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 53520
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chemical_shifts_NTD_10C
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 HNCO' . . . 53520 1
2 '3D HN(CO)CA' . . . 53520 1
3 '3D HNN' . . . 53520 1
4 '3D CBCA(CO)NH' . . . 53520 1
5 '3D HNCACB' . . . 53520 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 . . 53520 1
2 $software_2 . . 53520 1
3 $software_3 . . 53520 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 MET C C 13 172.2209719 0.004544485773 . 1 . . . . . 1 MET C . 53520 1
2 . 1 . 1 1 1 MET CA C 13 54.67485741 0.01262249203 . 1 . . . . . 1 MET CA . 53520 1
3 . 1 . 1 1 1 MET CB C 13 32.8375689 0.0005114084635 . 1 . . . . . 1 MET CB . 53520 1
4 . 1 . 1 2 2 ALA H H 1 8.52871315 0.001178431233 . 1 . . . . . 2 ALA H . 53520 1
5 . 1 . 1 2 2 ALA C C 13 176.8765053 0.006088340192 . 1 . . . . . 2 ALA C . 53520 1
6 . 1 . 1 2 2 ALA CA C 13 52.09175803 0.007818397208 . 1 . . . . . 2 ALA CA . 53520 1
7 . 1 . 1 2 2 ALA CB C 13 18.91725438 0.01608873195 . 1 . . . . . 2 ALA CB . 53520 1
8 . 1 . 1 2 2 ALA N N 15 127.3012416 0.005296868214 . 1 . . . . . 2 ALA N . 53520 1
9 . 1 . 1 3 3 ALA H H 1 8.309607143 0.0008374175563 . 1 . . . . . 3 ALA H . 53520 1
10 . 1 . 1 3 3 ALA C C 13 177.5472338 0.005779380294 . 1 . . . . . 3 ALA C . 53520 1
11 . 1 . 1 3 3 ALA CA C 13 52.09149397 0.008476210622 . 1 . . . . . 3 ALA CA . 53520 1
12 . 1 . 1 3 3 ALA CB C 13 18.91477071 0.007137758622 . 1 . . . . . 3 ALA CB . 53520 1
13 . 1 . 1 3 3 ALA N N 15 124.3816857 0.003342460459 . 1 . . . . . 3 ALA N . 53520 1
14 . 1 . 1 4 4 ARG H H 1 8.253230511 0.0007294647673 . 1 . . . . . 4 ARG H . 53520 1
15 . 1 . 1 4 4 ARG C C 13 176.08919 0.008742526115 . 1 . . . . . 4 ARG C . 53520 1
16 . 1 . 1 4 4 ARG CA C 13 55.74170268 0.02508630653 . 1 . . . . . 4 ARG CA . 53520 1
17 . 1 . 1 4 4 ARG CB C 13 30.59697967 0.03528337373 . 1 . . . . . 4 ARG CB . 53520 1
18 . 1 . 1 4 4 ARG N N 15 121.1022928 0.002189123197 . 1 . . . . . 4 ARG N . 53520 1
19 . 1 . 1 5 5 ARG H H 1 8.269085392 0.0003048858858 . 1 . . . . . 5 ARG H . 53520 1
20 . 1 . 1 5 5 ARG C C 13 175.9792096 0.008873989068 . 1 . . . . . 5 ARG C . 53520 1
21 . 1 . 1 5 5 ARG CA C 13 55.67968621 0.07410868407 . 1 . . . . . 5 ARG CA . 53520 1
22 . 1 . 1 5 5 ARG CB C 13 30.71465199 0.01814161275 . 1 . . . . . 5 ARG CB . 53520 1
23 . 1 . 1 5 5 ARG N N 15 123.1072826 0.003217642026 . 1 . . . . . 5 ARG N . 53520 1
24 . 1 . 1 6 6 ARG H H 1 8.337626357 0.0006166198882 . 1 . . . . . 6 ARG H . 53520 1
25 . 1 . 1 6 6 ARG C C 13 175.9624656 0.0130259847 . 1 . . . . . 6 ARG C . 53520 1
26 . 1 . 1 6 6 ARG CA C 13 55.80903987 0.01644635361 . 1 . . . . . 6 ARG CA . 53520 1
27 . 1 . 1 6 6 ARG CB C 13 30.78079605 0.03572757364 . 1 . . . . . 6 ARG CB . 53520 1
28 . 1 . 1 6 6 ARG N N 15 123.5426394 0.004924709532 . 1 . . . . . 6 ARG N . 53520 1
29 . 1 . 1 7 7 ARG H H 1 8.364558891 0.002077504512 . 1 . . . . . 7 ARG H . 53520 1
30 . 1 . 1 7 7 ARG C C 13 176.0912103 0.01086311823 . 1 . . . . . 7 ARG C . 53520 1
31 . 1 . 1 7 7 ARG CA C 13 55.80389699 0.04960474907 . 1 . . . . . 7 ARG CA . 53520 1
32 . 1 . 1 7 7 ARG CB C 13 30.69492591 0.07777182324 . 1 . . . . . 7 ARG CB . 53520 1
33 . 1 . 1 7 7 ARG N N 15 123.4178448 0.001507762412 . 1 . . . . . 7 ARG N . 53520 1
34 . 1 . 1 8 8 SER H H 1 8.370811094 0.0009297711019 . 1 . . . . . 8 SER H . 53520 1
35 . 1 . 1 8 8 SER C C 13 174.6090742 0.01539492697 . 1 . . . . . 8 SER C . 53520 1
36 . 1 . 1 8 8 SER CA C 13 57.89047673 0.01228821395 . 1 . . . . . 8 SER CA . 53520 1
37 . 1 . 1 8 8 SER CB C 13 63.58479319 0.005581703914 . 1 . . . . . 8 SER CB . 53520 1
38 . 1 . 1 8 8 SER N N 15 118.0115859 0.004360913337 . 1 . . . . . 8 SER N . 53520 1
39 . 1 . 1 9 9 THR H H 1 8.165992541 0.001051292808 . 1 . . . . . 9 THR H . 53520 1
40 . 1 . 1 9 9 THR C C 13 174.9788402 0.005251652661 . 1 . . . . . 9 THR C . 53520 1
41 . 1 . 1 9 9 THR CA C 13 61.47955488 0.01892412418 . 1 . . . . . 9 THR CA . 53520 1
42 . 1 . 1 9 9 THR CB C 13 69.62507731 0.01534221614 . 1 . . . . . 9 THR CB . 53520 1
43 . 1 . 1 9 9 THR N N 15 115.592572 0.005810656454 . 1 . . . . . 9 THR N . 53520 1
44 . 1 . 1 10 10 GLY H H 1 8.292616229 0.0008347516164 . 1 . . . . . 10 GLY H . 53520 1
45 . 1 . 1 10 10 GLY C C 13 174.5154882 0.006555684887 . 1 . . . . . 10 GLY C . 53520 1
46 . 1 . 1 10 10 GLY CA C 13 45.03154662 0.05213460026 . 1 . . . . . 10 GLY CA . 53520 1
47 . 1 . 1 10 10 GLY N N 15 110.8048212 0.006457233231 . 1 . . . . . 10 GLY N . 53520 1
48 . 1 . 1 11 11 GLY H H 1 8.225652558 0.0006070806076 . 1 . . . . . 11 GLY H . 53520 1
49 . 1 . 1 11 11 GLY C C 13 174.60228 0.00714941846 . 1 . . . . . 11 GLY C . 53520 1
50 . 1 . 1 11 11 GLY CA C 13 45.11522547 0.03385414699 . 1 . . . . . 11 GLY CA . 53520 1
51 . 1 . 1 11 11 GLY N N 15 108.7228394 0 . 1 . . . . . 11 GLY N . 53520 1
52 . 1 . 1 12 12 GLY H H 1 8.201729428 0.0007443966314 . 1 . . . . . 12 GLY H . 53520 1
53 . 1 . 1 12 12 GLY C C 13 173.961484 0.008220598703 . 1 . . . . . 12 GLY C . 53520 1
54 . 1 . 1 12 12 GLY CA C 13 44.88847325 0.01100795027 . 1 . . . . . 12 GLY CA . 53520 1
55 . 1 . 1 12 12 GLY N N 15 108.7185018 0.001432748317 . 1 . . . . . 12 GLY N . 53520 1
56 . 1 . 1 13 13 ARG H H 1 8.085684471 0.0008624110676 . 1 . . . . . 13 ARG H . 53520 1
57 . 1 . 1 13 13 ARG C C 13 176.1057587 . . 1 . . . . . 13 ARG C . 53520 1
58 . 1 . 1 13 13 ARG CA C 13 55.84586163 . . 1 . . . . . 13 ARG CA . 53520 1
59 . 1 . 1 13 13 ARG CB C 13 30.58886375 . . 1 . . . . . 13 ARG CB . 53520 1
60 . 1 . 1 13 13 ARG N N 15 120.7373857 0.01253940763 . 1 . . . . . 13 ARG N . 53520 1
61 . 1 . 1 14 14 ALA C C 13 177.5819356 0.009257983017 . 1 . . . . . 14 ALA C . 53520 1
62 . 1 . 1 14 14 ALA CA C 13 52.38980936 0.01029447128 . 1 . . . . . 14 ALA CA . 53520 1
63 . 1 . 1 14 14 ALA CB C 13 18.81274443 0.004723376215 . 1 . . . . . 14 ALA CB . 53520 1
64 . 1 . 1 15 15 ARG H H 1 8.130426249 0.0008049539286 . 1 . . . . . 15 ARG H . 53520 1
65 . 1 . 1 15 15 ARG C C 13 175.9800055 0.03415719137 . 1 . . . . . 15 ARG C . 53520 1
66 . 1 . 1 15 15 ARG CA C 13 55.84016043 0.0191681546 . 1 . . . . . 15 ARG CA . 53520 1
67 . 1 . 1 15 15 ARG CB C 13 30.60607226 0.008474823285 . 1 . . . . . 15 ARG CB . 53520 1
68 . 1 . 1 15 15 ARG N N 15 120.7439675 0.01099138342 . 1 . . . . . 15 ARG N . 53520 1
69 . 1 . 1 16 16 ALA H H 1 8.218667879 0.0007053572664 . 1 . . . . . 16 ALA H . 53520 1
70 . 1 . 1 16 16 ALA C C 13 177.6616219 0.01717162797 . 1 . . . . . 16 ALA C . 53520 1
71 . 1 . 1 16 16 ALA CA C 13 52.18962217 0.05312156985 . 1 . . . . . 16 ALA CA . 53520 1
72 . 1 . 1 16 16 ALA CB C 13 18.9059829 0.03046524058 . 1 . . . . . 16 ALA CB . 53520 1
73 . 1 . 1 16 16 ALA N N 15 125.5161943 0.002882803661 . 1 . . . . . 16 ALA N . 53520 1
74 . 1 . 1 17 17 LEU H H 1 8.150751637 0.0008766229032 . 1 . . . . . 17 LEU H . 53520 1
75 . 1 . 1 17 17 LEU C C 13 177.2602441 0.004428587107 . 1 . . . . . 17 LEU C . 53520 1
76 . 1 . 1 17 17 LEU CA C 13 55.36134342 0.04590542891 . 1 . . . . . 17 LEU CA . 53520 1
77 . 1 . 1 17 17 LEU CB C 13 42.03095357 0.01841797294 . 1 . . . . . 17 LEU CB . 53520 1
78 . 1 . 1 17 17 LEU N N 15 121.6374252 0.001874081412 . 1 . . . . . 17 LEU N . 53520 1
79 . 1 . 1 18 18 ASN H H 1 8.252199491 0.0006365022476 . 1 . . . . . 18 ASN H . 53520 1
80 . 1 . 1 18 18 ASN C C 13 175.1509568 0.01282517063 . 1 . . . . . 18 ASN C . 53520 1
81 . 1 . 1 18 18 ASN CA C 13 53.12390712 0.008351614471 . 1 . . . . . 18 ASN CA . 53520 1
82 . 1 . 1 18 18 ASN CB C 13 38.35577826 0.007233227114 . 1 . . . . . 18 ASN CB . 53520 1
83 . 1 . 1 18 18 ASN N N 15 118.5434104 0.0052245007 . 1 . . . . . 18 ASN N . 53520 1
84 . 1 . 1 19 19 GLU H H 1 8.136838614 0.000868198064 . 1 . . . . . 19 GLU H . 53520 1
85 . 1 . 1 19 19 GLU C C 13 176.4574268 0.01132167381 . 1 . . . . . 19 GLU C . 53520 1
86 . 1 . 1 19 19 GLU CA C 13 56.55674318 0.02722984382 . 1 . . . . . 19 GLU CA . 53520 1
87 . 1 . 1 19 19 GLU CB C 13 30.107297 0.01169394469 . 1 . . . . . 19 GLU CB . 53520 1
88 . 1 . 1 19 19 GLU N N 15 121.2698159 0.01097731717 . 1 . . . . . 19 GLU N . 53520 1
89 . 1 . 1 20 20 SER H H 1 8.183600614 0.000689909476 . 1 . . . . . 20 SER H . 53520 1
90 . 1 . 1 20 20 SER C C 13 174.3511697 0.005664261555 . 1 . . . . . 20 SER C . 53520 1
91 . 1 . 1 20 20 SER CA C 13 58.48502699 0.02569042097 . 1 . . . . . 20 SER CA . 53520 1
92 . 1 . 1 20 20 SER CB C 13 63.374881 0.005321943528 . 1 . . . . . 20 SER CB . 53520 1
93 . 1 . 1 20 20 SER N N 15 116.9635305 0.01274956804 . 1 . . . . . 20 SER N . 53520 1
94 . 1 . 1 21 21 LYS H H 1 8.118453333 0.0007434646734 . 1 . . . . . 21 LYS H . 53520 1
95 . 1 . 1 21 21 LYS C C 13 176.1966508 0.003310941874 . 1 . . . . . 21 LYS C . 53520 1
96 . 1 . 1 21 21 LYS CA C 13 56.00938193 0.03903062932 . 1 . . . . . 21 LYS CA . 53520 1
97 . 1 . 1 21 21 LYS CB C 13 32.57749423 0.0400500168 . 1 . . . . . 21 LYS CB . 53520 1
98 . 1 . 1 21 21 LYS N N 15 122.9731165 0.003518446427 . 1 . . . . . 21 LYS N . 53520 1
99 . 1 . 1 22 22 ARG H H 1 8.114908017 0.0006240911098 . 1 . . . . . 22 ARG H . 53520 1
100 . 1 . 1 22 22 ARG C C 13 176.0937093 0.006488153862 . 1 . . . . . 22 ARG C . 53520 1
101 . 1 . 1 22 22 ARG CA C 13 55.8656215 0.08731094122 . 1 . . . . . 22 ARG CA . 53520 1
102 . 1 . 1 22 22 ARG CB C 13 30.55772934 0.01700990312 . 1 . . . . . 22 ARG CB . 53520 1
103 . 1 . 1 22 22 ARG N N 15 122.6079112 0.003034247889 . 1 . . . . . 22 ARG N . 53520 1
104 . 1 . 1 23 23 VAL H H 1 8.101590753 0.0008973870325 . 1 . . . . . 23 VAL H . 53520 1
105 . 1 . 1 23 23 VAL C C 13 175.6045019 0.004725997713 . 1 . . . . . 23 VAL C . 53520 1
106 . 1 . 1 23 23 VAL CA C 13 62.01442099 0.002242212746 . 1 . . . . . 23 VAL CA . 53520 1
107 . 1 . 1 23 23 VAL CB C 13 32.61642071 0.004717299613 . 1 . . . . . 23 VAL CB . 53520 1
108 . 1 . 1 23 23 VAL N N 15 121.8137362 0.01464499499 . 1 . . . . . 23 VAL N . 53520 1
109 . 1 . 1 24 24 ASN H H 1 8.43481107 0.0009383077906 . 1 . . . . . 24 ASN H . 53520 1
110 . 1 . 1 24 24 ASN C C 13 174.6891864 0.007527495341 . 1 . . . . . 24 ASN C . 53520 1
111 . 1 . 1 24 24 ASN CA C 13 52.79537654 0.01468665436 . 1 . . . . . 24 ASN CA . 53520 1
112 . 1 . 1 24 24 ASN CB C 13 38.60697944 0.02069729384 . 1 . . . . . 24 ASN CB . 53520 1
113 . 1 . 1 24 24 ASN N N 15 122.6216792 0.001096756976 . 1 . . . . . 24 ASN N . 53520 1
114 . 1 . 1 25 25 ASN H H 1 8.356796184 0.0009005424403 . 1 . . . . . 25 ASN H . 53520 1
115 . 1 . 1 25 25 ASN C C 13 175.4485599 0.004404919568 . 1 . . . . . 25 ASN C . 53520 1
116 . 1 . 1 25 25 ASN CA C 13 53.04968038 0.0363471486 . 1 . . . . . 25 ASN CA . 53520 1
117 . 1 . 1 25 25 ASN CB C 13 38.5748588 0.0054542512 . 1 . . . . . 25 ASN CB . 53520 1
118 . 1 . 1 25 25 ASN N N 15 119.9167793 0.001656219033 . 1 . . . . . 25 ASN N . 53520 1
119 . 1 . 1 26 26 GLY H H 1 8.229265871 0.0008051775504 . 1 . . . . . 26 GLY H . 53520 1
120 . 1 . 1 26 26 GLY C C 13 173.7077687 0.009265396306 . 1 . . . . . 26 GLY C . 53520 1
121 . 1 . 1 26 26 GLY CA C 13 45.16456428 0.009608876337 . 1 . . . . . 26 GLY CA . 53520 1
122 . 1 . 1 26 26 GLY N N 15 108.6465645 0.02759269695 . 1 . . . . . 26 GLY N . 53520 1
123 . 1 . 1 27 27 ASN H H 1 8.147086106 0.0004366944133 . 1 . . . . . 27 ASN H . 53520 1
124 . 1 . 1 27 27 ASN C C 13 175.2146517 0.007158728417 . 1 . . . . . 27 ASN C . 53520 1
125 . 1 . 1 27 27 ASN CA C 13 52.93349849 0.01962849854 . 1 . . . . . 27 ASN CA . 53520 1
126 . 1 . 1 27 27 ASN CB C 13 38.67461959 0.008350981041 . 1 . . . . . 27 ASN CB . 53520 1
127 . 1 . 1 27 27 ASN N N 15 118.6089921 0.003658725496 . 1 . . . . . 27 ASN N . 53520 1
128 . 1 . 1 28 28 THR H H 1 7.996276284 0.000559315117 . 1 . . . . . 28 THR H . 53520 1
129 . 1 . 1 28 28 THR C C 13 173.7641512 0.005487228206 . 1 . . . . . 28 THR C . 53520 1
130 . 1 . 1 28 28 THR CA C 13 61.48111299 0.01192831309 . 1 . . . . . 28 THR CA . 53520 1
131 . 1 . 1 28 28 THR CB C 13 69.63467026 0.01449253383 . 1 . . . . . 28 THR CB . 53520 1
132 . 1 . 1 28 28 THR N N 15 114.7594659 0.005565155994 . 1 . . . . . 28 THR N . 53520 1
133 . 1 . 1 29 29 ALA H H 1 8.273279464 0.0007933655056 . 1 . . . . . 29 ALA H . 53520 1
134 . 1 . 1 29 29 ALA C C 13 175.3775937 . . 1 . . . . . 29 ALA C . 53520 1
135 . 1 . 1 29 29 ALA CA C 13 50.37664049 . . 1 . . . . . 29 ALA CA . 53520 1
136 . 1 . 1 29 29 ALA CB C 13 17.84801004 . . 1 . . . . . 29 ALA CB . 53520 1
137 . 1 . 1 29 29 ALA N N 15 128.2694238 0.005805519327 . 1 . . . . . 29 ALA N . 53520 1
138 . 1 . 1 30 30 PRO C C 13 177.0394363 0.009864759924 . 1 . . . . . 30 PRO C . 53520 1
139 . 1 . 1 30 30 PRO CA C 13 62.96061533 0.001295899705 . 1 . . . . . 30 PRO CA . 53520 1
140 . 1 . 1 30 30 PRO CB C 13 31.80986792 0.0156376621 . 1 . . . . . 30 PRO CB . 53520 1
141 . 1 . 1 31 31 GLU H H 1 8.49383321 0.0009218339591 . 1 . . . . . 31 GLU H . 53520 1
142 . 1 . 1 31 31 GLU C C 13 176.2204273 0.01341652619 . 1 . . . . . 31 GLU C . 53520 1
143 . 1 . 1 31 31 GLU CA C 13 56.59805431 0.01402083212 . 1 . . . . . 31 GLU CA . 53520 1
144 . 1 . 1 31 31 GLU CB C 13 29.86943693 0.008202374423 . 1 . . . . . 31 GLU CB . 53520 1
145 . 1 . 1 31 31 GLU N N 15 120.8879217 0.005987967401 . 1 . . . . . 31 GLU N . 53520 1
146 . 1 . 1 32 32 ASP H H 1 8.212043635 0.0006749517438 . 1 . . . . . 32 ASP H . 53520 1
147 . 1 . 1 32 32 ASP C C 13 176.0503745 0.01388024818 . 1 . . . . . 32 ASP C . 53520 1
148 . 1 . 1 32 32 ASP CA C 13 54.11861716 0.01780681159 . 1 . . . . . 32 ASP CA . 53520 1
149 . 1 . 1 32 32 ASP CB C 13 40.9305321 0.01477218287 . 1 . . . . . 32 ASP CB . 53520 1
150 . 1 . 1 32 32 ASP N N 15 121.6511359 0.003309250977 . 1 . . . . . 32 ASP N . 53520 1
151 . 1 . 1 33 33 SER H H 1 8.09087195 0.0004931124647 . 1 . . . . . 33 SER H . 53520 1
152 . 1 . 1 33 33 SER C C 13 174.1660716 0.003314565298 . 1 . . . . . 33 SER C . 53520 1
153 . 1 . 1 33 33 SER CA C 13 57.94736087 0.009558474719 . 1 . . . . . 33 SER CA . 53520 1
154 . 1 . 1 33 33 SER CB C 13 63.51011023 0.01116991551 . 1 . . . . . 33 SER CB . 53520 1
155 . 1 . 1 33 33 SER N N 15 116.6460753 0.005917956333 . 1 . . . . . 33 SER N . 53520 1
156 . 1 . 1 34 34 SER H H 1 8.125643249 0.000780014867 . 1 . . . . . 34 SER H . 53520 1
157 . 1 . 1 34 34 SER C C 13 172.9018909 . . 1 . . . . . 34 SER C . 53520 1
158 . 1 . 1 34 34 SER CA C 13 56.62940762 . . 1 . . . . . 34 SER CA . 53520 1
159 . 1 . 1 34 34 SER CB C 13 63.01348414 . . 1 . . . . . 34 SER CB . 53520 1
160 . 1 . 1 34 34 SER N N 15 118.7574699 0.005663954864 . 1 . . . . . 34 SER N . 53520 1
161 . 1 . 1 35 35 PRO C C 13 176.9134457 0.003482384044 . 1 . . . . . 35 PRO C . 53520 1
162 . 1 . 1 35 35 PRO CA C 13 63.53177075 0.01669096136 . 1 . . . . . 35 PRO CA . 53520 1
163 . 1 . 1 35 35 PRO CB C 13 31.66407942 0.02953020969 . 1 . . . . . 35 PRO CB . 53520 1
164 . 1 . 1 36 36 ALA H H 1 8.047934805 0.000510026159 . 1 . . . . . 36 ALA H . 53520 1
165 . 1 . 1 36 36 ALA C C 13 177.9963087 0.004963466122 . 1 . . . . . 36 ALA C . 53520 1
166 . 1 . 1 36 36 ALA CA C 13 52.62723582 0.01331083653 . 1 . . . . . 36 ALA CA . 53520 1
167 . 1 . 1 36 36 ALA CB C 13 18.65150289 0.008615186865 . 1 . . . . . 36 ALA CB . 53520 1
168 . 1 . 1 36 36 ALA N N 15 122.6676332 0.005687783021 . 1 . . . . . 36 ALA N . 53520 1
169 . 1 . 1 37 37 LYS H H 1 7.954168244 0.0005990756724 . 1 . . . . . 37 LYS H . 53520 1
170 . 1 . 1 37 37 LYS C C 13 176.6976424 0.01094342105 . 1 . . . . . 37 LYS C . 53520 1
171 . 1 . 1 37 37 LYS CA C 13 56.18922739 0.0585649626 . 1 . . . . . 37 LYS CA . 53520 1
172 . 1 . 1 37 37 LYS CB C 13 32.59386139 0.006383127254 . 1 . . . . . 37 LYS CB . 53520 1
173 . 1 . 1 37 37 LYS N N 15 119.7678132 0.003563184545 . 1 . . . . . 37 LYS N . 53520 1
174 . 1 . 1 38 38 LYS H H 1 8.068457711 0.0006967979478 . 1 . . . . . 38 LYS H . 53520 1
175 . 1 . 1 38 38 LYS C C 13 176.6732489 0.007110976856 . 1 . . . . . 38 LYS C . 53520 1
176 . 1 . 1 38 38 LYS CA C 13 56.21382837 0.04975785005 . 1 . . . . . 38 LYS CA . 53520 1
177 . 1 . 1 38 38 LYS CB C 13 32.66972201 0.06356783943 . 1 . . . . . 38 LYS CB . 53520 1
178 . 1 . 1 38 38 LYS N N 15 121.9113157 0.005223649192 . 1 . . . . . 38 LYS N . 53520 1
179 . 1 . 1 39 39 THR H H 1 7.954472245 0.0005629710478 . 1 . . . . . 39 THR H . 53520 1
180 . 1 . 1 39 39 THR C C 13 174.2172359 0.004338005651 . 1 . . . . . 39 THR C . 53520 1
181 . 1 . 1 39 39 THR CA C 13 61.78741577 0.007619019875 . 1 . . . . . 39 THR CA . 53520 1
182 . 1 . 1 39 39 THR CB C 13 69.64140224 0.0180446763 . 1 . . . . . 39 THR CB . 53520 1
183 . 1 . 1 39 39 THR N N 15 115.529677 0.005970013561 . 1 . . . . . 39 THR N . 53520 1
184 . 1 . 1 40 40 ARG H H 1 8.204912638 0.0008156707457 . 1 . . . . . 40 ARG H . 53520 1
185 . 1 . 1 40 40 ARG C C 13 176.0152939 0.007563718884 . 1 . . . . . 40 ARG C . 53520 1
186 . 1 . 1 40 40 ARG CA C 13 55.87680827 0.009996701138 . 1 . . . . . 40 ARG CA . 53520 1
187 . 1 . 1 40 40 ARG CB C 13 30.58045896 0.02318010879 . 1 . . . . . 40 ARG CB . 53520 1
188 . 1 . 1 40 40 ARG N N 15 123.8433195 0.006621912865 . 1 . . . . . 40 ARG N . 53520 1
189 . 1 . 1 41 41 ARG H H 1 8.289821815 0.0002437666162 . 1 . . . . . 41 ARG H . 53520 1
190 . 1 . 1 41 41 ARG C C 13 176.011581 0.01625064718 . 1 . . . . . 41 ARG C . 53520 1
191 . 1 . 1 41 41 ARG CA C 13 55.89335251 0.01510339865 . 1 . . . . . 41 ARG CA . 53520 1
192 . 1 . 1 41 41 ARG CB C 13 30.5740448 0.01541295662 . 1 . . . . . 41 ARG CB . 53520 1
193 . 1 . 1 41 41 ARG N N 15 123.0862579 0 . 1 . . . . . 41 ARG N . 53520 1
194 . 1 . 1 42 42 CYS H H 1 8.316414356 0.001630699401 . 1 . . . . . 42 CYS H . 53520 1
195 . 1 . 1 42 42 CYS C C 13 174.2987614 0.004849284141 . 1 . . . . . 42 CYS C . 53520 1
196 . 1 . 1 42 42 CYS CA C 13 58.31695008 0.01489655952 . 1 . . . . . 42 CYS CA . 53520 1
197 . 1 . 1 42 42 CYS CB C 13 27.78511255 0.01326594363 . 1 . . . . . 42 CYS CB . 53520 1
198 . 1 . 1 42 42 CYS N N 15 121.128786 0.012284243 . 1 . . . . . 42 CYS N . 53520 1
199 . 1 . 1 43 43 GLN H H 1 8.392325155 0.0004156559552 . 1 . . . . . 43 GLN H . 53520 1
200 . 1 . 1 43 43 GLN C C 13 175.6010352 0.007006180682 . 1 . . . . . 43 GLN C . 53520 1
201 . 1 . 1 43 43 GLN CA C 13 55.79658454 0.01523279882 . 1 . . . . . 43 GLN CA . 53520 1
202 . 1 . 1 43 43 GLN CB C 13 29.32820786 0.02183005172 . 1 . . . . . 43 GLN CB . 53520 1
203 . 1 . 1 43 43 GLN N N 15 123.4789705 0.002995805715 . 1 . . . . . 43 GLN N . 53520 1
204 . 1 . 1 44 44 ARG H H 1 8.287151291 0.00141519811 . 1 . . . . . 44 ARG H . 53520 1
205 . 1 . 1 44 44 ARG C C 13 175.9406281 0.02273775641 . 1 . . . . . 44 ARG C . 53520 1
206 . 1 . 1 44 44 ARG CA C 13 56.11027145 0.01038319253 . 1 . . . . . 44 ARG CA . 53520 1
207 . 1 . 1 44 44 ARG CB C 13 30.62565313 0.02383474982 . 1 . . . . . 44 ARG CB . 53520 1
208 . 1 . 1 44 44 ARG N N 15 122.9736712 0.02011430382 . 1 . . . . . 44 ARG N . 53520 1
209 . 1 . 1 45 45 GLN H H 1 8.386454133 0.00128503518 . 1 . . . . . 45 GLN H . 53520 1
210 . 1 . 1 45 45 GLN C C 13 175.6620498 0.01380689731 . 1 . . . . . 45 GLN C . 53520 1
211 . 1 . 1 45 45 GLN CA C 13 55.46655909 0.01759423002 . 1 . . . . . 45 GLN CA . 53520 1
212 . 1 . 1 45 45 GLN CB C 13 29.3195769 0.004502856906 . 1 . . . . . 45 GLN CB . 53520 1
213 . 1 . 1 45 45 GLN N N 15 122.5990238 0.002980687069 . 1 . . . . . 45 GLN N . 53520 1
214 . 1 . 1 46 46 GLU H H 1 8.433799372 0.000224093553 . 1 . . . . . 46 GLU H . 53520 1
215 . 1 . 1 46 46 GLU C C 13 176.2815987 0.00538766672 . 1 . . . . . 46 GLU C . 53520 1
216 . 1 . 1 46 46 GLU CA C 13 56.07160839 0.03611915091 . 1 . . . . . 46 GLU CA . 53520 1
217 . 1 . 1 46 46 GLU CB C 13 30.24714252 0.01754936102 . 1 . . . . . 46 GLU CB . 53520 1
218 . 1 . 1 46 46 GLU N N 15 123.3443059 0.001711920043 . 1 . . . . . 46 GLU N . 53520 1
219 . 1 . 1 47 47 SER H H 1 8.323713353 0.0009415255872 . 1 . . . . . 47 SER H . 53520 1
220 . 1 . 1 47 47 SER C C 13 174.2145264 0.00542918069 . 1 . . . . . 47 SER C . 53520 1
221 . 1 . 1 47 47 SER CA C 13 58.12025941 0.02343282883 . 1 . . . . . 47 SER CA . 53520 1
222 . 1 . 1 47 47 SER CB C 13 63.49385041 0.002188557578 . 1 . . . . . 47 SER CB . 53520 1
223 . 1 . 1 47 47 SER N N 15 117.8500289 0.005527373261 . 1 . . . . . 47 SER N . 53520 1
224 . 1 . 1 48 48 LYS H H 1 8.241052211 0.0006469960395 . 1 . . . . . 48 LYS H . 53520 1
225 . 1 . 1 48 48 LYS C C 13 176.083789 0.004958042251 . 1 . . . . . 48 LYS C . 53520 1
226 . 1 . 1 48 48 LYS CA C 13 55.96737075 0.021296294 . 1 . . . . . 48 LYS CA . 53520 1
227 . 1 . 1 48 48 LYS CB C 13 32.79291578 0.01920609479 . 1 . . . . . 48 LYS CB . 53520 1
228 . 1 . 1 48 48 LYS N N 15 123.6413395 0.002697507884 . 1 . . . . . 48 LYS N . 53520 1
229 . 1 . 1 49 49 LYS H H 1 8.195285459 0.0004190353544 . 1 . . . . . 49 LYS H . 53520 1
230 . 1 . 1 49 49 LYS C C 13 176.14617 0.008610499102 . 1 . . . . . 49 LYS C . 53520 1
231 . 1 . 1 49 49 LYS CA C 13 55.72609472 0.04120277153 . 1 . . . . . 49 LYS CA . 53520 1
232 . 1 . 1 49 49 LYS CB C 13 32.6965796 0.02457028733 . 1 . . . . . 49 LYS CB . 53520 1
233 . 1 . 1 49 49 LYS N N 15 123.1817804 0.0021080034 . 1 . . . . . 49 LYS N . 53520 1
234 . 1 . 1 50 50 MET H H 1 8.306316796 0.0006222195758 . 1 . . . . . 50 MET H . 53520 1
235 . 1 . 1 50 50 MET C C 13 174.057934 . . 1 . . . . . 50 MET C . 53520 1
236 . 1 . 1 50 50 MET CA C 13 52.78399237 . . 1 . . . . . 50 MET CA . 53520 1
237 . 1 . 1 50 50 MET CB C 13 31.87162209 . . 1 . . . . . 50 MET CB . 53520 1
238 . 1 . 1 50 50 MET N N 15 123.9058354 0.006268943137 . 1 . . . . . 50 MET N . 53520 1
239 . 1 . 1 51 51 PRO C C 13 176.5128021 0.003082275391 . 1 . . . . . 51 PRO C . 53520 1
240 . 1 . 1 51 51 PRO CA C 13 62.60900497 0.0003662109375 . 1 . . . . . 51 PRO CA . 53520 1
241 . 1 . 1 51 51 PRO CB C 13 31.88616244 . . 1 . . . . . 51 PRO CB . 53520 1
242 . 1 . 1 52 52 VAL H H 1 8.13900876 0.0004988151439 . 1 . . . . . 52 VAL H . 53520 1
243 . 1 . 1 52 52 VAL C C 13 175.9013377 0.004643330854 . 1 . . . . . 52 VAL C . 53520 1
244 . 1 . 1 52 52 VAL CA C 13 61.91594857 0.05870613448 . 1 . . . . . 52 VAL CA . 53520 1
245 . 1 . 1 52 52 VAL CB C 13 32.64261157 0.02582038626 . 1 . . . . . 52 VAL CB . 53520 1
246 . 1 . 1 52 52 VAL N N 15 120.9824864 0.001183557855 . 1 . . . . . 52 VAL N . 53520 1
247 . 1 . 1 53 53 ALA H H 1 8.358954722 0.0003824381903 . 1 . . . . . 53 ALA H . 53520 1
248 . 1 . 1 53 53 ALA C C 13 177.9606111 0.005322468919 . 1 . . . . . 53 ALA C . 53520 1
249 . 1 . 1 53 53 ALA CA C 13 52.29633548 0.02320872219 . 1 . . . . . 53 ALA CA . 53520 1
250 . 1 . 1 53 53 ALA CB C 13 18.96222501 0.009165831047 . 1 . . . . . 53 ALA CB . 53520 1
251 . 1 . 1 53 53 ALA N N 15 128.6818005 0.004944860096 . 1 . . . . . 53 ALA N . 53520 1
252 . 1 . 1 54 54 GLY H H 1 8.292740791 0.0006800653636 . 1 . . . . . 54 GLY H . 53520 1
253 . 1 . 1 54 54 GLY C C 13 174.5273155 0.005743918576 . 1 . . . . . 54 GLY C . 53520 1
254 . 1 . 1 54 54 GLY CA C 13 44.89813581 0.08257220369 . 1 . . . . . 54 GLY CA . 53520 1
255 . 1 . 1 54 54 GLY N N 15 108.8046108 0.005933827964 . 1 . . . . . 54 GLY N . 53520 1
256 . 1 . 1 55 55 GLY H H 1 8.12002208 0.0009841606767 . 1 . . . . . 55 GLY H . 53520 1
257 . 1 . 1 55 55 GLY C C 13 173.9477258 0.005380545977 . 1 . . . . . 55 GLY C . 53520 1
258 . 1 . 1 55 55 GLY CA C 13 44.89125824 0.005981445312 . 1 . . . . . 55 GLY CA . 53520 1
259 . 1 . 1 55 55 GLY N N 15 108.4718492 0.003510685396 . 1 . . . . . 55 GLY N . 53520 1
260 . 1 . 1 56 56 LYS H H 1 8.088352399 0.0001313388314 . 1 . . . . . 56 LYS H . 53520 1
261 . 1 . 1 56 56 LYS C C 13 176.2461365 0.02401801848 . 1 . . . . . 56 LYS C . 53520 1
262 . 1 . 1 56 56 LYS CA C 13 55.88571403 0.03917545679 . 1 . . . . . 56 LYS CA . 53520 1
263 . 1 . 1 56 56 LYS CB C 13 32.88929437 0.01540629921 . 1 . . . . . 56 LYS CB . 53520 1
264 . 1 . 1 56 56 LYS N N 15 120.785241 0.001067188406 . 1 . . . . . 56 LYS N . 53520 1
265 . 1 . 1 57 57 ALA H H 1 8.234575006 0.0006402466039 . 1 . . . . . 57 ALA H . 53520 1
266 . 1 . 1 57 57 ALA C C 13 177.3060569 0.006029872975 . 1 . . . . . 57 ALA C . 53520 1
267 . 1 . 1 57 57 ALA CA C 13 52.27079726 0.017731604 . 1 . . . . . 57 ALA CA . 53520 1
268 . 1 . 1 57 57 ALA CB C 13 18.91827459 0.01087310648 . 1 . . . . . 57 ALA CB . 53520 1
269 . 1 . 1 57 57 ALA N N 15 125.032203 0.004376610626 . 1 . . . . . 57 ALA N . 53520 1
270 . 1 . 1 58 58 ASN H H 1 8.229648044 0.0007212032758 . 1 . . . . . 58 ASN H . 53520 1
271 . 1 . 1 58 58 ASN C C 13 175.2110051 0.004380591456 . 1 . . . . . 58 ASN C . 53520 1
272 . 1 . 1 58 58 ASN CA C 13 53.0643531 0.01367992142 . 1 . . . . . 58 ASN CA . 53520 1
273 . 1 . 1 58 58 ASN CB C 13 38.65720964 0.01538586163 . 1 . . . . . 58 ASN CB . 53520 1
274 . 1 . 1 58 58 ASN N N 15 118.2397137 0.003562399317 . 1 . . . . . 58 ASN N . 53520 1
275 . 1 . 1 59 59 LYS H H 1 8.174677235 0.000745804994 . 1 . . . . . 59 LYS H . 53520 1
276 . 1 . 1 59 59 LYS C C 13 176.0660698 0.003464505452 . 1 . . . . . 59 LYS C . 53520 1
277 . 1 . 1 59 59 LYS CA C 13 56.22638395 0.02944865098 . 1 . . . . . 59 LYS CA . 53520 1
278 . 1 . 1 59 59 LYS CB C 13 32.55025892 0.02058364402 . 1 . . . . . 59 LYS CB . 53520 1
279 . 1 . 1 59 59 LYS N N 15 121.7259305 0.002114546515 . 1 . . . . . 59 LYS N . 53520 1
280 . 1 . 1 60 60 ASP H H 1 8.172465907 0.0006486885629 . 1 . . . . . 60 ASP H . 53520 1
281 . 1 . 1 60 60 ASP C C 13 175.9646884 0.01613376162 . 1 . . . . . 60 ASP C . 53520 1
282 . 1 . 1 60 60 ASP CA C 13 54.31235987 0.01746998085 . 1 . . . . . 60 ASP CA . 53520 1
283 . 1 . 1 60 60 ASP CB C 13 40.8822853 0.01195005331 . 1 . . . . . 60 ASP CB . 53520 1
284 . 1 . 1 60 60 ASP N N 15 121.0792161 0.02108060139 . 1 . . . . . 60 ASP N . 53520 1
285 . 1 . 1 61 61 ARG H H 1 8.10467333 0.0006147719455 . 1 . . . . . 61 ARG H . 53520 1
286 . 1 . 1 61 61 ARG C C 13 176.427464 0.005156033643 . 1 . . . . . 61 ARG C . 53520 1
287 . 1 . 1 61 61 ARG CA C 13 55.78646906 0.04203856052 . 1 . . . . . 61 ARG CA . 53520 1
288 . 1 . 1 61 61 ARG CB C 13 30.3409868 0.0135779041 . 1 . . . . . 61 ARG CB . 53520 1
289 . 1 . 1 61 61 ARG N N 15 121.1249312 0.008117656847 . 1 . . . . . 61 ARG N . 53520 1
290 . 1 . 1 62 62 THR H H 1 8.139498332 0.0006042615175 . 1 . . . . . 62 THR H . 53520 1
291 . 1 . 1 62 62 THR C C 13 174.6204535 0.01343823978 . 1 . . . . . 62 THR C . 53520 1
292 . 1 . 1 62 62 THR CA C 13 62.25695452 0.01030897942 . 1 . . . . . 62 THR CA . 53520 1
293 . 1 . 1 62 62 THR CB C 13 69.43181706 0.01918645549 . 1 . . . . . 62 THR CB . 53520 1
294 . 1 . 1 62 62 THR N N 15 116.0210565 0.004566533611 . 1 . . . . . 62 THR N . 53520 1
295 . 1 . 1 63 63 GLU H H 1 8.381841792 0.0007547606419 . 1 . . . . . 63 GLU H . 53520 1
296 . 1 . 1 63 63 GLU C C 13 175.8481242 0.003498876537 . 1 . . . . . 63 GLU C . 53520 1
297 . 1 . 1 63 63 GLU CA C 13 56.36612066 0.0008775589077 . 1 . . . . . 63 GLU CA . 53520 1
298 . 1 . 1 63 63 GLU CB C 13 29.94940371 0.02395226703 . 1 . . . . . 63 GLU CB . 53520 1
299 . 1 . 1 63 63 GLU N N 15 122.6851271 0.004502797498 . 1 . . . . . 63 GLU N . 53520 1
300 . 1 . 1 64 64 ASP H H 1 8.141042475 0.001079850472 . 1 . . . . . 64 ASP H . 53520 1
301 . 1 . 1 64 64 ASP C C 13 176.0270737 0.001486140402 . 1 . . . . . 64 ASP C . 53520 1
302 . 1 . 1 64 64 ASP CA C 13 54.16378172 0.008531165945 . 1 . . . . . 64 ASP CA . 53520 1
303 . 1 . 1 64 64 ASP CB C 13 40.88249314 . . 1 . . . . . 64 ASP CB . 53520 1
304 . 1 . 1 64 64 ASP N N 15 121.6978654 0.004600771024 . 1 . . . . . 64 ASP N . 53520 1
305 . 1 . 1 65 65 LYS H H 1 8.116378834 0.0005812231892 . 1 . . . . . 65 LYS H . 53520 1
306 . 1 . 1 65 65 LYS C C 13 176.4634755 0.003584772324 . 1 . . . . . 65 LYS C . 53520 1
307 . 1 . 1 65 65 LYS CA C 13 56.08723068 0.05685576147 . 1 . . . . . 65 LYS CA . 53520 1
308 . 1 . 1 65 65 LYS CB C 13 32.57617569 0.008723386117 . 1 . . . . . 65 LYS CB . 53520 1
309 . 1 . 1 65 65 LYS N N 15 121.8067695 0.03665067466 . 1 . . . . . 65 LYS N . 53520 1
310 . 1 . 1 66 66 GLN H H 1 8.293340874 0.0007991276149 . 1 . . . . . 66 GLN H . 53520 1
311 . 1 . 1 66 66 GLN C C 13 175.6006868 0.004162539642 . 1 . . . . . 66 GLN C . 53520 1
312 . 1 . 1 66 66 GLN CA C 13 55.54529826 0.07411731235 . 1 . . . . . 66 GLN CA . 53520 1
313 . 1 . 1 66 66 GLN CB C 13 29.0026909 0.01651452312 . 1 . . . . . 66 GLN CB . 53520 1
314 . 1 . 1 66 66 GLN N N 15 121.0511683 0.0003537090488 . 1 . . . . . 66 GLN N . 53520 1
315 . 1 . 1 67 67 ASP H H 1 8.166673047 0.001378165774 . 1 . . . . . 67 ASP H . 53520 1
316 . 1 . 1 67 67 ASP C C 13 176.48163 0.005693027348 . 1 . . . . . 67 ASP C . 53520 1
317 . 1 . 1 67 67 ASP CA C 13 54.27132512 0.04647038498 . 1 . . . . . 67 ASP CA . 53520 1
318 . 1 . 1 67 67 ASP CB C 13 40.86787773 0.01703538631 . 1 . . . . . 67 ASP CB . 53520 1
319 . 1 . 1 67 67 ASP N N 15 121.1617416 0.005692904654 . 1 . . . . . 67 ASP N . 53520 1
320 . 1 . 1 68 68 GLY H H 1 8.147687523 0.0005556470946 . 1 . . . . . 68 GLY H . 53520 1
321 . 1 . 1 68 68 GLY C C 13 173.8369524 0.01304463061 . 1 . . . . . 68 GLY C . 53520 1
322 . 1 . 1 68 68 GLY CA C 13 45.01811992 0.006237905044 . 1 . . . . . 68 GLY CA . 53520 1
323 . 1 . 1 68 68 GLY N N 15 108.7970888 0.007337750164 . 1 . . . . . 68 GLY N . 53520 1
324 . 1 . 1 69 69 MET H H 1 7.941080827 0.0005915655446 . 1 . . . . . 69 MET H . 53520 1
325 . 1 . 1 69 69 MET C C 13 174.157729 . . 1 . . . . . 69 MET C . 53520 1
326 . 1 . 1 69 69 MET CA C 13 53.30190682 . . 1 . . . . . 69 MET CA . 53520 1
327 . 1 . 1 69 69 MET CB C 13 31.88200952 . . 1 . . . . . 69 MET CB . 53520 1
328 . 1 . 1 69 69 MET N N 15 120.6392309 0.005155466857 . 1 . . . . . 69 MET N . 53520 1
329 . 1 . 1 70 70 PRO C C 13 177.4597588 0.007324796644 . 1 . . . . . 70 PRO C . 53520 1
330 . 1 . 1 70 70 PRO CA C 13 63.32561556 0.006992192684 . 1 . . . . . 70 PRO CA . 53520 1
331 . 1 . 1 70 70 PRO CB C 13 31.73588401 0.01209982381 . 1 . . . . . 70 PRO CB . 53520 1
332 . 1 . 1 71 71 GLY H H 1 8.333038339 0.0007681377093 . 1 . . . . . 71 GLY H . 53520 1
333 . 1 . 1 71 71 GLY C C 13 174.1031678 0.005863399415 . 1 . . . . . 71 GLY C . 53520 1
334 . 1 . 1 71 71 GLY CA C 13 45.07599817 0.003966342603 . 1 . . . . . 71 GLY CA . 53520 1
335 . 1 . 1 71 71 GLY N N 15 109.179218 0.004467298179 . 1 . . . . . 71 GLY N . 53520 1
336 . 1 . 1 72 72 ARG H H 1 7.910560049 0.0007765593289 . 1 . . . . . 72 ARG H . 53520 1
337 . 1 . 1 72 72 ARG C C 13 176.2792472 0.005608696085 . 1 . . . . . 72 ARG C . 53520 1
338 . 1 . 1 72 72 ARG CA C 13 55.73695539 0.04169679452 . 1 . . . . . 72 ARG CA . 53520 1
339 . 1 . 1 72 72 ARG CB C 13 30.4371854 0.004133806754 . 1 . . . . . 72 ARG CB . 53520 1
340 . 1 . 1 72 72 ARG N N 15 120.1436782 0.005932657457 . 1 . . . . . 72 ARG N . 53520 1
341 . 1 . 1 73 73 SER H H 1 8.175854672 0.002527655829 . 1 . . . . . 73 SER H . 53520 1
342 . 1 . 1 73 73 SER C C 13 174.3854268 0.009871955621 . 1 . . . . . 73 SER C . 53520 1
343 . 1 . 1 73 73 SER CA C 13 58.17614174 0.02360725403 . 1 . . . . . 73 SER CA . 53520 1
344 . 1 . 1 73 73 SER CB C 13 63.38110733 0.008918762207 . 1 . . . . . 73 SER CB . 53520 1
345 . 1 . 1 73 73 SER N N 15 116.7027996 0.01048356196 . 1 . . . . . 73 SER N . 53520 1
346 . 1 . 1 74 74 TRP H H 1 8.021519939 0.001638021022 . 1 . . . . . 74 TRP H . 53520 1
347 . 1 . 1 74 74 TRP C C 13 176.0397878 0.005314834409 . 1 . . . . . 74 TRP C . 53520 1
348 . 1 . 1 74 74 TRP CA C 13 57.37339104 0.02915979841 . 1 . . . . . 74 TRP CA . 53520 1
349 . 1 . 1 74 74 TRP CB C 13 29.22327884 0.002732741648 . 1 . . . . . 74 TRP CB . 53520 1
350 . 1 . 1 74 74 TRP N N 15 123.0652095 0.006223302281 . 1 . . . . . 74 TRP N . 53520 1
351 . 1 . 1 75 75 ALA H H 1 7.860527248 0.0006330365786 . 1 . . . . . 75 ALA H . 53520 1
352 . 1 . 1 75 75 ALA C C 13 177.5375477 0.005426845298 . 1 . . . . . 75 ALA C . 53520 1
353 . 1 . 1 75 75 ALA CA C 13 52.57487216 0.02709904902 . 1 . . . . . 75 ALA CA . 53520 1
354 . 1 . 1 75 75 ALA CB C 13 18.81760717 0.007451745122 . 1 . . . . . 75 ALA CB . 53520 1
355 . 1 . 1 75 75 ALA N N 15 124.4678169 0.002808377692 . 1 . . . . . 75 ALA N . 53520 1
356 . 1 . 1 76 76 SER H H 1 7.898255994 0.0007300135997 . 1 . . . . . 76 SER H . 53520 1
357 . 1 . 1 76 76 SER C C 13 174.5040174 0.01532799441 . 1 . . . . . 76 SER C . 53520 1
358 . 1 . 1 76 76 SER CA C 13 58.32758226 0.04380038169 . 1 . . . . . 76 SER CA . 53520 1
359 . 1 . 1 76 76 SER CB C 13 63.38809179 0.008435592596 . 1 . . . . . 76 SER CB . 53520 1
360 . 1 . 1 76 76 SER N N 15 114.5515929 0.00591744316 . 1 . . . . . 76 SER N . 53520 1
361 . 1 . 1 77 77 LYS H H 1 8.023820162 0.0008468486049 . 1 . . . . . 77 LYS H . 53520 1
362 . 1 . 1 77 77 LYS C C 13 176.3109833 0.007115596642 . 1 . . . . . 77 LYS C . 53520 1
363 . 1 . 1 77 77 LYS CA C 13 56.24218022 0.007784194316 . 1 . . . . . 77 LYS CA . 53520 1
364 . 1 . 1 77 77 LYS CB C 13 32.66958694 0.003700239757 . 1 . . . . . 77 LYS CB . 53520 1
365 . 1 . 1 77 77 LYS N N 15 122.9799253 0.02384663496 . 1 . . . . . 77 LYS N . 53520 1
366 . 1 . 1 78 78 ARG H H 1 8.094166362 0.0007256541769 . 1 . . . . . 78 ARG H . 53520 1
367 . 1 . 1 78 78 ARG C C 13 176.3945923 0.002960205078 . 1 . . . . . 78 ARG C . 53520 1
368 . 1 . 1 78 78 ARG CA C 13 56.11353683 0.03689424463 . 1 . . . . . 78 ARG CA . 53520 1
369 . 1 . 1 78 78 ARG CB C 13 30.4319816 0.01587714877 . 1 . . . . . 78 ARG CB . 53520 1
370 . 1 . 1 78 78 ARG N N 15 122.3263436 0.006233826669 . 1 . . . . . 78 ARG N . 53520 1
371 . 1 . 1 79 79 VAL H H 1 8.057491072 0.001766406382 . 1 . . . . . 79 VAL H . 53520 1
372 . 1 . 1 79 79 VAL C C 13 176.2112624 0.01440910561 . 1 . . . . . 79 VAL C . 53520 1
373 . 1 . 1 79 79 VAL CA C 13 62.39624105 0.02024176454 . 1 . . . . . 79 VAL CA . 53520 1
374 . 1 . 1 79 79 VAL CB C 13 32.51926939 0.02961929551 . 1 . . . . . 79 VAL CB . 53520 1
375 . 1 . 1 79 79 VAL N N 15 121.9696395 0.02694016004 . 1 . . . . . 79 VAL N . 53520 1
376 . 1 . 1 80 80 SER H H 1 8.220731888 0.0007161660461 . 1 . . . . . 80 SER H . 53520 1
377 . 1 . 1 80 80 SER C C 13 174.5243003 0.005201988753 . 1 . . . . . 80 SER C . 53520 1
378 . 1 . 1 80 80 SER CA C 13 58.33807601 0.03050588434 . 1 . . . . . 80 SER CA . 53520 1
379 . 1 . 1 80 80 SER CB C 13 63.40159349 0.007604356181 . 1 . . . . . 80 SER CB . 53520 1
380 . 1 . 1 80 80 SER N N 15 119.1442141 0.005305251736 . 1 . . . . . 80 SER N . 53520 1
381 . 1 . 1 81 81 GLU H H 1 8.322440784 0.000629720553 . 1 . . . . . 81 GLU H . 53520 1
382 . 1 . 1 81 81 GLU C C 13 176.5996728 0.00588816935 . 1 . . . . . 81 GLU C . 53520 1
383 . 1 . 1 81 81 GLU CA C 13 56.65097295 0.02085980887 . 1 . . . . . 81 GLU CA . 53520 1
384 . 1 . 1 81 81 GLU CB C 13 30.01285923 0.0405673646 . 1 . . . . . 81 GLU CB . 53520 1
385 . 1 . 1 81 81 GLU N N 15 122.8897431 0.003580887178 . 1 . . . . . 81 GLU N . 53520 1
386 . 1 . 1 82 82 SER H H 1 8.157614906 0.001802862777 . 1 . . . . . 82 SER H . 53520 1
387 . 1 . 1 82 82 SER C C 13 174.5572848 0.008504383966 . 1 . . . . . 82 SER C . 53520 1
388 . 1 . 1 82 82 SER CA C 13 58.51032178 0.04760413867 . 1 . . . . . 82 SER CA . 53520 1
389 . 1 . 1 82 82 SER CB C 13 63.34302515 0.04944423968 . 1 . . . . . 82 SER CB . 53520 1
390 . 1 . 1 82 82 SER N N 15 116.8375691 0.06404005108 . 1 . . . . . 82 SER N . 53520 1
391 . 1 . 1 83 83 VAL H H 1 7.909635643 0.0005930543484 . 1 . . . . . 83 VAL H . 53520 1
392 . 1 . 1 83 83 VAL C C 13 176.3342714 0.00876272684 . 1 . . . . . 83 VAL C . 53520 1
393 . 1 . 1 83 83 VAL CA C 13 62.66570882 0.01737860987 . 1 . . . . . 83 VAL CA . 53520 1
394 . 1 . 1 83 83 VAL CB C 13 32.18562846 0.04888983008 . 1 . . . . . 83 VAL CB . 53520 1
395 . 1 . 1 83 83 VAL N N 15 122.3058464 0.006018042818 . 1 . . . . . 83 VAL N . 53520 1
396 . 1 . 1 84 84 LYS H H 1 8.100781372 0.0006066219903 . 1 . . . . . 84 LYS H . 53520 1
397 . 1 . 1 84 84 LYS C C 13 176.3398328 0.002390215307 . 1 . . . . . 84 LYS C . 53520 1
398 . 1 . 1 84 84 LYS CA C 13 56.48354008 0.02764227063 . 1 . . . . . 84 LYS CA . 53520 1
399 . 1 . 1 84 84 LYS CB C 13 32.6165987 0.0306275234 . 1 . . . . . 84 LYS CB . 53520 1
400 . 1 . 1 84 84 LYS N N 15 124.7033823 0.003786086796 . 1 . . . . . 84 LYS N . 53520 1
401 . 1 . 1 85 85 ALA H H 1 8.017266768 0.0007514600175 . 1 . . . . . 85 ALA H . 53520 1
402 . 1 . 1 85 85 ALA C C 13 177.5372063 0.005272678576 . 1 . . . . . 85 ALA C . 53520 1
403 . 1 . 1 85 85 ALA CA C 13 52.38485556 0.00485303505 . 1 . . . . . 85 ALA CA . 53520 1
404 . 1 . 1 85 85 ALA CB C 13 18.81096237 0.002892047447 . 1 . . . . . 85 ALA CB . 53520 1
405 . 1 . 1 85 85 ALA N N 15 124.5085287 0.004737377335 . 1 . . . . . 85 ALA N . 53520 1
406 . 1 . 1 86 86 LEU H H 1 7.90986574 0.0005689031509 . 1 . . . . . 86 LEU H . 53520 1
407 . 1 . 1 86 86 LEU C C 13 176.9702997 0.002739800585 . 1 . . . . . 86 LEU C . 53520 1
408 . 1 . 1 86 86 LEU CA C 13 54.98687912 0.01216905336 . 1 . . . . . 86 LEU CA . 53520 1
409 . 1 . 1 86 86 LEU CB C 13 42.0262226 0.04097484257 . 1 . . . . . 86 LEU CB . 53520 1
410 . 1 . 1 86 86 LEU N N 15 121.0536747 0.002364787726 . 1 . . . . . 86 LEU N . 53520 1
411 . 1 . 1 87 87 LEU H H 1 7.918540182 0.0009789503222 . 1 . . . . . 87 LEU H . 53520 1
412 . 1 . 1 87 87 LEU C C 13 176.6944476 0.002687767585 . 1 . . . . . 87 LEU C . 53520 1
413 . 1 . 1 87 87 LEU CA C 13 54.7235317 0.01635776169 . 1 . . . . . 87 LEU CA . 53520 1
414 . 1 . 1 87 87 LEU CB C 13 41.94459417 0.01879031072 . 1 . . . . . 87 LEU CB . 53520 1
415 . 1 . 1 87 87 LEU N N 15 122.6203518 0.004577595194 . 1 . . . . . 87 LEU N . 53520 1
416 . 1 . 1 88 88 LEU H H 1 7.970043246 0.0007926877979 . 1 . . . . . 88 LEU H . 53520 1
417 . 1 . 1 88 88 LEU C C 13 176.0058256 0.004909828816 . 1 . . . . . 88 LEU C . 53520 1
418 . 1 . 1 88 88 LEU CA C 13 54.76433663 0.02250455812 . 1 . . . . . 88 LEU CA . 53520 1
419 . 1 . 1 88 88 LEU CB C 13 41.94833666 0.003143553115 . 1 . . . . . 88 LEU CB . 53520 1
420 . 1 . 1 88 88 LEU N N 15 123.5848044 0.00526786696 . 1 . . . . . 88 LEU N . 53520 1
421 . 1 . 1 89 89 LYS H H 1 7.626190231 0.001173002018 . 1 . . . . . 89 LYS H . 53520 1
422 . 1 . 1 89 89 LYS C C 13 180.951419 . . 1 . . . . . 89 LYS C . 53520 1
423 . 1 . 1 89 89 LYS CA C 13 57.27709707 . . 1 . . . . . 89 LYS CA . 53520 1
424 . 1 . 1 89 89 LYS CB C 13 33.49143867 . . 1 . . . . . 89 LYS CB . 53520 1
425 . 1 . 1 89 89 LYS N N 15 126.755711 0.007473373841 . 1 . . . . . 89 LYS N . 53520 1
stop_
save_