Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50745
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'reduced SelW1 chemical shifts'
_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 '3D HNCACB' . . . 50745 2
2 '3D HNCO' . . . 50745 2
3 '3D HNCA' . . . 50745 2
4 '3D HBHA(CO)NH' . . . 50745 2
5 '3D HN(CA)CO' . . . 50745 2
6 '3D 1H-15N TOCSY' . . . 50745 2
7 '3D 1H-15N NOESY' . . . 50745 2
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 . . 50745 2
2 $software_2 . . 50745 2
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 . 2 . 1 3 3 PRO HA H 1 4.512 0.0 . 1 . . 1026 . . 3 PRO HA . 50745 2
2 . 2 . 1 3 3 PRO HB2 H 1 1.677 . . 2 . . 1028 . . 3 PRO HB2 . 50745 2
3 . 2 . 1 3 3 PRO HB3 H 1 2.312 . . 2 . . 1029 . . 3 PRO HB3 . 50745 2
4 . 2 . 1 3 3 PRO C C 13 176.904 0.008 . 1 . . 572 . . 3 PRO C . 50745 2
5 . 2 . 1 3 3 PRO CA C 13 63.211 0.074 . 1 . . 571 . . 3 PRO CA . 50745 2
6 . 2 . 1 3 3 PRO CB C 13 32.156 0.007 . 1 . . 217 . . 3 PRO CB . 50745 2
7 . 2 . 1 4 4 VAL H H 1 8.417 0.003 . 1 . . 153 . . 4 VAL H . 50745 2
8 . 2 . 1 4 4 VAL HA H 1 4.622 0.012 . 1 . . 1027 . . 4 VAL HA . 50745 2
9 . 2 . 1 4 4 VAL HB H 1 1.760 0.006 . 1 . . 1030 . . 4 VAL HB . 50745 2
10 . 2 . 1 4 4 VAL HG11 H 1 0.844 . . 1 . . 1031 . . 4 VAL HG11 . 50745 2
11 . 2 . 1 4 4 VAL HG12 H 1 0.844 . . 1 . . 1031 . . 4 VAL HG12 . 50745 2
12 . 2 . 1 4 4 VAL HG13 H 1 0.844 . . 1 . . 1031 . . 4 VAL HG13 . 50745 2
13 . 2 . 1 4 4 VAL HG21 H 1 0.844 . . 1 . . 1032 . . 4 VAL HG21 . 50745 2
14 . 2 . 1 4 4 VAL HG22 H 1 0.844 . . 1 . . 1032 . . 4 VAL HG22 . 50745 2
15 . 2 . 1 4 4 VAL HG23 H 1 0.844 . . 1 . . 1032 . . 4 VAL HG23 . 50745 2
16 . 2 . 1 4 4 VAL C C 13 174.422 0.009 . 1 . . 558 . . 4 VAL C . 50745 2
17 . 2 . 1 4 4 VAL CA C 13 61.244 0.093 . 1 . . 569 . . 4 VAL CA . 50745 2
18 . 2 . 1 4 4 VAL CB C 13 34.799 0.055 . 1 . . 216 . . 4 VAL CB . 50745 2
19 . 2 . 1 4 4 VAL N N 15 122.464 0.034 . 1 . . 154 . . 4 VAL N . 50745 2
20 . 2 . 1 5 5 GLN H H 1 8.836 0.003 . 1 . . 117 . . 5 GLN H . 50745 2
21 . 2 . 1 5 5 GLN HA H 1 4.917 0.007 . 1 . . 1024 . . 5 GLN HA . 50745 2
22 . 2 . 1 5 5 GLN HB2 H 1 2.041 0.002 . 1 . . 1035 . . 5 GLN HB2 . 50745 2
23 . 2 . 1 5 5 GLN HB3 H 1 2.041 0.002 . 1 . . 1036 . . 5 GLN HB3 . 50745 2
24 . 2 . 1 5 5 GLN HG2 H 1 2.177 . . 1 . . 1033 . . 5 GLN HG2 . 50745 2
25 . 2 . 1 5 5 GLN HG3 H 1 2.177 . . 1 . . 1034 . . 5 GLN HG3 . 50745 2
26 . 2 . 1 5 5 GLN HE21 H 1 6.670 0.0 . 1 . . 617 . . 5 GLN HE21 . 50745 2
27 . 2 . 1 5 5 GLN HE22 H 1 7.336 0.005 . 1 . . 622 . . 5 GLN HE22 . 50745 2
28 . 2 . 1 5 5 GLN C C 13 175.096 0.016 . 1 . . 562 . . 5 GLN C . 50745 2
29 . 2 . 1 5 5 GLN CA C 13 54.100 0.028 . 1 . . 561 . . 5 GLN CA . 50745 2
30 . 2 . 1 5 5 GLN CB C 13 30.252 0.064 . 1 . . 624 . . 5 GLN CB . 50745 2
31 . 2 . 1 5 5 GLN CG C 13 33.427 . . 1 . . 626 . . 5 GLN CG . 50745 2
32 . 2 . 1 5 5 GLN N N 15 127.729 0.041 . 1 . . 118 . . 5 GLN N . 50745 2
33 . 2 . 1 5 5 GLN NE2 N 15 111.034 0.128 . 1 . . 623 . . 5 GLN NE2 . 50745 2
34 . 2 . 1 6 6 VAL H H 1 9.020 0.002 . 1 . . 102 . . 6 VAL H . 50745 2
35 . 2 . 1 6 6 VAL HA H 1 4.929 0.005 . 1 . . 1025 . . 6 VAL HA . 50745 2
36 . 2 . 1 6 6 VAL HB H 1 1.829 . . 1 . . 1037 . . 6 VAL HB . 50745 2
37 . 2 . 1 6 6 VAL C C 13 173.834 . . 1 . . 547 . . 6 VAL C . 50745 2
38 . 2 . 1 6 6 VAL CA C 13 61.409 0.019 . 1 . . 548 . . 6 VAL CA . 50745 2
39 . 2 . 1 6 6 VAL CB C 13 32.849 . . 1 . . 240 . . 6 VAL CB . 50745 2
40 . 2 . 1 6 6 VAL N N 15 129.193 0.061 . 1 . . 103 . . 6 VAL N . 50745 2
41 . 2 . 1 30 30 LYS HA H 1 3.791 . . 1 . . 1039 . . 30 LYS HA . 50745 2
42 . 2 . 1 30 30 LYS CA C 13 55.973 0.023 . 1 . . 589 . . 30 LYS CA . 50745 2
43 . 2 . 1 30 30 LYS CB C 13 32.617 0.042 . 1 . . 587 . . 30 LYS CB . 50745 2
44 . 2 . 1 31 31 PHE H H 1 7.673 0.004 . 1 . . 507 . . 31 PHE H . 50745 2
45 . 2 . 1 31 31 PHE HA H 1 4.979 . . 1 . . 1038 . . 31 PHE HA . 50745 2
46 . 2 . 1 31 31 PHE C C 13 173.533 . . 1 . . 586 . . 31 PHE C . 50745 2
47 . 2 . 1 31 31 PHE CA C 13 54.516 0.037 . 1 . . 588 . . 31 PHE CA . 50745 2
48 . 2 . 1 31 31 PHE CB C 13 39.575 . . 1 . . 711 . . 31 PHE CB . 50745 2
49 . 2 . 1 31 31 PHE N N 15 115.735 0.026 . 1 . . 506 . . 31 PHE N . 50745 2
50 . 2 . 1 32 32 PRO HA H 1 4.625 . . 1 . . 1058 . . 32 PRO HA . 50745 2
51 . 2 . 1 32 32 PRO HB2 H 1 1.896 . . 2 . . 1059 . . 32 PRO HB2 . 50745 2
52 . 2 . 1 32 32 PRO HB3 H 1 2.278 . . 2 . . 1060 . . 32 PRO HB3 . 50745 2
53 . 2 . 1 32 32 PRO C C 13 178.407 0.003 . 1 . . 517 . . 32 PRO C . 50745 2
54 . 2 . 1 32 32 PRO CA C 13 65.010 . . 1 . . 518 . . 32 PRO CA . 50745 2
55 . 2 . 1 32 32 PRO CB C 13 32.269 . . 1 . . 519 . . 32 PRO CB . 50745 2
56 . 2 . 1 33 33 ASN H H 1 8.869 0.003 . 1 . . 42 . . 33 ASN H . 50745 2
57 . 2 . 1 33 33 ASN HA H 1 4.811 0.008 . 1 . . 1057 . . 33 ASN HA . 50745 2
58 . 2 . 1 33 33 ASN HB2 H 1 2.764 . . 2 . . 1055 . . 33 ASN HB2 . 50745 2
59 . 2 . 1 33 33 ASN HB3 H 1 3.012 . . 2 . . 1056 . . 33 ASN HB3 . 50745 2
60 . 2 . 1 33 33 ASN C C 13 174.336 0.034 . 1 . . 514 . . 33 ASN C . 50745 2
61 . 2 . 1 33 33 ASN CA C 13 53.339 0.092 . 1 . . 516 . . 33 ASN CA . 50745 2
62 . 2 . 1 33 33 ASN CB C 13 38.720 0.097 . 1 . . 511 . . 33 ASN CB . 50745 2
63 . 2 . 1 33 33 ASN N N 15 115.834 0.025 . 1 . . 43 . . 33 ASN N . 50745 2
64 . 2 . 1 34 34 ALA H H 1 7.325 0.004 . 1 . . 508 . . 34 ALA H . 50745 2
65 . 2 . 1 34 34 ALA HA H 1 4.469 0.003 . 1 . . 1052 . . 34 ALA HA . 50745 2
66 . 2 . 1 34 34 ALA HB1 H 1 1.435 0.012 . 1 . . 1053 . . 34 ALA HB1 . 50745 2
67 . 2 . 1 34 34 ALA HB2 H 1 1.435 0.012 . 1 . . 1053 . . 34 ALA HB2 . 50745 2
68 . 2 . 1 34 34 ALA HB3 H 1 1.435 0.012 . 1 . . 1053 . . 34 ALA HB3 . 50745 2
69 . 2 . 1 34 34 ALA C C 13 177.144 0.008 . 1 . . 502 . . 34 ALA C . 50745 2
70 . 2 . 1 34 34 ALA CA C 13 51.379 0.076 . 1 . . 501 . . 34 ALA CA . 50745 2
71 . 2 . 1 34 34 ALA CB C 13 22.317 0.084 . 1 . . 500 . . 34 ALA CB . 50745 2
72 . 2 . 1 34 34 ALA N N 15 121.909 0.034 . 1 . . 509 . . 34 ALA N . 50745 2
73 . 2 . 1 35 35 ASP H H 1 8.664 0.003 . 1 . . 56 . . 35 ASP H . 50745 2
74 . 2 . 1 35 35 ASP HA H 1 4.660 . . 1 . . 1049 . . 35 ASP HA . 50745 2
75 . 2 . 1 35 35 ASP HB2 H 1 2.447 . . 2 . . 1050 . . 35 ASP HB2 . 50745 2
76 . 2 . 1 35 35 ASP HB3 H 1 2.885 0.0 . 2 . . 1051 . . 35 ASP HB3 . 50745 2
77 . 2 . 1 35 35 ASP C C 13 173.686 0.018 . 1 . . 494 . . 35 ASP C . 50745 2
78 . 2 . 1 35 35 ASP CA C 13 53.471 0.067 . 1 . . 499 . . 35 ASP CA . 50745 2
79 . 2 . 1 35 35 ASP CB C 13 39.100 0.084 . 1 . . 498 . . 35 ASP CB . 50745 2
80 . 2 . 1 35 35 ASP N N 15 122.630 0.005 . 1 . . 57 . . 35 ASP N . 50745 2
81 . 2 . 1 36 36 ILE H H 1 7.519 0.003 . 1 . . 28 . . 36 ILE H . 50745 2
82 . 2 . 1 36 36 ILE HA H 1 4.570 0.004 . 1 . . 1047 . . 36 ILE HA . 50745 2
83 . 2 . 1 36 36 ILE HB H 1 1.405 0.011 . 1 . . 1048 . . 36 ILE HB . 50745 2
84 . 2 . 1 36 36 ILE C C 13 175.030 0.028 . 1 . . 493 . . 36 ILE C . 50745 2
85 . 2 . 1 36 36 ILE CA C 13 59.882 0.068 . 1 . . 492 . . 36 ILE CA . 50745 2
86 . 2 . 1 36 36 ILE CB C 13 40.903 0.021 . 1 . . 234 . . 36 ILE CB . 50745 2
87 . 2 . 1 36 36 ILE N N 15 123.306 0.038 . 1 . . 29 . . 36 ILE N . 50745 2
88 . 2 . 1 37 37 LYS H H 1 8.612 0.002 . 1 . . 16 . . 37 LYS H . 50745 2
89 . 2 . 1 37 37 LYS HA H 1 4.713 0.007 . 1 . . 1046 . . 37 LYS HA . 50745 2
90 . 2 . 1 37 37 LYS HB2 H 1 1.742 0.003 . 2 . . 1044 . . 37 LYS HB2 . 50745 2
91 . 2 . 1 37 37 LYS HB3 H 1 1.739 . . 2 . . 1045 . . 37 LYS HB3 . 50745 2
92 . 2 . 1 37 37 LYS C C 13 174.623 0.022 . 1 . . 408 . . 37 LYS C . 50745 2
93 . 2 . 1 37 37 LYS CA C 13 54.661 0.067 . 1 . . 407 . . 37 LYS CA . 50745 2
94 . 2 . 1 37 37 LYS CB C 13 34.851 0.065 . 1 . . 274 . . 37 LYS CB . 50745 2
95 . 2 . 1 37 37 LYS N N 15 127.921 0.032 . 1 . . 17 . . 37 LYS N . 50745 2
96 . 2 . 1 38 38 PHE H H 1 8.962 0.004 . 1 . . 139 . . 38 PHE H . 50745 2
97 . 2 . 1 38 38 PHE HA H 1 5.649 0.001 . 1 . . 1040 . . 38 PHE HA . 50745 2
98 . 2 . 1 38 38 PHE HB2 H 1 2.922 0.013 . 2 . . 1042 . . 38 PHE HB2 . 50745 2
99 . 2 . 1 38 38 PHE HB3 H 1 3.550 0.013 . 2 . . 1043 . . 38 PHE HB3 . 50745 2
100 . 2 . 1 38 38 PHE C C 13 176.390 0.007 . 1 . . 480 . . 38 PHE C . 50745 2
101 . 2 . 1 38 38 PHE CA C 13 57.727 0.04 . 1 . . 482 . . 38 PHE CA . 50745 2
102 . 2 . 1 38 38 PHE CB C 13 41.672 0.042 . 1 . . 481 . . 38 PHE CB . 50745 2
103 . 2 . 1 38 38 PHE N N 15 122.802 0.043 . 1 . . 140 . . 38 PHE N . 50745 2
104 . 2 . 1 39 39 SER H H 1 9.538 0.011 . 1 . . 478 . . 39 SER H . 50745 2
105 . 2 . 1 39 39 SER HA H 1 4.848 . . 1 . . 1041 . . 39 SER HA . 50745 2
106 . 2 . 1 39 39 SER C C 13 172.126 . . 1 . . 479 . . 39 SER C . 50745 2
107 . 2 . 1 39 39 SER CB C 13 65.808 . . 1 . . 483 . . 39 SER CB . 50745 2
108 . 2 . 1 39 39 SER N N 15 117.696 0.029 . 1 . . 477 . . 39 SER N . 50745 2
109 . 2 . 1 53 53 GLU C C 13 176.189 0.011 . 1 . . 543 . . 53 GLU C . 50745 2
110 . 2 . 1 53 53 GLU CA C 13 54.090 0.024 . 1 . . 546 . . 53 GLU CA . 50745 2
111 . 2 . 1 53 53 GLU CB C 13 33.723 . . 1 . . 545 . . 53 GLU CB . 50745 2
112 . 2 . 1 54 54 VAL H H 1 8.835 0.002 . 1 . . 544 . . 54 VAL H . 50745 2
113 . 2 . 1 54 54 VAL HA H 1 4.666 . . 1 . . 1062 . . 54 VAL HA . 50745 2
114 . 2 . 1 54 54 VAL HB H 1 1.973 . . 1 . . 1061 . . 54 VAL HB . 50745 2
115 . 2 . 1 54 54 VAL C C 13 175.975 0.01 . 1 . . 533 . . 54 VAL C . 50745 2
116 . 2 . 1 54 54 VAL CA C 13 61.081 0.061 . 1 . . 535 . . 54 VAL CA . 50745 2
117 . 2 . 1 54 54 VAL CB C 13 33.703 0.051 . 1 . . 538 . . 54 VAL CB . 50745 2
118 . 2 . 1 54 54 VAL N N 15 120.882 0.021 . 1 . . 542 . . 54 VAL N . 50745 2
119 . 2 . 1 55 55 ASN H H 1 9.843 0.002 . 1 . . 76 . . 55 ASN H . 50745 2
120 . 2 . 1 55 55 ASN HA H 1 4.554 0.003 . 1 . . 1063 . . 55 ASN HA . 50745 2
121 . 2 . 1 55 55 ASN HD21 H 1 7.851 0.0 . 1 . . 161 . . 55 ASN HD21 . 50745 2
122 . 2 . 1 55 55 ASN HD22 H 1 7.018 0.0 . 1 . . 648 . . 55 ASN HD22 . 50745 2
123 . 2 . 1 55 55 ASN C C 13 175.765 0.015 . 1 . . 531 . . 55 ASN C . 50745 2
124 . 2 . 1 55 55 ASN CA C 13 54.014 0.033 . 1 . . 528 . . 55 ASN CA . 50745 2
125 . 2 . 1 55 55 ASN CB C 13 36.544 0.052 . 1 . . 265 . . 55 ASN CB . 50745 2
126 . 2 . 1 55 55 ASN N N 15 130.727 0.031 . 1 . . 77 . . 55 ASN N . 50745 2
127 . 2 . 1 55 55 ASN ND2 N 15 109.574 0.002 . 1 . . 162 . . 55 ASN ND2 . 50745 2
128 . 2 . 1 56 56 GLY H H 1 9.066 0.003 . 1 . . 530 . . 56 GLY H . 50745 2
129 . 2 . 1 56 56 GLY C C 13 172.970 . . 1 . . 532 . . 56 GLY C . 50745 2
130 . 2 . 1 56 56 GLY CA C 13 45.422 . . 1 . . 710 . . 56 GLY CA . 50745 2
131 . 2 . 1 56 56 GLY N N 15 103.361 0.022 . 1 . . 529 . . 56 GLY N . 50745 2
132 . 2 . 1 81 81 LYS HA H 1 4.249 . . 1 . . 768 . . 81 LYS HA . 50745 2
133 . 2 . 1 81 81 LYS HB2 H 1 1.818 . . 2 . . 1065 . . 81 LYS HB2 . 50745 2
134 . 2 . 1 81 81 LYS HB3 H 1 2.186 . . 2 . . 1066 . . 81 LYS HB3 . 50745 2
135 . 2 . 1 81 81 LYS C C 13 179.847 . . 1 . . 577 . . 81 LYS C . 50745 2
136 . 2 . 1 81 81 LYS CA C 13 57.344 0.066 . 1 . . 579 . . 81 LYS CA . 50745 2
137 . 2 . 1 81 81 LYS CB C 13 31.571 . . 1 . . 581 . . 81 LYS CB . 50745 2
138 . 2 . 1 82 82 ILE H H 1 8.298 0.004 . 1 . . 471 . . 82 ILE H . 50745 2
139 . 2 . 1 82 82 ILE HA H 1 3.438 0.005 . 1 . . 770 . . 82 ILE HA . 50745 2
140 . 2 . 1 82 82 ILE HB H 1 1.847 . . 1 . . 1067 . . 82 ILE HB . 50745 2
141 . 2 . 1 82 82 ILE C C 13 177.120 0.037 . 1 . . 578 . . 82 ILE C . 50745 2
142 . 2 . 1 82 82 ILE CA C 13 66.079 0.023 . 1 . . 470 . . 82 ILE CA . 50745 2
143 . 2 . 1 82 82 ILE CB C 13 37.829 0.036 . 1 . . 580 . . 82 ILE CB . 50745 2
144 . 2 . 1 82 82 ILE N N 15 122.038 0.041 . 1 . . 472 . . 82 ILE N . 50745 2
145 . 2 . 1 83 83 GLY H H 1 9.030 0.003 . 1 . . 169 . . 83 GLY H . 50745 2
146 . 2 . 1 83 83 GLY HA2 H 1 3.637 0.008 . 2 . . 1064 . . 83 GLY HA2 . 50745 2
147 . 2 . 1 83 83 GLY HA3 H 1 4.133 0.026 . 2 . . 1070 . . 83 GLY HA3 . 50745 2
148 . 2 . 1 83 83 GLY C C 13 177.064 0.064 . 1 . . 468 . . 83 GLY C . 50745 2
149 . 2 . 1 83 83 GLY CA C 13 47.322 0.054 . 1 . . 288 . . 83 GLY CA . 50745 2
150 . 2 . 1 83 83 GLY N N 15 107.130 0.052 . 1 . . 170 . . 83 GLY N . 50745 2
151 . 2 . 1 84 84 GLU H H 1 7.995 0.003 . 1 . . 151 . . 84 GLU H . 50745 2
152 . 2 . 1 84 84 GLU HA H 1 4.070 0.009 . 1 . . 1071 . . 84 GLU HA . 50745 2
153 . 2 . 1 84 84 GLU HB2 H 1 2.198 . . 1 . . 1068 . . 84 GLU HB2 . 50745 2
154 . 2 . 1 84 84 GLU HB3 H 1 2.198 . . 1 . . 1069 . . 84 GLU HB3 . 50745 2
155 . 2 . 1 84 84 GLU C C 13 178.750 0.026 . 1 . . 458 . . 84 GLU C . 50745 2
156 . 2 . 1 84 84 GLU CA C 13 59.145 0.066 . 1 . . 585 . . 84 GLU CA . 50745 2
157 . 2 . 1 84 84 GLU CB C 13 30.153 0.052 . 1 . . 465 . . 84 GLU CB . 50745 2
158 . 2 . 1 84 84 GLU N N 15 121.016 0.023 . 1 . . 152 . . 84 GLU N . 50745 2
159 . 2 . 1 85 85 ALA H H 1 7.589 0.002 . 1 . . 384 . . 85 ALA H . 50745 2
160 . 2 . 1 85 85 ALA HA H 1 4.119 0.007 . 1 . . 1072 . . 85 ALA HA . 50745 2
161 . 2 . 1 85 85 ALA HB1 H 1 1.470 0.016 . 1 . . 1073 . . 85 ALA HB1 . 50745 2
162 . 2 . 1 85 85 ALA HB2 H 1 1.470 0.016 . 1 . . 1073 . . 85 ALA HB2 . 50745 2
163 . 2 . 1 85 85 ALA HB3 H 1 1.470 0.016 . 1 . . 1073 . . 85 ALA HB3 . 50745 2
164 . 2 . 1 85 85 ALA C C 13 180.727 0.039 . 1 . . 456 . . 85 ALA C . 50745 2
165 . 2 . 1 85 85 ALA CA C 13 54.819 0.096 . 1 . . 461 . . 85 ALA CA . 50745 2
166 . 2 . 1 85 85 ALA CB C 13 18.650 0.032 . 1 . . 245 . . 85 ALA CB . 50745 2
167 . 2 . 1 85 85 ALA N N 15 122.163 0.036 . 1 . . 383 . . 85 ALA N . 50745 2
168 . 2 . 1 86 86 LEU H H 1 8.488 0.003 . 1 . . 175 . . 86 LEU H . 50745 2
169 . 2 . 1 86 86 LEU HA H 1 4.274 . . 1 . . 1076 . . 86 LEU HA . 50745 2
170 . 2 . 1 86 86 LEU HB2 H 1 1.766 . . 2 . . 1080 . . 86 LEU HB2 . 50745 2
171 . 2 . 1 86 86 LEU HB3 H 1 1.400 . . 2 . . 1081 . . 86 LEU HB3 . 50745 2
172 . 2 . 1 86 86 LEU C C 13 178.198 0.007 . 1 . . 457 . . 86 LEU C . 50745 2
173 . 2 . 1 86 86 LEU CA C 13 56.971 0.038 . 1 . . 460 . . 86 LEU CA . 50745 2
174 . 2 . 1 86 86 LEU CB C 13 42.605 0.073 . 1 . . 244 . . 86 LEU CB . 50745 2
175 . 2 . 1 86 86 LEU N N 15 119.837 0.039 . 1 . . 176 . . 86 LEU N . 50745 2
176 . 2 . 1 87 87 ALA H H 1 7.240 0.004 . 1 . . 202 . . 87 ALA H . 50745 2
177 . 2 . 1 87 87 ALA HA H 1 4.295 0.005 . 1 . . 1075 . . 87 ALA HA . 50745 2
178 . 2 . 1 87 87 ALA HB1 H 1 1.496 0.009 . 1 . . 1074 . . 87 ALA HB1 . 50745 2
179 . 2 . 1 87 87 ALA HB2 H 1 1.496 0.009 . 1 . . 1074 . . 87 ALA HB2 . 50745 2
180 . 2 . 1 87 87 ALA HB3 H 1 1.496 0.009 . 1 . . 1074 . . 87 ALA HB3 . 50745 2
181 . 2 . 1 87 87 ALA C C 13 177.536 0.005 . 1 . . 403 . . 87 ALA C . 50745 2
182 . 2 . 1 87 87 ALA CA C 13 52.666 0.051 . 1 . . 404 . . 87 ALA CA . 50745 2
183 . 2 . 1 87 87 ALA CB C 13 19.219 0.044 . 1 . . 285 . . 87 ALA CB . 50745 2
184 . 2 . 1 87 87 ALA N N 15 119.191 0.023 . 1 . . 203 . . 87 ALA N . 50745 2
185 . 2 . 1 88 88 LYS H H 1 7.131 0.003 . 1 . . 78 . . 88 LYS H . 50745 2
186 . 2 . 1 88 88 LYS HA H 1 4.032 . . 1 . . 1077 . . 88 LYS HA . 50745 2
187 . 2 . 1 88 88 LYS HB2 H 1 1.816 0.016 . 1 . . 1078 . . 88 LYS HB2 . 50745 2
188 . 2 . 1 88 88 LYS HB3 H 1 1.816 0.016 . 1 . . 1079 . . 88 LYS HB3 . 50745 2
189 . 2 . 1 88 88 LYS C C 13 181.776 . . 1 . . 406 . . 88 LYS C . 50745 2
190 . 2 . 1 88 88 LYS CA C 13 58.898 0.012 . 1 . . 405 . . 88 LYS CA . 50745 2
191 . 2 . 1 88 88 LYS CB C 13 33.379 . . 1 . . 221 . . 88 LYS CB . 50745 2
192 . 2 . 1 88 88 LYS N N 15 123.690 0.031 . 1 . . 79 . . 88 LYS N . 50745 2
stop_
save_