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 52917
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'NMR assignments of the Fc fragment of human immunoglobulin G1 glycoprotein fucosylated, non-galactosylated (G0) glycoform'
_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' . . . 52917 1
2 '3D HNCO' . . . 52917 1
3 '3D HCACO' . . . 52917 1
4 '3D HCCH-COSY' . . . 52917 1
5 '1H-13C HMBC' . . . 52917 1
6 '2D 1H-13C HSQC-TOCSY' . . . 52917 1
7 '2D COSY' . . . 52917 1
8 '2D TOCSY' . . . 52917 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52917 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 2 2 CYS H H 1 8.2423 0.05 . 1 . . . . . 226 CYS H . 52917 1
2 . 1 . 1 2 2 CYS N N 15 119.01 0.05 . 1 . . . . . 226 CYS N . 52917 1
3 . 1 . 1 7 7 ALA H H 1 8.3429 0.05 . 1 . . . . . 231 ALA H . 52917 1
4 . 1 . 1 7 7 ALA N N 15 125.84 0.05 . 1 . . . . . 231 ALA N . 52917 1
5 . 1 . 1 9 9 GLU H H 1 8.6384 0.05 . 1 . . . . . 233 GLU H . 52917 1
6 . 1 . 1 9 9 GLU N N 15 120.63 0.05 . 1 . . . . . 233 GLU N . 52917 1
7 . 1 . 1 11 11 LEU H H 1 8.1744 0.05 . 1 . . . . . 235 LEU H . 52917 1
8 . 1 . 1 11 11 LEU N N 15 123.34 0.05 . 1 . . . . . 235 LEU N . 52917 1
9 . 1 . 1 12 12 GLY H H 1 8.4396 0.05 . 1 . . . . . 236 GLY H . 52917 1
10 . 1 . 1 12 12 GLY N N 15 109.59 0.05 . 1 . . . . . 236 GLY N . 52917 1
11 . 1 . 1 13 13 GLY H H 1 8.0493 0.05 . 1 . . . . . 237 GLY H . 52917 1
12 . 1 . 1 13 13 GLY N N 15 108.5 0.05 . 1 . . . . . 237 GLY N . 52917 1
13 . 1 . 1 15 15 SER H H 1 8.1543 0.05 . 1 . . . . . 239 SER H . 52917 1
14 . 1 . 1 15 15 SER N N 15 113.78 0.05 . 1 . . . . . 239 SER N . 52917 1
15 . 1 . 1 16 16 VAL H H 1 8.0244 0.05 . 1 . . . . . 240 VAL H . 52917 1
16 . 1 . 1 16 16 VAL N N 15 121.59 0.05 . 1 . . . . . 240 VAL N . 52917 1
17 . 1 . 1 17 17 PHE H H 1 9.5073 0.05 . 1 . . . . . 241 PHE H . 52917 1
18 . 1 . 1 17 17 PHE N N 15 124.64 0.05 . 1 . . . . . 241 PHE N . 52917 1
19 . 1 . 1 18 18 LEU H H 1 8.3128 0.05 . 1 . . . . . 242 LEU H . 52917 1
20 . 1 . 1 18 18 LEU N N 15 124.98 0.05 . 1 . . . . . 242 LEU N . 52917 1
21 . 1 . 1 19 19 PHE H H 1 9.4997 0.05 . 1 . . . . . 243 PHE H . 52917 1
22 . 1 . 1 19 19 PHE N N 15 123.86 0.05 . 1 . . . . . 243 PHE N . 52917 1
23 . 1 . 1 20 20 LYS H H 1 8.6897 0.05 . 1 . . . . . 244 LYS H . 52917 1
24 . 1 . 1 20 20 LYS N N 15 121.4 0.05 . 1 . . . . . 244 LYS N . 52917 1
25 . 1 . 1 22 22 LYS H H 1 8.7093 0.05 . 1 . . . . . 246 LYS H . 52917 1
26 . 1 . 1 22 22 LYS N N 15 122.34 0.05 . 1 . . . . . 246 LYS N . 52917 1
27 . 1 . 1 24 24 LYS H H 1 8.9008 0.05 . 1 . . . . . 248 LYS H . 52917 1
28 . 1 . 1 24 24 LYS N N 15 115.65 0.05 . 1 . . . . . 248 LYS N . 52917 1
29 . 1 . 1 26 26 THR H H 1 7.1514 0.05 . 1 . . . . . 250 THR H . 52917 1
30 . 1 . 1 26 26 THR N N 15 104.67 0.05 . 1 . . . . . 250 THR N . 52917 1
31 . 1 . 1 27 27 LEU H H 1 7.1867 0.05 . 1 . . . . . 251 LEU H . 52917 1
32 . 1 . 1 27 27 LEU N N 15 117.52 0.05 . 1 . . . . . 251 LEU N . 52917 1
33 . 1 . 1 28 28 MET H H 1 7.3288 0.05 . 1 . . . . . 252 MET H . 52917 1
34 . 1 . 1 28 28 MET N N 15 119.04 0.05 . 1 . . . . . 252 MET N . 52917 1
35 . 1 . 1 29 29 ILE H H 1 8.3277 0.05 . 1 . . . . . 253 ILE H . 52917 1
36 . 1 . 1 29 29 ILE N N 15 123.05 0.05 . 1 . . . . . 253 ILE N . 52917 1
37 . 1 . 1 31 31 ARG H H 1 7.884 0.05 . 1 . . . . . 255 ARG H . 52917 1
38 . 1 . 1 31 31 ARG N N 15 123.02 0.05 . 1 . . . . . 255 ARG N . 52917 1
39 . 1 . 1 32 32 THR H H 1 8.5011 0.05 . 1 . . . . . 256 THR H . 52917 1
40 . 1 . 1 32 32 THR N N 15 115.52 0.05 . 1 . . . . . 256 THR N . 52917 1
41 . 1 . 1 34 34 GLU H H 1 7.8146 0.05 . 1 . . . . . 258 GLU H . 52917 1
42 . 1 . 1 34 34 GLU N N 15 117.76 0.05 . 1 . . . . . 258 GLU N . 52917 1
43 . 1 . 1 35 35 VAL H H 1 8.0186 0.05 . 1 . . . . . 259 VAL H . 52917 1
44 . 1 . 1 35 35 VAL N N 15 117.94 0.05 . 1 . . . . . 259 VAL N . 52917 1
45 . 1 . 1 36 36 THR H H 1 8.0467 0.05 . 1 . . . . . 260 THR H . 52917 1
46 . 1 . 1 36 36 THR N N 15 119.64 0.05 . 1 . . . . . 260 THR N . 52917 1
47 . 1 . 1 37 37 CYS H H 1 10.145 0.05 . 1 . . . . . 261 CYS H . 52917 1
48 . 1 . 1 37 37 CYS N N 15 131.06 0.05 . 1 . . . . . 261 CYS N . 52917 1
49 . 1 . 1 38 38 VAL H H 1 9.6966 0.05 . 1 . . . . . 262 VAL H . 52917 1
50 . 1 . 1 38 38 VAL N N 15 127.31 0.05 . 1 . . . . . 262 VAL N . 52917 1
51 . 1 . 1 39 39 VAL H H 1 9.5128 0.05 . 1 . . . . . 263 VAL H . 52917 1
52 . 1 . 1 39 39 VAL N N 15 127.6 0.05 . 1 . . . . . 263 VAL N . 52917 1
53 . 1 . 1 40 40 VAL H H 1 9.0476 0.05 . 1 . . . . . 264 VAL H . 52917 1
54 . 1 . 1 40 40 VAL N N 15 119.56 0.05 . 1 . . . . . 264 VAL N . 52917 1
55 . 1 . 1 42 42 VAL H H 1 7.9665 0.05 . 1 . . . . . 266 VAL H . 52917 1
56 . 1 . 1 42 42 VAL N N 15 117.98 0.05 . 1 . . . . . 266 VAL N . 52917 1
57 . 1 . 1 43 43 SER H H 1 8.7911 0.05 . 1 . . . . . 267 SER H . 52917 1
58 . 1 . 1 43 43 SER N N 15 123.41 0.05 . 1 . . . . . 267 SER N . 52917 1
59 . 1 . 1 44 44 HIS H H 1 8.8687 0.05 . 1 . . . . . 268 HIS H . 52917 1
60 . 1 . 1 44 44 HIS N N 15 118.55 0.05 . 1 . . . . . 268 HIS N . 52917 1
61 . 1 . 1 45 45 GLU H H 1 8.3152 0.05 . 1 . . . . . 269 GLU H . 52917 1
62 . 1 . 1 45 45 GLU N N 15 117 0.05 . 1 . . . . . 269 GLU N . 52917 1
63 . 1 . 1 46 46 ASP H H 1 7.3427 0.05 . 1 . . . . . 270 ASP H . 52917 1
64 . 1 . 1 46 46 ASP N N 15 116.53 0.05 . 1 . . . . . 270 ASP N . 52917 1
65 . 1 . 1 48 48 GLU H H 1 7.7913 0.05 . 1 . . . . . 272 GLU H . 52917 1
66 . 1 . 1 48 48 GLU N N 15 119.27 0.05 . 1 . . . . . 272 GLU N . 52917 1
67 . 1 . 1 50 50 LYS H H 1 8.655 0.05 . 1 . . . . . 274 LYS H . 52917 1
68 . 1 . 1 50 50 LYS N N 15 126.46 0.05 . 1 . . . . . 274 LYS N . 52917 1
69 . 1 . 1 52 52 ASN H H 1 9.3434 0.05 . 1 . . . . . 276 ASN H . 52917 1
70 . 1 . 1 52 52 ASN N N 15 120.65 0.05 . 1 . . . . . 276 ASN N . 52917 1
71 . 1 . 1 53 53 TRP H H 1 8.9216 0.05 . 1 . . . . . 277 TRP H . 52917 1
72 . 1 . 1 53 53 TRP N N 15 123 0.05 . 1 . . . . . 277 TRP N . 52917 1
73 . 1 . 1 54 54 TYR H H 1 9.2569 0.05 . 1 . . . . . 278 TYR H . 52917 1
74 . 1 . 1 54 54 TYR N N 15 116.6 0.05 . 1 . . . . . 278 TYR N . 52917 1
75 . 1 . 1 55 55 VAL H H 1 8.3304 0.05 . 1 . . . . . 279 VAL H . 52917 1
76 . 1 . 1 55 55 VAL N N 15 121.95 0.05 . 1 . . . . . 279 VAL N . 52917 1
77 . 1 . 1 56 56 ASP H H 1 10 0.05 . 1 . . . . . 280 ASP H . 52917 1
78 . 1 . 1 56 56 ASP N N 15 131.65 0.05 . 1 . . . . . 280 ASP N . 52917 1
79 . 1 . 1 57 57 GLY H H 1 9.126 0.05 . 1 . . . . . 281 GLY H . 52917 1
80 . 1 . 1 57 57 GLY N N 15 102.24 0.05 . 1 . . . . . 281 GLY N . 52917 1
81 . 1 . 1 58 58 VAL H H 1 8.044 0.05 . 1 . . . . . 282 VAL H . 52917 1
82 . 1 . 1 58 58 VAL N N 15 124.1 0.05 . 1 . . . . . 282 VAL N . 52917 1
83 . 1 . 1 59 59 GLU H H 1 8.9679 0.05 . 1 . . . . . 283 GLU H . 52917 1
84 . 1 . 1 59 59 GLU N N 15 129.75 0.05 . 1 . . . . . 283 GLU N . 52917 1
85 . 1 . 1 60 60 VAL H H 1 8.2394 0.05 . 1 . . . . . 284 VAL H . 52917 1
86 . 1 . 1 60 60 VAL N N 15 119.04 0.05 . 1 . . . . . 284 VAL N . 52917 1
87 . 1 . 1 63 63 ALA H H 1 8.2216 0.05 . 1 . . . . . 287 ALA H . 52917 1
88 . 1 . 1 63 63 ALA N N 15 124.03 0.05 . 1 . . . . . 287 ALA N . 52917 1
89 . 1 . 1 64 64 LYS H H 1 8.6883 0.05 . 1 . . . . . 288 LYS H . 52917 1
90 . 1 . 1 64 64 LYS N N 15 121.36 0.05 . 1 . . . . . 288 LYS N . 52917 1
91 . 1 . 1 65 65 THR H H 1 8.7214 0.05 . 1 . . . . . 289 THR H . 52917 1
92 . 1 . 1 65 65 THR N N 15 122.3 0.05 . 1 . . . . . 289 THR N . 52917 1
93 . 1 . 1 66 66 LYS H H 1 8.9512 0.05 . 1 . . . . . 290 LYS H . 52917 1
94 . 1 . 1 66 66 LYS N N 15 129.48 0.05 . 1 . . . . . 290 LYS N . 52917 1
95 . 1 . 1 68 68 ARG H H 1 8.5579 0.05 . 1 . . . . . 292 ARG H . 52917 1
96 . 1 . 1 68 68 ARG N N 15 122.63 0.05 . 1 . . . . . 292 ARG N . 52917 1
97 . 1 . 1 69 69 GLU H H 1 8.9462 0.05 . 1 . . . . . 293 GLU H . 52917 1
98 . 1 . 1 69 69 GLU N N 15 121.94 0.05 . 1 . . . . . 293 GLU N . 52917 1
99 . 1 . 1 71 71 GLN H H 1 8.4837 0.05 . 1 . . . . . 295 GLN H . 52917 1
100 . 1 . 1 71 71 GLN N N 15 123.65 0.05 . 1 . . . . . 295 GLN N . 52917 1
101 . 1 . 1 72 72 TYR H H 1 8.994 0.05 . 1 . . . . . 296 TYR H . 52917 1
102 . 1 . 1 72 72 TYR N N 15 120.53 0.05 . 1 . . . . . 296 TYR N . 52917 1
103 . 1 . 1 73 73 ASN H H 1 7.1909 0.05 . 1 . . . . . 297 ASN H . 52917 1
104 . 1 . 1 73 73 ASN N N 15 115.09 0.05 . 1 . . . . . 297 ASN N . 52917 1
105 . 1 . 1 74 74 SER H H 1 7.9859 0.05 . 1 . . . . . 298 SER H . 52917 1
106 . 1 . 1 74 74 SER N N 15 108.87 0.05 . 1 . . . . . 298 SER N . 52917 1
107 . 1 . 1 75 75 THR H H 1 6.9326 0.05 . 1 . . . . . 299 THR H . 52917 1
108 . 1 . 1 75 75 THR N N 15 104.97 0.05 . 1 . . . . . 299 THR N . 52917 1
109 . 1 . 1 76 76 TYR H H 1 9.4307 0.05 . 1 . . . . . 300 TYR H . 52917 1
110 . 1 . 1 76 76 TYR N N 15 116.39 0.05 . 1 . . . . . 300 TYR N . 52917 1
111 . 1 . 1 77 77 ARG H H 1 8.7786 0.05 . 1 . . . . . 301 ARG H . 52917 1
112 . 1 . 1 77 77 ARG N N 15 122.46 0.05 . 1 . . . . . 301 ARG N . 52917 1
113 . 1 . 1 78 78 VAL H H 1 9.4526 0.05 . 1 . . . . . 302 VAL H . 52917 1
114 . 1 . 1 78 78 VAL N N 15 126.85 0.05 . 1 . . . . . 302 VAL N . 52917 1
115 . 1 . 1 79 79 VAL H H 1 8.4447 0.05 . 1 . . . . . 303 VAL H . 52917 1
116 . 1 . 1 79 79 VAL N N 15 127.26 0.05 . 1 . . . . . 303 VAL N . 52917 1
117 . 1 . 1 80 80 SER H H 1 9.0881 0.05 . 1 . . . . . 304 SER H . 52917 1
118 . 1 . 1 80 80 SER N N 15 120.8 0.05 . 1 . . . . . 304 SER N . 52917 1
119 . 1 . 1 81 81 VAL H H 1 8.7803 0.05 . 1 . . . . . 305 VAL H . 52917 1
120 . 1 . 1 81 81 VAL N N 15 126.26 0.05 . 1 . . . . . 305 VAL N . 52917 1
121 . 1 . 1 82 82 LEU H H 1 8.6074 0.05 . 1 . . . . . 306 LEU H . 52917 1
122 . 1 . 1 82 82 LEU N N 15 130.28 0.05 . 1 . . . . . 306 LEU N . 52917 1
123 . 1 . 1 83 83 THR H H 1 8.0302 0.05 . 1 . . . . . 307 THR H . 52917 1
124 . 1 . 1 83 83 THR N N 15 122.72 0.05 . 1 . . . . . 307 THR N . 52917 1
125 . 1 . 1 84 84 VAL H H 1 7.9529 0.05 . 1 . . . . . 308 VAL H . 52917 1
126 . 1 . 1 84 84 VAL N N 15 120.5 0.05 . 1 . . . . . 308 VAL N . 52917 1
127 . 1 . 1 85 85 LEU H H 1 8.4731 0.05 . 1 . . . . . 309 LEU H . 52917 1
128 . 1 . 1 85 85 LEU N N 15 122.34 0.05 . 1 . . . . . 309 LEU N . 52917 1
129 . 1 . 1 87 87 GLN H H 1 9.2123 0.05 . 1 . . . . . 311 GLN H . 52917 1
130 . 1 . 1 87 87 GLN N N 15 113.24 0.05 . 1 . . . . . 311 GLN N . 52917 1
131 . 1 . 1 88 88 ASP H H 1 7.0853 0.05 . 1 . . . . . 312 ASP H . 52917 1
132 . 1 . 1 88 88 ASP N N 15 119.87 0.05 . 1 . . . . . 312 ASP N . 52917 1
133 . 1 . 1 90 90 LEU H H 1 8.3617 0.05 . 1 . . . . . 314 LEU H . 52917 1
134 . 1 . 1 90 90 LEU N N 15 115.94 0.05 . 1 . . . . . 314 LEU N . 52917 1
135 . 1 . 1 91 91 ASN H H 1 8.0284 0.05 . 1 . . . . . 315 ASN H . 52917 1
136 . 1 . 1 91 91 ASN N N 15 116.05 0.05 . 1 . . . . . 315 ASN N . 52917 1
137 . 1 . 1 92 92 GLY H H 1 7.8054 0.05 . 1 . . . . . 316 GLY H . 52917 1
138 . 1 . 1 92 92 GLY N N 15 107.21 0.05 . 1 . . . . . 316 GLY N . 52917 1
139 . 1 . 1 93 93 LYS H H 1 7.4959 0.05 . 1 . . . . . 317 LYS H . 52917 1
140 . 1 . 1 93 93 LYS N N 15 118.58 0.05 . 1 . . . . . 317 LYS N . 52917 1
141 . 1 . 1 95 95 TYR H H 1 9.1939 0.05 . 1 . . . . . 319 TYR H . 52917 1
142 . 1 . 1 95 95 TYR N N 15 127.16 0.05 . 1 . . . . . 319 TYR N . 52917 1
143 . 1 . 1 96 96 LYS H H 1 9.3932 0.05 . 1 . . . . . 320 LYS H . 52917 1
144 . 1 . 1 96 96 LYS N N 15 123.89 0.05 . 1 . . . . . 320 LYS N . 52917 1
145 . 1 . 1 97 97 CYS H H 1 8.7654 0.05 . 1 . . . . . 321 CYS H . 52917 1
146 . 1 . 1 97 97 CYS N N 15 125.54 0.05 . 1 . . . . . 321 CYS N . 52917 1
147 . 1 . 1 98 98 LYS H H 1 9.1571 0.05 . 1 . . . . . 322 LYS H . 52917 1
148 . 1 . 1 98 98 LYS N N 15 128.64 0.05 . 1 . . . . . 322 LYS N . 52917 1
149 . 1 . 1 99 99 VAL H H 1 9.2728 0.05 . 1 . . . . . 323 VAL H . 52917 1
150 . 1 . 1 99 99 VAL N N 15 128.64 0.05 . 1 . . . . . 323 VAL N . 52917 1
151 . 1 . 1 100 100 SER H H 1 8.4472 0.05 . 1 . . . . . 324 SER H . 52917 1
152 . 1 . 1 100 100 SER N N 15 118.64 0.05 . 1 . . . . . 324 SER N . 52917 1
153 . 1 . 1 101 101 ASN H H 1 8.2183 0.05 . 1 . . . . . 325 ASN H . 52917 1
154 . 1 . 1 101 101 ASN N N 15 121.11 0.05 . 1 . . . . . 325 ASN N . 52917 1
155 . 1 . 1 103 103 ALA H H 1 7.8885 0.05 . 1 . . . . . 327 ALA H . 52917 1
156 . 1 . 1 103 103 ALA N N 15 118.96 0.05 . 1 . . . . . 327 ALA N . 52917 1
157 . 1 . 1 104 104 LEU H H 1 7.7356 0.05 . 1 . . . . . 328 LEU H . 52917 1
158 . 1 . 1 104 104 LEU N N 15 118.62 0.05 . 1 . . . . . 328 LEU N . 52917 1
159 . 1 . 1 106 106 ALA H H 1 7.362 0.05 . 1 . . . . . 330 ALA H . 52917 1
160 . 1 . 1 106 106 ALA N N 15 118.47 0.05 . 1 . . . . . 330 ALA N . 52917 1
161 . 1 . 1 108 108 ILE H H 1 8.3999 0.05 . 1 . . . . . 332 ILE H . 52917 1
162 . 1 . 1 108 108 ILE N N 15 121.7 0.05 . 1 . . . . . 332 ILE N . 52917 1
163 . 1 . 1 110 110 LYS H H 1 8.7557 0.05 . 1 . . . . . 334 LYS H . 52917 1
164 . 1 . 1 110 110 LYS N N 15 122.04 0.05 . 1 . . . . . 334 LYS N . 52917 1
165 . 1 . 1 111 111 THR H H 1 8.3263 0.05 . 1 . . . . . 335 THR H . 52917 1
166 . 1 . 1 111 111 THR N N 15 113.15 0.05 . 1 . . . . . 335 THR N . 52917 1
167 . 1 . 1 112 112 ILE H H 1 9.4529 0.05 . 1 . . . . . 336 ILE H . 52917 1
168 . 1 . 1 112 112 ILE N N 15 121.62 0.05 . 1 . . . . . 336 ILE N . 52917 1
169 . 1 . 1 113 113 SER H H 1 7.7657 0.05 . 1 . . . . . 337 SER H . 52917 1
170 . 1 . 1 113 113 SER N N 15 115.12 0.05 . 1 . . . . . 337 SER N . 52917 1
171 . 1 . 1 114 114 LYS H H 1 8.7626 0.05 . 1 . . . . . 338 LYS H . 52917 1
172 . 1 . 1 114 114 LYS N N 15 124.89 0.05 . 1 . . . . . 338 LYS N . 52917 1
173 . 1 . 1 115 115 ALA H H 1 8.7136 0.05 . 1 . . . . . 339 ALA H . 52917 1
174 . 1 . 1 115 115 ALA N N 15 129.04 0.05 . 1 . . . . . 339 ALA N . 52917 1
175 . 1 . 1 116 116 LYS H H 1 8.4491 0.05 . 1 . . . . . 340 LYS H . 52917 1
176 . 1 . 1 116 116 LYS N N 15 120.96 0.05 . 1 . . . . . 340 LYS N . 52917 1
177 . 1 . 1 117 117 GLY H H 1 8.547 0.05 . 1 . . . . . 341 GLY H . 52917 1
178 . 1 . 1 117 117 GLY N N 15 111.2 0.05 . 1 . . . . . 341 GLY N . 52917 1
179 . 1 . 1 118 118 GLN H H 1 8.2245 0.05 . 1 . . . . . 342 GLN H . 52917 1
180 . 1 . 1 118 118 GLN N N 15 122.43 0.05 . 1 . . . . . 342 GLN N . 52917 1
181 . 1 . 1 120 120 ARG H H 1 9.5064 0.05 . 1 . . . . . 344 ARG H . 52917 1
182 . 1 . 1 120 120 ARG N N 15 122.45 0.05 . 1 . . . . . 344 ARG N . 52917 1
183 . 1 . 1 121 121 GLU H H 1 8.7091 0.05 . 1 . . . . . 345 GLU H . 52917 1
184 . 1 . 1 121 121 GLU N N 15 124.23 0.05 . 1 . . . . . 345 GLU N . 52917 1
185 . 1 . 1 124 124 VAL H H 1 7.8905 0.05 . 1 . . . . . 348 VAL H . 52917 1
186 . 1 . 1 124 124 VAL N N 15 122.41 0.05 . 1 . . . . . 348 VAL N . 52917 1
187 . 1 . 1 125 125 TYR H H 1 9.4289 0.05 . 1 . . . . . 349 TYR H . 52917 1
188 . 1 . 1 125 125 TYR N N 15 124.96 0.05 . 1 . . . . . 349 TYR N . 52917 1
189 . 1 . 1 126 126 THR H H 1 8.7244 0.05 . 1 . . . . . 350 THR H . 52917 1
190 . 1 . 1 126 126 THR N N 15 112.32 0.05 . 1 . . . . . 350 THR N . 52917 1
191 . 1 . 1 130 130 SER H H 1 8.987 0.05 . 1 . . . . . 354 SER H . 52917 1
192 . 1 . 1 130 130 SER N N 15 117.66 0.05 . 1 . . . . . 354 SER N . 52917 1
193 . 1 . 1 131 131 ARG H H 1 9.1021 0.05 . 1 . . . . . 355 ARG H . 52917 1
194 . 1 . 1 131 131 ARG N N 15 128.32 0.05 . 1 . . . . . 355 ARG N . 52917 1
195 . 1 . 1 132 132 ASP H H 1 8.4369 0.05 . 1 . . . . . 356 ASP H . 52917 1
196 . 1 . 1 132 132 ASP N N 15 117.71 0.05 . 1 . . . . . 356 ASP N . 52917 1
197 . 1 . 1 134 134 LEU H H 1 7.2852 0.05 . 1 . . . . . 358 LEU H . 52917 1
198 . 1 . 1 134 134 LEU N N 15 114.41 0.05 . 1 . . . . . 358 LEU N . 52917 1
199 . 1 . 1 135 135 THR H H 1 7.0945 0.05 . 1 . . . . . 359 THR H . 52917 1
200 . 1 . 1 135 135 THR N N 15 106.94 0.05 . 1 . . . . . 359 THR N . 52917 1
201 . 1 . 1 136 136 LYS H H 1 7.979 0.05 . 1 . . . . . 360 LYS H . 52917 1
202 . 1 . 1 136 136 LYS N N 15 122.41 0.05 . 1 . . . . . 360 LYS N . 52917 1
203 . 1 . 1 138 138 GLN H H 1 7.5241 0.05 . 1 . . . . . 362 GLN H . 52917 1
204 . 1 . 1 138 138 GLN N N 15 118.25 0.05 . 1 . . . . . 362 GLN N . 52917 1
205 . 1 . 1 139 139 VAL H H 1 8.7487 0.05 . 1 . . . . . 363 VAL H . 52917 1
206 . 1 . 1 139 139 VAL N N 15 111.02 0.05 . 1 . . . . . 363 VAL N . 52917 1
207 . 1 . 1 140 140 SER H H 1 8.9359 0.05 . 1 . . . . . 364 SER H . 52917 1
208 . 1 . 1 140 140 SER N N 15 115 0.05 . 1 . . . . . 364 SER N . 52917 1
209 . 1 . 1 141 141 LEU H H 1 9.3718 0.05 . 1 . . . . . 365 LEU H . 52917 1
210 . 1 . 1 141 141 LEU N N 15 128.89 0.05 . 1 . . . . . 365 LEU N . 52917 1
211 . 1 . 1 142 142 THR H H 1 8.0128 0.05 . 1 . . . . . 366 THR H . 52917 1
212 . 1 . 1 142 142 THR N N 15 117.95 0.05 . 1 . . . . . 366 THR N . 52917 1
213 . 1 . 1 143 143 CYS H H 1 9.8449 0.05 . 1 . . . . . 367 CYS H . 52917 1
214 . 1 . 1 143 143 CYS N N 15 128.89 0.05 . 1 . . . . . 367 CYS N . 52917 1
215 . 1 . 1 144 144 LEU H H 1 9.5201 0.05 . 1 . . . . . 368 LEU H . 52917 1
216 . 1 . 1 144 144 LEU N N 15 131.46 0.05 . 1 . . . . . 368 LEU N . 52917 1
217 . 1 . 1 146 146 LYS H H 1 9.3931 0.05 . 1 . . . . . 370 LYS H . 52917 1
218 . 1 . 1 146 146 LYS N N 15 122.67 0.05 . 1 . . . . . 370 LYS N . 52917 1
219 . 1 . 1 147 147 GLY H H 1 8.3912 0.05 . 1 . . . . . 371 GLY H . 52917 1
220 . 1 . 1 147 147 GLY N N 15 111.1 0.05 . 1 . . . . . 371 GLY N . 52917 1
221 . 1 . 1 148 148 PHE H H 1 7.8545 0.05 . 1 . . . . . 372 PHE H . 52917 1
222 . 1 . 1 148 148 PHE N N 15 111.47 0.05 . 1 . . . . . 372 PHE N . 52917 1
223 . 1 . 1 149 149 TYR H H 1 8.4094 0.05 . 1 . . . . . 373 TYR H . 52917 1
224 . 1 . 1 149 149 TYR N N 15 119.98 0.05 . 1 . . . . . 373 TYR N . 52917 1
225 . 1 . 1 151 151 SER H H 1 8.3586 0.05 . 1 . . . . . 375 SER H . 52917 1
226 . 1 . 1 151 151 SER N N 15 112.05 0.05 . 1 . . . . . 375 SER N . 52917 1
227 . 1 . 1 152 152 ASP H H 1 6.8419 0.05 . 1 . . . . . 376 ASP H . 52917 1
228 . 1 . 1 152 152 ASP N N 15 120.69 0.05 . 1 . . . . . 376 ASP N . 52917 1
229 . 1 . 1 154 154 ALA H H 1 8.2274 0.05 . 1 . . . . . 378 ALA H . 52917 1
230 . 1 . 1 154 154 ALA N N 15 126.51 0.05 . 1 . . . . . 378 ALA N . 52917 1
231 . 1 . 1 156 156 GLU H H 1 8.9621 0.05 . 1 . . . . . 380 GLU H . 52917 1
232 . 1 . 1 156 156 GLU N N 15 125.87 0.05 . 1 . . . . . 380 GLU N . 52917 1
233 . 1 . 1 157 157 TRP H H 1 6.2292 0.05 . 1 . . . . . 381 TRP H . 52917 1
234 . 1 . 1 157 157 TRP N N 15 114.88 0.05 . 1 . . . . . 381 TRP N . 52917 1
235 . 1 . 1 158 158 GLU H H 1 9.1892 0.05 . 1 . . . . . 382 GLU H . 52917 1
236 . 1 . 1 158 158 GLU N N 15 118.54 0.05 . 1 . . . . . 382 GLU N . 52917 1
237 . 1 . 1 159 159 SER H H 1 9.0249 0.05 . 1 . . . . . 383 SER H . 52917 1
238 . 1 . 1 159 159 SER N N 15 113.17 0.05 . 1 . . . . . 383 SER N . 52917 1
239 . 1 . 1 160 160 ASN H H 1 9.5089 0.05 . 1 . . . . . 384 ASN H . 52917 1
240 . 1 . 1 160 160 ASN N N 15 126.58 0.05 . 1 . . . . . 384 ASN N . 52917 1
241 . 1 . 1 161 161 GLY H H 1 8.8178 0.05 . 1 . . . . . 385 GLY H . 52917 1
242 . 1 . 1 161 161 GLY N N 15 103.87 0.05 . 1 . . . . . 385 GLY N . 52917 1
243 . 1 . 1 162 162 GLN H H 1 8.0251 0.05 . 1 . . . . . 386 GLN H . 52917 1
244 . 1 . 1 162 162 GLN N N 15 119.95 0.05 . 1 . . . . . 386 GLN N . 52917 1
245 . 1 . 1 167 167 TYR H H 1 7.6396 0.05 . 1 . . . . . 391 TYR H . 52917 1
246 . 1 . 1 167 167 TYR N N 15 115.48 0.05 . 1 . . . . . 391 TYR N . 52917 1
247 . 1 . 1 168 168 LYS H H 1 8.575 0.05 . 1 . . . . . 392 LYS H . 52917 1
248 . 1 . 1 168 168 LYS N N 15 119.49 0.05 . 1 . . . . . 392 LYS N . 52917 1
249 . 1 . 1 169 169 THR H H 1 9.1707 0.05 . 1 . . . . . 393 THR H . 52917 1
250 . 1 . 1 169 169 THR N N 15 121.22 0.05 . 1 . . . . . 393 THR N . 52917 1
251 . 1 . 1 170 170 THR H H 1 9.6553 0.05 . 1 . . . . . 394 THR H . 52917 1
252 . 1 . 1 170 170 THR N N 15 118.33 0.05 . 1 . . . . . 394 THR N . 52917 1
253 . 1 . 1 173 173 VAL H H 1 9.3497 0.05 . 1 . . . . . 397 VAL H . 52917 1
254 . 1 . 1 173 173 VAL N N 15 126.49 0.05 . 1 . . . . . 397 VAL N . 52917 1
255 . 1 . 1 174 174 LEU H H 1 8.4339 0.05 . 1 . . . . . 398 LEU H . 52917 1
256 . 1 . 1 174 174 LEU N N 15 128.06 0.05 . 1 . . . . . 398 LEU N . 52917 1
257 . 1 . 1 175 175 ASP H H 1 9.6609 0.05 . 1 . . . . . 399 ASP H . 52917 1
258 . 1 . 1 175 175 ASP N N 15 128.93 0.05 . 1 . . . . . 399 ASP N . 52917 1
259 . 1 . 1 176 176 SER H H 1 9.8991 0.05 . 1 . . . . . 400 SER H . 52917 1
260 . 1 . 1 176 176 SER N N 15 116.41 0.05 . 1 . . . . . 400 SER N . 52917 1
261 . 1 . 1 177 177 ASP H H 1 7.6938 0.05 . 1 . . . . . 401 ASP H . 52917 1
262 . 1 . 1 177 177 ASP N N 15 117.72 0.05 . 1 . . . . . 401 ASP N . 52917 1
263 . 1 . 1 178 178 GLY H H 1 7.7805 0.05 . 1 . . . . . 402 GLY H . 52917 1
264 . 1 . 1 178 178 GLY N N 15 107.76 0.05 . 1 . . . . . 402 GLY N . 52917 1
265 . 1 . 1 179 179 SER H H 1 7.6321 0.05 . 1 . . . . . 403 SER H . 52917 1
266 . 1 . 1 179 179 SER N N 15 115.03 0.05 . 1 . . . . . 403 SER N . 52917 1
267 . 1 . 1 180 180 PHE H H 1 8.7876 0.05 . 1 . . . . . 404 PHE H . 52917 1
268 . 1 . 1 180 180 PHE N N 15 115.69 0.05 . 1 . . . . . 404 PHE N . 52917 1
269 . 1 . 1 181 181 PHE H H 1 8.8159 0.05 . 1 . . . . . 405 PHE H . 52917 1
270 . 1 . 1 181 181 PHE N N 15 111.8 0.05 . 1 . . . . . 405 PHE N . 52917 1
271 . 1 . 1 182 182 LEU H H 1 9.6596 0.05 . 1 . . . . . 406 LEU H . 52917 1
272 . 1 . 1 182 182 LEU N N 15 114.89 0.05 . 1 . . . . . 406 LEU N . 52917 1
273 . 1 . 1 183 183 TYR H H 1 8.1865 0.05 . 1 . . . . . 407 TYR H . 52917 1
274 . 1 . 1 183 183 TYR N N 15 115.89 0.05 . 1 . . . . . 407 TYR N . 52917 1
275 . 1 . 1 184 184 SER H H 1 9.4481 0.05 . 1 . . . . . 408 SER H . 52917 1
276 . 1 . 1 184 184 SER N N 15 114.59 0.05 . 1 . . . . . 408 SER N . 52917 1
277 . 1 . 1 185 185 LYS H H 1 9.5955 0.05 . 1 . . . . . 409 LYS H . 52917 1
278 . 1 . 1 185 185 LYS N N 15 131.37 0.05 . 1 . . . . . 409 LYS N . 52917 1
279 . 1 . 1 186 186 LEU H H 1 9.3303 0.05 . 1 . . . . . 410 LEU H . 52917 1
280 . 1 . 1 186 186 LEU N N 15 134.48 0.05 . 1 . . . . . 410 LEU N . 52917 1
281 . 1 . 1 188 188 VAL H H 1 8.5066 0.05 . 1 . . . . . 412 VAL H . 52917 1
282 . 1 . 1 188 188 VAL N N 15 119.71 0.05 . 1 . . . . . 412 VAL N . 52917 1
283 . 1 . 1 190 190 LYS H H 1 8.7793 0.05 . 1 . . . . . 414 LYS H . 52917 1
284 . 1 . 1 190 190 LYS N N 15 126.98 0.05 . 1 . . . . . 414 LYS N . 52917 1
285 . 1 . 1 191 191 SER H H 1 8.8686 0.05 . 1 . . . . . 415 SER H . 52917 1
286 . 1 . 1 191 191 SER N N 15 113.57 0.05 . 1 . . . . . 415 SER N . 52917 1
287 . 1 . 1 192 192 ARG H H 1 7.4989 0.05 . 1 . . . . . 416 ARG H . 52917 1
288 . 1 . 1 192 192 ARG N N 15 120.29 0.05 . 1 . . . . . 416 ARG N . 52917 1
289 . 1 . 1 193 193 TRP H H 1 7.5543 0.05 . 1 . . . . . 417 TRP H . 52917 1
290 . 1 . 1 193 193 TRP N N 15 119.56 0.05 . 1 . . . . . 417 TRP N . 52917 1
291 . 1 . 1 194 194 GLN H H 1 8.6046 0.05 . 1 . . . . . 418 GLN H . 52917 1
292 . 1 . 1 194 194 GLN N N 15 115.43 0.05 . 1 . . . . . 418 GLN N . 52917 1
293 . 1 . 1 195 195 GLN H H 1 7.7686 0.05 . 1 . . . . . 419 GLN H . 52917 1
294 . 1 . 1 195 195 GLN N N 15 115.87 0.05 . 1 . . . . . 419 GLN N . 52917 1
295 . 1 . 1 196 196 GLY H H 1 7.6401 0.05 . 1 . . . . . 420 GLY H . 52917 1
296 . 1 . 1 196 196 GLY N N 15 105.26 0.05 . 1 . . . . . 420 GLY N . 52917 1
297 . 1 . 1 197 197 ASN H H 1 6.9259 0.05 . 1 . . . . . 421 ASN H . 52917 1
298 . 1 . 1 197 197 ASN N N 15 116.24 0.05 . 1 . . . . . 421 ASN N . 52917 1
299 . 1 . 1 198 198 VAL H H 1 8.367 0.05 . 1 . . . . . 422 VAL H . 52917 1
300 . 1 . 1 198 198 VAL N N 15 121.26 0.05 . 1 . . . . . 422 VAL N . 52917 1
301 . 1 . 1 199 199 PHE H H 1 8.9442 0.05 . 1 . . . . . 423 PHE H . 52917 1
302 . 1 . 1 199 199 PHE N N 15 129.33 0.05 . 1 . . . . . 423 PHE N . 52917 1
303 . 1 . 1 200 200 SER H H 1 9.5876 0.05 . 1 . . . . . 424 SER H . 52917 1
304 . 1 . 1 200 200 SER N N 15 115.44 0.05 . 1 . . . . . 424 SER N . 52917 1
305 . 1 . 1 201 201 CYS H H 1 8.3443 0.05 . 1 . . . . . 425 CYS H . 52917 1
306 . 1 . 1 201 201 CYS N N 15 126.57 0.05 . 1 . . . . . 425 CYS N . 52917 1
307 . 1 . 1 202 202 SER H H 1 8.6195 0.05 . 1 . . . . . 426 SER H . 52917 1
308 . 1 . 1 202 202 SER N N 15 123.66 0.05 . 1 . . . . . 426 SER N . 52917 1
309 . 1 . 1 203 203 VAL H H 1 8.8844 0.05 . 1 . . . . . 427 VAL H . 52917 1
310 . 1 . 1 203 203 VAL N N 15 123.92 0.05 . 1 . . . . . 427 VAL N . 52917 1
311 . 1 . 1 204 204 MET H H 1 8.8123 0.05 . 1 . . . . . 428 MET H . 52917 1
312 . 1 . 1 204 204 MET N N 15 123.44 0.05 . 1 . . . . . 428 MET N . 52917 1
313 . 1 . 1 205 205 HIS H H 1 7.1956 0.05 . 1 . . . . . 429 HIS H . 52917 1
314 . 1 . 1 205 205 HIS N N 15 120.3 0.05 . 1 . . . . . 429 HIS N . 52917 1
315 . 1 . 1 207 207 ALA H H 1 10.545 0.05 . 1 . . . . . 431 ALA H . 52917 1
316 . 1 . 1 207 207 ALA N N 15 124.51 0.05 . 1 . . . . . 431 ALA N . 52917 1
317 . 1 . 1 208 208 LEU H H 1 7.3027 0.05 . 1 . . . . . 432 LEU H . 52917 1
318 . 1 . 1 208 208 LEU N N 15 116.8 0.05 . 1 . . . . . 432 LEU N . 52917 1
319 . 1 . 1 211 211 HIS H H 1 8.5408 0.05 . 1 . . . . . 435 HIS H . 52917 1
320 . 1 . 1 211 211 HIS N N 15 109.07 0.05 . 1 . . . . . 435 HIS N . 52917 1
321 . 1 . 1 212 212 TYR H H 1 7.4016 0.05 . 1 . . . . . 436 TYR H . 52917 1
322 . 1 . 1 212 212 TYR N N 15 118.69 0.05 . 1 . . . . . 436 TYR N . 52917 1
323 . 1 . 1 214 214 GLN H H 1 7.7414 0.05 . 1 . . . . . 438 GLN H . 52917 1
324 . 1 . 1 214 214 GLN N N 15 120.02 0.05 . 1 . . . . . 438 GLN N . 52917 1
325 . 1 . 1 215 215 LYS H H 1 8.5583 0.05 . 1 . . . . . 439 LYS H . 52917 1
326 . 1 . 1 215 215 LYS N N 15 123.46 0.05 . 1 . . . . . 439 LYS N . 52917 1
327 . 1 . 1 216 216 SER H H 1 8.7061 0.05 . 1 . . . . . 440 SER H . 52917 1
328 . 1 . 1 216 216 SER N N 15 118.78 0.05 . 1 . . . . . 440 SER N . 52917 1
329 . 1 . 1 217 217 LEU H H 1 9.5681 0.05 . 1 . . . . . 441 LEU H . 52917 1
330 . 1 . 1 217 217 LEU N N 15 124.41 0.05 . 1 . . . . . 441 LEU N . 52917 1
331 . 1 . 1 218 218 SER H H 1 8.4091 0.05 . 1 . . . . . 442 SER H . 52917 1
332 . 1 . 1 218 218 SER N N 15 116.04 0.05 . 1 . . . . . 442 SER N . 52917 1
333 . 1 . 1 220 220 SER H H 1 8.2513 0.05 . 1 . . . . . 444 SER H . 52917 1
334 . 1 . 1 220 220 SER N N 15 119.8 0.05 . 1 . . . . . 444 SER N . 52917 1
335 . 1 . 1 222 222 GLY H H 1 7.9604 0.05 . 1 . . . . . 446 GLY H . 52917 1
336 . 1 . 1 222 222 GLY N N 15 115.3 0.05 . 1 . . . . . 446 GLY N . 52917 1
337 . 1 . 1 224 224 GN1 H1 H 1 5.015 0.05 . 1 . . . . . 447 GN1 H1 . 52917 1
338 . 1 . 1 224 224 GN1 H3 H 1 3.8857 0.05 . 1 . . . . . 447 GN1 H3 . 52917 1
339 . 1 . 1 224 224 GN1 H4 H 1 3.9395 0.05 . 1 . . . . . 447 GN1 H4 . 52917 1
340 . 1 . 1 224 224 GN1 H8 H 1 2.0613 0.05 . 1 . . . . . 447 GN1 H8 . 52917 1
341 . 1 . 1 224 224 GN1 C1 C 13 79.044 0.05 . 1 . . . . . 447 GN1 C1 . 52917 1
342 . 1 . 1 224 224 GN1 C3 C 13 72.110 0.05 . 1 . . . . . 447 GN1 C3 . 52917 1
343 . 1 . 1 224 224 GN1 C4 C 13 82.071 0.05 . 1 . . . . . 447 GN1 C4 . 52917 1
344 . 1 . 1 224 224 GN1 C7 C 13 175.59 0.05 . 1 . . . . . 447 GN1 C7 . 52917 1
345 . 1 . 1 224 224 GN1 C8 C 13 22.187 0.05 . 1 . . . . . 447 GN1 C8 . 52917 1
346 . 1 . 1 225 225 GN2 H1 H 1 4.7412 0.05 . 1 . . . . . 448 GN2 H1 . 52917 1
347 . 1 . 1 225 225 GN2 H4 H 1 3.0351 0.05 . 1 . . . . . 448 GN2 H4 . 52917 1
348 . 1 . 1 225 225 GN2 H8 H 1 2.1619 0.05 . 1 . . . . . 448 GN2 H8 . 52917 1
349 . 1 . 1 225 225 GN2 C1 C 13 103.06 0.05 . 1 . . . . . 448 GN2 C1 . 52917 1
350 . 1 . 1 225 225 GN2 C4 C 13 83.438 0.05 . 1 . . . . . 448 GN2 C4 . 52917 1
351 . 1 . 1 225 225 GN2 C7 C 13 174.45 0.05 . 1 . . . . . 448 GN2 C7 . 52917 1
352 . 1 . 1 225 225 GN2 C8 C 13 22.764 0.05 . 1 . . . . . 448 GN2 C8 . 52917 1
353 . 1 . 1 225 225 GN2 N N 15 122.28 0.05 . 1 . . . . . 448 GN2 N . 52917 1
354 . 1 . 1 225 225 GN2 NH N 15 8.1106 0.05 . 1 . . . . . 448 GN2 NH . 52917 1
355 . 1 . 1 226 226 M3 H1 H 1 3.2942 0.05 . 1 . . . . . 449 M3 H1 . 52917 1
356 . 1 . 1 226 226 M3 H3 H 1 3.5337 0.05 . 1 . . . . . 449 M3 H3 . 52917 1
357 . 1 . 1 226 226 M3 H4 H 1 3.7146 0.05 . 1 . . . . . 449 M3 H4 . 52917 1
358 . 1 . 1 226 226 M3 H5 H 1 3.2013 0.05 . 1 . . . . . 449 M3 H5 . 52917 1
359 . 1 . 1 226 226 M3 C1 C 13 100.82 0.05 . 1 . . . . . 449 M3 C1 . 52917 1
360 . 1 . 1 226 226 M3 C3 C 13 80.313 0.05 . 1 . . . . . 449 M3 C3 . 52917 1
361 . 1 . 1 226 226 M3 C4 C 13 66.250 0.05 . 1 . . . . . 449 M3 C4 . 52917 1
362 . 1 . 1 226 226 M3 C5 C 13 75.430 0.05 . 1 . . . . . 449 M3 C5 . 52917 1
363 . 1 . 1 227 227 M4 H1 H 1 5.4061 0.05 . 1 . . . . . 450 M4 H1 . 52917 1
364 . 1 . 1 227 227 M4 H2 H 1 4.3941 0.05 . 1 . . . . . 450 M4 H2 . 52917 1
365 . 1 . 1 227 227 M4 H3 H 1 4.0666 0.05 . 1 . . . . . 450 M4 H3 . 52917 1
366 . 1 . 1 227 227 M4 H4 H 1 3.8515 0.05 . 1 . . . . . 450 M4 H4 . 52917 1
367 . 1 . 1 227 227 M4 H5 H 1 3.9835 0.05 . 1 . . . . . 450 M4 H5 . 52917 1
368 . 1 . 1 227 227 M4 C1 C 13 101.01 0.05 . 1 . . . . . 450 M4 C1 . 52917 1
369 . 1 . 1 227 227 M4 C2 C 13 78.458 0.05 . 1 . . . . . 450 M4 C2 . 52917 1
370 . 1 . 1 227 227 M4 C3 C 13 68.398 0.05 . 1 . . . . . 450 M4 C3 . 52917 1
371 . 1 . 1 227 227 M4 C4 C 13 67.52 0.05 . 1 . . . . . 450 M4 C4 . 52917 1
372 . 1 . 1 227 227 M4 C5 C 13 73.868 0.05 . 1 . . . . . 450 M4 C5 . 52917 1
373 . 1 . 1 228 228 GN5 H1 H 1 4.8781 0.05 . 1 . . . . . 451 GN5 H1 . 52917 1
374 . 1 . 1 228 228 GN5 H5 H 1 3.7146 0.05 . 1 . . . . . 451 GN5 H5 . 52917 1
375 . 1 . 1 228 228 GN5 H8 H 1 2.2062 0.05 . 1 . . . . . 451 GN5 H8 . 52917 1
376 . 1 . 1 228 228 GN5 C1 C 13 101.21 0.05 . 1 . . . . . 451 GN5 C1 . 52917 1
377 . 1 . 1 228 228 GN5 C5 C 13 76.407 0.05 . 1 . . . . . 451 GN5 C5 . 52917 1
378 . 1 . 1 228 228 GN5 C7 C 13 175.03 0.05 . 1 . . . . . 451 GN5 C7 . 52917 1
379 . 1 . 1 228 228 GN5 C8 C 13 23.156 0.05 . 1 . . . . . 451 GN5 C8 . 52917 1
380 . 1 . 1 228 228 GN5 N N 15 121.90 0.05 . 1 . . . . . 451 GN5 N . 52917 1
381 . 1 . 1 228 228 GN5 NH N 15 8.3206 0.05 . 1 . . . . . 451 GN5 NH . 52917 1
382 . 1 . 1 229 229 M4 H1 H 1 4.7999 0.05 . 1 . . . . . 453 M4 H1 . 52917 1
383 . 1 . 1 229 229 M4 H2 H 1 3.5777 0.05 . 1 . . . . . 453 M4 H2 . 52917 1
384 . 1 . 1 229 229 M4 H4 H 1 3.4751 0.05 . 1 . . . . . 453 M4 H4 . 52917 1
385 . 1 . 1 229 229 M4 H5 H 1 3.6022 0.05 . 1 . . . . . 453 M4 H5 . 52917 1
386 . 1 . 1 229 229 M4 C1 C 13 98.088 0.05 . 1 . . . . . 453 M4 C1 . 52917 1
387 . 1 . 1 229 229 M4 C2 C 13 76.114 0.05 . 1 . . . . . 453 M4 C2 . 52917 1
388 . 1 . 1 229 229 M4 C4 C 13 68.106 0.05 . 1 . . . . . 453 M4 C4 . 52917 1
389 . 1 . 1 229 229 M4 C5 C 13 72.891 0.05 . 1 . . . . . 453 M4 C5 . 52917 1
390 . 1 . 1 230 230 GN5 H1 H 1 3.5093 0.05 . 1 . . . . . 454 GN5 H1 . 52917 1
391 . 1 . 1 230 230 GN5 H3 H 1 3.2942 0.05 . 1 . . . . . 454 GN5 H3 . 52917 1
392 . 1 . 1 230 230 GN5 H4 H 1 3.4751 0.05 . 1 . . . . . 454 GN5 H4 . 52917 1
393 . 1 . 1 230 230 GN5 H5 H 1 2.2235 0.05 . 1 . . . . . 454 GN5 H5 . 52917 1
394 . 1 . 1 230 230 GN5 H8 H 1 2.1452 0.05 . 1 . . . . . 454 GN5 H8 . 52917 1
395 . 1 . 1 230 230 GN5 C1 C 13 99.455 0.05 . 1 . . . . . 454 GN5 C1 . 52917 1
396 . 1 . 1 230 230 GN5 C3 C 13 72.891 0.05 . 1 . . . . . 454 GN5 C3 . 52917 1
397 . 1 . 1 230 230 GN5 C4 C 13 68.106 0.05 . 1 . . . . . 454 GN5 C4 . 52917 1
398 . 1 . 1 230 230 GN5 C5 C 13 75.430 0.05 . 1 . . . . . 454 GN5 C5 . 52917 1
399 . 1 . 1 230 230 GN5 C7 C 13 175.04 0.05 . 1 . . . . . 454 GN5 C7 . 52917 1
400 . 1 . 1 230 230 GN5 C8 C 13 22.656 0.05 . 1 . . . . . 454 GN5 C8 . 52917 1
401 . 1 . 1 230 230 GN5 N N 15 121.03 0.05 . 1 . . . . . 454 GN5 N . 52917 1
402 . 1 . 1 230 230 GN5 NH N 15 8.0206 0.05 . 1 . . . . . 454 GN5 NH . 52917 1
403 . 1 . 1 231 231 FUC H1 H 1 5.0297 0.05 . 1 . . . . . 456 FUC H1 . 52917 1
404 . 1 . 1 231 231 FUC H2 H 1 3.959 0.05 . 1 . . . . . 456 FUC H2 . 52917 1
405 . 1 . 1 231 231 FUC H3 H 1 4.061 0.05 . 1 . . . . . 456 FUC H3 . 52917 1
406 . 1 . 1 231 231 FUC H4 H 1 3.879 0.05 . 1 . . . . . 456 FUC H4 . 52917 1
407 . 1 . 1 231 231 FUC H5 H 1 4.3306 0.05 . 1 . . . . . 456 FUC H5 . 52917 1
408 . 1 . 1 231 231 FUC C1 C 13 99.357 0.05 . 1 . . . . . 456 FUC C1 . 52917 1
409 . 1 . 1 231 231 FUC C2 C 13 68.496 0.05 . 1 . . . . . 456 FUC C2 . 52917 1
410 . 1 . 1 231 231 FUC C3 C 13 69.88 0.05 . 1 . . . . . 456 FUC C3 . 52917 1
411 . 1 . 1 231 231 FUC C4 C 13 72.04 0.05 . 1 . . . . . 456 FUC C4 . 52917 1
412 . 1 . 1 231 231 FUC C5 C 13 66.934 0.05 . 1 . . . . . 456 FUC C5 . 52917 1
stop_
save_