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 51490
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'UNC89_SH3 assignment'
_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 '2D 1H-15N HSQC' . . . 51490 1
2 '3D HNCO' . . . 51490 1
3 '3D HN(CA)CO' . . . 51490 1
4 '3D HNCA' . . . 51490 1
5 '3D HN(CO)CACB' . . . 51490 1
6 '3D HNCACB' . . . 51490 1
7 '3D HN(CO)CA' . . . 51490 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
4 $software_4 . . 51490 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 2 2 PRO C C 13 177.1721436 0.004654117487 . 1 . . . . . 60 PRO C . 51490 1
2 . 1 . 1 2 2 PRO CA C 13 63.64242623 0.03988521904 . 1 . . . . . 60 PRO CA . 51490 1
3 . 1 . 1 2 2 PRO CB C 13 32.10340787 0.006439492436 . 1 . . . . . 60 PRO CB . 51490 1
4 . 1 . 1 3 3 GLU H H 1 8.562705675 0.001983730031 . 1 . . . . . 61 GLU H . 51490 1
5 . 1 . 1 3 3 GLU C C 13 176.721809 0.005871702987 . 1 . . . . . 61 GLU C . 51490 1
6 . 1 . 1 3 3 GLU CA C 13 57.01091445 0.06451305305 . 1 . . . . . 61 GLU CA . 51490 1
7 . 1 . 1 3 3 GLU CB C 13 29.61908634 0.002270028378 . 1 . . . . . 61 GLU CB . 51490 1
8 . 1 . 1 3 3 GLU N N 15 121.7985652 0.01261503566 . 1 . . . . . 61 GLU N . 51490 1
9 . 1 . 1 4 4 SER H H 1 8.030598387 0.002229368946 . 1 . . . . . 62 SER H . 51490 1
10 . 1 . 1 4 4 SER C C 13 174.2618527 0.04658445412 . 1 . . . . . 62 SER C . 51490 1
11 . 1 . 1 4 4 SER CA C 13 58.59667314 0.03722093706 . 1 . . . . . 62 SER CA . 51490 1
12 . 1 . 1 4 4 SER CB C 13 63.57475158 0.04352359333 . 1 . . . . . 62 SER CB . 51490 1
13 . 1 . 1 4 4 SER N N 15 118.3759707 0.006143540042 . 1 . . . . . 62 SER N . 51490 1
14 . 1 . 1 5 5 ARG H H 1 7.977819044 0.001843672475 . 1 . . . . . 63 ARG H . 51490 1
15 . 1 . 1 5 5 ARG C C 13 175.6722182 0.01995093143 . 1 . . . . . 63 ARG C . 51490 1
16 . 1 . 1 5 5 ARG CA C 13 55.99789317 0.0609961849 . 1 . . . . . 63 ARG CA . 51490 1
17 . 1 . 1 5 5 ARG CB C 13 30.98168454 0.003237356701 . 1 . . . . . 63 ARG CB . 51490 1
18 . 1 . 1 5 5 ARG N N 15 124.0591918 0.01405782536 . 1 . . . . . 63 ARG N . 51490 1
19 . 1 . 1 6 6 SER H H 1 7.930207609 0.001139770176 . 1 . . . . . 64 SER H . 51490 1
20 . 1 . 1 6 6 SER C C 13 173.6069821 0.02275760612 . 1 . . . . . 64 SER C . 51490 1
21 . 1 . 1 6 6 SER CA C 13 57.78257241 0.04737819435 . 1 . . . . . 64 SER CA . 51490 1
22 . 1 . 1 6 6 SER CB C 13 63.99421883 0.009775859622 . 1 . . . . . 64 SER CB . 51490 1
23 . 1 . 1 6 6 SER N N 15 118.1276395 0.01403843708 . 1 . . . . . 64 SER N . 51490 1
24 . 1 . 1 7 7 TYR H H 1 7.903036575 0.0007589929693 . 1 . . . . . 65 TYR H . 51490 1
25 . 1 . 1 7 7 TYR CA C 13 56.31294074 0.00519826595 . 1 . . . . . 65 TYR CA . 51490 1
26 . 1 . 1 7 7 TYR CB C 13 38.73018123 0 . 1 . . . . . 65 TYR CB . 51490 1
27 . 1 . 1 7 7 TYR N N 15 123.6882756 0.01353871039 . 1 . . . . . 65 TYR N . 51490 1
28 . 1 . 1 8 8 PRO C C 13 175.5853393 0.001521980551 . 1 . . . . . 66 PRO C . 51490 1
29 . 1 . 1 8 8 PRO CA C 13 63.18284818 0.09351098608 . 1 . . . . . 66 PRO CA . 51490 1
30 . 1 . 1 8 8 PRO CB C 13 32.81325651 0 . 1 . . . . . 66 PRO CB . 51490 1
31 . 1 . 1 9 9 VAL H H 1 7.736671123 0.001315319515 . 1 . . . . . 67 VAL H . 51490 1
32 . 1 . 1 9 9 VAL C C 13 176.0827614 0.01945968299 . 1 . . . . . 67 VAL C . 51490 1
33 . 1 . 1 9 9 VAL CA C 13 61.0132343 0.07164313645 . 1 . . . . . 67 VAL CA . 51490 1
34 . 1 . 1 9 9 VAL CB C 13 33.45570498 0.1094084713 . 1 . . . . . 67 VAL CB . 51490 1
35 . 1 . 1 9 9 VAL N N 15 119.7306818 0.01222415907 . 1 . . . . . 67 VAL N . 51490 1
36 . 1 . 1 10 10 TYR H H 1 8.598407436 0.002058290588 . 1 . . . . . 68 TYR H . 51490 1
37 . 1 . 1 10 10 TYR C C 13 173.500275 0.02181638748 . 1 . . . . . 68 TYR C . 51490 1
38 . 1 . 1 10 10 TYR CA C 13 56.96339741 0.03035134045 . 1 . . . . . 68 TYR CA . 51490 1
39 . 1 . 1 10 10 TYR CB C 13 43.99521569 0.0005413244354 . 1 . . . . . 68 TYR CB . 51490 1
40 . 1 . 1 10 10 TYR N N 15 125.1549936 0.02773548101 . 1 . . . . . 68 TYR N . 51490 1
41 . 1 . 1 11 11 ILE H H 1 8.539423004 0.001798492022 . 1 . . . . . 69 ILE H . 51490 1
42 . 1 . 1 11 11 ILE C C 13 176.368125 0.004897705849 . 1 . . . . . 69 ILE C . 51490 1
43 . 1 . 1 11 11 ILE CA C 13 59.41285163 0.08356223373 . 1 . . . . . 69 ILE CA . 51490 1
44 . 1 . 1 11 11 ILE CB C 13 41.44881478 0.007469109102 . 1 . . . . . 69 ILE CB . 51490 1
45 . 1 . 1 11 11 ILE N N 15 118.3761103 0.01160060258 . 1 . . . . . 69 ILE N . 51490 1
46 . 1 . 1 12 12 ALA H H 1 8.641099499 0.001246003055 . 1 . . . . . 70 ALA H . 51490 1
47 . 1 . 1 12 12 ALA C C 13 180.3690453 0.00997479475 . 1 . . . . . 70 ALA C . 51490 1
48 . 1 . 1 12 12 ALA CA C 13 52.19783725 0.01158680715 . 1 . . . . . 70 ALA CA . 51490 1
49 . 1 . 1 12 12 ALA CB C 13 18.86315856 0.04932546248 . 1 . . . . . 70 ALA CB . 51490 1
50 . 1 . 1 12 12 ALA N N 15 129.4408653 0.04696350002 . 1 . . . . . 70 ALA N . 51490 1
51 . 1 . 1 13 13 ILE H H 1 8.83946526 0.00341513193 . 1 . . . . . 71 ILE H . 51490 1
52 . 1 . 1 13 13 ILE C C 13 175.3761857 0.003971461702 . 1 . . . . . 71 ILE C . 51490 1
53 . 1 . 1 13 13 ILE CA C 13 62.72675116 0.01574313499 . 1 . . . . . 71 ILE CA . 51490 1
54 . 1 . 1 13 13 ILE CB C 13 38.91803331 0.02361886032 . 1 . . . . . 71 ILE CB . 51490 1
55 . 1 . 1 13 13 ILE N N 15 122.9953813 0.01929467542 . 1 . . . . . 71 ILE N . 51490 1
56 . 1 . 1 14 14 GLN H H 1 7.120782508 0.0009805090122 . 1 . . . . . 72 GLN H . 51490 1
57 . 1 . 1 14 14 GLN C C 13 172.4972606 0.003864247848 . 1 . . . . . 72 GLN C . 51490 1
58 . 1 . 1 14 14 GLN CA C 13 53.80565853 0.04374612433 . 1 . . . . . 72 GLN CA . 51490 1
59 . 1 . 1 14 14 GLN CB C 13 32.52409807 0.01149172326 . 1 . . . . . 72 GLN CB . 51490 1
60 . 1 . 1 14 14 GLN N N 15 115.7737053 0.005332881459 . 1 . . . . . 72 GLN N . 51490 1
61 . 1 . 1 15 15 ASP H H 1 8.252571265 0.001648718919 . 1 . . . . . 73 ASP H . 51490 1
62 . 1 . 1 15 15 ASP C C 13 175.5528093 0.01822007268 . 1 . . . . . 73 ASP C . 51490 1
63 . 1 . 1 15 15 ASP CA C 13 55.07503027 0.05441988275 . 1 . . . . . 73 ASP CA . 51490 1
64 . 1 . 1 15 15 ASP CB C 13 41.44328315 0.004436507116 . 1 . . . . . 73 ASP CB . 51490 1
65 . 1 . 1 15 15 ASP N N 15 118.9063101 0.02579023402 . 1 . . . . . 73 ASP N . 51490 1
66 . 1 . 1 16 16 TYR H H 1 8.50644095 0.001740093765 . 1 . . . . . 74 TYR H . 51490 1
67 . 1 . 1 16 16 TYR C C 13 174.5754077 0.01096588972 . 1 . . . . . 74 TYR C . 51490 1
68 . 1 . 1 16 16 TYR CA C 13 56.4547813 0.04389491807 . 1 . . . . . 74 TYR CA . 51490 1
69 . 1 . 1 16 16 TYR CB C 13 41.43490628 0.03059913843 . 1 . . . . . 74 TYR CB . 51490 1
70 . 1 . 1 16 16 TYR N N 15 122.2545871 0.05296347013 . 1 . . . . . 74 TYR N . 51490 1
71 . 1 . 1 17 17 THR H H 1 8.003021569 0.003262996022 . 1 . . . . . 75 THR H . 51490 1
72 . 1 . 1 17 17 THR C C 13 171.5529865 0 . 1 . . . . . 75 THR C . 51490 1
73 . 1 . 1 17 17 THR CA C 13 58.30582887 0.02197536071 . 1 . . . . . 75 THR CA . 51490 1
74 . 1 . 1 17 17 THR CB C 13 69.91147451 0 . 1 . . . . . 75 THR CB . 51490 1
75 . 1 . 1 17 17 THR N N 15 125.7551142 0.04018690206 . 1 . . . . . 75 THR N . 51490 1
76 . 1 . 1 18 18 PRO C C 13 176.4615958 0.02074062682 . 1 . . . . . 76 PRO C . 51490 1
77 . 1 . 1 18 18 PRO CA C 13 61.67897285 0.0487448416 . 1 . . . . . 76 PRO CA . 51490 1
78 . 1 . 1 18 18 PRO CB C 13 32.49739403 0.04927472128 . 1 . . . . . 76 PRO CB . 51490 1
79 . 1 . 1 19 19 ASP H H 1 8.555162587 0.001632889908 . 1 . . . . . 77 ASP H . 51490 1
80 . 1 . 1 19 19 ASP C C 13 178.2572412 0.0012054383 . 1 . . . . . 77 ASP C . 51490 1
81 . 1 . 1 19 19 ASP CA C 13 54.8215347 0.04842279623 . 1 . . . . . 77 ASP CA . 51490 1
82 . 1 . 1 19 19 ASP CB C 13 42.00401267 0.0142788648 . 1 . . . . . 77 ASP CB . 51490 1
83 . 1 . 1 19 19 ASP N N 15 123.0366936 0.02235964786 . 1 . . . . . 77 ASP N . 51490 1
84 . 1 . 1 20 20 LYS H H 1 8.455618002 0.001169573208 . 1 . . . . . 78 LYS H . 51490 1
85 . 1 . 1 20 20 LYS C C 13 177.9275583 0.006226901191 . 1 . . . . . 78 LYS C . 51490 1
86 . 1 . 1 20 20 LYS CA C 13 59.11419098 0.06040815064 . 1 . . . . . 78 LYS CA . 51490 1
87 . 1 . 1 20 20 LYS CB C 13 32.09839717 0.04381740018 . 1 . . . . . 78 LYS CB . 51490 1
88 . 1 . 1 20 20 LYS N N 15 125.2056295 0.02774716966 . 1 . . . . . 78 LYS N . 51490 1
89 . 1 . 1 21 21 GLU H H 1 8.384396901 0.001633507156 . 1 . . . . . 79 GLU H . 51490 1
90 . 1 . 1 21 21 GLU C C 13 176.7885764 0.001996472937 . 1 . . . . . 79 GLU C . 51490 1
91 . 1 . 1 21 21 GLU CA C 13 57.28678149 0.01537013237 . 1 . . . . . 79 GLU CA . 51490 1
92 . 1 . 1 21 21 GLU CB C 13 28.95580126 0.008622835299 . 1 . . . . . 79 GLU CB . 51490 1
93 . 1 . 1 21 21 GLU N N 15 116.6968734 0.04286364181 . 1 . . . . . 79 GLU N . 51490 1
94 . 1 . 1 22 22 ASP H H 1 7.326451113 0.002201649711 . 1 . . . . . 80 ASP H . 51490 1
95 . 1 . 1 22 22 ASP C C 13 177.2262784 0 . 1 . . . . . 80 ASP C . 51490 1
96 . 1 . 1 22 22 ASP CA C 13 53.09142338 0.03087131433 . 1 . . . . . 80 ASP CA . 51490 1
97 . 1 . 1 22 22 ASP CB C 13 39.60227714 0 . 1 . . . . . 80 ASP CB . 51490 1
98 . 1 . 1 22 22 ASP N N 15 122.240244 0.02971715731 . 1 . . . . . 80 ASP N . 51490 1
99 . 1 . 1 23 23 VAL H H 1 7.488743261 0 . 1 . . . . . 81 VAL H . 51490 1
100 . 1 . 1 23 23 VAL C C 13 177.4686695 0 . 1 . . . . . 81 VAL C . 51490 1
101 . 1 . 1 23 23 VAL CA C 13 64.09977595 0.09103758423 . 1 . . . . . 81 VAL CA . 51490 1
102 . 1 . 1 23 23 VAL CB C 13 31.89685137 0.1228182434 . 1 . . . . . 81 VAL CB . 51490 1
103 . 1 . 1 23 23 VAL N N 15 119.5547568 0 . 1 . . . . . 81 VAL N . 51490 1
104 . 1 . 1 24 24 GLU H H 1 8.377110679 0.002896215995 . 1 . . . . . 82 GLU H . 51490 1
105 . 1 . 1 24 24 GLU C C 13 176.3599056 0.0002487829042 . 1 . . . . . 82 GLU C . 51490 1
106 . 1 . 1 24 24 GLU CA C 13 56.7331298 0.0479429344 . 1 . . . . . 82 GLU CA . 51490 1
107 . 1 . 1 24 24 GLU CB C 13 30.02513781 0.02095499261 . 1 . . . . . 82 GLU CB . 51490 1
108 . 1 . 1 24 24 GLU N N 15 120.0166444 0.0544755206 . 1 . . . . . 82 GLU N . 51490 1
109 . 1 . 1 25 25 ALA H H 1 7.141580186 0.001304357595 . 1 . . . . . 83 ALA H . 51490 1
110 . 1 . 1 25 25 ALA C C 13 177.7498119 0.03547396957 . 1 . . . . . 83 ALA C . 51490 1
111 . 1 . 1 25 25 ALA CA C 13 51.82347229 0.006711582518 . 1 . . . . . 83 ALA CA . 51490 1
112 . 1 . 1 25 25 ALA CB C 13 22.91365656 0.003831836961 . 1 . . . . . 83 ALA CB . 51490 1
113 . 1 . 1 25 25 ALA N N 15 123.5552332 0.02743966871 . 1 . . . . . 83 ALA N . 51490 1
114 . 1 . 1 26 26 ILE H H 1 6.491739323 0.002545428115 . 1 . . . . . 84 ILE H . 51490 1
115 . 1 . 1 26 26 ILE C C 13 171.1174521 0 . 1 . . . . . 84 ILE C . 51490 1
116 . 1 . 1 26 26 ILE CA C 13 57.67716387 0 . 1 . . . . . 84 ILE CA . 51490 1
117 . 1 . 1 26 26 ILE CB C 13 51.78526161 8.007762284 . 1 . . . . . 84 ILE CB . 51490 1
118 . 1 . 1 26 26 ILE N N 15 112.7453648 0.0642663296 . 1 . . . . . 84 ILE N . 51490 1
119 . 1 . 1 27 27 PRO C C 13 176.3789461 0.02523449792 . 1 . . . . . 85 PRO C . 51490 1
120 . 1 . 1 27 27 PRO CA C 13 61.76418023 0.03946107509 . 1 . . . . . 85 PRO CA . 51490 1
121 . 1 . 1 27 27 PRO CB C 13 32.61986027 0.0004733839163 . 1 . . . . . 85 PRO CB . 51490 1
122 . 1 . 1 28 28 LEU H H 1 8.292561931 0.001317222096 . 1 . . . . . 86 LEU H . 51490 1
123 . 1 . 1 28 28 LEU C C 13 177.1760684 0.0004002479191 . 1 . . . . . 86 LEU C . 51490 1
124 . 1 . 1 28 28 LEU CA C 13 53.6576823 0.05704111439 . 1 . . . . . 86 LEU CA . 51490 1
125 . 1 . 1 28 28 LEU CB C 13 47.78200918 0.05978487714 . 1 . . . . . 86 LEU CB . 51490 1
126 . 1 . 1 28 28 LEU N N 15 115.945788 0.01361674437 . 1 . . . . . 86 LEU N . 51490 1
127 . 1 . 1 29 29 GLU H H 1 8.259447707 0.001433000803 . 1 . . . . . 87 GLU H . 51490 1
128 . 1 . 1 29 29 GLU C C 13 175.4025504 0.01404224132 . 1 . . . . . 87 GLU C . 51490 1
129 . 1 . 1 29 29 GLU CA C 13 54.08865428 0.05404747254 . 1 . . . . . 87 GLU CA . 51490 1
130 . 1 . 1 29 29 GLU CB C 13 32.41890084 0.001296775638 . 1 . . . . . 87 GLU CB . 51490 1
131 . 1 . 1 29 29 GLU N N 15 122.8460226 0.01419514219 . 1 . . . . . 87 GLU N . 51490 1
132 . 1 . 1 30 30 GLN H H 1 8.884546364 0.002178790126 . 1 . . . . . 88 GLN H . 51490 1
133 . 1 . 1 30 30 GLN C C 13 176.8647776 0.02160536642 . 1 . . . . . 88 GLN C . 51490 1
134 . 1 . 1 30 30 GLN CA C 13 58.71014031 0.02528190378 . 1 . . . . . 88 GLN CA . 51490 1
135 . 1 . 1 30 30 GLN CB C 13 28.41353837 0.01795925908 . 1 . . . . . 88 GLN CB . 51490 1
136 . 1 . 1 30 30 GLN N N 15 122.7903606 0.02853054881 . 1 . . . . . 88 GLN N . 51490 1
137 . 1 . 1 31 31 GLY H H 1 8.754830626 0.002675786881 . 1 . . . . . 89 GLY H . 51490 1
138 . 1 . 1 31 31 GLY C C 13 173.7594537 0.01298817647 . 1 . . . . . 89 GLY C . 51490 1
139 . 1 . 1 31 31 GLY CA C 13 45.15657567 0.005570105783 . 1 . . . . . 89 GLY CA . 51490 1
140 . 1 . 1 31 31 GLY N N 15 116.3228847 0.04689415774 . 1 . . . . . 89 GLY N . 51490 1
141 . 1 . 1 32 32 GLN H H 1 8.06789718 0.0007800039266 . 1 . . . . . 90 GLN H . 51490 1
142 . 1 . 1 32 32 GLN C C 13 175.0139417 0.005201043154 . 1 . . . . . 90 GLN C . 51490 1
143 . 1 . 1 32 32 GLN CA C 13 57.38755443 0.06173135192 . 1 . . . . . 90 GLN CA . 51490 1
144 . 1 . 1 32 32 GLN CB C 13 30.05411325 0.01672376713 . 1 . . . . . 90 GLN CB . 51490 1
145 . 1 . 1 32 32 GLN N N 15 122.8659244 0.01054515542 . 1 . . . . . 90 GLN N . 51490 1
146 . 1 . 1 33 33 ILE H H 1 8.155835298 0.0009667874558 . 1 . . . . . 91 ILE H . 51490 1
147 . 1 . 1 33 33 ILE C C 13 176.7189128 0.008559405237 . 1 . . . . . 91 ILE C . 51490 1
148 . 1 . 1 33 33 ILE CA C 13 61.20844741 0.04509257171 . 1 . . . . . 91 ILE CA . 51490 1
149 . 1 . 1 33 33 ILE CB C 13 38.9037463 0.05134139372 . 1 . . . . . 91 ILE CB . 51490 1
150 . 1 . 1 33 33 ILE N N 15 126.0043594 0.01191582113 . 1 . . . . . 91 ILE N . 51490 1
151 . 1 . 1 34 34 VAL H H 1 8.851186487 0.00171131532 . 1 . . . . . 92 VAL H . 51490 1
152 . 1 . 1 34 34 VAL C C 13 174.5307557 0.01025123984 . 1 . . . . . 92 VAL C . 51490 1
153 . 1 . 1 34 34 VAL CA C 13 58.55931589 0.03546434387 . 1 . . . . . 92 VAL CA . 51490 1
154 . 1 . 1 34 34 VAL CB C 13 35.43178111 0.0366196339 . 1 . . . . . 92 VAL CB . 51490 1
155 . 1 . 1 34 34 VAL N N 15 119.0930034 0.01003531894 . 1 . . . . . 92 VAL N . 51490 1
156 . 1 . 1 35 35 GLU H H 1 8.609825423 0.001693572607 . 1 . . . . . 93 GLU H . 51490 1
157 . 1 . 1 35 35 GLU C C 13 176.490634 0.02134155049 . 1 . . . . . 93 GLU C . 51490 1
158 . 1 . 1 35 35 GLU CA C 13 54.34866195 0.04734742787 . 1 . . . . . 93 GLU CA . 51490 1
159 . 1 . 1 35 35 GLU CB C 13 32.6036248 0.01244309521 . 1 . . . . . 93 GLU CB . 51490 1
160 . 1 . 1 35 35 GLU N N 15 118.5324365 0.01348446241 . 1 . . . . . 93 GLU N . 51490 1
161 . 1 . 1 36 36 VAL H H 1 8.320795164 0.001395499285 . 1 . . . . . 94 VAL H . 51490 1
162 . 1 . 1 36 36 VAL C C 13 174.536586 0.005218376889 . 1 . . . . . 94 VAL C . 51490 1
163 . 1 . 1 36 36 VAL CA C 13 63.09874948 0.05433266734 . 1 . . . . . 94 VAL CA . 51490 1
164 . 1 . 1 36 36 VAL CB C 13 31.92089901 0.1211152935 . 1 . . . . . 94 VAL CB . 51490 1
165 . 1 . 1 36 36 VAL N N 15 122.6983499 0.04620841851 . 1 . . . . . 94 VAL N . 51490 1
166 . 1 . 1 37 37 LEU H H 1 8.176416591 0.003945231272 . 1 . . . . . 95 LEU H . 51490 1
167 . 1 . 1 37 37 LEU C C 13 178.0494954 0.002322497534 . 1 . . . . . 95 LEU C . 51490 1
168 . 1 . 1 37 37 LEU CA C 13 56.22926596 0.05257896334 . 1 . . . . . 95 LEU CA . 51490 1
169 . 1 . 1 37 37 LEU CB C 13 41.42825579 0.02217470823 . 1 . . . . . 95 LEU CB . 51490 1
170 . 1 . 1 37 37 LEU N N 15 130.0681946 0.0427081181 . 1 . . . . . 95 LEU N . 51490 1
171 . 1 . 1 38 38 ASP H H 1 6.967601522 0.001598134788 . 1 . . . . . 96 ASP H . 51490 1
172 . 1 . 1 38 38 ASP C C 13 175.1122933 0.006728912964 . 1 . . . . . 96 ASP C . 51490 1
173 . 1 . 1 38 38 ASP CA C 13 54.81690351 0.07558241311 . 1 . . . . . 96 ASP CA . 51490 1
174 . 1 . 1 38 38 ASP CB C 13 43.46608288 0.02601791972 . 1 . . . . . 96 ASP CB . 51490 1
175 . 1 . 1 38 38 ASP N N 15 116.7780047 0.02914370195 . 1 . . . . . 96 ASP N . 51490 1
176 . 1 . 1 39 39 LYS H H 1 8.550810101 0.002417909924 . 1 . . . . . 97 LYS H . 51490 1
177 . 1 . 1 39 39 LYS C C 13 175.97461 0.01255069663 . 1 . . . . . 97 LYS C . 51490 1
178 . 1 . 1 39 39 LYS CA C 13 54.78368714 0.0675921915 . 1 . . . . . 97 LYS CA . 51490 1
179 . 1 . 1 39 39 LYS CB C 13 29.3295481 0.1223739508 . 1 . . . . . 97 LYS CB . 51490 1
180 . 1 . 1 39 39 LYS N N 15 126.0357774 0.0606072027 . 1 . . . . . 97 LYS N . 51490 1
181 . 1 . 1 40 40 LYS H H 1 8.166167044 0.003314945649 . 1 . . . . . 98 LYS H . 51490 1
182 . 1 . 1 40 40 LYS C C 13 177.4539886 0.03338253995 . 1 . . . . . 98 LYS C . 51490 1
183 . 1 . 1 40 40 LYS CA C 13 59.39541369 0.02525425485 . 1 . . . . . 98 LYS CA . 51490 1
184 . 1 . 1 40 40 LYS CB C 13 32.59434197 0.03695361333 . 1 . . . . . 98 LYS CB . 51490 1
185 . 1 . 1 40 40 LYS N N 15 123.4109865 0.01002816501 . 1 . . . . . 98 LYS N . 51490 1
186 . 1 . 1 41 41 ASN H H 1 8.674796077 0.00227862863 . 1 . . . . . 99 ASN H . 51490 1
187 . 1 . 1 41 41 ASN C C 13 175.3100411 0.01558931112 . 1 . . . . . 99 ASN C . 51490 1
188 . 1 . 1 41 41 ASN CA C 13 52.65715309 0.04157656871 . 1 . . . . . 99 ASN CA . 51490 1
189 . 1 . 1 41 41 ASN CB C 13 39.72578737 0.08744728756 . 1 . . . . . 99 ASN CB . 51490 1
190 . 1 . 1 41 41 ASN N N 15 118.8248603 0.02504743031 . 1 . . . . . 99 ASN N . 51490 1
191 . 1 . 1 42 42 SER H H 1 8.360343722 0.001384113024 . 1 . . . . . 100 SER H . 51490 1
192 . 1 . 1 42 42 SER C C 13 175.9797387 0.02595417544 . 1 . . . . . 100 SER C . 51490 1
193 . 1 . 1 42 42 SER CA C 13 61.2348568 0.05081843455 . 1 . . . . . 100 SER CA . 51490 1
194 . 1 . 1 42 42 SER CB C 13 63.42894753 0.03543935865 . 1 . . . . . 100 SER CB . 51490 1
195 . 1 . 1 42 42 SER N N 15 117.0867117 0.09099185974 . 1 . . . . . 100 SER N . 51490 1
196 . 1 . 1 43 43 VAL H H 1 7.729015514 0.000746536043 . 1 . . . . . 101 VAL H . 51490 1
197 . 1 . 1 43 43 VAL C C 13 177.1969001 0.002778198475 . 1 . . . . . 101 VAL C . 51490 1
198 . 1 . 1 43 43 VAL CA C 13 64.23884056 0.05430721464 . 1 . . . . . 101 VAL CA . 51490 1
199 . 1 . 1 43 43 VAL CB C 13 32.32619998 0.00803259369 . 1 . . . . . 101 VAL CB . 51490 1
200 . 1 . 1 43 43 VAL N N 15 118.5696845 0.006426434846 . 1 . . . . . 101 VAL N . 51490 1
201 . 1 . 1 44 44 ARG H H 1 7.496612456 0.002470987851 . 1 . . . . . 102 ARG H . 51490 1
202 . 1 . 1 44 44 ARG C C 13 173.1880437 0.009929654051 . 1 . . . . . 102 ARG C . 51490 1
203 . 1 . 1 44 44 ARG CA C 13 56.58699191 0.03379119661 . 1 . . . . . 102 ARG CA . 51490 1
204 . 1 . 1 44 44 ARG CB C 13 33.51030985 0.003129042419 . 1 . . . . . 102 ARG CB . 51490 1
205 . 1 . 1 44 44 ARG N N 15 120.9291351 0.0195300236 . 1 . . . . . 102 ARG N . 51490 1
206 . 1 . 1 45 45 TRP H H 1 9.161603528 0.003609847964 . 1 . . . . . 103 TRP H . 51490 1
207 . 1 . 1 45 45 TRP C C 13 174.4113687 0.004931948096 . 1 . . . . . 103 TRP C . 51490 1
208 . 1 . 1 45 45 TRP CA C 13 54.34284117 0.09113428991 . 1 . . . . . 103 TRP CA . 51490 1
209 . 1 . 1 45 45 TRP CB C 13 31.93984479 0.0229753951 . 1 . . . . . 103 TRP CB . 51490 1
210 . 1 . 1 45 45 TRP N N 15 126.7965404 0.06615008639 . 1 . . . . . 103 TRP N . 51490 1
211 . 1 . 1 46 46 LEU H H 1 8.182547106 0.001165540894 . 1 . . . . . 104 LEU H . 51490 1
212 . 1 . 1 46 46 LEU C C 13 175.9876785 0.007477027539 . 1 . . . . . 104 LEU C . 51490 1
213 . 1 . 1 46 46 LEU CA C 13 54.02921318 0.06443923663 . 1 . . . . . 104 LEU CA . 51490 1
214 . 1 . 1 46 46 LEU CB C 13 41.00728849 0.038511609 . 1 . . . . . 104 LEU CB . 51490 1
215 . 1 . 1 46 46 LEU N N 15 126.3125125 0.03256719792 . 1 . . . . . 104 LEU N . 51490 1
216 . 1 . 1 47 47 VAL H H 1 8.529282232 0.001127481801 . 1 . . . . . 105 VAL H . 51490 1
217 . 1 . 1 47 47 VAL C C 13 173.2849699 0.01780307617 . 1 . . . . . 105 VAL C . 51490 1
218 . 1 . 1 47 47 VAL CA C 13 58.33554222 0.03153486052 . 1 . . . . . 105 VAL CA . 51490 1
219 . 1 . 1 47 47 VAL CB C 13 34.96117559 0.0591358691 . 1 . . . . . 105 VAL CB . 51490 1
220 . 1 . 1 47 47 VAL N N 15 121.1095444 0.0527172232 . 1 . . . . . 105 VAL N . 51490 1
221 . 1 . 1 48 48 ARG H H 1 8.746717237 0.002249225469 . 1 . . . . . 106 ARG H . 51490 1
222 . 1 . 1 48 48 ARG C C 13 176.2331046 0.0113011023 . 1 . . . . . 106 ARG C . 51490 1
223 . 1 . 1 48 48 ARG CA C 13 54.16697808 0.01228137923 . 1 . . . . . 106 ARG CA . 51490 1
224 . 1 . 1 48 48 ARG CB C 13 35.10383789 0 . 1 . . . . . 106 ARG CB . 51490 1
225 . 1 . 1 48 48 ARG N N 15 120.8919892 0.02678370828 . 1 . . . . . 106 ARG N . 51490 1
226 . 1 . 1 49 49 THR H H 1 9.020072613 0.001919211219 . 1 . . . . . 107 THR H . 51490 1
227 . 1 . 1 49 49 THR C C 13 173.9288791 0.01652861763 . 1 . . . . . 107 THR C . 51490 1
228 . 1 . 1 49 49 THR CA C 13 61.76474215 0.03625947578 . 1 . . . . . 107 THR CA . 51490 1
229 . 1 . 1 49 49 THR CB C 13 70.04080744 0.02458087349 . 1 . . . . . 107 THR CB . 51490 1
230 . 1 . 1 49 49 THR N N 15 117.0355807 0.0694042768 . 1 . . . . . 107 THR N . 51490 1
231 . 1 . 1 50 50 LYS H H 1 8.332186453 0.002579657301 . 1 . . . . . 108 LYS H . 51490 1
232 . 1 . 1 50 50 LYS C C 13 176.2332304 0.004631761608 . 1 . . . . . 108 LYS C . 51490 1
233 . 1 . 1 50 50 LYS CA C 13 55.23107277 0.05398196731 . 1 . . . . . 108 LYS CA . 51490 1
234 . 1 . 1 50 50 LYS CB C 13 30.81128408 0.0978733141 . 1 . . . . . 108 LYS CB . 51490 1
235 . 1 . 1 50 50 LYS N N 15 119.1001923 0.04175103314 . 1 . . . . . 108 LYS N . 51490 1
236 . 1 . 1 51 51 ALA H H 1 6.76052227 0.002219945183 . 1 . . . . . 109 ALA H . 51490 1
237 . 1 . 1 51 51 ALA C C 13 175.0736842 0.004894285209 . 1 . . . . . 109 ALA C . 51490 1
238 . 1 . 1 51 51 ALA CA C 13 51.66972725 0.02379263195 . 1 . . . . . 109 ALA CA . 51490 1
239 . 1 . 1 51 51 ALA CB C 13 20.72911917 0.02252933098 . 1 . . . . . 109 ALA CB . 51490 1
240 . 1 . 1 51 51 ALA N N 15 123.2758193 0.01247211071 . 1 . . . . . 109 ALA N . 51490 1
241 . 1 . 1 52 52 ARG H H 1 7.954765266 0.001078036962 . 1 . . . . . 110 ARG H . 51490 1
242 . 1 . 1 52 52 ARG C C 13 174.3081681 0 . 1 . . . . . 110 ARG C . 51490 1
243 . 1 . 1 52 52 ARG CA C 13 52.64063014 0.025534582 . 1 . . . . . 110 ARG CA . 51490 1
244 . 1 . 1 52 52 ARG CB C 13 31.11087172 0 . 1 . . . . . 110 ARG CB . 51490 1
245 . 1 . 1 52 52 ARG N N 15 118.8147395 0.006192076835 . 1 . . . . . 110 ARG N . 51490 1
246 . 1 . 1 54 54 PRO C C 13 177.4153351 0 . 1 . . . . . 112 PRO C . 51490 1
247 . 1 . 1 54 54 PRO CA C 13 63.65378703 0 . 1 . . . . . 112 PRO CA . 51490 1
248 . 1 . 1 54 54 PRO CB C 13 32.44901635 0 . 1 . . . . . 112 PRO CB . 51490 1
249 . 1 . 1 55 55 ARG H H 1 7.614219273 0.001139521119 . 1 . . . . . 113 ARG H . 51490 1
250 . 1 . 1 55 55 ARG C C 13 174.9589944 0.009031912673 . 1 . . . . . 113 ARG C . 51490 1
251 . 1 . 1 55 55 ARG CA C 13 54.72426654 0.01410866469 . 1 . . . . . 113 ARG CA . 51490 1
252 . 1 . 1 55 55 ARG CB C 13 33.09478927 0.05920531079 . 1 . . . . . 113 ARG CB . 51490 1
253 . 1 . 1 55 55 ARG N N 15 121.5526695 0.01876027887 . 1 . . . . . 113 ARG N . 51490 1
254 . 1 . 1 56 56 SER H H 1 8.344974179 0.001150757281 . 1 . . . . . 114 SER H . 51490 1
255 . 1 . 1 56 56 SER C C 13 173.5168312 0.01269880276 . 1 . . . . . 114 SER C . 51490 1
256 . 1 . 1 56 56 SER CA C 13 56.38156693 0.05432689309 . 1 . . . . . 114 SER CA . 51490 1
257 . 1 . 1 56 56 SER CB C 13 66.08465538 0.03391130615 . 1 . . . . . 114 SER CB . 51490 1
258 . 1 . 1 56 56 SER N N 15 116.2350512 0.0149883702 . 1 . . . . . 114 SER N . 51490 1
259 . 1 . 1 57 57 GLY H H 1 8.278618473 0.001120785422 . 1 . . . . . 115 GLY H . 51490 1
260 . 1 . 1 57 57 GLY C C 13 170.655438 0.04329669457 . 1 . . . . . 115 GLY C . 51490 1
261 . 1 . 1 57 57 GLY CA C 13 45.73293523 0.02581814485 . 1 . . . . . 115 GLY CA . 51490 1
262 . 1 . 1 57 57 GLY N N 15 110.3518128 0.01885645774 . 1 . . . . . 115 GLY N . 51490 1
263 . 1 . 1 58 58 TRP H H 1 8.226836423 0.003317607576 . 1 . . . . . 116 TRP H . 51490 1
264 . 1 . 1 58 58 TRP C C 13 177.5798933 0.02200362206 . 1 . . . . . 116 TRP C . 51490 1
265 . 1 . 1 58 58 TRP CA C 13 56.83063741 0.03700060872 . 1 . . . . . 116 TRP CA . 51490 1
266 . 1 . 1 58 58 TRP CB C 13 30.76381682 0.1018630497 . 1 . . . . . 116 TRP CB . 51490 1
267 . 1 . 1 58 58 TRP N N 15 122.1071177 0.02188208211 . 1 . . . . . 116 TRP N . 51490 1
268 . 1 . 1 59 59 VAL H H 1 9.26975289 0.002192357474 . 1 . . . . . 117 VAL H . 51490 1
269 . 1 . 1 59 59 VAL C C 13 173.1705018 0 . 1 . . . . . 117 VAL C . 51490 1
270 . 1 . 1 59 59 VAL CA C 13 59.15288906 0 . 1 . . . . . 117 VAL CA . 51490 1
271 . 1 . 1 59 59 VAL CB C 13 37.51116896 0 . 1 . . . . . 117 VAL CB . 51490 1
272 . 1 . 1 59 59 VAL N N 15 122.2938794 0.02528708368 . 1 . . . . . 117 VAL N . 51490 1
273 . 1 . 1 60 60 PRO C C 13 177.0821212 0 . 1 . . . . . 118 PRO C . 51490 1
274 . 1 . 1 60 60 PRO CA C 13 63.73227507 0.0006726301529 . 1 . . . . . 118 PRO CA . 51490 1
275 . 1 . 1 60 60 PRO CB C 13 31.47955172 0.03160121839 . 1 . . . . . 118 PRO CB . 51490 1
276 . 1 . 1 61 61 GLY H H 1 7.140795426 0.007291326137 . 1 . . . . . 119 GLY H . 51490 1
277 . 1 . 1 61 61 GLY C C 13 174.8367077 0.02768831238 . 1 . . . . . 119 GLY C . 51490 1
278 . 1 . 1 61 61 GLY CA C 13 45.75605054 0.03874060372 . 1 . . . . . 119 GLY CA . 51490 1
279 . 1 . 1 61 61 GLY N N 15 110.4953887 0.0422068695 . 1 . . . . . 119 GLY N . 51490 1
280 . 1 . 1 62 62 SER H H 1 7.386484072 0.00422170336 . 1 . . . . . 120 SER H . 51490 1
281 . 1 . 1 62 62 SER C C 13 175.3776704 0.0292986064 . 1 . . . . . 120 SER C . 51490 1
282 . 1 . 1 62 62 SER CA C 13 59.6998786 0.02444581609 . 1 . . . . . 120 SER CA . 51490 1
283 . 1 . 1 62 62 SER CB C 13 62.42817126 0.03733478078 . 1 . . . . . 120 SER CB . 51490 1
284 . 1 . 1 62 62 SER N N 15 113.2712591 0.01225190914 . 1 . . . . . 120 SER N . 51490 1
285 . 1 . 1 63 63 TYR H H 1 6.770244757 0.001440221364 . 1 . . . . . 121 TYR H . 51490 1
286 . 1 . 1 63 63 TYR C C 13 173.0887608 0.01487035454 . 1 . . . . . 121 TYR C . 51490 1
287 . 1 . 1 63 63 TYR CA C 13 60.6686482 0.03713534258 . 1 . . . . . 121 TYR CA . 51490 1
288 . 1 . 1 63 63 TYR CB C 13 36.58244912 0.05689931958 . 1 . . . . . 121 TYR CB . 51490 1
289 . 1 . 1 63 63 TYR N N 15 120.7292896 0.03075611709 . 1 . . . . . 121 TYR N . 51490 1
290 . 1 . 1 64 64 PHE H H 1 6.846498335 0.002699087525 . 1 . . . . . 122 PHE H . 51490 1
291 . 1 . 1 64 64 PHE C C 13 175.6452387 0.01653442466 . 1 . . . . . 122 PHE C . 51490 1
292 . 1 . 1 64 64 PHE CA C 13 57.80162644 0.06791046405 . 1 . . . . . 122 PHE CA . 51490 1
293 . 1 . 1 64 64 PHE CB C 13 43.06417654 0.02068317768 . 1 . . . . . 122 PHE CB . 51490 1
294 . 1 . 1 64 64 PHE N N 15 116.4395705 0.04833147839 . 1 . . . . . 122 PHE N . 51490 1
295 . 1 . 1 65 65 GLU H H 1 8.515083531 0.00251501383 . 1 . . . . . 123 GLU H . 51490 1
296 . 1 . 1 65 65 GLU C C 13 175.3073064 0.004652784941 . 1 . . . . . 123 GLU C . 51490 1
297 . 1 . 1 65 65 GLU CA C 13 55.27184245 0.0572056292 . 1 . . . . . 123 GLU CA . 51490 1
298 . 1 . 1 65 65 GLU CB C 13 32.95626349 0.03248783513 . 1 . . . . . 123 GLU CB . 51490 1
299 . 1 . 1 65 65 GLU N N 15 120.7391858 0.03266611745 . 1 . . . . . 123 GLU N . 51490 1
300 . 1 . 1 66 66 THR H H 1 8.391211739 0.0009412324119 . 1 . . . . . 124 THR H . 51490 1
301 . 1 . 1 66 66 THR C C 13 173.1330585 0 . 1 . . . . . 124 THR C . 51490 1
302 . 1 . 1 66 66 THR CA C 13 60.54786151 0.03042387324 . 1 . . . . . 124 THR CA . 51490 1
303 . 1 . 1 66 66 THR CB C 13 69.34339311 0 . 1 . . . . . 124 THR CB . 51490 1
304 . 1 . 1 66 66 THR N N 15 119.2141007 0.03678922436 . 1 . . . . . 124 THR N . 51490 1
305 . 1 . 1 67 67 PRO C C 13 177.0981873 0.002323571842 . 1 . . . . . 125 PRO C . 51490 1
306 . 1 . 1 67 67 PRO CA C 13 63.22432953 0.06270991487 . 1 . . . . . 125 PRO CA . 51490 1
307 . 1 . 1 67 67 PRO CB C 13 32.12063938 0.03452207876 . 1 . . . . . 125 PRO CB . 51490 1
308 . 1 . 1 68 68 THR H H 1 8.130052045 0.001374252849 . 1 . . . . . 126 THR H . 51490 1
309 . 1 . 1 68 68 THR C C 13 174.5273486 0.005619350446 . 1 . . . . . 126 THR C . 51490 1
310 . 1 . 1 68 68 THR CA C 13 62.47774913 0.09201433483 . 1 . . . . . 126 THR CA . 51490 1
311 . 1 . 1 68 68 THR CB C 13 69.89576851 0.01995967423 . 1 . . . . . 126 THR CB . 51490 1
312 . 1 . 1 68 68 THR N N 15 116.214616 0.005685527459 . 1 . . . . . 126 THR N . 51490 1
313 . 1 . 1 69 69 GLU H H 1 8.027997989 0.0007111931302 . 1 . . . . . 127 GLU H . 51490 1
314 . 1 . 1 69 69 GLU C C 13 175.090506 0.0008494106833 . 1 . . . . . 127 GLU C . 51490 1
315 . 1 . 1 69 69 GLU CA C 13 56.54227326 0.03199946087 . 1 . . . . . 127 GLU CA . 51490 1
316 . 1 . 1 69 69 GLU CB C 13 30.68303218 0.0115457929 . 1 . . . . . 127 GLU CB . 51490 1
317 . 1 . 1 69 69 GLU N N 15 124.27021 0.01117826153 . 1 . . . . . 127 GLU N . 51490 1
318 . 1 . 1 70 70 PHE H H 1 7.523970506 0.001070794559 . 1 . . . . . 128 PHE H . 51490 1
319 . 1 . 1 70 70 PHE C C 13 180.4921949 0 . 1 . . . . . 128 PHE C . 51490 1
320 . 1 . 1 70 70 PHE CA C 13 59.25874355 0.002218892945 . 1 . . . . . 128 PHE CA . 51490 1
321 . 1 . 1 70 70 PHE CB C 13 40.30255827 0 . 1 . . . . . 128 PHE CB . 51490 1
322 . 1 . 1 70 70 PHE N N 15 126.4897264 0.006020540143 . 1 . . . . . 128 PHE N . 51490 1
stop_
save_