Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50027
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 50027 1
3 '3D HNCA' . . . 50027 1
4 '3D HN(CO)CA' . . . 50027 1
5 '3D HNCACB' . . . 50027 1
6 '3D CBCA(CO)NH' . . . 50027 1
7 '3D HNCO' . . . 50027 1
8 '3D HN(CA)CO' . . . 50027 1
9 '3D HCCH-TOCSY' . . . 50027 1
13 '2D 1H-1H NOESY' . . . 50027 1
14 '2D 1H-1H TOCSY' . . . 50027 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 TRP HD1 H 1 7.391 0.005 . 1 . . 348 . . 1 TRP HD1 . 50027 1
2 . 1 . 1 1 1 TRP HE1 H 1 10.238 0.001 . 1 . . 347 . . 1 TRP HE1 . 50027 1
3 . 1 . 1 1 1 TRP HE3 H 1 7.503 0.002 . 1 . . 350 . . 1 TRP HE3 . 50027 1
4 . 1 . 1 1 1 TRP HZ2 H 1 7.236 0.008 . 1 . . 351 . . 1 TRP HZ2 . 50027 1
5 . 1 . 1 1 1 TRP HZ3 H 1 7.153 0.001 . 1 . . 359 . . 1 TRP HZ3 . 50027 1
6 . 1 . 1 1 1 TRP HH2 H 1 7.571 0.001 . 1 . . 360 . . 1 TRP HH2 . 50027 1
7 . 1 . 1 1 1 TRP C C 13 171.440 . . 1 . . 200 . . 1 TRP C . 50027 1
8 . 1 . 1 1 1 TRP CA C 13 55.884 . . 1 . . 199 . . 1 TRP CA . 50027 1
9 . 1 . 1 1 1 TRP CB C 13 29.750 . . 1 . . 198 . . 1 TRP CB . 50027 1
10 . 1 . 1 1 1 TRP NE1 N 15 131.719 . . 1 . . 349 . . 1 TRP NE1 . 50027 1
11 . 1 . 1 2 2 GLY H H 1 8.889 0.004 . 1 . . 77 . . 2 GLY H . 50027 1
12 . 1 . 1 2 2 GLY HA2 H 1 4.800 . . 2 . . 331 . . 2 GLY HA2 . 50027 1
13 . 1 . 1 2 2 GLY HA3 H 1 4.021 0.005 . 2 . . 332 . . 2 GLY HA3 . 50027 1
14 . 1 . 1 2 2 GLY C C 13 173.422 0.001 . 1 . . 197 . . 2 GLY C . 50027 1
15 . 1 . 1 2 2 GLY CA C 13 44.226 0.062 . 1 . . 196 . . 2 GLY CA . 50027 1
16 . 1 . 1 2 2 GLY N N 15 106.453 0.0 . 1 . . 78 . . 2 GLY N . 50027 1
17 . 1 . 1 3 3 CYS H H 1 8.718 0.004 . 1 . . 69 . . 3 CYS H . 50027 1
18 . 1 . 1 3 3 CYS HA H 1 5.576 0.007 . 1 . . 203 . . 3 CYS HA . 50027 1
19 . 1 . 1 3 3 CYS HB2 H 1 3.218 0.012 . 2 . . 245 . . 3 CYS HB2 . 50027 1
20 . 1 . 1 3 3 CYS HB3 H 1 2.766 0.008 . 2 . . 246 . . 3 CYS HB3 . 50027 1
21 . 1 . 1 3 3 CYS C C 13 172.472 0.031 . 1 . . 195 . . 3 CYS C . 50027 1
22 . 1 . 1 3 3 CYS CA C 13 53.051 0.004 . 1 . . 193 . . 3 CYS CA . 50027 1
23 . 1 . 1 3 3 CYS CB C 13 35.879 0.026 . 1 . . 192 . . 3 CYS CB . 50027 1
24 . 1 . 1 3 3 CYS N N 15 121.846 0.003 . 1 . . 70 . . 3 CYS N . 50027 1
25 . 1 . 1 4 4 VAL H H 1 8.505 0.003 . 1 . . 75 . . 4 VAL H . 50027 1
26 . 1 . 1 4 4 VAL HA H 1 4.307 0.008 . 1 . . 202 . . 4 VAL HA . 50027 1
27 . 1 . 1 4 4 VAL HB H 1 1.975 0.012 . 1 . . 235 . . 4 VAL HB . 50027 1
28 . 1 . 1 4 4 VAL HG11 H 1 0.811 0.01 . 1 . . 236 . . 4 VAL HG11 . 50027 1
29 . 1 . 1 4 4 VAL HG12 H 1 0.811 0.01 . 1 . . 236 . . 4 VAL HG12 . 50027 1
30 . 1 . 1 4 4 VAL HG13 H 1 0.811 0.01 . 1 . . 236 . . 4 VAL HG13 . 50027 1
31 . 1 . 1 4 4 VAL C C 13 175.113 0.02 . 1 . . 194 . . 4 VAL C . 50027 1
32 . 1 . 1 4 4 VAL CA C 13 61.759 0.052 . 1 . . 190 . . 4 VAL CA . 50027 1
33 . 1 . 1 4 4 VAL CB C 13 33.272 0.021 . 1 . . 191 . . 4 VAL CB . 50027 1
34 . 1 . 1 4 4 VAL CG1 C 13 20.820 0.001 . 1 . . 295 . . 4 VAL CG1 . 50027 1
35 . 1 . 1 4 4 VAL N N 15 128.216 0.003 . 1 . . 76 . . 4 VAL N . 50027 1
36 . 1 . 1 5 5 CYS H H 1 8.797 0.008 . 1 . . 188 . . 5 CYS H . 50027 1
37 . 1 . 1 5 5 CYS HA H 1 5.643 0.016 . 1 . . 204 . . 5 CYS HA . 50027 1
38 . 1 . 1 5 5 CYS HB2 H 1 3.139 0.013 . 2 . . 270 . . 5 CYS HB2 . 50027 1
39 . 1 . 1 5 5 CYS HB3 H 1 2.505 0.013 . 2 . . 271 . . 5 CYS HB3 . 50027 1
40 . 1 . 1 5 5 CYS C C 13 175.810 0.007 . 1 . . 187 . . 5 CYS C . 50027 1
41 . 1 . 1 5 5 CYS CA C 13 52.632 0.035 . 1 . . 125 . . 5 CYS CA . 50027 1
42 . 1 . 1 5 5 CYS CB C 13 35.660 0.013 . 1 . . 124 . . 5 CYS CB . 50027 1
43 . 1 . 1 5 5 CYS N N 15 123.859 0.031 . 1 . . 189 . . 5 CYS N . 50027 1
44 . 1 . 1 6 6 SER H H 1 8.000 0.002 . 1 . . 7 . . 6 SER H . 50027 1
45 . 1 . 1 6 6 SER HA H 1 4.402 0.009 . 1 . . 222 . . 6 SER HA . 50027 1
46 . 1 . 1 6 6 SER HB2 H 1 3.762 0.003 . 2 . . 282 . . 6 SER HB2 . 50027 1
47 . 1 . 1 6 6 SER HB3 H 1 3.137 0.006 . 2 . . 283 . . 6 SER HB3 . 50027 1
48 . 1 . 1 6 6 SER CA C 13 59.698 0.013 . 1 . . 122 . . 6 SER CA . 50027 1
49 . 1 . 1 6 6 SER CB C 13 63.260 0.031 . 1 . . 123 . . 6 SER CB . 50027 1
50 . 1 . 1 6 6 SER N N 15 121.242 0.007 . 1 . . 8 . . 6 SER N . 50027 1
51 . 1 . 1 7 7 GLY H H 1 8.402 0.003 . 1 . . 13 . . 7 GLY H . 50027 1
52 . 1 . 1 7 7 GLY HA2 H 1 4.356 0.008 . 2 . . 213 . . 7 GLY HA2 . 50027 1
53 . 1 . 1 7 7 GLY HA3 H 1 3.654 0.008 . 2 . . 273 . . 7 GLY HA3 . 50027 1
54 . 1 . 1 7 7 GLY C C 13 173.414 . . 1 . . 186 . . 7 GLY C . 50027 1
55 . 1 . 1 7 7 GLY CA C 13 45.172 0.038 . 1 . . 121 . . 7 GLY CA . 50027 1
56 . 1 . 1 7 7 GLY N N 15 112.830 0.013 . 1 . . 14 . . 7 GLY N . 50027 1
57 . 1 . 1 8 8 SER H H 1 7.918 0.003 . 1 . . 23 . . 8 SER H . 50027 1
58 . 1 . 1 8 8 SER HA H 1 4.595 0.012 . 1 . . 219 . . 8 SER HA . 50027 1
59 . 1 . 1 8 8 SER HB2 H 1 4.335 0.017 . 2 . . 287 . . 8 SER HB2 . 50027 1
60 . 1 . 1 8 8 SER HB3 H 1 4.036 0.008 . 2 . . 288 . . 8 SER HB3 . 50027 1
61 . 1 . 1 8 8 SER C C 13 175.005 0.033 . 1 . . 185 . . 8 SER C . 50027 1
62 . 1 . 1 8 8 SER CA C 13 57.640 0.044 . 1 . . 183 . . 8 SER CA . 50027 1
63 . 1 . 1 8 8 SER CB C 13 65.698 0.05 . 1 . . 184 . . 8 SER CB . 50027 1
64 . 1 . 1 8 8 SER N N 15 116.380 0.079 . 1 . . 24 . . 8 SER N . 50027 1
65 . 1 . 1 9 9 THR H H 1 8.886 0.009 . 1 . . 228 . . 9 THR H . 50027 1
66 . 1 . 1 9 9 THR HA H 1 4.554 0.002 . 1 . . 260 . . 9 THR HA . 50027 1
67 . 1 . 1 9 9 THR HB H 1 3.651 0.001 . 1 . . 333 . . 9 THR HB . 50027 1
68 . 1 . 1 9 9 THR HG21 H 1 1.322 0.023 . 1 . . 258 . . 9 THR HG1 . 50027 1
69 . 1 . 1 9 9 THR HG22 H 1 1.322 0.023 . 1 . . 258 . . 9 THR HG1 . 50027 1
70 . 1 . 1 9 9 THR HG23 H 1 1.322 0.023 . 1 . . 258 . . 9 THR HG1 . 50027 1
71 . 1 . 1 9 9 THR C C 13 175.766 . . 1 . . 120 . . 9 THR C . 50027 1
72 . 1 . 1 9 9 THR CA C 13 65.528 . . 1 . . 118 . . 9 THR CA . 50027 1
73 . 1 . 1 9 9 THR CB C 13 68.710 0.008 . 1 . . 119 . . 9 THR CB . 50027 1
74 . 1 . 1 9 9 THR CG2 C 13 22.364 . . 1 . . 294 . . 9 THR CG2 . 50027 1
75 . 1 . 1 9 9 THR N N 15 117.944 0.0 . 1 . . 229 . . 9 THR N . 50027 1
76 . 1 . 1 10 10 ALA H H 1 8.134 0.006 . 1 . . 45 . . 10 ALA H . 50027 1
77 . 1 . 1 10 10 ALA HA H 1 4.066 0.008 . 1 . . 278 . . 10 ALA HA . 50027 1
78 . 1 . 1 10 10 ALA HB1 H 1 1.361 0.017 . 1 . . 279 . . 10 ALA HB1 . 50027 1
79 . 1 . 1 10 10 ALA HB2 H 1 1.361 0.017 . 1 . . 279 . . 10 ALA HB2 . 50027 1
80 . 1 . 1 10 10 ALA HB3 H 1 1.361 0.017 . 1 . . 279 . . 10 ALA HB3 . 50027 1
81 . 1 . 1 10 10 ALA C C 13 181.214 0.042 . 1 . . 117 . . 10 ALA C . 50027 1
82 . 1 . 1 10 10 ALA CA C 13 55.332 0.013 . 1 . . 114 . . 10 ALA CA . 50027 1
83 . 1 . 1 10 10 ALA CB C 13 17.942 0.029 . 1 . . 112 . . 10 ALA CB . 50027 1
84 . 1 . 1 10 10 ALA N N 15 124.172 0.007 . 1 . . 46 . . 10 ALA N . 50027 1
85 . 1 . 1 11 11 VAL H H 1 7.582 0.003 . 1 . . 5 . . 11 VAL H . 50027 1
86 . 1 . 1 11 11 VAL HA H 1 3.555 0.017 . 1 . . 226 . . 11 VAL HA . 50027 1
87 . 1 . 1 11 11 VAL HB H 1 2.318 0.023 . 1 . . 247 . . 11 VAL HB . 50027 1
88 . 1 . 1 11 11 VAL HG11 H 1 1.043 0.013 . 2 . . 248 . . 11 VAL HG11 . 50027 1
89 . 1 . 1 11 11 VAL HG12 H 1 1.043 0.013 . 2 . . 248 . . 11 VAL HG12 . 50027 1
90 . 1 . 1 11 11 VAL HG13 H 1 1.043 0.013 . 2 . . 248 . . 11 VAL HG13 . 50027 1
91 . 1 . 1 11 11 VAL HG21 H 1 0.916 0.01 . 2 . . 249 . . 11 VAL HG21 . 50027 1
92 . 1 . 1 11 11 VAL HG22 H 1 0.916 0.01 . 2 . . 249 . . 11 VAL HG22 . 50027 1
93 . 1 . 1 11 11 VAL HG23 H 1 0.916 0.01 . 2 . . 249 . . 11 VAL HG23 . 50027 1
94 . 1 . 1 11 11 VAL C C 13 178.214 0.006 . 1 . . 116 . . 11 VAL C . 50027 1
95 . 1 . 1 11 11 VAL CA C 13 66.651 0.061 . 1 . . 115 . . 11 VAL CA . 50027 1
96 . 1 . 1 11 11 VAL CB C 13 31.471 0.022 . 1 . . 113 . . 11 VAL CB . 50027 1
97 . 1 . 1 11 11 VAL CG1 C 13 22.860 0.001 . 2 . . 296 . . 11 VAL CG1 . 50027 1
98 . 1 . 1 11 11 VAL CG2 C 13 21.309 0.001 . 2 . . 308 . . 11 VAL CG2 . 50027 1
99 . 1 . 1 11 11 VAL N N 15 120.032 0.002 . 1 . . 6 . . 11 VAL N . 50027 1
100 . 1 . 1 12 12 ALA H H 1 8.778 0.002 . 1 . . 29 . . 12 ALA H . 50027 1
101 . 1 . 1 12 12 ALA HB1 H 1 2.066 0.003 . 1 . . 310 . . 12 ALA HB1 . 50027 1
102 . 1 . 1 12 12 ALA HB2 H 1 2.066 0.003 . 1 . . 310 . . 12 ALA HB2 . 50027 1
103 . 1 . 1 12 12 ALA HB3 H 1 2.066 0.003 . 1 . . 310 . . 12 ALA HB3 . 50027 1
104 . 1 . 1 12 12 ALA C C 13 176.879 0.013 . 1 . . 145 . . 12 ALA C . 50027 1
105 . 1 . 1 12 12 ALA CA C 13 72.252 . . 1 . . 144 . . 12 ALA CA . 50027 1
106 . 1 . 1 12 12 ALA CB C 13 28.680 0.019 . 1 . . 143 . . 12 ALA CB . 50027 1
107 . 1 . 1 12 12 ALA N N 15 131.056 0.005 . 1 . . 30 . . 12 ALA N . 50027 1
108 . 1 . 1 13 13 ASN H H 1 8.631 0.009 . 1 . . 65 . . 13 ASN H . 50027 1
109 . 1 . 1 13 13 ASN HA H 1 4.535 0.014 . 1 . . 220 . . 13 ASN HA . 50027 1
110 . 1 . 1 13 13 ASN HB2 H 1 2.897 0.012 . 1 . . 272 . . 13 ASN HB2 . 50027 1
111 . 1 . 1 13 13 ASN HD21 H 1 6.975 0.004 . 1 . . 340 . . 13 ASN HD21 . 50027 1
112 . 1 . 1 13 13 ASN HD22 H 1 7.637 0.003 . 1 . . 341 . . 13 ASN HD22 . 50027 1
113 . 1 . 1 13 13 ASN C C 13 177.488 . . 1 . . 140 . . 13 ASN C . 50027 1
114 . 1 . 1 13 13 ASN CA C 13 55.558 0.019 . 1 . . 142 . . 13 ASN CA . 50027 1
115 . 1 . 1 13 13 ASN CB C 13 37.579 0.006 . 1 . . 141 . . 13 ASN CB . 50027 1
116 . 1 . 1 13 13 ASN N N 15 114.650 0.002 . 1 . . 66 . . 13 ASN N . 50027 1
117 . 1 . 1 13 13 ASN ND2 N 15 111.881 0.0 . 1 . . 342 . . 13 ASN ND2 . 50027 1
118 . 1 . 1 14 14 SER H H 1 7.775 0.002 . 1 . . 49 . . 14 SER H . 50027 1
119 . 1 . 1 14 14 SER HA H 1 4.203 0.019 . 1 . . 214 . . 14 SER HA . 50027 1
120 . 1 . 1 14 14 SER HB2 H 1 3.762 0.013 . 1 . . 264 . . 14 SER HB2 . 50027 1
121 . 1 . 1 14 14 SER C C 13 174.404 0.024 . 1 . . 135 . . 14 SER C . 50027 1
122 . 1 . 1 14 14 SER CA C 13 60.938 0.029 . 1 . . 138 . . 14 SER CA . 50027 1
123 . 1 . 1 14 14 SER CB C 13 62.479 0.014 . 1 . . 139 . . 14 SER CB . 50027 1
124 . 1 . 1 14 14 SER N N 15 117.615 0.002 . 1 . . 50 . . 14 SER N . 50027 1
125 . 1 . 1 15 15 HIS H H 1 7.103 0.014 . 1 . . 73 . . 15 HIS H . 50027 1
126 . 1 . 1 15 15 HIS HA H 1 4.319 0.012 . 1 . . 223 . . 15 HIS HA . 50027 1
127 . 1 . 1 15 15 HIS HB2 H 1 3.069 0.022 . 2 . . 290 . . 15 HIS HB2 . 50027 1
128 . 1 . 1 15 15 HIS HB3 H 1 2.915 0.016 . 2 . . 291 . . 15 HIS HB3 . 50027 1
129 . 1 . 1 15 15 HIS HD2 H 1 6.976 . . 1 . . 366 . . 15 HIS HD2 . 50027 1
130 . 1 . 1 15 15 HIS HE1 H 1 7.519 . . 1 . . 367 . . 15 HIS HE1 . 50027 1
131 . 1 . 1 15 15 HIS C C 13 172.699 0.016 . 1 . . 134 . . 15 HIS C . 50027 1
132 . 1 . 1 15 15 HIS CA C 13 57.646 0.04 . 1 . . 137 . . 15 HIS CA . 50027 1
133 . 1 . 1 15 15 HIS CB C 13 31.142 0.044 . 1 . . 136 . . 15 HIS CB . 50027 1
134 . 1 . 1 15 15 HIS N N 15 118.005 0.024 . 1 . . 74 . . 15 HIS N . 50027 1
135 . 1 . 1 16 16 ASN H H 1 7.296 0.007 . 1 . . 43 . . 16 ASN H . 50027 1
136 . 1 . 1 16 16 ASN HD21 H 1 6.714 . . 1 . . 368 . . 16 ASN HD21 . 50027 1
137 . 1 . 1 16 16 ASN HD22 H 1 8.508 . . 1 . . 370 . . 16 ASN HD22 . 50027 1
138 . 1 . 1 16 16 ASN C C 13 172.460 0.04 . 1 . . 128 . . 16 ASN C . 50027 1
139 . 1 . 1 16 16 ASN CA C 13 68.563 0.009 . 1 . . 133 . . 16 ASN CA . 50027 1
140 . 1 . 1 16 16 ASN CB C 13 45.131 0.062 . 1 . . 132 . . 16 ASN CB . 50027 1
141 . 1 . 1 16 16 ASN N N 15 128.931 0.0 . 1 . . 44 . . 16 ASN N . 50027 1
142 . 1 . 1 16 16 ASN ND2 N 15 118.465 . . 1 . . 369 . . 16 ASN ND2 . 50027 1
143 . 1 . 1 17 17 ALA H H 1 9.214 0.005 . 1 . . 63 . . 17 ALA H . 50027 1
144 . 1 . 1 17 17 ALA HA H 1 4.881 0.009 . 1 . . 215 . . 17 ALA HA . 50027 1
145 . 1 . 1 17 17 ALA HB1 H 1 1.349 0.004 . 1 . . 281 . . 17 ALA HB1 . 50027 1
146 . 1 . 1 17 17 ALA HB2 H 1 1.349 0.004 . 1 . . 281 . . 17 ALA HB2 . 50027 1
147 . 1 . 1 17 17 ALA HB3 H 1 1.349 0.004 . 1 . . 281 . . 17 ALA HB3 . 50027 1
148 . 1 . 1 17 17 ALA C C 13 177.573 0.038 . 1 . . 127 . . 17 ALA C . 50027 1
149 . 1 . 1 17 17 ALA CA C 13 51.663 0.058 . 1 . . 131 . . 17 ALA CA . 50027 1
150 . 1 . 1 17 17 ALA CB C 13 20.343 0.022 . 1 . . 130 . . 17 ALA CB . 50027 1
151 . 1 . 1 17 17 ALA N N 15 129.781 0.002 . 1 . . 64 . . 17 ALA N . 50027 1
152 . 1 . 1 18 18 GLY H H 1 8.781 0.004 . 1 . . 27 . . 18 GLY H . 50027 1
153 . 1 . 1 18 18 GLY HA2 H 1 4.504 0.006 . 2 . . 211 . . 18 GLY HA2 . 50027 1
154 . 1 . 1 18 18 GLY HA3 H 1 3.872 0.005 . 2 . . 274 . . 18 GLY HA3 . 50027 1
155 . 1 . 1 18 18 GLY C C 13 173.280 . . 1 . . 126 . . 18 GLY C . 50027 1
156 . 1 . 1 18 18 GLY CA C 13 45.830 0.0 . 1 . . 129 . . 18 GLY CA . 50027 1
157 . 1 . 1 18 18 GLY N N 15 110.054 0.0 . 1 . . 28 . . 18 GLY N . 50027 1
158 . 1 . 1 19 19 PRO C C 13 175.958 . . 1 . . 160 . . 19 PRO C . 50027 1
159 . 1 . 1 19 19 PRO CA C 13 63.862 . . 1 . . 161 . . 19 PRO CA . 50027 1
160 . 1 . 1 19 19 PRO CB C 13 31.204 . . 1 . . 162 . . 19 PRO CB . 50027 1
161 . 1 . 1 20 20 ALA H H 1 8.166 0.002 . 1 . . 37 . . 20 ALA H . 50027 1
162 . 1 . 1 20 20 ALA HA H 1 3.917 0.015 . 1 . . 210 . . 20 ALA HA . 50027 1
163 . 1 . 1 20 20 ALA HB1 H 1 0.806 0.004 . 1 . . 234 . . 20 ALA HB1 . 50027 1
164 . 1 . 1 20 20 ALA HB2 H 1 0.806 0.004 . 1 . . 234 . . 20 ALA HB2 . 50027 1
165 . 1 . 1 20 20 ALA HB3 H 1 0.806 0.004 . 1 . . 234 . . 20 ALA HB3 . 50027 1
166 . 1 . 1 20 20 ALA C C 13 176.937 0.0 . 1 . . 157 . . 20 ALA C . 50027 1
167 . 1 . 1 20 20 ALA CA C 13 52.389 0.025 . 1 . . 158 . . 20 ALA CA . 50027 1
168 . 1 . 1 20 20 ALA CB C 13 18.399 0.004 . 1 . . 159 . . 20 ALA CB . 50027 1
169 . 1 . 1 20 20 ALA N N 15 119.859 0.003 . 1 . . 38 . . 20 ALA N . 50027 1
170 . 1 . 1 21 21 TYR H H 1 7.597 0.003 . 1 . . 55 . . 21 TYR H . 50027 1
171 . 1 . 1 21 21 TYR HA H 1 5.047 0.011 . 1 . . 205 . . 21 TYR HA . 50027 1
172 . 1 . 1 21 21 TYR HB2 H 1 3.045 0.013 . 2 . . 243 . . 21 TYR HB2 . 50027 1
173 . 1 . 1 21 21 TYR HB3 H 1 2.982 0.002 . 2 . . 244 . . 21 TYR HB3 . 50027 1
174 . 1 . 1 21 21 TYR HD1 H 1 7.094 0.002 . 1 . . 343 . . 21 TYR HD1 . 50027 1
175 . 1 . 1 21 21 TYR HD2 H 1 7.094 0.002 . 1 . . 343 . . 21 TYR HD2 . 50027 1
176 . 1 . 1 21 21 TYR HE1 H 1 6.818 0.003 . 1 . . 344 . . 21 TYR HE1 . 50027 1
177 . 1 . 1 21 21 TYR HE2 H 1 6.818 0.003 . 1 . . 344 . . 21 TYR HE2 . 50027 1
178 . 1 . 1 21 21 TYR C C 13 174.607 0.036 . 1 . . 154 . . 21 TYR C . 50027 1
179 . 1 . 1 21 21 TYR CA C 13 56.831 0.028 . 1 . . 156 . . 21 TYR CA . 50027 1
180 . 1 . 1 21 21 TYR CB C 13 42.990 0.011 . 1 . . 155 . . 21 TYR CB . 50027 1
181 . 1 . 1 21 21 TYR N N 15 114.011 0.004 . 1 . . 56 . . 21 TYR N . 50027 1
182 . 1 . 1 22 22 CYS H H 1 9.014 0.002 . 1 . . 17 . . 22 CYS H . 50027 1
183 . 1 . 1 22 22 CYS HA H 1 4.714 0.018 . 1 . . 284 . . 22 CYS HA . 50027 1
184 . 1 . 1 22 22 CYS HB2 H 1 3.278 0.019 . 2 . . 285 . . 22 CYS HB2 . 50027 1
185 . 1 . 1 22 22 CYS HB3 H 1 2.739 0.012 . 2 . . 286 . . 22 CYS HB3 . 50027 1
186 . 1 . 1 22 22 CYS C C 13 173.340 0.012 . 1 . . 151 . . 22 CYS C . 50027 1
187 . 1 . 1 22 22 CYS CA C 13 58.381 0.002 . 1 . . 153 . . 22 CYS CA . 50027 1
188 . 1 . 1 22 22 CYS CB C 13 31.819 0.026 . 1 . . 152 . . 22 CYS CB . 50027 1
189 . 1 . 1 22 22 CYS N N 15 121.215 0.0 . 1 . . 18 . . 22 CYS N . 50027 1
190 . 1 . 1 23 23 VAL H H 1 8.651 0.003 . 1 . . 31 . . 23 VAL H . 50027 1
191 . 1 . 1 23 23 VAL HA H 1 4.314 0.006 . 1 . . 224 . . 23 VAL HA . 50027 1
192 . 1 . 1 23 23 VAL HB H 1 2.448 0.017 . 1 . . 261 . . 23 VAL HB . 50027 1
193 . 1 . 1 23 23 VAL HG11 H 1 1.030 0.01 . 2 . . 262 . . 23 VAL HG11 . 50027 1
194 . 1 . 1 23 23 VAL HG12 H 1 1.030 0.01 . 2 . . 262 . . 23 VAL HG12 . 50027 1
195 . 1 . 1 23 23 VAL HG13 H 1 1.030 0.01 . 2 . . 262 . . 23 VAL HG13 . 50027 1
196 . 1 . 1 23 23 VAL HG21 H 1 0.865 0.009 . 2 . . 263 . . 23 VAL HG21 . 50027 1
197 . 1 . 1 23 23 VAL HG22 H 1 0.865 0.009 . 2 . . 263 . . 23 VAL HG22 . 50027 1
198 . 1 . 1 23 23 VAL HG23 H 1 0.865 0.009 . 2 . . 263 . . 23 VAL HG23 . 50027 1
199 . 1 . 1 23 23 VAL C C 13 174.773 0.022 . 1 . . 150 . . 23 VAL C . 50027 1
200 . 1 . 1 23 23 VAL CA C 13 61.972 0.031 . 1 . . 148 . . 23 VAL CA . 50027 1
201 . 1 . 1 23 23 VAL CB C 13 35.141 0.003 . 1 . . 147 . . 23 VAL CB . 50027 1
202 . 1 . 1 23 23 VAL CG1 C 13 21.771 . . 2 . . 297 . . 23 VAL CG1 . 50027 1
203 . 1 . 1 23 23 VAL CG2 C 13 20.995 0.005 . 2 . . 298 . . 23 VAL CG2 . 50027 1
204 . 1 . 1 23 23 VAL N N 15 125.616 0.007 . 1 . . 32 . . 23 VAL N . 50027 1
205 . 1 . 1 24 24 GLY H H 1 8.807 0.005 . 1 . . 19 . . 24 GLY H . 50027 1
206 . 1 . 1 24 24 GLY HA2 H 1 3.150 0.022 . 2 . . 242 . . 24 GLY HA2 . 50027 1
207 . 1 . 1 24 24 GLY HA3 H 1 5.059 0.007 . 2 . . 275 . . 24 GLY HA3 . 50027 1
208 . 1 . 1 24 24 GLY C C 13 172.084 0.022 . 1 . . 149 . . 24 GLY C . 50027 1
209 . 1 . 1 24 24 GLY CA C 13 43.553 0.017 . 1 . . 146 . . 24 GLY CA . 50027 1
210 . 1 . 1 24 24 GLY N N 15 113.918 0.0 . 1 . . 20 . . 24 GLY N . 50027 1
211 . 1 . 1 25 25 TYR H H 1 8.910 0.005 . 1 . . 47 . . 25 TYR H . 50027 1
212 . 1 . 1 25 25 TYR HA H 1 4.684 0.021 . 1 . . 206 . . 25 TYR HA . 50027 1
213 . 1 . 1 25 25 TYR HB2 H 1 2.202 0.023 . 1 . . 259 . . 25 TYR HB2 . 50027 1
214 . 1 . 1 25 25 TYR HD1 H 1 7.033 0.002 . 1 . . 345 . . 25 TYR HD1 . 50027 1
215 . 1 . 1 25 25 TYR HD2 H 1 7.033 0.002 . 1 . . 345 . . 25 TYR HD2 . 50027 1
216 . 1 . 1 25 25 TYR HE1 H 1 6.777 0.004 . 1 . . 346 . . 25 TYR HE1 . 50027 1
217 . 1 . 1 25 25 TYR HE2 H 1 6.777 0.004 . 1 . . 346 . . 25 TYR HE2 . 50027 1
218 . 1 . 1 25 25 TYR C C 13 176.627 . . 1 . . 180 . . 25 TYR C . 50027 1
219 . 1 . 1 25 25 TYR CA C 13 57.390 0.0 . 1 . . 182 . . 25 TYR CA . 50027 1
220 . 1 . 1 25 25 TYR CB C 13 40.089 0.001 . 1 . . 181 . . 25 TYR CB . 50027 1
221 . 1 . 1 25 25 TYR N N 15 125.128 0.005 . 1 . . 48 . . 25 TYR N . 50027 1
222 . 1 . 1 26 26 CYS HA H 1 5.267 0.002 . 1 . . 363 . . 26 CYS HA . 50027 1
223 . 1 . 1 26 26 CYS HB2 H 1 3.515 0.001 . 2 . . 364 . . 26 CYS HB2 . 50027 1
224 . 1 . 1 26 26 CYS HB3 H 1 3.584 0.001 . 2 . . 365 . . 26 CYS HB3 . 50027 1
225 . 1 . 1 28 28 ASN HA H 1 4.948 0.003 . 1 . . 313 . . 28 ASN HA . 50027 1
226 . 1 . 1 28 28 ASN HB2 H 1 2.926 . . 2 . . 312 . . 28 ASN HB2 . 50027 1
227 . 1 . 1 28 28 ASN HB3 H 1 2.722 0.003 . 2 . . 314 . . 28 ASN HB3 . 50027 1
228 . 1 . 1 28 28 ASN HD21 H 1 6.904 0.002 . 1 . . 357 . . 28 ASN HD21 . 50027 1
229 . 1 . 1 28 28 ASN HD22 H 1 7.593 0.002 . 1 . . 358 . . 28 ASN HD22 . 50027 1
230 . 1 . 1 28 28 ASN C C 13 176.041 . . 1 . . 177 . . 28 ASN C . 50027 1
231 . 1 . 1 28 28 ASN CA C 13 52.160 . . 1 . . 179 . . 28 ASN CA . 50027 1
232 . 1 . 1 28 28 ASN CB C 13 37.729 0.001 . 1 . . 178 . . 28 ASN CB . 50027 1
233 . 1 . 1 28 28 ASN ND2 N 15 112.899 0.009 . 1 . . 361 . . 28 ASN ND2 . 50027 1
234 . 1 . 1 29 29 ASN H H 1 7.978 0.003 . 1 . . 1 . . 29 ASN H . 50027 1
235 . 1 . 1 29 29 ASN HA H 1 4.587 0.009 . 1 . . 208 . . 29 ASN HA . 50027 1
236 . 1 . 1 29 29 ASN HB2 H 1 2.803 0.01 . 2 . . 232 . . 29 ASN HB2 . 50027 1
237 . 1 . 1 29 29 ASN HB3 H 1 2.928 0.008 . 2 . . 233 . . 29 ASN HB3 . 50027 1
238 . 1 . 1 29 29 ASN HD21 H 1 6.856 0.003 . 1 . . 334 . . 29 ASN HD21 . 50027 1
239 . 1 . 1 29 29 ASN HD22 H 1 7.378 0.002 . 1 . . 335 . . 29 ASN HD22 . 50027 1
240 . 1 . 1 29 29 ASN C C 13 175.342 0.018 . 1 . . 174 . . 29 ASN C . 50027 1
241 . 1 . 1 29 29 ASN CA C 13 54.999 0.05 . 1 . . 175 . . 29 ASN CA . 50027 1
242 . 1 . 1 29 29 ASN CB C 13 39.999 0.02 . 1 . . 176 . . 29 ASN CB . 50027 1
243 . 1 . 1 29 29 ASN N N 15 115.765 0.005 . 1 . . 2 . . 29 ASN N . 50027 1
244 . 1 . 1 29 29 ASN ND2 N 15 115.212 0.01 . 1 . . 336 . . 29 ASN ND2 . 50027 1
245 . 1 . 1 30 30 GLY H H 1 8.516 0.003 . 1 . . 53 . . 30 GLY H . 50027 1
246 . 1 . 1 30 30 GLY HA2 H 1 3.779 0.005 . 2 . . 257 . . 30 GLY HA2 . 50027 1
247 . 1 . 1 30 30 GLY HA3 H 1 4.377 0.005 . 2 . . 311 . . 30 GLY HA3 . 50027 1
248 . 1 . 1 30 30 GLY C C 13 173.711 0.024 . 1 . . 172 . . 30 GLY C . 50027 1
249 . 1 . 1 30 30 GLY CA C 13 44.181 0.025 . 1 . . 173 . . 30 GLY CA . 50027 1
250 . 1 . 1 30 30 GLY N N 15 109.894 0.0 . 1 . . 54 . . 30 GLY N . 50027 1
251 . 1 . 1 31 31 VAL H H 1 8.204 0.004 . 1 . . 39 . . 31 VAL H . 50027 1
252 . 1 . 1 31 31 VAL HA H 1 3.511 0.006 . 1 . . 225 . . 31 VAL HA . 50027 1
253 . 1 . 1 31 31 VAL HB H 1 1.988 0.009 . 1 . . 276 . . 31 VAL HB . 50027 1
254 . 1 . 1 31 31 VAL HG11 H 1 0.935 0.014 . 1 . . 277 . . 31 VAL HG11 . 50027 1
255 . 1 . 1 31 31 VAL HG12 H 1 0.935 0.014 . 1 . . 277 . . 31 VAL HG12 . 50027 1
256 . 1 . 1 31 31 VAL HG13 H 1 0.935 0.014 . 1 . . 277 . . 31 VAL HG13 . 50027 1
257 . 1 . 1 31 31 VAL C C 13 176.764 0.018 . 1 . . 169 . . 31 VAL C . 50027 1
258 . 1 . 1 31 31 VAL CA C 13 65.470 0.074 . 1 . . 170 . . 31 VAL CA . 50027 1
259 . 1 . 1 31 31 VAL CB C 13 32.102 0.029 . 1 . . 171 . . 31 VAL CB . 50027 1
260 . 1 . 1 31 31 VAL CG1 C 13 21.711 0.002 . 1 . . 304 . . 31 VAL CG1 . 50027 1
261 . 1 . 1 31 31 VAL N N 15 118.758 0.0 . 1 . . 40 . . 31 VAL N . 50027 1
262 . 1 . 1 32 32 VAL H H 1 8.066 0.003 . 1 . . 67 . . 32 VAL H . 50027 1
263 . 1 . 1 32 32 VAL HA H 1 3.633 0.008 . 1 . . 209 . . 32 VAL HA . 50027 1
264 . 1 . 1 32 32 VAL HB H 1 2.001 0.009 . 1 . . 252 . . 32 VAL HB . 50027 1
265 . 1 . 1 32 32 VAL HG11 H 1 0.994 0.036 . 2 . . 253 . . 32 VAL HG11 . 50027 1
266 . 1 . 1 32 32 VAL HG12 H 1 0.994 0.036 . 2 . . 253 . . 32 VAL HG12 . 50027 1
267 . 1 . 1 32 32 VAL HG13 H 1 0.994 0.036 . 2 . . 253 . . 32 VAL HG13 . 50027 1
268 . 1 . 1 32 32 VAL HG21 H 1 0.888 0.007 . 2 . . 254 . . 32 VAL HG21 . 50027 1
269 . 1 . 1 32 32 VAL HG22 H 1 0.888 0.007 . 2 . . 254 . . 32 VAL HG22 . 50027 1
270 . 1 . 1 32 32 VAL HG23 H 1 0.888 0.007 . 2 . . 254 . . 32 VAL HG23 . 50027 1
271 . 1 . 1 32 32 VAL C C 13 179.862 0.016 . 1 . . 168 . . 32 VAL C . 50027 1
272 . 1 . 1 32 32 VAL CA C 13 66.872 0.024 . 1 . . 166 . . 32 VAL CA . 50027 1
273 . 1 . 1 32 32 VAL CB C 13 30.690 0.018 . 1 . . 167 . . 32 VAL CB . 50027 1
274 . 1 . 1 32 32 VAL CG1 C 13 22.830 0.0 . 2 . . 305 . . 32 VAL CG1 . 50027 1
275 . 1 . 1 32 32 VAL CG2 C 13 21.060 0.0 . 2 . . 306 . . 32 VAL CG2 . 50027 1
276 . 1 . 1 32 32 VAL N N 15 122.172 0.002 . 1 . . 68 . . 32 VAL N . 50027 1
277 . 1 . 1 33 33 THR H H 1 7.940 0.002 . 1 . . 71 . . 33 THR H . 50027 1
278 . 1 . 1 33 33 THR HA H 1 3.850 0.007 . 1 . . 218 . . 33 THR HA . 50027 1
279 . 1 . 1 33 33 THR HB H 1 3.705 0.01 . 1 . . 266 . . 33 THR HB . 50027 1
280 . 1 . 1 33 33 THR HG21 H 1 1.033 0.011 . 1 . . 265 . . 33 THR HG1 . 50027 1
281 . 1 . 1 33 33 THR HG22 H 1 1.033 0.011 . 1 . . 265 . . 33 THR HG1 . 50027 1
282 . 1 . 1 33 33 THR HG23 H 1 1.033 0.011 . 1 . . 265 . . 33 THR HG1 . 50027 1
283 . 1 . 1 33 33 THR C C 13 173.137 . . 1 . . 163 . . 33 THR C . 50027 1
284 . 1 . 1 33 33 THR CA C 13 67.222 0.022 . 1 . . 164 . . 33 THR CA . 50027 1
285 . 1 . 1 33 33 THR CB C 13 68.410 0.054 . 1 . . 165 . . 33 THR CB . 50027 1
286 . 1 . 1 33 33 THR CG2 C 13 21.288 0.002 . 1 . . 293 . . 33 THR CG2 . 50027 1
287 . 1 . 1 33 33 THR N N 15 118.888 0.003 . 1 . . 72 . . 33 THR N . 50027 1
288 . 1 . 1 34 34 ARG H H 1 8.778 0.004 . 1 . . 9 . . 34 ARG H . 50027 1
289 . 1 . 1 34 34 ARG HB2 H 1 2.298 0.011 . 2 . . 318 . . 34 ARG HB2 . 50027 1
290 . 1 . 1 34 34 ARG HB3 H 1 2.011 0.002 . 2 . . 319 . . 34 ARG HB3 . 50027 1
291 . 1 . 1 34 34 ARG HG2 H 1 1.914 0.017 . 2 . . 320 . . 34 ARG HG2 . 50027 1
292 . 1 . 1 34 34 ARG HG3 H 1 1.271 0.005 . 2 . . 321 . . 34 ARG HG3 . 50027 1
293 . 1 . 1 34 34 ARG HD2 H 1 3.206 0.008 . 2 . . 316 . . 34 ARG HD2 . 50027 1
294 . 1 . 1 34 34 ARG HD3 H 1 3.141 0.01 . 2 . . 317 . . 34 ARG HD3 . 50027 1
295 . 1 . 1 34 34 ARG C C 13 175.366 0.006 . 1 . . 109 . . 34 ARG C . 50027 1
296 . 1 . 1 34 34 ARG CA C 13 74.477 0.076 . 1 . . 110 . . 34 ARG CA . 50027 1
297 . 1 . 1 34 34 ARG CB C 13 35.110 0.013 . 1 . . 111 . . 34 ARG CB . 50027 1
298 . 1 . 1 34 34 ARG CG C 13 25.731 0.0 . 1 . . 330 . . 34 ARG CG . 50027 1
299 . 1 . 1 34 34 ARG CD C 13 43.044 0.026 . 1 . . 315 . . 34 ARG CD . 50027 1
300 . 1 . 1 34 34 ARG N N 15 130.011 0.0 . 1 . . 10 . . 34 ARG N . 50027 1
301 . 1 . 1 35 35 ASN H H 1 8.530 0.004 . 1 . . 61 . . 35 ASN H . 50027 1
302 . 1 . 1 35 35 ASN HA H 1 4.350 0.005 . 1 . . 227 . . 35 ASN HA . 50027 1
303 . 1 . 1 35 35 ASN HB2 H 1 2.886 0.01 . 2 . . 230 . . 35 ASN HB2 . 50027 1
304 . 1 . 1 35 35 ASN HB3 H 1 2.780 0.01 . 2 . . 231 . . 35 ASN HB3 . 50027 1
305 . 1 . 1 35 35 ASN HD21 H 1 7.650 0.003 . 1 . . 352 . . 35 ASN HD21 . 50027 1
306 . 1 . 1 35 35 ASN HD22 H 1 7.005 0.004 . 1 . . 354 . . 35 ASN HD22 . 50027 1
307 . 1 . 1 35 35 ASN C C 13 177.375 0.004 . 1 . . 106 . . 35 ASN C . 50027 1
308 . 1 . 1 35 35 ASN CA C 13 55.459 0.022 . 1 . . 108 . . 35 ASN CA . 50027 1
309 . 1 . 1 35 35 ASN CB C 13 37.372 0.025 . 1 . . 107 . . 35 ASN CB . 50027 1
310 . 1 . 1 35 35 ASN N N 15 115.856 0.021 . 1 . . 62 . . 35 ASN N . 50027 1
311 . 1 . 1 35 35 ASN ND2 N 15 112.396 0.005 . 1 . . 353 . . 35 ASN ND2 . 50027 1
312 . 1 . 1 36 36 ALA H H 1 8.128 0.002 . 1 . . 35 . . 36 ALA H . 50027 1
313 . 1 . 1 36 36 ALA HA H 1 4.161 0.01 . 1 . . 212 . . 36 ALA HA . 50027 1
314 . 1 . 1 36 36 ALA HB1 H 1 1.504 0.005 . 1 . . 280 . . 36 ALA HB1 . 50027 1
315 . 1 . 1 36 36 ALA HB2 H 1 1.504 0.005 . 1 . . 280 . . 36 ALA HB2 . 50027 1
316 . 1 . 1 36 36 ALA HB3 H 1 1.504 0.005 . 1 . . 280 . . 36 ALA HB3 . 50027 1
317 . 1 . 1 36 36 ALA C C 13 180.441 0.01 . 1 . . 103 . . 36 ALA C . 50027 1
318 . 1 . 1 36 36 ALA CA C 13 55.491 0.002 . 1 . . 105 . . 36 ALA CA . 50027 1
319 . 1 . 1 36 36 ALA CB C 13 17.410 0.0 . 1 . . 104 . . 36 ALA CB . 50027 1
320 . 1 . 1 36 36 ALA N N 15 126.943 0.002 . 1 . . 36 . . 36 ALA N . 50027 1
321 . 1 . 1 37 37 ASN H H 1 8.379 0.003 . 1 . . 57 . . 37 ASN H . 50027 1
322 . 1 . 1 37 37 ASN HA H 1 4.251 0.011 . 1 . . 207 . . 37 ASN HA . 50027 1
323 . 1 . 1 37 37 ASN HB2 H 1 3.008 0.008 . 2 . . 250 . . 37 ASN HB2 . 50027 1
324 . 1 . 1 37 37 ASN HB3 H 1 2.518 0.011 . 2 . . 251 . . 37 ASN HB3 . 50027 1
325 . 1 . 1 37 37 ASN HD21 H 1 6.132 0.004 . 1 . . 337 . . 37 ASN HD21 . 50027 1
326 . 1 . 1 37 37 ASN HD22 H 1 6.376 0.004 . 1 . . 338 . . 37 ASN HD22 . 50027 1
327 . 1 . 1 37 37 ASN C C 13 177.053 0.004 . 1 . . 100 . . 37 ASN C . 50027 1
328 . 1 . 1 37 37 ASN CA C 13 55.210 0.0 . 1 . . 102 . . 37 ASN CA . 50027 1
329 . 1 . 1 37 37 ASN CB C 13 36.739 0.019 . 1 . . 101 . . 37 ASN CB . 50027 1
330 . 1 . 1 37 37 ASN N N 15 118.457 0.004 . 1 . . 58 . . 37 ASN N . 50027 1
331 . 1 . 1 37 37 ASN ND2 N 15 107.713 0.0 . 1 . . 339 . . 37 ASN ND2 . 50027 1
332 . 1 . 1 38 38 ALA H H 1 7.709 0.004 . 1 . . 11 . . 38 ALA H . 50027 1
333 . 1 . 1 38 38 ALA HA H 1 3.697 0.01 . 1 . . 256 . . 38 ALA HA . 50027 1
334 . 1 . 1 38 38 ALA HB1 H 1 1.522 0.008 . 1 . . 255 . . 38 ALA HB1 . 50027 1
335 . 1 . 1 38 38 ALA HB2 H 1 1.522 0.008 . 1 . . 255 . . 38 ALA HB2 . 50027 1
336 . 1 . 1 38 38 ALA HB3 H 1 1.522 0.008 . 1 . . 255 . . 38 ALA HB3 . 50027 1
337 . 1 . 1 38 38 ALA C C 13 179.077 0.009 . 1 . . 97 . . 38 ALA C . 50027 1
338 . 1 . 1 38 38 ALA CA C 13 55.190 0.001 . 1 . . 98 . . 38 ALA CA . 50027 1
339 . 1 . 1 38 38 ALA CB C 13 17.998 0.031 . 1 . . 99 . . 38 ALA CB . 50027 1
340 . 1 . 1 38 38 ALA N N 15 123.433 0.005 . 1 . . 12 . . 38 ALA N . 50027 1
341 . 1 . 1 39 39 ASN H H 1 8.099 0.003 . 1 . . 33 . . 39 ASN H . 50027 1
342 . 1 . 1 39 39 ASN HA H 1 4.402 0.013 . 1 . . 216 . . 39 ASN HA . 50027 1
343 . 1 . 1 39 39 ASN HB2 H 1 2.825 0.008 . 1 . . 289 . . 39 ASN HB2 . 50027 1
344 . 1 . 1 39 39 ASN HD21 H 1 6.939 0.002 . 1 . . 355 . . 39 ASN HD21 . 50027 1
345 . 1 . 1 39 39 ASN HD22 H 1 7.571 0.002 . 1 . . 356 . . 39 ASN HD22 . 50027 1
346 . 1 . 1 39 39 ASN C C 13 177.906 0.024 . 1 . . 94 . . 39 ASN C . 50027 1
347 . 1 . 1 39 39 ASN CA C 13 56.420 0.028 . 1 . . 95 . . 39 ASN CA . 50027 1
348 . 1 . 1 39 39 ASN CB C 13 38.612 0.021 . 1 . . 96 . . 39 ASN CB . 50027 1
349 . 1 . 1 39 39 ASN N N 15 117.945 0.003 . 1 . . 34 . . 39 ASN N . 50027 1
350 . 1 . 1 39 39 ASN ND2 N 15 113.968 . . 1 . . 362 . . 39 ASN ND2 . 50027 1
351 . 1 . 1 40 40 VAL H H 1 7.973 0.004 . 1 . . 25 . . 40 VAL H . 50027 1
352 . 1 . 1 40 40 VAL HA H 1 3.591 0.01 . 1 . . 201 . . 40 VAL HA . 50027 1
353 . 1 . 1 40 40 VAL HB H 1 2.087 0.013 . 1 . . 239 . . 40 VAL HB . 50027 1
354 . 1 . 1 40 40 VAL HG11 H 1 1.079 0.006 . 2 . . 240 . . 40 VAL HG11 . 50027 1
355 . 1 . 1 40 40 VAL HG12 H 1 1.079 0.006 . 2 . . 240 . . 40 VAL HG12 . 50027 1
356 . 1 . 1 40 40 VAL HG13 H 1 1.079 0.006 . 2 . . 240 . . 40 VAL HG13 . 50027 1
357 . 1 . 1 40 40 VAL HG21 H 1 0.884 0.006 . 2 . . 241 . . 40 VAL HG21 . 50027 1
358 . 1 . 1 40 40 VAL HG22 H 1 0.884 0.006 . 2 . . 241 . . 40 VAL HG22 . 50027 1
359 . 1 . 1 40 40 VAL HG23 H 1 0.884 0.006 . 2 . . 241 . . 40 VAL HG23 . 50027 1
360 . 1 . 1 40 40 VAL C C 13 178.521 0.018 . 1 . . 93 . . 40 VAL C . 50027 1
361 . 1 . 1 40 40 VAL CA C 13 65.989 0.044 . 1 . . 91 . . 40 VAL CA . 50027 1
362 . 1 . 1 40 40 VAL CB C 13 31.502 0.056 . 1 . . 90 . . 40 VAL CB . 50027 1
363 . 1 . 1 40 40 VAL CG1 C 13 22.840 0.0 . 2 . . 307 . . 40 VAL CG1 . 50027 1
364 . 1 . 1 40 40 VAL CG2 C 13 21.259 0.001 . 2 . . 309 . . 40 VAL CG2 . 50027 1
365 . 1 . 1 40 40 VAL N N 15 121.679 0.008 . 1 . . 26 . . 40 VAL N . 50027 1
366 . 1 . 1 41 41 ALA H H 1 7.726 0.002 . 1 . . 41 . . 41 ALA H . 50027 1
367 . 1 . 1 41 41 ALA HA H 1 3.668 0.011 . 1 . . 237 . . 41 ALA HA . 50027 1
368 . 1 . 1 41 41 ALA HB1 H 1 1.257 0.005 . 1 . . 238 . . 41 ALA HB1 . 50027 1
369 . 1 . 1 41 41 ALA HB2 H 1 1.257 0.005 . 1 . . 238 . . 41 ALA HB2 . 50027 1
370 . 1 . 1 41 41 ALA HB3 H 1 1.257 0.005 . 1 . . 238 . . 41 ALA HB3 . 50027 1
371 . 1 . 1 41 41 ALA C C 13 177.990 0.012 . 1 . . 92 . . 41 ALA C . 50027 1
372 . 1 . 1 41 41 ALA CA C 13 55.229 0.041 . 1 . . 89 . . 41 ALA CA . 50027 1
373 . 1 . 1 41 41 ALA CB C 13 19.001 0.023 . 1 . . 88 . . 41 ALA CB . 50027 1
374 . 1 . 1 41 41 ALA N N 15 120.583 0.002 . 1 . . 42 . . 41 ALA N . 50027 1
375 . 1 . 1 42 42 LYS H H 1 8.790 0.005 . 1 . . 21 . . 42 LYS H . 50027 1
376 . 1 . 1 42 42 LYS HB2 H 1 2.394 0.005 . 2 . . 324 . . 42 LYS HB2 . 50027 1
377 . 1 . 1 42 42 LYS HB3 H 1 2.105 0.008 . 2 . . 325 . . 42 LYS HB3 . 50027 1
378 . 1 . 1 42 42 LYS HG2 H 1 1.081 0.003 . 1 . . 327 . . 42 LYS HG2 . 50027 1
379 . 1 . 1 42 42 LYS HD2 H 1 1.748 0.008 . 1 . . 326 . . 42 LYS HD2 . 50027 1
380 . 1 . 1 42 42 LYS HE2 H 1 2.983 0.003 . 1 . . 322 . . 42 LYS HE2 . 50027 1
381 . 1 . 1 42 42 LYS C C 13 175.193 . . 1 . . 85 . . 42 LYS C . 50027 1
382 . 1 . 1 42 42 LYS CA C 13 75.496 0.073 . 1 . . 86 . . 42 LYS CA . 50027 1
383 . 1 . 1 42 42 LYS CB C 13 39.429 0.025 . 1 . . 87 . . 42 LYS CB . 50027 1
384 . 1 . 1 42 42 LYS CG C 13 23.032 . . 1 . . 329 . . 42 LYS CG . 50027 1
385 . 1 . 1 42 42 LYS CD C 13 28.889 0.0 . 1 . . 328 . . 42 LYS CD . 50027 1
386 . 1 . 1 42 42 LYS CE C 13 42.254 0.0 . 1 . . 323 . . 42 LYS CE . 50027 1
387 . 1 . 1 42 42 LYS N N 15 123.860 0.013 . 1 . . 22 . . 42 LYS N . 50027 1
388 . 1 . 1 43 43 THR H H 1 7.051 0.003 . 1 . . 15 . . 43 THR H . 50027 1
389 . 1 . 1 43 43 THR HA H 1 4.251 0.02 . 1 . . 217 . . 43 THR HA . 50027 1
390 . 1 . 1 43 43 THR HB H 1 4.443 0.008 . 1 . . 268 . . 43 THR HB . 50027 1
391 . 1 . 1 43 43 THR HG21 H 1 1.173 0.015 . 1 . . 269 . . 43 THR HG1 . 50027 1
392 . 1 . 1 43 43 THR HG22 H 1 1.173 0.015 . 1 . . 269 . . 43 THR HG1 . 50027 1
393 . 1 . 1 43 43 THR HG23 H 1 1.173 0.015 . 1 . . 269 . . 43 THR HG1 . 50027 1
394 . 1 . 1 43 43 THR C C 13 173.645 0.03 . 1 . . 84 . . 43 THR C . 50027 1
395 . 1 . 1 43 43 THR CA C 13 61.884 0.014 . 1 . . 81 . . 43 THR CA . 50027 1
396 . 1 . 1 43 43 THR CB C 13 69.224 0.043 . 1 . . 82 . . 43 THR CB . 50027 1
397 . 1 . 1 43 43 THR CG2 C 13 21.870 0.0 . 1 . . 292 . . 43 THR CG2 . 50027 1
398 . 1 . 1 43 43 THR N N 15 105.266 0.005 . 1 . . 16 . . 43 THR N . 50027 1
399 . 1 . 1 44 44 ALA H H 1 7.155 0.003 . 1 . . 51 . . 44 ALA H . 50027 1
400 . 1 . 1 44 44 ALA HA H 1 3.886 0.002 . 1 . . 221 . . 44 ALA HA . 50027 1
401 . 1 . 1 44 44 ALA HB1 H 1 1.269 0.002 . 1 . . 267 . . 44 ALA HB1 . 50027 1
402 . 1 . 1 44 44 ALA HB2 H 1 1.269 0.002 . 1 . . 267 . . 44 ALA HB2 . 50027 1
403 . 1 . 1 44 44 ALA HB3 H 1 1.269 0.002 . 1 . . 267 . . 44 ALA HB3 . 50027 1
404 . 1 . 1 44 44 ALA C C 13 182.761 . . 1 . . 83 . . 44 ALA C . 50027 1
405 . 1 . 1 44 44 ALA CA C 13 54.926 . . 1 . . 80 . . 44 ALA CA . 50027 1
406 . 1 . 1 44 44 ALA CB C 13 18.715 0.064 . 1 . . 79 . . 44 ALA CB . 50027 1
407 . 1 . 1 44 44 ALA N N 15 132.531 0.003 . 1 . . 52 . . 44 ALA N . 50027 1
stop_
save_