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 27302
_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 $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 '2D 1H-15N HSQC' . . . 27302 1
2 '2D 1H-13C HSQC' . . . 27302 1
3 '3D HNCACB' . . . 27302 1
4 '3D CBCA(CO)NH' . . . 27302 1
5 '3D HNCO' . . . 27302 1
6 '3D HN(CA)CO' . . . 27302 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 $CCPN_Analysis . . 27302 1
2 $TOPSPIN . . 27302 1
3 $NMRDraw . . 27302 1
4 $MddNMR . . 27302 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 4 4 THR C C 13 174.197 0.011 . 1 . . . . . 501 THR C . 27302 1
2 . 1 . 1 4 4 THR CA C 13 62.005 0.042 . 1 . . . . . 501 THR CA . 27302 1
3 . 1 . 1 4 4 THR CB C 13 69.855 0.043 . 1 . . . . . 501 THR CB . 27302 1
4 . 1 . 1 5 5 ARG H H 1 8.383 0.004 . 1 . . . . . 502 ARG H . 27302 1
5 . 1 . 1 5 5 ARG C C 13 174.040 0.000 . 1 . . . . . 502 ARG C . 27302 1
6 . 1 . 1 5 5 ARG CA C 13 54.025 0.031 . 1 . . . . . 502 ARG CA . 27302 1
7 . 1 . 1 5 5 ARG CB C 13 30.287 0.052 . 1 . . . . . 502 ARG CB . 27302 1
8 . 1 . 1 5 5 ARG N N 15 125.232 0.031 . 1 . . . . . 502 ARG N . 27302 1
9 . 1 . 1 7 7 LYS H H 1 8.488 0.000 . 1 . . . . . 504 LYS H . 27302 1
10 . 1 . 1 7 7 LYS C C 13 176.583 0.000 . 1 . . . . . 504 LYS C . 27302 1
11 . 1 . 1 7 7 LYS CA C 13 56.427 0.000 . 1 . . . . . 504 LYS CA . 27302 1
12 . 1 . 1 7 7 LYS CB C 13 33.080 0.000 . 1 . . . . . 504 LYS CB . 27302 1
13 . 1 . 1 7 7 LYS N N 15 122.004 0.000 . 1 . . . . . 504 LYS N . 27302 1
14 . 1 . 1 8 8 SER H H 1 8.355 0.004 . 1 . . . . . 505 SER H . 27302 1
15 . 1 . 1 8 8 SER C C 13 172.847 0.000 . 1 . . . . . 505 SER C . 27302 1
16 . 1 . 1 8 8 SER CA C 13 56.434 0.000 . 1 . . . . . 505 SER CA . 27302 1
17 . 1 . 1 8 8 SER CB C 13 63.682 0.000 . 1 . . . . . 505 SER CB . 27302 1
18 . 1 . 1 8 8 SER N N 15 118.183 0.099 . 1 . . . . . 505 SER N . 27302 1
19 . 1 . 1 9 9 PRO C C 13 176.285 0.044 . 1 . . . . . 506 PRO C . 27302 1
20 . 1 . 1 9 9 PRO CA C 13 63.342 0.000 . 1 . . . . . 506 PRO CA . 27302 1
21 . 1 . 1 9 9 PRO CB C 13 31.918 0.000 . 1 . . . . . 506 PRO CB . 27302 1
22 . 1 . 1 10 10 TRP H H 1 8.091 0.002 . 1 . . . . . 507 TRP H . 27302 1
23 . 1 . 1 10 10 TRP HE1 H 1 10.127 0.000 . 1 . . . . . 507 TRP HE1 . 27302 1
24 . 1 . 1 10 10 TRP C C 13 175.583 0.000 . 1 . . . . . 507 TRP C . 27302 1
25 . 1 . 1 10 10 TRP CA C 13 57.166 0.081 . 1 . . . . . 507 TRP CA . 27302 1
26 . 1 . 1 10 10 TRP CB C 13 29.807 0.038 . 1 . . . . . 507 TRP CB . 27302 1
27 . 1 . 1 10 10 TRP N N 15 120.947 0.028 . 1 . . . . . 507 TRP N . 27302 1
28 . 1 . 1 10 10 TRP NE1 N 15 129.586 0.012 . 1 . . . . . 507 TRP NE1 . 27302 1
29 . 1 . 1 11 11 MET H H 1 7.796 0.004 . 1 . . . . . 508 MET H . 27302 1
30 . 1 . 1 11 11 MET C C 13 172.536 0.000 . 1 . . . . . 508 MET C . 27302 1
31 . 1 . 1 11 11 MET CA C 13 57.035 0.000 . 1 . . . . . 508 MET CA . 27302 1
32 . 1 . 1 11 11 MET N N 15 123.265 0.061 . 1 . . . . . 508 MET N . 27302 1
33 . 1 . 1 15 15 THR C C 13 176.056 0.000 . 1 . . . . . 512 THR C . 27302 1
34 . 1 . 1 15 15 THR CA C 13 65.383 0.076 . 1 . . . . . 512 THR CA . 27302 1
35 . 1 . 1 15 15 THR CB C 13 68.588 0.000 . 1 . . . . . 512 THR CB . 27302 1
36 . 1 . 1 16 16 LEU H H 1 7.494 0.004 . 1 . . . . . 513 LEU H . 27302 1
37 . 1 . 1 16 16 LEU C C 13 178.249 0.011 . 1 . . . . . 513 LEU C . 27302 1
38 . 1 . 1 16 16 LEU CA C 13 58.155 0.111 . 1 . . . . . 513 LEU CA . 27302 1
39 . 1 . 1 16 16 LEU CB C 13 41.805 0.033 . 1 . . . . . 513 LEU CB . 27302 1
40 . 1 . 1 16 16 LEU N N 15 123.910 0.091 . 1 . . . . . 513 LEU N . 27302 1
41 . 1 . 1 17 17 PHE H H 1 8.477 0.004 . 1 . . . . . 514 PHE H . 27302 1
42 . 1 . 1 17 17 PHE C C 13 177.892 0.000 . 1 . . . . . 514 PHE C . 27302 1
43 . 1 . 1 17 17 PHE N N 15 116.963 0.016 . 1 . . . . . 514 PHE N . 27302 1
44 . 1 . 1 18 18 ALA H H 1 7.735 0.004 . 1 . . . . . 515 ALA H . 27302 1
45 . 1 . 1 18 18 ALA C C 13 179.711 0.001 . 1 . . . . . 515 ALA C . 27302 1
46 . 1 . 1 18 18 ALA CA C 13 54.975 0.055 . 1 . . . . . 515 ALA CA . 27302 1
47 . 1 . 1 18 18 ALA CB C 13 18.085 0.044 . 1 . . . . . 515 ALA CB . 27302 1
48 . 1 . 1 18 18 ALA N N 15 120.542 0.062 . 1 . . . . . 515 ALA N . 27302 1
49 . 1 . 1 19 19 ALA H H 1 7.608 0.005 . 1 . . . . . 516 ALA H . 27302 1
50 . 1 . 1 19 19 ALA C C 13 179.927 0.013 . 1 . . . . . 516 ALA C . 27302 1
51 . 1 . 1 19 19 ALA CA C 13 54.427 0.094 . 1 . . . . . 516 ALA CA . 27302 1
52 . 1 . 1 19 19 ALA CB C 13 19.315 0.091 . 1 . . . . . 516 ALA CB . 27302 1
53 . 1 . 1 19 19 ALA N N 15 119.056 0.060 . 1 . . . . . 516 ALA N . 27302 1
54 . 1 . 1 20 20 ILE H H 1 7.936 0.001 . 1 . . . . . 517 ILE H . 27302 1
55 . 1 . 1 20 20 ILE C C 13 177.747 0.002 . 1 . . . . . 517 ILE C . 27302 1
56 . 1 . 1 20 20 ILE CA C 13 62.575 0.014 . 1 . . . . . 517 ILE CA . 27302 1
57 . 1 . 1 20 20 ILE CB C 13 39.153 0.054 . 1 . . . . . 517 ILE CB . 27302 1
58 . 1 . 1 20 20 ILE N N 15 110.887 0.039 . 1 . . . . . 517 ILE N . 27302 1
59 . 1 . 1 21 21 SER H H 1 7.913 0.002 . 1 . . . . . 518 SER H . 27302 1
60 . 1 . 1 21 21 SER C C 13 174.786 0.000 . 1 . . . . . 518 SER C . 27302 1
61 . 1 . 1 21 21 SER CA C 13 62.037 0.088 . 1 . . . . . 518 SER CA . 27302 1
62 . 1 . 1 21 21 SER CB C 13 63.073 0.063 . 1 . . . . . 518 SER CB . 27302 1
63 . 1 . 1 21 21 SER N N 15 117.291 0.037 . 1 . . . . . 518 SER N . 27302 1
64 . 1 . 1 22 22 HIS CA C 13 57.225 0.077 . 1 . . . . . 519 HIS CA . 27302 1
65 . 1 . 1 22 22 HIS CB C 13 29.929 0.037 . 1 . . . . . 519 HIS CB . 27302 1
66 . 1 . 1 23 23 LYS H H 1 7.902 0.004 . 1 . . . . . 520 LYS H . 27302 1
67 . 1 . 1 23 23 LYS C C 13 175.582 0.006 . 1 . . . . . 520 LYS C . 27302 1
68 . 1 . 1 23 23 LYS CA C 13 55.601 0.049 . 1 . . . . . 520 LYS CA . 27302 1
69 . 1 . 1 23 23 LYS CB C 13 34.675 0.089 . 1 . . . . . 520 LYS CB . 27302 1
70 . 1 . 1 23 23 LYS N N 15 118.337 0.062 . 1 . . . . . 520 LYS N . 27302 1
71 . 1 . 1 24 24 VAL H H 1 7.253 0.005 . 1 . . . . . 521 VAL H . 27302 1
72 . 1 . 1 24 24 VAL C C 13 174.821 0.021 . 1 . . . . . 521 VAL C . 27302 1
73 . 1 . 1 24 24 VAL CA C 13 60.456 0.078 . 1 . . . . . 521 VAL CA . 27302 1
74 . 1 . 1 24 24 VAL CB C 13 34.180 0.027 . 1 . . . . . 521 VAL CB . 27302 1
75 . 1 . 1 24 24 VAL N N 15 116.713 0.046 . 1 . . . . . 521 VAL N . 27302 1
76 . 1 . 1 25 25 ALA H H 1 8.936 0.004 . 1 . . . . . 522 ALA H . 27302 1
77 . 1 . 1 25 25 ALA C C 13 178.973 0.001 . 1 . . . . . 522 ALA C . 27302 1
78 . 1 . 1 25 25 ALA CA C 13 52.193 0.037 . 1 . . . . . 522 ALA CA . 27302 1
79 . 1 . 1 25 25 ALA CB C 13 19.373 0.076 . 1 . . . . . 522 ALA CB . 27302 1
80 . 1 . 1 25 25 ALA N N 15 127.528 0.032 . 1 . . . . . 522 ALA N . 27302 1
81 . 1 . 1 26 26 GLU H H 1 8.985 0.002 . 1 . . . . . 523 GLU H . 27302 1
82 . 1 . 1 26 26 GLU C C 13 179.026 0.000 . 1 . . . . . 523 GLU C . 27302 1
83 . 1 . 1 26 26 GLU CA C 13 60.501 0.119 . 1 . . . . . 523 GLU CA . 27302 1
84 . 1 . 1 26 26 GLU CB C 13 29.645 0.002 . 1 . . . . . 523 GLU CB . 27302 1
85 . 1 . 1 26 26 GLU N N 15 122.990 0.046 . 1 . . . . . 523 GLU N . 27302 1
86 . 1 . 1 27 27 ASN H H 1 8.949 0.004 . 1 . . . . . 524 ASN H . 27302 1
87 . 1 . 1 27 27 ASN C C 13 177.598 0.021 . 1 . . . . . 524 ASN C . 27302 1
88 . 1 . 1 27 27 ASN CA C 13 56.463 0.133 . 1 . . . . . 524 ASN CA . 27302 1
89 . 1 . 1 27 27 ASN CB C 13 37.731 0.067 . 1 . . . . . 524 ASN CB . 27302 1
90 . 1 . 1 27 27 ASN N N 15 115.139 0.015 . 1 . . . . . 524 ASN N . 27302 1
91 . 1 . 1 28 28 ASP H H 1 7.071 0.004 . 1 . . . . . 525 ASP H . 27302 1
92 . 1 . 1 28 28 ASP C C 13 178.183 0.006 . 1 . . . . . 525 ASP C . 27302 1
93 . 1 . 1 28 28 ASP CA C 13 57.174 0.070 . 1 . . . . . 525 ASP CA . 27302 1
94 . 1 . 1 28 28 ASP CB C 13 40.626 0.048 . 1 . . . . . 525 ASP CB . 27302 1
95 . 1 . 1 28 28 ASP N N 15 119.850 0.030 . 1 . . . . . 525 ASP N . 27302 1
96 . 1 . 1 29 29 MET H H 1 7.976 0.006 . 1 . . . . . 526 MET H . 27302 1
97 . 1 . 1 29 29 MET C C 13 178.981 0.005 . 1 . . . . . 526 MET C . 27302 1
98 . 1 . 1 29 29 MET CA C 13 56.580 0.053 . 1 . . . . . 526 MET CA . 27302 1
99 . 1 . 1 29 29 MET CB C 13 30.432 0.065 . 1 . . . . . 526 MET CB . 27302 1
100 . 1 . 1 29 29 MET N N 15 119.656 0.034 . 1 . . . . . 526 MET N . 27302 1
101 . 1 . 1 30 30 LEU H H 1 7.808 0.005 . 1 . . . . . 527 LEU H . 27302 1
102 . 1 . 1 30 30 LEU C C 13 180.562 0.026 . 1 . . . . . 527 LEU C . 27302 1
103 . 1 . 1 30 30 LEU CA C 13 58.323 0.052 . 1 . . . . . 527 LEU CA . 27302 1
104 . 1 . 1 30 30 LEU CB C 13 41.591 0.046 . 1 . . . . . 527 LEU CB . 27302 1
105 . 1 . 1 30 30 LEU N N 15 119.199 0.044 . 1 . . . . . 527 LEU N . 27302 1
106 . 1 . 1 31 31 LEU H H 1 7.356 0.003 . 1 . . . . . 528 LEU H . 27302 1
107 . 1 . 1 31 31 LEU C C 13 179.422 0.021 . 1 . . . . . 528 LEU C . 27302 1
108 . 1 . 1 31 31 LEU CA C 13 58.049 0.093 . 1 . . . . . 528 LEU CA . 27302 1
109 . 1 . 1 31 31 LEU CB C 13 41.622 0.032 . 1 . . . . . 528 LEU CB . 27302 1
110 . 1 . 1 31 31 LEU N N 15 120.906 0.017 . 1 . . . . . 528 LEU N . 27302 1
111 . 1 . 1 32 32 ILE H H 1 8.087 0.003 . 1 . . . . . 529 ILE H . 27302 1
112 . 1 . 1 32 32 ILE C C 13 178.353 0.006 . 1 . . . . . 529 ILE C . 27302 1
113 . 1 . 1 32 32 ILE CA C 13 65.203 0.055 . 1 . . . . . 529 ILE CA . 27302 1
114 . 1 . 1 32 32 ILE CB C 13 38.376 0.037 . 1 . . . . . 529 ILE CB . 27302 1
115 . 1 . 1 32 32 ILE N N 15 120.652 0.038 . 1 . . . . . 529 ILE N . 27302 1
116 . 1 . 1 33 33 ASN H H 1 8.525 0.004 . 1 . . . . . 530 ASN H . 27302 1
117 . 1 . 1 33 33 ASN C C 13 178.043 0.033 . 1 . . . . . 530 ASN C . 27302 1
118 . 1 . 1 33 33 ASN CA C 13 56.503 0.097 . 1 . . . . . 530 ASN CA . 27302 1
119 . 1 . 1 33 33 ASN CB C 13 38.663 0.062 . 1 . . . . . 530 ASN CB . 27302 1
120 . 1 . 1 33 33 ASN N N 15 117.753 0.045 . 1 . . . . . 530 ASN N . 27302 1
121 . 1 . 1 34 34 ALA H H 1 7.916 0.003 . 1 . . . . . 531 ALA H . 27302 1
122 . 1 . 1 34 34 ALA C C 13 181.026 0.005 . 1 . . . . . 531 ALA C . 27302 1
123 . 1 . 1 34 34 ALA CA C 13 55.367 0.062 . 1 . . . . . 531 ALA CA . 27302 1
124 . 1 . 1 34 34 ALA CB C 13 18.027 0.070 . 1 . . . . . 531 ALA CB . 27302 1
125 . 1 . 1 34 34 ALA N N 15 123.472 0.051 . 1 . . . . . 531 ALA N . 27302 1
126 . 1 . 1 35 35 ASP H H 1 8.193 0.005 . 1 . . . . . 532 ASP H . 27302 1
127 . 1 . 1 35 35 ASP C C 13 177.984 0.015 . 1 . . . . . 532 ASP C . 27302 1
128 . 1 . 1 35 35 ASP CA C 13 57.729 0.122 . 1 . . . . . 532 ASP CA . 27302 1
129 . 1 . 1 35 35 ASP CB C 13 39.535 0.081 . 1 . . . . . 532 ASP CB . 27302 1
130 . 1 . 1 35 35 ASP N N 15 121.263 0.035 . 1 . . . . . 532 ASP N . 27302 1
131 . 1 . 1 36 36 TYR H H 1 9.240 0.004 . 1 . . . . . 533 TYR H . 27302 1
132 . 1 . 1 36 36 TYR C C 13 177.465 0.016 . 1 . . . . . 533 TYR C . 27302 1
133 . 1 . 1 36 36 TYR CA C 13 60.749 0.056 . 1 . . . . . 533 TYR CA . 27302 1
134 . 1 . 1 36 36 TYR CB C 13 37.959 0.026 . 1 . . . . . 533 TYR CB . 27302 1
135 . 1 . 1 36 36 TYR N N 15 122.106 0.033 . 1 . . . . . 533 TYR N . 27302 1
136 . 1 . 1 37 37 GLN H H 1 8.073 0.004 . 1 . . . . . 534 GLN H . 27302 1
137 . 1 . 1 37 37 GLN C C 13 178.092 0.013 . 1 . . . . . 534 GLN C . 27302 1
138 . 1 . 1 37 37 GLN CA C 13 58.685 0.030 . 1 . . . . . 534 GLN CA . 27302 1
139 . 1 . 1 37 37 GLN CB C 13 27.709 0.096 . 1 . . . . . 534 GLN CB . 27302 1
140 . 1 . 1 37 37 GLN N N 15 118.276 0.023 . 1 . . . . . 534 GLN N . 27302 1
141 . 1 . 1 38 38 GLN H H 1 7.413 0.004 . 1 . . . . . 535 GLN H . 27302 1
142 . 1 . 1 38 38 GLN C C 13 178.686 0.018 . 1 . . . . . 535 GLN C . 27302 1
143 . 1 . 1 38 38 GLN CA C 13 59.488 0.073 . 1 . . . . . 535 GLN CA . 27302 1
144 . 1 . 1 38 38 GLN CB C 13 28.965 0.084 . 1 . . . . . 535 GLN CB . 27302 1
145 . 1 . 1 38 38 GLN N N 15 116.902 0.037 . 1 . . . . . 535 GLN N . 27302 1
146 . 1 . 1 39 39 LEU H H 1 8.109 0.005 . 1 . . . . . 536 LEU H . 27302 1
147 . 1 . 1 39 39 LEU C C 13 180.845 0.017 . 1 . . . . . 536 LEU C . 27302 1
148 . 1 . 1 39 39 LEU CA C 13 58.370 0.014 . 1 . . . . . 536 LEU CA . 27302 1
149 . 1 . 1 39 39 LEU CB C 13 41.240 0.043 . 1 . . . . . 536 LEU CB . 27302 1
150 . 1 . 1 39 39 LEU N N 15 122.728 0.045 . 1 . . . . . 536 LEU N . 27302 1
151 . 1 . 1 40 40 ARG H H 1 8.369 0.004 . 1 . . . . . 537 ARG H . 27302 1
152 . 1 . 1 40 40 ARG C C 13 177.804 0.022 . 1 . . . . . 537 ARG C . 27302 1
153 . 1 . 1 40 40 ARG CA C 13 59.332 0.053 . 1 . . . . . 537 ARG CA . 27302 1
154 . 1 . 1 40 40 ARG CB C 13 29.410 0.031 . 1 . . . . . 537 ARG CB . 27302 1
155 . 1 . 1 40 40 ARG N N 15 122.031 0.041 . 1 . . . . . 537 ARG N . 27302 1
156 . 1 . 1 41 41 ASP H H 1 7.749 0.003 . 1 . . . . . 538 ASP H . 27302 1
157 . 1 . 1 41 41 ASP C C 13 174.931 0.008 . 1 . . . . . 538 ASP C . 27302 1
158 . 1 . 1 41 41 ASP CA C 13 54.586 0.073 . 1 . . . . . 538 ASP CA . 27302 1
159 . 1 . 1 41 41 ASP CB C 13 40.930 0.069 . 1 . . . . . 538 ASP CB . 27302 1
160 . 1 . 1 41 41 ASP N N 15 117.593 0.048 . 1 . . . . . 538 ASP N . 27302 1
161 . 1 . 1 42 42 LYS H H 1 8.112 0.004 . 1 . . . . . 539 LYS H . 27302 1
162 . 1 . 1 42 42 LYS C C 13 176.467 0.011 . 1 . . . . . 539 LYS C . 27302 1
163 . 1 . 1 42 42 LYS CA C 13 57.762 0.100 . 1 . . . . . 539 LYS CA . 27302 1
164 . 1 . 1 42 42 LYS CB C 13 28.473 0.005 . 1 . . . . . 539 LYS CB . 27302 1
165 . 1 . 1 42 42 LYS N N 15 114.200 0.040 . 1 . . . . . 539 LYS N . 27302 1
166 . 1 . 1 43 43 LYS H H 1 8.555 0.003 . 1 . . . . . 540 LYS H . 27302 1
167 . 1 . 1 43 43 LYS C C 13 175.694 0.000 . 1 . . . . . 540 LYS C . 27302 1
168 . 1 . 1 43 43 LYS CA C 13 55.972 0.121 . 1 . . . . . 540 LYS CA . 27302 1
169 . 1 . 1 43 43 LYS CB C 13 33.433 0.051 . 1 . . . . . 540 LYS CB . 27302 1
170 . 1 . 1 43 43 LYS N N 15 116.802 0.046 . 1 . . . . . 540 LYS N . 27302 1
171 . 1 . 1 44 44 MET H H 1 7.323 0.005 . 1 . . . . . 541 MET H . 27302 1
172 . 1 . 1 44 44 MET C C 13 174.569 0.029 . 1 . . . . . 541 MET C . 27302 1
173 . 1 . 1 44 44 MET CA C 13 54.397 0.049 . 1 . . . . . 541 MET CA . 27302 1
174 . 1 . 1 44 44 MET CB C 13 37.376 0.065 . 1 . . . . . 541 MET CB . 27302 1
175 . 1 . 1 44 44 MET N N 15 117.510 0.028 . 1 . . . . . 541 MET N . 27302 1
176 . 1 . 1 45 45 THR H H 1 8.676 0.003 . 1 . . . . . 542 THR H . 27302 1
177 . 1 . 1 45 45 THR C C 13 175.590 0.010 . 1 . . . . . 542 THR C . 27302 1
178 . 1 . 1 45 45 THR CA C 13 60.907 0.057 . 1 . . . . . 542 THR CA . 27302 1
179 . 1 . 1 45 45 THR CB C 13 71.317 0.045 . 1 . . . . . 542 THR CB . 27302 1
180 . 1 . 1 45 45 THR N N 15 113.812 0.032 . 1 . . . . . 542 THR N . 27302 1
181 . 1 . 1 46 46 ARG H H 1 9.058 0.003 . 1 . . . . . 543 ARG H . 27302 1
182 . 1 . 1 46 46 ARG C C 13 177.844 0.024 . 1 . . . . . 543 ARG C . 27302 1
183 . 1 . 1 46 46 ARG CA C 13 60.741 0.010 . 1 . . . . . 543 ARG CA . 27302 1
184 . 1 . 1 46 46 ARG CB C 13 29.885 0.000 . 1 . . . . . 543 ARG CB . 27302 1
185 . 1 . 1 46 46 ARG N N 15 122.362 0.028 . 1 . . . . . 543 ARG N . 27302 1
186 . 1 . 1 47 47 ALA H H 1 8.473 0.002 . 1 . . . . . 544 ALA H . 27302 1
187 . 1 . 1 47 47 ALA C C 13 180.943 0.013 . 1 . . . . . 544 ALA C . 27302 1
188 . 1 . 1 47 47 ALA CA C 13 55.229 0.053 . 1 . . . . . 544 ALA CA . 27302 1
189 . 1 . 1 47 47 ALA CB C 13 18.319 0.046 . 1 . . . . . 544 ALA CB . 27302 1
190 . 1 . 1 47 47 ALA N N 15 119.277 0.056 . 1 . . . . . 544 ALA N . 27302 1
191 . 1 . 1 48 48 GLU H H 1 7.846 0.003 . 1 . . . . . 545 GLU H . 27302 1
192 . 1 . 1 48 48 GLU C C 13 177.959 0.018 . 1 . . . . . 545 GLU C . 27302 1
193 . 1 . 1 48 48 GLU CA C 13 58.727 0.059 . 1 . . . . . 545 GLU CA . 27302 1
194 . 1 . 1 48 48 GLU CB C 13 29.706 0.046 . 1 . . . . . 545 GLU CB . 27302 1
195 . 1 . 1 48 48 GLU N N 15 119.841 0.020 . 1 . . . . . 545 GLU N . 27302 1
196 . 1 . 1 49 49 PHE H H 1 8.421 0.003 . 1 . . . . . 546 PHE H . 27302 1
197 . 1 . 1 49 49 PHE C C 13 176.755 0.019 . 1 . . . . . 546 PHE C . 27302 1
198 . 1 . 1 49 49 PHE CA C 13 62.587 0.055 . 1 . . . . . 546 PHE CA . 27302 1
199 . 1 . 1 49 49 PHE CB C 13 39.852 0.033 . 1 . . . . . 546 PHE CB . 27302 1
200 . 1 . 1 49 49 PHE N N 15 120.928 0.041 . 1 . . . . . 546 PHE N . 27302 1
201 . 1 . 1 50 50 VAL H H 1 8.675 0.005 . 1 . . . . . 547 VAL H . 27302 1
202 . 1 . 1 50 50 VAL C C 13 177.289 0.006 . 1 . . . . . 547 VAL C . 27302 1
203 . 1 . 1 50 50 VAL CA C 13 67.106 0.070 . 1 . . . . . 547 VAL CA . 27302 1
204 . 1 . 1 50 50 VAL CB C 13 31.656 0.076 . 1 . . . . . 547 VAL CB . 27302 1
205 . 1 . 1 50 50 VAL N N 15 118.122 0.061 . 1 . . . . . 547 VAL N . 27302 1
206 . 1 . 1 51 51 ARG H H 1 7.709 0.004 . 1 . . . . . 548 ARG H . 27302 1
207 . 1 . 1 51 51 ARG C C 13 179.218 0.020 . 1 . . . . . 548 ARG C . 27302 1
208 . 1 . 1 51 51 ARG CA C 13 60.210 0.064 . 1 . . . . . 548 ARG CA . 27302 1
209 . 1 . 1 51 51 ARG CB C 13 30.126 0.065 . 1 . . . . . 548 ARG CB . 27302 1
210 . 1 . 1 51 51 ARG N N 15 119.825 0.018 . 1 . . . . . 548 ARG N . 27302 1
211 . 1 . 1 52 52 LYS H H 1 7.909 0.003 . 1 . . . . . 549 LYS H . 27302 1
212 . 1 . 1 52 52 LYS C C 13 178.985 0.001 . 1 . . . . . 549 LYS C . 27302 1
213 . 1 . 1 52 52 LYS CA C 13 59.696 0.004 . 1 . . . . . 549 LYS CA . 27302 1
214 . 1 . 1 52 52 LYS CB C 13 32.091 0.075 . 1 . . . . . 549 LYS CB . 27302 1
215 . 1 . 1 52 52 LYS N N 15 119.034 0.037 . 1 . . . . . 549 LYS N . 27302 1
216 . 1 . 1 53 53 LEU H H 1 8.394 0.002 . 1 . . . . . 550 LEU H . 27302 1
217 . 1 . 1 53 53 LEU C C 13 178.780 0.011 . 1 . . . . . 550 LEU C . 27302 1
218 . 1 . 1 53 53 LEU CA C 13 57.828 0.034 . 1 . . . . . 550 LEU CA . 27302 1
219 . 1 . 1 53 53 LEU CB C 13 42.225 0.049 . 1 . . . . . 550 LEU CB . 27302 1
220 . 1 . 1 53 53 LEU N N 15 121.555 0.027 . 1 . . . . . 550 LEU N . 27302 1
221 . 1 . 1 54 54 ARG H H 1 8.243 0.003 . 1 . . . . . 551 ARG H . 27302 1
222 . 1 . 1 54 54 ARG C C 13 179.107 0.012 . 1 . . . . . 551 ARG C . 27302 1
223 . 1 . 1 54 54 ARG CA C 13 59.947 0.080 . 1 . . . . . 551 ARG CA . 27302 1
224 . 1 . 1 54 54 ARG CB C 13 30.436 0.080 . 1 . . . . . 551 ARG CB . 27302 1
225 . 1 . 1 54 54 ARG N N 15 117.629 0.031 . 1 . . . . . 551 ARG N . 27302 1
226 . 1 . 1 55 55 VAL H H 1 7.424 0.005 . 1 . . . . . 552 VAL H . 27302 1
227 . 1 . 1 55 55 VAL C C 13 177.686 0.022 . 1 . . . . . 552 VAL C . 27302 1
228 . 1 . 1 55 55 VAL CA C 13 66.044 0.003 . 1 . . . . . 552 VAL CA . 27302 1
229 . 1 . 1 55 55 VAL CB C 13 31.931 0.040 . 1 . . . . . 552 VAL CB . 27302 1
230 . 1 . 1 55 55 VAL N N 15 118.445 0.033 . 1 . . . . . 552 VAL N . 27302 1
231 . 1 . 1 56 56 ILE H H 1 7.591 0.005 . 1 . . . . . 553 ILE H . 27302 1
232 . 1 . 1 56 56 ILE C C 13 177.680 0.000 . 1 . . . . . 553 ILE C . 27302 1
233 . 1 . 1 56 56 ILE CA C 13 64.687 0.018 . 1 . . . . . 553 ILE CA . 27302 1
234 . 1 . 1 56 56 ILE CB C 13 39.236 0.018 . 1 . . . . . 553 ILE CB . 27302 1
235 . 1 . 1 56 56 ILE N N 15 118.693 0.089 . 1 . . . . . 553 ILE N . 27302 1
236 . 1 . 1 57 57 VAL H H 1 8.411 0.003 . 1 . . . . . 554 VAL H . 27302 1
237 . 1 . 1 57 57 VAL C C 13 176.566 0.015 . 1 . . . . . 554 VAL C . 27302 1
238 . 1 . 1 57 57 VAL CA C 13 63.364 0.076 . 1 . . . . . 554 VAL CA . 27302 1
239 . 1 . 1 57 57 VAL CB C 13 32.950 0.066 . 1 . . . . . 554 VAL CB . 27302 1
240 . 1 . 1 57 57 VAL N N 15 113.477 0.042 . 1 . . . . . 554 VAL N . 27302 1
241 . 1 . 1 58 58 GLY H H 1 7.652 0.004 . 1 . . . . . 555 GLY H . 27302 1
242 . 1 . 1 58 58 GLY C C 13 173.718 0.003 . 1 . . . . . 555 GLY C . 27302 1
243 . 1 . 1 58 58 GLY CA C 13 44.590 0.044 . 1 . . . . . 555 GLY CA . 27302 1
244 . 1 . 1 58 58 GLY N N 15 109.642 0.022 . 1 . . . . . 555 GLY N . 27302 1
245 . 1 . 1 59 59 ASP H H 1 8.369 0.003 . 1 . . . . . 556 ASP H . 27302 1
246 . 1 . 1 59 59 ASP C C 13 178.206 0.012 . 1 . . . . . 556 ASP C . 27302 1
247 . 1 . 1 59 59 ASP CA C 13 57.837 0.006 . 1 . . . . . 556 ASP CA . 27302 1
248 . 1 . 1 59 59 ASP CB C 13 41.621 0.033 . 1 . . . . . 556 ASP CB . 27302 1
249 . 1 . 1 59 59 ASP N N 15 120.638 0.033 . 1 . . . . . 556 ASP N . 27302 1
250 . 1 . 1 60 60 ASP H H 1 8.494 0.002 . 1 . . . . . 557 ASP H . 27302 1
251 . 1 . 1 60 60 ASP C C 13 178.745 0.010 . 1 . . . . . 557 ASP C . 27302 1
252 . 1 . 1 60 60 ASP CA C 13 57.842 0.069 . 1 . . . . . 557 ASP CA . 27302 1
253 . 1 . 1 60 60 ASP CB C 13 40.331 0.021 . 1 . . . . . 557 ASP CB . 27302 1
254 . 1 . 1 60 60 ASP N N 15 118.588 0.024 . 1 . . . . . 557 ASP N . 27302 1
255 . 1 . 1 61 61 LEU H H 1 8.402 0.002 . 1 . . . . . 558 LEU H . 27302 1
256 . 1 . 1 61 61 LEU C C 13 180.053 0.016 . 1 . . . . . 558 LEU C . 27302 1
257 . 1 . 1 61 61 LEU CA C 13 57.040 0.052 . 1 . . . . . 558 LEU CA . 27302 1
258 . 1 . 1 61 61 LEU CB C 13 41.329 0.108 . 1 . . . . . 558 LEU CB . 27302 1
259 . 1 . 1 61 61 LEU N N 15 121.513 0.015 . 1 . . . . . 558 LEU N . 27302 1
260 . 1 . 1 62 62 LEU H H 1 7.917 0.004 . 1 . . . . . 559 LEU H . 27302 1
261 . 1 . 1 62 62 LEU C C 13 177.911 0.027 . 1 . . . . . 559 LEU C . 27302 1
262 . 1 . 1 62 62 LEU CA C 13 58.268 0.066 . 1 . . . . . 559 LEU CA . 27302 1
263 . 1 . 1 62 62 LEU CB C 13 41.886 0.039 . 1 . . . . . 559 LEU CB . 27302 1
264 . 1 . 1 62 62 LEU N N 15 121.352 0.047 . 1 . . . . . 559 LEU N . 27302 1
265 . 1 . 1 63 63 ARG H H 1 8.397 0.006 . 1 . . . . . 560 ARG H . 27302 1
266 . 1 . 1 63 63 ARG C C 13 179.187 0.014 . 1 . . . . . 560 ARG C . 27302 1
267 . 1 . 1 63 63 ARG CA C 13 59.739 0.096 . 1 . . . . . 560 ARG CA . 27302 1
268 . 1 . 1 63 63 ARG CB C 13 30.114 0.088 . 1 . . . . . 560 ARG CB . 27302 1
269 . 1 . 1 63 63 ARG N N 15 118.316 0.067 . 1 . . . . . 560 ARG N . 27302 1
270 . 1 . 1 64 64 SER H H 1 8.274 0.004 . 1 . . . . . 561 SER H . 27302 1
271 . 1 . 1 64 64 SER C C 13 176.477 0.000 . 1 . . . . . 561 SER C . 27302 1
272 . 1 . 1 64 64 SER CA C 13 61.094 0.086 . 1 . . . . . 561 SER CA . 27302 1
273 . 1 . 1 64 64 SER CB C 13 62.962 0.056 . 1 . . . . . 561 SER CB . 27302 1
274 . 1 . 1 64 64 SER N N 15 114.195 0.082 . 1 . . . . . 561 SER N . 27302 1
275 . 1 . 1 65 65 THR H H 1 7.976 0.008 . 1 . . . . . 562 THR H . 27302 1
276 . 1 . 1 65 65 THR C C 13 175.686 0.000 . 1 . . . . . 562 THR C . 27302 1
277 . 1 . 1 65 65 THR CA C 13 66.434 0.035 . 1 . . . . . 562 THR CA . 27302 1
278 . 1 . 1 65 65 THR CB C 13 68.783 0.045 . 1 . . . . . 562 THR CB . 27302 1
279 . 1 . 1 65 65 THR N N 15 118.358 0.028 . 1 . . . . . 562 THR N . 27302 1
280 . 1 . 1 66 66 ILE H H 1 8.249 0.004 . 1 . . . . . 563 ILE H . 27302 1
281 . 1 . 1 66 66 ILE C C 13 177.415 0.017 . 1 . . . . . 563 ILE C . 27302 1
282 . 1 . 1 66 66 ILE CA C 13 64.956 0.132 . 1 . . . . . 563 ILE CA . 27302 1
283 . 1 . 1 66 66 ILE CB C 13 37.835 0.095 . 1 . . . . . 563 ILE CB . 27302 1
284 . 1 . 1 66 66 ILE N N 15 121.583 0.052 . 1 . . . . . 563 ILE N . 27302 1
285 . 1 . 1 67 67 THR H H 1 8.026 0.003 . 1 . . . . . 564 THR H . 27302 1
286 . 1 . 1 67 67 THR C C 13 176.237 0.000 . 1 . . . . . 564 THR C . 27302 1
287 . 1 . 1 67 67 THR CA C 13 65.801 0.079 . 1 . . . . . 564 THR CA . 27302 1
288 . 1 . 1 67 67 THR CB C 13 68.967 0.055 . 1 . . . . . 564 THR CB . 27302 1
289 . 1 . 1 67 67 THR N N 15 115.216 0.022 . 1 . . . . . 564 THR N . 27302 1
290 . 1 . 1 68 68 THR H H 1 7.861 0.003 . 1 . . . . . 565 THR H . 27302 1
291 . 1 . 1 68 68 THR C C 13 176.093 0.000 . 1 . . . . . 565 THR C . 27302 1
292 . 1 . 1 68 68 THR CA C 13 65.190 0.177 . 1 . . . . . 565 THR CA . 27302 1
293 . 1 . 1 68 68 THR CB C 13 69.165 0.018 . 1 . . . . . 565 THR CB . 27302 1
294 . 1 . 1 68 68 THR N N 15 116.471 0.032 . 1 . . . . . 565 THR N . 27302 1
295 . 1 . 1 69 69 LEU H H 1 7.963 0.004 . 1 . . . . . 566 LEU H . 27302 1
296 . 1 . 1 69 69 LEU C C 13 178.483 0.036 . 1 . . . . . 566 LEU C . 27302 1
297 . 1 . 1 69 69 LEU CA C 13 56.771 0.089 . 1 . . . . . 566 LEU CA . 27302 1
298 . 1 . 1 69 69 LEU CB C 13 42.171 0.043 . 1 . . . . . 566 LEU CB . 27302 1
299 . 1 . 1 69 69 LEU N N 15 121.788 0.037 . 1 . . . . . 566 LEU N . 27302 1
300 . 1 . 1 70 70 GLN H H 1 8.118 0.004 . 1 . . . . . 567 GLN H . 27302 1
301 . 1 . 1 70 70 GLN C C 13 176.243 0.002 . 1 . . . . . 567 GLN C . 27302 1
302 . 1 . 1 70 70 GLN CA C 13 56.988 0.112 . 1 . . . . . 567 GLN CA . 27302 1
303 . 1 . 1 70 70 GLN CB C 13 29.255 0.148 . 1 . . . . . 567 GLN CB . 27302 1
304 . 1 . 1 70 70 GLN N N 15 117.985 0.039 . 1 . . . . . 567 GLN N . 27302 1
305 . 1 . 1 71 71 ASN H H 1 7.933 0.003 . 1 . . . . . 568 ASN H . 27302 1
306 . 1 . 1 71 71 ASN C C 13 174.819 0.011 . 1 . . . . . 568 ASN C . 27302 1
307 . 1 . 1 71 71 ASN CA C 13 53.287 0.092 . 1 . . . . . 568 ASN CA . 27302 1
308 . 1 . 1 71 71 ASN CB C 13 39.089 0.027 . 1 . . . . . 568 ASN CB . 27302 1
309 . 1 . 1 71 71 ASN N N 15 117.852 0.060 . 1 . . . . . 568 ASN N . 27302 1
310 . 1 . 1 72 72 GLN H H 1 7.977 0.004 . 1 . . . . . 569 GLN H . 27302 1
311 . 1 . 1 72 72 GLN C C 13 173.851 0.000 . 1 . . . . . 569 GLN C . 27302 1
312 . 1 . 1 72 72 GLN CA C 13 54.057 0.048 . 1 . . . . . 569 GLN CA . 27302 1
313 . 1 . 1 72 72 GLN CB C 13 28.812 0.075 . 1 . . . . . 569 GLN CB . 27302 1
314 . 1 . 1 72 72 GLN N N 15 121.274 0.020 . 1 . . . . . 569 GLN N . 27302 1
315 . 1 . 1 73 73 PRO C C 13 176.817 0.034 . 1 . . . . . 570 PRO C . 27302 1
316 . 1 . 1 73 73 PRO CA C 13 63.190 0.057 . 1 . . . . . 570 PRO CA . 27302 1
317 . 1 . 1 73 73 PRO CB C 13 32.173 0.074 . 1 . . . . . 570 PRO CB . 27302 1
318 . 1 . 1 74 74 LYS H H 1 8.486 0.002 . 1 . . . . . 571 LYS H . 27302 1
319 . 1 . 1 74 74 LYS C C 13 175.940 0.011 . 1 . . . . . 571 LYS C . 27302 1
320 . 1 . 1 74 74 LYS CA C 13 56.410 0.096 . 1 . . . . . 571 LYS CA . 27302 1
321 . 1 . 1 74 74 LYS CB C 13 33.177 0.105 . 1 . . . . . 571 LYS CB . 27302 1
322 . 1 . 1 74 74 LYS N N 15 122.229 0.035 . 1 . . . . . 571 LYS N . 27302 1
323 . 1 . 1 75 75 SER H H 1 7.969 0.003 . 1 . . . . . 572 SER H . 27302 1
324 . 1 . 1 75 75 SER C C 13 178.648 0.000 . 1 . . . . . 572 SER C . 27302 1
325 . 1 . 1 75 75 SER CA C 13 59.929 0.027 . 1 . . . . . 572 SER CA . 27302 1
326 . 1 . 1 75 75 SER CB C 13 64.918 0.066 . 1 . . . . . 572 SER CB . 27302 1
327 . 1 . 1 75 75 SER N N 15 122.720 0.016 . 1 . . . . . 572 SER N . 27302 1
stop_
save_