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 51861
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name LpMIP100-213_shifts
_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
6 '1H-15N heteronoe' . . . 51861 1
7 '3D HNCA' . . . 51861 1
8 '3D HN(CO)CA' . . . 51861 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 . . 51861 1
2 $software_2 . . 51861 1
3 $software_3 . . 51861 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 GLY CA C 13 44.755 0.000 . 1 . . . . . 100 GLY CA . 51861 1
2 . 1 . 1 2 2 VAL H H 1 8.009 0.001 . 1 . . . . . 101 VAL H . 51861 1
3 . 1 . 1 2 2 VAL CA C 13 62.086 0.012 . 1 . . . . . 101 VAL CA . 51861 1
4 . 1 . 1 2 2 VAL N N 15 119.676 0.021 . 1 . . . . . 101 VAL N . 51861 1
5 . 1 . 1 3 3 VAL H H 1 8.946 0.003 . 1 . . . . . 102 VAL H . 51861 1
6 . 1 . 1 3 3 VAL CA C 13 61.927 0.000 . 1 . . . . . 102 VAL CA . 51861 1
7 . 1 . 1 3 3 VAL N N 15 130.750 0.026 . 1 . . . . . 102 VAL N . 51861 1
8 . 1 . 1 4 4 VAL H H 1 8.230 0.005 . 1 . . . . . 103 VAL H . 51861 1
9 . 1 . 1 4 4 VAL CA C 13 61.382 0.021 . 1 . . . . . 103 VAL CA . 51861 1
10 . 1 . 1 4 4 VAL N N 15 125.203 0.021 . 1 . . . . . 103 VAL N . 51861 1
11 . 1 . 1 5 5 LEU H H 1 8.880 0.004 . 1 . . . . . 104 LEU H . 51861 1
12 . 1 . 1 5 5 LEU CA C 13 53.108 0.000 . 1 . . . . . 104 LEU CA . 51861 1
13 . 1 . 1 5 5 LEU N N 15 129.077 0.020 . 1 . . . . . 104 LEU N . 51861 1
14 . 1 . 1 6 6 PRO CA C 13 65.372 0.000 . 1 . . . . . 105 PRO CA . 51861 1
15 . 1 . 1 7 7 SER H H 1 8.259 0.003 . 1 . . . . . 106 SER H . 51861 1
16 . 1 . 1 7 7 SER CA C 13 58.964 0.018 . 1 . . . . . 106 SER CA . 51861 1
17 . 1 . 1 7 7 SER N N 15 111.408 0.022 . 1 . . . . . 106 SER N . 51861 1
18 . 1 . 1 8 8 GLY H H 1 8.317 0.003 . 1 . . . . . 107 GLY H . 51861 1
19 . 1 . 1 8 8 GLY CA C 13 44.301 0.010 . 1 . . . . . 107 GLY CA . 51861 1
20 . 1 . 1 8 8 GLY N N 15 109.997 0.027 . 1 . . . . . 107 GLY N . 51861 1
21 . 1 . 1 9 9 LEU H H 1 7.809 0.003 . 1 . . . . . 108 LEU H . 51861 1
22 . 1 . 1 9 9 LEU CA C 13 56.537 0.035 . 1 . . . . . 108 LEU CA . 51861 1
23 . 1 . 1 9 9 LEU N N 15 123.588 0.029 . 1 . . . . . 108 LEU N . 51861 1
24 . 1 . 1 10 10 GLN H H 1 8.020 0.004 . 1 . . . . . 109 GLN H . 51861 1
25 . 1 . 1 10 10 GLN CA C 13 53.220 0.013 . 1 . . . . . 109 GLN CA . 51861 1
26 . 1 . 1 10 10 GLN N N 15 121.335 0.013 . 1 . . . . . 109 GLN N . 51861 1
27 . 1 . 1 11 11 TYR H H 1 9.103 0.004 . 1 . . . . . 110 TYR H . 51861 1
28 . 1 . 1 11 11 TYR CA C 13 56.450 0.007 . 1 . . . . . 110 TYR CA . 51861 1
29 . 1 . 1 11 11 TYR N N 15 117.495 0.018 . 1 . . . . . 110 TYR N . 51861 1
30 . 1 . 1 12 12 LYS H H 1 9.437 0.003 . 1 . . . . . 111 LYS H . 51861 1
31 . 1 . 1 12 12 LYS CA C 13 54.626 0.001 . 1 . . . . . 111 LYS CA . 51861 1
32 . 1 . 1 12 12 LYS N N 15 119.761 0.016 . 1 . . . . . 111 LYS N . 51861 1
33 . 1 . 1 13 13 VAL H H 1 8.828 0.003 . 1 . . . . . 112 VAL H . 51861 1
34 . 1 . 1 13 13 VAL CA C 13 64.140 0.013 . 1 . . . . . 112 VAL CA . 51861 1
35 . 1 . 1 13 13 VAL N N 15 126.920 0.017 . 1 . . . . . 112 VAL N . 51861 1
36 . 1 . 1 14 14 ILE H H 1 8.489 0.003 . 1 . . . . . 113 ILE H . 51861 1
37 . 1 . 1 14 14 ILE CA C 13 62.555 0.074 . 1 . . . . . 113 ILE CA . 51861 1
38 . 1 . 1 14 14 ILE N N 15 129.884 0.012 . 1 . . . . . 113 ILE N . 51861 1
39 . 1 . 1 15 15 ASN H H 1 8.679 0.004 . 1 . . . . . 114 ASN H . 51861 1
40 . 1 . 1 15 15 ASN CA C 13 53.294 0.000 . 1 . . . . . 114 ASN CA . 51861 1
41 . 1 . 1 15 15 ASN N N 15 115.590 0.007 . 1 . . . . . 114 ASN N . 51861 1
42 . 1 . 1 16 16 SER CA C 13 58.284 0.000 . 1 . . . . . 115 SER CA . 51861 1
43 . 1 . 1 17 17 GLY H H 1 8.241 0.005 . 1 . . . . . 116 GLY H . 51861 1
44 . 1 . 1 17 17 GLY CA C 13 43.599 0.000 . 1 . . . . . 116 GLY CA . 51861 1
45 . 1 . 1 17 17 GLY N N 15 112.872 0.014 . 1 . . . . . 116 GLY N . 51861 1
46 . 1 . 1 18 18 ASN CA C 13 52.429 0.000 . 1 . . . . . 117 ASN CA . 51861 1
47 . 1 . 1 19 19 GLY H H 1 8.217 0.001 . 1 . . . . . 118 GLY H . 51861 1
48 . 1 . 1 19 19 GLY CA C 13 44.542 0.007 . 1 . . . . . 118 GLY CA . 51861 1
49 . 1 . 1 19 19 GLY N N 15 108.460 0.043 . 1 . . . . . 118 GLY N . 51861 1
50 . 1 . 1 20 20 VAL H H 1 8.028 0.002 . 1 . . . . . 119 VAL H . 51861 1
51 . 1 . 1 20 20 VAL CA C 13 61.741 0.014 . 1 . . . . . 119 VAL CA . 51861 1
52 . 1 . 1 20 20 VAL N N 15 115.297 0.021 . 1 . . . . . 119 VAL N . 51861 1
53 . 1 . 1 21 21 LYS H H 1 8.064 0.002 . 1 . . . . . 120 LYS H . 51861 1
54 . 1 . 1 21 21 LYS CA C 13 53.090 0.000 . 1 . . . . . 120 LYS CA . 51861 1
55 . 1 . 1 21 21 LYS N N 15 122.265 0.015 . 1 . . . . . 120 LYS N . 51861 1
56 . 1 . 1 22 22 PRO CA C 13 62.383 0.000 . 1 . . . . . 121 PRO CA . 51861 1
57 . 1 . 1 23 23 GLY H H 1 9.451 0.004 . 1 . . . . . 122 GLY H . 51861 1
58 . 1 . 1 23 23 GLY CA C 13 43.275 0.007 . 1 . . . . . 122 GLY CA . 51861 1
59 . 1 . 1 23 23 GLY N N 15 109.828 0.014 . 1 . . . . . 122 GLY N . 51861 1
60 . 1 . 1 24 24 LYS H H 1 8.198 0.002 . 1 . . . . . 123 LYS H . 51861 1
61 . 1 . 1 24 24 LYS CA C 13 59.627 0.008 . 1 . . . . . 123 LYS CA . 51861 1
62 . 1 . 1 24 24 LYS N N 15 116.911 0.014 . 1 . . . . . 123 LYS N . 51861 1
63 . 1 . 1 25 25 SER H H 1 8.280 0.008 . 1 . . . . . 124 SER H . 51861 1
64 . 1 . 1 25 25 SER CA C 13 57.544 0.064 . 1 . . . . . 124 SER CA . 51861 1
65 . 1 . 1 25 25 SER N N 15 109.866 0.011 . 1 . . . . . 124 SER N . 51861 1
66 . 1 . 1 26 26 ASP H H 1 7.326 0.004 . 1 . . . . . 125 ASP H . 51861 1
67 . 1 . 1 26 26 ASP CA C 13 55.179 0.056 . 1 . . . . . 125 ASP CA . 51861 1
68 . 1 . 1 26 26 ASP N N 15 122.329 0.022 . 1 . . . . . 125 ASP N . 51861 1
69 . 1 . 1 27 27 THR H H 1 8.481 0.003 . 1 . . . . . 126 THR H . 51861 1
70 . 1 . 1 27 27 THR CA C 13 62.477 0.026 . 1 . . . . . 126 THR CA . 51861 1
71 . 1 . 1 27 27 THR N N 15 116.251 0.010 . 1 . . . . . 126 THR N . 51861 1
72 . 1 . 1 28 28 VAL H H 1 9.211 0.005 . 1 . . . . . 127 VAL H . 51861 1
73 . 1 . 1 28 28 VAL CA C 13 58.222 0.010 . 1 . . . . . 127 VAL CA . 51861 1
74 . 1 . 1 28 28 VAL N N 15 118.422 0.015 . 1 . . . . . 127 VAL N . 51861 1
75 . 1 . 1 29 29 THR H H 1 8.089 0.003 . 1 . . . . . 128 THR H . 51861 1
76 . 1 . 1 29 29 THR CA C 13 61.616 0.024 . 1 . . . . . 128 THR CA . 51861 1
77 . 1 . 1 29 29 THR N N 15 117.297 0.014 . 1 . . . . . 128 THR N . 51861 1
78 . 1 . 1 30 30 VAL H H 1 9.537 0.003 . 1 . . . . . 129 VAL H . 51861 1
79 . 1 . 1 30 30 VAL CA C 13 58.496 0.009 . 1 . . . . . 129 VAL CA . 51861 1
80 . 1 . 1 30 30 VAL N N 15 119.036 0.026 . 1 . . . . . 129 VAL N . 51861 1
81 . 1 . 1 31 31 GLU H H 1 8.656 0.004 . 1 . . . . . 130 GLU H . 51861 1
82 . 1 . 1 31 31 GLU CA C 13 54.907 0.032 . 1 . . . . . 130 GLU CA . 51861 1
83 . 1 . 1 31 31 GLU N N 15 119.858 0.008 . 1 . . . . . 130 GLU N . 51861 1
84 . 1 . 1 32 32 TYR H H 1 8.779 0.002 . 1 . . . . . 131 TYR H . 51861 1
85 . 1 . 1 32 32 TYR CA C 13 56.974 0.001 . 1 . . . . . 131 TYR CA . 51861 1
86 . 1 . 1 32 32 TYR N N 15 119.452 0.106 . 1 . . . . . 131 TYR N . 51861 1
87 . 1 . 1 33 33 THR H H 1 8.640 0.004 . 1 . . . . . 132 THR H . 51861 1
88 . 1 . 1 33 33 THR CA C 13 62.498 0.012 . 1 . . . . . 132 THR CA . 51861 1
89 . 1 . 1 33 33 THR N N 15 114.012 0.019 . 1 . . . . . 132 THR N . 51861 1
90 . 1 . 1 34 34 GLY H H 1 9.408 0.002 . 1 . . . . . 133 GLY H . 51861 1
91 . 1 . 1 34 34 GLY CA C 13 45.422 0.019 . 1 . . . . . 133 GLY CA . 51861 1
92 . 1 . 1 34 34 GLY N N 15 115.969 0.020 . 1 . . . . . 133 GLY N . 51861 1
93 . 1 . 1 35 35 ARG H H 1 9.516 0.008 . 1 . . . . . 134 ARG H . 51861 1
94 . 1 . 1 35 35 ARG CA C 13 53.689 0.022 . 1 . . . . . 134 ARG CA . 51861 1
95 . 1 . 1 35 35 ARG N N 15 125.105 0.026 . 1 . . . . . 134 ARG N . 51861 1
96 . 1 . 1 36 36 LEU H H 1 8.488 0.004 . 1 . . . . . 135 LEU H . 51861 1
97 . 1 . 1 36 36 LEU CA C 13 52.964 0.003 . 1 . . . . . 135 LEU CA . 51861 1
98 . 1 . 1 36 36 LEU N N 15 118.436 0.009 . 1 . . . . . 135 LEU N . 51861 1
99 . 1 . 1 37 37 ILE H H 1 9.550 0.002 . 1 . . . . . 136 ILE H . 51861 1
100 . 1 . 1 37 37 ILE CA C 13 63.941 0.025 . 1 . . . . . 136 ILE CA . 51861 1
101 . 1 . 1 37 37 ILE N N 15 121.678 0.011 . 1 . . . . . 136 ILE N . 51861 1
102 . 1 . 1 38 38 ASP H H 1 7.656 0.003 . 1 . . . . . 137 ASP H . 51861 1
103 . 1 . 1 38 38 ASP CA C 13 53.861 0.044 . 1 . . . . . 137 ASP CA . 51861 1
104 . 1 . 1 38 38 ASP N N 15 117.685 0.016 . 1 . . . . . 137 ASP N . 51861 1
105 . 1 . 1 39 39 GLY H H 1 8.208 0.004 . 1 . . . . . 138 GLY H . 51861 1
106 . 1 . 1 39 39 GLY CA C 13 44.884 0.038 . 1 . . . . . 138 GLY CA . 51861 1
107 . 1 . 1 39 39 GLY N N 15 108.642 0.017 . 1 . . . . . 138 GLY N . 51861 1
108 . 1 . 1 40 40 THR H H 1 8.303 0.003 . 1 . . . . . 139 THR H . 51861 1
109 . 1 . 1 40 40 THR CA C 13 64.744 0.033 . 1 . . . . . 139 THR CA . 51861 1
110 . 1 . 1 40 40 THR N N 15 118.879 0.014 . 1 . . . . . 139 THR N . 51861 1
111 . 1 . 1 41 41 VAL H H 1 8.824 0.004 . 1 . . . . . 140 VAL H . 51861 1
112 . 1 . 1 41 41 VAL CA C 13 62.703 0.010 . 1 . . . . . 140 VAL CA . 51861 1
113 . 1 . 1 41 41 VAL N N 15 128.971 0.022 . 1 . . . . . 140 VAL N . 51861 1
114 . 1 . 1 42 42 PHE H H 1 8.304 0.004 . 1 . . . . . 141 PHE H . 51861 1
115 . 1 . 1 42 42 PHE CA C 13 56.273 0.002 . 1 . . . . . 141 PHE CA . 51861 1
116 . 1 . 1 42 42 PHE N N 15 124.457 0.016 . 1 . . . . . 141 PHE N . 51861 1
117 . 1 . 1 43 43 ASP H H 1 7.129 0.007 . 1 . . . . . 142 ASP H . 51861 1
118 . 1 . 1 43 43 ASP CA C 13 54.888 0.028 . 1 . . . . . 142 ASP CA . 51861 1
119 . 1 . 1 43 43 ASP N N 15 120.450 0.018 . 1 . . . . . 142 ASP N . 51861 1
120 . 1 . 1 44 44 SER H H 1 8.272 0.004 . 1 . . . . . 143 SER H . 51861 1
121 . 1 . 1 44 44 SER CA C 13 57.252 0.039 . 1 . . . . . 143 SER CA . 51861 1
122 . 1 . 1 44 44 SER N N 15 116.998 0.017 . 1 . . . . . 143 SER N . 51861 1
123 . 1 . 1 45 45 THR H H 1 8.666 0.005 . 1 . . . . . 144 THR H . 51861 1
124 . 1 . 1 45 45 THR CA C 13 63.782 0.017 . 1 . . . . . 144 THR CA . 51861 1
125 . 1 . 1 45 45 THR N N 15 116.570 0.021 . 1 . . . . . 144 THR N . 51861 1
126 . 1 . 1 46 46 GLU H H 1 8.541 0.003 . 1 . . . . . 145 GLU H . 51861 1
127 . 1 . 1 46 46 GLU CA C 13 58.811 0.000 . 1 . . . . . 145 GLU CA . 51861 1
128 . 1 . 1 46 46 GLU N N 15 123.167 0.028 . 1 . . . . . 145 GLU N . 51861 1
129 . 1 . 1 48 48 THR H H 1 7.634 0.006 . 1 . . . . . 147 THR H . 51861 1
130 . 1 . 1 48 48 THR CA C 13 62.486 0.024 . 1 . . . . . 147 THR CA . 51861 1
131 . 1 . 1 48 48 THR N N 15 108.167 0.032 . 1 . . . . . 147 THR N . 51861 1
132 . 1 . 1 49 49 GLY H H 1 8.093 0.004 . 1 . . . . . 148 GLY H . 51861 1
133 . 1 . 1 49 49 GLY CA C 13 45.867 0.005 . 1 . . . . . 148 GLY CA . 51861 1
134 . 1 . 1 49 49 GLY N N 15 109.981 0.018 . 1 . . . . . 148 GLY N . 51861 1
135 . 1 . 1 50 50 LYS H H 1 7.754 0.003 . 1 . . . . . 149 LYS H . 51861 1
136 . 1 . 1 50 50 LYS CA C 13 53.411 0.000 . 1 . . . . . 149 LYS CA . 51861 1
137 . 1 . 1 50 50 LYS N N 15 119.575 0.015 . 1 . . . . . 149 LYS N . 51861 1
138 . 1 . 1 51 51 PRO CA C 13 62.737 0.000 . 1 . . . . . 150 PRO CA . 51861 1
139 . 1 . 1 52 52 ALA H H 1 8.950 0.003 . 1 . . . . . 151 ALA H . 51861 1
140 . 1 . 1 52 52 ALA CA C 13 51.113 0.020 . 1 . . . . . 151 ALA CA . 51861 1
141 . 1 . 1 52 52 ALA N N 15 125.108 0.016 . 1 . . . . . 151 ALA N . 51861 1
142 . 1 . 1 53 53 THR H H 1 8.237 0.005 . 1 . . . . . 152 THR H . 51861 1
143 . 1 . 1 53 53 THR CA C 13 60.846 0.043 . 1 . . . . . 152 THR CA . 51861 1
144 . 1 . 1 53 53 THR N N 15 116.982 0.016 . 1 . . . . . 152 THR N . 51861 1
145 . 1 . 1 54 54 PHE H H 1 8.671 0.003 . 1 . . . . . 153 PHE H . 51861 1
146 . 1 . 1 54 54 PHE CA C 13 55.834 0.046 . 1 . . . . . 153 PHE CA . 51861 1
147 . 1 . 1 54 54 PHE N N 15 121.519 0.020 . 1 . . . . . 153 PHE N . 51861 1
148 . 1 . 1 55 55 GLN H H 1 9.005 0.004 . 1 . . . . . 154 GLN H . 51861 1
149 . 1 . 1 55 55 GLN CA C 13 55.880 0.030 . 1 . . . . . 154 GLN CA . 51861 1
150 . 1 . 1 55 55 GLN N N 15 121.484 0.007 . 1 . . . . . 154 GLN N . 51861 1
151 . 1 . 1 56 56 VAL H H 1 8.616 0.004 . 1 . . . . . 155 VAL H . 51861 1
152 . 1 . 1 56 56 VAL CA C 13 67.324 0.019 . 1 . . . . . 155 VAL CA . 51861 1
153 . 1 . 1 56 56 VAL N N 15 126.482 0.016 . 1 . . . . . 155 VAL N . 51861 1
154 . 1 . 1 57 57 SER H H 1 8.049 0.003 . 1 . . . . . 156 SER H . 51861 1
155 . 1 . 1 57 57 SER CA C 13 59.500 0.039 . 1 . . . . . 156 SER CA . 51861 1
156 . 1 . 1 57 57 SER N N 15 110.832 0.014 . 1 . . . . . 156 SER N . 51861 1
157 . 1 . 1 58 58 GLN H H 1 7.967 0.004 . 1 . . . . . 157 GLN H . 51861 1
158 . 1 . 1 58 58 GLN CA C 13 55.538 0.030 . 1 . . . . . 157 GLN CA . 51861 1
159 . 1 . 1 58 58 GLN N N 15 119.625 0.023 . 1 . . . . . 157 GLN N . 51861 1
160 . 1 . 1 59 59 VAL H H 1 6.692 0.004 . 1 . . . . . 158 VAL H . 51861 1
161 . 1 . 1 59 59 VAL CA C 13 59.961 0.000 . 1 . . . . . 158 VAL CA . 51861 1
162 . 1 . 1 59 59 VAL N N 15 111.759 0.010 . 1 . . . . . 158 VAL N . 51861 1
163 . 1 . 1 61 61 PRO CA C 13 66.010 0.000 . 1 . . . . . 160 PRO CA . 51861 1
164 . 1 . 1 62 62 GLY H H 1 9.100 0.003 . 1 . . . . . 161 GLY H . 51861 1
165 . 1 . 1 62 62 GLY CA C 13 47.611 0.003 . 1 . . . . . 161 GLY CA . 51861 1
166 . 1 . 1 62 62 GLY N N 15 103.440 0.023 . 1 . . . . . 161 GLY N . 51861 1
167 . 1 . 1 63 63 TRP H H 1 7.770 0.002 . 1 . . . . . 162 TRP H . 51861 1
168 . 1 . 1 63 63 TRP CA C 13 59.612 0.014 . 1 . . . . . 162 TRP CA . 51861 1
169 . 1 . 1 63 63 TRP N N 15 118.201 0.013 . 1 . . . . . 162 TRP N . 51861 1
170 . 1 . 1 64 64 THR H H 1 8.240 0.006 . 1 . . . . . 163 THR H . 51861 1
171 . 1 . 1 64 64 THR CA C 13 67.716 0.016 . 1 . . . . . 163 THR CA . 51861 1
172 . 1 . 1 64 64 THR N N 15 117.178 0.046 . 1 . . . . . 163 THR N . 51861 1
173 . 1 . 1 65 65 GLU H H 1 8.022 0.003 . 1 . . . . . 164 GLU H . 51861 1
174 . 1 . 1 65 65 GLU CA C 13 59.404 0.019 . 1 . . . . . 164 GLU CA . 51861 1
175 . 1 . 1 65 65 GLU N N 15 118.961 0.016 . 1 . . . . . 164 GLU N . 51861 1
176 . 1 . 1 66 66 ALA H H 1 7.533 0.003 . 1 . . . . . 165 ALA H . 51861 1
177 . 1 . 1 66 66 ALA CA C 13 55.320 0.034 . 1 . . . . . 165 ALA CA . 51861 1
178 . 1 . 1 66 66 ALA N N 15 118.455 0.016 . 1 . . . . . 165 ALA N . 51861 1
179 . 1 . 1 67 67 LEU H H 1 8.727 0.004 . 1 . . . . . 166 LEU H . 51861 1
180 . 1 . 1 67 67 LEU CA C 13 58.029 0.013 . 1 . . . . . 166 LEU CA . 51861 1
181 . 1 . 1 67 67 LEU N N 15 113.871 0.015 . 1 . . . . . 166 LEU N . 51861 1
182 . 1 . 1 68 68 GLN H H 1 6.472 0.004 . 1 . . . . . 167 GLN H . 51861 1
183 . 1 . 1 68 68 GLN CA C 13 57.459 0.000 . 1 . . . . . 167 GLN CA . 51861 1
184 . 1 . 1 68 68 GLN N N 15 108.940 0.012 . 1 . . . . . 167 GLN N . 51861 1
185 . 1 . 1 69 69 LEU H H 1 7.404 0.004 . 1 . . . . . 168 LEU H . 51861 1
186 . 1 . 1 69 69 LEU CA C 13 54.331 0.006 . 1 . . . . . 168 LEU CA . 51861 1
187 . 1 . 1 69 69 LEU N N 15 117.213 0.022 . 1 . . . . . 168 LEU N . 51861 1
188 . 1 . 1 70 70 MET H H 1 6.990 0.005 . 1 . . . . . 169 MET H . 51861 1
189 . 1 . 1 70 70 MET CA C 13 54.438 0.000 . 1 . . . . . 169 MET CA . 51861 1
190 . 1 . 1 70 70 MET N N 15 121.145 0.014 . 1 . . . . . 169 MET N . 51861 1
191 . 1 . 1 71 71 PRO CA C 13 61.689 0.000 . 1 . . . . . 170 PRO CA . 51861 1
192 . 1 . 1 72 72 ALA H H 1 8.647 0.003 . 1 . . . . . 171 ALA H . 51861 1
193 . 1 . 1 72 72 ALA CA C 13 54.896 0.020 . 1 . . . . . 171 ALA CA . 51861 1
194 . 1 . 1 72 72 ALA N N 15 129.006 0.030 . 1 . . . . . 171 ALA N . 51861 1
195 . 1 . 1 73 73 GLY H H 1 8.693 0.008 . 1 . . . . . 172 GLY H . 51861 1
196 . 1 . 1 73 73 GLY CA C 13 44.760 0.012 . 1 . . . . . 172 GLY CA . 51861 1
197 . 1 . 1 73 73 GLY N N 15 109.586 0.019 . 1 . . . . . 172 GLY N . 51861 1
198 . 1 . 1 74 74 SER H H 1 7.823 0.003 . 1 . . . . . 173 SER H . 51861 1
199 . 1 . 1 74 74 SER CA C 13 59.265 0.028 . 1 . . . . . 173 SER CA . 51861 1
200 . 1 . 1 74 74 SER N N 15 116.525 0.012 . 1 . . . . . 173 SER N . 51861 1
201 . 1 . 1 75 75 THR H H 1 9.315 0.004 . 1 . . . . . 174 THR H . 51861 1
202 . 1 . 1 75 75 THR CA C 13 62.275 0.030 . 1 . . . . . 174 THR CA . 51861 1
203 . 1 . 1 75 75 THR N N 15 118.208 0.015 . 1 . . . . . 174 THR N . 51861 1
204 . 1 . 1 76 76 TRP H H 1 9.277 0.005 . 1 . . . . . 175 TRP H . 51861 1
205 . 1 . 1 76 76 TRP HE1 H 1 10.570 0.007 . 1 . . . . . 175 TRP HE1 . 51861 1
206 . 1 . 1 76 76 TRP CA C 13 54.375 0.031 . 1 . . . . . 175 TRP CA . 51861 1
207 . 1 . 1 76 76 TRP N N 15 129.172 0.020 . 1 . . . . . 175 TRP N . 51861 1
208 . 1 . 1 76 76 TRP NE1 N 15 127.172 0.048 . 1 . . . . . 175 TRP NE1 . 51861 1
209 . 1 . 1 77 77 GLU H H 1 9.385 0.003 . 1 . . . . . 176 GLU H . 51861 1
210 . 1 . 1 77 77 GLU CA C 13 55.497 0.016 . 1 . . . . . 176 GLU CA . 51861 1
211 . 1 . 1 77 77 GLU N N 15 122.013 0.017 . 1 . . . . . 176 GLU N . 51861 1
212 . 1 . 1 78 78 ILE H H 1 9.541 0.003 . 1 . . . . . 177 ILE H . 51861 1
213 . 1 . 1 78 78 ILE CA C 13 59.521 0.016 . 1 . . . . . 177 ILE CA . 51861 1
214 . 1 . 1 78 78 ILE N N 15 120.920 0.017 . 1 . . . . . 177 ILE N . 51861 1
215 . 1 . 1 79 79 TYR H H 1 9.192 0.004 . 1 . . . . . 178 TYR H . 51861 1
216 . 1 . 1 79 79 TYR CA C 13 56.198 0.044 . 1 . . . . . 178 TYR CA . 51861 1
217 . 1 . 1 79 79 TYR N N 15 125.936 0.013 . 1 . . . . . 178 TYR N . 51861 1
218 . 1 . 1 80 80 VAL H H 1 9.716 0.004 . 1 . . . . . 179 VAL H . 51861 1
219 . 1 . 1 80 80 VAL CA C 13 59.434 0.000 . 1 . . . . . 179 VAL CA . 51861 1
220 . 1 . 1 80 80 VAL N N 15 125.535 0.027 . 1 . . . . . 179 VAL N . 51861 1
221 . 1 . 1 81 81 PRO CA C 13 62.589 0.000 . 1 . . . . . 180 PRO CA . 51861 1
222 . 1 . 1 82 82 SER H H 1 8.718 0.003 . 1 . . . . . 181 SER H . 51861 1
223 . 1 . 1 82 82 SER CA C 13 61.765 0.051 . 1 . . . . . 181 SER CA . 51861 1
224 . 1 . 1 82 82 SER N N 15 117.392 0.011 . 1 . . . . . 181 SER N . 51861 1
225 . 1 . 1 83 83 GLY H H 1 8.782 0.002 . 1 . . . . . 182 GLY H . 51861 1
226 . 1 . 1 83 83 GLY CA C 13 46.418 0.007 . 1 . . . . . 182 GLY CA . 51861 1
227 . 1 . 1 83 83 GLY N N 15 108.552 0.033 . 1 . . . . . 182 GLY N . 51861 1
228 . 1 . 1 84 84 LEU H H 1 7.919 0.003 . 1 . . . . . 183 LEU H . 51861 1
229 . 1 . 1 84 84 LEU CA C 13 54.145 0.001 . 1 . . . . . 183 LEU CA . 51861 1
230 . 1 . 1 84 84 LEU N N 15 118.994 0.020 . 1 . . . . . 183 LEU N . 51861 1
231 . 1 . 1 85 85 ALA H H 1 7.769 0.004 . 1 . . . . . 184 ALA H . 51861 1
232 . 1 . 1 85 85 ALA CA C 13 52.223 0.013 . 1 . . . . . 184 ALA CA . 51861 1
233 . 1 . 1 85 85 ALA N N 15 122.697 0.024 . 1 . . . . . 184 ALA N . 51861 1
234 . 1 . 1 86 86 TYR H H 1 7.882 0.004 . 1 . . . . . 185 TYR H . 51861 1
235 . 1 . 1 86 86 TYR CA C 13 57.960 0.015 . 1 . . . . . 185 TYR CA . 51861 1
236 . 1 . 1 86 86 TYR N N 15 117.350 0.018 . 1 . . . . . 185 TYR N . 51861 1
237 . 1 . 1 87 87 GLY H H 1 8.199 0.004 . 1 . . . . . 186 GLY H . 51861 1
238 . 1 . 1 87 87 GLY CA C 13 44.969 0.000 . 1 . . . . . 186 GLY CA . 51861 1
239 . 1 . 1 87 87 GLY N N 15 109.954 0.022 . 1 . . . . . 186 GLY N . 51861 1
240 . 1 . 1 89 89 ARG CA C 13 58.840 0.000 . 1 . . . . . 188 ARG CA . 51861 1
241 . 1 . 1 90 90 SER H H 1 7.608 0.007 . 1 . . . . . 189 SER H . 51861 1
242 . 1 . 1 90 90 SER CA C 13 58.580 0.085 . 1 . . . . . 189 SER CA . 51861 1
243 . 1 . 1 90 90 SER N N 15 117.658 0.019 . 1 . . . . . 189 SER N . 51861 1
244 . 1 . 1 91 91 VAL H H 1 8.052 0.003 . 1 . . . . . 190 VAL H . 51861 1
245 . 1 . 1 91 91 VAL CA C 13 62.544 0.035 . 1 . . . . . 190 VAL CA . 51861 1
246 . 1 . 1 91 91 VAL N N 15 121.067 0.037 . 1 . . . . . 190 VAL N . 51861 1
247 . 1 . 1 92 92 GLY H H 1 8.418 0.005 . 1 . . . . . 191 GLY H . 51861 1
248 . 1 . 1 92 92 GLY CA C 13 45.080 0.001 . 1 . . . . . 191 GLY CA . 51861 1
249 . 1 . 1 92 92 GLY N N 15 111.846 0.029 . 1 . . . . . 191 GLY N . 51861 1
250 . 1 . 1 93 93 GLY H H 1 8.030 0.004 . 1 . . . . . 192 GLY H . 51861 1
251 . 1 . 1 93 93 GLY CA C 13 44.472 0.000 . 1 . . . . . 192 GLY CA . 51861 1
252 . 1 . 1 93 93 GLY N N 15 108.741 0.014 . 1 . . . . . 192 GLY N . 51861 1
253 . 1 . 1 94 94 PRO CA C 13 63.282 0.000 . 1 . . . . . 193 PRO CA . 51861 1
254 . 1 . 1 95 95 ILE H H 1 7.948 0.004 . 1 . . . . . 194 ILE H . 51861 1
255 . 1 . 1 95 95 ILE CA C 13 60.846 0.024 . 1 . . . . . 194 ILE CA . 51861 1
256 . 1 . 1 95 95 ILE N N 15 119.892 0.039 . 1 . . . . . 194 ILE N . 51861 1
257 . 1 . 1 96 96 GLY H H 1 8.497 0.004 . 1 . . . . . 195 GLY H . 51861 1
258 . 1 . 1 96 96 GLY CA C 13 44.743 0.000 . 1 . . . . . 195 GLY CA . 51861 1
259 . 1 . 1 96 96 GLY N N 15 113.927 0.024 . 1 . . . . . 195 GLY N . 51861 1
260 . 1 . 1 97 97 PRO CA C 13 63.574 0.000 . 1 . . . . . 196 PRO CA . 51861 1
261 . 1 . 1 98 98 ASN H H 1 8.674 0.005 . 1 . . . . . 197 ASN H . 51861 1
262 . 1 . 1 98 98 ASN CA C 13 53.248 0.044 . 1 . . . . . 197 ASN CA . 51861 1
263 . 1 . 1 98 98 ASN N N 15 117.472 0.024 . 1 . . . . . 197 ASN N . 51861 1
264 . 1 . 1 99 99 GLU H H 1 7.819 0.003 . 1 . . . . . 198 GLU H . 51861 1
265 . 1 . 1 99 99 GLU CA C 13 56.286 0.017 . 1 . . . . . 198 GLU CA . 51861 1
266 . 1 . 1 99 99 GLU N N 15 120.383 0.022 . 1 . . . . . 198 GLU N . 51861 1
267 . 1 . 1 100 100 THR H H 1 8.254 0.003 . 1 . . . . . 199 THR H . 51861 1
268 . 1 . 1 100 100 THR CA C 13 63.097 0.010 . 1 . . . . . 199 THR CA . 51861 1
269 . 1 . 1 100 100 THR N N 15 118.835 0.012 . 1 . . . . . 199 THR N . 51861 1
270 . 1 . 1 101 101 LEU H H 1 8.733 0.005 . 1 . . . . . 200 LEU H . 51861 1
271 . 1 . 1 101 101 LEU CA C 13 53.596 0.047 . 1 . . . . . 200 LEU CA . 51861 1
272 . 1 . 1 101 101 LEU N N 15 125.556 0.021 . 1 . . . . . 200 LEU N . 51861 1
273 . 1 . 1 102 102 ILE H H 1 8.642 0.004 . 1 . . . . . 201 ILE H . 51861 1
274 . 1 . 1 102 102 ILE CA C 13 60.569 0.032 . 1 . . . . . 201 ILE CA . 51861 1
275 . 1 . 1 102 102 ILE N N 15 122.178 0.010 . 1 . . . . . 201 ILE N . 51861 1
276 . 1 . 1 103 103 PHE H H 1 9.440 0.004 . 1 . . . . . 202 PHE H . 51861 1
277 . 1 . 1 103 103 PHE CA C 13 55.657 0.026 . 1 . . . . . 202 PHE CA . 51861 1
278 . 1 . 1 103 103 PHE N N 15 122.766 0.022 . 1 . . . . . 202 PHE N . 51861 1
279 . 1 . 1 104 104 LYS H H 1 8.948 0.005 . 1 . . . . . 203 LYS H . 51861 1
280 . 1 . 1 104 104 LYS CA C 13 56.017 0.000 . 1 . . . . . 203 LYS CA . 51861 1
281 . 1 . 1 104 104 LYS N N 15 125.818 0.014 . 1 . . . . . 203 LYS N . 51861 1
282 . 1 . 1 105 105 ILE H H 1 9.269 0.005 . 1 . . . . . 204 ILE H . 51861 1
283 . 1 . 1 105 105 ILE CA C 13 60.471 0.004 . 1 . . . . . 204 ILE CA . 51861 1
284 . 1 . 1 105 105 ILE N N 15 125.945 0.009 . 1 . . . . . 204 ILE N . 51861 1
285 . 1 . 1 106 106 HIS H H 1 9.285 0.003 . 1 . . . . . 205 HIS H . 51861 1
286 . 1 . 1 106 106 HIS CA C 13 52.252 0.010 . 1 . . . . . 205 HIS CA . 51861 1
287 . 1 . 1 106 106 HIS N N 15 127.055 0.020 . 1 . . . . . 205 HIS N . 51861 1
288 . 1 . 1 107 107 LEU H H 1 8.531 0.003 . 1 . . . . . 206 LEU H . 51861 1
289 . 1 . 1 107 107 LEU CA C 13 54.241 0.012 . 1 . . . . . 206 LEU CA . 51861 1
290 . 1 . 1 107 107 LEU N N 15 129.095 0.021 . 1 . . . . . 206 LEU N . 51861 1
291 . 1 . 1 108 108 ILE H H 1 8.594 0.003 . 1 . . . . . 207 ILE H . 51861 1
292 . 1 . 1 108 108 ILE CA C 13 64.018 0.004 . 1 . . . . . 207 ILE CA . 51861 1
293 . 1 . 1 108 108 ILE N N 15 129.851 0.013 . 1 . . . . . 207 ILE N . 51861 1
294 . 1 . 1 109 109 SER H H 1 7.500 0.003 . 1 . . . . . 208 SER H . 51861 1
295 . 1 . 1 109 109 SER CA C 13 57.131 0.024 . 1 . . . . . 208 SER CA . 51861 1
296 . 1 . 1 109 109 SER N N 15 108.659 0.018 . 1 . . . . . 208 SER N . 51861 1
297 . 1 . 1 110 110 VAL H H 1 8.398 0.003 . 1 . . . . . 209 VAL H . 51861 1
298 . 1 . 1 110 110 VAL CA C 13 61.115 0.029 . 1 . . . . . 209 VAL CA . 51861 1
299 . 1 . 1 110 110 VAL N N 15 120.650 0.024 . 1 . . . . . 209 VAL N . 51861 1
300 . 1 . 1 111 111 LYS H H 1 9.141 0.004 . 1 . . . . . 210 LYS H . 51861 1
301 . 1 . 1 111 111 LYS CA C 13 54.978 0.012 . 1 . . . . . 210 LYS CA . 51861 1
302 . 1 . 1 111 111 LYS N N 15 129.222 0.017 . 1 . . . . . 210 LYS N . 51861 1
303 . 1 . 1 112 112 LYS H H 1 8.656 0.004 . 1 . . . . . 211 LYS H . 51861 1
304 . 1 . 1 112 112 LYS CA C 13 55.962 0.015 . 1 . . . . . 211 LYS CA . 51861 1
305 . 1 . 1 112 112 LYS N N 15 126.839 0.028 . 1 . . . . . 211 LYS N . 51861 1
306 . 1 . 1 113 113 SER H H 1 8.758 0.004 . 1 . . . . . 212 SER H . 51861 1
307 . 1 . 1 113 113 SER CA C 13 58.677 0.006 . 1 . . . . . 212 SER CA . 51861 1
308 . 1 . 1 113 113 SER N N 15 119.117 0.015 . 1 . . . . . 212 SER N . 51861 1
309 . 1 . 1 114 114 SER H H 1 7.998 0.003 . 1 . . . . . 213 SER H . 51861 1
310 . 1 . 1 114 114 SER CA C 13 60.018 0.000 . 1 . . . . . 213 SER CA . 51861 1
311 . 1 . 1 114 114 SER N N 15 123.202 0.011 . 1 . . . . . 213 SER N . 51861 1
stop_
save_