Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15377
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D 1H-15N NOESY' . . . 15377 1
2 '3D 1H-13C NOESY' . . . 15377 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 3 3 VAL HA H 1 3.945 0.003 . . . . . . 3 V HA . 15377 1
2 . 1 1 3 3 VAL HB H 1 1.850 0.005 . . . . . . 3 V HB . 15377 1
3 . 1 1 3 3 VAL HG11 H 1 0.769 0.016 . . . . . . 3 V HG11 . 15377 1
4 . 1 1 3 3 VAL HG12 H 1 0.769 0.016 . . . . . . 3 V HG12 . 15377 1
5 . 1 1 3 3 VAL HG13 H 1 0.769 0.016 . . . . . . 3 V HG13 . 15377 1
6 . 1 1 3 3 VAL HG21 H 1 0.725 0.007 . . . . . . 3 V HG21 . 15377 1
7 . 1 1 3 3 VAL HG22 H 1 0.725 0.007 . . . . . . 3 V HG22 . 15377 1
8 . 1 1 3 3 VAL HG23 H 1 0.725 0.007 . . . . . . 3 V HG23 . 15377 1
9 . 1 1 3 3 VAL C C 13 175.057 0.009 . . . . . . 3 V CO . 15377 1
10 . 1 1 3 3 VAL CA C 13 62.144 0.130 . . . . . . 3 V CA . 15377 1
11 . 1 1 3 3 VAL CB C 13 32.855 0.037 . . . . . . 3 V CB . 15377 1
12 . 1 1 3 3 VAL CG1 C 13 20.788 0.000 . . . . . . 3 V CG1 . 15377 1
13 . 1 1 3 3 VAL CG2 C 13 20.788 0.000 . . . . . . 3 V CG2 . 15377 1
14 . 1 1 4 4 PHE H H 1 8.335 0.007 . . . . . . 4 F NH . 15377 1
15 . 1 1 4 4 PHE HA H 1 4.670 0.005 . . . . . . 4 F HA . 15377 1
16 . 1 1 4 4 PHE HB2 H 1 3.141 0.007 . . . . . . 4 F HB2 . 15377 1
17 . 1 1 4 4 PHE HB3 H 1 2.826 0.004 . . . . . . 4 F HB3 . 15377 1
18 . 1 1 4 4 PHE HD1 H 1 7.079 0.005 . . . . . . 4 F HD1 . 15377 1
19 . 1 1 4 4 PHE HD2 H 1 7.079 0.005 . . . . . . 4 F HD2 . 15377 1
20 . 1 1 4 4 PHE C C 13 176.083 0.007 . . . . . . 4 F CO . 15377 1
21 . 1 1 4 4 PHE CA C 13 57.476 0.048 . . . . . . 4 F CA . 15377 1
22 . 1 1 4 4 PHE CB C 13 39.984 0.063 . . . . . . 4 F CB . 15377 1
23 . 1 1 4 4 PHE N N 15 122.211 0.024 . . . . . . 4 F N . 15377 1
24 . 1 1 5 5 HIS H H 1 9.474 0.009 . . . . . . 5 H NH . 15377 1
25 . 1 1 5 5 HIS HA H 1 4.446 0.004 . . . . . . 5 H HA . 15377 1
26 . 1 1 5 5 HIS HB2 H 1 3.348 0.004 . . . . . . 5 H HB2 . 15377 1
27 . 1 1 5 5 HIS HB3 H 1 3.076 0.004 . . . . . . 5 H HB3 . 15377 1
28 . 1 1 5 5 HIS C C 13 174.013 0.008 . . . . . . 5 H CO . 15377 1
29 . 1 1 5 5 HIS CA C 13 58.199 0.207 . . . . . . 5 H CA . 15377 1
30 . 1 1 5 5 HIS CB C 13 31.069 0.017 . . . . . . 5 H CB . 15377 1
31 . 1 1 5 5 HIS N N 15 124.275 0.021 . . . . . . 5 H N . 15377 1
32 . 1 1 6 6 ASP H H 1 7.521 0.011 . . . . . . 6 D NH . 15377 1
33 . 1 1 6 6 ASP HA H 1 4.504 0.007 . . . . . . 6 D HA . 15377 1
34 . 1 1 6 6 ASP HB2 H 1 2.401 0.006 . . . . . . 6 D HB2 . 15377 1
35 . 1 1 6 6 ASP HB3 H 1 2.106 0.007 . . . . . . 6 D HB3 . 15377 1
36 . 1 1 6 6 ASP C C 13 173.745 0.023 . . . . . . 6 D CO . 15377 1
37 . 1 1 6 6 ASP CA C 13 52.207 0.082 . . . . . . 6 D CA . 15377 1
38 . 1 1 6 6 ASP CB C 13 43.109 0.104 . . . . . . 6 D CB . 15377 1
39 . 1 1 6 6 ASP N N 15 112.579 0.030 . . . . . . 6 D N . 15377 1
40 . 1 1 7 7 GLU H H 1 8.716 0.010 . . . . . . 7 E NH . 15377 1
41 . 1 1 7 7 GLU HA H 1 4.981 0.006 . . . . . . 7 E HA . 15377 1
42 . 1 1 7 7 GLU HB2 H 1 1.780 0.010 . . . . . . 7 E HB2 . 15377 1
43 . 1 1 7 7 GLU HB3 H 1 1.606 0.007 . . . . . . 7 E HB3 . 15377 1
44 . 1 1 7 7 GLU HG2 H 1 2.135 0.007 . . . . . . 7 E HG2 . 15377 1
45 . 1 1 7 7 GLU HG3 H 1 1.819 0.005 . . . . . . 7 E HG3 . 15377 1
46 . 1 1 7 7 GLU C C 13 174.859 0.005 . . . . . . 7 E CO . 15377 1
47 . 1 1 7 7 GLU CA C 13 55.128 0.054 . . . . . . 7 E CA . 15377 1
48 . 1 1 7 7 GLU CB C 13 30.907 0.027 . . . . . . 7 E CB . 15377 1
49 . 1 1 7 7 GLU CG C 13 35.620 0.070 . . . . . . 7 E CG . 15377 1
50 . 1 1 7 7 GLU N N 15 120.351 0.027 . . . . . . 7 E N . 15377 1
51 . 1 1 8 8 VAL H H 1 8.742 0.011 . . . . . . 8 V NH . 15377 1
52 . 1 1 8 8 VAL HA H 1 4.063 0.003 . . . . . . 8 V HA . 15377 1
53 . 1 1 8 8 VAL HB H 1 1.296 0.007 . . . . . . 8 V HB . 15377 1
54 . 1 1 8 8 VAL HG11 H 1 0.185 0.007 . . . . . . 8 V HG11 . 15377 1
55 . 1 1 8 8 VAL HG12 H 1 0.185 0.007 . . . . . . 8 V HG12 . 15377 1
56 . 1 1 8 8 VAL HG13 H 1 0.185 0.007 . . . . . . 8 V HG13 . 15377 1
57 . 1 1 8 8 VAL HG21 H 1 0.185 0.007 . . . . . . 8 V HG21 . 15377 1
58 . 1 1 8 8 VAL HG22 H 1 0.185 0.007 . . . . . . 8 V HG22 . 15377 1
59 . 1 1 8 8 VAL HG23 H 1 0.185 0.007 . . . . . . 8 V HG23 . 15377 1
60 . 1 1 8 8 VAL C C 13 175.183 0.016 . . . . . . 8 V CO . 15377 1
61 . 1 1 8 8 VAL CA C 13 61.145 0.120 . . . . . . 8 V CA . 15377 1
62 . 1 1 8 8 VAL CB C 13 35.440 0.036 . . . . . . 8 V CB . 15377 1
63 . 1 1 8 8 VAL CG1 C 13 20.915 0.000 . . . . . . 8 V CG1 . 15377 1
64 . 1 1 8 8 VAL CG2 C 13 20.915 0.000 . . . . . . 8 V CG2 . 15377 1
65 . 1 1 8 8 VAL N N 15 124.863 0.054 . . . . . . 8 V N . 15377 1
66 . 1 1 9 9 GLU H H 1 8.987 0.007 . . . . . . 9 E NH . 15377 1
67 . 1 1 9 9 GLU HA H 1 4.590 0.004 . . . . . . 9 E HA . 15377 1
68 . 1 1 9 9 GLU HB2 H 1 2.337 0.007 . . . . . . 9 E HB2 . 15377 1
69 . 1 1 9 9 GLU HB3 H 1 1.892 0.008 . . . . . . 9 E HB3 . 15377 1
70 . 1 1 9 9 GLU HG2 H 1 2.212 0.008 . . . . . . 9 E HG2 . 15377 1
71 . 1 1 9 9 GLU HG3 H 1 2.333 0.004 . . . . . . 9 E HG3 . 15377 1
72 . 1 1 9 9 GLU C C 13 179.194 0.004 . . . . . . 9 E CO . 15377 1
73 . 1 1 9 9 GLU CA C 13 56.898 0.101 . . . . . . 9 E CA . 15377 1
74 . 1 1 9 9 GLU CB C 13 29.392 0.029 . . . . . . 9 E CB . 15377 1
75 . 1 1 9 9 GLU CG C 13 36.528 0.000 . . . . . . 9 E CG . 15377 1
76 . 1 1 9 9 GLU N N 15 127.978 0.033 . . . . . . 9 E N . 15377 1
77 . 1 1 10 10 ILE H H 1 8.169 0.009 . . . . . . 10 I NH . 15377 1
78 . 1 1 10 10 ILE HA H 1 3.886 0.004 . . . . . . 10 I HA . 15377 1
79 . 1 1 10 10 ILE HB H 1 1.089 0.008 . . . . . . 10 I HB . 15377 1
80 . 1 1 10 10 ILE HD11 H 1 -0.717 0.009 . . . . . . 10 I HD11 . 15377 1
81 . 1 1 10 10 ILE HD12 H 1 -0.717 0.009 . . . . . . 10 I HD12 . 15377 1
82 . 1 1 10 10 ILE HD13 H 1 -0.717 0.009 . . . . . . 10 I HD13 . 15377 1
83 . 1 1 10 10 ILE HG12 H 1 0.522 0.008 . . . . . . 10 I HG12 . 15377 1
84 . 1 1 10 10 ILE HG13 H 1 0.411 0.010 . . . . . . 10 I HG13 . 15377 1
85 . 1 1 10 10 ILE HG21 H 1 0.864 0.006 . . . . . . 10 I HG21 . 15377 1
86 . 1 1 10 10 ILE HG22 H 1 0.864 0.006 . . . . . . 10 I HG22 . 15377 1
87 . 1 1 10 10 ILE HG23 H 1 0.864 0.006 . . . . . . 10 I HG23 . 15377 1
88 . 1 1 10 10 ILE C C 13 176.524 0.002 . . . . . . 10 I CO . 15377 1
89 . 1 1 10 10 ILE CA C 13 61.087 0.189 . . . . . . 10 I CA . 15377 1
90 . 1 1 10 10 ILE CB C 13 38.620 0.135 . . . . . . 10 I CB . 15377 1
91 . 1 1 10 10 ILE CD1 C 13 13.033 0.000 . . . . . . 10 I CD . 15377 1
92 . 1 1 10 10 ILE CG1 C 13 28.538 0.114 . . . . . . 10 I CG1 . 15377 1
93 . 1 1 10 10 ILE CG2 C 13 19.069 0.000 . . . . . . 10 I CG2 . 15377 1
94 . 1 1 10 10 ILE N N 15 123.019 0.054 . . . . . . 10 I N . 15377 1
95 . 1 1 11 11 GLU H H 1 8.916 0.008 . . . . . . 11 E NH . 15377 1
96 . 1 1 11 11 GLU HA H 1 4.148 0.006 . . . . . . 11 E HA . 15377 1
97 . 1 1 11 11 GLU HB2 H 1 2.022 0.005 . . . . . . 11 E HB2 . 15377 1
98 . 1 1 11 11 GLU HB3 H 1 2.022 0.005 . . . . . . 11 E HB3 . 15377 1
99 . 1 1 11 11 GLU HG2 H 1 2.451 0.005 . . . . . . 11 E HG2 . 15377 1
100 . 1 1 11 11 GLU HG3 H 1 2.249 0.005 . . . . . . 11 E HG3 . 15377 1
101 . 1 1 11 11 GLU C C 13 176.605 0.009 . . . . . . 11 E CO . 15377 1
102 . 1 1 11 11 GLU CA C 13 59.792 0.083 . . . . . . 11 E CA . 15377 1
103 . 1 1 11 11 GLU CB C 13 28.737 0.050 . . . . . . 11 E CB . 15377 1
104 . 1 1 11 11 GLU CG C 13 37.252 0.053 . . . . . . 11 E CG . 15377 1
105 . 1 1 11 11 GLU N N 15 121.728 0.030 . . . . . . 11 E N . 15377 1
106 . 1 1 12 12 ASP H H 1 8.198 0.008 . . . . . . 12 D NH . 15377 1
107 . 1 1 12 12 ASP HA H 1 4.847 0.007 . . . . . . 12 D HA . 15377 1
108 . 1 1 12 12 ASP HB2 H 1 2.934 0.004 . . . . . . 12 D HB2 . 15377 1
109 . 1 1 12 12 ASP HB3 H 1 2.853 0.008 . . . . . . 12 D HB3 . 15377 1
110 . 1 1 12 12 ASP C C 13 177.303 0.011 . . . . . . 12 D CO . 15377 1
111 . 1 1 12 12 ASP CA C 13 55.227 0.052 . . . . . . 12 D CA . 15377 1
112 . 1 1 12 12 ASP CB C 13 41.074 0.037 . . . . . . 12 D CB . 15377 1
113 . 1 1 12 12 ASP N N 15 117.289 0.039 . . . . . . 12 D N . 15377 1
114 . 1 1 13 13 PHE H H 1 8.159 0.010 . . . . . . 13 F NH . 15377 1
115 . 1 1 13 13 PHE HA H 1 4.831 0.008 . . . . . . 13 F HA . 15377 1
116 . 1 1 13 13 PHE HB2 H 1 3.675 0.005 . . . . . . 13 F HB2 . 15377 1
117 . 1 1 13 13 PHE HB3 H 1 3.141 0.007 . . . . . . 13 F HB3 . 15377 1
118 . 1 1 13 13 PHE HD1 H 1 7.206 0.009 . . . . . . 13 F HD1 . 15377 1
119 . 1 1 13 13 PHE HD2 H 1 7.206 0.009 . . . . . . 13 F HD2 . 15377 1
120 . 1 1 13 13 PHE HE1 H 1 6.595 0.006 . . . . . . 13 F HE1 . 15377 1
121 . 1 1 13 13 PHE HE2 H 1 6.595 0.006 . . . . . . 13 F HE2 . 15377 1
122 . 1 1 13 13 PHE C C 13 176.571 0.009 . . . . . . 13 F CO . 15377 1
123 . 1 1 13 13 PHE CA C 13 58.278 0.108 . . . . . . 13 F CA . 15377 1
124 . 1 1 13 13 PHE CB C 13 39.824 0.027 . . . . . . 13 F CB . 15377 1
125 . 1 1 13 13 PHE N N 15 120.780 0.039 . . . . . . 13 F N . 15377 1
126 . 1 1 14 14 GLN H H 1 9.457 0.009 . . . . . . 14 Q NH . 15377 1
127 . 1 1 14 14 GLN HA H 1 4.648 0.004 . . . . . . 14 Q HA . 15377 1
128 . 1 1 14 14 GLN HB2 H 1 1.986 0.005 . . . . . . 14 Q HB2 . 15377 1
129 . 1 1 14 14 GLN HB3 H 1 1.679 0.006 . . . . . . 14 Q HB3 . 15377 1
130 . 1 1 14 14 GLN HG2 H 1 2.361 0.012 . . . . . . 14 Q HG2 . 15377 1
131 . 1 1 14 14 GLN HG3 H 1 2.318 0.005 . . . . . . 14 Q HG3 . 15377 1
132 . 1 1 14 14 GLN C C 13 175.044 0.003 . . . . . . 14 Q CO . 15377 1
133 . 1 1 14 14 GLN CA C 13 55.116 0.142 . . . . . . 14 Q CA . 15377 1
134 . 1 1 14 14 GLN CB C 13 30.655 0.018 . . . . . . 14 Q CB . 15377 1
135 . 1 1 14 14 GLN CG C 13 34.078 0.030 . . . . . . 14 Q CG . 15377 1
136 . 1 1 14 14 GLN N N 15 120.525 0.028 . . . . . . 14 Q N . 15377 1
137 . 1 1 15 15 TYR H H 1 9.006 0.009 . . . . . . 15 Y NH . 15377 1
138 . 1 1 15 15 TYR HA H 1 4.687 0.006 . . . . . . 15 Y HA . 15377 1
139 . 1 1 15 15 TYR HB2 H 1 2.684 0.003 . . . . . . 15 Y HB . 15377 1
140 . 1 1 15 15 TYR HB3 H 1 2.684 0.003 . . . . . . 15 Y HB . 15377 1
141 . 1 1 15 15 TYR HD1 H 1 5.829 0.004 . . . . . . 15 Y HD1 . 15377 1
142 . 1 1 15 15 TYR HD2 H 1 5.829 0.004 . . . . . . 15 Y HD2 . 15377 1
143 . 1 1 15 15 TYR HE1 H 1 6.151 0.010 . . . . . . 15 Y HE1 . 15377 1
144 . 1 1 15 15 TYR HE2 H 1 6.151 0.010 . . . . . . 15 Y HE2 . 15377 1
145 . 1 1 15 15 TYR C C 13 174.367 0.026 . . . . . . 15 Y CO . 15377 1
146 . 1 1 15 15 TYR CA C 13 56.674 0.117 . . . . . . 15 Y CA . 15377 1
147 . 1 1 15 15 TYR CB C 13 39.992 0.073 . . . . . . 15 Y CB . 15377 1
148 . 1 1 15 15 TYR N N 15 125.281 0.028 . . . . . . 15 Y N . 15377 1
149 . 1 1 16 16 ASP H H 1 8.559 0.010 . . . . . . 16 D NH . 15377 1
150 . 1 1 16 16 ASP HA H 1 4.672 0.005 . . . . . . 16 D HA . 15377 1
151 . 1 1 16 16 ASP HB2 H 1 2.867 0.005 . . . . . . 16 D HB2 . 15377 1
152 . 1 1 16 16 ASP HB3 H 1 2.471 0.005 . . . . . . 16 D HB3 . 15377 1
153 . 1 1 16 16 ASP C C 13 174.502 0.011 . . . . . . 16 D CO . 15377 1
154 . 1 1 16 16 ASP CA C 13 52.354 0.107 . . . . . . 16 D CA . 15377 1
155 . 1 1 16 16 ASP CB C 13 42.651 0.055 . . . . . . 16 D CB . 15377 1
156 . 1 1 16 16 ASP N N 15 129.733 0.019 . . . . . . 16 D N . 15377 1
157 . 1 1 17 17 GLU H H 1 8.500 0.010 . . . . . . 17 E NH . 15377 1
158 . 1 1 17 17 GLU HA H 1 3.466 0.003 . . . . . . 17 E HA . 15377 1
159 . 1 1 17 17 GLU HB2 H 1 1.946 0.004 . . . . . . 17 E HB2 . 15377 1
160 . 1 1 17 17 GLU HB3 H 1 1.946 0.004 . . . . . . 17 E HB3 . 15377 1
161 . 1 1 17 17 GLU HG2 H 1 2.289 0.008 . . . . . . 17 E HG2 . 15377 1
162 . 1 1 17 17 GLU HG3 H 1 2.289 0.008 . . . . . . 17 E HG3 . 15377 1
163 . 1 1 17 17 GLU C C 13 178.165 0.056 . . . . . . 17 E CO . 15377 1
164 . 1 1 17 17 GLU CA C 13 58.914 0.110 . . . . . . 17 E CA . 15377 1
165 . 1 1 17 17 GLU CB C 13 29.550 0.030 . . . . . . 17 E CB . 15377 1
166 . 1 1 17 17 GLU CG C 13 35.974 0.056 . . . . . . 17 E CG . 15377 1
167 . 1 1 17 17 GLU N N 15 125.373 0.018 . . . . . . 17 E N . 15377 1
168 . 1 1 18 18 ASP H H 1 8.235 0.008 . . . . . . 18 D NH . 15377 1
169 . 1 1 18 18 ASP HA H 1 4.343 0.004 . . . . . . 18 D HA . 15377 1
170 . 1 1 18 18 ASP HB2 H 1 2.707 0.006 . . . . . . 18 D HB2 . 15377 1
171 . 1 1 18 18 ASP HB3 H 1 2.592 0.004 . . . . . . 18 D HB3 . 15377 1
172 . 1 1 18 18 ASP C C 13 177.012 0.008 . . . . . . 18 D CO . 15377 1
173 . 1 1 18 18 ASP CA C 13 57.438 0.012 . . . . . . 18 D CA . 15377 1
174 . 1 1 18 18 ASP CB C 13 40.662 0.085 . . . . . . 18 D CB . 15377 1
175 . 1 1 18 18 ASP N N 15 117.815 0.043 . . . . . . 18 D N . 15377 1
176 . 1 1 19 19 SER H H 1 7.414 0.010 . . . . . . 19 S NH . 15377 1
177 . 1 1 19 19 SER HA H 1 4.510 0.004 . . . . . . 19 S HA . 15377 1
178 . 1 1 19 19 SER HB2 H 1 4.004 0.007 . . . . . . 19 S HB2 . 15377 1
179 . 1 1 19 19 SER HB3 H 1 3.687 0.005 . . . . . . 19 S HB3 . 15377 1
180 . 1 1 19 19 SER C C 13 175.138 0.005 . . . . . . 19 S CO . 15377 1
181 . 1 1 19 19 SER CA C 13 58.038 0.134 . . . . . . 19 S CA . 15377 1
182 . 1 1 19 19 SER CB C 13 64.984 0.103 . . . . . . 19 S CB . 15377 1
183 . 1 1 19 19 SER N N 15 110.364 0.029 . . . . . . 19 S N . 15377 1
184 . 1 1 20 20 GLU H H 1 7.851 0.007 . . . . . . 20 E NH . 15377 1
185 . 1 1 20 20 GLU HA H 1 3.830 0.003 . . . . . . 20 E HA . 15377 1
186 . 1 1 20 20 GLU HB2 H 1 2.209 0.011 . . . . . . 20 E HB2 . 15377 1
187 . 1 1 20 20 GLU HB3 H 1 2.180 0.004 . . . . . . 20 E HB3 . 15377 1
188 . 1 1 20 20 GLU HG2 H 1 2.234 0.002 . . . . . . 20 E HG2 . 15377 1
189 . 1 1 20 20 GLU HG3 H 1 2.174 0.003 . . . . . . 20 E HG3 . 15377 1
190 . 1 1 20 20 GLU C C 13 174.867 0.009 . . . . . . 20 E CO . 15377 1
191 . 1 1 20 20 GLU CA C 13 57.461 0.096 . . . . . . 20 E CA . 15377 1
192 . 1 1 20 20 GLU CB C 13 27.671 0.062 . . . . . . 20 E CB . 15377 1
193 . 1 1 20 20 GLU CG C 13 36.687 0.017 . . . . . . 20 E CG . 15377 1
194 . 1 1 20 20 GLU N N 15 123.978 0.029 . . . . . . 20 E N . 15377 1
195 . 1 1 21 21 THR H H 1 7.098 0.010 . . . . . . 21 T NH . 15377 1
196 . 1 1 21 21 THR HA H 1 4.542 0.004 . . . . . . 21 T HA . 15377 1
197 . 1 1 21 21 THR HB H 1 3.692 0.006 . . . . . . 21 T HB . 15377 1
198 . 1 1 21 21 THR HG21 H 1 0.590 0.006 . . . . . . 21 T HG21 . 15377 1
199 . 1 1 21 21 THR HG22 H 1 0.590 0.006 . . . . . . 21 T HG22 . 15377 1
200 . 1 1 21 21 THR HG23 H 1 0.590 0.006 . . . . . . 21 T HG23 . 15377 1
201 . 1 1 21 21 THR C C 13 170.143 0.008 . . . . . . 21 T CO . 15377 1
202 . 1 1 21 21 THR CA C 13 62.574 0.046 . . . . . . 21 T CA . 15377 1
203 . 1 1 21 21 THR CB C 13 71.770 0.115 . . . . . . 21 T CB . 15377 1
204 . 1 1 21 21 THR CG2 C 13 21.704 0.000 . . . . . . 21 T CG . 15377 1
205 . 1 1 21 21 THR N N 15 112.258 0.021 . . . . . . 21 T N . 15377 1
206 . 1 1 22 22 TYR H H 1 8.973 0.010 . . . . . . 22 Y NH . 15377 1
207 . 1 1 22 22 TYR HA H 1 5.313 0.006 . . . . . . 22 Y HA . 15377 1
208 . 1 1 22 22 TYR HB2 H 1 2.762 0.012 . . . . . . 22 Y HB2 . 15377 1
209 . 1 1 22 22 TYR HB3 H 1 2.727 0.007 . . . . . . 22 Y HB3 . 15377 1
210 . 1 1 22 22 TYR HD1 H 1 6.800 0.005 . . . . . . 22 Y HD1 . 15377 1
211 . 1 1 22 22 TYR HD2 H 1 6.800 0.005 . . . . . . 22 Y HD2 . 15377 1
212 . 1 1 22 22 TYR HE1 H 1 6.335 0.005 . . . . . . 22 Y HE1 . 15377 1
213 . 1 1 22 22 TYR HE2 H 1 6.335 0.005 . . . . . . 22 Y HE2 . 15377 1
214 . 1 1 22 22 TYR C C 13 175.050 0.034 . . . . . . 22 Y CO . 15377 1
215 . 1 1 22 22 TYR CA C 13 57.476 0.116 . . . . . . 22 Y CA . 15377 1
216 . 1 1 22 22 TYR CB C 13 39.427 0.069 . . . . . . 22 Y CB . 15377 1
217 . 1 1 22 22 TYR N N 15 125.053 0.041 . . . . . . 22 Y N . 15377 1
218 . 1 1 23 23 PHE H H 1 9.336 0.009 . . . . . . 23 F NH . 15377 1
219 . 1 1 23 23 PHE HA H 1 6.075 0.007 . . . . . . 23 F HA . 15377 1
220 . 1 1 23 23 PHE HB2 H 1 2.894 0.011 . . . . . . 23 F HB2 . 15377 1
221 . 1 1 23 23 PHE HB3 H 1 2.817 0.007 . . . . . . 23 F HB3 . 15377 1
222 . 1 1 23 23 PHE HD1 H 1 7.051 0.006 . . . . . . 23 F HD1 . 15377 1
223 . 1 1 23 23 PHE HD2 H 1 7.051 0.006 . . . . . . 23 F HD2 . 15377 1
224 . 1 1 23 23 PHE HE1 H 1 7.157 0.009 . . . . . . 23 F HE1 . 15377 1
225 . 1 1 23 23 PHE HE2 H 1 7.157 0.009 . . . . . . 23 F HE2 . 15377 1
226 . 1 1 23 23 PHE C C 13 174.875 0.006 . . . . . . 23 F CO . 15377 1
227 . 1 1 23 23 PHE CA C 13 56.870 0.060 . . . . . . 23 F CA . 15377 1
228 . 1 1 23 23 PHE CB C 13 44.043 0.019 . . . . . . 23 F CB . 15377 1
229 . 1 1 23 23 PHE N N 15 119.053 0.022 . . . . . . 23 F N . 15377 1
230 . 1 1 24 24 TYR H H 1 8.904 0.009 . . . . . . 24 Y NH . 15377 1
231 . 1 1 24 24 TYR HA H 1 4.879 0.009 . . . . . . 24 Y HA . 15377 1
232 . 1 1 24 24 TYR HB2 H 1 1.966 0.007 . . . . . . 24 Y HB2 . 15377 1
233 . 1 1 24 24 TYR HB3 H 1 1.316 0.006 . . . . . . 24 Y HB3 . 15377 1
234 . 1 1 24 24 TYR HD1 H 1 6.677 0.010 . . . . . . 24 Y HD1 . 15377 1
235 . 1 1 24 24 TYR HD2 H 1 6.677 0.010 . . . . . . 24 Y HD2 . 15377 1
236 . 1 1 24 24 TYR HE1 H 1 6.800 0.003 . . . . . . 24 Y HE1 . 15377 1
237 . 1 1 24 24 TYR HE2 H 1 6.800 0.003 . . . . . . 24 Y HE2 . 15377 1
238 . 1 1 24 24 TYR C C 13 171.869 0.000 . . . . . . 24 Y CO . 15377 1
239 . 1 1 24 24 TYR CA C 13 55.887 0.000 . . . . . . 24 Y CA . 15377 1
240 . 1 1 24 24 TYR CB C 13 42.329 0.000 . . . . . . 24 Y CB . 15377 1
241 . 1 1 24 24 TYR N N 15 124.896 0.021 . . . . . . 24 Y N . 15377 1
242 . 1 1 25 25 PRO HA H 1 4.632 0.004 . . . . . . 25 P HA . 15377 1
243 . 1 1 25 25 PRO HB2 H 1 2.067 0.008 . . . . . . 25 P HB2 . 15377 1
244 . 1 1 25 25 PRO HB3 H 1 1.504 0.005 . . . . . . 25 P HB3 . 15377 1
245 . 1 1 25 25 PRO HD2 H 1 3.323 0.002 . . . . . . 25 P HD2 . 15377 1
246 . 1 1 25 25 PRO HD3 H 1 1.996 0.005 . . . . . . 25 P HD3 . 15377 1
247 . 1 1 25 25 PRO HG2 H 1 1.548 0.011 . . . . . . 25 P HG2 . 15377 1
248 . 1 1 25 25 PRO HG3 H 1 1.590 0.012 . . . . . . 25 P HG3 . 15377 1
249 . 1 1 25 25 PRO C C 13 174.868 0.005 . . . . . . 25 P CO . 15377 1
250 . 1 1 25 25 PRO CA C 13 64.093 0.062 . . . . . . 25 P CA . 15377 1
251 . 1 1 25 25 PRO CB C 13 32.153 0.152 . . . . . . 25 P CB . 15377 1
252 . 1 1 25 25 PRO CD C 13 50.460 0.000 . . . . . . 25 P CD . 15377 1
253 . 1 1 25 25 PRO CG C 13 27.130 0.000 . . . . . . 25 P CG . 15377 1
254 . 1 1 26 26 CYS H H 1 8.456 0.009 . . . . . . 26 C NH . 15377 1
255 . 1 1 26 26 CYS HA H 1 4.864 0.008 . . . . . . 26 C HA . 15377 1
256 . 1 1 26 26 CYS HB2 H 1 2.063 0.003 . . . . . . 26 C HB2 . 15377 1
257 . 1 1 26 26 CYS HB3 H 1 1.408 0.008 . . . . . . 26 C HB3 . 15377 1
258 . 1 1 26 26 CYS C C 13 176.816 0.000 . . . . . . 26 C CO . 15377 1
259 . 1 1 26 26 CYS CA C 13 55.025 0.000 . . . . . . 26 C CA . 15377 1
260 . 1 1 26 26 CYS CB C 13 31.237 0.000 . . . . . . 26 C CB . 15377 1
261 . 1 1 26 26 CYS N N 15 125.086 0.032 . . . . . . 26 C N . 15377 1
262 . 1 1 27 27 PRO HA H 1 4.249 0.003 . . . . . . 27 P HA . 15377 1
263 . 1 1 27 27 PRO HB2 H 1 2.292 0.006 . . . . . . 27 P HB2 . 15377 1
264 . 1 1 27 27 PRO HB3 H 1 1.838 0.010 . . . . . . 27 P HB3 . 15377 1
265 . 1 1 27 27 PRO HD2 H 1 3.619 0.005 . . . . . . 27 P HD2 . 15377 1
266 . 1 1 27 27 PRO HD3 H 1 3.619 0.005 . . . . . . 27 P HD3 . 15377 1
267 . 1 1 27 27 PRO HG2 H 1 1.771 0.007 . . . . . . 27 P HG2 . 15377 1
268 . 1 1 27 27 PRO HG3 H 1 1.722 0.009 . . . . . . 27 P HG3 . 15377 1
269 . 1 1 27 27 PRO C C 13 178.090 0.002 . . . . . . 27 P CO . 15377 1
270 . 1 1 27 27 PRO CA C 13 64.708 0.124 . . . . . . 27 P CA . 15377 1
271 . 1 1 27 27 PRO CB C 13 32.421 0.014 . . . . . . 27 P CB . 15377 1
272 . 1 1 27 27 PRO CD C 13 52.615 0.000 . . . . . . 27 P CD . 15377 1
273 . 1 1 27 27 PRO CG C 13 27.312 0.000 . . . . . . 27 P CG . 15377 1
274 . 1 1 28 28 CYS H H 1 9.917 0.007 . . . . . . 28 C NH . 15377 1
275 . 1 1 28 28 CYS HA H 1 4.375 0.003 . . . . . . 28 C HA . 15377 1
276 . 1 1 28 28 CYS HB2 H 1 3.104 0.004 . . . . . . 28 C HB2 . 15377 1
277 . 1 1 28 28 CYS HB3 H 1 2.751 0.005 . . . . . . 28 C HB3 . 15377 1
278 . 1 1 28 28 CYS C C 13 176.877 0.009 . . . . . . 28 C CO . 15377 1
279 . 1 1 28 28 CYS CA C 13 60.434 0.065 . . . . . . 28 C CA . 15377 1
280 . 1 1 28 28 CYS CB C 13 29.573 0.022 . . . . . . 28 C CB . 15377 1
281 . 1 1 28 28 CYS N N 15 124.424 0.022 . . . . . . 28 C N . 15377 1
282 . 1 1 29 29 GLY H H 1 8.086 0.009 . . . . . . 29 G NH . 15377 1
283 . 1 1 29 29 GLY HA2 H 1 4.569 0.006 . . . . . . 29 G HA2 . 15377 1
284 . 1 1 29 29 GLY HA3 H 1 3.557 0.005 . . . . . . 29 G HA3 . 15377 1
285 . 1 1 29 29 GLY C C 13 174.183 0.009 . . . . . . 29 G CO . 15377 1
286 . 1 1 29 29 GLY CA C 13 44.643 0.063 . . . . . . 29 G CA . 15377 1
287 . 1 1 29 29 GLY N N 15 111.603 0.022 . . . . . . 29 G N . 15377 1
288 . 1 1 30 30 ASP H H 1 8.553 0.010 . . . . . . 30 D NH . 15377 1
289 . 1 1 30 30 ASP HA H 1 4.692 0.005 . . . . . . 30 D HA . 15377 1
290 . 1 1 30 30 ASP HB2 H 1 3.502 0.006 . . . . . . 30 D HB2 . 15377 1
291 . 1 1 30 30 ASP HB3 H 1 2.172 0.005 . . . . . . 30 D HB3 . 15377 1
292 . 1 1 30 30 ASP C C 13 173.464 0.008 . . . . . . 30 D CO . 15377 1
293 . 1 1 30 30 ASP CA C 13 52.191 0.043 . . . . . . 30 D CA . 15377 1
294 . 1 1 30 30 ASP CB C 13 41.846 0.024 . . . . . . 30 D CB . 15377 1
295 . 1 1 30 30 ASP N N 15 128.125 0.036 . . . . . . 30 D N . 15377 1
296 . 1 1 31 31 ASN H H 1 9.375 0.011 . . . . . . 31 N NH . 15377 1
297 . 1 1 31 31 ASN HA H 1 5.280 0.005 . . . . . . 31 N HA . 15377 1
298 . 1 1 31 31 ASN HB2 H 1 2.653 0.004 . . . . . . 31 N HB2 . 15377 1
299 . 1 1 31 31 ASN HB3 H 1 2.512 0.005 . . . . . . 31 N HB3 . 15377 1
300 . 1 1 31 31 ASN C C 13 175.930 0.008 . . . . . . 31 N CO . 15377 1
301 . 1 1 31 31 ASN CA C 13 53.120 0.156 . . . . . . 31 N CA . 15377 1
302 . 1 1 31 31 ASN CB C 13 42.874 0.063 . . . . . . 31 N CB . 15377 1
303 . 1 1 31 31 ASN N N 15 117.868 0.022 . . . . . . 31 N N . 15377 1
304 . 1 1 32 32 PHE H H 1 9.406 0.010 . . . . . . 32 F NH . 15377 1
305 . 1 1 32 32 PHE HA H 1 4.471 0.006 . . . . . . 32 F HA . 15377 1
306 . 1 1 32 32 PHE HB2 H 1 2.909 0.011 . . . . . . 32 F HB2 . 15377 1
307 . 1 1 32 32 PHE HB3 H 1 2.807 0.007 . . . . . . 32 F HB3 . 15377 1
308 . 1 1 32 32 PHE HD1 H 1 7.154 0.004 . . . . . . 32 F HD1 . 15377 1
309 . 1 1 32 32 PHE HD2 H 1 7.154 0.004 . . . . . . 32 F HD2 . 15377 1
310 . 1 1 32 32 PHE HE1 H 1 7.176 0.008 . . . . . . 32 F HE1 . 15377 1
311 . 1 1 32 32 PHE HE2 H 1 7.176 0.008 . . . . . . 32 F HE2 . 15377 1
312 . 1 1 32 32 PHE C C 13 176.895 0.006 . . . . . . 32 F CO . 15377 1
313 . 1 1 32 32 PHE CA C 13 58.973 0.089 . . . . . . 32 F CA . 15377 1
314 . 1 1 32 32 PHE CB C 13 40.746 0.065 . . . . . . 32 F CB . 15377 1
315 . 1 1 32 32 PHE N N 15 120.771 0.017 . . . . . . 32 F N . 15377 1
316 . 1 1 33 33 SER H H 1 8.499 0.009 . . . . . . 33 S NH . 15377 1
317 . 1 1 33 33 SER HA H 1 5.935 0.004 . . . . . . 33 S HA . 15377 1
318 . 1 1 33 33 SER HB2 H 1 3.832 0.005 . . . . . . 33 S HB2 . 15377 1
319 . 1 1 33 33 SER HB3 H 1 3.529 0.004 . . . . . . 33 S HB3 . 15377 1
320 . 1 1 33 33 SER C C 13 173.250 0.005 . . . . . . 33 S CO . 15377 1
321 . 1 1 33 33 SER CA C 13 56.904 0.060 . . . . . . 33 S CA . 15377 1
322 . 1 1 33 33 SER CB C 13 67.789 0.013 . . . . . . 33 S CB . 15377 1
323 . 1 1 33 33 SER N N 15 114.024 0.016 . . . . . . 33 S N . 15377 1
324 . 1 1 34 34 ILE H H 1 8.669 0.012 . . . . . . 34 I NH . 15377 1
325 . 1 1 34 34 ILE HA H 1 4.753 0.003 . . . . . . 34 I HA . 15377 1
326 . 1 1 34 34 ILE HB H 1 1.659 0.007 . . . . . . 34 I HB . 15377 1
327 . 1 1 34 34 ILE HD11 H 1 0.399 0.004 . . . . . . 34 I HD11 . 15377 1
328 . 1 1 34 34 ILE HD12 H 1 0.399 0.004 . . . . . . 34 I HD12 . 15377 1
329 . 1 1 34 34 ILE HD13 H 1 0.399 0.004 . . . . . . 34 I HD13 . 15377 1
330 . 1 1 34 34 ILE HG12 H 1 1.811 0.007 . . . . . . 34 I HG12 . 15377 1
331 . 1 1 34 34 ILE HG13 H 1 1.084 0.008 . . . . . . 34 I HG13 . 15377 1
332 . 1 1 34 34 ILE HG21 H 1 0.395 0.008 . . . . . . 34 I HG21 . 15377 1
333 . 1 1 34 34 ILE HG22 H 1 0.395 0.008 . . . . . . 34 I HG22 . 15377 1
334 . 1 1 34 34 ILE HG23 H 1 0.395 0.008 . . . . . . 34 I HG23 . 15377 1
335 . 1 1 34 34 ILE C C 13 173.138 0.016 . . . . . . 34 I CO . 15377 1
336 . 1 1 34 34 ILE CA C 13 60.651 0.076 . . . . . . 34 I CA . 15377 1
337 . 1 1 34 34 ILE CB C 13 41.564 0.051 . . . . . . 34 I CB . 15377 1
338 . 1 1 34 34 ILE CG1 C 13 29.450 0.070 . . . . . . 34 I CG1 . 15377 1
339 . 1 1 34 34 ILE CG2 C 13 15.063 0.000 . . . . . . 34 I CG2 . 15377 1
340 . 1 1 34 34 ILE N N 15 120.690 0.039 . . . . . . 34 I N . 15377 1
341 . 1 1 35 35 THR H H 1 8.934 0.008 . . . . . . 35 T NH . 15377 1
342 . 1 1 35 35 THR HA H 1 4.870 0.008 . . . . . . 35 T HA . 15377 1
343 . 1 1 35 35 THR HB H 1 4.884 0.007 . . . . . . 35 T HB . 15377 1
344 . 1 1 35 35 THR HG21 H 1 1.356 0.004 . . . . . . 35 T HG21 . 15377 1
345 . 1 1 35 35 THR HG22 H 1 1.356 0.004 . . . . . . 35 T HG22 . 15377 1
346 . 1 1 35 35 THR HG23 H 1 1.356 0.004 . . . . . . 35 T HG23 . 15377 1
347 . 1 1 35 35 THR C C 13 174.831 0.004 . . . . . . 35 T CO . 15377 1
348 . 1 1 35 35 THR CA C 13 61.373 0.216 . . . . . . 35 T CA . 15377 1
349 . 1 1 35 35 THR CB C 13 71.106 0.096 . . . . . . 35 T CB . 15377 1
350 . 1 1 35 35 THR CG2 C 13 22.118 0.000 . . . . . . 35 T CG . 15377 1
351 . 1 1 35 35 THR N N 15 118.587 0.032 . . . . . . 35 T N . 15377 1
352 . 1 1 36 36 LYS H H 1 8.660 0.012 . . . . . . 36 K NH . 15377 1
353 . 1 1 36 36 LYS HA H 1 3.979 0.004 . . . . . . 36 K HA . 15377 1
354 . 1 1 36 36 LYS HB2 H 1 2.086 0.006 . . . . . . 36 K HB2 . 15377 1
355 . 1 1 36 36 LYS HB3 H 1 1.936 0.011 . . . . . . 36 K HB3 . 15377 1
356 . 1 1 36 36 LYS HD2 H 1 1.818 0.006 . . . . . . 36 K HD2 . 15377 1
357 . 1 1 36 36 LYS HD3 H 1 1.700 0.006 . . . . . . 36 K HD3 . 15377 1
358 . 1 1 36 36 LYS HE2 H 1 2.978 0.005 . . . . . . 36 K HE2 . 15377 1
359 . 1 1 36 36 LYS HE3 H 1 2.978 0.005 . . . . . . 36 K HE3 . 15377 1
360 . 1 1 36 36 LYS HG2 H 1 1.538 0.013 . . . . . . 36 K HG2 . 15377 1
361 . 1 1 36 36 LYS HG3 H 1 1.482 0.007 . . . . . . 36 K HG3 . 15377 1
362 . 1 1 36 36 LYS C C 13 177.487 0.005 . . . . . . 36 K CO . 15377 1
363 . 1 1 36 36 LYS CA C 13 60.752 0.053 . . . . . . 36 K CA . 15377 1
364 . 1 1 36 36 LYS CB C 13 33.332 0.043 . . . . . . 36 K CB . 15377 1
365 . 1 1 36 36 LYS CD C 13 29.564 0.098 . . . . . . 36 K CD . 15377 1
366 . 1 1 36 36 LYS CE C 13 41.721 0.110 . . . . . . 36 K CE . 15377 1
367 . 1 1 36 36 LYS CG C 13 24.802 0.060 . . . . . . 36 K CG . 15377 1
368 . 1 1 36 36 LYS N N 15 121.028 0.042 . . . . . . 36 K N . 15377 1
369 . 1 1 37 37 GLU H H 1 8.367 0.009 . . . . . . 37 E NH . 15377 1
370 . 1 1 37 37 GLU HA H 1 3.997 0.005 . . . . . . 37 E HA . 15377 1
371 . 1 1 37 37 GLU HB2 H 1 1.994 0.009 . . . . . . 37 E HB2 . 15377 1
372 . 1 1 37 37 GLU HB3 H 1 1.907 0.007 . . . . . . 37 E HB3 . 15377 1
373 . 1 1 37 37 GLU HG2 H 1 2.269 0.007 . . . . . . 37 E HG2 . 15377 1
374 . 1 1 37 37 GLU HG3 H 1 2.181 0.010 . . . . . . 37 E HG3 . 15377 1
375 . 1 1 37 37 GLU C C 13 177.992 0.001 . . . . . . 37 E CO . 15377 1
376 . 1 1 37 37 GLU CA C 13 59.513 0.049 . . . . . . 37 E CA . 15377 1
377 . 1 1 37 37 GLU CB C 13 29.663 0.047 . . . . . . 37 E CB . 15377 1
378 . 1 1 37 37 GLU CG C 13 36.308 0.107 . . . . . . 37 E CG . 15377 1
379 . 1 1 37 37 GLU N N 15 117.780 0.025 . . . . . . 37 E N . 15377 1
380 . 1 1 38 38 ASP H H 1 7.943 0.011 . . . . . . 38 D NH . 15377 1
381 . 1 1 38 38 ASP HA H 1 4.352 0.004 . . . . . . 38 D HA . 15377 1
382 . 1 1 38 38 ASP HB2 H 1 3.065 0.007 . . . . . . 38 D HB2 . 15377 1
383 . 1 1 38 38 ASP HB3 H 1 2.324 0.009 . . . . . . 38 D HB3 . 15377 1
384 . 1 1 38 38 ASP C C 13 178.821 0.009 . . . . . . 38 D CO . 15377 1
385 . 1 1 38 38 ASP CA C 13 57.804 0.066 . . . . . . 38 D CA . 15377 1
386 . 1 1 38 38 ASP CB C 13 39.342 0.023 . . . . . . 38 D CB . 15377 1
387 . 1 1 38 38 ASP N N 15 120.207 0.027 . . . . . . 38 D N . 15377 1
388 . 1 1 39 39 LEU H H 1 7.627 0.008 . . . . . . 39 L NH . 15377 1
389 . 1 1 39 39 LEU HA H 1 3.925 0.006 . . . . . . 39 L HA . 15377 1
390 . 1 1 39 39 LEU HB2 H 1 1.315 0.007 . . . . . . 39 L HB2 . 15377 1
391 . 1 1 39 39 LEU HB3 H 1 0.247 0.010 . . . . . . 39 L HB3 . 15377 1
392 . 1 1 39 39 LEU HD11 H 1 -0.400 0.012 . . . . . . 39 L HD11 . 15377 1
393 . 1 1 39 39 LEU HD12 H 1 -0.400 0.012 . . . . . . 39 L HD12 . 15377 1
394 . 1 1 39 39 LEU HD13 H 1 -0.400 0.012 . . . . . . 39 L HD13 . 15377 1
395 . 1 1 39 39 LEU HD21 H 1 -0.581 0.009 . . . . . . 39 L HD21 . 15377 1
396 . 1 1 39 39 LEU HD22 H 1 -0.581 0.009 . . . . . . 39 L HD22 . 15377 1
397 . 1 1 39 39 LEU HD23 H 1 -0.581 0.009 . . . . . . 39 L HD23 . 15377 1
398 . 1 1 39 39 LEU HG H 1 1.012 0.011 . . . . . . 39 L HG . 15377 1
399 . 1 1 39 39 LEU C C 13 181.325 0.007 . . . . . . 39 L CO . 15377 1
400 . 1 1 39 39 LEU CA C 13 57.781 0.065 . . . . . . 39 L CA . 15377 1
401 . 1 1 39 39 LEU CB C 13 40.911 0.062 . . . . . . 39 L CB . 15377 1
402 . 1 1 39 39 LEU CD1 C 13 22.225 0.060 . . . . . . 39 L CD . 15377 1
403 . 1 1 39 39 LEU CD2 C 13 22.225 0.060 . . . . . . 39 L CD . 15377 1
404 . 1 1 39 39 LEU CG C 13 26.667 0.017 . . . . . . 39 L CG . 15377 1
405 . 1 1 39 39 LEU N N 15 121.874 0.011 . . . . . . 39 L N . 15377 1
406 . 1 1 40 40 GLU H H 1 8.428 0.008 . . . . . . 40 E NH . 15377 1
407 . 1 1 40 40 GLU HA H 1 4.011 0.006 . . . . . . 40 E HA . 15377 1
408 . 1 1 40 40 GLU HB2 H 1 2.261 0.005 . . . . . . 40 E HB2 . 15377 1
409 . 1 1 40 40 GLU HB3 H 1 1.935 0.004 . . . . . . 40 E HB3 . 15377 1
410 . 1 1 40 40 GLU HG2 H 1 2.583 0.005 . . . . . . 40 E HG2 . 15377 1
411 . 1 1 40 40 GLU HG3 H 1 2.248 0.006 . . . . . . 40 E HG3 . 15377 1
412 . 1 1 40 40 GLU C C 13 177.843 0.003 . . . . . . 40 E CO . 15377 1
413 . 1 1 40 40 GLU CA C 13 58.986 0.078 . . . . . . 40 E CA . 15377 1
414 . 1 1 40 40 GLU CB C 13 29.136 0.097 . . . . . . 40 E CB . 15377 1
415 . 1 1 40 40 GLU CG C 13 36.781 0.076 . . . . . . 40 E CG . 15377 1
416 . 1 1 40 40 GLU N N 15 119.906 0.021 . . . . . . 40 E N . 15377 1
417 . 1 1 41 41 ASN H H 1 7.682 0.009 . . . . . . 41 N NH . 15377 1
418 . 1 1 41 41 ASN HA H 1 4.824 0.006 . . . . . . 41 N HA . 15377 1
419 . 1 1 41 41 ASN HB2 H 1 3.053 0.003 . . . . . . 41 N HB2 . 15377 1
420 . 1 1 41 41 ASN HB3 H 1 2.896 0.006 . . . . . . 41 N HB3 . 15377 1
421 . 1 1 41 41 ASN C C 13 175.915 0.007 . . . . . . 41 N CO . 15377 1
422 . 1 1 41 41 ASN CA C 13 53.099 0.063 . . . . . . 41 N CA . 15377 1
423 . 1 1 41 41 ASN CB C 13 39.463 0.028 . . . . . . 41 N CB . 15377 1
424 . 1 1 41 41 ASN N N 15 115.760 0.008 . . . . . . 41 N N . 15377 1
425 . 1 1 42 42 GLY H H 1 8.028 0.010 . . . . . . 42 G NH . 15377 1
426 . 1 1 42 42 GLY HA2 H 1 4.064 0.007 . . . . . . 42 G HA2 . 15377 1
427 . 1 1 42 42 GLY HA3 H 1 3.926 0.005 . . . . . . 42 G HA3 . 15377 1
428 . 1 1 42 42 GLY C C 13 174.972 0.005 . . . . . . 42 G CO . 15377 1
429 . 1 1 42 42 GLY CA C 13 46.194 0.046 . . . . . . 42 G CA . 15377 1
430 . 1 1 42 42 GLY N N 15 109.295 0.029 . . . . . . 42 G N . 15377 1
431 . 1 1 43 43 GLU H H 1 8.158 0.009 . . . . . . 43 E NH . 15377 1
432 . 1 1 43 43 GLU HA H 1 4.298 0.010 . . . . . . 43 E HA . 15377 1
433 . 1 1 43 43 GLU HB2 H 1 2.117 0.007 . . . . . . 43 E HB2 . 15377 1
434 . 1 1 43 43 GLU HB3 H 1 1.658 0.006 . . . . . . 43 E HB3 . 15377 1
435 . 1 1 43 43 GLU HG2 H 1 2.290 0.008 . . . . . . 43 E HG2 . 15377 1
436 . 1 1 43 43 GLU HG3 H 1 2.290 0.008 . . . . . . 43 E HG3 . 15377 1
437 . 1 1 43 43 GLU C C 13 176.871 0.017 . . . . . . 43 E CO . 15377 1
438 . 1 1 43 43 GLU CA C 13 56.308 0.081 . . . . . . 43 E CA . 15377 1
439 . 1 1 43 43 GLU CB C 13 30.088 0.043 . . . . . . 43 E CB . 15377 1
440 . 1 1 43 43 GLU CG C 13 35.645 0.087 . . . . . . 43 E CG . 15377 1
441 . 1 1 43 43 GLU N N 15 120.643 0.051 . . . . . . 43 E N . 15377 1
442 . 1 1 44 44 ASP H H 1 8.470 0.009 . . . . . . 44 D NH . 15377 1
443 . 1 1 44 44 ASP HA H 1 4.563 0.006 . . . . . . 44 D HA . 15377 1
444 . 1 1 44 44 ASP HB2 H 1 3.317 0.007 . . . . . . 44 D HB2 . 15377 1
445 . 1 1 44 44 ASP HB3 H 1 2.352 0.005 . . . . . . 44 D HB3 . 15377 1
446 . 1 1 44 44 ASP C C 13 173.907 0.016 . . . . . . 44 D CO . 15377 1
447 . 1 1 44 44 ASP CA C 13 53.229 0.073 . . . . . . 44 D CA . 15377 1
448 . 1 1 44 44 ASP CB C 13 41.617 0.023 . . . . . . 44 D CB . 15377 1
449 . 1 1 44 44 ASP N N 15 119.530 0.049 . . . . . . 44 D N . 15377 1
450 . 1 1 45 45 VAL H H 1 7.331 0.010 . . . . . . 45 V NH . 15377 1
451 . 1 1 45 45 VAL HA H 1 4.911 0.007 . . . . . . 45 V HA . 15377 1
452 . 1 1 45 45 VAL HB H 1 2.022 0.007 . . . . . . 45 V HB . 15377 1
453 . 1 1 45 45 VAL HG11 H 1 1.047 0.007 . . . . . . 45 V HG11 . 15377 1
454 . 1 1 45 45 VAL HG12 H 1 1.047 0.007 . . . . . . 45 V HG12 . 15377 1
455 . 1 1 45 45 VAL HG13 H 1 1.047 0.007 . . . . . . 45 V HG13 . 15377 1
456 . 1 1 45 45 VAL HG21 H 1 0.958 0.006 . . . . . . 45 V HG21 . 15377 1
457 . 1 1 45 45 VAL HG22 H 1 0.958 0.006 . . . . . . 45 V HG22 . 15377 1
458 . 1 1 45 45 VAL HG23 H 1 0.958 0.006 . . . . . . 45 V HG23 . 15377 1
459 . 1 1 45 45 VAL C C 13 174.920 0.006 . . . . . . 45 V CO . 15377 1
460 . 1 1 45 45 VAL CA C 13 61.265 0.145 . . . . . . 45 V CA . 15377 1
461 . 1 1 45 45 VAL CB C 13 34.356 0.036 . . . . . . 45 V CB . 15377 1
462 . 1 1 45 45 VAL CG1 C 13 21.545 0.000 . . . . . . 45 V CG1 . 15377 1
463 . 1 1 45 45 VAL CG2 C 13 22.221 0.043 . . . . . . 45 V CG2 . 15377 1
464 . 1 1 45 45 VAL N N 15 116.507 0.025 . . . . . . 45 V N . 15377 1
465 . 1 1 46 46 ALA H H 1 8.927 0.009 . . . . . . 46 A NH . 15377 1
466 . 1 1 46 46 ALA HA H 1 4.973 0.006 . . . . . . 46 A HA . 15377 1
467 . 1 1 46 46 ALA HB1 H 1 1.177 0.005 . . . . . . 46 A HB1 . 15377 1
468 . 1 1 46 46 ALA HB2 H 1 1.177 0.005 . . . . . . 46 A HB2 . 15377 1
469 . 1 1 46 46 ALA HB3 H 1 1.177 0.005 . . . . . . 46 A HB3 . 15377 1
470 . 1 1 46 46 ALA C C 13 175.573 0.012 . . . . . . 46 A CO . 15377 1
471 . 1 1 46 46 ALA CA C 13 50.317 0.048 . . . . . . 46 A CA . 15377 1
472 . 1 1 46 46 ALA CB C 13 21.068 0.029 . . . . . . 46 A CB . 15377 1
473 . 1 1 46 46 ALA N N 15 129.137 0.052 . . . . . . 46 A N . 15377 1
474 . 1 1 47 47 THR H H 1 8.045 0.009 . . . . . . 47 T NH . 15377 1
475 . 1 1 47 47 THR HA H 1 5.311 0.006 . . . . . . 47 T HA . 15377 1
476 . 1 1 47 47 THR HB H 1 4.119 0.009 . . . . . . 47 T HB . 15377 1
477 . 1 1 47 47 THR HG21 H 1 1.180 0.003 . . . . . . 47 T HG21 . 15377 1
478 . 1 1 47 47 THR HG22 H 1 1.180 0.003 . . . . . . 47 T HG22 . 15377 1
479 . 1 1 47 47 THR HG23 H 1 1.180 0.003 . . . . . . 47 T HG23 . 15377 1
480 . 1 1 47 47 THR C C 13 174.128 0.016 . . . . . . 47 T CO . 15377 1
481 . 1 1 47 47 THR CA C 13 61.303 0.161 . . . . . . 47 T CA . 15377 1
482 . 1 1 47 47 THR CB C 13 71.051 0.096 . . . . . . 47 T CB . 15377 1
483 . 1 1 47 47 THR CG2 C 13 21.389 0.000 . . . . . . 47 T CG . 15377 1
484 . 1 1 47 47 THR N N 15 114.564 0.024 . . . . . . 47 T N . 15377 1
485 . 1 1 48 48 CYS H H 1 9.113 0.009 . . . . . . 48 C NH . 15377 1
486 . 1 1 48 48 CYS HA H 1 5.170 0.006 . . . . . . 48 C HA . 15377 1
487 . 1 1 48 48 CYS HB2 H 1 2.878 0.005 . . . . . . 48 C HB2 . 15377 1
488 . 1 1 48 48 CYS HB3 H 1 2.184 0.008 . . . . . . 48 C HB3 . 15377 1
489 . 1 1 48 48 CYS C C 13 175.966 0.000 . . . . . . 48 C CO . 15377 1
490 . 1 1 48 48 CYS CA C 13 55.832 0.000 . . . . . . 48 C CA . 15377 1
491 . 1 1 48 48 CYS CB C 13 31.446 0.000 . . . . . . 48 C CB . 15377 1
492 . 1 1 48 48 CYS N N 15 131.497 0.019 . . . . . . 48 C N . 15377 1
493 . 1 1 49 49 PRO HA H 1 4.451 0.004 . . . . . . 49 P HA . 15377 1
494 . 1 1 49 49 PRO HB2 H 1 2.281 0.005 . . . . . . 49 P HB2 . 15377 1
495 . 1 1 49 49 PRO HB3 H 1 1.993 0.005 . . . . . . 49 P HB3 . 15377 1
496 . 1 1 49 49 PRO HD2 H 1 4.318 0.006 . . . . . . 49 P HD2 . 15377 1
497 . 1 1 49 49 PRO HD3 H 1 4.144 0.006 . . . . . . 49 P HD3 . 15377 1
498 . 1 1 49 49 PRO HG2 H 1 2.168 0.005 . . . . . . 49 P HG2 . 15377 1
499 . 1 1 49 49 PRO HG3 H 1 2.068 0.008 . . . . . . 49 P HG3 . 15377 1
500 . 1 1 49 49 PRO C C 13 177.961 0.001 . . . . . . 49 P CO . 15377 1
501 . 1 1 49 49 PRO CA C 13 64.042 0.112 . . . . . . 49 P CA . 15377 1
502 . 1 1 49 49 PRO CB C 13 32.317 0.182 . . . . . . 49 P CB . 15377 1
503 . 1 1 49 49 PRO CD C 13 52.359 0.000 . . . . . . 49 P CD . 15377 1
504 . 1 1 49 49 PRO CG C 13 26.334 0.000 . . . . . . 49 P CG . 15377 1
505 . 1 1 50 50 SER H H 1 9.395 0.010 . . . . . . 50 S NH . 15377 1
506 . 1 1 50 50 SER HA H 1 4.468 0.003 . . . . . . 50 S HA . 15377 1
507 . 1 1 50 50 SER HB2 H 1 3.778 0.006 . . . . . . 50 S HB2 . 15377 1
508 . 1 1 50 50 SER HB3 H 1 3.684 0.007 . . . . . . 50 S HB3 . 15377 1
509 . 1 1 50 50 SER C C 13 174.431 0.002 . . . . . . 50 S CO . 15377 1
510 . 1 1 50 50 SER CA C 13 61.417 0.134 . . . . . . 50 S CA . 15377 1
511 . 1 1 50 50 SER CB C 13 64.428 0.136 . . . . . . 50 S CB . 15377 1
512 . 1 1 50 50 SER N N 15 118.883 0.038 . . . . . . 50 S N . 15377 1
513 . 1 1 51 51 CYS H H 1 8.635 0.010 . . . . . . 51 C NH . 15377 1
514 . 1 1 51 51 CYS HA H 1 4.972 0.003 . . . . . . 51 C HA . 15377 1
515 . 1 1 51 51 CYS HB2 H 1 2.977 0.004 . . . . . . 51 C HB2 . 15377 1
516 . 1 1 51 51 CYS HB3 H 1 2.498 0.004 . . . . . . 51 C HB3 . 15377 1
517 . 1 1 51 51 CYS C C 13 176.030 0.010 . . . . . . 51 C CO . 15377 1
518 . 1 1 51 51 CYS CA C 13 59.013 0.107 . . . . . . 51 C CA . 15377 1
519 . 1 1 51 51 CYS CB C 13 31.478 0.054 . . . . . . 51 C CB . 15377 1
520 . 1 1 51 51 CYS N N 15 124.460 0.017 . . . . . . 51 C N . 15377 1
521 . 1 1 52 52 SER H H 1 7.714 0.008 . . . . . . 52 S NH . 15377 1
522 . 1 1 52 52 SER HA H 1 4.347 0.006 . . . . . . 52 S HA . 15377 1
523 . 1 1 52 52 SER HB2 H 1 4.128 0.006 . . . . . . 52 S HB2 . 15377 1
524 . 1 1 52 52 SER HB3 H 1 3.997 0.004 . . . . . . 52 S HB3 . 15377 1
525 . 1 1 52 52 SER C C 13 174.541 0.003 . . . . . . 52 S CO . 15377 1
526 . 1 1 52 52 SER CA C 13 60.217 0.134 . . . . . . 52 S CA . 15377 1
527 . 1 1 52 52 SER CB C 13 62.691 0.237 . . . . . . 52 S CB . 15377 1
528 . 1 1 52 52 SER N N 15 113.102 0.018 . . . . . . 52 S N . 15377 1
529 . 1 1 53 53 LEU H H 1 8.746 0.009 . . . . . . 53 L NH . 15377 1
530 . 1 1 53 53 LEU HA H 1 4.424 0.004 . . . . . . 53 L HA . 15377 1
531 . 1 1 53 53 LEU HB2 H 1 2.104 0.012 . . . . . . 53 L HB2 . 15377 1
532 . 1 1 53 53 LEU HB3 H 1 1.347 0.006 . . . . . . 53 L HB3 . 15377 1
533 . 1 1 53 53 LEU HD11 H 1 0.640 0.006 . . . . . . 53 L HD11 . 15377 1
534 . 1 1 53 53 LEU HD12 H 1 0.640 0.006 . . . . . . 53 L HD12 . 15377 1
535 . 1 1 53 53 LEU HD13 H 1 0.640 0.006 . . . . . . 53 L HD13 . 15377 1
536 . 1 1 53 53 LEU HD21 H 1 0.910 0.006 . . . . . . 53 L HD21 . 15377 1
537 . 1 1 53 53 LEU HD22 H 1 0.910 0.006 . . . . . . 53 L HD22 . 15377 1
538 . 1 1 53 53 LEU HD23 H 1 0.910 0.006 . . . . . . 53 L HD23 . 15377 1
539 . 1 1 53 53 LEU HG H 1 2.087 0.001 . . . . . . 53 L HG . 15377 1
540 . 1 1 53 53 LEU C C 13 176.008 0.009 . . . . . . 53 L CO . 15377 1
541 . 1 1 53 53 LEU CA C 13 56.873 0.128 . . . . . . 53 L CA . 15377 1
542 . 1 1 53 53 LEU CB C 13 43.563 0.067 . . . . . . 53 L CB . 15377 1
543 . 1 1 53 53 LEU CD1 C 13 25.169 0.037 . . . . . . 53 L CD1 . 15377 1
544 . 1 1 53 53 LEU CD2 C 13 22.970 0.110 . . . . . . 53 L CD2 . 15377 1
545 . 1 1 53 53 LEU CG C 13 27.285 0.069 . . . . . . 53 L CG . 15377 1
546 . 1 1 53 53 LEU N N 15 125.504 0.063 . . . . . . 53 L N . 15377 1
547 . 1 1 54 54 ILE H H 1 7.947 0.010 . . . . . . 54 I NH . 15377 1
548 . 1 1 54 54 ILE HA H 1 5.524 0.009 . . . . . . 54 I HA . 15377 1
549 . 1 1 54 54 ILE HB H 1 1.869 0.005 . . . . . . 54 I HB . 15377 1
550 . 1 1 54 54 ILE HD11 H 1 0.643 0.006 . . . . . . 54 I HD11 . 15377 1
551 . 1 1 54 54 ILE HD12 H 1 0.643 0.006 . . . . . . 54 I HD12 . 15377 1
552 . 1 1 54 54 ILE HD13 H 1 0.643 0.006 . . . . . . 54 I HD13 . 15377 1
553 . 1 1 54 54 ILE HG12 H 1 1.639 0.005 . . . . . . 54 I HG12 . 15377 1
554 . 1 1 54 54 ILE HG13 H 1 1.137 0.007 . . . . . . 54 I HG13 . 15377 1
555 . 1 1 54 54 ILE HG21 H 1 1.005 0.007 . . . . . . 54 I HG21 . 15377 1
556 . 1 1 54 54 ILE HG22 H 1 1.005 0.007 . . . . . . 54 I HG22 . 15377 1
557 . 1 1 54 54 ILE HG23 H 1 1.005 0.007 . . . . . . 54 I HG23 . 15377 1
558 . 1 1 54 54 ILE C C 13 175.410 0.014 . . . . . . 54 I CO . 15377 1
559 . 1 1 54 54 ILE CA C 13 59.800 0.108 . . . . . . 54 I CA . 15377 1
560 . 1 1 54 54 ILE CB C 13 42.663 0.125 . . . . . . 54 I CB . 15377 1
561 . 1 1 54 54 ILE CD1 C 13 14.348 0.000 . . . . . . 54 I CD . 15377 1
562 . 1 1 54 54 ILE CG1 C 13 26.133 0.029 . . . . . . 54 I CG1 . 15377 1
563 . 1 1 54 54 ILE CG2 C 13 19.332 0.000 . . . . . . 54 I CG2 . 15377 1
564 . 1 1 54 54 ILE N N 15 113.094 0.018 . . . . . . 54 I N . 15377 1
565 . 1 1 55 55 ILE H H 1 8.579 0.010 . . . . . . 55 I NH . 15377 1
566 . 1 1 55 55 ILE HA H 1 4.873 0.006 . . . . . . 55 I HA . 15377 1
567 . 1 1 55 55 ILE HB H 1 1.237 0.008 . . . . . . 55 I HB . 15377 1
568 . 1 1 55 55 ILE HD11 H 1 0.095 0.006 . . . . . . 55 I HD11 . 15377 1
569 . 1 1 55 55 ILE HD12 H 1 0.095 0.006 . . . . . . 55 I HD12 . 15377 1
570 . 1 1 55 55 ILE HD13 H 1 0.095 0.006 . . . . . . 55 I HD13 . 15377 1
571 . 1 1 55 55 ILE HG12 H 1 0.958 0.011 . . . . . . 55 I HG12 . 15377 1
572 . 1 1 55 55 ILE HG13 H 1 0.112 0.009 . . . . . . 55 I HG13 . 15377 1
573 . 1 1 55 55 ILE HG21 H 1 0.183 0.007 . . . . . . 55 I HG21 . 15377 1
574 . 1 1 55 55 ILE HG22 H 1 0.183 0.007 . . . . . . 55 I HG22 . 15377 1
575 . 1 1 55 55 ILE HG23 H 1 0.183 0.007 . . . . . . 55 I HG23 . 15377 1
576 . 1 1 55 55 ILE C C 13 173.426 0.005 . . . . . . 55 I CO . 15377 1
577 . 1 1 55 55 ILE CA C 13 59.447 0.093 . . . . . . 55 I CA . 15377 1
578 . 1 1 55 55 ILE CB C 13 41.220 0.081 . . . . . . 55 I CB . 15377 1
579 . 1 1 55 55 ILE CD1 C 13 14.707 0.000 . . . . . . 55 I CD . 15377 1
580 . 1 1 55 55 ILE CG1 C 13 25.367 0.034 . . . . . . 55 I CG1 . 15377 1
581 . 1 1 55 55 ILE CG2 C 13 19.117 0.000 . . . . . . 55 I CG2 . 15377 1
582 . 1 1 55 55 ILE N N 15 115.361 0.022 . . . . . . 55 I N . 15377 1
583 . 1 1 56 56 LYS H H 1 7.796 0.008 . . . . . . 56 K NH . 15377 1
584 . 1 1 56 56 LYS HA H 1 4.517 0.004 . . . . . . 56 K HA . 15377 1
585 . 1 1 56 56 LYS HB2 H 1 1.080 0.010 . . . . . . 56 K HB2 . 15377 1
586 . 1 1 56 56 LYS HB3 H 1 0.133 0.010 . . . . . . 56 K HB3 . 15377 1
587 . 1 1 56 56 LYS HD2 H 1 1.232 0.012 . . . . . . 56 K HD2 . 15377 1
588 . 1 1 56 56 LYS HD3 H 1 1.186 0.009 . . . . . . 56 K HD3 . 15377 1
589 . 1 1 56 56 LYS HE2 H 1 2.577 0.004 . . . . . . 56 K HE2 . 15377 1
590 . 1 1 56 56 LYS HE3 H 1 2.577 0.004 . . . . . . 56 K HE3 . 15377 1
591 . 1 1 56 56 LYS HG2 H 1 0.898 0.008 . . . . . . 56 K HG2 . 15377 1
592 . 1 1 56 56 LYS HG3 H 1 0.898 0.008 . . . . . . 56 K HG3 . 15377 1
593 . 1 1 56 56 LYS C C 13 174.404 0.009 . . . . . . 56 K CO . 15377 1
594 . 1 1 56 56 LYS CA C 13 54.179 0.110 . . . . . . 56 K CA . 15377 1
595 . 1 1 56 56 LYS CB C 13 33.334 0.065 . . . . . . 56 K CB . 15377 1
596 . 1 1 56 56 LYS CD C 13 28.681 0.091 . . . . . . 56 K CD . 15377 1
597 . 1 1 56 56 LYS CE C 13 42.181 0.000 . . . . . . 56 K CE . 15377 1
598 . 1 1 56 56 LYS CG C 13 24.923 0.000 . . . . . . 56 K CG . 15377 1
599 . 1 1 56 56 LYS N N 15 123.840 0.017 . . . . . . 56 K N . 15377 1
600 . 1 1 57 57 VAL H H 1 8.770 0.009 . . . . . . 57 V NH . 15377 1
601 . 1 1 57 57 VAL HA H 1 4.355 0.006 . . . . . . 57 V HA . 15377 1
602 . 1 1 57 57 VAL HB H 1 1.492 0.006 . . . . . . 57 V HB . 15377 1
603 . 1 1 57 57 VAL HG11 H 1 0.510 0.005 . . . . . . 57 V HG11 . 15377 1
604 . 1 1 57 57 VAL HG12 H 1 0.510 0.005 . . . . . . 57 V HG12 . 15377 1
605 . 1 1 57 57 VAL HG13 H 1 0.510 0.005 . . . . . . 57 V HG13 . 15377 1
606 . 1 1 57 57 VAL HG21 H 1 0.250 0.006 . . . . . . 57 V HG21 . 15377 1
607 . 1 1 57 57 VAL HG22 H 1 0.250 0.006 . . . . . . 57 V HG22 . 15377 1
608 . 1 1 57 57 VAL HG23 H 1 0.250 0.006 . . . . . . 57 V HG23 . 15377 1
609 . 1 1 57 57 VAL C C 13 175.112 0.007 . . . . . . 57 V CO . 15377 1
610 . 1 1 57 57 VAL CA C 13 61.259 0.129 . . . . . . 57 V CA . 15377 1
611 . 1 1 57 57 VAL CB C 13 32.203 0.011 . . . . . . 57 V CB . 15377 1
612 . 1 1 57 57 VAL CG1 C 13 22.210 0.028 . . . . . . 57 V CG1 . 15377 1
613 . 1 1 57 57 VAL N N 15 127.133 0.024 . . . . . . 57 V N . 15377 1
614 . 1 1 58 58 ILE H H 1 8.477 0.008 . . . . . . 58 I NH . 15377 1
615 . 1 1 58 58 ILE HA H 1 4.068 0.007 . . . . . . 58 I HA . 15377 1
616 . 1 1 58 58 ILE HB H 1 1.545 0.006 . . . . . . 58 I HB . 15377 1
617 . 1 1 58 58 ILE HD11 H 1 0.523 0.006 . . . . . . 58 I HD11 . 15377 1
618 . 1 1 58 58 ILE HD12 H 1 0.523 0.006 . . . . . . 58 I HD12 . 15377 1
619 . 1 1 58 58 ILE HD13 H 1 0.523 0.006 . . . . . . 58 I HD13 . 15377 1
620 . 1 1 58 58 ILE HG12 H 1 1.151 0.007 . . . . . . 58 I HG12 . 15377 1
621 . 1 1 58 58 ILE HG13 H 1 0.938 0.010 . . . . . . 58 I HG13 . 15377 1
622 . 1 1 58 58 ILE HG21 H 1 0.771 0.007 . . . . . . 58 I HG21 . 15377 1
623 . 1 1 58 58 ILE HG22 H 1 0.771 0.007 . . . . . . 58 I HG22 . 15377 1
624 . 1 1 58 58 ILE HG23 H 1 0.771 0.007 . . . . . . 58 I HG23 . 15377 1
625 . 1 1 58 58 ILE C C 13 174.505 1.239 . . . . . . 58 I CO . 15377 1
626 . 1 1 58 58 ILE CA C 13 59.773 0.080 . . . . . . 58 I CA . 15377 1
627 . 1 1 58 58 ILE CB C 13 37.482 0.058 . . . . . . 58 I CB . 15377 1
628 . 1 1 58 58 ILE CD1 C 13 11.538 0.000 . . . . . . 58 I CD . 15377 1
629 . 1 1 58 58 ILE CG1 C 13 26.005 0.062 . . . . . . 58 I CG1 . 15377 1
630 . 1 1 58 58 ILE CG2 C 13 17.072 0.000 . . . . . . 58 I CG2 . 15377 1
631 . 1 1 58 58 ILE N N 15 128.460 0.019 . . . . . . 58 I N . 15377 1
632 . 1 1 59 59 TYR H H 1 7.902 0.009 . . . . . . 59 Y NH . 15377 1
633 . 1 1 59 59 TYR HA H 1 4.748 0.006 . . . . . . 59 Y HA . 15377 1
634 . 1 1 59 59 TYR HB2 H 1 2.728 0.010 . . . . . . 59 Y HB2 . 15377 1
635 . 1 1 59 59 TYR HB3 H 1 2.702 0.008 . . . . . . 59 Y HB3 . 15377 1
636 . 1 1 59 59 TYR HD1 H 1 6.572 0.007 . . . . . . 59 Y HD1 . 15377 1
637 . 1 1 59 59 TYR HD2 H 1 6.572 0.007 . . . . . . 59 Y HD2 . 15377 1
638 . 1 1 59 59 TYR HE1 H 1 6.544 0.006 . . . . . . 59 Y HE1 . 15377 1
639 . 1 1 59 59 TYR HE2 H 1 6.544 0.006 . . . . . . 59 Y HE2 . 15377 1
640 . 1 1 59 59 TYR C C 13 172.355 0.012 . . . . . . 59 Y CO . 15377 1
641 . 1 1 59 59 TYR CA C 13 55.812 0.088 . . . . . . 59 Y CA . 15377 1
642 . 1 1 59 59 TYR CB C 13 39.386 0.073 . . . . . . 59 Y CB . 15377 1
643 . 1 1 59 59 TYR N N 15 125.111 0.017 . . . . . . 59 Y N . 15377 1
644 . 1 1 60 60 ASP H H 1 8.699 0.010 . . . . . . 60 D NH . 15377 1
645 . 1 1 60 60 ASP HA H 1 4.559 0.004 . . . . . . 60 D HA . 15377 1
646 . 1 1 60 60 ASP HB2 H 1 2.826 0.006 . . . . . . 60 D HB2 . 15377 1
647 . 1 1 60 60 ASP HB3 H 1 2.492 0.006 . . . . . . 60 D HB3 . 15377 1
648 . 1 1 60 60 ASP C C 13 176.858 0.006 . . . . . . 60 D CO . 15377 1
649 . 1 1 60 60 ASP CA C 13 52.679 0.097 . . . . . . 60 D CA . 15377 1
650 . 1 1 60 60 ASP CB C 13 41.166 0.125 . . . . . . 60 D CB . 15377 1
651 . 1 1 60 60 ASP N N 15 121.232 0.020 . . . . . . 60 D N . 15377 1
652 . 1 1 61 61 LYS H H 1 8.457 0.007 . . . . . . 61 K NH . 15377 1
653 . 1 1 61 61 LYS HA H 1 4.031 0.007 . . . . . . 61 K HA . 15377 1
654 . 1 1 61 61 LYS HB2 H 1 1.776 0.013 . . . . . . 61 K HB2 . 15377 1
655 . 1 1 61 61 LYS HB3 H 1 1.737 0.011 . . . . . . 61 K HB3 . 15377 1
656 . 1 1 61 61 LYS HD2 H 1 1.564 0.005 . . . . . . 61 K HD2 . 15377 1
657 . 1 1 61 61 LYS HD3 H 1 1.564 0.005 . . . . . . 61 K HD3 . 15377 1
658 . 1 1 61 61 LYS HE2 H 1 2.821 0.003 . . . . . . 61 K HE2 . 15377 1
659 . 1 1 61 61 LYS HE3 H 1 2.821 0.003 . . . . . . 61 K HE3 . 15377 1
660 . 1 1 61 61 LYS HG2 H 1 1.298 0.006 . . . . . . 61 K HG2 . 15377 1
661 . 1 1 61 61 LYS HG3 H 1 1.298 0.006 . . . . . . 61 K HG3 . 15377 1
662 . 1 1 61 61 LYS C C 13 178.091 0.019 . . . . . . 61 K CO . 15377 1
663 . 1 1 61 61 LYS CA C 13 59.178 0.065 . . . . . . 61 K CA . 15377 1
664 . 1 1 61 61 LYS CB C 13 32.082 0.022 . . . . . . 61 K CB . 15377 1
665 . 1 1 61 61 LYS CD C 13 29.187 0.032 . . . . . . 61 K CD . 15377 1
666 . 1 1 61 61 LYS CE C 13 42.129 0.085 . . . . . . 61 K CE . 15377 1
667 . 1 1 61 61 LYS CG C 13 24.770 0.042 . . . . . . 61 K CG . 15377 1
668 . 1 1 61 61 LYS N N 15 126.541 0.037 . . . . . . 61 K N . 15377 1
669 . 1 1 62 62 ASP H H 1 8.262 0.013 . . . . . . 62 D NH . 15377 1
670 . 1 1 62 62 ASP HA H 1 4.442 0.007 . . . . . . 62 D HA . 15377 1
671 . 1 1 62 62 ASP HB2 H 1 2.655 0.015 . . . . . . 62 D HB2 . 15377 1
672 . 1 1 62 62 ASP HB3 H 1 2.605 0.012 . . . . . . 62 D HB3 . 15377 1
673 . 1 1 62 62 ASP C C 13 177.284 0.015 . . . . . . 62 D CO . 15377 1
674 . 1 1 62 62 ASP CA C 13 56.139 0.112 . . . . . . 62 D CA . 15377 1
675 . 1 1 62 62 ASP CB C 13 40.290 0.072 . . . . . . 62 D CB . 15377 1
676 . 1 1 62 62 ASP N N 15 117.729 0.018 . . . . . . 62 D N . 15377 1
677 . 1 1 63 63 GLN H H 1 7.794 0.008 . . . . . . 63 Q NH . 15377 1
678 . 1 1 63 63 GLN HA H 1 4.009 0.004 . . . . . . 63 Q HA . 15377 1
679 . 1 1 63 63 GLN HB2 H 1 1.919 0.014 . . . . . . 63 Q HB2 . 15377 1
680 . 1 1 63 63 GLN HB3 H 1 1.841 0.012 . . . . . . 63 Q HB3 . 15377 1
681 . 1 1 63 63 GLN HG2 H 1 2.070 0.006 . . . . . . 63 Q HG2 . 15377 1
682 . 1 1 63 63 GLN HG3 H 1 1.951 0.004 . . . . . . 63 Q HG3 . 15377 1
683 . 1 1 63 63 GLN C C 13 175.927 0.007 . . . . . . 63 Q CO . 15377 1
684 . 1 1 63 63 GLN CA C 13 56.800 0.101 . . . . . . 63 Q CA . 15377 1
685 . 1 1 63 63 GLN CB C 13 29.115 0.140 . . . . . . 63 Q CB . 15377 1
686 . 1 1 63 63 GLN CG C 13 33.598 0.065 . . . . . . 63 Q CG . 15377 1
687 . 1 1 63 63 GLN N N 15 117.465 0.015 . . . . . . 63 Q N . 15377 1
688 . 1 1 64 64 PHE H H 1 7.705 0.010 . . . . . . 64 F NH . 15377 1
689 . 1 1 64 64 PHE HA H 1 4.510 0.005 . . . . . . 64 F HA . 15377 1
690 . 1 1 64 64 PHE HB2 H 1 2.968 0.004 . . . . . . 64 F HB2 . 15377 1
691 . 1 1 64 64 PHE HB3 H 1 2.727 0.005 . . . . . . 64 F HB3 . 15377 1
692 . 1 1 64 64 PHE HD1 H 1 7.121 0.006 . . . . . . 64 F HD1 . 15377 1
693 . 1 1 64 64 PHE HD2 H 1 7.121 0.006 . . . . . . 64 F HD2 . 15377 1
694 . 1 1 64 64 PHE HE1 H 1 7.102 0.008 . . . . . . 64 F HE1 . 15377 1
695 . 1 1 64 64 PHE HE2 H 1 7.102 0.008 . . . . . . 64 F HE2 . 15377 1
696 . 1 1 64 64 PHE C C 13 174.735 0.006 . . . . . . 64 F CO . 15377 1
697 . 1 1 64 64 PHE CA C 13 58.398 0.099 . . . . . . 64 F CA . 15377 1
698 . 1 1 64 64 PHE CB C 13 40.290 0.020 . . . . . . 64 F CB . 15377 1
699 . 1 1 64 64 PHE N N 15 118.485 0.027 . . . . . . 64 F N . 15377 1
700 . 1 1 65 65 VAL H H 1 7.768 0.007 . . . . . . 65 V NH . 15377 1
701 . 1 1 65 65 VAL HA H 1 4.195 0.003 . . . . . . 65 V HA . 15377 1
702 . 1 1 65 65 VAL HB H 1 2.027 0.007 . . . . . . 65 V HB . 15377 1
703 . 1 1 65 65 VAL HG11 H 1 0.911 0.007 . . . . . . 65 V HG11 . 15377 1
704 . 1 1 65 65 VAL HG12 H 1 0.911 0.007 . . . . . . 65 V HG12 . 15377 1
705 . 1 1 65 65 VAL HG13 H 1 0.911 0.007 . . . . . . 65 V HG13 . 15377 1
706 . 1 1 65 65 VAL HG21 H 1 0.911 0.007 . . . . . . 65 V HG21 . 15377 1
707 . 1 1 65 65 VAL HG22 H 1 0.911 0.007 . . . . . . 65 V HG22 . 15377 1
708 . 1 1 65 65 VAL HG23 H 1 0.911 0.007 . . . . . . 65 V HG23 . 15377 1
709 . 1 1 65 65 VAL C C 13 175.984 0.004 . . . . . . 65 V CO . 15377 1
710 . 1 1 65 65 VAL CA C 13 62.046 0.146 . . . . . . 65 V CA . 15377 1
711 . 1 1 65 65 VAL CB C 13 33.032 0.069 . . . . . . 65 V CB . 15377 1
712 . 1 1 65 65 VAL CG1 C 13 21.167 0.000 . . . . . . 65 V CG1 . 15377 1
713 . 1 1 65 65 VAL N N 15 119.663 0.011 . . . . . . 65 V N . 15377 1
714 . 1 1 66 66 SER H H 1 8.488 0.006 . . . . . . 66 S NH . 15377 1
715 . 1 1 66 66 SER HA H 1 4.338 0.005 . . . . . . 66 S HA . 15377 1
716 . 1 1 66 66 SER HB2 H 1 3.837 0.010 . . . . . . 66 S HB2 . 15377 1
717 . 1 1 66 66 SER HB3 H 1 3.805 0.008 . . . . . . 66 S HB3 . 15377 1
718 . 1 1 66 66 SER C C 13 175.329 0.010 . . . . . . 66 S CO . 15377 1
719 . 1 1 66 66 SER CA C 13 58.632 0.076 . . . . . . 66 S CA . 15377 1
720 . 1 1 66 66 SER CB C 13 63.912 0.180 . . . . . . 66 S CB . 15377 1
721 . 1 1 66 66 SER N N 15 119.961 0.042 . . . . . . 66 S N . 15377 1
722 . 1 1 67 67 GLY H H 1 8.444 0.010 . . . . . . 67 G NH . 15377 1
723 . 1 1 67 67 GLY HA2 H 1 3.925 0.004 . . . . . . 67 G HA2 . 15377 1
724 . 1 1 67 67 GLY HA3 H 1 3.812 0.007 . . . . . . 67 G HA3 . 15377 1
725 . 1 1 67 67 GLY C C 13 173.990 0.009 . . . . . . 67 G CO . 15377 1
726 . 1 1 67 67 GLY CA C 13 45.330 0.083 . . . . . . 67 G CA . 15377 1
727 . 1 1 67 67 GLY N N 15 111.747 0.015 . . . . . . 67 G N . 15377 1
728 . 1 1 68 68 GLU H H 1 8.211 0.009 . . . . . . 68 E NH . 15377 1
729 . 1 1 68 68 GLU HA H 1 4.300 0.004 . . . . . . 68 E HA . 15377 1
730 . 1 1 68 68 GLU HB2 H 1 1.995 0.006 . . . . . . 68 E HB2 . 15377 1
731 . 1 1 68 68 GLU HB3 H 1 1.842 0.007 . . . . . . 68 E HB3 . 15377 1
732 . 1 1 68 68 GLU HG2 H 1 2.183 0.008 . . . . . . 68 E HG2 . 15377 1
733 . 1 1 68 68 GLU HG3 H 1 2.141 0.009 . . . . . . 68 E HG3 . 15377 1
734 . 1 1 68 68 GLU C C 13 176.581 0.009 . . . . . . 68 E CO . 15377 1
735 . 1 1 68 68 GLU CA C 13 56.380 0.076 . . . . . . 68 E CA . 15377 1
736 . 1 1 68 68 GLU CB C 13 30.547 0.103 . . . . . . 68 E CB . 15377 1
737 . 1 1 68 68 GLU CG C 13 36.110 0.024 . . . . . . 68 E CG . 15377 1
738 . 1 1 68 68 GLU N N 15 120.285 0.033 . . . . . . 68 E N . 15377 1
739 . 1 1 69 69 THR H H 1 8.231 0.009 . . . . . . 69 T NH . 15377 1
740 . 1 1 69 69 THR HA H 1 4.256 0.005 . . . . . . 69 T HA . 15377 1
741 . 1 1 69 69 THR HB H 1 4.059 0.006 . . . . . . 69 T HB . 15377 1
742 . 1 1 69 69 THR HG21 H 1 1.106 0.006 . . . . . . 69 T HG21 . 15377 1
743 . 1 1 69 69 THR HG22 H 1 1.106 0.006 . . . . . . 69 T HG22 . 15377 1
744 . 1 1 69 69 THR HG23 H 1 1.106 0.006 . . . . . . 69 T HG23 . 15377 1
745 . 1 1 69 69 THR C C 13 174.182 0.025 . . . . . . 69 T CO . 15377 1
746 . 1 1 69 69 THR CA C 13 62.031 0.050 . . . . . . 69 T CA . 15377 1
747 . 1 1 69 69 THR CB C 13 69.673 0.098 . . . . . . 69 T CB . 15377 1
748 . 1 1 69 69 THR CG2 C 13 21.736 0.016 . . . . . . 69 T CG2 . 15377 1
749 . 1 1 69 69 THR N N 15 116.283 0.033 . . . . . . 69 T N . 15377 1
750 . 1 1 70 70 VAL H H 1 8.219 0.006 . . . . . . 70 V NH . 15377 1
751 . 1 1 70 70 VAL HA H 1 4.362 0.004 . . . . . . 70 V HA . 15377 1
752 . 1 1 70 70 VAL HB H 1 2.008 0.005 . . . . . . 70 V HB . 15377 1
753 . 1 1 70 70 VAL HG11 H 1 0.885 0.008 . . . . . . 70 V HG11 . 15377 1
754 . 1 1 70 70 VAL HG12 H 1 0.885 0.008 . . . . . . 70 V HG12 . 15377 1
755 . 1 1 70 70 VAL HG13 H 1 0.885 0.008 . . . . . . 70 V HG13 . 15377 1
756 . 1 1 70 70 VAL HG21 H 1 0.885 0.008 . . . . . . 70 V HG21 . 15377 1
757 . 1 1 70 70 VAL HG22 H 1 0.885 0.008 . . . . . . 70 V HG22 . 15377 1
758 . 1 1 70 70 VAL HG23 H 1 0.885 0.008 . . . . . . 70 V HG23 . 15377 1
759 . 1 1 70 70 VAL CA C 13 59.768 0.000 . . . . . . 70 V CA . 15377 1
760 . 1 1 70 70 VAL CB C 13 32.481 0.000 . . . . . . 70 V CB . 15377 1
761 . 1 1 70 70 VAL N N 15 124.750 0.015 . . . . . . 70 V N . 15377 1
762 . 1 1 71 71 PRO HA H 1 4.319 0.004 . . . . . . 71 P HA . 15377 1
763 . 1 1 71 71 PRO HB2 H 1 2.192 0.005 . . . . . . 71 P HB2 . 15377 1
764 . 1 1 71 71 PRO HB3 H 1 1.802 0.007 . . . . . . 71 P HB3 . 15377 1
765 . 1 1 71 71 PRO HD2 H 1 3.797 0.004 . . . . . . 71 P HD2 . 15377 1
766 . 1 1 71 71 PRO HD3 H 1 3.595 0.004 . . . . . . 71 P HD3 . 15377 1
767 . 1 1 71 71 PRO HG2 H 1 1.922 0.004 . . . . . . 71 P HG2 . 15377 1
768 . 1 1 71 71 PRO HG3 H 1 1.922 0.004 . . . . . . 71 P HG3 . 15377 1
769 . 1 1 71 71 PRO C C 13 176.093 0.000 . . . . . . 71 P CO . 15377 1
770 . 1 1 71 71 PRO CA C 13 63.008 0.142 . . . . . . 71 P CA . 15377 1
771 . 1 1 71 71 PRO CB C 13 32.095 0.017 . . . . . . 71 P CB . 15377 1
772 . 1 1 71 71 PRO CD C 13 51.252 0.000 . . . . . . 71 P CD . 15377 1
773 . 1 1 71 71 PRO CG C 13 27.318 0.000 . . . . . . 71 P CG . 15377 1
774 . 1 1 72 72 ALA H H 1 8.368 0.009 . . . . . . 72 A NH . 15377 1
775 . 1 1 72 72 ALA HA H 1 4.520 0.004 . . . . . . 72 A HA . 15377 1
776 . 1 1 72 72 ALA HB1 H 1 1.310 0.005 . . . . . . 72 A HB1 . 15377 1
777 . 1 1 72 72 ALA HB2 H 1 1.310 0.005 . . . . . . 72 A HB2 . 15377 1
778 . 1 1 72 72 ALA HB3 H 1 1.310 0.005 . . . . . . 72 A HB3 . 15377 1
779 . 1 1 72 72 ALA C C 13 175.767 0.000 . . . . . . 72 A CO . 15377 1
780 . 1 1 72 72 ALA CA C 13 50.466 0.000 . . . . . . 72 A CA . 15377 1
781 . 1 1 72 72 ALA CB C 13 18.303 0.000 . . . . . . 72 A CB . 15377 1
782 . 1 1 72 72 ALA N N 15 125.655 0.032 . . . . . . 72 A N . 15377 1
783 . 1 1 73 73 PRO HA H 1 4.375 0.004 . . . . . . 73 P HA . 15377 1
784 . 1 1 73 73 PRO HB2 H 1 2.259 0.005 . . . . . . 73 P HB2 . 15377 1
785 . 1 1 73 73 PRO HB3 H 1 1.873 0.006 . . . . . . 73 P HB3 . 15377 1
786 . 1 1 73 73 PRO HD2 H 1 3.777 0.005 . . . . . . 73 P HD2 . 15377 1
787 . 1 1 73 73 PRO HD3 H 1 3.604 0.004 . . . . . . 73 P HD3 . 15377 1
788 . 1 1 73 73 PRO HG2 H 1 1.973 0.006 . . . . . . 73 P HG2 . 15377 1
789 . 1 1 73 73 PRO HG3 H 1 1.973 0.006 . . . . . . 73 P HG3 . 15377 1
790 . 1 1 73 73 PRO C C 13 177.069 0.014 . . . . . . 73 P CO . 15377 1
791 . 1 1 73 73 PRO CA C 13 63.665 0.189 . . . . . . 73 P CA . 15377 1
792 . 1 1 73 73 PRO CB C 13 32.107 0.167 . . . . . . 73 P CB . 15377 1
793 . 1 1 73 73 PRO CD C 13 50.828 0.000 . . . . . . 73 P CD . 15377 1
794 . 1 1 73 73 PRO CG C 13 27.677 0.000 . . . . . . 73 P CG . 15377 1
795 . 1 1 74 74 SER H H 1 8.325 0.007 . . . . . . 74 S NH . 15377 1
796 . 1 1 74 74 SER HA H 1 4.341 0.004 . . . . . . 74 S HA . 15377 1
797 . 1 1 74 74 SER HB2 H 1 3.834 0.008 . . . . . . 74 S HB2 . 15377 1
798 . 1 1 74 74 SER HB3 H 1 3.834 0.008 . . . . . . 74 S HB3 . 15377 1
799 . 1 1 74 74 SER C C 13 174.467 0.011 . . . . . . 74 S CO . 15377 1
800 . 1 1 74 74 SER CA C 13 58.296 0.088 . . . . . . 74 S CA . 15377 1
801 . 1 1 74 74 SER CB C 13 63.891 0.083 . . . . . . 74 S CB . 15377 1
802 . 1 1 74 74 SER N N 15 115.533 0.014 . . . . . . 74 S N . 15377 1
803 . 1 1 75 75 ALA H H 1 8.325 0.007 . . . . . . 75 A NH . 15377 1
804 . 1 1 75 75 ALA HA H 1 4.265 0.004 . . . . . . 75 A HA . 15377 1
805 . 1 1 75 75 ALA HB1 H 1 1.345 0.004 . . . . . . 75 A HB1 . 15377 1
806 . 1 1 75 75 ALA HB2 H 1 1.345 0.004 . . . . . . 75 A HB2 . 15377 1
807 . 1 1 75 75 ALA HB3 H 1 1.345 0.004 . . . . . . 75 A HB3 . 15377 1
808 . 1 1 75 75 ALA C C 13 177.441 0.003 . . . . . . 75 A CO . 15377 1
809 . 1 1 75 75 ALA CA C 13 52.690 0.019 . . . . . . 75 A CA . 15377 1
810 . 1 1 75 75 ALA CB C 13 19.417 0.058 . . . . . . 75 A CB . 15377 1
811 . 1 1 75 75 ALA N N 15 125.877 0.028 . . . . . . 75 A N . 15377 1
812 . 1 1 76 76 ASN H H 1 8.310 0.009 . . . . . . 76 N NH . 15377 1
813 . 1 1 76 76 ASN HA H 1 4.599 0.004 . . . . . . 76 N HA . 15377 1
814 . 1 1 76 76 ASN HB2 H 1 2.795 0.006 . . . . . . 76 N HB2 . 15377 1
815 . 1 1 76 76 ASN HB3 H 1 2.716 0.007 . . . . . . 76 N HB3 . 15377 1
816 . 1 1 76 76 ASN C C 13 175.428 0.011 . . . . . . 76 N CO . 15377 1
817 . 1 1 76 76 ASN CA C 13 53.371 0.124 . . . . . . 76 N CA . 15377 1
818 . 1 1 76 76 ASN CB C 13 38.602 0.017 . . . . . . 76 N CB . 15377 1
819 . 1 1 76 76 ASN N N 15 117.646 0.025 . . . . . . 76 N N . 15377 1
820 . 1 1 77 77 LYS H H 1 8.279 0.007 . . . . . . 77 K NH . 15377 1
821 . 1 1 77 77 LYS HA H 1 4.199 0.006 . . . . . . 77 K HA . 15377 1
822 . 1 1 77 77 LYS HB2 H 1 1.796 0.010 . . . . . . 77 K HB2 . 15377 1
823 . 1 1 77 77 LYS HB3 H 1 1.740 0.009 . . . . . . 77 K HB3 . 15377 1
824 . 1 1 77 77 LYS HD2 H 1 1.622 0.006 . . . . . . 77 K HD2 . 15377 1
825 . 1 1 77 77 LYS HD3 H 1 1.622 0.006 . . . . . . 77 K HD3 . 15377 1
826 . 1 1 77 77 LYS HE2 H 1 2.937 0.008 . . . . . . 77 K HE2 . 15377 1
827 . 1 1 77 77 LYS HE3 H 1 2.937 0.008 . . . . . . 77 K HE3 . 15377 1
828 . 1 1 77 77 LYS HG2 H 1 1.378 0.006 . . . . . . 77 K HG2 . 15377 1
829 . 1 1 77 77 LYS HG3 H 1 1.378 0.006 . . . . . . 77 K HG3 . 15377 1
830 . 1 1 77 77 LYS C C 13 176.621 0.004 . . . . . . 77 K CO . 15377 1
831 . 1 1 77 77 LYS CA C 13 56.899 0.070 . . . . . . 77 K CA . 15377 1
832 . 1 1 77 77 LYS CB C 13 32.784 0.022 . . . . . . 77 K CB . 15377 1
833 . 1 1 77 77 LYS CD C 13 28.949 0.000 . . . . . . 77 K CD . 15377 1
834 . 1 1 77 77 LYS CE C 13 42.204 0.000 . . . . . . 77 K CE . 15377 1
835 . 1 1 77 77 LYS CG C 13 24.830 0.000 . . . . . . 77 K CG . 15377 1
836 . 1 1 77 77 LYS N N 15 122.069 0.018 . . . . . . 77 K N . 15377 1
837 . 1 1 78 78 GLU H H 1 8.332 0.006 . . . . . . 78 E NH . 15377 1
838 . 1 1 78 78 GLU HA H 1 4.183 0.004 . . . . . . 78 E HA . 15377 1
839 . 1 1 78 78 GLU HB2 H 1 1.979 0.009 . . . . . . 78 E HB2 . 15377 1
840 . 1 1 78 78 GLU HB3 H 1 1.896 0.009 . . . . . . 78 E HB3 . 15377 1
841 . 1 1 78 78 GLU HG2 H 1 2.212 0.006 . . . . . . 78 E HG2 . 15377 1
842 . 1 1 78 78 GLU HG3 H 1 2.190 0.007 . . . . . . 78 E HG3 . 15377 1
843 . 1 1 78 78 GLU C C 13 176.498 0.017 . . . . . . 78 E CO . 15377 1
844 . 1 1 78 78 GLU CA C 13 56.834 0.045 . . . . . . 78 E CA . 15377 1
845 . 1 1 78 78 GLU CB C 13 29.901 0.023 . . . . . . 78 E CB . 15377 1
846 . 1 1 78 78 GLU CG C 13 36.183 0.037 . . . . . . 78 E CG . 15377 1
847 . 1 1 78 78 GLU N N 15 120.980 0.090 . . . . . . 78 E N . 15377 1
848 . 1 1 79 79 LEU H H 1 8.078 0.010 . . . . . . 79 L NH . 15377 1
849 . 1 1 79 79 LEU HA H 1 4.253 0.003 . . . . . . 79 L HA . 15377 1
850 . 1 1 79 79 LEU HB2 H 1 1.592 0.009 . . . . . . 79 L HB2 . 15377 1
851 . 1 1 79 79 LEU HB3 H 1 1.535 0.004 . . . . . . 79 L HB3 . 15377 1
852 . 1 1 79 79 LEU HD11 H 1 0.859 0.007 . . . . . . 79 L HD11 . 15377 1
853 . 1 1 79 79 LEU HD12 H 1 0.859 0.007 . . . . . . 79 L HD12 . 15377 1
854 . 1 1 79 79 LEU HD13 H 1 0.859 0.007 . . . . . . 79 L HD13 . 15377 1
855 . 1 1 79 79 LEU HD21 H 1 0.827 0.012 . . . . . . 79 L HD21 . 15377 1
856 . 1 1 79 79 LEU HD22 H 1 0.827 0.012 . . . . . . 79 L HD22 . 15377 1
857 . 1 1 79 79 LEU HD23 H 1 0.827 0.012 . . . . . . 79 L HD23 . 15377 1
858 . 1 1 79 79 LEU HG H 1 1.547 0.005 . . . . . . 79 L HG . 15377 1
859 . 1 1 79 79 LEU C C 13 177.332 0.010 . . . . . . 79 L CO . 15377 1
860 . 1 1 79 79 LEU CA C 13 55.575 0.085 . . . . . . 79 L CA . 15377 1
861 . 1 1 79 79 LEU CB C 13 42.170 0.056 . . . . . . 79 L CB . 15377 1
862 . 1 1 79 79 LEU CD1 C 13 24.742 0.092 . . . . . . 79 L CD1 . 15377 1
863 . 1 1 79 79 LEU CD2 C 13 23.660 0.000 . . . . . . 79 L CD2 . 15377 1
864 . 1 1 79 79 LEU CG C 13 26.917 0.065 . . . . . . 79 L CG . 15377 1
865 . 1 1 79 79 LEU N N 15 122.740 0.023 . . . . . . 79 L N . 15377 1
866 . 1 1 80 80 VAL H H 1 7.971 0.010 . . . . . . 80 V NH . 15377 1
867 . 1 1 80 80 VAL HA H 1 3.978 0.003 . . . . . . 80 V HA . 15377 1
868 . 1 1 80 80 VAL HB H 1 1.977 0.007 . . . . . . 80 V HB . 15377 1
869 . 1 1 80 80 VAL HG11 H 1 0.863 0.007 . . . . . . 80 V HG11 . 15377 1
870 . 1 1 80 80 VAL HG12 H 1 0.863 0.007 . . . . . . 80 V HG12 . 15377 1
871 . 1 1 80 80 VAL HG13 H 1 0.863 0.007 . . . . . . 80 V HG13 . 15377 1
872 . 1 1 80 80 VAL HG21 H 1 0.836 0.004 . . . . . . 80 V HG21 . 15377 1
873 . 1 1 80 80 VAL HG22 H 1 0.836 0.004 . . . . . . 80 V HG22 . 15377 1
874 . 1 1 80 80 VAL HG23 H 1 0.836 0.004 . . . . . . 80 V HG23 . 15377 1
875 . 1 1 80 80 VAL C C 13 175.889 0.005 . . . . . . 80 V CO . 15377 1
876 . 1 1 80 80 VAL CA C 13 62.596 0.073 . . . . . . 80 V CA . 15377 1
877 . 1 1 80 80 VAL CB C 13 32.500 0.006 . . . . . . 80 V CB . 15377 1
878 . 1 1 80 80 VAL CG1 C 13 20.835 0.000 . . . . . . 80 V CG1 . 15377 1
879 . 1 1 80 80 VAL N N 15 121.298 0.016 . . . . . . 80 V N . 15377 1
880 . 1 1 81 81 LYS H H 1 8.272 0.007 . . . . . . 81 K NH . 15377 1
881 . 1 1 81 81 LYS HA H 1 4.238 0.007 . . . . . . 81 K HA . 15377 1
882 . 1 1 81 81 LYS HB2 H 1 1.730 0.008 . . . . . . 81 K HB2 . 15377 1
883 . 1 1 81 81 LYS HB3 H 1 1.730 0.008 . . . . . . 81 K HB3 . 15377 1
884 . 1 1 81 81 LYS HD2 H 1 1.613 0.003 . . . . . . 81 K HD2 . 15377 1
885 . 1 1 81 81 LYS HD3 H 1 1.613 0.003 . . . . . . 81 K HD3 . 15377 1
886 . 1 1 81 81 LYS HE2 H 1 2.908 0.006 . . . . . . 81 K HE2 . 15377 1
887 . 1 1 81 81 LYS HE3 H 1 2.908 0.006 . . . . . . 81 K HE3 . 15377 1
888 . 1 1 81 81 LYS HG2 H 1 1.343 0.009 . . . . . . 81 K HG2 . 15377 1
889 . 1 1 81 81 LYS HG3 H 1 1.343 0.009 . . . . . . 81 K HG3 . 15377 1
890 . 1 1 81 81 LYS C C 13 176.233 0.012 . . . . . . 81 K CO . 15377 1
891 . 1 1 81 81 LYS CA C 13 56.266 0.061 . . . . . . 81 K CA . 15377 1
892 . 1 1 81 81 LYS CB C 13 32.864 0.008 . . . . . . 81 K CB . 15377 1
893 . 1 1 81 81 LYS CD C 13 29.130 0.102 . . . . . . 81 K CD . 15377 1
894 . 1 1 81 81 LYS CE C 13 42.151 0.000 . . . . . . 81 K CE . 15377 1
895 . 1 1 81 81 LYS CG C 13 24.772 0.000 . . . . . . 81 K CG . 15377 1
896 . 1 1 81 81 LYS N N 15 125.292 0.022 . . . . . . 81 K N . 15377 1
897 . 1 1 82 82 LEU H H 1 8.227 0.008 . . . . . . 82 L NH . 15377 1
898 . 1 1 82 82 LEU HA H 1 4.242 0.007 . . . . . . 82 L HA . 15377 1
899 . 1 1 82 82 LEU HB2 H 1 1.527 0.008 . . . . . . 82 L HB2 . 15377 1
900 . 1 1 82 82 LEU HB3 H 1 1.421 0.007 . . . . . . 82 L HB3 . 15377 1
901 . 1 1 82 82 LEU HD11 H 1 0.798 0.007 . . . . . . 82 L HD11 . 15377 1
902 . 1 1 82 82 LEU HD12 H 1 0.798 0.007 . . . . . . 82 L HD12 . 15377 1
903 . 1 1 82 82 LEU HD13 H 1 0.798 0.007 . . . . . . 82 L HD13 . 15377 1
904 . 1 1 82 82 LEU HD21 H 1 0.759 0.008 . . . . . . 82 L HD21 . 15377 1
905 . 1 1 82 82 LEU HD22 H 1 0.759 0.008 . . . . . . 82 L HD22 . 15377 1
906 . 1 1 82 82 LEU HD23 H 1 0.759 0.008 . . . . . . 82 L HD23 . 15377 1
907 . 1 1 82 82 LEU HG H 1 1.530 0.005 . . . . . . 82 L HG . 15377 1
908 . 1 1 82 82 LEU C C 13 177.162 0.011 . . . . . . 82 L CO . 15377 1
909 . 1 1 82 82 LEU CA C 13 55.235 0.051 . . . . . . 82 L CA . 15377 1
910 . 1 1 82 82 LEU CB C 13 42.339 0.023 . . . . . . 82 L CB . 15377 1
911 . 1 1 82 82 LEU CD1 C 13 23.377 0.103 . . . . . . 82 L CD . 15377 1
912 . 1 1 82 82 LEU CD2 C 13 23.377 0.103 . . . . . . 82 L CD . 15377 1
913 . 1 1 82 82 LEU CG C 13 26.849 0.044 . . . . . . 82 L CG . 15377 1
914 . 1 1 82 82 LEU N N 15 124.091 0.021 . . . . . . 82 L N . 15377 1
915 . 1 1 83 83 GLU H H 1 8.336 0.008 . . . . . . 83 E NH . 15377 1
916 . 1 1 83 83 GLU HA H 1 4.150 0.004 . . . . . . 83 E HA . 15377 1
917 . 1 1 83 83 GLU HB2 H 1 1.830 0.008 . . . . . . 83 E HB2 . 15377 1
918 . 1 1 83 83 GLU HB3 H 1 1.830 0.008 . . . . . . 83 E HB3 . 15377 1
919 . 1 1 83 83 GLU HG2 H 1 2.139 0.007 . . . . . . 83 E HG2 . 15377 1
920 . 1 1 83 83 GLU HG3 H 1 2.072 0.008 . . . . . . 83 E HG3 . 15377 1
921 . 1 1 83 83 GLU C C 13 176.061 0.009 . . . . . . 83 E CO . 15377 1
922 . 1 1 83 83 GLU CA C 13 56.469 0.096 . . . . . . 83 E CA . 15377 1
923 . 1 1 83 83 GLU CB C 13 30.377 0.021 . . . . . . 83 E CB . 15377 1
924 . 1 1 83 83 GLU CG C 13 36.061 0.021 . . . . . . 83 E CG . 15377 1
925 . 1 1 83 83 GLU N N 15 121.534 0.043 . . . . . . 83 E N . 15377 1
926 . 1 1 84 84 HIS H H 1 8.286 0.011 . . . . . . 84 H NH . 15377 1
927 . 1 1 84 84 HIS C C 13 174.836 0.000 . . . . . . 84 H CO . 15377 1
928 . 1 1 84 84 HIS N N 15 119.932 0.018 . . . . . . 84 H N . 15377 1
stop_
save_