Content for NMR-STAR saveframe, "assignments_fynsh3a39vn53pv55l_intermediate"
save_assignments_fynsh3a39vn53pv55l_intermediate
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assignments_fynsh3a39vn53pv55l_intermediate
_Assigned_chem_shift_list.Entry_ID 17149
_Assigned_chem_shift_list.ID 2
_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 'Note: These chemical shift assignments are for a low-populated folding intermediate, not the native SH3 domain mutant.'
_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
8 '15N SQ CPMG' . . . 17149 2
10 '15N TROSY/AntiTROSY CPMG' . . . 17149 2
20 '1HN SQ CPMG' . . . 17149 2
22 '15N SQ CPMG' . . . 17149 2
23 '13CO SQ CPMG' . . . 17149 2
31 '13CA SQ CPMG' . . . 17149 2
33 '13CA SQ CPMG' . . . 17149 2
35 '1HA SQ CPMG' . . . 17149 2
37 '13CH3 SQ CPMG' . . . 17149 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $NMRPipe . . 17149 2
2 $NMRViewJ . . 17149 2
3 $MUNIN . . 17149 2
4 $CATIA . . 17149 2
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 1 7 7 SER C C 13 174.74 0.10 . 1 . . . . 1 SER C . 17149 2
2 . 2 1 8 8 THR H H 1 8.24 0.01 . 1 . . . . 2 THR H . 17149 2
3 . 2 1 8 8 THR C C 13 173.32 0.10 . 1 . . . . 2 THR C . 17149 2
4 . 2 1 8 8 THR CA C 13 62.23 0.26 . 1 . . . . 2 THR CA . 17149 2
5 . 2 1 8 8 THR CG2 C 13 21.87 0.10 . 1 . . . . 2 THR CG2 . 17149 2
6 . 2 1 8 8 THR N N 15 115.63 0.10 . 1 . . . . 2 THR N . 17149 2
7 . 2 1 9 9 LEU H H 1 8.10 0.01 . 1 . . . . 3 LEU H . 17149 2
8 . 2 1 9 9 LEU HA H 1 5.30 0.10 . 1 . . . . 3 LEU HA . 17149 2
9 . 2 1 9 9 LEU C C 13 176.59 0.10 . 1 . . . . 3 LEU C . 17149 2
10 . 2 1 9 9 LEU CA C 13 53.88 0.10 . 1 . . . . 3 LEU CA . 17149 2
11 . 2 1 9 9 LEU CD1 C 13 25.50 0.15 . 1 . . . . 3 LEU CD1 . 17149 2
12 . 2 1 9 9 LEU CD2 C 13 24.21 0.10 . 1 . . . . 3 LEU CD2 . 17149 2
13 . 2 1 9 9 LEU N N 15 123.69 0.10 . 1 . . . . 3 LEU N . 17149 2
14 . 2 1 10 10 PHE H H 1 9.14 0.01 . 1 . . . . 4 PHE H . 17149 2
15 . 2 1 10 10 PHE HA H 1 4.89 0.10 . 1 . . . . 4 PHE HA . 17149 2
16 . 2 1 10 10 PHE C C 13 172.50 0.10 . 1 . . . . 4 PHE C . 17149 2
17 . 2 1 10 10 PHE CA C 13 56.68 0.10 . 1 . . . . 4 PHE CA . 17149 2
18 . 2 1 10 10 PHE N N 15 123.48 0.10 . 1 . . . . 4 PHE N . 17149 2
19 . 2 1 11 11 GLU H H 1 7.50 0.03 . 1 . . . . 5 GLU H . 17149 2
20 . 2 1 11 11 GLU HA H 1 4.70 0.10 . 1 . . . . 5 GLU HA . 17149 2
21 . 2 1 11 11 GLU C C 13 174.16 0.10 . 1 . . . . 5 GLU C . 17149 2
22 . 2 1 11 11 GLU CA C 13 53.78 0.10 . 1 . . . . 5 GLU CA . 17149 2
23 . 2 1 11 11 GLU N N 15 126.48 0.10 . 1 . . . . 5 GLU N . 17149 2
24 . 2 1 12 12 ALA H H 1 8.68 0.01 . 1 . . . . 6 ALA H . 17149 2
25 . 2 1 12 12 ALA HA H 1 3.70 0.10 . 1 . . . . 6 ALA HA . 17149 2
26 . 2 1 12 12 ALA C C 13 179.80 0.10 . 1 . . . . 6 ALA C . 17149 2
27 . 2 1 12 12 ALA CA C 13 52.58 0.10 . 1 . . . . 6 ALA CA . 17149 2
28 . 2 1 12 12 ALA CB C 13 20.47 0.10 . 1 . . . . 6 ALA CB . 17149 2
29 . 2 1 12 12 ALA N N 15 126.01 0.10 . 1 . . . . 6 ALA N . 17149 2
30 . 2 1 13 13 LEU H H 1 8.75 0.02 . 1 . . . . 7 LEU H . 17149 2
31 . 2 1 13 13 LEU HA H 1 4.38 0.10 . 1 . . . . 7 LEU HA . 17149 2
32 . 2 1 13 13 LEU C C 13 175.58 0.10 . 1 . . . . 7 LEU C . 17149 2
33 . 2 1 13 13 LEU CA C 13 54.79 0.10 . 1 . . . . 7 LEU CA . 17149 2
34 . 2 1 13 13 LEU CD1 C 13 25.45 0.10 . 1 . . . . 7 LEU CD1 . 17149 2
35 . 2 1 13 13 LEU CD2 C 13 22.67 0.10 . 1 . . . . 7 LEU CD2 . 17149 2
36 . 2 1 13 13 LEU N N 15 123.09 0.10 . 1 . . . . 7 LEU N . 17149 2
37 . 2 1 14 14 TYR H H 1 7.35 0.01 . 1 . . . . 8 TYR H . 17149 2
38 . 2 1 14 14 TYR HA H 1 4.68 0.10 . 1 . . . . 8 TYR HA . 17149 2
39 . 2 1 14 14 TYR C C 13 171.71 0.10 . 1 . . . . 8 TYR C . 17149 2
40 . 2 1 14 14 TYR CA C 13 54.98 0.10 . 1 . . . . 8 TYR CA . 17149 2
41 . 2 1 14 14 TYR N N 15 114.90 0.10 . 1 . . . . 8 TYR N . 17149 2
42 . 2 1 15 15 ASP H H 1 8.38 0.01 . 1 . . . . 9 ASP H . 17149 2
43 . 2 1 15 15 ASP HA H 1 5.10 0.10 . 1 . . . . 9 ASP HA . 17149 2
44 . 2 1 15 15 ASP C C 13 175.31 0.10 . 1 . . . . 9 ASP C . 17149 2
45 . 2 1 15 15 ASP CA C 13 53.67 0.10 . 1 . . . . 9 ASP CA . 17149 2
46 . 2 1 15 15 ASP N N 15 116.19 0.10 . 1 . . . . 9 ASP N . 17149 2
47 . 2 1 16 16 TYR H H 1 8.53 0.01 . 1 . . . . 10 TYR H . 17149 2
48 . 2 1 16 16 TYR C C 13 173.52 0.10 . 1 . . . . 10 TYR C . 17149 2
49 . 2 1 16 16 TYR CA C 13 57.44 0.10 . 1 . . . . 10 TYR CA . 17149 2
50 . 2 1 16 16 TYR N N 15 124.17 0.10 . 1 . . . . 10 TYR N . 17149 2
51 . 2 1 17 17 GLU H H 1 7.52 0.01 . 1 . . . . 11 GLU H . 17149 2
52 . 2 1 17 17 GLU HA H 1 4.23 0.10 . 1 . . . . 11 GLU HA . 17149 2
53 . 2 1 17 17 GLU C C 13 173.89 0.10 . 1 . . . . 11 GLU C . 17149 2
54 . 2 1 17 17 GLU CA C 13 54.08 0.10 . 1 . . . . 11 GLU CA . 17149 2
55 . 2 1 17 17 GLU N N 15 128.70 0.10 . 1 . . . . 11 GLU N . 17149 2
56 . 2 1 18 18 ALA H H 1 8.32 0.01 . 1 . . . . 12 ALA H . 17149 2
57 . 2 1 18 18 ALA HA H 1 3.90 0.10 . 1 . . . . 12 ALA HA . 17149 2
58 . 2 1 18 18 ALA C C 13 178.76 0.10 . 1 . . . . 12 ALA C . 17149 2
59 . 2 1 18 18 ALA CA C 13 52.51 0.10 . 1 . . . . 12 ALA CA . 17149 2
60 . 2 1 18 18 ALA CB C 13 19.69 0.14 . 1 . . . . 12 ALA CB . 17149 2
61 . 2 1 18 18 ALA N N 15 127.15 0.10 . 1 . . . . 12 ALA N . 17149 2
62 . 2 1 19 19 ARG H H 1 10.21 0.01 . 1 . . . . 13 ARG H . 17149 2
63 . 2 1 19 19 ARG HA H 1 4.38 0.10 . 1 . . . . 13 ARG HA . 17149 2
64 . 2 1 19 19 ARG C C 13 176.77 1.40 . 1 . . . . 13 ARG C . 17149 2
65 . 2 1 19 19 ARG CA C 13 55.86 0.10 . 1 . . . . 13 ARG CA . 17149 2
66 . 2 1 19 19 ARG N N 15 122.47 0.10 . 1 . . . . 13 ARG N . 17149 2
67 . 2 1 20 20 THR H H 1 9.38 0.01 . 1 . . . . 14 THR H . 17149 2
68 . 2 1 20 20 THR C C 13 174.94 0.21 . 1 . . . . 14 THR C . 17149 2
69 . 2 1 20 20 THR CA C 13 59.58 0.26 . 1 . . . . 14 THR CA . 17149 2
70 . 2 1 20 20 THR N N 15 116.02 0.10 . 1 . . . . 14 THR N . 17149 2
71 . 2 1 21 21 GLU H H 1 8.64 0.01 . 1 . . . . 15 GLU H . 17149 2
72 . 2 1 21 21 GLU C C 13 176.88 0.14 . 1 . . . . 15 GLU C . 17149 2
73 . 2 1 21 21 GLU CA C 13 57.50 0.10 . 1 . . . . 15 GLU CA . 17149 2
74 . 2 1 21 21 GLU N N 15 117.96 0.10 . 1 . . . . 15 GLU N . 17149 2
75 . 2 1 22 22 ASP H H 1 8.16 0.01 . 1 . . . . 16 ASP H . 17149 2
76 . 2 1 22 22 ASP HA H 1 4.75 0.10 . 1 . . . . 16 ASP HA . 17149 2
77 . 2 1 22 22 ASP C C 13 175.76 0.22 . 1 . . . . 16 ASP C . 17149 2
78 . 2 1 22 22 ASP CA C 13 54.31 0.23 . 1 . . . . 16 ASP CA . 17149 2
79 . 2 1 22 22 ASP N N 15 117.12 0.10 . 1 . . . . 16 ASP N . 17149 2
80 . 2 1 23 23 ASP H H 1 8.23 0.01 . 1 . . . . 17 ASP H . 17149 2
81 . 2 1 23 23 ASP HA H 1 5.47 0.10 . 1 . . . . 17 ASP HA . 17149 2
82 . 2 1 23 23 ASP C C 13 175.38 0.23 . 1 . . . . 17 ASP C . 17149 2
83 . 2 1 23 23 ASP CA C 13 52.18 0.10 . 1 . . . . 17 ASP CA . 17149 2
84 . 2 1 23 23 ASP N N 15 119.39 0.10 . 1 . . . . 17 ASP N . 17149 2
85 . 2 1 24 24 LEU H H 1 8.18 0.01 . 1 . . . . 18 LEU H . 17149 2
86 . 2 1 24 24 LEU HA H 1 4.71 0.10 . 1 . . . . 18 LEU HA . 17149 2
87 . 2 1 24 24 LEU C C 13 176.67 0.10 . 1 . . . . 18 LEU C . 17149 2
88 . 2 1 24 24 LEU CA C 13 54.32 0.55 . 1 . . . . 18 LEU CA . 17149 2
89 . 2 1 24 24 LEU CD1 C 13 25.43 0.18 . 1 . . . . 18 LEU CD1 . 17149 2
90 . 2 1 24 24 LEU CD2 C 13 23.74 0.10 . 1 . . . . 18 LEU CD2 . 17149 2
91 . 2 1 24 24 LEU N N 15 120.66 0.10 . 1 . . . . 18 LEU N . 17149 2
92 . 2 1 25 25 SER H H 1 8.12 0.01 . 1 . . . . 19 SER H . 17149 2
93 . 2 1 25 25 SER C C 13 174.00 0.10 . 1 . . . . 19 SER C . 17149 2
94 . 2 1 25 25 SER CA C 13 57.84 0.10 . 1 . . . . 19 SER CA . 17149 2
95 . 2 1 25 25 SER N N 15 115.11 0.10 . 1 . . . . 19 SER N . 17149 2
96 . 2 1 26 26 PHE H H 1 8.81 0.01 . 1 . . . . 20 PHE H . 17149 2
97 . 2 1 26 26 PHE HA H 1 5.16 0.11 . 1 . . . . 20 PHE HA . 17149 2
98 . 2 1 26 26 PHE C C 13 174.19 0.10 . 1 . . . . 20 PHE C . 17149 2
99 . 2 1 26 26 PHE CA C 13 56.73 0.10 . 1 . . . . 20 PHE CA . 17149 2
100 . 2 1 26 26 PHE N N 15 115.61 0.10 . 1 . . . . 20 PHE N . 17149 2
101 . 2 1 27 27 HIS H H 1 8.65 0.01 . 1 . . . . 21 HIS H . 17149 2
102 . 2 1 27 27 HIS HA H 1 5.50 0.14 . 1 . . . . 21 HIS HA . 17149 2
103 . 2 1 27 27 HIS C C 13 174.44 0.10 . 1 . . . . 21 HIS C . 17149 2
104 . 2 1 27 27 HIS CA C 13 53.73 0.50 . 1 . . . . 21 HIS CA . 17149 2
105 . 2 1 27 27 HIS N N 15 117.44 0.10 . 1 . . . . 21 HIS N . 17149 2
106 . 2 1 28 28 LYS H H 1 8.84 0.01 . 1 . . . . 22 LYS H . 17149 2
107 . 2 1 28 28 LYS HA H 1 3.56 0.16 . 1 . . . . 22 LYS HA . 17149 2
108 . 2 1 28 28 LYS C C 13 177.45 0.15 . 1 . . . . 22 LYS C . 17149 2
109 . 2 1 28 28 LYS CA C 13 58.48 0.34 . 1 . . . . 22 LYS CA . 17149 2
110 . 2 1 28 28 LYS N N 15 121.66 0.10 . 1 . . . . 22 LYS N . 17149 2
111 . 2 1 29 29 GLY H H 1 8.80 0.01 . 1 . . . . 23 GLY H . 17149 2
112 . 2 1 29 29 GLY C C 13 174.09 0.10 . 1 . . . . 23 GLY C . 17149 2
113 . 2 1 29 29 GLY CA C 13 44.78 0.36 . 1 . . . . 23 GLY CA . 17149 2
114 . 2 1 29 29 GLY N N 15 115.08 0.10 . 1 . . . . 23 GLY N . 17149 2
115 . 2 1 30 30 GLU H H 1 8.14 0.01 . 1 . . . . 24 GLU H . 17149 2
116 . 2 1 30 30 GLU HA H 1 3.97 0.10 . 1 . . . . 24 GLU HA . 17149 2
117 . 2 1 30 30 GLU CA C 13 57.67 0.10 . 1 . . . . 24 GLU CA . 17149 2
118 . 2 1 30 30 GLU N N 15 123.43 0.10 . 1 . . . . 24 GLU N . 17149 2
119 . 2 1 31 31 LYS HA H 1 5.06 0.10 . 1 . . . . 25 LYS HA . 17149 2
120 . 2 1 31 31 LYS C C 13 175.67 0.10 . 1 . . . . 25 LYS C . 17149 2
121 . 2 1 31 31 LYS CA C 13 55.06 0.10 . 1 . . . . 25 LYS CA . 17149 2
122 . 2 1 32 32 PHE H H 1 9.11 0.01 . 1 . . . . 26 PHE H . 17149 2
123 . 2 1 32 32 PHE HA H 1 5.26 0.10 . 1 . . . . 26 PHE HA . 17149 2
124 . 2 1 32 32 PHE C C 13 175.05 0.10 . 1 . . . . 26 PHE C . 17149 2
125 . 2 1 32 32 PHE CA C 13 56.49 0.10 . 1 . . . . 26 PHE CA . 17149 2
126 . 2 1 32 32 PHE N N 15 118.46 0.10 . 1 . . . . 26 PHE N . 17149 2
127 . 2 1 33 33 GLN H H 1 9.11 0.01 . 1 . . . . 27 GLN H . 17149 2
128 . 2 1 33 33 GLN HA H 1 4.91 0.10 . 1 . . . . 27 GLN HA . 17149 2
129 . 2 1 33 33 GLN C C 13 176.12 0.10 . 1 . . . . 27 GLN C . 17149 2
130 . 2 1 33 33 GLN CA C 13 54.44 0.10 . 1 . . . . 27 GLN CA . 17149 2
131 . 2 1 33 33 GLN N N 15 120.91 0.10 . 1 . . . . 27 GLN N . 17149 2
132 . 2 1 34 34 ILE H H 1 9.06 0.01 . 1 . . . . 28 ILE H . 17149 2
133 . 2 1 34 34 ILE HA H 1 3.98 0.10 . 1 . . . . 28 ILE HA . 17149 2
134 . 2 1 34 34 ILE C C 13 175.88 0.10 . 1 . . . . 28 ILE C . 17149 2
135 . 2 1 34 34 ILE CA C 13 62.70 0.16 . 1 . . . . 28 ILE CA . 17149 2
136 . 2 1 34 34 ILE CD1 C 13 13.70 0.10 . 1 . . . . 28 ILE CD1 . 17149 2
137 . 2 1 34 34 ILE CG2 C 13 17.81 0.10 . 1 . . . . 28 ILE CG2 . 17149 2
138 . 2 1 34 34 ILE N N 15 126.86 0.10 . 1 . . . . 28 ILE N . 17149 2
139 . 2 1 35 35 LEU H H 1 9.05 0.01 . 1 . . . . 29 LEU H . 17149 2
140 . 2 1 35 35 LEU HA H 1 4.40 0.10 . 1 . . . . 29 LEU HA . 17149 2
141 . 2 1 35 35 LEU C C 13 177.50 0.10 . 1 . . . . 29 LEU C . 17149 2
142 . 2 1 35 35 LEU CA C 13 55.47 0.36 . 1 . . . . 29 LEU CA . 17149 2
143 . 2 1 35 35 LEU CD1 C 13 25.59 0.19 . 1 . . . . 29 LEU CD1 . 17149 2
144 . 2 1 35 35 LEU CD2 C 13 22.21 0.10 . 1 . . . . 29 LEU CD2 . 17149 2
145 . 2 1 35 35 LEU N N 15 129.56 0.10 . 1 . . . . 29 LEU N . 17149 2
146 . 2 1 36 36 ASN H H 1 8.03 0.01 . 1 . . . . 30 ASN H . 17149 2
147 . 2 1 36 36 ASN HA H 1 4.73 0.11 . 1 . . . . 30 ASN HA . 17149 2
148 . 2 1 36 36 ASN C C 13 174.28 0.10 . 1 . . . . 30 ASN C . 17149 2
149 . 2 1 36 36 ASN CA C 13 53.71 0.29 . 1 . . . . 30 ASN CA . 17149 2
150 . 2 1 36 36 ASN N N 15 115.91 0.10 . 1 . . . . 30 ASN N . 17149 2
151 . 2 1 37 37 SER H H 1 8.88 0.10 . 1 . . . . 31 SER H . 17149 2
152 . 2 1 37 37 SER C C 13 174.52 0.18 . 1 . . . . 31 SER C . 17149 2
153 . 2 1 37 37 SER CA C 13 56.66 0.10 . 1 . . . . 31 SER CA . 17149 2
154 . 2 1 37 37 SER N N 15 121.50 1.40 . 1 . . . . 31 SER N . 17149 2
155 . 2 1 38 38 SER H H 1 7.95 0.01 . 1 . . . . 32 SER H . 17149 2
156 . 2 1 38 38 SER C C 13 175.07 0.30 . 1 . . . . 32 SER C . 17149 2
157 . 2 1 38 38 SER CA C 13 59.46 0.10 . 1 . . . . 32 SER CA . 17149 2
158 . 2 1 38 38 SER N N 15 116.97 0.10 . 1 . . . . 32 SER N . 17149 2
159 . 2 1 39 39 GLU H H 1 8.67 0.01 . 1 . . . . 33 GLU H . 17149 2
160 . 2 1 39 39 GLU HA H 1 4.56 0.10 . 1 . . . . 33 GLU HA . 17149 2
161 . 2 1 39 39 GLU C C 13 176.79 0.16 . 1 . . . . 33 GLU C . 17149 2
162 . 2 1 39 39 GLU CA C 13 56.60 0.10 . 1 . . . . 33 GLU CA . 17149 2
163 . 2 1 39 39 GLU N N 15 121.73 0.10 . 1 . . . . 33 GLU N . 17149 2
164 . 2 1 40 40 GLY H H 1 8.27 0.05 . 1 . . . . 34 GLY H . 17149 2
165 . 2 1 40 40 GLY CA C 13 46.04 0.45 . 1 . . . . 34 GLY CA . 17149 2
166 . 2 1 40 40 GLY N N 15 108.58 0.27 . 1 . . . . 34 GLY N . 17149 2
167 . 2 1 41 41 ASP C C 13 175.73 0.10 . 1 . . . . 35 ASP C . 17149 2
168 . 2 1 42 42 TRP H H 1 7.83 0.01 . 1 . . . . 36 TRP H . 17149 2
169 . 2 1 42 42 TRP HA H 1 5.01 0.11 . 1 . . . . 36 TRP HA . 17149 2
170 . 2 1 42 42 TRP HE1 H 1 10.10 0.01 . 1 . . . . 36 TRP HE1 . 17149 2
171 . 2 1 42 42 TRP C C 13 175.09 0.23 . 1 . . . . 36 TRP C . 17149 2
172 . 2 1 42 42 TRP CA C 13 55.31 0.10 . 1 . . . . 36 TRP CA . 17149 2
173 . 2 1 42 42 TRP N N 15 119.43 0.10 . 1 . . . . 36 TRP N . 17149 2
174 . 2 1 42 42 TRP NE1 N 15 129.45 0.10 . 1 . . . . 36 TRP NE1 . 17149 2
175 . 2 1 43 43 TRP H H 1 9.69 0.01 . 1 . . . . 37 TRP H . 17149 2
176 . 2 1 43 43 TRP HE1 H 1 9.64 0.01 . 1 . . . . 37 TRP HE1 . 17149 2
177 . 2 1 43 43 TRP C C 13 174.63 0.25 . 1 . . . . 37 TRP C . 17149 2
178 . 2 1 43 43 TRP N N 15 123.34 0.10 . 1 . . . . 37 TRP N . 17149 2
179 . 2 1 43 43 TRP NE1 N 15 127.41 0.10 . 1 . . . . 37 TRP NE1 . 17149 2
180 . 2 1 44 44 GLU H H 1 8.81 0.01 . 1 . . . . 38 GLU H . 17149 2
181 . 2 1 44 44 GLU HA H 1 4.55 0.10 . 1 . . . . 38 GLU HA . 17149 2
182 . 2 1 44 44 GLU C C 13 176.41 0.10 . 1 . . . . 38 GLU C . 17149 2
183 . 2 1 44 44 GLU CA C 13 55.54 0.10 . 1 . . . . 38 GLU CA . 17149 2
184 . 2 1 44 44 GLU N N 15 124.89 0.10 . 1 . . . . 38 GLU N . 17149 2
185 . 2 1 45 45 VAL H H 1 9.25 0.01 . 1 . . . . 39 VAL H . 17149 2
186 . 2 1 45 45 VAL HA H 1 5.21 0.11 . 1 . . . . 39 VAL HA . 17149 2
187 . 2 1 45 45 VAL C C 13 173.19 0.10 . 1 . . . . 39 VAL C . 17149 2
188 . 2 1 45 45 VAL CG1 C 13 21.35 2.19 . 1 . . . . 39 VAL CG1 . 17149 2
189 . 2 1 45 45 VAL CG2 C 13 19.45 0.10 . 1 . . . . 39 VAL CG2 . 17149 2
190 . 2 1 45 45 VAL N N 15 120.78 0.10 . 1 . . . . 39 VAL N . 17149 2
191 . 2 1 46 46 ARG H H 1 8.90 0.01 . 1 . . . . 40 ARG H . 17149 2
192 . 2 1 46 46 ARG HA H 1 5.20 0.18 . 1 . . . . 40 ARG HA . 17149 2
193 . 2 1 46 46 ARG C C 13 176.68 0.20 . 1 . . . . 40 ARG C . 17149 2
194 . 2 1 46 46 ARG CA C 13 53.45 0.10 . 1 . . . . 40 ARG CA . 17149 2
195 . 2 1 46 46 ARG N N 15 118.00 0.10 . 1 . . . . 40 ARG N . 17149 2
196 . 2 1 47 47 SER H H 1 9.02 0.01 . 1 . . . . 41 SER H . 17149 2
197 . 2 1 47 47 SER C C 13 177.44 0.10 . 1 . . . . 41 SER C . 17149 2
198 . 2 1 47 47 SER CA C 13 58.04 0.10 . 1 . . . . 41 SER CA . 17149 2
199 . 2 1 47 47 SER N N 15 120.42 0.10 . 1 . . . . 41 SER N . 17149 2
200 . 2 1 48 48 LEU H H 1 8.75 0.01 . 1 . . . . 42 LEU H . 17149 2
201 . 2 1 48 48 LEU HA H 1 4.24 0.10 . 1 . . . . 42 LEU HA . 17149 2
202 . 2 1 48 48 LEU C C 13 178.19 0.10 . 1 . . . . 42 LEU C . 17149 2
203 . 2 1 48 48 LEU CA C 13 56.59 0.41 . 1 . . . . 42 LEU CA . 17149 2
204 . 2 1 48 48 LEU CD1 C 13 25.56 0.10 . 1 . . . . 42 LEU CD1 . 17149 2
205 . 2 1 48 48 LEU CD2 C 13 23.20 0.10 . 1 . . . . 42 LEU CD2 . 17149 2
206 . 2 1 48 48 LEU N N 15 130.33 0.10 . 1 . . . . 42 LEU N . 17149 2
207 . 2 1 49 49 THR H H 1 8.33 0.01 . 1 . . . . 43 THR H . 17149 2
208 . 2 1 49 49 THR C C 13 176.28 0.10 . 1 . . . . 43 THR C . 17149 2
209 . 2 1 49 49 THR CA C 13 65.15 0.10 . 1 . . . . 43 THR CA . 17149 2
210 . 2 1 49 49 THR CG2 C 13 22.22 0.32 . 1 . . . . 43 THR CG2 . 17149 2
211 . 2 1 49 49 THR N N 15 115.28 0.10 . 1 . . . . 43 THR N . 17149 2
212 . 2 1 50 50 THR H H 1 8.04 0.01 . 1 . . . . 44 THR H . 17149 2
213 . 2 1 50 50 THR C C 13 176.92 0.10 . 1 . . . . 44 THR C . 17149 2
214 . 2 1 50 50 THR CA C 13 61.67 0.25 . 1 . . . . 44 THR CA . 17149 2
215 . 2 1 50 50 THR CG2 C 13 21.63 0.10 . 1 . . . . 44 THR CG2 . 17149 2
216 . 2 1 50 50 THR N N 15 107.77 0.10 . 1 . . . . 44 THR N . 17149 2
217 . 2 1 51 51 GLY H H 1 7.81 0.01 . 1 . . . . 45 GLY H . 17149 2
218 . 2 1 51 51 GLY CA C 13 45.62 4.74 . 1 . . . . 45 GLY CA . 17149 2
219 . 2 1 51 51 GLY N N 15 110.93 0.10 . 1 . . . . 45 GLY N . 17149 2
220 . 2 1 52 52 GLU HA H 1 4.35 0.10 . 1 . . . . 46 GLU HA . 17149 2
221 . 2 1 52 52 GLU C C 13 175.62 0.10 . 1 . . . . 46 GLU C . 17149 2
222 . 2 1 52 52 GLU CA C 13 56.26 0.10 . 1 . . . . 46 GLU CA . 17149 2
223 . 2 1 53 53 THR H H 1 8.47 0.01 . 1 . . . . 47 THR H . 17149 2
224 . 2 1 53 53 THR C C 13 174.46 0.21 . 1 . . . . 47 THR C . 17149 2
225 . 2 1 53 53 THR CA C 13 60.18 0.10 . 1 . . . . 47 THR CA . 17149 2
226 . 2 1 53 53 THR N N 15 114.25 0.10 . 1 . . . . 47 THR N . 17149 2
227 . 2 1 54 54 GLY H H 1 8.63 0.01 . 1 . . . . 48 GLY H . 17149 2
228 . 2 1 54 54 GLY CA C 13 45.28 0.45 . 1 . . . . 48 GLY CA . 17149 2
229 . 2 1 54 54 GLY N N 15 110.95 0.10 . 1 . . . . 48 GLY N . 17149 2
230 . 2 1 55 55 TYR HA H 1 5.96 0.10 . 1 . . . . 49 TYR HA . 17149 2
231 . 2 1 55 55 TYR C C 13 175.91 0.22 . 1 . . . . 49 TYR C . 17149 2
232 . 2 1 55 55 TYR CA C 13 56.72 0.10 . 1 . . . . 49 TYR CA . 17149 2
233 . 2 1 56 56 ILE H H 1 9.15 0.01 . 1 . . . . 50 ILE H . 17149 2
234 . 2 1 56 56 ILE HA H 1 5.15 0.10 . 1 . . . . 50 ILE HA . 17149 2
235 . 2 1 56 56 ILE CA C 13 58.25 0.10 . 1 . . . . 50 ILE CA . 17149 2
236 . 2 1 56 56 ILE CD1 C 13 13.82 0.10 . 1 . . . . 50 ILE CD1 . 17149 2
237 . 2 1 56 56 ILE CG2 C 13 18.88 0.10 . 1 . . . . 50 ILE CG2 . 17149 2
238 . 2 1 56 56 ILE N N 15 113.01 0.10 . 1 . . . . 50 ILE N . 17149 2
239 . 2 1 57 57 PRO C C 13 175.83 0.10 . 1 . . . . 51 PRO C . 17149 2
240 . 2 1 57 57 PRO CA C 13 62.25 0.10 . 1 . . . . 51 PRO CA . 17149 2
241 . 2 1 58 58 SER H H 1 7.25 0.01 . 1 . . . . 52 SER H . 17149 2
242 . 2 1 58 58 SER HA H 1 2.63 0.10 . 1 . . . . 52 SER HA . 17149 2
243 . 2 1 58 58 SER CA C 13 61.82 0.10 . 1 . . . . 52 SER CA . 17149 2
244 . 2 1 58 58 SER N N 15 116.11 0.10 . 1 . . . . 52 SER N . 17149 2
245 . 2 1 59 59 PRO HA H 1 3.99 0.10 . 1 . . . . 53 PRO HA . 17149 2
246 . 2 1 59 59 PRO C C 13 176.49 0.10 . 1 . . . . 53 PRO C . 17149 2
247 . 2 1 59 59 PRO CA C 13 63.13 0.13 . 1 . . . . 53 PRO CA . 17149 2
248 . 2 1 60 60 TYR H H 1 7.29 0.01 . 1 . . . . 54 TYR H . 17149 2
249 . 2 1 60 60 TYR HA H 1 4.52 0.10 . 1 . . . . 54 TYR HA . 17149 2
250 . 2 1 60 60 TYR C C 13 175.77 0.10 . 1 . . . . 54 TYR C . 17149 2
251 . 2 1 60 60 TYR CA C 13 56.65 0.14 . 1 . . . . 54 TYR CA . 17149 2
252 . 2 1 60 60 TYR N N 15 117.81 0.10 . 1 . . . . 54 TYR N . 17149 2
253 . 2 1 61 61 LEU H H 1 7.24 0.01 . 1 . . . . 55 LEU H . 17149 2
254 . 2 1 61 61 LEU C C 13 176.31 0.10 . 1 . . . . 55 LEU C . 17149 2
255 . 2 1 61 61 LEU CA C 13 54.64 0.10 . 1 . . . . 55 LEU CA . 17149 2
256 . 2 1 61 61 LEU CD1 C 13 25.03 0.10 . 1 . . . . 55 LEU CD1 . 17149 2
257 . 2 1 61 61 LEU CD2 C 13 23.65 0.10 . 1 . . . . 55 LEU CD2 . 17149 2
258 . 2 1 61 61 LEU N N 15 122.32 0.10 . 1 . . . . 55 LEU N . 17149 2
259 . 2 1 62 62 ALA H H 1 8.10 0.01 . 1 . . . . 56 ALA H . 17149 2
260 . 2 1 62 62 ALA HA H 1 4.30 0.10 . 1 . . . . 56 ALA HA . 17149 2
261 . 2 1 62 62 ALA CA C 13 50.48 0.10 . 1 . . . . 56 ALA CA . 17149 2
262 . 2 1 62 62 ALA CB C 13 17.76 0.10 . 1 . . . . 56 ALA CB . 17149 2
263 . 2 1 62 62 ALA N N 15 127.01 0.10 . 1 . . . . 56 ALA N . 17149 2
264 . 2 1 63 63 PRO HA H 1 4.38 0.10 . 1 . . . . 57 PRO HA . 17149 2
265 . 2 1 63 63 PRO C C 13 177.03 0.11 . 1 . . . . 57 PRO C . 17149 2
266 . 2 1 63 63 PRO CA C 13 63.26 0.10 . 1 . . . . 57 PRO CA . 17149 2
267 . 2 1 64 64 VAL H H 1 8.11 0.01 . 1 . . . . 58 VAL H . 17149 2
268 . 2 1 64 64 VAL HA H 1 4.12 0.10 . 1 . . . . 58 VAL HA . 17149 2
269 . 2 1 64 64 VAL C C 13 175.89 0.10 . 1 . . . . 58 VAL C . 17149 2
270 . 2 1 64 64 VAL CG1 C 13 21.38 0.10 . 1 . . . . 58 VAL CG1 . 17149 2
271 . 2 1 64 64 VAL CG2 C 13 20.24 0.10 . 1 . . . . 58 VAL CG2 . 17149 2
272 . 2 1 64 64 VAL N N 15 119.53 0.10 . 1 . . . . 58 VAL N . 17149 2
273 . 2 1 65 65 ASP H H 1 8.32 0.05 . 1 . . . . 59 ASP H . 17149 2
274 . 2 1 65 65 ASP HA H 1 4.58 0.10 . 1 . . . . 59 ASP HA . 17149 2
275 . 2 1 65 65 ASP C C 13 175.07 0.10 . 1 . . . . 59 ASP C . 17149 2
276 . 2 1 65 65 ASP CA C 13 54.14 0.28 . 1 . . . . 59 ASP CA . 17149 2
277 . 2 1 65 65 ASP N N 15 122.63 1.56 . 1 . . . . 59 ASP N . 17149 2
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