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 50817
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name '1H 15N and 13C chemical shift assignment of JIP1-SH3-Y526A'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D HNCO' . . . 50817 1
2 '3D HN(CO)CACB' . . . 50817 1
3 '3D HNCACB' . . . 50817 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 . . 50817 1
2 $software_2 . . 50817 1
3 $software_3 . . 50817 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 MET C C 13 174.796 . . 1 . . . . . 489 MET C . 50817 1
2 . 1 . 1 3 3 MET CA C 13 55.734 . . 1 . . . . . 489 MET CA . 50817 1
3 . 1 . 1 3 3 MET CB C 13 33.374 . . 1 . . . . . 489 MET CB . 50817 1
4 . 1 . 1 4 4 GLU H H 1 8.119 . . 1 . . . . . 490 GLU H . 50817 1
5 . 1 . 1 4 4 GLU C C 13 174.716 . . 1 . . . . . 490 GLU C . 50817 1
6 . 1 . 1 4 4 GLU CA C 13 55.342 . . 1 . . . . . 490 GLU CA . 50817 1
7 . 1 . 1 4 4 GLU CB C 13 31.433 . . 1 . . . . . 490 GLU CB . 50817 1
8 . 1 . 1 4 4 GLU N N 15 121.314 . . 1 . . . . . 490 GLU N . 50817 1
9 . 1 . 1 5 5 GLN H H 1 8.443 . . 1 . . . . . 491 GLN H . 50817 1
10 . 1 . 1 5 5 GLN C C 13 175.769 . . 1 . . . . . 491 GLN C . 50817 1
11 . 1 . 1 5 5 GLN CA C 13 56.738 . . 1 . . . . . 491 GLN CA . 50817 1
12 . 1 . 1 5 5 GLN CB C 13 29.155 . . 1 . . . . . 491 GLN CB . 50817 1
13 . 1 . 1 5 5 GLN N N 15 121.007 . . 1 . . . . . 491 GLN N . 50817 1
14 . 1 . 1 6 6 THR H H 1 9.267 . . 1 . . . . . 492 THR H . 50817 1
15 . 1 . 1 6 6 THR C C 13 176.144 . . 1 . . . . . 492 THR C . 50817 1
16 . 1 . 1 6 6 THR CA C 13 62.7 . . 1 . . . . . 492 THR CA . 50817 1
17 . 1 . 1 6 6 THR CB C 13 69.381 . . 1 . . . . . 492 THR CB . 50817 1
18 . 1 . 1 6 6 THR N N 15 114.453 . . 1 . . . . . 492 THR N . 50817 1
19 . 1 . 1 7 7 HIS H H 1 8.496 . . 1 . . . . . 493 HIS H . 50817 1
20 . 1 . 1 7 7 HIS C C 13 175.062 . . 1 . . . . . 493 HIS C . 50817 1
21 . 1 . 1 7 7 HIS CA C 13 56.244 . . 1 . . . . . 493 HIS CA . 50817 1
22 . 1 . 1 7 7 HIS CB C 13 37.959 . . 1 . . . . . 493 HIS CB . 50817 1
23 . 1 . 1 7 7 HIS N N 15 121.624 . . 1 . . . . . 493 HIS N . 50817 1
24 . 1 . 1 8 8 ARG H H 1 9.416 . . 1 . . . . . 494 ARG H . 50817 1
25 . 1 . 1 8 8 ARG C C 13 174.863 . . 1 . . . . . 494 ARG C . 50817 1
26 . 1 . 1 8 8 ARG CA C 13 53.928 . . 1 . . . . . 494 ARG CA . 50817 1
27 . 1 . 1 8 8 ARG CB C 13 34.567 . . 1 . . . . . 494 ARG CB . 50817 1
28 . 1 . 1 8 8 ARG N N 15 120.965 . . 1 . . . . . 494 ARG N . 50817 1
29 . 1 . 1 9 9 ALA H H 1 8.648 . . 1 . . . . . 495 ALA H . 50817 1
30 . 1 . 1 9 9 ALA C C 13 179.487 . . 1 . . . . . 495 ALA C . 50817 1
31 . 1 . 1 9 9 ALA CA C 13 51.932 . . 1 . . . . . 495 ALA CA . 50817 1
32 . 1 . 1 9 9 ALA CB C 13 20.901 . . 1 . . . . . 495 ALA CB . 50817 1
33 . 1 . 1 9 9 ALA N N 15 125.689 . . 1 . . . . . 495 ALA N . 50817 1
34 . 1 . 1 10 10 ILE H H 1 8.794 . . 1 . . . . . 496 ILE H . 50817 1
35 . 1 . 1 10 10 ILE C C 13 173.654 . . 1 . . . . . 496 ILE C . 50817 1
36 . 1 . 1 10 10 ILE CA C 13 61.06 . . 1 . . . . . 496 ILE CA . 50817 1
37 . 1 . 1 10 10 ILE CB C 13 39.615 . . 1 . . . . . 496 ILE CB . 50817 1
38 . 1 . 1 10 10 ILE N N 15 115.532 . . 1 . . . . . 496 ILE N . 50817 1
39 . 1 . 1 11 11 PHE H H 1 6.843 . . 1 . . . . . 497 PHE H . 50817 1
40 . 1 . 1 11 11 PHE C C 13 172.071 . . 1 . . . . . 497 PHE C . 50817 1
41 . 1 . 1 11 11 PHE CA C 13 55.73 . . 1 . . . . . 497 PHE CA . 50817 1
42 . 1 . 1 11 11 PHE CB C 13 42.949 . . 1 . . . . . 497 PHE CB . 50817 1
43 . 1 . 1 11 11 PHE N N 15 117.09 . . 1 . . . . . 497 PHE N . 50817 1
44 . 1 . 1 12 12 ARG H H 1 7.205 . . 1 . . . . . 498 ARG H . 50817 1
45 . 1 . 1 12 12 ARG C C 13 174.239 . . 1 . . . . . 498 ARG C . 50817 1
46 . 1 . 1 12 12 ARG CA C 13 55.441 . . 1 . . . . . 498 ARG CA . 50817 1
47 . 1 . 1 12 12 ARG CB C 13 31.348 . . 1 . . . . . 498 ARG CB . 50817 1
48 . 1 . 1 12 12 ARG N N 15 118.731 . . 1 . . . . . 498 ARG N . 50817 1
49 . 1 . 1 13 13 PHE H H 1 8.71 . . 1 . . . . . 499 PHE H . 50817 1
50 . 1 . 1 13 13 PHE C C 13 173.035 . . 1 . . . . . 499 PHE C . 50817 1
51 . 1 . 1 13 13 PHE CA C 13 57.05 . . 1 . . . . . 499 PHE CA . 50817 1
52 . 1 . 1 13 13 PHE CB C 13 43.132 . . 1 . . . . . 499 PHE CB . 50817 1
53 . 1 . 1 13 13 PHE N N 15 125.959 . . 1 . . . . . 499 PHE N . 50817 1
54 . 1 . 1 14 14 VAL H H 1 8.995 . . 1 . . . . . 500 VAL H . 50817 1
55 . 1 . 1 14 14 VAL CA C 13 59.044 . . 1 . . . . . 500 VAL CA . 50817 1
56 . 1 . 1 14 14 VAL CB C 13 32.908 . . 1 . . . . . 500 VAL CB . 50817 1
57 . 1 . 1 14 14 VAL N N 15 130.014 . . 1 . . . . . 500 VAL N . 50817 1
58 . 1 . 1 15 15 PRO C C 13 178.116 . . 1 . . . . . 501 PRO C . 50817 1
59 . 1 . 1 15 15 PRO CA C 13 63.759 . . 1 . . . . . 501 PRO CA . 50817 1
60 . 1 . 1 15 15 PRO CB C 13 34.258 . . 1 . . . . . 501 PRO CB . 50817 1
61 . 1 . 1 16 16 ARG H H 1 9.156 . . 1 . . . . . 502 ARG H . 50817 1
62 . 1 . 1 16 16 ARG C C 13 175.01 . . 1 . . . . . 502 ARG C . 50817 1
63 . 1 . 1 16 16 ARG CA C 13 56.869 . . 1 . . . . . 502 ARG CA . 50817 1
64 . 1 . 1 16 16 ARG CB C 13 32.988 . . 1 . . . . . 502 ARG CB . 50817 1
65 . 1 . 1 16 16 ARG N N 15 120.442 . . 1 . . . . . 502 ARG N . 50817 1
66 . 1 . 1 17 17 HIS H H 1 8.525 . . 1 . . . . . 503 HIS H . 50817 1
67 . 1 . 1 17 17 HIS C C 13 175.961 . . 1 . . . . . 503 HIS C . 50817 1
68 . 1 . 1 17 17 HIS CA C 13 54.373 . . 1 . . . . . 503 HIS CA . 50817 1
69 . 1 . 1 17 17 HIS CB C 13 30.374 . . 1 . . . . . 503 HIS CB . 50817 1
70 . 1 . 1 17 17 HIS N N 15 119.026 . . 1 . . . . . 503 HIS N . 50817 1
71 . 1 . 1 18 18 GLU H H 1 8.993 . . 1 . . . . . 504 GLU H . 50817 1
72 . 1 . 1 18 18 GLU C C 13 175.692 . . 1 . . . . . 504 GLU C . 50817 1
73 . 1 . 1 18 18 GLU CA C 13 59.384 . . 1 . . . . . 504 GLU CA . 50817 1
74 . 1 . 1 18 18 GLU CB C 13 29.847 . . 1 . . . . . 504 GLU CB . 50817 1
75 . 1 . 1 18 18 GLU N N 15 121.352 . . 1 . . . . . 504 GLU N . 50817 1
76 . 1 . 1 19 19 ASP H H 1 9.294 . . 1 . . . . . 505 ASP H . 50817 1
77 . 1 . 1 19 19 ASP C C 13 177.154 . . 1 . . . . . 505 ASP C . 50817 1
78 . 1 . 1 19 19 ASP CA C 13 53.401 . . 1 . . . . . 505 ASP CA . 50817 1
79 . 1 . 1 19 19 ASP CB C 13 39.276 . . 1 . . . . . 505 ASP CB . 50817 1
80 . 1 . 1 19 19 ASP N N 15 114.69 . . 1 . . . . . 505 ASP N . 50817 1
81 . 1 . 1 20 20 GLU H H 1 7.522 . . 1 . . . . . 506 GLU H . 50817 1
82 . 1 . 1 20 20 GLU C C 13 176.084 . . 1 . . . . . 506 GLU C . 50817 1
83 . 1 . 1 20 20 GLU CA C 13 55.92 . . 1 . . . . . 506 GLU CA . 50817 1
84 . 1 . 1 20 20 GLU CB C 13 32.149 . . 1 . . . . . 506 GLU CB . 50817 1
85 . 1 . 1 20 20 GLU N N 15 120.189 . . 1 . . . . . 506 GLU N . 50817 1
86 . 1 . 1 21 21 LEU H H 1 8.909 . . 1 . . . . . 507 LEU H . 50817 1
87 . 1 . 1 21 21 LEU C C 13 173.16 . . 1 . . . . . 507 LEU C . 50817 1
88 . 1 . 1 21 21 LEU CA C 13 52.751 . . 1 . . . . . 507 LEU CA . 50817 1
89 . 1 . 1 21 21 LEU CB C 13 46.365 . . 1 . . . . . 507 LEU CB . 50817 1
90 . 1 . 1 21 21 LEU N N 15 123.91 . . 1 . . . . . 507 LEU N . 50817 1
91 . 1 . 1 22 22 GLU H H 1 8.345 . . 1 . . . . . 508 GLU H . 50817 1
92 . 1 . 1 22 22 GLU C C 13 176.188 . . 1 . . . . . 508 GLU C . 50817 1
93 . 1 . 1 22 22 GLU CA C 13 56.881 . . 1 . . . . . 508 GLU CA . 50817 1
94 . 1 . 1 22 22 GLU CB C 13 29.475 . . 1 . . . . . 508 GLU CB . 50817 1
95 . 1 . 1 22 22 GLU N N 15 123.391 . . 1 . . . . . 508 GLU N . 50817 1
96 . 1 . 1 23 23 LEU H H 1 9.227 . . 1 . . . . . 509 LEU H . 50817 1
97 . 1 . 1 23 23 LEU C C 13 177.317 . . 1 . . . . . 509 LEU C . 50817 1
98 . 1 . 1 23 23 LEU CA C 13 54.037 . . 1 . . . . . 509 LEU CA . 50817 1
99 . 1 . 1 23 23 LEU CB C 13 45.369 . . 1 . . . . . 509 LEU CB . 50817 1
100 . 1 . 1 23 23 LEU N N 15 123.162 . . 1 . . . . . 509 LEU N . 50817 1
101 . 1 . 1 24 24 GLU H H 1 8.559 . . 1 . . . . . 510 GLU H . 50817 1
102 . 1 . 1 24 24 GLU C C 13 175.245 . . 1 . . . . . 510 GLU C . 50817 1
103 . 1 . 1 24 24 GLU CA C 13 54.44 . . 1 . . . . . 510 GLU CA . 50817 1
104 . 1 . 1 24 24 GLU CB C 13 30.949 . . 1 . . . . . 510 GLU CB . 50817 1
105 . 1 . 1 24 24 GLU N N 15 123.935 . . 1 . . . . . 510 GLU N . 50817 1
106 . 1 . 1 25 25 VAL H H 1 9.078 . . 1 . . . . . 511 VAL H . 50817 1
107 . 1 . 1 25 25 VAL C C 13 177.124 . . 1 . . . . . 511 VAL C . 50817 1
108 . 1 . 1 25 25 VAL CA C 13 66.568 . . 1 . . . . . 511 VAL CA . 50817 1
109 . 1 . 1 25 25 VAL CB C 13 30.863 . . 1 . . . . . 511 VAL CB . 50817 1
110 . 1 . 1 25 25 VAL N N 15 122.374 . . 1 . . . . . 511 VAL N . 50817 1
111 . 1 . 1 26 26 ASP H H 1 8.518 . . 1 . . . . . 512 ASP H . 50817 1
112 . 1 . 1 26 26 ASP C C 13 176.014 . . 1 . . . . . 512 ASP C . 50817 1
113 . 1 . 1 26 26 ASP CA C 13 57.194 . . 1 . . . . . 512 ASP CA . 50817 1
114 . 1 . 1 26 26 ASP CB C 13 39.068 . . 1 . . . . . 512 ASP CB . 50817 1
115 . 1 . 1 26 26 ASP N N 15 119.793 . . 1 . . . . . 512 ASP N . 50817 1
116 . 1 . 1 27 27 ASP H H 1 8.387 . . 1 . . . . . 513 ASP H . 50817 1
117 . 1 . 1 27 27 ASP CA C 13 54.017 . . 1 . . . . . 513 ASP CA . 50817 1
118 . 1 . 1 27 27 ASP CB C 13 39.813 . . 1 . . . . . 513 ASP CB . 50817 1
119 . 1 . 1 27 27 ASP N N 15 122.184 . . 1 . . . . . 513 ASP N . 50817 1
120 . 1 . 1 28 28 PRO C C 13 175.596 . . 1 . . . . . 514 PRO C . 50817 1
121 . 1 . 1 28 28 PRO CA C 13 62.073 . . 1 . . . . . 514 PRO CA . 50817 1
122 . 1 . 1 28 28 PRO CB C 13 31.301 . . 1 . . . . . 514 PRO CB . 50817 1
123 . 1 . 1 29 29 LEU H H 1 8.317 . . 1 . . . . . 515 LEU H . 50817 1
124 . 1 . 1 29 29 LEU C C 13 175.34 . . 1 . . . . . 515 LEU C . 50817 1
125 . 1 . 1 29 29 LEU CA C 13 52.73 . . 1 . . . . . 515 LEU CA . 50817 1
126 . 1 . 1 29 29 LEU CB C 13 47.3 . . 1 . . . . . 515 LEU CB . 50817 1
127 . 1 . 1 29 29 LEU N N 15 121.049 . . 1 . . . . . 515 LEU N . 50817 1
128 . 1 . 1 30 30 LEU H H 1 9.092 . . 1 . . . . . 516 LEU H . 50817 1
129 . 1 . 1 30 30 LEU C C 13 175.892 . . 1 . . . . . 516 LEU C . 50817 1
130 . 1 . 1 30 30 LEU CA C 13 54.972 . . 1 . . . . . 516 LEU CA . 50817 1
131 . 1 . 1 30 30 LEU CB C 13 43.612 . . 1 . . . . . 516 LEU CB . 50817 1
132 . 1 . 1 30 30 LEU N N 15 126.087 . . 1 . . . . . 516 LEU N . 50817 1
133 . 1 . 1 31 31 VAL H H 1 9.043 . . 1 . . . . . 517 VAL H . 50817 1
134 . 1 . 1 31 31 VAL C C 13 175.642 . . 1 . . . . . 517 VAL C . 50817 1
135 . 1 . 1 31 31 VAL CA C 13 63.353 . . 1 . . . . . 517 VAL CA . 50817 1
136 . 1 . 1 31 31 VAL CB C 13 31.576 . . 1 . . . . . 517 VAL CB . 50817 1
137 . 1 . 1 31 31 VAL N N 15 126.804 . . 1 . . . . . 517 VAL N . 50817 1
138 . 1 . 1 32 32 GLU H H 1 8.961 . . 1 . . . . . 518 GLU H . 50817 1
139 . 1 . 1 32 32 GLU C C 13 176.325 . . 1 . . . . . 518 GLU C . 50817 1
140 . 1 . 1 32 32 GLU CA C 13 57.429 . . 1 . . . . . 518 GLU CA . 50817 1
141 . 1 . 1 32 32 GLU CB C 13 31.654 . . 1 . . . . . 518 GLU CB . 50817 1
142 . 1 . 1 32 32 GLU N N 15 129.004 . . 1 . . . . . 518 GLU N . 50817 1
143 . 1 . 1 33 33 LEU H H 1 7.6 . . 1 . . . . . 519 LEU H . 50817 1
144 . 1 . 1 33 33 LEU C C 13 174.781 . . 1 . . . . . 519 LEU C . 50817 1
145 . 1 . 1 33 33 LEU CA C 13 55.401 . . 1 . . . . . 519 LEU CA . 50817 1
146 . 1 . 1 33 33 LEU CB C 13 45.512 . . 1 . . . . . 519 LEU CB . 50817 1
147 . 1 . 1 33 33 LEU N N 15 117.746 . . 1 . . . . . 519 LEU N . 50817 1
148 . 1 . 1 34 34 GLN H H 1 8.678 . . 1 . . . . . 520 GLN H . 50817 1
149 . 1 . 1 34 34 GLN C C 13 174.627 . . 1 . . . . . 520 GLN C . 50817 1
150 . 1 . 1 34 34 GLN CA C 13 55.309 . . 1 . . . . . 520 GLN CA . 50817 1
151 . 1 . 1 34 34 GLN CB C 13 28.538 . . 1 . . . . . 520 GLN CB . 50817 1
152 . 1 . 1 34 34 GLN N N 15 125.048 . . 1 . . . . . 520 GLN N . 50817 1
153 . 1 . 1 35 35 ALA H H 1 8.285 . . 1 . . . . . 521 ALA H . 50817 1
154 . 1 . 1 35 35 ALA C C 13 178.909 . . 1 . . . . . 521 ALA C . 50817 1
155 . 1 . 1 35 35 ALA CA C 13 51.965 . . 1 . . . . . 521 ALA CA . 50817 1
156 . 1 . 1 35 35 ALA CB C 13 20.786 . . 1 . . . . . 521 ALA CB . 50817 1
157 . 1 . 1 35 35 ALA N N 15 127.157 . . 1 . . . . . 521 ALA N . 50817 1
158 . 1 . 1 36 36 GLU H H 1 8.984 . . 1 . . . . . 522 GLU H . 50817 1
159 . 1 . 1 36 36 GLU C C 13 175.424 . . 1 . . . . . 522 GLU C . 50817 1
160 . 1 . 1 36 36 GLU CA C 13 58.131 . . 1 . . . . . 522 GLU CA . 50817 1
161 . 1 . 1 36 36 GLU CB C 13 29.328 . . 1 . . . . . 522 GLU CB . 50817 1
162 . 1 . 1 36 36 GLU N N 15 119.102 . . 1 . . . . . 522 GLU N . 50817 1
163 . 1 . 1 37 37 ASP H H 1 7.894 . . 1 . . . . . 523 ASP H . 50817 1
164 . 1 . 1 37 37 ASP C C 13 175.437 . . 1 . . . . . 523 ASP C . 50817 1
165 . 1 . 1 37 37 ASP CA C 13 52.579 . . 1 . . . . . 523 ASP CA . 50817 1
166 . 1 . 1 37 37 ASP CB C 13 39.11 . . 1 . . . . . 523 ASP CB . 50817 1
167 . 1 . 1 37 37 ASP N N 15 114.997 . . 1 . . . . . 523 ASP N . 50817 1
168 . 1 . 1 38 38 TYR H H 1 7.649 . . 1 . . . . . 524 TYR H . 50817 1
169 . 1 . 1 38 38 TYR C C 13 174.881 . . 1 . . . . . 524 TYR C . 50817 1
170 . 1 . 1 38 38 TYR CA C 13 60.88 . . 1 . . . . . 524 TYR CA . 50817 1
171 . 1 . 1 38 38 TYR CB C 13 33.993 . . 1 . . . . . 524 TYR CB . 50817 1
172 . 1 . 1 38 38 TYR N N 15 108.398 . . 1 . . . . . 524 TYR N . 50817 1
173 . 1 . 1 39 39 TRP H H 1 7.334 . . 1 . . . . . 525 TRP H . 50817 1
174 . 1 . 1 39 39 TRP C C 13 174.004 . . 1 . . . . . 525 TRP C . 50817 1
175 . 1 . 1 39 39 TRP CA C 13 57.211 . . 1 . . . . . 525 TRP CA . 50817 1
176 . 1 . 1 39 39 TRP CB C 13 29.51 . . 1 . . . . . 525 TRP CB . 50817 1
177 . 1 . 1 39 39 TRP N N 15 117.494 . . 1 . . . . . 525 TRP N . 50817 1
178 . 1 . 1 40 40 ALA H H 1 8.772 . . 1 . . . . . 526 ALA H . 50817 1
179 . 1 . 1 40 40 ALA C C 13 175.179 . . 1 . . . . . 526 ALA C . 50817 1
180 . 1 . 1 40 40 ALA CA C 13 49.8 . . 1 . . . . . 526 ALA CA . 50817 1
181 . 1 . 1 40 40 ALA CB C 13 21.417 . . 1 . . . . . 526 ALA CB . 50817 1
182 . 1 . 1 40 40 ALA N N 15 123.297 . . 1 . . . . . 526 ALA N . 50817 1
183 . 1 . 1 41 41 GLU H H 1 8.581 . . 1 . . . . . 527 GLU H . 50817 1
184 . 1 . 1 41 41 GLU C C 13 176.54 . . 1 . . . . . 527 GLU C . 50817 1
185 . 1 . 1 41 41 GLU CA C 13 55.043 . . 1 . . . . . 527 GLU CA . 50817 1
186 . 1 . 1 41 41 GLU CB C 13 31.368 . . 1 . . . . . 527 GLU CB . 50817 1
187 . 1 . 1 41 41 GLU N N 15 118.326 . . 1 . . . . . 527 GLU N . 50817 1
188 . 1 . 1 42 42 ALA H H 1 9.271 . . 1 . . . . . 528 ALA H . 50817 1
189 . 1 . 1 42 42 ALA C C 13 173.544 . . 1 . . . . . 528 ALA C . 50817 1
190 . 1 . 1 42 42 ALA CA C 13 50.908 . . 1 . . . . . 528 ALA CA . 50817 1
191 . 1 . 1 42 42 ALA CB C 13 27.31 . . 1 . . . . . 528 ALA CB . 50817 1
192 . 1 . 1 42 42 ALA N N 15 125.09 . . 1 . . . . . 528 ALA N . 50817 1
193 . 1 . 1 43 43 TYR H H 1 8.633 . . 1 . . . . . 529 TYR H . 50817 1
194 . 1 . 1 43 43 TYR C C 13 175.328 . . 1 . . . . . 529 TYR C . 50817 1
195 . 1 . 1 43 43 TYR CA C 13 56.175 . . 1 . . . . . 529 TYR CA . 50817 1
196 . 1 . 1 43 43 TYR CB C 13 41.49 . . 1 . . . . . 529 TYR CB . 50817 1
197 . 1 . 1 43 43 TYR N N 15 117.575 . . 1 . . . . . 529 TYR N . 50817 1
198 . 1 . 1 44 44 ASN H H 1 8.972 . . 1 . . . . . 530 ASN H . 50817 1
199 . 1 . 1 44 44 ASN C C 13 175.146 . . 1 . . . . . 530 ASN C . 50817 1
200 . 1 . 1 44 44 ASN CA C 13 52.679 . . 1 . . . . . 530 ASN CA . 50817 1
201 . 1 . 1 44 44 ASN CB C 13 40.04 . . 1 . . . . . 530 ASN CB . 50817 1
202 . 1 . 1 44 44 ASN N N 15 124.653 . . 1 . . . . . 530 ASN N . 50817 1
203 . 1 . 1 45 45 MET H H 1 8.82 . . 1 . . . . . 531 MET H . 50817 1
204 . 1 . 1 45 45 MET C C 13 177.38 . . 1 . . . . . 531 MET C . 50817 1
205 . 1 . 1 45 45 MET CA C 13 57.837 . . 1 . . . . . 531 MET CA . 50817 1
206 . 1 . 1 45 45 MET CB C 13 33.227 . . 1 . . . . . 531 MET CB . 50817 1
207 . 1 . 1 45 45 MET N N 15 122.621 . . 1 . . . . . 531 MET N . 50817 1
208 . 1 . 1 46 46 ARG H H 1 8.698 . . 1 . . . . . 532 ARG H . 50817 1
209 . 1 . 1 46 46 ARG C C 13 177.641 . . 1 . . . . . 532 ARG C . 50817 1
210 . 1 . 1 46 46 ARG CA C 13 58.891 . . 1 . . . . . 532 ARG CA . 50817 1
211 . 1 . 1 46 46 ARG CB C 13 30.3 . . 1 . . . . . 532 ARG CB . 50817 1
212 . 1 . 1 46 46 ARG N N 15 118.958 . . 1 . . . . . 532 ARG N . 50817 1
213 . 1 . 1 47 47 THR H H 1 7.107 . . 1 . . . . . 533 THR H . 50817 1
214 . 1 . 1 47 47 THR C C 13 176.86 . . 1 . . . . . 533 THR C . 50817 1
215 . 1 . 1 47 47 THR CA C 13 62.038 . . 1 . . . . . 533 THR CA . 50817 1
216 . 1 . 1 47 47 THR CB C 13 70.069 . . 1 . . . . . 533 THR CB . 50817 1
217 . 1 . 1 47 47 THR N N 15 105.989 . . 1 . . . . . 533 THR N . 50817 1
218 . 1 . 1 48 48 GLY H H 1 8.683 . . 1 . . . . . 534 GLY H . 50817 1
219 . 1 . 1 48 48 GLY C C 13 172.976 . . 1 . . . . . 534 GLY C . 50817 1
220 . 1 . 1 48 48 GLY CA C 13 45.404 . . 1 . . . . . 534 GLY CA . 50817 1
221 . 1 . 1 48 48 GLY N N 15 111.609 . . 1 . . . . . 534 GLY N . 50817 1
222 . 1 . 1 49 49 ALA H H 1 7.43 . . 1 . . . . . 535 ALA H . 50817 1
223 . 1 . 1 49 49 ALA C C 13 174.388 . . 1 . . . . . 535 ALA C . 50817 1
224 . 1 . 1 49 49 ALA CA C 13 51.348 . . 1 . . . . . 535 ALA CA . 50817 1
225 . 1 . 1 49 49 ALA CB C 13 20.912 . . 1 . . . . . 535 ALA CB . 50817 1
226 . 1 . 1 49 49 ALA N N 15 121.972 . . 1 . . . . . 535 ALA N . 50817 1
227 . 1 . 1 50 50 ARG H H 1 8.357 . . 1 . . . . . 536 ARG H . 50817 1
228 . 1 . 1 50 50 ARG C C 13 176.612 . . 1 . . . . . 536 ARG C . 50817 1
229 . 1 . 1 50 50 ARG CA C 13 54.167 . . 1 . . . . . 536 ARG CA . 50817 1
230 . 1 . 1 50 50 ARG CB C 13 34.429 . . 1 . . . . . 536 ARG CB . 50817 1
231 . 1 . 1 50 50 ARG N N 15 116.921 . . 1 . . . . . 536 ARG N . 50817 1
232 . 1 . 1 51 51 GLY H H 1 8.681 . . 1 . . . . . 537 GLY H . 50817 1
233 . 1 . 1 51 51 GLY C C 13 171.572 . . 1 . . . . . 537 GLY C . 50817 1
234 . 1 . 1 51 51 GLY CA C 13 45.806 . . 1 . . . . . 537 GLY CA . 50817 1
235 . 1 . 1 51 51 GLY N N 15 109.784 . . 1 . . . . . 537 GLY N . 50817 1
236 . 1 . 1 52 52 VAL H H 1 8.71 . . 1 . . . . . 538 VAL H . 50817 1
237 . 1 . 1 52 52 VAL C C 13 176.624 . . 1 . . . . . 538 VAL C . 50817 1
238 . 1 . 1 52 52 VAL CA C 13 58.946 . . 1 . . . . . 538 VAL CA . 50817 1
239 . 1 . 1 52 52 VAL CB C 13 35.001 . . 1 . . . . . 538 VAL CB . 50817 1
240 . 1 . 1 52 52 VAL N N 15 112.368 . . 1 . . . . . 538 VAL N . 50817 1
241 . 1 . 1 53 53 PHE H H 1 9.098 . . 1 . . . . . 539 PHE H . 50817 1
242 . 1 . 1 53 53 PHE CA C 13 55.867 . . 1 . . . . . 539 PHE CA . 50817 1
243 . 1 . 1 53 53 PHE CB C 13 38.891 . . 1 . . . . . 539 PHE CB . 50817 1
244 . 1 . 1 53 53 PHE N N 15 117.161 . . 1 . . . . . 539 PHE N . 50817 1
245 . 1 . 1 54 54 PRO C C 13 178.54 . . 1 . . . . . 540 PRO C . 50817 1
246 . 1 . 1 54 54 PRO CA C 13 62.95 . . 1 . . . . . 540 PRO CA . 50817 1
247 . 1 . 1 54 54 PRO CB C 13 31.598 . . 1 . . . . . 540 PRO CB . 50817 1
248 . 1 . 1 55 55 ALA H H 1 8.053 . . 1 . . . . . 541 ALA H . 50817 1
249 . 1 . 1 55 55 ALA C C 13 178.321 . . 1 . . . . . 541 ALA C . 50817 1
250 . 1 . 1 55 55 ALA CA C 13 56.235 . . 1 . . . . . 541 ALA CA . 50817 1
251 . 1 . 1 55 55 ALA CB C 13 19.287 . . 1 . . . . . 541 ALA CB . 50817 1
252 . 1 . 1 55 55 ALA N N 15 122.733 . . 1 . . . . . 541 ALA N . 50817 1
253 . 1 . 1 56 56 TYR H H 1 7.385 . . 1 . . . . . 542 TYR H . 50817 1
254 . 1 . 1 56 56 TYR C C 13 174.703 . . 1 . . . . . 542 TYR C . 50817 1
255 . 1 . 1 56 56 TYR CA C 13 59.578 . . 1 . . . . . 542 TYR CA . 50817 1
256 . 1 . 1 56 56 TYR CB C 13 35.88 . . 1 . . . . . 542 TYR CB . 50817 1
257 . 1 . 1 56 56 TYR N N 15 112.013 . . 1 . . . . . 542 TYR N . 50817 1
258 . 1 . 1 57 57 TYR H H 1 8.285 . . 1 . . . . . 543 TYR H . 50817 1
259 . 1 . 1 57 57 TYR C C 13 174.192 . . 1 . . . . . 543 TYR C . 50817 1
260 . 1 . 1 57 57 TYR CA C 13 58.332 . . 1 . . . . . 543 TYR CA . 50817 1
261 . 1 . 1 57 57 TYR CB C 13 37.157 . . 1 . . . . . 543 TYR CB . 50817 1
262 . 1 . 1 57 57 TYR N N 15 115.622 . . 1 . . . . . 543 TYR N . 50817 1
263 . 1 . 1 58 58 ALA H H 1 7.721 . . 1 . . . . . 544 ALA H . 50817 1
264 . 1 . 1 58 58 ALA C C 13 175.079 . . 1 . . . . . 544 ALA C . 50817 1
265 . 1 . 1 58 58 ALA CA C 13 50.799 . . 1 . . . . . 544 ALA CA . 50817 1
266 . 1 . 1 58 58 ALA CB C 13 23.944 . . 1 . . . . . 544 ALA CB . 50817 1
267 . 1 . 1 58 58 ALA N N 15 119.656 . . 1 . . . . . 544 ALA N . 50817 1
268 . 1 . 1 59 59 ILE H H 1 8.491 . . 1 . . . . . 545 ILE H . 50817 1
269 . 1 . 1 59 59 ILE C C 13 174.545 . . 1 . . . . . 545 ILE C . 50817 1
270 . 1 . 1 59 59 ILE CA C 13 58.72 . . 1 . . . . . 545 ILE CA . 50817 1
271 . 1 . 1 59 59 ILE CB C 13 42.379 . . 1 . . . . . 545 ILE CB . 50817 1
272 . 1 . 1 59 59 ILE N N 15 115.341 . . 1 . . . . . 545 ILE N . 50817 1
273 . 1 . 1 60 60 GLU H H 1 8.783 . . 1 . . . . . 546 GLU H . 50817 1
274 . 1 . 1 60 60 GLU C C 13 177.035 . . 1 . . . . . 546 GLU C . 50817 1
275 . 1 . 1 60 60 GLU CA C 13 57.452 . . 1 . . . . . 546 GLU CA . 50817 1
276 . 1 . 1 60 60 GLU CB C 13 30.297 . . 1 . . . . . 546 GLU CB . 50817 1
277 . 1 . 1 60 60 GLU N N 15 124.643 . . 1 . . . . . 546 GLU N . 50817 1
278 . 1 . 1 61 61 VAL H H 1 7.732 . . 1 . . . . . 547 VAL H . 50817 1
279 . 1 . 1 61 61 VAL C C 13 175.415 . . 1 . . . . . 547 VAL C . 50817 1
280 . 1 . 1 61 61 VAL CA C 13 61.532 . . 1 . . . . . 547 VAL CA . 50817 1
281 . 1 . 1 61 61 VAL CB C 13 32.586 . . 1 . . . . . 547 VAL CB . 50817 1
282 . 1 . 1 61 61 VAL N N 15 118.261 . . 1 . . . . . 547 VAL N . 50817 1
283 . 1 . 1 62 62 THR H H 1 8.017 . . 1 . . . . . 548 THR H . 50817 1
284 . 1 . 1 62 62 THR C C 13 173.652 . . 1 . . . . . 548 THR C . 50817 1
285 . 1 . 1 62 62 THR CA C 13 61.705 . . 1 . . . . . 548 THR CA . 50817 1
286 . 1 . 1 62 62 THR CB C 13 70.011 . . 1 . . . . . 548 THR CB . 50817 1
287 . 1 . 1 62 62 THR N N 15 116.76 . . 1 . . . . . 548 THR N . 50817 1
288 . 1 . 1 63 63 LYS H H 1 8.064 . . 1 . . . . . 549 LYS H . 50817 1
289 . 1 . 1 63 63 LYS CA C 13 57.716 . . 1 . . . . . 549 LYS CA . 50817 1
290 . 1 . 1 63 63 LYS CB C 13 33.692 . . 1 . . . . . 549 LYS CB . 50817 1
291 . 1 . 1 63 63 LYS N N 15 128.858 . . 1 . . . . . 549 LYS N . 50817 1
stop_
save_