###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
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 50816
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name '1H 15N and 13C chemical shift assignment of JIP1-SH3-V517A'
_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' . . . 50816 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 . . 50816 1
2 $software_2 . . 50816 1
3 $software_3 . . 50816 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 3 3 MET CA C 13 55.603 . . 1 . . . . . 489 MET CA . 50816 1
2 . 1 . 1 3 3 MET CB C 13 33.396 . . 1 . . . . . 489 MET CB . 50816 1
3 . 1 . 1 4 4 GLU H H 1 8.12 . . 1 . . . . . 490 GLU H . 50816 1
4 . 1 . 1 4 4 GLU CA C 13 55.618 . . 1 . . . . . 490 GLU CA . 50816 1
5 . 1 . 1 4 4 GLU CB C 13 31.219 . . 1 . . . . . 490 GLU CB . 50816 1
6 . 1 . 1 4 4 GLU N N 15 121.787 . . 1 . . . . . 490 GLU N . 50816 1
7 . 1 . 1 5 5 GLN H H 1 8.311 . . 1 . . . . . 491 GLN H . 50816 1
8 . 1 . 1 5 5 GLN CA C 13 56.538 . . 1 . . . . . 491 GLN CA . 50816 1
9 . 1 . 1 5 5 GLN CB C 13 29.31 . . 1 . . . . . 491 GLN CB . 50816 1
10 . 1 . 1 5 5 GLN N N 15 120.758 . . 1 . . . . . 491 GLN N . 50816 1
11 . 1 . 1 6 6 THR H H 1 9.153 . . 1 . . . . . 492 THR H . 50816 1
12 . 1 . 1 6 6 THR CA C 13 62.675 . . 1 . . . . . 492 THR CA . 50816 1
13 . 1 . 1 6 6 THR CB C 13 69.494 . . 1 . . . . . 492 THR CB . 50816 1
14 . 1 . 1 6 6 THR N N 15 114.265 . . 1 . . . . . 492 THR N . 50816 1
15 . 1 . 1 7 7 HIS H H 1 8.334 . . 1 . . . . . 493 HIS H . 50816 1
16 . 1 . 1 7 7 HIS CA C 13 56.486 . . 1 . . . . . 493 HIS CA . 50816 1
17 . 1 . 1 7 7 HIS CB C 13 37.32 . . 1 . . . . . 493 HIS CB . 50816 1
18 . 1 . 1 7 7 HIS N N 15 121.371 . . 1 . . . . . 493 HIS N . 50816 1
19 . 1 . 1 8 8 ARG H H 1 9.197 . . 1 . . . . . 494 ARG H . 50816 1
20 . 1 . 1 8 8 ARG CA C 13 54.012 . . 1 . . . . . 494 ARG CA . 50816 1
21 . 1 . 1 8 8 ARG CB C 13 34.656 . . 1 . . . . . 494 ARG CB . 50816 1
22 . 1 . 1 8 8 ARG N N 15 121.411 . . 1 . . . . . 494 ARG N . 50816 1
23 . 1 . 1 9 9 ALA H H 1 8.516 . . 1 . . . . . 495 ALA H . 50816 1
24 . 1 . 1 9 9 ALA CA C 13 51.967 . . 1 . . . . . 495 ALA CA . 50816 1
25 . 1 . 1 9 9 ALA CB C 13 21.104 . . 1 . . . . . 495 ALA CB . 50816 1
26 . 1 . 1 9 9 ALA N N 15 126.445 . . 1 . . . . . 495 ALA N . 50816 1
27 . 1 . 1 10 10 ILE H H 1 8.667 . . 1 . . . . . 496 ILE H . 50816 1
28 . 1 . 1 10 10 ILE CA C 13 60.865 . . 1 . . . . . 496 ILE CA . 50816 1
29 . 1 . 1 10 10 ILE CB C 13 39.617 . . 1 . . . . . 496 ILE CB . 50816 1
30 . 1 . 1 10 10 ILE N N 15 116.496 . . 1 . . . . . 496 ILE N . 50816 1
31 . 1 . 1 11 11 PHE H H 1 6.984 . . 1 . . . . . 497 PHE H . 50816 1
32 . 1 . 1 11 11 PHE CA C 13 55.895 . . 1 . . . . . 497 PHE CA . 50816 1
33 . 1 . 1 11 11 PHE CB C 13 43.103 . . 1 . . . . . 497 PHE CB . 50816 1
34 . 1 . 1 11 11 PHE N N 15 118.116 . . 1 . . . . . 497 PHE N . 50816 1
35 . 1 . 1 12 12 ARG H H 1 7.38 . . 1 . . . . . 498 ARG H . 50816 1
36 . 1 . 1 12 12 ARG CA C 13 55.942 . . 1 . . . . . 498 ARG CA . 50816 1
37 . 1 . 1 12 12 ARG CB C 13 31.056 . . 1 . . . . . 498 ARG CB . 50816 1
38 . 1 . 1 12 12 ARG N N 15 120.32 . . 1 . . . . . 498 ARG N . 50816 1
39 . 1 . 1 13 13 PHE H H 1 8.79 . . 1 . . . . . 499 PHE H . 50816 1
40 . 1 . 1 13 13 PHE CA C 13 57.063 . . 1 . . . . . 499 PHE CA . 50816 1
41 . 1 . 1 13 13 PHE CB C 13 42.917 . . 1 . . . . . 499 PHE CB . 50816 1
42 . 1 . 1 13 13 PHE N N 15 127.429 . . 1 . . . . . 499 PHE N . 50816 1
43 . 1 . 1 14 14 VAL H H 1 8.453 . . 1 . . . . . 500 VAL H . 50816 1
44 . 1 . 1 14 14 VAL CA C 13 59.082 . . 1 . . . . . 500 VAL CA . 50816 1
45 . 1 . 1 14 14 VAL CB C 13 32.731 . . 1 . . . . . 500 VAL CB . 50816 1
46 . 1 . 1 14 14 VAL N N 15 130.168 . . 1 . . . . . 500 VAL N . 50816 1
47 . 1 . 1 15 15 PRO CA C 13 63.631 . . 1 . . . . . 501 PRO CA . 50816 1
48 . 1 . 1 15 15 PRO CB C 13 34.351 . . 1 . . . . . 501 PRO CB . 50816 1
49 . 1 . 1 16 16 ARG H H 1 9.118 . . 1 . . . . . 502 ARG H . 50816 1
50 . 1 . 1 16 16 ARG CA C 13 56.191 . . 1 . . . . . 502 ARG CA . 50816 1
51 . 1 . 1 16 16 ARG CB C 13 32.19 . . 1 . . . . . 502 ARG CB . 50816 1
52 . 1 . 1 16 16 ARG N N 15 121.264 . . 1 . . . . . 502 ARG N . 50816 1
53 . 1 . 1 17 17 HIS H H 1 8.536 . . 1 . . . . . 503 HIS H . 50816 1
54 . 1 . 1 17 17 HIS CA C 13 54.599 . . 1 . . . . . 503 HIS CA . 50816 1
55 . 1 . 1 17 17 HIS CB C 13 30.28 . . 1 . . . . . 503 HIS CB . 50816 1
56 . 1 . 1 17 17 HIS N N 15 118.984 . . 1 . . . . . 503 HIS N . 50816 1
57 . 1 . 1 18 18 GLU H H 1 8.986 . . 1 . . . . . 504 GLU H . 50816 1
58 . 1 . 1 18 18 GLU CA C 13 59.528 . . 1 . . . . . 504 GLU CA . 50816 1
59 . 1 . 1 18 18 GLU CB C 13 29.906 . . 1 . . . . . 504 GLU CB . 50816 1
60 . 1 . 1 18 18 GLU N N 15 121.474 . . 1 . . . . . 504 GLU N . 50816 1
61 . 1 . 1 19 19 ASP H H 1 8.855 . . 1 . . . . . 505 ASP H . 50816 1
62 . 1 . 1 19 19 ASP CA C 13 52.911 . . 1 . . . . . 505 ASP CA . 50816 1
63 . 1 . 1 19 19 ASP CB C 13 39.542 . . 1 . . . . . 505 ASP CB . 50816 1
64 . 1 . 1 19 19 ASP N N 15 114.905 . . 1 . . . . . 505 ASP N . 50816 1
65 . 1 . 1 20 20 GLU H H 1 7.445 . . 1 . . . . . 506 GLU H . 50816 1
66 . 1 . 1 20 20 GLU CA C 13 55.75 . . 1 . . . . . 506 GLU CA . 50816 1
67 . 1 . 1 20 20 GLU CB C 13 32.532 . . 1 . . . . . 506 GLU CB . 50816 1
68 . 1 . 1 20 20 GLU N N 15 120.5 . . 1 . . . . . 506 GLU N . 50816 1
69 . 1 . 1 21 21 LEU H H 1 8.639 . . 1 . . . . . 507 LEU H . 50816 1
70 . 1 . 1 21 21 LEU CA C 13 52.803 . . 1 . . . . . 507 LEU CA . 50816 1
71 . 1 . 1 21 21 LEU CB C 13 46.232 . . 1 . . . . . 507 LEU CB . 50816 1
72 . 1 . 1 21 21 LEU N N 15 123.827 . . 1 . . . . . 507 LEU N . 50816 1
73 . 1 . 1 22 22 GLU H H 1 8.213 . . 1 . . . . . 508 GLU H . 50816 1
74 . 1 . 1 22 22 GLU CA C 13 56.924 . . 1 . . . . . 508 GLU CA . 50816 1
75 . 1 . 1 22 22 GLU CB C 13 29.784 . . 1 . . . . . 508 GLU CB . 50816 1
76 . 1 . 1 22 22 GLU N N 15 123.429 . . 1 . . . . . 508 GLU N . 50816 1
77 . 1 . 1 23 23 LEU H H 1 8.869 . . 1 . . . . . 509 LEU H . 50816 1
78 . 1 . 1 23 23 LEU CA C 13 53.866 . . 1 . . . . . 509 LEU CA . 50816 1
79 . 1 . 1 23 23 LEU CB C 13 45.495 . . 1 . . . . . 509 LEU CB . 50816 1
80 . 1 . 1 23 23 LEU N N 15 122.985 . . 1 . . . . . 509 LEU N . 50816 1
81 . 1 . 1 24 24 GLU H H 1 8.481 . . 1 . . . . . 510 GLU H . 50816 1
82 . 1 . 1 24 24 GLU CA C 13 54.187 . . 1 . . . . . 510 GLU CA . 50816 1
83 . 1 . 1 24 24 GLU CB C 13 31.039 . . 1 . . . . . 510 GLU CB . 50816 1
84 . 1 . 1 24 24 GLU N N 15 123.684 . . 1 . . . . . 510 GLU N . 50816 1
85 . 1 . 1 25 25 VAL H H 1 8.926 . . 1 . . . . . 511 VAL H . 50816 1
86 . 1 . 1 25 25 VAL CA C 13 66.51 . . 1 . . . . . 511 VAL CA . 50816 1
87 . 1 . 1 25 25 VAL CB C 13 31.034 . . 1 . . . . . 511 VAL CB . 50816 1
88 . 1 . 1 25 25 VAL N N 15 122.192 . . 1 . . . . . 511 VAL N . 50816 1
89 . 1 . 1 26 26 ASP H H 1 8.4 . . 1 . . . . . 512 ASP H . 50816 1
90 . 1 . 1 26 26 ASP CA C 13 57.164 . . 1 . . . . . 512 ASP CA . 50816 1
91 . 1 . 1 26 26 ASP CB C 13 39.102 . . 1 . . . . . 512 ASP CB . 50816 1
92 . 1 . 1 26 26 ASP N N 15 120.128 . . 1 . . . . . 512 ASP N . 50816 1
93 . 1 . 1 27 27 ASP H H 1 8.304 . . 1 . . . . . 513 ASP H . 50816 1
94 . 1 . 1 27 27 ASP CA C 13 54.061 . . 1 . . . . . 513 ASP CA . 50816 1
95 . 1 . 1 27 27 ASP CB C 13 39.856 . . 1 . . . . . 513 ASP CB . 50816 1
96 . 1 . 1 27 27 ASP N N 15 122.738 . . 1 . . . . . 513 ASP N . 50816 1
97 . 1 . 1 28 28 PRO CA C 13 61.991 . . 1 . . . . . 514 PRO CA . 50816 1
98 . 1 . 1 28 28 PRO CB C 13 31.352 . . 1 . . . . . 514 PRO CB . 50816 1
99 . 1 . 1 29 29 LEU H H 1 8.198 . . 1 . . . . . 515 LEU H . 50816 1
100 . 1 . 1 29 29 LEU CA C 13 52.889 . . 1 . . . . . 515 LEU CA . 50816 1
101 . 1 . 1 29 29 LEU CB C 13 47.282 . . 1 . . . . . 515 LEU CB . 50816 1
102 . 1 . 1 29 29 LEU N N 15 121.294 . . 1 . . . . . 515 LEU N . 50816 1
103 . 1 . 1 30 30 LEU H H 1 8.901 . . 1 . . . . . 516 LEU H . 50816 1
104 . 1 . 1 30 30 LEU CA C 13 54.937 . . 1 . . . . . 516 LEU CA . 50816 1
105 . 1 . 1 30 30 LEU CB C 13 43.938 . . 1 . . . . . 516 LEU CB . 50816 1
106 . 1 . 1 30 30 LEU N N 15 125.082 . . 1 . . . . . 516 LEU N . 50816 1
107 . 1 . 1 31 31 ALA H H 1 9.099 . . 1 . . . . . 517 ALA H . 50816 1
108 . 1 . 1 31 31 ALA CA C 13 51.535 . . 1 . . . . . 517 ALA CA . 50816 1
109 . 1 . 1 31 31 ALA CB C 13 21.5 . . 1 . . . . . 517 ALA CB . 50816 1
110 . 1 . 1 31 31 ALA N N 15 130.082 . . 1 . . . . . 517 ALA N . 50816 1
111 . 1 . 1 32 32 GLU H H 1 8.683 . . 1 . . . . . 518 GLU H . 50816 1
112 . 1 . 1 32 32 GLU CA C 13 56.163 . . 1 . . . . . 518 GLU CA . 50816 1
113 . 1 . 1 32 32 GLU CB C 13 32.02 . . 1 . . . . . 518 GLU CB . 50816 1
114 . 1 . 1 32 32 GLU N N 15 121.199 . . 1 . . . . . 518 GLU N . 50816 1
115 . 1 . 1 33 33 LEU CA C 13 55.584 . . 1 . . . . . 519 LEU CA . 50816 1
116 . 1 . 1 33 33 LEU CB C 13 43.136 . . 1 . . . . . 519 LEU CB . 50816 1
117 . 1 . 1 34 34 GLN H H 1 8.585 . . 1 . . . . . 520 GLN H . 50816 1
118 . 1 . 1 34 34 GLN CA C 13 55.101 . . 1 . . . . . 520 GLN CA . 50816 1
119 . 1 . 1 34 34 GLN CB C 13 28.277 . . 1 . . . . . 520 GLN CB . 50816 1
120 . 1 . 1 34 34 GLN N N 15 125.467 . . 1 . . . . . 520 GLN N . 50816 1
121 . 1 . 1 35 35 ALA H H 1 8.119 . . 1 . . . . . 521 ALA H . 50816 1
122 . 1 . 1 35 35 ALA CA C 13 53.059 . . 1 . . . . . 521 ALA CA . 50816 1
123 . 1 . 1 35 35 ALA CB C 13 19.688 . . 1 . . . . . 521 ALA CB . 50816 1
124 . 1 . 1 35 35 ALA N N 15 126.38 . . 1 . . . . . 521 ALA N . 50816 1
125 . 1 . 1 36 36 GLU H H 1 8.765 . . 1 . . . . . 522 GLU H . 50816 1
126 . 1 . 1 36 36 GLU CA C 13 58.134 . . 1 . . . . . 522 GLU CA . 50816 1
127 . 1 . 1 36 36 GLU CB C 13 29.462 . . 1 . . . . . 522 GLU CB . 50816 1
128 . 1 . 1 36 36 GLU N N 15 118.28 . . 1 . . . . . 522 GLU N . 50816 1
129 . 1 . 1 37 37 ASP H H 1 7.775 . . 1 . . . . . 523 ASP H . 50816 1
130 . 1 . 1 37 37 ASP CA C 13 53.061 . . 1 . . . . . 523 ASP CA . 50816 1
131 . 1 . 1 37 37 ASP CB C 13 40.229 . . 1 . . . . . 523 ASP CB . 50816 1
132 . 1 . 1 37 37 ASP N N 15 115.725 . . 1 . . . . . 523 ASP N . 50816 1
133 . 1 . 1 38 38 TYR H H 1 8.133 . . 1 . . . . . 524 TYR H . 50816 1
134 . 1 . 1 38 38 TYR CA C 13 60.552 . . 1 . . . . . 524 TYR CA . 50816 1
135 . 1 . 1 38 38 TYR CB C 13 35.137 . . 1 . . . . . 524 TYR CB . 50816 1
136 . 1 . 1 38 38 TYR N N 15 112.432 . . 1 . . . . . 524 TYR N . 50816 1
137 . 1 . 1 39 39 TRP H H 1 7.427 . . 1 . . . . . 525 TRP H . 50816 1
138 . 1 . 1 39 39 TRP CA C 13 57.183 . . 1 . . . . . 525 TRP CA . 50816 1
139 . 1 . 1 39 39 TRP CB C 13 29.717 . . 1 . . . . . 525 TRP CB . 50816 1
140 . 1 . 1 39 39 TRP N N 15 117.556 . . 1 . . . . . 525 TRP N . 50816 1
141 . 1 . 1 40 40 TYR H H 1 8.607 . . 1 . . . . . 526 TYR H . 50816 1
142 . 1 . 1 40 40 TYR CA C 13 56.912 . . 1 . . . . . 526 TYR CA . 50816 1
143 . 1 . 1 40 40 TYR CB C 13 41.06 . . 1 . . . . . 526 TYR CB . 50816 1
144 . 1 . 1 40 40 TYR N N 15 118.664 . . 1 . . . . . 526 TYR N . 50816 1
145 . 1 . 1 41 41 GLU H H 1 8.305 . . 1 . . . . . 527 GLU H . 50816 1
146 . 1 . 1 41 41 GLU CA C 13 55.89 . . 1 . . . . . 527 GLU CA . 50816 1
147 . 1 . 1 41 41 GLU CB C 13 31.166 . . 1 . . . . . 527 GLU CB . 50816 1
148 . 1 . 1 41 41 GLU N N 15 118.86 . . 1 . . . . . 527 GLU N . 50816 1
149 . 1 . 1 42 42 ALA H H 1 9.309 . . 1 . . . . . 528 ALA H . 50816 1
150 . 1 . 1 42 42 ALA CA C 13 51.337 . . 1 . . . . . 528 ALA CA . 50816 1
151 . 1 . 1 42 42 ALA CB C 13 26.058 . . 1 . . . . . 528 ALA CB . 50816 1
152 . 1 . 1 42 42 ALA N N 15 126.848 . . 1 . . . . . 528 ALA N . 50816 1
153 . 1 . 1 43 43 TYR H H 1 8.622 . . 1 . . . . . 529 TYR H . 50816 1
154 . 1 . 1 43 43 TYR CA C 13 55.923 . . 1 . . . . . 529 TYR CA . 50816 1
155 . 1 . 1 43 43 TYR CB C 13 41.65 . . 1 . . . . . 529 TYR CB . 50816 1
156 . 1 . 1 43 43 TYR N N 15 119.107 . . 1 . . . . . 529 TYR N . 50816 1
157 . 1 . 1 44 44 ASN H H 1 8.845 . . 1 . . . . . 530 ASN H . 50816 1
158 . 1 . 1 44 44 ASN CA C 13 52.558 . . 1 . . . . . 530 ASN CA . 50816 1
159 . 1 . 1 44 44 ASN CB C 13 40.102 . . 1 . . . . . 530 ASN CB . 50816 1
160 . 1 . 1 44 44 ASN N N 15 125.562 . . 1 . . . . . 530 ASN N . 50816 1
161 . 1 . 1 45 45 MET H H 1 8.76 . . 1 . . . . . 531 MET H . 50816 1
162 . 1 . 1 45 45 MET CA C 13 57.941 . . 1 . . . . . 531 MET CA . 50816 1
163 . 1 . 1 45 45 MET CB C 13 33.374 . . 1 . . . . . 531 MET CB . 50816 1
164 . 1 . 1 45 45 MET N N 15 123.019 . . 1 . . . . . 531 MET N . 50816 1
165 . 1 . 1 46 46 ARG H H 1 8.622 . . 1 . . . . . 532 ARG H . 50816 1
166 . 1 . 1 46 46 ARG CA C 13 58.939 . . 1 . . . . . 532 ARG CA . 50816 1
167 . 1 . 1 46 46 ARG CB C 13 30.324 . . 1 . . . . . 532 ARG CB . 50816 1
168 . 1 . 1 46 46 ARG N N 15 119.107 . . 1 . . . . . 532 ARG N . 50816 1
169 . 1 . 1 47 47 THR H H 1 7.045 . . 1 . . . . . 533 THR H . 50816 1
170 . 1 . 1 47 47 THR CA C 13 61.966 . . 1 . . . . . 533 THR CA . 50816 1
171 . 1 . 1 47 47 THR CB C 13 70.133 . . 1 . . . . . 533 THR CB . 50816 1
172 . 1 . 1 47 47 THR N N 15 106.223 . . 1 . . . . . 533 THR N . 50816 1
173 . 1 . 1 48 48 GLY H H 1 8.617 . . 1 . . . . . 534 GLY H . 50816 1
174 . 1 . 1 48 48 GLY CA C 13 45.424 . . 1 . . . . . 534 GLY CA . 50816 1
175 . 1 . 1 48 48 GLY N N 15 112.021 . . 1 . . . . . 534 GLY N . 50816 1
176 . 1 . 1 49 49 ALA H H 1 7.34 . . 1 . . . . . 535 ALA H . 50816 1
177 . 1 . 1 49 49 ALA CA C 13 51.287 . . 1 . . . . . 535 ALA CA . 50816 1
178 . 1 . 1 49 49 ALA CB C 13 20.937 . . 1 . . . . . 535 ALA CB . 50816 1
179 . 1 . 1 49 49 ALA N N 15 122.277 . . 1 . . . . . 535 ALA N . 50816 1
180 . 1 . 1 50 50 ARG H H 1 8.275 . . 1 . . . . . 536 ARG H . 50816 1
181 . 1 . 1 50 50 ARG CA C 13 54.223 . . 1 . . . . . 536 ARG CA . 50816 1
182 . 1 . 1 50 50 ARG CB C 13 34.431 . . 1 . . . . . 536 ARG CB . 50816 1
183 . 1 . 1 50 50 ARG N N 15 117.089 . . 1 . . . . . 536 ARG N . 50816 1
184 . 1 . 1 51 51 GLY H H 1 8.703 . . 1 . . . . . 537 GLY H . 50816 1
185 . 1 . 1 51 51 GLY CA C 13 45.805 . . 1 . . . . . 537 GLY CA . 50816 1
186 . 1 . 1 51 51 GLY N N 15 110.039 . . 1 . . . . . 537 GLY N . 50816 1
187 . 1 . 1 52 52 VAL H H 1 8.737 . . 1 . . . . . 538 VAL H . 50816 1
188 . 1 . 1 52 52 VAL CA C 13 58.854 . . 1 . . . . . 538 VAL CA . 50816 1
189 . 1 . 1 52 52 VAL CB C 13 35.171 . . 1 . . . . . 538 VAL CB . 50816 1
190 . 1 . 1 52 52 VAL N N 15 112.642 . . 1 . . . . . 538 VAL N . 50816 1
191 . 1 . 1 53 53 PHE H H 1 8.703 . . 1 . . . . . 539 PHE H . 50816 1
192 . 1 . 1 53 53 PHE CA C 13 56.536 . . 1 . . . . . 539 PHE CA . 50816 1
193 . 1 . 1 53 53 PHE CB C 13 38.405 . . 1 . . . . . 539 PHE CB . 50816 1
194 . 1 . 1 53 53 PHE N N 15 115.698 . . 1 . . . . . 539 PHE N . 50816 1
195 . 1 . 1 54 54 PRO CA C 13 63.098 . . 1 . . . . . 540 PRO CA . 50816 1
196 . 1 . 1 54 54 PRO CB C 13 31.684 . . 1 . . . . . 540 PRO CB . 50816 1
197 . 1 . 1 55 55 ALA H H 1 7.873 . . 1 . . . . . 541 ALA H . 50816 1
198 . 1 . 1 55 55 ALA CA C 13 55.788 . . 1 . . . . . 541 ALA CA . 50816 1
199 . 1 . 1 55 55 ALA CB C 13 19.828 . . 1 . . . . . 541 ALA CB . 50816 1
200 . 1 . 1 55 55 ALA N N 15 120.543 . . 1 . . . . . 541 ALA N . 50816 1
201 . 1 . 1 56 56 TYR H H 1 7.696 . . 1 . . . . . 542 TYR H . 50816 1
202 . 1 . 1 56 56 TYR CA C 13 59.749 . . 1 . . . . . 542 TYR CA . 50816 1
203 . 1 . 1 56 56 TYR CB C 13 36.984 . . 1 . . . . . 542 TYR CB . 50816 1
204 . 1 . 1 56 56 TYR N N 15 112.572 . . 1 . . . . . 542 TYR N . 50816 1
205 . 1 . 1 57 57 TYR H H 1 7.962 . . 1 . . . . . 543 TYR H . 50816 1
206 . 1 . 1 57 57 TYR CA C 13 59.955 . . 1 . . . . . 543 TYR CA . 50816 1
207 . 1 . 1 57 57 TYR CB C 13 38.281 . . 1 . . . . . 543 TYR CB . 50816 1
208 . 1 . 1 57 57 TYR N N 15 114.771 . . 1 . . . . . 543 TYR N . 50816 1
209 . 1 . 1 58 58 ALA H H 1 7.792 . . 1 . . . . . 544 ALA H . 50816 1
210 . 1 . 1 58 58 ALA CA C 13 50.679 . . 1 . . . . . 544 ALA CA . 50816 1
211 . 1 . 1 58 58 ALA CB C 13 24.261 . . 1 . . . . . 544 ALA CB . 50816 1
212 . 1 . 1 58 58 ALA N N 15 119.532 . . 1 . . . . . 544 ALA N . 50816 1
213 . 1 . 1 59 59 ILE H H 1 8.411 . . 1 . . . . . 545 ILE H . 50816 1
214 . 1 . 1 59 59 ILE CA C 13 58.851 . . 1 . . . . . 545 ILE CA . 50816 1
215 . 1 . 1 59 59 ILE CB C 13 42.526 . . 1 . . . . . 545 ILE CB . 50816 1
216 . 1 . 1 59 59 ILE N N 15 115.152 . . 1 . . . . . 545 ILE N . 50816 1
217 . 1 . 1 60 60 GLU H H 1 8.695 . . 1 . . . . . 546 GLU H . 50816 1
218 . 1 . 1 60 60 GLU CA C 13 57.207 . . 1 . . . . . 546 GLU CA . 50816 1
219 . 1 . 1 60 60 GLU CB C 13 30.393 . . 1 . . . . . 546 GLU CB . 50816 1
220 . 1 . 1 60 60 GLU N N 15 125.036 . . 1 . . . . . 546 GLU N . 50816 1
221 . 1 . 1 61 61 VAL H H 1 7.657 . . 1 . . . . . 547 VAL H . 50816 1
222 . 1 . 1 61 61 VAL CA C 13 61.649 . . 1 . . . . . 547 VAL CA . 50816 1
223 . 1 . 1 61 61 VAL CB C 13 32.449 . . 1 . . . . . 547 VAL CB . 50816 1
224 . 1 . 1 61 61 VAL N N 15 119.53 . . 1 . . . . . 547 VAL N . 50816 1
225 . 1 . 1 62 62 THR H H 1 7.905 . . 1 . . . . . 548 THR H . 50816 1
226 . 1 . 1 62 62 THR CA C 13 61.592 . . 1 . . . . . 548 THR CA . 50816 1
227 . 1 . 1 62 62 THR CB C 13 70.039 . . 1 . . . . . 548 THR CB . 50816 1
228 . 1 . 1 62 62 THR N N 15 117.238 . . 1 . . . . . 548 THR N . 50816 1
229 . 1 . 1 63 63 LYS H H 1 7.969 . . 1 . . . . . 549 LYS H . 50816 1
230 . 1 . 1 63 63 LYS CA C 13 57.668 . . 1 . . . . . 549 LYS CA . 50816 1
231 . 1 . 1 63 63 LYS CB C 13 33.741 . . 1 . . . . . 549 LYS CB . 50816 1
232 . 1 . 1 63 63 LYS N N 15 129.094 . . 1 . . . . . 549 LYS N . 50816 1
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