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 52223
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'SH3 R21A'
_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
2 hCONH . . . 52223 1
3 hCANH . . . 52223 1
4 hCAcoNH . . . 52223 1
5 hcaCBcaNH . . . 52223 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
2 $software_2 . . 52223 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 8 8 LEU H H 1 8.685683334 0.02855096362 . . . . . . . 8 LEU H . 52223 1
2 . 1 . 1 8 8 LEU C C 13 175.5427809 . . . . . . . . 8 LEU C . 52223 1
3 . 1 . 1 8 8 LEU CA C 13 52.99785249 . . . . . . . . 8 LEU CA . 52223 1
4 . 1 . 1 8 8 LEU N N 15 122.6502285 0.01159920336 . . . . . . . 8 LEU N . 52223 1
5 . 1 . 1 9 9 VAL H H 1 9.742134679 0.01842701092 . . . . . . . 9 VAL H . 52223 1
6 . 1 . 1 9 9 VAL C C 13 171.3233159 0 . . . . . . . 9 VAL C . 52223 1
7 . 1 . 1 9 9 VAL CA C 13 57.35624853 . . . . . . . . 9 VAL CA . 52223 1
8 . 1 . 1 9 9 VAL CB C 13 35.19835522 . . . . . . . . 9 VAL CB . 52223 1
9 . 1 . 1 9 9 VAL N N 15 112.9082867 0.05236977665 . . . . . . . 9 VAL N . 52223 1
10 . 1 . 1 10 10 LEU H H 1 9.899322207 0.025462086 . . . . . . . 10 LEU H . 52223 1
11 . 1 . 1 10 10 LEU C C 13 175.3800077 0 . . . . . . . 10 LEU C . 52223 1
12 . 1 . 1 10 10 LEU CA C 13 52.69720003 . . . . . . . . 10 LEU CA . 52223 1
13 . 1 . 1 10 10 LEU CB C 13 46.35246412 . . . . . . . . 10 LEU CB . 52223 1
14 . 1 . 1 10 10 LEU N N 15 125.1993347 0.05462772309 . . . . . . . 10 LEU N . 52223 1
15 . 1 . 1 11 11 ALA H H 1 10.02308379 0.01890753479 . . . . . . . 11 ALA H . 52223 1
16 . 1 . 1 11 11 ALA C C 13 176.5944314 0 . . . . . . . 11 ALA C . 52223 1
17 . 1 . 1 11 11 ALA CA C 13 52.41450961 . . . . . . . . 11 ALA CA . 52223 1
18 . 1 . 1 11 11 ALA CB C 13 19.33200576 . . . . . . . . 11 ALA CB . 52223 1
19 . 1 . 1 11 11 ALA N N 15 128.3084339 0.08708071961 . . . . . . . 11 ALA N . 52223 1
20 . 1 . 1 12 12 LEU H H 1 10.16198578 0.01727785157 . . . . . . . 12 LEU H . 52223 1
21 . 1 . 1 12 12 LEU C C 13 173.7289914 . . . . . . . . 12 LEU C . 52223 1
22 . 1 . 1 12 12 LEU CA C 13 55.94001089 . . . . . . . . 12 LEU CA . 52223 1
23 . 1 . 1 12 12 LEU CB C 13 42.9387312 . . . . . . . . 12 LEU CB . 52223 1
24 . 1 . 1 12 12 LEU N N 15 128.3422203 0.035584333 . . . . . . . 12 LEU N . 52223 1
25 . 1 . 1 13 13 TYR H H 1 7.927296338 0.01665146169 . . . . . . . 13 TYR H . 52223 1
26 . 1 . 1 13 13 TYR C C 13 173.1972422 . . . . . . . . 13 TYR C . 52223 1
27 . 1 . 1 13 13 TYR CA C 13 55.27325002 0.05914223564 . . . . . . . 13 TYR CA . 52223 1
28 . 1 . 1 13 13 TYR CB C 13 43.70369436 . . . . . . . . 13 TYR CB . 52223 1
29 . 1 . 1 13 13 TYR N N 15 110.59511 0.05378755466 . . . . . . . 13 TYR N . 52223 1
30 . 1 . 1 14 14 ASP H H 1 9.231715086 0.02250837836 . . . . . . . 14 ASP H . 52223 1
31 . 1 . 1 14 14 ASP C C 13 175.218629 . . . . . . . . 14 ASP C . 52223 1
32 . 1 . 1 14 14 ASP CA C 13 55.28937373 . . . . . . . . 14 ASP CA . 52223 1
33 . 1 . 1 14 14 ASP CB C 13 41.99560222 . . . . . . . . 14 ASP CB . 52223 1
34 . 1 . 1 14 14 ASP N N 15 117.9786509 0.1973927993 . . . . . . . 14 ASP N . 52223 1
35 . 1 . 1 15 15 TYR H H 1 9.446799051 0.01745338688 . . . . . . . 15 TYR H . 52223 1
36 . 1 . 1 15 15 TYR C C 13 171.6075427 0 . . . . . . . 15 TYR C . 52223 1
37 . 1 . 1 15 15 TYR CA C 13 56.2269407 . . . . . . . . 15 TYR CA . 52223 1
38 . 1 . 1 15 15 TYR CB C 13 43.33120005 . . . . . . . . 15 TYR CB . 52223 1
39 . 1 . 1 15 15 TYR N N 15 119.6671258 0.1039740936 . . . . . . . 15 TYR N . 52223 1
40 . 1 . 1 16 16 GLN H H 1 8.418074804 0.02313338 . . . . . . . 16 GLN H . 52223 1
41 . 1 . 1 16 16 GLN CA C 13 54.40601003 . . . . . . . . 16 GLN CA . 52223 1
42 . 1 . 1 16 16 GLN CB C 13 29.14659214 . . . . . . . . 16 GLN CB . 52223 1
43 . 1 . 1 16 16 GLN N N 15 127.8256004 0.07224870916 . . . . . . . 16 GLN N . 52223 1
44 . 1 . 1 17 17 GLU H H 1 8.731868314 0.006468556813 . . . . . . . 17 GLU H . 52223 1
45 . 1 . 1 17 17 GLU C C 13 174.9587563 . . . . . . . . 17 GLU C . 52223 1
46 . 1 . 1 17 17 GLU CA C 13 56.39251305 . . . . . . . . 17 GLU CA . 52223 1
47 . 1 . 1 17 17 GLU CB C 13 30.34007362 . . . . . . . . 17 GLU CB . 52223 1
48 . 1 . 1 17 17 GLU N N 15 123.3858543 0.0370080988 . . . . . . . 17 GLU N . 52223 1
49 . 1 . 1 18 18 LYS H H 1 9.746640605 0.01723883242 . . . . . . . 18 LYS H . 52223 1
50 . 1 . 1 18 18 LYS C C 13 176.8356627 . . . . . . . . 18 LYS C . 52223 1
51 . 1 . 1 18 18 LYS CA C 13 53.87405307 . . . . . . . . 18 LYS CA . 52223 1
52 . 1 . 1 18 18 LYS CB C 13 32.86108665 . . . . . . . . 18 LYS CB . 52223 1
53 . 1 . 1 18 18 LYS N N 15 120.675033 0.0647809268 . . . . . . . 18 LYS N . 52223 1
54 . 1 . 1 19 19 SER H H 1 8.187749483 0.004997260594 . . . . . . . 19 SER H . 52223 1
55 . 1 . 1 19 19 SER C C 13 175.4464607 . . . . . . . . 19 SER C . 52223 1
56 . 1 . 1 19 19 SER CA C 13 56.13228364 . . . . . . . . 19 SER CA . 52223 1
57 . 1 . 1 19 19 SER CB C 13 64.66959846 . . . . . . . . 19 SER CB . 52223 1
58 . 1 . 1 19 19 SER N N 15 113.2828739 0.1144785082 . . . . . . . 19 SER N . 52223 1
59 . 1 . 1 21 21 ALA H H 1 8.322728628 0.04181298811 . . . . . . . 21 ALA H . 52223 1
60 . 1 . 1 21 21 ALA C C 13 176.8933479 . . . . . . . . 21 ALA C . 52223 1
61 . 1 . 1 21 21 ALA CA C 13 51.47130861 . . . . . . . . 21 ALA CA . 52223 1
62 . 1 . 1 21 21 ALA CB C 13 18.53215687 . . . . . . . . 21 ALA CB . 52223 1
63 . 1 . 1 21 21 ALA N N 15 116.9679535 0.5552746354 . . . . . . . 21 ALA N . 52223 1
64 . 1 . 1 22 22 GLU H H 1 8.457162351 0.02104479319 . . . . . . . 22 GLU H . 52223 1
65 . 1 . 1 22 22 GLU C C 13 173.1730409 . . . . . . . . 22 GLU C . 52223 1
66 . 1 . 1 22 22 GLU CA C 13 55.92555098 . . . . . . . . 22 GLU CA . 52223 1
67 . 1 . 1 22 22 GLU CB C 13 33.62040475 . . . . . . . . 22 GLU CB . 52223 1
68 . 1 . 1 22 22 GLU N N 15 119.996802 0.09411525673 . . . . . . . 22 GLU N . 52223 1
69 . 1 . 1 23 23 VAL H H 1 8.650377029 0.01853223199 . . . . . . . 23 VAL H . 52223 1
70 . 1 . 1 23 23 VAL C C 13 170.1390886 0 . . . . . . . 23 VAL C . 52223 1
71 . 1 . 1 23 23 VAL CA C 13 59.93076644 . . . . . . . . 23 VAL CA . 52223 1
72 . 1 . 1 23 23 VAL CB C 13 35.15602376 . . . . . . . . 23 VAL CB . 52223 1
73 . 1 . 1 23 23 VAL N N 15 114.720976 0.2252858737 . . . . . . . 23 VAL N . 52223 1
74 . 1 . 1 24 24 THR H H 1 7.501645859 0.05721097902 . . . . . . . 24 THR H . 52223 1
75 . 1 . 1 24 24 THR C C 13 172.5882434 0 . . . . . . . 24 THR C . 52223 1
76 . 1 . 1 24 24 THR CA C 13 62.09583088 . . . . . . . . 24 THR CA . 52223 1
77 . 1 . 1 24 24 THR CB C 13 71.93698889 . . . . . . . . 24 THR CB . 52223 1
78 . 1 . 1 24 24 THR N N 15 118.7851313 0.09716909744 . . . . . . . 24 THR N . 52223 1
79 . 1 . 1 25 25 MET H H 1 10.33925912 0.02195950971 . . . . . . . 25 MET H . 52223 1
80 . 1 . 1 25 25 MET C C 13 171.3749935 0 . . . . . . . 25 MET C . 52223 1
81 . 1 . 1 25 25 MET CA C 13 54.9136114 0.07475211161 . . . . . . . 25 MET CA . 52223 1
82 . 1 . 1 25 25 MET CB C 13 35.95410227 . . . . . . . . 25 MET CB . 52223 1
83 . 1 . 1 25 25 MET N N 15 121.9469311 0.1241746687 . . . . . . . 25 MET N . 52223 1
84 . 1 . 1 26 26 LYS H H 1 9.835280684 0.04072456581 . . . . . . . 26 LYS H . 52223 1
85 . 1 . 1 26 26 LYS C C 13 173.7521632 0 . . . . . . . 26 LYS C . 52223 1
86 . 1 . 1 26 26 LYS CA C 13 54.76607449 . . . . . . . . 26 LYS CA . 52223 1
87 . 1 . 1 26 26 LYS CB C 13 34.26263803 . . . . . . . . 26 LYS CB . 52223 1
88 . 1 . 1 26 26 LYS N N 15 124.6136193 0.05387876203 . . . . . . . 26 LYS N . 52223 1
89 . 1 . 1 27 27 LYS H H 1 9.910226255 0.02395482493 . . . . . . . 27 LYS H . 52223 1
90 . 1 . 1 27 27 LYS C C 13 176.3271231 . . . . . . . . 27 LYS C . 52223 1
91 . 1 . 1 27 27 LYS CA C 13 58.10035442 . . . . . . . . 27 LYS CA . 52223 1
92 . 1 . 1 27 27 LYS CB C 13 32.06388332 . . . . . . . . 27 LYS CB . 52223 1
93 . 1 . 1 27 27 LYS N N 15 123.2200922 0.09095710227 . . . . . . . 27 LYS N . 52223 1
94 . 1 . 1 28 28 GLY H H 1 9.760916429 0.01588458089 . . . . . . . 28 GLY H . 52223 1
95 . 1 . 1 28 28 GLY C C 13 172.7186112 0 . . . . . . . 28 GLY C . 52223 1
96 . 1 . 1 28 28 GLY CA C 13 45.02112223 0.1225389456 . . . . . . . 28 GLY CA . 52223 1
97 . 1 . 1 28 28 GLY N N 15 116.884471 0.1328576706 . . . . . . . 28 GLY N . 52223 1
98 . 1 . 1 29 29 ASP H H 1 9.293493189 0.02418718037 . . . . . . . 29 ASP H . 52223 1
99 . 1 . 1 29 29 ASP CA C 13 54.22831954 0.1858554124 . . . . . . . 29 ASP CA . 52223 1
100 . 1 . 1 29 29 ASP CB C 13 41.98602247 . . . . . . . . 29 ASP CB . 52223 1
101 . 1 . 1 29 29 ASP N N 15 121.9627537 0.1315073847 . . . . . . . 29 ASP N . 52223 1
102 . 1 . 1 30 30 ILE H H 1 9.409349532 0.007514885415 . . . . . . . 30 ILE H . 52223 1
103 . 1 . 1 30 30 ILE C C 13 175.5350405 0 . . . . . . . 30 ILE C . 52223 1
104 . 1 . 1 30 30 ILE CA C 13 56.66738106 . . . . . . . . 30 ILE CA . 52223 1
105 . 1 . 1 30 30 ILE CB C 13 35.16977898 . . . . . . . . 30 ILE CB . 52223 1
106 . 1 . 1 30 30 ILE N N 15 120.4337818 0.09044571505 . . . . . . . 30 ILE N . 52223 1
107 . 1 . 1 31 31 LEU H H 1 10.49997536 0.03203865982 . . . . . . . 31 LEU H . 52223 1
108 . 1 . 1 31 31 LEU C C 13 175.0260679 . . . . . . . . 31 LEU C . 52223 1
109 . 1 . 1 31 31 LEU CA C 13 52.51854408 . . . . . . . . 31 LEU CA . 52223 1
110 . 1 . 1 31 31 LEU CB C 13 42.12111075 . . . . . . . . 31 LEU CB . 52223 1
111 . 1 . 1 31 31 LEU N N 15 130.4192016 0.09825131787 . . . . . . . 31 LEU N . 52223 1
112 . 1 . 1 32 32 THR H H 1 8.944801125 0.01508908506 . . . . . . . 32 THR H . 52223 1
113 . 1 . 1 32 32 THR CA C 13 62.87075623 . . . . . . . . 32 THR CA . 52223 1
114 . 1 . 1 32 32 THR CB C 13 69.62087326 . . . . . . . . 32 THR CB . 52223 1
115 . 1 . 1 32 32 THR N N 15 118.7052926 0.07502266196 . . . . . . . 32 THR N . 52223 1
116 . 1 . 1 33 33 LEU H H 1 9.912436242 0.0356105491 . . . . . . . 33 LEU H . 52223 1
117 . 1 . 1 33 33 LEU C C 13 173.261226 0 . . . . . . . 33 LEU C . 52223 1
118 . 1 . 1 33 33 LEU CA C 13 55.3191683 0.02366524218 . . . . . . . 33 LEU CA . 52223 1
119 . 1 . 1 33 33 LEU CB C 13 42.67276772 . . . . . . . . 33 LEU CB . 52223 1
120 . 1 . 1 33 33 LEU N N 15 130.2785579 0.02757576422 . . . . . . . 33 LEU N . 52223 1
121 . 1 . 1 34 34 LEU H H 1 9.902136428 0.0217695049 . . . . . . . 34 LEU H . 52223 1
122 . 1 . 1 34 34 LEU C C 13 175.9493464 . . . . . . . . 34 LEU C . 52223 1
123 . 1 . 1 34 34 LEU CA C 13 54.76518674 . . . . . . . . 34 LEU CA . 52223 1
124 . 1 . 1 34 34 LEU CB C 13 42.87013065 . . . . . . . . 34 LEU CB . 52223 1
125 . 1 . 1 34 34 LEU N N 15 126.4243996 0.06733783733 . . . . . . . 34 LEU N . 52223 1
126 . 1 . 1 35 35 ASN H H 1 8.279559893 0.02890490729 . . . . . . . 35 ASN H . 52223 1
127 . 1 . 1 35 35 ASN C C 13 173.0803544 0 . . . . . . . 35 ASN C . 52223 1
128 . 1 . 1 35 35 ASN CA C 13 53.11687678 0.2774593905 . . . . . . . 35 ASN CA . 52223 1
129 . 1 . 1 35 35 ASN CB C 13 37.45500378 . . . . . . . . 35 ASN CB . 52223 1
130 . 1 . 1 35 35 ASN N N 15 114.7566161 0.2368072944 . . . . . . . 35 ASN N . 52223 1
131 . 1 . 1 36 36 SER H H 1 10.21515298 0.02175979711 . . . . . . . 36 SER H . 52223 1
132 . 1 . 1 36 36 SER CA C 13 61.76845167 . . . . . . . . 36 SER CA . 52223 1
133 . 1 . 1 36 36 SER CB C 13 61.90750436 . . . . . . . . 36 SER CB . 52223 1
134 . 1 . 1 36 36 SER N N 15 125.7960598 0.005210491769 . . . . . . . 36 SER N . 52223 1
135 . 1 . 1 37 37 THR H H 1 9.140683812 0.01584650458 . . . . . . . 37 THR H . 52223 1
136 . 1 . 1 37 37 THR C C 13 174.6565213 0 . . . . . . . 37 THR C . 52223 1
137 . 1 . 1 37 37 THR CA C 13 65.23109148 . . . . . . . . 37 THR CA . 52223 1
138 . 1 . 1 37 37 THR CB C 13 71.1447041 . . . . . . . . 37 THR CB . 52223 1
139 . 1 . 1 37 37 THR N N 15 113.7231614 0.01951256488 . . . . . . . 37 THR N . 52223 1
140 . 1 . 1 38 38 ASN H H 1 10.18498525 0.01575309288 . . . . . . . 38 ASN H . 52223 1
141 . 1 . 1 38 38 ASN C C 13 173.2870648 0 . . . . . . . 38 ASN C . 52223 1
142 . 1 . 1 38 38 ASN CA C 13 56.2718908 . . . . . . . . 38 ASN CA . 52223 1
143 . 1 . 1 38 38 ASN N N 15 126.6311349 0.003334969768 . . . . . . . 38 ASN N . 52223 1
144 . 1 . 1 39 39 LYS H H 1 9.592752311 0.02082963681 . . . . . . . 39 LYS H . 52223 1
145 . 1 . 1 39 39 LYS C C 13 175.0856989 . . . . . . . . 39 LYS C . 52223 1
146 . 1 . 1 39 39 LYS CA C 13 57.95073696 0.07601388732 . . . . . . . 39 LYS CA . 52223 1
147 . 1 . 1 39 39 LYS CB C 13 32.36639781 . . . . . . . . 39 LYS CB . 52223 1
148 . 1 . 1 39 39 LYS N N 15 122.4978347 0.0282602768 . . . . . . . 39 LYS N . 52223 1
149 . 1 . 1 40 40 ASP H H 1 9.038642404 0.01471183628 . . . . . . . 40 ASP H . 52223 1
150 . 1 . 1 40 40 ASP C C 13 175.4316853 0 . . . . . . . 40 ASP C . 52223 1
151 . 1 . 1 40 40 ASP CA C 13 55.02939933 0.09067679043 . . . . . . . 40 ASP CA . 52223 1
152 . 1 . 1 40 40 ASP CB C 13 44.27200932 . . . . . . . . 40 ASP CB . 52223 1
153 . 1 . 1 40 40 ASP N N 15 116.2843542 0.08171995886 . . . . . . . 40 ASP N . 52223 1
154 . 1 . 1 41 41 TRP H H 1 9.344584878 0.03616387247 . . . . . . . 41 TRP H . 52223 1
155 . 1 . 1 41 41 TRP HE1 H 1 10.81911714 . . . . . . . . 41 TRP HE1 . 52223 1
156 . 1 . 1 41 41 TRP C C 13 172.6410948 0 . . . . . . . 41 TRP C . 52223 1
157 . 1 . 1 41 41 TRP CA C 13 56.08542217 0.03102416744 . . . . . . . 41 TRP CA . 52223 1
158 . 1 . 1 41 41 TRP CB C 13 32.51782433 . . . . . . . . 41 TRP CB . 52223 1
159 . 1 . 1 41 41 TRP N N 15 124.071616 0.05302850223 . . . . . . . 41 TRP N . 52223 1
160 . 1 . 1 41 41 TRP NE1 N 15 128.6362321 . . . . . . . . 41 TRP NE1 . 52223 1
161 . 1 . 1 42 42 TRP H H 1 10.18487342 0.02298103179 . . . . . . . 42 TRP H . 52223 1
162 . 1 . 1 42 42 TRP HE1 H 1 10.27558655 . . . . . . . . 42 TRP HE1 . 52223 1
163 . 1 . 1 42 42 TRP C C 13 173.0803544 0 . . . . . . . 42 TRP C . 52223 1
164 . 1 . 1 42 42 TRP CA C 13 53.69467764 0.09619201129 . . . . . . . 42 TRP CA . 52223 1
165 . 1 . 1 42 42 TRP CB C 13 31.86156124 . . . . . . . . 42 TRP CB . 52223 1
166 . 1 . 1 42 42 TRP N N 15 124.804454 0.02542217097 . . . . . . . 42 TRP N . 52223 1
167 . 1 . 1 42 42 TRP NE1 N 15 129.9668453 . . . . . . . . 42 TRP NE1 . 52223 1
168 . 1 . 1 43 43 LYS H H 1 9.852917846 0.04341504829 . . . . . . . 43 LYS H . 52223 1
169 . 1 . 1 43 43 LYS C C 13 174.1139064 0 . . . . . . . 43 LYS C . 52223 1
170 . 1 . 1 43 43 LYS CA C 13 54.91245693 0.06982474577 . . . . . . . 43 LYS CA . 52223 1
171 . 1 . 1 43 43 LYS CB C 13 33.96767851 . . . . . . . . 43 LYS CB . 52223 1
172 . 1 . 1 43 43 LYS N N 15 124.6667821 0.1208480864 . . . . . . . 43 LYS N . 52223 1
173 . 1 . 1 44 44 VAL H H 1 10.36494416 0.01894826214 . . . . . . . 44 VAL H . 52223 1
174 . 1 . 1 44 44 VAL CA C 13 56.68404579 2.070499031 . . . . . . . 44 VAL CA . 52223 1
175 . 1 . 1 44 44 VAL CB C 13 36.77203619 . . . . . . . . 44 VAL CB . 52223 1
176 . 1 . 1 44 44 VAL N N 15 123.036715 0.03593131981 . . . . . . . 44 VAL N . 52223 1
177 . 1 . 1 45 45 GLU H H 1 9.68579398 0.0314064662 . . . . . . . 45 GLU H . 52223 1
178 . 1 . 1 45 45 GLU C C 13 173.8555184 0 . . . . . . . 45 GLU C . 52223 1
179 . 1 . 1 45 45 GLU CA C 13 58.3450719 . . . . . . . . 45 GLU CA . 52223 1
180 . 1 . 1 45 45 GLU CB C 13 33.01708861 . . . . . . . . 45 GLU CB . 52223 1
181 . 1 . 1 45 45 GLU N N 15 120.6802583 0.06430933365 . . . . . . . 45 GLU N . 52223 1
182 . 1 . 1 46 46 VAL H H 1 9.714472373 0.02610872196 . . . . . . . 46 VAL H . 52223 1
183 . 1 . 1 46 46 VAL CA C 13 60.45354999 . . . . . . . . 46 VAL CA . 52223 1
184 . 1 . 1 46 46 VAL CB C 13 32.68669251 . . . . . . . . 46 VAL CB . 52223 1
185 . 1 . 1 46 46 VAL N N 15 126.8281825 0.0834872748 . . . . . . . 46 VAL N . 52223 1
186 . 1 . 1 49 49 ARG H H 1 9.126582156 0.02818709111 . . . . . . . 49 ARG H . 52223 1
187 . 1 . 1 49 49 ARG C C 13 173.1936156 . . . . . . . . 49 ARG C . 52223 1
188 . 1 . 1 49 49 ARG CA C 13 55.1655275 0.1090059903 . . . . . . . 49 ARG CA . 52223 1
189 . 1 . 1 49 49 ARG CB C 13 33.5750432 . . . . . . . . 49 ARG CB . 52223 1
190 . 1 . 1 49 49 ARG N N 15 120.9457252 0.09482466452 . . . . . . . 49 ARG N . 52223 1
191 . 1 . 1 50 50 GLN H H 1 9.279430063 0.02107053418 . . . . . . . 50 GLN H . 52223 1
192 . 1 . 1 50 50 GLN C C 13 174.662927 . . . . . . . . 50 GLN C . 52223 1
193 . 1 . 1 50 50 GLN CA C 13 53.6769177 0.02562013393 . . . . . . . 50 GLN CA . 52223 1
194 . 1 . 1 50 50 GLN CB C 13 31.48774407 . . . . . . . . 50 GLN CB . 52223 1
195 . 1 . 1 50 50 GLN N N 15 117.7669433 0.04725456107 . . . . . . . 50 GLN N . 52223 1
196 . 1 . 1 51 51 GLY H H 1 9.501153694 0.02087246109 . . . . . . . 51 GLY H . 52223 1
197 . 1 . 1 51 51 GLY C C 13 169.4073826 . . . . . . . . 51 GLY C . 52223 1
198 . 1 . 1 51 51 GLY CA C 13 45.61066443 0.392270962 . . . . . . . 51 GLY CA . 52223 1
199 . 1 . 1 51 51 GLY N N 15 107.4393834 0.09004397175 . . . . . . . 51 GLY N . 52223 1
200 . 1 . 1 52 52 PHE H H 1 10.15033239 0.01495280255 . . . . . . . 52 PHE H . 52223 1
201 . 1 . 1 52 52 PHE C C 13 174.0886395 . . . . . . . . 52 PHE C . 52223 1
202 . 1 . 1 52 52 PHE CA C 13 59.18487008 0.01796946016 . . . . . . . 52 PHE CA . 52223 1
203 . 1 . 1 52 52 PHE CB C 13 41.77537679 . . . . . . . . 52 PHE CB . 52223 1
204 . 1 . 1 52 52 PHE N N 15 120.0960845 0.04656577575 . . . . . . . 52 PHE N . 52223 1
205 . 1 . 1 53 53 VAL H H 1 9.694641407 0.02085350629 . . . . . . . 53 VAL H . 52223 1
206 . 1 . 1 53 53 VAL C C 13 176.3676922 . . . . . . . . 53 VAL C . 52223 1
207 . 1 . 1 53 53 VAL CA C 13 57.57401984 . . . . . . . . 53 VAL CA . 52223 1
208 . 1 . 1 53 53 VAL CB C 13 33.16048893 . . . . . . . . 53 VAL CB . 52223 1
209 . 1 . 1 53 53 VAL N N 15 111.9181464 0.2234473197 . . . . . . . 53 VAL N . 52223 1
210 . 1 . 1 55 55 ALA H H 1 8.341798933 0.01944483637 . . . . . . . 55 ALA H . 52223 1
211 . 1 . 1 55 55 ALA C C 13 177.6316213 . . . . . . . . 55 ALA C . 52223 1
212 . 1 . 1 55 55 ALA CA C 13 54.92752214 . . . . . . . . 55 ALA CA . 52223 1
213 . 1 . 1 55 55 ALA CB C 13 15.75137953 . . . . . . . . 55 ALA CB . 52223 1
214 . 1 . 1 55 55 ALA N N 15 130.2045981 0.1035832722 . . . . . . . 55 ALA N . 52223 1
215 . 1 . 1 56 56 ALA H H 1 8.900061804 0.0210190249 . . . . . . . 56 ALA H . 52223 1
216 . 1 . 1 56 56 ALA C C 13 176.343174 . . . . . . . . 56 ALA C . 52223 1
217 . 1 . 1 56 56 ALA CA C 13 52.93061062 0.04798034489 . . . . . . . 56 ALA CA . 52223 1
218 . 1 . 1 56 56 ALA CB C 13 17.79006712 . . . . . . . . 56 ALA CB . 52223 1
219 . 1 . 1 56 56 ALA N N 15 113.9986018 0.08204093228 . . . . . . . 56 ALA N . 52223 1
220 . 1 . 1 57 57 TYR H H 1 8.327759376 0.02584060279 . . . . . . . 57 TYR H . 52223 1
221 . 1 . 1 57 57 TYR CA C 13 55.2373136 . . . . . . . . 57 TYR CA . 52223 1
222 . 1 . 1 57 57 TYR CB C 13 40.61576074 . . . . . . . . 57 TYR CB . 52223 1
223 . 1 . 1 57 57 TYR N N 15 114.9766227 0.1454068621 . . . . . . . 57 TYR N . 52223 1
224 . 1 . 1 58 58 VAL H H 1 8.299046674 0.01017123176 . . . . . . . 58 VAL H . 52223 1
225 . 1 . 1 58 58 VAL C C 13 175.2520953 . . . . . . . . 58 VAL C . 52223 1
226 . 1 . 1 58 58 VAL CA C 13 57.69177742 . . . . . . . . 58 VAL CA . 52223 1
227 . 1 . 1 58 58 VAL CB C 13 35.15404887 . . . . . . . . 58 VAL CB . 52223 1
228 . 1 . 1 58 58 VAL N N 15 111.6669241 0.04467608152 . . . . . . . 58 VAL N . 52223 1
229 . 1 . 1 59 59 LYS H H 1 9.664640901 0.01328157957 . . . . . . . 59 LYS H . 52223 1
230 . 1 . 1 59 59 LYS C C 13 175.5092017 0 . . . . . . . 59 LYS C . 52223 1
231 . 1 . 1 59 59 LYS CA C 13 54.18673573 . . . . . . . . 59 LYS CA . 52223 1
232 . 1 . 1 59 59 LYS CB C 13 36.75063481 . . . . . . . . 59 LYS CB . 52223 1
233 . 1 . 1 59 59 LYS N N 15 120.8751149 0.1872934218 . . . . . . . 59 LYS N . 52223 1
234 . 1 . 1 60 60 LYS H H 1 10.12404507 0.02967027409 . . . . . . . 60 LYS H . 52223 1
235 . 1 . 1 60 60 LYS C C 13 175.4058465 0 . . . . . . . 60 LYS C . 52223 1
236 . 1 . 1 60 60 LYS CA C 13 58.46447586 . . . . . . . . 60 LYS CA . 52223 1
237 . 1 . 1 60 60 LYS CB C 13 32.81922285 . . . . . . . . 60 LYS CB . 52223 1
238 . 1 . 1 60 60 LYS N N 15 127.009326 0.05311683776 . . . . . . . 60 LYS N . 52223 1
239 . 1 . 1 61 61 LEU H H 1 9.452944118 0.04459930159 . . . . . . . 61 LEU H . 52223 1
240 . 1 . 1 61 61 LEU CA C 13 54.24227751 . . . . . . . . 61 LEU CA . 52223 1
241 . 1 . 1 61 61 LEU CB C 13 41.39360925 . . . . . . . . 61 LEU CB . 52223 1
242 . 1 . 1 61 61 LEU N N 15 123.7925511 0.0752876815 . . . . . . . 61 LEU N . 52223 1
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