Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18897
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4b1q/ebi/cctxApeptide.bmrb.csh'
_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 NOESY 1 $sample_1 solution 18897 1
2 TOCSY 1 $sample_1 solution 18897 1
3 COSY 1 $sample_1 solution 18897 1
4 H2BC 1 $sample_1 solution 18897 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 2 1 1 ALA HA H 1 4.358 . . 1 . 2 . . 1 ALA HA . 18897 1
2 . 2 2 1 1 ALA HB1 H 1 1.430 0.007 . 1 . 3 . . 1 ALA HB1 . 18897 1
3 . 2 2 1 1 ALA HB2 H 1 1.430 0.007 . 1 . 3 . . 1 ALA HB2 . 18897 1
4 . 2 2 1 1 ALA HB3 H 1 1.430 0.007 . 1 . 3 . . 1 ALA HB3 . 18897 1
5 . 2 2 1 1 ALA CA C 13 50.640 . . 1 . 1 . . 1 ALA CA . 18897 1
6 . 2 2 1 1 ALA CB C 13 17.385 . . 1 . 4 . . 1 ALA CB . 18897 1
7 . 2 2 2 2 HYP HA H 1 4.599 . . 1 . 7 . . 2 HYP HA . 18897 1
8 . 2 2 2 2 HYP HB2 H 1 2.338 0.002 . 2 . 9 . . 2 HYP HB2 . 18897 1
9 . 2 2 2 2 HYP HB3 H 1 1.933 0.002 . 2 . 10 . . 2 HYP HB3 . 18897 1
10 . 2 2 2 2 HYP HG H 1 4.568 . . 1 . 12 . . 2 HYP HG . 18897 1
11 . 2 2 2 2 HYP HD22 H 1 3.668 . . 1 . 13 . . 2 HYP HD22 . 18897 1
12 . 2 2 2 2 HYP HD23 H 1 3.668 . . 1 . 14 . . 2 HYP HD23 . 18897 1
13 . 2 2 2 2 HYP CA C 13 61.534 . . 1 . 6 . . 2 HYP CA . 18897 1
14 . 2 2 2 2 HYP CB C 13 39.630 0.055 . 1 . 8 . . 2 HYP CB . 18897 1
15 . 2 2 2 2 HYP CG C 13 72.431 . . 1 . 11 . . 2 HYP CG . 18897 1
16 . 2 2 2 2 HYP CD C 13 57.688 . . 1 . 5 . . 2 HYP CD . 18897 1
17 . 2 2 3 3 TRP H H 1 8.395 0.001 . 1 . 15 . . 3 TRP H . 18897 1
18 . 2 2 3 3 TRP HA H 1 4.677 0.004 . 1 . 17 . . 3 TRP HA . 18897 1
19 . 2 2 3 3 TRP HB2 H 1 3.263 0.002 . 1 . 19 . . 3 TRP HB2 . 18897 1
20 . 2 2 3 3 TRP HB3 H 1 3.263 0.002 . 1 . 20 . . 3 TRP HB3 . 18897 1
21 . 2 2 3 3 TRP HD1 H 1 7.246 0.002 . 1 . 26 . . 3 TRP HD1 . 18897 1
22 . 2 2 3 3 TRP HE1 H 1 10.187 . . 1 . 30 . . 3 TRP HE1 . 18897 1
23 . 2 2 3 3 TRP HE3 H 1 7.668 0.005 . 1 . 27 . . 3 TRP HE3 . 18897 1
24 . 2 2 3 3 TRP HZ2 H 1 7.492 0.004 . 1 . 33 . . 3 TRP HZ2 . 18897 1
25 . 2 2 3 3 TRP HZ3 H 1 7.166 0.005 . 1 . 31 . . 3 TRP HZ3 . 18897 1
26 . 2 2 3 3 TRP HH2 H 1 7.245 . . 1 . 34 . . 3 TRP HH2 . 18897 1
27 . 2 2 3 3 TRP CA C 13 56.848 . . 1 . 16 . . 3 TRP CA . 18897 1
28 . 2 2 3 3 TRP CB C 13 29.315 . . 1 . 18 . . 3 TRP CB . 18897 1
29 . 2 2 3 3 TRP CG C 13 111.038 . . 1 . 21 . . 3 TRP CG . 18897 1
30 . 2 2 3 3 TRP CD1 C 13 126.864 . . 1 . 22 . . 3 TRP CD1 . 18897 1
31 . 2 2 3 3 TRP CD2 C 13 129.435 . . 1 . 23 . . 3 TRP CD2 . 18897 1
32 . 2 2 3 3 TRP CE2 C 13 138.759 . . 1 . 25 . . 3 TRP CE2 . 18897 1
33 . 2 2 3 3 TRP CE3 C 13 120.908 . . 1 . 24 . . 3 TRP CE3 . 18897 1
34 . 2 2 3 3 TRP CZ2 C 13 114.513 . . 1 . 29 . . 3 TRP CZ2 . 18897 1
35 . 2 2 3 3 TRP CZ3 C 13 122.039 . . 1 . 28 . . 3 TRP CZ3 . 18897 1
36 . 2 2 3 3 TRP CH2 C 13 124.611 . . 1 . 32 . . 3 TRP CH2 . 18897 1
37 . 2 2 4 4 LEU H H 1 8.002 0.003 . 1 . 35 . . 4 LEU H . 18897 1
38 . 2 2 4 4 LEU HA H 1 4.301 0.004 . 1 . 37 . . 4 LEU HA . 18897 1
39 . 2 2 4 4 LEU HB2 H 1 1.430 0.007 . 1 . 39 . . 4 LEU HB2 . 18897 1
40 . 2 2 4 4 LEU HB3 H 1 1.430 0.007 . 1 . 40 . . 4 LEU HB3 . 18897 1
41 . 2 2 4 4 LEU HG H 1 1.429 0.01 . 1 . 42 . . 4 LEU HG . 18897 1
42 . 2 2 4 4 LEU HD11 H 1 0.790 0.002 . 2 . 43 . . 4 LEU HD11 . 18897 1
43 . 2 2 4 4 LEU HD12 H 1 0.790 0.002 . 2 . 43 . . 4 LEU HD12 . 18897 1
44 . 2 2 4 4 LEU HD13 H 1 0.790 0.002 . 2 . 43 . . 4 LEU HD13 . 18897 1
45 . 2 2 4 4 LEU HD21 H 1 0.842 . . 2 . 44 . . 4 LEU HD21 . 18897 1
46 . 2 2 4 4 LEU HD22 H 1 0.842 . . 2 . 44 . . 4 LEU HD22 . 18897 1
47 . 2 2 4 4 LEU HD23 H 1 0.842 . . 2 . 44 . . 4 LEU HD23 . 18897 1
48 . 2 2 4 4 LEU CA C 13 54.380 . . 1 . 36 . . 4 LEU CA . 18897 1
49 . 2 2 4 4 LEU CB C 13 42.364 . . 1 . 38 . . 4 LEU CB . 18897 1
50 . 2 2 4 4 LEU CG C 13 26.711 . . 1 . 41 . . 4 LEU CG . 18897 1
51 . 2 2 4 4 LEU CD1 C 13 23.448 . . 1 . 45 . . 4 LEU CD1 . 18897 1
52 . 2 2 4 4 LEU CD2 C 13 24.669 . . 1 . 46 . . 4 LEU CD2 . 18897 1
53 . 2 2 5 5 VAL H H 1 7.957 0.004 . 1 . 47 . . 5 VAL H . 18897 1
54 . 2 2 5 5 VAL HA H 1 4.224 0.004 . 1 . 49 . . 5 VAL HA . 18897 1
55 . 2 2 5 5 VAL HB H 1 1.982 0.004 . 1 . 51 . . 5 VAL HB . 18897 1
56 . 2 2 5 5 VAL HG11 H 1 0.938 0.002 . 2 . 52 . . 5 VAL HG11 . 18897 1
57 . 2 2 5 5 VAL HG12 H 1 0.938 0.002 . 2 . 52 . . 5 VAL HG12 . 18897 1
58 . 2 2 5 5 VAL HG13 H 1 0.938 0.002 . 2 . 52 . . 5 VAL HG13 . 18897 1
59 . 2 2 5 5 VAL HG21 H 1 0.869 0.002 . 2 . 53 . . 5 VAL HG21 . 18897 1
60 . 2 2 5 5 VAL HG22 H 1 0.869 0.002 . 2 . 53 . . 5 VAL HG22 . 18897 1
61 . 2 2 5 5 VAL HG23 H 1 0.869 0.002 . 2 . 53 . . 5 VAL HG23 . 18897 1
62 . 2 2 5 5 VAL CA C 13 59.583 . . 1 . 48 . . 5 VAL CA . 18897 1
63 . 2 2 5 5 VAL CB C 13 32.518 . . 1 . 50 . . 5 VAL CB . 18897 1
64 . 2 2 5 5 VAL CG1 C 13 20.737 . . 1 . 54 . . 5 VAL CG1 . 18897 1
65 . 2 2 5 5 VAL CG2 C 13 20.334 . . 1 . 55 . . 5 VAL CG2 . 18897 1
66 . 2 2 6 6 PRO HA H 1 4.418 0.004 . 1 . 58 . . 6 PRO HA . 18897 1
67 . 2 2 6 6 PRO HB2 H 1 2.292 0.002 . 2 . 60 . . 6 PRO HB2 . 18897 1
68 . 2 2 6 6 PRO HB3 H 1 1.912 0.005 . 2 . 61 . . 6 PRO HB3 . 18897 1
69 . 2 2 6 6 PRO HG2 H 1 2.021 0.024 . 2 . 63 . . 6 PRO HG2 . 18897 1
70 . 2 2 6 6 PRO HG3 H 1 1.989 0.003 . 2 . 64 . . 6 PRO HG3 . 18897 1
71 . 2 2 6 6 PRO HD2 H 1 3.833 0.005 . 2 . 65 . . 6 PRO HD2 . 18897 1
72 . 2 2 6 6 PRO HD3 H 1 3.685 . . 2 . 66 . . 6 PRO HD3 . 18897 1
73 . 2 2 6 6 PRO CA C 13 62.736 . . 1 . 57 . . 6 PRO CA . 18897 1
74 . 2 2 6 6 PRO CB C 13 32.141 0.013 . 1 . 59 . . 6 PRO CB . 18897 1
75 . 2 2 6 6 PRO CG C 13 27.185 0.027 . 1 . 62 . . 6 PRO CG . 18897 1
76 . 2 2 6 6 PRO CD C 13 50.905 0.007 . 1 . 56 . . 6 PRO CD . 18897 1
77 . 2 2 7 7 SER H H 1 8.582 0.001 . 1 . 67 . . 7 SER H . 18897 1
78 . 2 2 7 7 SER HA H 1 4.512 0.003 . 1 . 69 . . 7 SER HA . 18897 1
79 . 2 2 7 7 SER HB2 H 1 3.971 0.002 . 2 . 71 . . 7 SER HB2 . 18897 1
80 . 2 2 7 7 SER HB3 H 1 3.750 0.004 . 2 . 72 . . 7 SER HB3 . 18897 1
81 . 2 2 7 7 SER CA C 13 57.064 . . 1 . 68 . . 7 SER CA . 18897 1
82 . 2 2 7 7 SER CB C 13 69.506 0.018 . 1 . 70 . . 7 SER CB . 18897 1
83 . 2 2 8 8 GLN H H 1 8.327 0.002 . 1 . 73 . . 8 GLN H . 18897 1
84 . 2 2 8 8 GLN HA H 1 4.416 0.005 . 1 . 75 . . 8 GLN HA . 18897 1
85 . 2 2 8 8 GLN HB2 H 1 2.061 0.003 . 2 . 77 . . 8 GLN HB2 . 18897 1
86 . 2 2 8 8 GLN HB3 H 1 1.933 0.002 . 2 . 78 . . 8 GLN HB3 . 18897 1
87 . 2 2 8 8 GLN HG2 H 1 2.320 0.002 . 1 . 80 . . 8 GLN HG2 . 18897 1
88 . 2 2 8 8 GLN HG3 H 1 2.320 0.002 . 1 . 81 . . 8 GLN HG3 . 18897 1
89 . 2 2 8 8 GLN HE21 H 1 7.566 . . 1 . 82 . . 8 GLN HE21 . 18897 1
90 . 2 2 8 8 GLN HE22 H 1 6.915 0.001 . 1 . 83 . . 8 GLN HE22 . 18897 1
91 . 2 2 8 8 GLN CA C 13 55.238 . . 1 . 74 . . 8 GLN CA . 18897 1
92 . 2 2 8 8 GLN CB C 13 30.105 0.018 . 1 . 76 . . 8 GLN CB . 18897 1
93 . 2 2 8 8 GLN CG C 13 33.434 . . 1 . 79 . . 8 GLN CG . 18897 1
94 . 2 2 9 9 ILE H H 1 8.362 0.001 . 1 . 84 . . 9 ILE H . 18897 1
95 . 2 2 9 9 ILE HA H 1 4.307 0.001 . 1 . 86 . . 9 ILE HA . 18897 1
96 . 2 2 9 9 ILE HB H 1 1.838 0.001 . 1 . 88 . . 9 ILE HB . 18897 1
97 . 2 2 9 9 ILE HG12 H 1 1.529 0.002 . 2 . 92 . . 9 ILE HG12 . 18897 1
98 . 2 2 9 9 ILE HG13 H 1 1.208 . . 2 . 93 . . 9 ILE HG13 . 18897 1
99 . 2 2 9 9 ILE HG21 H 1 0.939 0.001 . 1 . 89 . . 9 ILE HG21 . 18897 1
100 . 2 2 9 9 ILE HG22 H 1 0.939 0.001 . 1 . 89 . . 9 ILE HG22 . 18897 1
101 . 2 2 9 9 ILE HG23 H 1 0.939 0.001 . 1 . 89 . . 9 ILE HG23 . 18897 1
102 . 2 2 9 9 ILE HD11 H 1 0.864 0.002 . 1 . 94 . . 9 ILE HD11 . 18897 1
103 . 2 2 9 9 ILE HD12 H 1 0.864 0.002 . 1 . 94 . . 9 ILE HD12 . 18897 1
104 . 2 2 9 9 ILE HD13 H 1 0.864 0.002 . 1 . 94 . . 9 ILE HD13 . 18897 1
105 . 2 2 9 9 ILE CA C 13 60.688 . . 1 . 85 . . 9 ILE CA . 18897 1
106 . 2 2 9 9 ILE CB C 13 38.910 . . 1 . 87 . . 9 ILE CB . 18897 1
107 . 2 2 9 9 ILE CG1 C 13 27.491 0.014 . 1 . 91 . . 9 ILE CG1 . 18897 1
108 . 2 2 9 9 ILE CG2 C 13 17.445 . . 1 . 90 . . 9 ILE CG2 . 18897 1
109 . 2 2 9 9 ILE CD1 C 13 12.926 . . 1 . 95 . . 9 ILE CD1 . 18897 1
110 . 2 2 10 10 THR H H 1 8.313 0.003 . 1 . 96 . . 10 THR H . 18897 1
111 . 2 2 10 10 THR HA H 1 4.573 0.003 . 1 . 98 . . 10 THR HA . 18897 1
112 . 2 2 10 10 THR HB H 1 4.356 0.004 . 1 . 100 . . 10 THR HB . 18897 1
113 . 2 2 10 10 THR HG21 H 1 1.202 0.004 . 1 . 101 . . 10 THR HG21 . 18897 1
114 . 2 2 10 10 THR HG22 H 1 1.202 0.004 . 1 . 101 . . 10 THR HG22 . 18897 1
115 . 2 2 10 10 THR HG23 H 1 1.202 0.004 . 1 . 101 . . 10 THR HG23 . 18897 1
116 . 2 2 10 10 THR CA C 13 61.275 . . 1 . 97 . . 10 THR CA . 18897 1
117 . 2 2 10 10 THR CB C 13 70.172 . . 1 . 99 . . 10 THR CB . 18897 1
118 . 2 2 10 10 THR CG2 C 13 20.691 . . 1 . 102 . . 10 THR CG2 . 18897 1
119 . 2 2 11 11 THR H H 1 8.144 0.002 . 1 . 103 . . 11 THR H . 18897 1
120 . 2 2 11 11 THR HA H 1 4.453 0.001 . 1 . 105 . . 11 THR HA . 18897 1
121 . 2 2 11 11 THR HB H 1 3.981 0.004 . 1 . 107 . . 11 THR HB . 18897 1
122 . 2 2 11 11 THR HG21 H 1 0.979 0.003 . 1 . 108 . . 11 THR HG21 . 18897 1
123 . 2 2 11 11 THR HG22 H 1 0.979 0.003 . 1 . 108 . . 11 THR HG22 . 18897 1
124 . 2 2 11 11 THR HG23 H 1 0.979 0.003 . 1 . 108 . . 11 THR HG23 . 18897 1
125 . 2 2 11 11 THR CA C 13 60.840 . . 1 . 104 . . 11 THR CA . 18897 1
126 . 2 2 11 11 THR CB C 13 71.831 . . 1 . 106 . . 11 THR CB . 18897 1
127 . 2 2 11 11 THR CG2 C 13 21.435 . . 1 . 109 . . 11 THR CG2 . 18897 1
128 . 2 2 12 12 CYS H H 1 8.486 0.001 . 1 . 110 . . 12 CYS H . 18897 1
129 . 2 2 12 12 CYS HA H 1 5.136 0.001 . 1 . 112 . . 12 CYS HA . 18897 1
130 . 2 2 12 12 CYS HB2 H 1 2.866 0.004 . 2 . 114 . . 12 CYS HB2 . 18897 1
131 . 2 2 12 12 CYS HB3 H 1 2.591 0.01 . 2 . 115 . . 12 CYS HB3 . 18897 1
132 . 2 2 12 12 CYS CA C 13 53.896 . . 1 . 111 . . 12 CYS CA . 18897 1
133 . 2 2 12 12 CYS CB C 13 39.051 0.004 . 1 . 113 . . 12 CYS CB . 18897 1
134 . 2 2 13 13 CYS H H 1 9.263 . . 1 . 116 . . 13 CYS H . 18897 1
135 . 2 2 13 13 CYS HA H 1 4.357 0.005 . 1 . 118 . . 13 CYS HA . 18897 1
136 . 2 2 13 13 CYS HB2 H 1 3.448 0.008 . 2 . 120 . . 13 CYS HB2 . 18897 1
137 . 2 2 13 13 CYS HB3 H 1 3.101 0.003 . 2 . 121 . . 13 CYS HB3 . 18897 1
138 . 2 2 13 13 CYS CA C 13 55.112 . . 1 . 117 . . 13 CYS CA . 18897 1
139 . 2 2 13 13 CYS CB C 13 37.301 0.011 . 1 . 119 . . 13 CYS CB . 18897 1
140 . 2 2 14 14 GLY H H 1 7.863 0.003 . 1 . 122 . . 14 GLY H . 18897 1
141 . 2 2 14 14 GLY HA2 H 1 4.057 0.004 . 2 . 124 . . 14 GLY HA2 . 18897 1
142 . 2 2 14 14 GLY HA3 H 1 3.490 0.01 . 2 . 125 . . 14 GLY HA3 . 18897 1
143 . 2 2 14 14 GLY CA C 13 44.650 0.025 . 1 . 123 . . 14 GLY CA . 18897 1
144 . 2 2 15 15 TYR H H 1 7.742 0.003 . 1 . 126 . . 15 TYR H . 18897 1
145 . 2 2 15 15 TYR HA H 1 4.727 0.002 . 1 . 128 . . 15 TYR HA . 18897 1
146 . 2 2 15 15 TYR HB2 H 1 3.042 0.003 . 2 . 130 . . 15 TYR HB2 . 18897 1
147 . 2 2 15 15 TYR HB3 H 1 2.870 0.004 . 2 . 131 . . 15 TYR HB3 . 18897 1
148 . 2 2 15 15 TYR HD1 H 1 7.095 0.004 . 3 . 134 . . 15 TYR HD1 . 18897 1
149 . 2 2 15 15 TYR HD2 H 1 7.095 0.004 . 3 . 140 . . 15 TYR HD2 . 18897 1
150 . 2 2 15 15 TYR HE1 H 1 6.821 0.005 . 3 . 136 . . 15 TYR HE1 . 18897 1
151 . 2 2 15 15 TYR HE2 H 1 6.821 0.005 . 3 . 138 . . 15 TYR HE2 . 18897 1
152 . 2 2 15 15 TYR CA C 13 56.649 . . 1 . 127 . . 15 TYR CA . 18897 1
153 . 2 2 15 15 TYR CB C 13 40.684 0.003 . 1 . 129 . . 15 TYR CB . 18897 1
154 . 2 2 15 15 TYR CG C 13 130.593 . . 1 . 132 . . 15 TYR CG . 18897 1
155 . 2 2 15 15 TYR CD1 C 13 133.483 . . 3 . 133 . . 15 TYR CD1 . 18897 1
156 . 2 2 15 15 TYR CD2 C 13 133.483 . . 3 . 139 . . 15 TYR CD2 . 18897 1
157 . 2 2 15 15 TYR CE1 C 13 117.912 . . 3 . 135 . . 15 TYR CE1 . 18897 1
158 . 2 2 15 15 TYR CE2 C 13 117.912 . . 3 . 137 . . 15 TYR CE2 . 18897 1
159 . 2 2 16 16 ASN H H 1 9.080 0.001 . 1 . 141 . . 16 ASN H . 18897 1
160 . 2 2 16 16 ASN HA H 1 4.495 0.008 . 1 . 143 . . 16 ASN HA . 18897 1
161 . 2 2 16 16 ASN HB2 H 1 2.927 0.006 . 2 . 145 . . 16 ASN HB2 . 18897 1
162 . 2 2 16 16 ASN HB3 H 1 2.669 0.005 . 2 . 146 . . 16 ASN HB3 . 18897 1
163 . 2 2 16 16 ASN HD21 H 1 7.675 . . 1 . 147 . . 16 ASN HD21 . 18897 1
164 . 2 2 16 16 ASN HD22 H 1 6.981 0.001 . 1 . 148 . . 16 ASN HD22 . 18897 1
165 . 2 2 16 16 ASN CA C 13 52.872 . . 1 . 142 . . 16 ASN CA . 18897 1
166 . 2 2 16 16 ASN CB C 13 37.376 0.034 . 1 . 144 . . 16 ASN CB . 18897 1
167 . 2 2 17 17 HYP HA H 1 4.793 . . 1 . 151 . . 17 HYP HA . 18897 1
168 . 2 2 17 17 HYP HB2 H 1 2.200 0.004 . 2 . 153 . . 17 HYP HB2 . 18897 1
169 . 2 2 17 17 HYP HB3 H 1 2.064 0.005 . 2 . 154 . . 17 HYP HB3 . 18897 1
170 . 2 2 17 17 HYP HG H 1 4.626 0.006 . 1 . 156 . . 17 HYP HG . 18897 1
171 . 2 2 17 17 HYP HD22 H 1 3.829 0.024 . 2 . 157 . . 17 HYP HD22 . 18897 1
172 . 2 2 17 17 HYP HD23 H 1 3.800 0.001 . 2 . 158 . . 17 HYP HD23 . 18897 1
173 . 2 2 17 17 HYP CA C 13 62.341 . . 1 . 150 . . 17 HYP CA . 18897 1
174 . 2 2 17 17 HYP CB C 13 39.100 0.007 . 1 . 152 . . 17 HYP CB . 18897 1
175 . 2 2 17 17 HYP CG C 13 72.221 . . 1 . 155 . . 17 HYP CG . 18897 1
176 . 2 2 17 17 HYP CD C 13 57.689 . . 1 . 149 . . 17 HYP CD . 18897 1
177 . 2 2 18 18 GLY H H 1 9.261 0.002 . 1 . 159 . . 18 GLY H . 18897 1
178 . 2 2 18 18 GLY HA2 H 1 4.362 0.002 . 2 . 161 . . 18 GLY HA2 . 18897 1
179 . 2 2 18 18 GLY HA3 H 1 3.767 0.009 . 2 . 162 . . 18 GLY HA3 . 18897 1
180 . 2 2 18 18 GLY CA C 13 44.683 0.008 . 1 . 160 . . 18 GLY CA . 18897 1
181 . 2 2 19 19 THR H H 1 7.824 0.005 . 1 . 163 . . 19 THR H . 18897 1
182 . 2 2 19 19 THR HA H 1 4.610 0.001 . 1 . 165 . . 19 THR HA . 18897 1
183 . 2 2 19 19 THR HB H 1 4.256 0.007 . 1 . 167 . . 19 THR HB . 18897 1
184 . 2 2 19 19 THR HG21 H 1 1.168 0.001 . 1 . 168 . . 19 THR HG21 . 18897 1
185 . 2 2 19 19 THR HG22 H 1 1.168 0.001 . 1 . 168 . . 19 THR HG22 . 18897 1
186 . 2 2 19 19 THR HG23 H 1 1.168 0.001 . 1 . 168 . . 19 THR HG23 . 18897 1
187 . 2 2 19 19 THR CA C 13 60.827 . . 1 . 164 . . 19 THR CA . 18897 1
188 . 2 2 19 19 THR CB C 13 71.300 . . 1 . 166 . . 19 THR CB . 18897 1
189 . 2 2 19 19 THR CG2 C 13 21.021 . . 1 . 169 . . 19 THR CG2 . 18897 1
190 . 2 2 20 20 MET H H 1 8.333 0.002 . 1 . 170 . . 20 MET H . 18897 1
191 . 2 2 20 20 MET HA H 1 4.692 0.002 . 1 . 172 . . 20 MET HA . 18897 1
192 . 2 2 20 20 MET HB2 H 1 2.003 0.001 . 1 . 174 . . 20 MET HB2 . 18897 1
193 . 2 2 20 20 MET HB3 H 1 2.003 0.001 . 1 . 175 . . 20 MET HB3 . 18897 1
194 . 2 2 20 20 MET HG2 H 1 2.541 0.001 . 2 . 177 . . 20 MET HG2 . 18897 1
195 . 2 2 20 20 MET HG3 H 1 2.493 0.003 . 2 . 178 . . 20 MET HG3 . 18897 1
196 . 2 2 20 20 MET HE1 H 1 2.072 0.002 . 1 . 179 . . 20 MET HE1 . 18897 1
197 . 2 2 20 20 MET HE2 H 1 2.072 0.002 . 1 . 179 . . 20 MET HE2 . 18897 1
198 . 2 2 20 20 MET HE3 H 1 2.072 0.002 . 1 . 179 . . 20 MET HE3 . 18897 1
199 . 2 2 20 20 MET CA C 13 54.607 . . 1 . 171 . . 20 MET CA . 18897 1
200 . 2 2 20 20 MET CB C 13 35.313 . . 1 . 173 . . 20 MET CB . 18897 1
201 . 2 2 20 20 MET CG C 13 31.543 0.002 . 1 . 176 . . 20 MET CG . 18897 1
202 . 2 2 20 20 MET CE C 13 16.765 . . 1 . 180 . . 20 MET CE . 18897 1
203 . 2 2 21 21 CYS H H 1 8.735 0.001 . 1 . 181 . . 21 CYS H . 18897 1
204 . 2 2 21 21 CYS HA H 1 5.042 0.001 . 1 . 183 . . 21 CYS HA . 18897 1
205 . 2 2 21 21 CYS HB2 H 1 3.800 . . 2 . 185 . . 21 CYS HB2 . 18897 1
206 . 2 2 21 21 CYS HB3 H 1 3.175 0.003 . 2 . 186 . . 21 CYS HB3 . 18897 1
207 . 2 2 21 21 CYS CA C 13 53.653 . . 1 . 182 . . 21 CYS CA . 18897 1
208 . 2 2 21 21 CYS CB C 13 46.949 0.015 . 1 . 184 . . 21 CYS CB . 18897 1
209 . 2 2 22 22 HYP HA H 1 4.697 0.006 . 1 . 189 . . 22 HYP HA . 18897 1
210 . 2 2 22 22 HYP HB2 H 1 2.497 0.001 . 2 . 191 . . 22 HYP HB2 . 18897 1
211 . 2 2 22 22 HYP HB3 H 1 2.342 0.003 . 2 . 192 . . 22 HYP HB3 . 18897 1
212 . 2 2 22 22 HYP HG H 1 4.699 0.005 . 1 . 194 . . 22 HYP HG . 18897 1
213 . 2 2 22 22 HYP HD22 H 1 3.865 0.001 . 2 . 195 . . 22 HYP HD22 . 18897 1
214 . 2 2 22 22 HYP HD23 H 1 3.785 0.001 . 2 . 196 . . 22 HYP HD23 . 18897 1
215 . 2 2 22 22 HYP CA C 13 61.523 . . 1 . 188 . . 22 HYP CA . 18897 1
216 . 2 2 22 22 HYP CB C 13 40.139 0.014 . 1 . 190 . . 22 HYP CB . 18897 1
217 . 2 2 22 22 HYP CG C 13 72.578 . . 1 . 193 . . 22 HYP CG . 18897 1
218 . 2 2 22 22 HYP CD C 13 58.179 0.007 . 1 . 187 . . 22 HYP CD . 18897 1
219 . 2 2 23 23 SER H H 1 8.929 . . 1 . 197 . . 23 SER H . 18897 1
220 . 2 2 23 23 SER HA H 1 4.311 0.003 . 1 . 199 . . 23 SER HA . 18897 1
221 . 2 2 23 23 SER HB2 H 1 3.956 0.007 . 1 . 201 . . 23 SER HB2 . 18897 1
222 . 2 2 23 23 SER HB3 H 1 3.956 0.007 . 1 . 202 . . 23 SER HB3 . 18897 1
223 . 2 2 23 23 SER CA C 13 61.334 . . 1 . 198 . . 23 SER CA . 18897 1
224 . 2 2 23 23 SER CB C 13 62.423 . . 1 . 200 . . 23 SER CB . 18897 1
225 . 2 2 24 24 CYS H H 1 8.610 0.001 . 1 . 203 . . 24 CYS H . 18897 1
226 . 2 2 24 24 CYS HA H 1 4.265 0.003 . 1 . 205 . . 24 CYS HA . 18897 1
227 . 2 2 24 24 CYS HB2 H 1 3.080 0.003 . 2 . 207 . . 24 CYS HB2 . 18897 1
228 . 2 2 24 24 CYS HB3 H 1 2.957 0.009 . 2 . 208 . . 24 CYS HB3 . 18897 1
229 . 2 2 24 24 CYS CA C 13 57.164 . . 1 . 204 . . 24 CYS CA . 18897 1
230 . 2 2 24 24 CYS CB C 13 39.715 0.003 . 1 . 206 . . 24 CYS CB . 18897 1
231 . 2 2 25 25 MET H H 1 8.262 0.001 . 1 . 209 . . 25 MET H . 18897 1
232 . 2 2 25 25 MET HA H 1 4.313 0.002 . 1 . 211 . . 25 MET HA . 18897 1
233 . 2 2 25 25 MET HB2 H 1 2.284 0.001 . 2 . 213 . . 25 MET HB2 . 18897 1
234 . 2 2 25 25 MET HB3 H 1 2.224 0.001 . 2 . 214 . . 25 MET HB3 . 18897 1
235 . 2 2 25 25 MET HG2 H 1 2.737 . . 2 . 216 . . 25 MET HG2 . 18897 1
236 . 2 2 25 25 MET HG3 H 1 2.662 0.002 . 2 . 217 . . 25 MET HG3 . 18897 1
237 . 2 2 25 25 MET HE1 H 1 2.143 . . 1 . 218 . . 25 MET HE1 . 18897 1
238 . 2 2 25 25 MET HE2 H 1 2.143 . . 1 . 218 . . 25 MET HE2 . 18897 1
239 . 2 2 25 25 MET HE3 H 1 2.143 . . 1 . 218 . . 25 MET HE3 . 18897 1
240 . 2 2 25 25 MET CA C 13 58.267 . . 1 . 210 . . 25 MET CA . 18897 1
241 . 2 2 25 25 MET CB C 13 32.007 0.013 . 1 . 212 . . 25 MET CB . 18897 1
242 . 2 2 25 25 MET CG C 13 33.096 0.035 . 1 . 215 . . 25 MET CG . 18897 1
243 . 2 2 25 25 MET CE C 13 17.003 . . 1 . 219 . . 25 MET CE . 18897 1
244 . 2 2 26 26 CYS H H 1 7.970 0.002 . 1 . 220 . . 26 CYS H . 18897 1
245 . 2 2 26 26 CYS HA H 1 4.651 0.002 . 1 . 222 . . 26 CYS HA . 18897 1
246 . 2 2 26 26 CYS HB2 H 1 3.485 0.001 . 2 . 224 . . 26 CYS HB2 . 18897 1
247 . 2 2 26 26 CYS HB3 H 1 2.971 0.008 . 2 . 225 . . 26 CYS HB3 . 18897 1
248 . 2 2 26 26 CYS CA C 13 54.868 . . 1 . 221 . . 26 CYS CA . 18897 1
249 . 2 2 26 26 CYS CB C 13 35.656 0.013 . 1 . 223 . . 26 CYS CB . 18897 1
250 . 2 2 27 27 THR H H 1 7.314 0.004 . 1 . 226 . . 27 THR H . 18897 1
251 . 2 2 27 27 THR HA H 1 4.464 0.003 . 1 . 228 . . 27 THR HA . 18897 1
252 . 2 2 27 27 THR HB H 1 4.594 0.007 . 1 . 230 . . 27 THR HB . 18897 1
253 . 2 2 27 27 THR HG21 H 1 1.138 0.003 . 1 . 231 . . 27 THR HG21 . 18897 1
254 . 2 2 27 27 THR HG22 H 1 1.138 0.003 . 1 . 231 . . 27 THR HG22 . 18897 1
255 . 2 2 27 27 THR HG23 H 1 1.138 0.003 . 1 . 231 . . 27 THR HG23 . 18897 1
256 . 2 2 27 27 THR CA C 13 60.126 . . 1 . 227 . . 27 THR CA . 18897 1
257 . 2 2 27 27 THR CB C 13 68.848 . . 1 . 229 . . 27 THR CB . 18897 1
258 . 2 2 27 27 THR CG2 C 13 21.712 . . 1 . 232 . . 27 THR CG2 . 18897 1
259 . 2 2 28 28 ASN H H 1 7.818 0.001 . 1 . 233 . . 28 ASN H . 18897 1
260 . 2 2 28 28 ASN HA H 1 4.635 0.007 . 1 . 235 . . 28 ASN HA . 18897 1
261 . 2 2 28 28 ASN HB2 H 1 3.266 0.001 . 2 . 237 . . 28 ASN HB2 . 18897 1
262 . 2 2 28 28 ASN HB3 H 1 2.769 0.005 . 2 . 238 . . 28 ASN HB3 . 18897 1
263 . 2 2 28 28 ASN HD21 H 1 7.630 . . 1 . 239 . . 28 ASN HD21 . 18897 1
264 . 2 2 28 28 ASN HD22 H 1 6.870 . . 1 . 240 . . 28 ASN HD22 . 18897 1
265 . 2 2 28 28 ASN CA C 13 54.236 . . 1 . 234 . . 28 ASN CA . 18897 1
266 . 2 2 28 28 ASN CB C 13 36.936 0.008 . 1 . 236 . . 28 ASN CB . 18897 1
267 . 2 2 29 29 THR H H 1 8.347 0.003 . 1 . 241 . . 29 THR H . 18897 1
268 . 2 2 29 29 THR HA H 1 4.658 0.003 . 1 . 243 . . 29 THR HA . 18897 1
269 . 2 2 29 29 THR HB H 1 4.630 . . 1 . 245 . . 29 THR HB . 18897 1
270 . 2 2 29 29 THR HG21 H 1 1.152 . . 1 . 246 . . 29 THR HG21 . 18897 1
271 . 2 2 29 29 THR HG22 H 1 1.152 . . 1 . 246 . . 29 THR HG22 . 18897 1
272 . 2 2 29 29 THR HG23 H 1 1.152 . . 1 . 246 . . 29 THR HG23 . 18897 1
273 . 2 2 29 29 THR CA C 13 60.180 . . 1 . 242 . . 29 THR CA . 18897 1
274 . 2 2 29 29 THR CB C 13 68.591 . . 1 . 244 . . 29 THR CB . 18897 1
275 . 2 2 29 29 THR CG2 C 13 21.216 . . 1 . 247 . . 29 THR CG2 . 18897 1
276 . 2 2 30 30 CYS H H 1 8.317 0.003 . 1 . 248 . . 30 CYS H . 18897 1
277 . 2 2 30 30 CYS HA H 1 4.426 . . 1 . 250 . . 30 CYS HA . 18897 1
278 . 2 2 30 30 CYS HB2 H 1 2.902 0.001 . 2 . 252 . . 30 CYS HB2 . 18897 1
279 . 2 2 30 30 CYS HB3 H 1 3.238 0.001 . 2 . 253 . . 30 CYS HB3 . 18897 1
280 . 2 2 30 30 CYS CA C 13 55.470 . . 1 . 249 . . 30 CYS CA . 18897 1
281 . 2 2 30 30 CYS CB C 13 40.392 0.023 . 1 . 251 . . 30 CYS CB . 18897 1
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