . 6855 1
185 . 1 1 31 31 ASN N N 15 113.109 0.050 . 1 . . . . 113 Asn N . 6855 1
186 . 1 1 31 31 ASN ND2 N 15 114.874 0.050 . 1 . . . . 113 Asn ND2 . 6855 1
187 . 1 1 32 32 ASP H H 1 8.566 0.005 . 1 . . . . 114 Asp HN . 6855 1
188 . 1 1 32 32 ASP HA H 1 4.505 0.005 . 1 . . . . 114 Asp HA . 6855 1
189 . 1 1 32 32 ASP HB2 H 1 2.719 0.005 . 2 . . . . 114 Asp HB1 . 6855 1
190 . 1 1 32 32 ASP HB3 H 1 2.618 0.005 . 2 . . . . 114 Asp HB2 . 6855 1
191 . 1 1 32 32 ASP CA C 13 56.754 0.050 . 1 . . . . 114 Asp CA . 6855 1
192 . 1 1 32 32 ASP CB C 13 41.179 0.050 . 1 . . . . 114 Asp CB . 6855 1
193 . 1 1 32 32 ASP N N 15 118.124 0.050 . 1 . . . . 114 Asp N . 6855 1
194 . 1 1 33 33 ASP H H 1 8.473 0.005 . 1 . . . . 115 Asp HN . 6855 1
195 . 1 1 33 33 ASP HA H 1 4.725 0.005 . 1 . . . . 115 Asp HA . 6855 1
196 . 1 1 33 33 ASP HB2 H 1 2.803 0.005 . 2 . . . . 115 Asp HB1 . 6855 1
197 . 1 1 33 33 ASP HB3 H 1 2.673 0.005 . 2 . . . . 115 Asp HB2 . 6855 1
198 . 1 1 33 33 ASP CA C 13 54.579 0.050 . 1 . . . . 115 Asp CA . 6855 1
199 . 1 1 33 33 ASP CB C 13 40.847 0.050 . 1 . . . . 115 Asp CB . 6855 1
200 . 1 1 33 33 ASP N N 15 117.363 0.050 . 1 . . . . 115 Asp N . 6855 1
201 . 1 1 34 34 GLU H H 1 7.395 0.005 . 1 . . . . 116 Glu HN . 6855 1
202 . 1 1 34 34 GLU HA H 1 5.175 0.005 . 1 . . . . 116 Glu HA . 6855 1
203 . 1 1 34 34 GLU HB2 H 1 2.469 0.005 . 2 . . . . 116 Glu HB1 . 6855 1
204 . 1 1 34 34 GLU HB3 H 1 2.202 0.005 . 2 . . . . 116 Glu HB2 . 6855 1
205 . 1 1 34 34 GLU CA C 13 54.944 0.050 . 1 . . . . 116 Glu CA . 6855 1
206 . 1 1 34 34 GLU CB C 13 33.211 0.050 . 1 . . . . 116 Glu CB . 6855 1
207 . 1 1 34 34 GLU N N 15 119.038 0.050 . 1 . . . . 116 Glu N . 6855 1
208 . 1 1 35 35 LEU H H 1 8.422 0.005 . 1 . . . . 117 Leu HN . 6855 1
209 . 1 1 35 35 LEU HA H 1 4.380 0.005 . 1 . . . . 117 Leu HA . 6855 1
210 . 1 1 35 35 LEU HB2 H 1 1.424 0.005 . 2 . . . . 117 Leu HB1 . 6855 1
211 . 1 1 35 35 LEU HB3 H 1 1.277 0.005 . 2 . . . . 117 Leu HB2 . 6855 1
212 . 1 1 35 35 LEU HG H 1 1.456 0.005 . 1 . . . . 117 Leu HG . 6855 1
213 . 1 1 35 35 LEU HD11 H 1 0.683 0.005 . 1 . . . . 117 Leu HD# . 6855 1
214 . 1 1 35 35 LEU HD12 H 1 0.683 0.005 . 1 . . . . 117 Leu HD# . 6855 1
215 . 1 1 35 35 LEU HD13 H 1 0.683 0.005 . 1 . . . . 117 Leu HD# . 6855 1
216 . 1 1 35 35 LEU CA C 13 54.143 0.050 . 1 . . . . 117 Leu CA . 6855 1
217 . 1 1 35 35 LEU CB C 13 45.138 0.050 . 1 . . . . 117 Leu CB . 6855 1
218 . 1 1 35 35 LEU CG C 13 27.134 0.050 . 1 . . . . 117 Leu CG . 6855 1
219 . 1 1 35 35 LEU CD1 C 13 25.464 0.050 . 1 . . . . 117 Leu CD# . 6855 1
220 . 1 1 35 35 LEU CD2 C 13 25.464 0.050 . 1 . . . . 117 Leu CD# . 6855 1
221 . 1 1 35 35 LEU N N 15 120.746 0.050 . 1 . . . . 117 Leu N . 6855 1
222 . 1 1 36 36 GLU H H 1 7.868 0.005 . 1 . . . . 118 Glu HN . 6855 1
223 . 1 1 36 36 GLU HA H 1 4.565 0.005 . 1 . . . . 118 Glu HA . 6855 1
224 . 1 1 36 36 GLU HB2 H 1 1.935 0.005 . 2 . . . . 118 Glu HB1 . 6855 1
225 . 1 1 36 36 GLU HB3 H 1 1.786 0.005 . 2 . . . . 118 Glu HB2 . 6855 1
226 . 1 1 36 36 GLU HG2 H 1 2.482 0.005 . 2 . . . . 118 Glu HG1 . 6855 1
227 . 1 1 36 36 GLU HG3 H 1 1.961 0.005 . 2 . . . . 118 Glu HG2 . 6855 1
228 . 1 1 36 36 GLU CA C 13 55.891 0.050 . 1 . . . . 118 Glu CA . 6855 1
229 . 1 1 36 36 GLU CB C 13 30.243 0.050 . 1 . . . . 118 Glu CB . 6855 1
230 . 1 1 36 36 GLU CG C 13 36.488 0.050 . 1 . . . . 118 Glu CG . 6855 1
231 . 1 1 36 36 GLU N N 15 118.556 0.050 . 1 . . . . 118 Glu N . 6855 1
232 . 1 1 37 37 LEU H H 1 8.851 0.005 . 1 . . . . 119 Leu HN . 6855 1
233 . 1 1 37 37 LEU HA H 1 4.672 0.005 . 1 . . . . 119 Leu HA . 6855 1
234 . 1 1 37 37 LEU HB2 H 1 2.001 0.005 . 2 . . . . 119 Leu HB1 . 6855 1
235 . 1 1 37 37 LEU HB3 H 1 1.631 0.005 . 2 . . . . 119 Leu HB2 . 6855 1
236 . 1 1 37 37 LEU HG H 1 1.841 0.005 . 1 . . . . 119 Leu HG . 6855 1
237 . 1 1 37 37 LEU HD11 H 1 0.755 0.005 . 2 . . . . 119 Leu HD1# . 6855 1
238 . 1 1 37 37 LEU HD12 H 1 0.755 0.005 . 2 . . . . 119 Leu HD1# . 6855 1
239 . 1 1 37 37 LEU HD13 H 1 0.755 0.005 . 2 . . . . 119 Leu HD1# . 6855 1
240 . 1 1 37 37 LEU HD21 H 1 0.467 0.005 . 2 . . . . 119 Leu HD2# . 6855 1
241 . 1 1 37 37 LEU HD22 H 1 0.467 0.005 . 2 . . . . 119 Leu HD2# . 6855 1
242 . 1 1 37 37 LEU HD23 H 1 0.467 0.005 . 2 . . . . 119 Leu HD2# . 6855 1
243 . 1 1 37 37 LEU CA C 13 53.805 0.050 . 1 . . . . 119 Leu CA . 6855 1
244 . 1 1 37 37 LEU CB C 13 43.356 0.050 . 1 . . . . 119 Leu CB . 6855 1
245 . 1 1 37 37 LEU CG C 13 26.686 0.050 . 1 . . . . 119 Leu CG . 6855 1
246 . 1 1 37 37 LEU CD1 C 13 25.430 0.050 . 2 . . . . 119 Leu CD1 . 6855 1
247 . 1 1 37 37 LEU CD2 C 13 23.487 0.050 . 2 . . . . 119 Leu CD2 . 6855 1
248 . 1 1 37 37 LEU N N 15 126.352 0.050 . 1 . . . . 119 Leu N . 6855 1
249 . 1 1 38 38 LYS H H 1 9.057 0.005 . 1 . . . . 120 Lys HN . 6855 1
250 . 1 1 38 38 LYS HA H 1 4.566 0.005 . 1 . . . . 120 Lys HA . 6855 1
251 . 1 1 38 38 LYS HB2 H 1 1.771 0.005 . 2 . . . . 120 Lys HB1 . 6855 1
252 . 1 1 38 38 LYS HB3 H 1 1.613 0.005 . 2 . . . . 120 Lys HB2 . 6855 1
253 . 1 1 38 38 LYS HE2 H 1 2.883 0.005 . 1 . . . . 120 Lys HE# . 6855 1
254 . 1 1 38 38 LYS HE3 H 1 2.883 0.005 . 1 . . . . 120 Lys HE# . 6855 1
255 . 1 1 38 38 LYS CA C 13 54.667 0.050 . 1 . . . . 120 Lys CA . 6855 1
256 . 1 1 38 38 LYS CB C 13 33.957 0.050 . 1 . . . . 120 Lys CB . 6855 1
257 . 1 1 38 38 LYS CE C 13 42.053 0.050 . 1 . . . . 120 Lys CE . 6855 1
258 . 1 1 38 38 LYS N N 15 126.001 0.050 . 1 . . . . 120 Lys N . 6855 1
259 . 1 1 39 39 VAL H H 1 8.050 0.005 . 1 . . . . 121 Val HN . 6855 1
260 . 1 1 39 39 VAL HA H 1 2.892 0.005 . 1 . . . . 121 Val HA . 6855 1
261 . 1 1 39 39 VAL HB H 1 1.720 0.005 . 1 . . . . 121 Val HB . 6855 1
262 . 1 1 39 39 VAL HG11 H 1 0.793 0.005 . 2 . . . . 121 Val HG1# . 6855 1
263 . 1 1 39 39 VAL HG12 H 1 0.793 0.005 . 2 . . . . 121 Val HG1# . 6855 1
264 . 1 1 39 39 VAL HG13 H 1 0.793 0.005 . 2 . . . . 121 Val HG1# . 6855 1
265 . 1 1 39 39 VAL HG21 H 1 0.708 0.005 . 2 . . . . 121 Val HG2# . 6855 1
266 . 1 1 39 39 VAL HG22 H 1 0.708 0.005 . 2 . . . . 121 Val HG2# . 6855 1
267 . 1 1 39 39 VAL HG23 H 1 0.708 0.005 . 2 . . . . 121 Val HG2# . 6855 1
268 . 1 1 39 39 VAL CA C 13 66.045 0.050 . 1 . . . . 121 Val CA . 6855 1
269 . 1 1 39 39 VAL CB C 13 31.488 0.050 . 1 . . . . 121 Val CB . 6855 1
270 . 1 1 39 39 VAL CG1 C 13 22.561 0.050 . 2 . . . . 121 Val CG1 . 6855 1
271 . 1 1 39 39 VAL CG2 C 13 20.915 0.050 . 2 . . . . 121 Val CG2 . 6855 1
272 . 1 1 39 39 VAL N N 15 121.976 0.050 . 1 . . . . 121 Val N . 6855 1
273 . 1 1 40 40 GLY H H 1 8.437 0.005 . 1 . . . . 122 Gly HN . 6855 1
274 . 1 1 40 40 GLY HA2 H 1 4.445 0.005 . 1 . . . . 122 Gly HA1 . 6855 1
275 . 1 1 40 40 GLY HA3 H 1 3.427 0.005 . 1 . . . . 122 Gly HA2 . 6855 1
276 . 1 1 40 40 GLY CA C 13 44.870 0.050 . 1 . . . . 122 Gly CA . 6855 1
277 . 1 1 40 40 GLY N N 15 115.454 0.050 . 1 . . . . 122 Gly N . 6855 1
278 . 1 1 41 41 ASP H H 1 8.135 0.005 . 1 . . . . 123 Asp HN . 6855 1
279 . 1 1 41 41 ASP HA H 1 4.408 0.005 . 1 . . . . 123 Asp HA . 6855 1
280 . 1 1 41 41 ASP HB2 H 1 2.752 0.005 . 2 . . . . 123 Asp HB1 . 6855 1
281 . 1 1 41 41 ASP HB3 H 1 2.342 0.005 . 2 . . . . 123 Asp HB2 . 6855 1
282 . 1 1 41 41 ASP CA C 13 55.971 0.050 . 1 . . . . 123 Asp CA . 6855 1
283 . 1 1 41 41 ASP CB C 13 42.150 0.050 . 1 . . . . 123 Asp CB . 6855 1
284 . 1 1 41 41 ASP N N 15 122.699 0.050 . 1 . . . . 123 Asp N . 6855 1
285 . 1 1 42 42 ILE H H 1 8.317 0.005 . 1 . . . . 124 Ile HN . 6855 1
286 . 1 1 42 42 ILE HA H 1 4.835 0.005 . 1 . . . . 124 Ile HA . 6855 1
287 . 1 1 42 42 ILE HB H 1 1.783 0.005 . 1 . . . . 124 Ile HB . 6855 1
288 . 1 1 42 42 ILE HG12 H 1 1.566 0.005 . 2 . . . . 124 Ile HG11 . 6855 1
289 . 1 1 42 42 ILE HG13 H 1 1.108 0.005 . 2 . . . . 124 Ile HG12 . 6855 1
290 . 1 1 42 42 ILE HG21 H 1 0.755 0.005 . 1 . . . . 124 Ile HG2# . 6855 1
291 . 1 1 42 42 ILE HG22 H 1 0.755 0.005 . 1 . . . . 124 Ile HG2# . 6855 1
292 . 1 1 42 42 ILE HG23 H 1 0.755 0.005 . 1 . . . . 124 Ile HG2# . 6855 1
293 . 1 1 42 42 ILE HD11 H 1 0.730 0.005 . 1 . . . . 124 Ile HD1# . 6855 1
294 . 1 1 42 42 ILE HD12 H 1 0.730 0.005 . 1 . . . . 124 Ile HD1# . 6855 1
295 . 1 1 42 42 ILE HD13 H 1 0.730 0.005 . 1 . . . . 124 Ile HD1# . 6855 1
296 . 1 1 42 42 ILE CA C 13 59.797 0.050 . 1 . . . . 124 Ile CA . 6855 1
297 . 1 1 42 42 ILE CB C 13 38.348 0.050 . 1 . . . . 124 Ile CB . 6855 1
298 . 1 1 42 42 ILE CG1 C 13 27.475 0.050 . 1 . . . . 124 Ile CG1 . 6855 1
299 . 1 1 42 42 ILE CG2 C 13 17.266 0.050 . 1 . . . . 124 Ile CG2 . 6855 1
300 . 1 1 42 42 ILE CD1 C 13 11.760 0.050 . 1 . . . . 124 Ile CD1 . 6855 1
301 . 1 1 42 42 ILE N N 15 120.687 0.050 . 1 . . . . 124 Ile N . 6855 1
302 . 1 1 43 43 ILE H H 1 8.672 0.005 . 1 . . . . 125 Ile HN . 6855 1
303 . 1 1 43 43 ILE HA H 1 4.293 0.005 . 1 . . . . 125 Ile HA . 6855 1
304 . 1 1 43 43 ILE HB H 1 1.280 0.005 . 1 . . . . 125 Ile HB . 6855 1
305 . 1 1 43 43 ILE HG12 H 1 1.088 0.005 . 2 . . . . 125 Ile HG11 . 6855 1
306 . 1 1 43 43 ILE HG13 H 1 0.494 0.005 . 2 . . . . 125 Ile HG12 . 6855 1
307 . 1 1 43 43 ILE HG21 H 1 0.408 0.005 . 1 . . . . 125 Ile HG2# . 6855 1
308 . 1 1 43 43 ILE HG22 H 1 0.408 0.005 . 1 . . . . 125 Ile HG2# . 6855 1
309 . 1 1 43 43 ILE HG23 H 1 0.408 0.005 . 1 . . . . 125 Ile HG2# . 6855 1
310 . 1 1 43 43 ILE HD11 H 1 -0.175 0.005 . 1 . . . . 125 Ile HD1# . 6855 1
311 . 1 1 43 43 ILE HD12 H 1 -0.175 0.005 . 1 . . . . 125 Ile HD1# . 6855 1
312 . 1 1 43 43 ILE HD13 H 1 -0.175 0.005 . 1 . . . . 125 Ile HD1# . 6855 1
313 . 1 1 43 43 ILE CA C 13 59.597 0.050 . 1 . . . . 125 Ile CA . 6855 1
314 . 1 1 43 43 ILE CB C 13 42.195 0.050 . 1 . . . . 125 Ile CB . 6855 1
315 . 1 1 43 43 ILE CG1 C 13 27.988 0.050 . 1 . . . . 125 Ile CG1 . 6855 1
316 . 1 1 43 43 ILE CG2 C 13 17.398 0.050 . 1 . . . . 125 Ile CG2 . 6855 1
317 . 1 1 43 43 ILE CD1 C 13 14.061 0.050 . 1 . . . . 125 Ile CD1 . 6855 1
318 . 1 1 43 43 ILE N N 15 126.377 0.050 . 1 . . . . 125 Ile N . 6855 1
319 . 1 1 44 44 GLU H H 1 7.973 0.005 . 1 . . . . 126 Glu HN . 6855 1
320 . 1 1 44 44 GLU HA H 1 4.786 0.005 . 1 . . . . 126 Glu HA . 6855 1
321 . 1 1 44 44 GLU HB2 H 1 1.954 0.005 . 1 . . . . 126 Glu HB# . 6855 1
322 . 1 1 44 44 GLU HB3 H 1 1.954 0.005 . 1 . . . . 126 Glu HB# . 6855 1
323 . 1 1 44 44 GLU HG2 H 1 2.196 0.005 . 2 . . . . 126 Glu HG1 . 6855 1
324 . 1 1 44 44 GLU HG3 H 1 1.957 0.005 . 2 . . . . 126 Glu HG2 . 6855 1
325 . 1 1 44 44 GLU CA C 13 55.458 0.050 . 1 . . . . 126 Glu CA . 6855 1
326 . 1 1 44 44 GLU CB C 13 31.101 0.050 . 1 . . . . 126 Glu CB . 6855 1
327 . 1 1 44 44 GLU CG C 13 36.780 0.050 . 1 . . . . 126 Glu CG . 6855 1
328 . 1 1 44 44 GLU N N 15 125.448 0.050 . 1 . . . . 126 Glu N . 6855 1
329 . 1 1 45 45 VAL H H 1 8.994 0.005 . 1 . . . . 127 Val HN . 6855 1
330 . 1 1 45 45 VAL HA H 1 4.147 0.005 . 1 . . . . 127 Val HA . 6855 1
331 . 1 1 45 45 VAL HB H 1 1.923 0.005 . 1 . . . . 127 Val HB . 6855 1
332 . 1 1 45 45 VAL HG11 H 1 1.129 0.005 . 2 . . . . 127 Val HG1# . 6855 1
333 . 1 1 45 45 VAL HG12 H 1 1.129 0.005 . 2 . . . . 127 Val HG1# . 6855 1
334 . 1 1 45 45 VAL HG13 H 1 1.129 0.005 . 2 . . . . 127 Val HG1# . 6855 1
335 . 1 1 45 45 VAL HG21 H 1 0.755 0.005 . 2 . . . . 127 Val HG2# . 6855 1
336 . 1 1 45 45 VAL HG22 H 1 0.755 0.005 . 2 . . . . 127 Val HG2# . 6855 1
337 . 1 1 45 45 VAL HG23 H 1 0.755 0.005 . 2 . . . . 127 Val HG2# . 6855 1
338 . 1 1 45 45 VAL CA C 13 64.711 0.050 . 1 . . . . 127 Val CA . 6855 1
339 . 1 1 45 45 VAL CB C 13 33.144 0.050 . 1 . . . . 127 Val CB . 6855 1
340 . 1 1 45 45 VAL CG1 C 13 23.608 0.050 . 2 . . . . 127 Val CG1 . 6855 1
341 . 1 1 45 45 VAL CG2 C 13 21.645 0.050 . 2 . . . . 127 Val CG2 . 6855 1
342 . 1 1 45 45 VAL N N 15 127.322 0.050 . 1 . . . . 127 Val N . 6855 1
343 . 1 1 46 46 VAL H H 1 9.149 0.005 . 1 . . . . 128 Val HN . 6855 1
344 . 1 1 46 46 VAL HA H 1 4.185 0.005 . 1 . . . . 128 Val HA . 6855 1
345 . 1 1 46 46 VAL HB H 1 1.896 0.005 . 1 . . . . 128 Val HB . 6855 1
346 . 1 1 46 46 VAL HG11 H 1 0.836 0.005 . 2 . . . . 128 Val HG1# . 6855 1
347 . 1 1 46 46 VAL HG12 H 1 0.836 0.005 . 2 . . . . 128 Val HG1# . 6855 1
348 . 1 1 46 46 VAL HG13 H 1 0.836 0.005 . 2 . . . . 128 Val HG1# . 6855 1
349 . 1 1 46 46 VAL HG21 H 1 0.775 0.005 . 2 . . . . 128 Val HG2# . 6855 1
350 . 1 1 46 46 VAL HG22 H 1 0.775 0.005 . 2 . . . . 128 Val HG2# . 6855 1
351 . 1 1 46 46 VAL HG23 H 1 0.775 0.005 . 2 . . . . 128 Val HG2# . 6855 1
352 . 1 1 46 46 VAL CA C 13 63.215 0.050 . 1 . . . . 128 Val CA . 6855 1
353 . 1 1 46 46 VAL CB C 13 33.250 0.050 . 1 . . . . 128 Val CB . 6855 1
354 . 1 1 46 46 VAL CG1 C 13 21.245 0.050 . 2 . . . . 128 Val CG1 . 6855 1
355 . 1 1 46 46 VAL CG2 C 13 21.076 0.050 . 2 . . . . 128 Val CG2 . 6855 1
356 . 1 1 46 46 VAL N N 15 125.267 0.050 . 1 . . . . 128 Val N . 6855 1
357 . 1 1 47 47 GLY H H 1 7.467 0.005 . 1 . . . . 129 Gly HN . 6855 1
358 . 1 1 47 47 GLY HA2 H 1 4.023 0.005 . 1 . . . . 129 Gly HA1 . 6855 1
359 . 1 1 47 47 GLY HA3 H 1 3.742 0.005 . 1 . . . . 129 Gly HA2 . 6855 1
360 . 1 1 47 47 GLY CA C 13 45.635 0.050 . 1 . . . . 129 Gly CA . 6855 1
361 . 1 1 47 47 GLY N N 15 105.963 0.050 . 1 . . . . 129 Gly N . 6855 1
362 . 1 1 48 48 GLU H H 1 8.345 0.005 . 1 . . . . 130 Glu HN . 6855 1
363 . 1 1 48 48 GLU HA H 1 4.292 0.005 . 1 . . . . 130 Glu HA . 6855 1
364 . 1 1 48 48 GLU HB2 H 1 1.724 0.005 . 2 . . . . 130 Glu HB1 . 6855 1
365 . 1 1 48 48 GLU HB3 H 1 1.517 0.005 . 2 . . . . 130 Glu HB2 . 6855 1
366 . 1 1 48 48 GLU CA C 13 56.257 0.050 . 1 . . . . 130 Glu CA . 6855 1
367 . 1 1 48 48 GLU CB C 13 30.206 0.050 . 1 . . . . 130 Glu CB . 6855 1
368 . 1 1 48 48 GLU N N 15 121.051 0.050 . 1 . . . . 130 Glu N . 6855 1
369 . 1 1 49 49 VAL H H 1 8.342 0.005 . 1 . . . . 131 Val HN . 6855 1
370 . 1 1 49 49 VAL HA H 1 3.990 0.005 . 1 . . . . 131 Val HA . 6855 1
371 . 1 1 49 49 VAL HB H 1 1.899 0.005 . 1 . . . . 131 Val HB . 6855 1
372 . 1 1 49 49 VAL HG11 H 1 0.846 0.005 . 1 . . . . 131 Val HG# . 6855 1
373 . 1 1 49 49 VAL HG12 H 1 0.846 0.005 . 1 . . . . 131 Val HG# . 6855 1
374 . 1 1 49 49 VAL HG13 H 1 0.846 0.005 . 1 . . . . 131 Val HG# . 6855 1
375 . 1 1 49 49 VAL CA C 13 64.733 0.050 . 1 . . . . 131 Val CA . 6855 1
376 . 1 1 49 49 VAL CB C 13 33.560 0.050 . 1 . . . . 131 Val CB . 6855 1
377 . 1 1 49 49 VAL CG1 C 13 21.009 0.050 . 1 . . . . 131 Val CG# . 6855 1
378 . 1 1 49 49 VAL N N 15 124.181 0.050 . 1 . . . . 131 Val N . 6855 1
379 . 1 1 50 50 GLU H H 1 8.239 0.005 . 1 . . . . 132 Glu HN . 6855 1
380 . 1 1 50 50 GLU HA H 1 4.567 0.005 . 1 . . . . 132 Glu HA . 6855 1
381 . 1 1 50 50 GLU HB2 H 1 2.234 0.005 . 2 . . . . 132 Glu HB1 . 6855 1
382 . 1 1 50 50 GLU HB3 H 1 2.008 0.005 . 2 . . . . 132 Glu HB2 . 6855 1
383 . 1 1 50 50 GLU HG2 H 1 2.157 0.005 . 1 . . . . 132 Glu HG# . 6855 1
384 . 1 1 50 50 GLU HG3 H 1 2.157 0.005 . 1 . . . . 132 Glu HG# . 6855 1
385 . 1 1 50 50 GLU CA C 13 54.985 0.050 . 1 . . . . 132 Glu CA . 6855 1
386 . 1 1 50 50 GLU CB C 13 32.747 0.050 . 1 . . . . 132 Glu CB . 6855 1
387 . 1 1 50 50 GLU CG C 13 36.113 0.050 . 1 . . . . 132 Glu CG . 6855 1
388 . 1 1 50 50 GLU N N 15 116.275 0.050 . 1 . . . . 132 Glu N . 6855 1
389 . 1 1 51 51 GLU H H 1 8.904 0.005 . 1 . . . . 133 Glu HN . 6855 1
390 . 1 1 51 51 GLU HA H 1 4.064 0.005 . 1 . . . . 133 Glu HA . 6855 1
391 . 1 1 51 51 GLU HB2 H 1 2.002 0.005 . 2 . . . . 133 Glu HB1 . 6855 1
392 . 1 1 51 51 GLU HB3 H 1 1.960 0.005 . 2 . . . . 133 Glu HB2 . 6855 1
393 . 1 1 51 51 GLU HG2 H 1 2.190 0.005 . 1 . . . . 133 Glu HG# . 6855 1
394 . 1 1 51 51 GLU HG3 H 1 2.190 0.005 . 1 . . . . 133 Glu HG# . 6855 1
395 . 1 1 51 51 GLU CA C 13 59.588 0.050 . 1 . . . . 133 Glu CA . 6855 1
396 . 1 1 51 51 GLU CB C 13 29.348 0.050 . 1 . . . . 133 Glu CB . 6855 1
397 . 1 1 51 51 GLU CG C 13 36.258 0.050 . 1 . . . . 133 Glu CG . 6855 1
398 . 1 1 51 51 GLU N N 15 122.008 0.050 . 1 . . . . 133 Glu N . 6855 1
399 . 1 1 52 52 GLY H H 1 8.777 0.005 . 1 . . . . 134 Gly HN . 6855 1
400 . 1 1 52 52 GLY HA2 H 1 3.952 0.005 . 1 . . . . 134 Gly HA1 . 6855 1
401 . 1 1 52 52 GLY HA3 H 1 3.547 0.005 . 1 . . . . 134 Gly HA2 . 6855 1
402 . 1 1 52 52 GLY CA C 13 45.587 0.050 . 1 . . . . 134 Gly CA . 6855 1
403 . 1 1 52 52 GLY N N 15 112.357 0.050 . 1 . . . . 134 Gly N . 6855 1
404 . 1 1 53 53 TRP H H 1 8.359 0.005 . 1 . . . . 135 Trp HN . 6855 1
405 . 1 1 53 53 TRP HA H 1 4.789 0.005 . 1 . . . . 135 Trp HA . 6855 1
406 . 1 1 53 53 TRP HB2 H 1 2.838 0.005 . 2 . . . . 135 Trp HB1 . 6855 1
407 . 1 1 53 53 TRP HB3 H 1 2.667 0.005 . 2 . . . . 135 Trp HB2 . 6855 1
408 . 1 1 53 53 TRP HD1 H 1 7.045 0.005 . 1 . . . . 135 Trp HD1 . 6855 1
409 . 1 1 53 53 TRP HE1 H 1 9.863 0.005 . 1 . . . . 135 Trp HE1 . 6855 1
410 . 1 1 53 53 TRP HE3 H 1 6.492 0.005 . 1 . . . . 135 Trp HE3 . 6855 1
411 . 1 1 53 53 TRP HZ2 H 1 7.285 0.005 . 1 . . . . 135 Trp HZ2 . 6855 1
412 . 1 1 53 53 TRP CA C 13 57.521 0.050 . 1 . . . . 135 Trp CA . 6855 1
413 . 1 1 53 53 TRP CB C 13 32.472 0.050 . 1 . . . . 135 Trp CB . 6855 1
414 . 1 1 53 53 TRP CD1 C 13 126.702 0.050 . 1 . . . . 135 Trp CD1 . 6855 1
415 . 1 1 53 53 TRP CE3 C 13 119.687 0.050 . 1 . . . . 135 Trp CE3 . 6855 1
416 . 1 1 53 53 TRP CZ2 C 13 114.457 0.050 . 1 . . . . 135 Trp CZ2 . 6855 1
417 . 1 1 53 53 TRP N N 15 121.700 0.050 . 1 . . . . 135 Trp N . 6855 1
418 . 1 1 53 53 TRP NE1 N 15 129.149 0.050 . 1 . . . . 135 Trp NE1 . 6855 1
419 . 1 1 54 54 TRP H H 1 8.467 0.005 . 1 . . . . 136 Trp HN . 6855 1
420 . 1 1 54 54 TRP HA H 1 5.216 0.005 . 1 . . . . 136 Trp HA . 6855 1
421 . 1 1 54 54 TRP HB2 H 1 2.893 0.005 . 2 . . . . 136 Trp HB1 . 6855 1
422 . 1 1 54 54 TRP HB3 H 1 1.957 0.005 . 2 . . . . 136 Trp HB2 . 6855 1
423 . 1 1 54 54 TRP HD1 H 1 7.077 0.005 . 1 . . . . 136 Trp HD1 . 6855 1
424 . 1 1 54 54 TRP HE1 H 1 10.051 0.005 . 1 . . . . 136 Trp HE1 . 6855 1
425 . 1 1 54 54 TRP HE3 H 1 6.991 0.005 . 1 . . . . 136 Trp HE3 . 6855 1
426 . 1 1 54 54 TRP HZ2 H 1 7.392 0.005 . 1 . . . . 136 Trp HZ2 . 6855 1
427 . 1 1 54 54 TRP HZ3 H 1 7.144 0.005 . 1 . . . . 136 Trp HZ3 . 6855 1
428 . 1 1 54 54 TRP CA C 13 53.357 0.050 . 1 . . . . 136 Trp CA . 6855 1
429 . 1 1 54 54 TRP CB C 13 33.726 0.050 . 1 . . . . 136 Trp CB . 6855 1
430 . 1 1 54 54 TRP CD1 C 13 123.264 0.050 . 1 . . . . 136 Trp CD1 . 6855 1
431 . 1 1 54 54 TRP CE3 C 13 121.536 0.050 . 1 . . . . 136 Trp CE3 . 6855 1
432 . 1 1 54 54 TRP CZ2 C 13 114.711 0.050 . 1 . . . . 136 Trp CZ2 . 6855 1
433 . 1 1 54 54 TRP CZ3 C 13 124.916 0.050 . 1 . . . . 136 Trp CZ3 . 6855 1
434 . 1 1 54 54 TRP N N 15 125.499 0.050 . 1 . . . . 136 Trp N . 6855 1
435 . 1 1 54 54 TRP NE1 N 15 128.469 0.050 . 1 . . . . 136 Trp NE1 . 6855 1
436 . 1 1 55 55 GLU H H 1 8.754 0.005 . 1 . . . . 137 Glu HN . 6855 1
437 . 1 1 55 55 GLU HA H 1 5.185 0.005 . 1 . . . . 137 Glu HA . 6855 1
438 . 1 1 55 55 GLU HB2 H 1 1.749 0.005 . 1 . . . . 137 Glu HB# . 6855 1
439 . 1 1 55 55 GLU HB3 H 1 1.749 0.005 . 1 . . . . 137 Glu HB# . 6855 1
440 . 1 1 55 55 GLU HG2 H 1 2.434 0.005 . 2 . . . . 137 Glu HG1 . 6855 1
441 . 1 1 55 55 GLU HG3 H 1 1.907 0.005 . 2 . . . . 137 Glu HG2 . 6855 1
442 . 1 1 55 55 GLU CA C 13 54.836 0.050 . 1 . . . . 137 Glu CA . 6855 1
443 . 1 1 55 55 GLU CB C 13 32.668 0.050 . 1 . . . . 137 Glu CB . 6855 1
444 . 1 1 55 55 GLU CG C 13 36.761 0.050 . 1 . . . . 137 Glu CG . 6855 1
445 . 1 1 55 55 GLU N N 15 119.670 0.050 . 1 . . . . 137 Glu N . 6855 1
446 . 1 1 56 56 GLY H H 1 9.525 0.005 . 1 . . . . 138 Gly HN . 6855 1
447 . 1 1 56 56 GLY HA2 H 1 5.236 0.005 . 1 . . . . 138 Gly HA1 . 6855 1
448 . 1 1 56 56 GLY HA3 H 1 3.860 0.005 . 1 . . . . 138 Gly HA2 . 6855 1
449 . 1 1 56 56 GLY CA C 13 46.087 0.050 . 1 . . . . 138 Gly CA . 6855 1
450 . 1 1 56 56 GLY N N 15 113.533 0.050 . 1 . . . . 138 Gly N . 6855 1
451 . 1 1 57 57 VAL H H 1 8.915 0.005 . 1 . . . . 139 Val HN . 6855 1
452 . 1 1 57 57 VAL HA H 1 5.046 0.005 . 1 . . . . 139 Val HA . 6855 1
453 . 1 1 57 57 VAL HB H 1 1.865 0.005 . 1 . . . . 139 Val HB . 6855 1
454 . 1 1 57 57 VAL HG11 H 1 0.828 0.005 . 2 . . . . 139 Val HG1# . 6855 1
455 . 1 1 57 57 VAL HG12 H 1 0.828 0.005 . 2 . . . . 139 Val HG1# . 6855 1
456 . 1 1 57 57 VAL HG13 H 1 0.828 0.005 . 2 . . . . 139 Val HG1# . 6855 1
457 . 1 1 57 57 VAL HG21 H 1 0.729 0.005 . 2 . . . . 139 Val HG2# . 6855 1
458 . 1 1 57 57 VAL HG22 H 1 0.729 0.005 . 2 . . . . 139 Val HG2# . 6855 1
459 . 1 1 57 57 VAL HG23 H 1 0.729 0.005 . 2 . . . . 139 Val HG2# . 6855 1
460 . 1 1 57 57 VAL CA C 13 61.138 0.050 . 1 . . . . 139 Val CA . 6855 1
461 . 1 1 57 57 VAL CB C 13 34.392 0.050 . 1 . . . . 139 Val CB . 6855 1
462 . 1 1 57 57 VAL CG1 C 13 20.543 0.050 . 2 . . . . 139 Val CG1 . 6855 1
463 . 1 1 57 57 VAL CG2 C 13 21.130 0.050 . 2 . . . . 139 Val CG2 . 6855 1
464 . 1 1 57 57 VAL N N 15 118.196 0.050 . 1 . . . . 139 Val N . 6855 1
465 . 1 1 58 58 LEU H H 1 9.120 0.005 . 1 . . . . 140 Leu HN . 6855 1
466 . 1 1 58 58 LEU HA H 1 4.683 0.005 . 1 . . . . 140 Leu HA . 6855 1
467 . 1 1 58 58 LEU HB2 H 1 1.765 0.005 . 2 . . . . 140 Leu HB1 . 6855 1
468 . 1 1 58 58 LEU HB3 H 1 1.173 0.005 . 2 . . . . 140 Leu HB2 . 6855 1
469 . 1 1 58 58 LEU HG H 1 1.438 0.005 . 1 . . . . 140 Leu HG . 6855 1
470 . 1 1 58 58 LEU HD11 H 1 0.829 0.005 . 1 . . . . 140 Leu HD# . 6855 1
471 . 1 1 58 58 LEU HD12 H 1 0.829 0.005 . 1 . . . . 140 Leu HD# . 6855 1
472 . 1 1 58 58 LEU HD13 H 1 0.829 0.005 . 1 . . . . 140 Leu HD# . 6855 1
473 . 1 1 58 58 LEU CA C 13 54.415 0.050 . 1 . . . . 140 Leu CA . 6855 1
474 . 1 1 58 58 LEU CB C 13 46.828 0.050 . 1 . . . . 140 Leu CB . 6855 1
475 . 1 1 58 58 LEU CG C 13 27.918 0.050 . 1 . . . . 140 Leu CG . 6855 1
476 . 1 1 58 58 LEU CD1 C 13 23.777 0.050 . 1 . . . . 140 Leu CD# . 6855 1
477 . 1 1 58 58 LEU CD2 C 13 23.777 0.050 . 1 . . . . 140 Leu CD# . 6855 1
478 . 1 1 58 58 LEU N N 15 130.030 0.050 . 1 . . . . 140 Leu N . 6855 1
479 . 1 1 59 59 ASN H H 1 9.728 0.005 . 1 . . . . 141 Asn HN . 6855 1
480 . 1 1 59 59 ASN HA H 1 4.357 0.005 . 1 . . . . 141 Asn HA . 6855 1
481 . 1 1 59 59 ASN HB2 H 1 2.992 0.005 . 2 . . . . 141 Asn HB1 . 6855 1
482 . 1 1 59 59 ASN HB3 H 1 2.726 0.005 . 2 . . . . 141 Asn HB2 . 6855 1
483 . 1 1 59 59 ASN HD21 H 1 7.693 0.005 . 1 . . . . 141 Asn HD21 . 6855 1
484 . 1 1 59 59 ASN HD22 H 1 7.072 0.005 . 1 . . . . 141 Asn HD22 . 6855 1
485 . 1 1 59 59 ASN CA C 13 54.642 0.050 . 1 . . . . 141 Asn CA . 6855 1
486 . 1 1 59 59 ASN CB C 13 37.740 0.050 . 1 . . . . 141 Asn CB . 6855 1
487 . 1 1 59 59 ASN N N 15 128.141 0.050 . 1 . . . . 141 Asn N . 6855 1
488 . 1 1 59 59 ASN ND2 N 15 114.316 0.050 . 1 . . . . 141 Asn ND2 . 6855 1
489 . 1 1 60 60 GLY H H 1 8.464 0.005 . 1 . . . . 142 Gly HN . 6855 1
490 . 1 1 60 60 GLY HA2 H 1 4.114 0.005 . 1 . . . . 142 Gly HA1 . 6855 1
491 . 1 1 60 60 GLY HA3 H 1 3.492 0.005 . 1 . . . . 142 Gly HA2 . 6855 1
492 . 1 1 60 60 GLY CA C 13 45.747 0.050 . 1 . . . . 142 Gly CA . 6855 1
493 . 1 1 60 60 GLY N N 15 102.995 0.050 . 1 . . . . 142 Gly N . 6855 1
494 . 1 1 61 61 LYS H H 1 7.823 0.005 . 1 . . . . 143 Lys HN . 6855 1
495 . 1 1 61 61 LYS HA H 1 4.616 0.005 . 1 . . . . 143 Lys HA . 6855 1
496 . 1 1 61 61 LYS HB2 H 1 1.856 0.005 . 2 . . . . 143 Lys HB1 . 6855 1
497 . 1 1 61 61 LYS HB3 H 1 1.725 0.005 . 2 . . . . 143 Lys HB2 . 6855 1
498 . 1 1 61 61 LYS HG2 H 1 1.417 0.005 . 2 . . . . 143 Lys HG1 . 6855 1
499 . 1 1 61 61 LYS HG3 H 1 1.253 0.005 . 2 . . . . 143 Lys HG2 . 6855 1
500 . 1 1 61 61 LYS HE2 H 1 2.979 0.005 . 1 . . . . 143 Lys HE# . 6855 1
501 . 1 1 61 61 LYS HE3 H 1 2.979 0.005 . 1 . . . . 143 Lys HE# . 6855 1
502 . 1 1 61 61 LYS CA C 13 55.334 0.050 . 1 . . . . 143 Lys CA . 6855 1
503 . 1 1 61 61 LYS CB C 13 35.175 0.050 . 1 . . . . 143 Lys CB . 6855 1
504 . 1 1 61 61 LYS CG C 13 25.322 0.050 . 1 . . . . 143 Lys CG . 6855 1
505 . 1 1 61 61 LYS CE C 13 42.435 0.050 . 1 . . . . 143 Lys CE . 6855 1
506 . 1 1 61 61 LYS N N 15 123.349 0.050 . 1 . . . . 143 Lys N . 6855 1
507 . 1 1 62 62 THR H H 1 8.427 0.005 . 1 . . . . 144 Thr HN . 6855 1
508 . 1 1 62 62 THR HA H 1 5.458 0.005 . 1 . . . . 144 Thr HA . 6855 1
509 . 1 1 62 62 THR HB H 1 3.965 0.005 . 1 . . . . 144 Thr HB . 6855 1
510 . 1 1 62 62 THR HG21 H 1 1.097 0.005 . 1 . . . . 144 Thr HG2# . 6855 1
511 . 1 1 62 62 THR HG22 H 1 1.097 0.005 . 1 . . . . 144 Thr HG2# . 6855 1
512 . 1 1 62 62 THR HG23 H 1 1.097 0.005 . 1 . . . . 144 Thr HG2# . 6855 1
513 . 1 1 62 62 THR CA C 13 61.309 0.050 . 1 . . . . 144 Thr CA . 6855 1
514 . 1 1 62 62 THR CB C 13 70.247 0.050 . 1 . . . . 144 Thr CB . 6855 1
515 . 1 1 62 62 THR CG2 C 13 21.380 0.050 . 1 . . . . 144 Thr CG2 . 6855 1
516 . 1 1 62 62 THR N N 15 119.752 0.050 . 1 . . . . 144 Thr N . 6855 1
517 . 1 1 63 63 GLY H H 1 8.974 0.005 . 1 . . . . 145 Gly HN . 6855 1
518 . 1 1 63 63 GLY HA2 H 1 4.435 0.005 . 1 . . . . 145 Gly HA1 . 6855 1
519 . 1 1 63 63 GLY HA3 H 1 3.835 0.005 . 1 . . . . 145 Gly HA2 . 6855 1
520 . 1 1 63 63 GLY CA C 13 46.075 0.050 . 1 . . . . 145 Gly CA . 6855 1
521 . 1 1 63 63 GLY N N 15 112.606 0.050 . 1 . . . . 145 Gly N . 6855 1
522 . 1 1 64 64 MET H H 1 8.806 0.005 . 1 . . . . 146 Met HN . 6855 1
523 . 1 1 64 64 MET HA H 1 5.873 0.005 . 1 . . . . 146 Met HA . 6855 1
524 . 1 1 64 64 MET HB2 H 1 2.050 0.005 . 2 . . . . 146 Met HB1 . 6855 1
525 . 1 1 64 64 MET HB3 H 1 1.972 0.005 . 2 . . . . 146 Met HB2 . 6855 1
526 . 1 1 64 64 MET HG2 H 1 2.554 0.005 . 2 . . . . 146 Met HG1 . 6855 1
527 . 1 1 64 64 MET HG3 H 1 2.460 0.005 . 2 . . . . 146 Met HG2 . 6855 1
528 . 1 1 64 64 MET CA C 13 54.450 0.050 . 1 . . . . 146 Met CA . 6855 1
529 . 1 1 64 64 MET CB C 13 35.911 0.050 . 1 . . . . 146 Met CB . 6855 1
530 . 1 1 64 64 MET CG C 13 32.250 0.050 . 1 . . . . 146 Met CG . 6855 1
531 . 1 1 64 64 MET N N 15 117.502 0.050 . 1 . . . . 146 Met N . 6855 1
532 . 1 1 65 65 PHE H H 1 9.117 0.005 . 1 . . . . 147 Phe HN . 6855 1
533 . 1 1 65 65 PHE HA H 1 5.041 0.005 . 1 . . . . 147 Phe HA . 6855 1
534 . 1 1 65 65 PHE HB2 H 1 2.987 0.005 . 2 . . . . 147 Phe HB1 . 6855 1
535 . 1 1 65 65 PHE HB3 H 1 2.648 0.005 . 2 . . . . 147 Phe HB2 . 6855 1
536 . 1 1 65 65 PHE HD1 H 1 6.830 0.005 . 1 . . . . 147 Phe HD# . 6855 1
537 . 1 1 65 65 PHE HD2 H 1 6.830 0.005 . 1 . . . . 147 Phe HD# . 6855 1
538 . 1 1 65 65 PHE HE1 H 1 7.240 0.005 . 1 . . . . 147 Phe HE# . 6855 1
539 . 1 1 65 65 PHE HE2 H 1 7.240 0.005 . 1 . . . . 147 Phe HE# . 6855 1
540 . 1 1 65 65 PHE CA C 13 55.486 0.050 . 1 . . . . 147 Phe CA . 6855 1
541 . 1 1 65 65 PHE CB C 13 39.935 0.050 . 1 . . . . 147 Phe CB . 6855 1
542 . 1 1 65 65 PHE CD1 C 13 133.534 0.050 . 1 . . . . 147 Phe CD# . 6855 1
543 . 1 1 65 65 PHE CD2 C 13 133.534 0.050 . 1 . . . . 147 Phe CD# . 6855 1
544 . 1 1 65 65 PHE CE1 C 13 129.975 0.050 . 1 . . . . 147 Phe CE# . 6855 1
545 . 1 1 65 65 PHE CE2 C 13 129.975 0.050 . 1 . . . . 147 Phe CE# . 6855 1
546 . 1 1 65 65 PHE N N 15 116.370 0.050 . 1 . . . . 147 Phe N . 6855 1
547 . 1 1 66 66 PRO HA H 1 3.696 0.005 . 1 . . . . 148 Pro HA . 6855 1
548 . 1 1 66 66 PRO HB2 H 1 1.186 0.005 . 2 . . . . 148 Pro HB1 . 6855 1
549 . 1 1 66 66 PRO HB3 H 1 0.645 0.005 . 2 . . . . 148 Pro HB2 . 6855 1
550 . 1 1 66 66 PRO HG2 H 1 0.645 0.005 . 2 . . . . 148 Pro HG1 . 6855 1
551 . 1 1 66 66 PRO HG3 H 1 0.045 0.005 . 2 . . . . 148 Pro HG2 . 6855 1
552 . 1 1 66 66 PRO CA C 13 60.710 0.050 . 1 . . . . 148 Pro CA . 6855 1
553 . 1 1 66 66 PRO CB C 13 30.459 0.050 . 1 . . . . 148 Pro CB . 6855 1
554 . 1 1 66 66 PRO CG C 13 26.926 0.050 . 1 . . . . 148 Pro CG . 6855 1
555 . 1 1 67 67 SER H H 1 7.519 0.005 . 1 . . . . 149 Ser HN . 6855 1
556 . 1 1 67 67 SER HA H 1 2.986 0.005 . 1 . . . . 149 Ser HA . 6855 1
557 . 1 1 67 67 SER HB2 H 1 2.187 0.005 . 2 . . . . 149 Ser HB1 . 6855 1
558 . 1 1 67 67 SER HB3 H 1 1.595 0.005 . 2 . . . . 149 Ser HB2 . 6855 1
559 . 1 1 67 67 SER CA C 13 60.586 0.050 . 1 . . . . 149 Ser CA . 6855 1
560 . 1 1 67 67 SER CB C 13 61.464 0.050 . 1 . . . . 149 Ser CB . 6855 1
561 . 1 1 67 67 SER N N 15 120.295 0.050 . 1 . . . . 149 Ser N . 6855 1
562 . 1 1 68 68 ASN H H 1 8.358 0.005 . 1 . . . . 150 Asn HN . 6855 1
563 . 1 1 68 68 ASN HA H 1 4.515 0.005 . 1 . . . . 150 Asn HA . 6855 1
564 . 1 1 68 68 ASN HB2 H 1 2.640 0.005 . 2 . . . . 150 Asn HB1 . 6855 1
565 . 1 1 68 68 ASN HB3 H 1 2.560 0.005 . 2 . . . . 150 Asn HB2 . 6855 1
566 . 1 1 68 68 ASN HD21 H 1 7.336 0.005 . 1 . . . . 150 Asn HD21 . 6855 1
567 . 1 1 68 68 ASN HD22 H 1 6.597 0.005 . 1 . . . . 150 Asn HD22 . 6855 1
568 . 1 1 68 68 ASN CA C 13 54.179 0.050 . 1 . . . . 150 Asn CA . 6855 1
569 . 1 1 68 68 ASN CB C 13 36.542 0.050 . 1 . . . . 150 Asn CB . 6855 1
570 . 1 1 68 68 ASN N N 15 116.314 0.050 . 1 . . . . 150 Asn N . 6855 1
571 . 1 1 68 68 ASN ND2 N 15 112.803 0.050 . 1 . . . . 150 Asn ND2 . 6855 1
572 . 1 1 69 69 PHE H H 1 7.537 0.005 . 1 . . . . 151 Phe HN . 6855 1
573 . 1 1 69 69 PHE HA H 1 4.706 0.005 . 1 . . . . 151 Phe HA . 6855 1
574 . 1 1 69 69 PHE HB2 H 1 3.741 0.005 . 2 . . . . 151 Phe HB1 . 6855 1
575 . 1 1 69 69 PHE HB3 H 1 2.913 0.005 . 2 . . . . 151 Phe HB2 . 6855 1
576 . 1 1 69 69 PHE HD1 H 1 7.035 0.005 . 1 . . . . 151 Phe HD# . 6855 1
577 . 1 1 69 69 PHE HD2 H 1 7.035 0.005 . 1 . . . . 151 Phe HD# . 6855 1
578 . 1 1 69 69 PHE HE1 H 1 7.278 0.005 . 1 . . . . 151 Phe HE# . 6855 1
579 . 1 1 69 69 PHE HE2 H 1 7.278 0.005 . 1 . . . . 151 Phe HE# . 6855 1
580 . 1 1 69 69 PHE CA C 13 58.250 0.050 . 1 . . . . 151 Phe CA . 6855 1
581 . 1 1 69 69 PHE CB C 13 38.144 0.050 . 1 . . . . 151 Phe CB . 6855 1
582 . 1 1 69 69 PHE CD1 C 13 131.227 0.050 . 1 . . . . 151 Phe CD# . 6855 1
583 . 1 1 69 69 PHE CD2 C 13 131.227 0.050 . 1 . . . . 151 Phe CD# . 6855 1
584 . 1 1 69 69 PHE CE1 C 13 131.293 0.050 . 1 . . . . 151 Phe CE# . 6855 1
585 . 1 1 69 69 PHE CE2 C 13 131.293 0.050 . 1 . . . . 151 Phe CE# . 6855 1
586 . 1 1 69 69 PHE N N 15 119.138 0.050 . 1 . . . . 151 Phe N . 6855 1
587 . 1 1 70 70 ILE H H 1 7.118 0.005 . 1 . . . . 152 Ile HN . 6855 1
588 . 1 1 70 70 ILE HA H 1 5.046 0.005 . 1 . . . . 152 Ile HA . 6855 1
589 . 1 1 70 70 ILE HB H 1 1.817 0.005 . 1 . . . . 152 Ile HB . 6855 1
590 . 1 1 70 70 ILE HG12 H 1 1.427 0.005 . 2 . . . . 152 Ile HG11 . 6855 1
591 . 1 1 70 70 ILE HG13 H 1 1.277 0.005 . 2 . . . . 152 Ile HG12 . 6855 1
592 . 1 1 70 70 ILE HG21 H 1 0.662 0.005 . 1 . . . . 152 Ile HG2# . 6855 1
593 . 1 1 70 70 ILE HG22 H 1 0.662 0.005 . 1 . . . . 152 Ile HG2# . 6855 1
594 . 1 1 70 70 ILE HG23 H 1 0.662 0.005 . 1 . . . . 152 Ile HG2# . 6855 1
595 . 1 1 70 70 ILE HD11 H 1 0.686 0.005 . 1 . . . . 152 Ile HD1# . 6855 1
596 . 1 1 70 70 ILE HD12 H 1 0.686 0.005 . 1 . . . . 152 Ile HD1# . 6855 1
597 . 1 1 70 70 ILE HD13 H 1 0.686 0.005 . 1 . . . . 152 Ile HD1# . 6855 1
598 . 1 1 70 70 ILE CA C 13 58.143 0.050 . 1 . . . . 152 Ile CA . 6855 1
599 . 1 1 70 70 ILE CB C 13 42.404 0.050 . 1 . . . . 152 Ile CB . 6855 1
600 . 1 1 70 70 ILE CG1 C 13 27.320 0.050 . 1 . . . . 152 Ile CG1 . 6855 1
601 . 1 1 70 70 ILE CG2 C 13 21.684 0.050 . 1 . . . . 152 Ile CG2 . 6855 1
602 . 1 1 70 70 ILE CD1 C 13 14.426 0.050 . 1 . . . . 152 Ile CD1 . 6855 1
603 . 1 1 70 70 ILE N N 15 110.920 0.050 . 1 . . . . 152 Ile N . 6855 1
604 . 1 1 71 71 LYS H H 1 9.064 0.005 . 1 . . . . 153 Lys HN . 6855 1
605 . 1 1 71 71 LYS HA H 1 4.584 0.005 . 1 . . . . 153 Lys HA . 6855 1
606 . 1 1 71 71 LYS HB2 H 1 1.704 0.005 . 1 . . . . 153 Lys HB# . 6855 1
607 . 1 1 71 71 LYS HB3 H 1 1.704 0.005 . 1 . . . . 153 Lys HB# . 6855 1
608 . 1 1 71 71 LYS HG2 H 1 1.258 0.005 . 1 . . . . 153 Lys HG# . 6855 1
609 . 1 1 71 71 LYS HG3 H 1 1.258 0.005 . 1 . . . . 153 Lys HG# . 6855 1
610 . 1 1 71 71 LYS HD2 H 1 1.551 0.005 . 1 . . . . 153 Lys HD# . 6855 1
611 . 1 1 71 71 LYS HD3 H 1 1.551 0.005 . 1 . . . . 153 Lys HD# . 6855 1
612 . 1 1 71 71 LYS HE2 H 1 2.799 0.005 . 1 . . . . 153 Lys HE# . 6855 1
613 . 1 1 71 71 LYS HE3 H 1 2.799 0.005 . 1 . . . . 153 Lys HE# . 6855 1
614 . 1 1 71 71 LYS CA C 13 55.304 0.050 . 1 . . . . 153 Lys CA . 6855 1
615 . 1 1 71 71 LYS CB C 13 35.740 0.050 . 1 . . . . 153 Lys CB . 6855 1
616 . 1 1 71 71 LYS CG C 13 24.590 0.050 . 1 . . . . 153 Lys CG . 6855 1
617 . 1 1 71 71 LYS CD C 13 29.313 0.050 . 1 . . . . 153 Lys CD . 6855 1
618 . 1 1 71 71 LYS CE C 13 42.052 0.050 . 1 . . . . 153 Lys CE . 6855 1
619 . 1 1 71 71 LYS N N 15 120.617 0.050 . 1 . . . . 153 Lys N . 6855 1
620 . 1 1 72 72 GLU H H 1 8.913 0.005 . 1 . . . . 154 Glu HN . 6855 1
621 . 1 1 72 72 GLU HA H 1 4.346 0.005 . 1 . . . . 154 Glu HA . 6855 1
622 . 1 1 72 72 GLU HB2 H 1 2.104 0.005 . 2 . . . . 154 Glu HB1 . 6855 1
623 . 1 1 72 72 GLU HB3 H 1 1.932 0.005 . 2 . . . . 154 Glu HB2 . 6855 1
624 . 1 1 72 72 GLU HG2 H 1 2.361 0.005 . 2 . . . . 154 Glu HG1 . 6855 1
625 . 1 1 72 72 GLU HG3 H 1 2.323 0.005 . 2 . . . . 154 Glu HG2 . 6855 1
626 . 1 1 72 72 GLU CA C 13 57.604 0.050 . 1 . . . . 154 Glu CA . 6855 1
627 . 1 1 72 72 GLU CB C 13 30.232 0.050 . 1 . . . . 154 Glu CB . 6855 1
628 . 1 1 72 72 GLU CG C 13 36.763 0.050 . 1 . . . . 154 Glu CG . 6855 1
629 . 1 1 72 72 GLU N N 15 123.384 0.050 . 1 . . . . 154 Glu N . 6855 1
630 . 1 1 73 73 LEU H H 1 8.536 0.005 . 1 . . . . 155 Leu HN . 6855 1
631 . 1 1 73 73 LEU HA H 1 4.466 0.005 . 1 . . . . 155 Leu HA . 6855 1
632 . 1 1 73 73 LEU HB2 H 1 1.513 0.005 . 1 . . . . 155 Leu HB# . 6855 1
633 . 1 1 73 73 LEU HB3 H 1 1.513 0.005 . 1 . . . . 155 Leu HB# . 6855 1
634 . 1 1 73 73 LEU HG H 1 1.483 0.005 . 1 . . . . 155 Leu HG . 6855 1
635 . 1 1 73 73 LEU HD11 H 1 0.745 0.005 . 1 . . . . 155 Leu HD# . 6855 1
636 . 1 1 73 73 LEU HD12 H 1 0.745 0.005 . 1 . . . . 155 Leu HD# . 6855 1
637 . 1 1 73 73 LEU HD13 H 1 0.745 0.005 . 1 . . . . 155 Leu HD# . 6855 1
638 . 1 1 73 73 LEU CA C 13 54.785 0.050 . 1 . . . . 155 Leu CA . 6855 1
639 . 1 1 73 73 LEU CB C 13 42.861 0.050 . 1 . . . . 155 Leu CB . 6855 1
640 . 1 1 73 73 LEU CG C 13 27.164 0.050 . 1 . . . . 155 Leu CG . 6855 1
641 . 1 1 73 73 LEU CD1 C 13 23.397 0.050 . 1 . . . . 155 Leu CD# . 6855 1
642 . 1 1 73 73 LEU CD2 C 13 23.397 0.050 . 1 . . . . 155 Leu CD# . 6855 1
643 . 1 1 73 73 LEU N N 15 123.741 0.050 . 1 . . . . 155 Leu N . 6855 1
644 . 1 1 74 74 SER H H 1 8.450 0.005 . 1 . . . . 156 Ser HN . 6855 1
645 . 1 1 74 74 SER HA H 1 4.447 0.005 . 1 . . . . 156 Ser HA . 6855 1
646 . 1 1 74 74 SER HB2 H 1 3.852 0.005 . 1 . . . . 156 Ser HB# . 6855 1
647 . 1 1 74 74 SER HB3 H 1 3.852 0.005 . 1 . . . . 156 Ser HB# . 6855 1
648 . 1 1 74 74 SER CA C 13 58.758 0.050 . 1 . . . . 156 Ser CA . 6855 1
649 . 1 1 74 74 SER CB C 13 64.310 0.050 . 1 . . . . 156 Ser CB . 6855 1
650 . 1 1 74 74 SER N N 15 117.447 0.050 . 1 . . . . 156 Ser N . 6855 1
651 . 1 1 75 75 GLY H H 1 8.524 0.005 . 1 . . . . 157 Gly HN . 6855 1
652 . 1 1 75 75 GLY HA2 H 1 3.820 0.005 . 1 . . . . 157 Gly HA# . 6855 1
653 . 1 1 75 75 GLY HA3 H 1 3.820 0.005 . 1 . . . . 157 Gly HA# . 6855 1
654 . 1 1 75 75 GLY CA C 13 45.691 0.050 . 1 . . . . 157 Gly CA . 6855 1
655 . 1 1 75 75 GLY N N 15 111.138 0.050 . 1 . . . . 157 Gly N . 6855 1
656 . 1 1 76 76 GLU H H 1 8.190 0.005 . 1 . . . . 158 Glu HN . 6855 1
657 . 1 1 76 76 GLU HA H 1 4.257 0.005 . 1 . . . . 158 Glu HA . 6855 1
658 . 1 1 76 76 GLU HB2 H 1 2.050 0.005 . 2 . . . . 158 Glu HB1 . 6855 1
659 . 1 1 76 76 GLU HB3 H 1 1.884 0.005 . 2 . . . . 158 Glu HB2 . 6855 1
660 . 1 1 76 76 GLU HG2 H 1 2.190 0.005 . 2 . . . . 158 Glu HG1 . 6855 1
661 . 1 1 76 76 GLU HG3 H 1 2.167 0.005 . 2 . . . . 158 Glu HG2 . 6855 1
662 . 1 1 76 76 GLU CA C 13 56.924 0.050 . 1 . . . . 158 Glu CA . 6855 1
663 . 1 1 76 76 GLU CB C 13 30.560 0.050 . 1 . . . . 158 Glu CB . 6855 1
664 . 1 1 76 76 GLU CG C 13 36.580 0.050 . 1 . . . . 158 Glu CG . 6855 1
665 . 1 1 76 76 GLU N N 15 120.666 0.050 . 1 . . . . 158 Glu N . 6855 1
666 . 1 1 77 77 SER H H 1 8.301 0.005 . 1 . . . . 159 Ser HN . 6855 1
667 . 1 1 77 77 SER HA H 1 4.395 0.005 . 1 . . . . 159 Ser HA . 6855 1
668 . 1 1 77 77 SER HB2 H 1 3.818 0.005 . 1 . . . . 159 Ser HB# . 6855 1
669 . 1 1 77 77 SER HB3 H 1 3.818 0.005 . 1 . . . . 159 Ser HB# . 6855 1
670 . 1 1 77 77 SER CA C 13 58.792 0.050 . 1 . . . . 159 Ser CA . 6855 1
671 . 1 1 77 77 SER CB C 13 64.310 0.050 . 1 . . . . 159 Ser CB . 6855 1
672 . 1 1 77 77 SER N N 15 115.846 0.050 . 1 . . . . 159 Ser N . 6855 1
673 . 1 1 78 78 ASP H H 1 8.296 0.005 . 1 . . . . 160 Asp HN . 6855 1
674 . 1 1 78 78 ASP HA H 1 4.564 0.005 . 1 . . . . 160 Asp HA . 6855 1
675 . 1 1 78 78 ASP HB2 H 1 2.615 0.005 . 1 . . . . 160 Asp HB# . 6855 1
676 . 1 1 78 78 ASP HB3 H 1 2.615 0.005 . 1 . . . . 160 Asp HB# . 6855 1
677 . 1 1 78 78 ASP CA C 13 54.810 0.050 . 1 . . . . 160 Asp CA . 6855 1
678 . 1 1 78 78 ASP CB C 13 41.497 0.050 . 1 . . . . 160 Asp CB . 6855 1
679 . 1 1 78 78 ASP N N 15 122.367 0.050 . 1 . . . . 160 Asp N . 6855 1
680 . 1 1 79 79 GLU H H 1 8.320 0.005 . 1 . . . . 161 Glu HN . 6855 1
681 . 1 1 79 79 GLU HA H 1 4.173 0.005 . 1 . . . . 161 Glu HA . 6855 1
682 . 1 1 79 79 GLU HB2 H 1 2.002 0.005 . 2 . . . . 161 Glu HB1 . 6855 1
683 . 1 1 79 79 GLU HB3 H 1 1.879 0.005 . 2 . . . . 161 Glu HB2 . 6855 1
684 . 1 1 79 79 GLU HG2 H 1 2.169 0.005 . 1 . . . . 161 Glu HG# . 6855 1
685 . 1 1 79 79 GLU HG3 H 1 2.169 0.005 . 1 . . . . 161 Glu HG# . 6855 1
686 . 1 1 79 79 GLU CA C 13 57.353 0.050 . 1 . . . . 161 Glu CA . 6855 1
687 . 1 1 79 79 GLU CB C 13 30.560 0.050 . 1 . . . . 161 Glu CB . 6855 1
688 . 1 1 79 79 GLU CG C 13 36.143 0.050 . 1 . . . . 161 Glu CG . 6855 1
689 . 1 1 79 79 GLU N N 15 120.756 0.050 . 1 . . . . 161 Glu N . 6855 1
690 . 1 1 80 80 LEU H H 1 8.151 0.005 . 1 . . . . 162 Leu HN . 6855 1
691 . 1 1 80 80 LEU HA H 1 4.227 0.005 . 1 . . . . 162 Leu HA . 6855 1
692 . 1 1 80 80 LEU HB2 H 1 1.608 0.005 . 2 . . . . 162 Leu HB1 . 6855 1
693 . 1 1 80 80 LEU HB3 H 1 1.511 0.005 . 2 . . . . 162 Leu HB2 . 6855 1
694 . 1 1 80 80 LEU HD11 H 1 0.774 0.005 . 1 . . . . 162 Leu HD# . 6855 1
695 . 1 1 80 80 LEU HD12 H 1 0.774 0.005 . 1 . . . . 162 Leu HD# . 6855 1
696 . 1 1 80 80 LEU HD13 H 1 0.774 0.005 . 1 . . . . 162 Leu HD# . 6855 1
697 . 1 1 80 80 LEU CA C 13 55.856 0.050 . 1 . . . . 162 Leu CA . 6855 1
698 . 1 1 80 80 LEU CB C 13 42.435 0.050 . 1 . . . . 162 Leu CB . 6855 1
699 . 1 1 80 80 LEU CD1 C 13 23.832 0.050 . 1 . . . . 162 Leu CD# . 6855 1
700 . 1 1 80 80 LEU CD2 C 13 23.832 0.050 . 1 . . . . 162 Leu CD# . 6855 1
701 . 1 1 80 80 LEU N N 15 121.556 0.050 . 1 . . . . 162 Leu N . 6855 1
702 . 1 1 81 81 GLY H H 1 8.231 0.005 . 1 . . . . 163 Gly HN . 6855 1
703 . 1 1 81 81 GLY HA2 H 1 3.832 0.005 . 1 . . . . 163 Gly HA# . 6855 1
704 . 1 1 81 81 GLY HA3 H 1 3.832 0.005 . 1 . . . . 163 Gly HA# . 6855 1
705 . 1 1 81 81 GLY CA C 13 45.930 0.050 . 1 . . . . 163 Gly CA . 6855 1
706 . 1 1 81 81 GLY N N 15 108.934 0.050 . 1 . . . . 163 Gly N . 6855 1
707 . 1 1 82 82 ILE H H 1 7.844 0.005 . 1 . . . . 164 Ile HN . 6855 1
708 . 1 1 82 82 ILE HA H 1 4.028 0.005 . 1 . . . . 164 Ile HA . 6855 1
709 . 1 1 82 82 ILE HB H 1 1.781 0.005 . 1 . . . . 164 Ile HB . 6855 1
710 . 1 1 82 82 ILE HG12 H 1 1.348 0.005 . 2 . . . . 164 Ile HG11 . 6855 1
711 . 1 1 82 82 ILE HG13 H 1 1.072 0.005 . 2 . . . . 164 Ile HG12 . 6855 1
712 . 1 1 82 82 ILE HG21 H 1 0.778 0.005 . 1 . . . . 164 Ile HG2# . 6855 1
713 . 1 1 82 82 ILE HG22 H 1 0.778 0.005 . 1 . . . . 164 Ile HG2# . 6855 1
714 . 1 1 82 82 ILE HG23 H 1 0.778 0.005 . 1 . . . . 164 Ile HG2# . 6855 1
715 . 1 1 82 82 ILE HD11 H 1 0.739 0.005 . 1 . . . . 164 Ile HD1# . 6855 1
716 . 1 1 82 82 ILE HD12 H 1 0.739 0.005 . 1 . . . . 164 Ile HD1# . 6855 1
717 . 1 1 82 82 ILE HD13 H 1 0.739 0.005 . 1 . . . . 164 Ile HD1# . 6855 1
718 . 1 1 82 82 ILE CA C 13 61.855 0.050 . 1 . . . . 164 Ile CA . 6855 1
719 . 1 1 82 82 ILE CB C 13 38.997 0.050 . 1 . . . . 164 Ile CB . 6855 1
720 . 1 1 82 82 ILE CG1 C 13 27.314 0.050 . 1 . . . . 164 Ile CG1 . 6855 1
721 . 1 1 82 82 ILE CG2 C 13 17.597 0.050 . 1 . . . . 164 Ile CG2 . 6855 1
722 . 1 1 82 82 ILE CD1 C 13 13.075 0.050 . 1 . . . . 164 Ile CD1 . 6855 1
723 . 1 1 82 82 ILE N N 15 119.588 0.050 . 1 . . . . 164 Ile N . 6855 1
stop_
save_