Content for NMR-STAR saveframe, chem_shift_perturbation_1
save_chem_shift_perturbation_1
_Chem_shift_perturbation_list.Sf_category chem_shift_perturbation
_Chem_shift_perturbation_list.Sf_framecode chem_shift_perturbation_1
_Chem_shift_perturbation_list.Entry_ID 52196
_Chem_shift_perturbation_list.ID 1
_Chem_shift_perturbation_list.Name hCAII_SBR
_Chem_shift_perturbation_list.Type 'ligand binding'
_Chem_shift_perturbation_list.Entity_assembly_ID .
_Chem_shift_perturbation_list.Titrated_entity_assembly_name .
_Chem_shift_perturbation_list.Sample_condition_list_ID 1
_Chem_shift_perturbation_list.Sample_condition_list_label $sample_conditions_1
_Chem_shift_perturbation_list.Chem_shift_ref_set_ID 1
_Chem_shift_perturbation_list.Chem_shift_ref_set_label $chem_shift_reference_1
_Chem_shift_perturbation_list.Details .
_Chem_shift_perturbation_list.Text_data_format text
_Chem_shift_perturbation_list.Text_data
;
loop_
_nef_peak.index
_nef_peak.peak_id
_nef_peak.volume
_nef_peak.volume_uncertainty
_nef_peak.height
_nef_peak.height_uncertainty
_nef_peak.position_1
_nef_peak.position_uncertainty_1
_nef_peak.position_2
_nef_peak.position_uncertainty_2
_nef_peak.chain_code_1
_nef_peak.sequence_code_1
_nef_peak.residue_name_1
_nef_peak.atom_name_1
_nef_peak.chain_code_2
_nef_peak.sequence_code_2
_nef_peak.residue_name_2
_nef_peak.atom_name_2
_nef_peak.ccpn_figure_of_merit
_nef_peak.ccpn_linked_integral
_nef_peak.ccpn_annotation
_nef_peak.ccpn_comment
_nef_peak.ccpn_peak_list_serial
1 1 . . 703509440 . 12.19526037 . 133.3275896 . A 123 TRP HE1 A 123 TRP NE1 1 . . . 1
2 2 . . 1053044288 . 9.689501161 . 132.0699779 . A 110 ASP H A 110 ASP N 1 . . . 1
3 3 . . 918795648 . 8.987543494 . 131.4777603 . A 72 ASP H A 72 ASP N 1 . . . 1
4 4 . . 997672832 . 10.21663261 . 130.536354 . A 97 TRP HE1 A 97 TRP NE1 1 . . . 1
5 5 . . 807539392 . 10.10996054 . 130.5084549 . A 208 TRP HE1 A 208 TRP NE1 1 . . . 1
6 6 . . 116663800 . 9.74628037 . 130.333215 . A 118 LEU H A 118 LEU N 1 . . . 1
7 7 . . 1205037184 . 9.009189921 . 129.7635164 . A 238 GLU H A 238 GLU N 1 . . . 1
8 8 . . 678077440 . 9.602966654 . 129.389844 . . . . . . . . . 1 . . . 1
9 9 . . 1029505664 . 8.260792025 . 129.3718667 . A 208 TRP H A 208 TRP N 1 . . . 1
10 10 . . 1157474176 . 10.47697055 . 128.7910333 . A 191 TRP HE1 A 191 TRP NE1 1 . . . 1
11 11 . . 754861760 . 10.08596901 . 128.8123645 . A 146 PHE H A 146 PHE N 1 . . . 1
12 12 . . 1124376064 . 7.721657592 . 128.7512913 . A 41 ASP H A 41 ASP N 1 . . . 1
13 13 . . 1087716224 . 9.722386713 . 128.4221173 . A 210 VAL H A 210 VAL N 1 . . . 1
14 14 . . 1381583616 . 7.415304063 . 128.326911 . A 34 ASP H A 34 ASP N 1 . . . 1
15 15 . . 601579776 . 10.24440225 . 128.2806679 . A 5 TRP HE1 A 5 TRP NE1 1 . . . 1
16 16 . . 1039422144 . 8.720707507 . 128.2633319 . A 33 ILE H A 33 ILE N 1 . . . 1
17 17 . . 1238402048 . 8.488188438 . 128.1616364 . A 143 LEU H A 143 LEU N 1 . . . 1
18 18 . . 552461056 . 7.948393714 . 128.035326 . A 179 ASP H A 179 ASP N 1 . . . 1
19 19 . . 1743237504 . 7.474886549 . 127.3200688 . A 38 ALA H A 38 ALA N 1 . . . 1
20 20 . . 1116482048 . 8.35320886 . 127.1453505 . A 49 VAL H A 49 VAL N 1 . . . 1
21 21 . . 1168290432 . 8.789032725 . 127.0970636 . A 209 ILE H A 209 ILE N 1 . . . 1
22 22 . . 582500992 . 10.83394203 . 126.8481972 . A 244 TRP HE1 A 244 TRP NE1 1 . . . 1
23 23 . . 436894752 . 10.48112465 . 126.8101666 . A 245 ARG H A 245 ARG N 1 . . . 1
24 24 . . 1050024512 . 8.973039461 . 126.7597482 . A 211 LEU H A 211 LEU N 1 . . . 1
25 25 . . 340444320 . 8.683445703 . 126.7252885 . A 40 TYR H A 40 TYR N 1 . . . 1
26 26 . . 1008967808 . 9.204906154 . 126.517042 . A 121 VAL H A 121 VAL N 1 . . . 1
27 27 . . 914594240 . 8.777014845 . 126.3843855 . A 256 LYS H A 256 LYS N 1 . . . 1
28 28 . . 885235840 . 9.925624245 . 126.2260942 . A 56 SER H A 56 SER N 1 . . . 1
29 29 . . 1011777984 . 8.514949609 . 126.1316925 . A 88 TYR H A 88 TYR N 1 . . . 1
30 30 . . 1694426624 . 8.671283988 . 125.7519595 . A 250 LEU H A 250 LEU N 1 . . . 1
31 31 . . 480900384 . 7.707329046 . 125.6923341 . . . . . . . . . 1 . . . 1
32 32 . . 1320057856 . 8.090410254 . 125.5542369 . A 193 TYR H A 193 TYR N 1 . . . 1
33 33 . . 743534976 . 7.039503033 . 125.497535 . . . . . . . . . 1 . . . 1
34 34 . . 1253228774 . 8.962703595 . 125.3850641 . A 119 HIS H A 119 HIS N 1 . . . 1
35 35 . . 339527904 . 10.08304879 . 125.3535995 . . . . . . . . . 1 . . . 1
36 36 . . 1271087488 . 7.991801078 . 125.2244978 . A 175 PHE H A 175 PHE N 1 . . . 1
37 37 . . 1064813696 . 8.464842061 . 125.0302471 . A 207 THR H A 207 THR N 1 . . . 1
38 38 . . 1027680768 . 8.748355427 . 124.6072609 . A 204 GLU H A 204 GLU N 1 . . . 1
39 40 . . 1307262592 . 8.89758209 . 124.4392565 . A 85 ASP H A 85 ASP N 1 . . . 1
40 41 . . 1167419392 . 8.256945261 . 124.3490891 . A 112 LYS H A 112 LYS N 1 . . . 1
41 42 . . 1295632000 . 8.051518555 . 124.3176763 . A 133 ALA H A 133 ALA N 1 . . . 1
42 43 . . 987471424 . 9.168382841 . 124.2434292 . A 145 ILE H A 145 ILE N 1 . . . 1
43 44 . . 748510272 . 7.799459143 . 124.2439228 . . . . . . . . . 1 . . . 1
44 45 . . 1209816576 . 7.702258989 . 124.1940838 . A 260 LYS H A 260 LYS N 1 . . . 1
45 46 . . 1056779061 . 8.548239204 . 124.0476026 . . . . . . . . . 1 . . . 1
46 47 . . 1244974336 . 7.242133108 . 124.1613466 . A 142 VAL H A 142 VAL N 1 . . . 1
47 48 . . 830186944 . 7.966859486 . 123.9466032 . A 76 LYS H A 76 LYS N 1 . . . 1
48 49 . . 1732900736 . 8.706118756 . 123.8390015 . A 153 LYS H A 153 LYS N 1 . . . 1
49 50 . . 1394252436 . 8.446925509 . 123.7393803 . A 257 ALA H A 257 ALA N 1 . . . 1
50 51 . . 1500367101 . 9.042753581 . 123.5903213 . A 51 TYR H A 51 TYR N 1 . . . 1
51 52 . . 839866304 . 8.591149894 . 123.2544833 . A 65 ALA H A 65 ALA N 1 . . . 1
52 53 . . 1822242560 . 8.21024087 . 123.2041949 . A 237 GLU H A 237 GLU N 1 . . . 1
53 54 . . 841171264 . 8.040462367 . 123.2125026 . A 62 ASN H A 62 ASN N 1 . . . 1
54 55 . . 1152579456 . 8.695872045 . 123.0359396 . A 23 ALA H A 23 ALA N 1 . . . 1
55 57 . . 1475854720 . 7.046662185 . 123.0294272 . A 44 LEU H A 44 LEU N 1 . . . 1
56 58 . . 1306878051 . 8.878824773 . 122.9227103 . A 141 ALA H A 141 ALA N 1 . . . 1
57 59 . . 1040288512 . 7.508401436 . 122.8816722 . A 45 LYS H A 45 LYS N 1 . . . 1
58 60 . . 1477958400 . 8.389066065 . 122.8092276 . A 50 SER H A 50 SER N 1 . . . 1
59 61 . . 1190194304 . 7.962127835 . 122.8254127 . A 126 LYS H A 126 LYS N 1 . . . 1
60 62 . . 975712960 . 8.608038604 . 122.75648 . A 89 ARG H A 89 ARG N 1 . . . 1
61 63 . . 1202026240 . 8.176659419 . 122.605746 . A 39 LYS H A 39 LYS N 1 . . . 1
62 64 . . 937276096 . 10.29274306 . 122.2026712 . A 35 THR H A 35 THR N 1 . . . 1
63 65 . . 994364224 . 9.036537138 . 122.1418841 . A 59 ILE H A 59 ILE N 1 . . . 1
64 66 . . 954555840 . 7.825983848 . 122.1782274 . A 157 GLN H A 157 GLN N 1 . . . 1
65 67 . . 909995311.6 . 8.605215349 . 121.879887 . A 174 ASP H A 174 ASP N 1 . . . 1
66 68 . . 900456320 . 8.708217394 . 121.840285 . A 248 GLN H A 248 GLN N 1 . . . 1
67 69 . . 960391680 . 8.644321495 . 121.7752624 . A 68 VAL H A 68 VAL N 1 . . . 1
68 70 . . 909318080 . 7.909045841 . 121.8015253 . A 113 LYS H A 113 LYS N 1 . . . 1
69 71 . . 1873290880 . 7.380695753 . 121.7246688 . A 189 ASP H A 189 ASP N 1 . . . 1
70 72 . . 1452493056 . 7.087342741 . 121.5075318 . A 163 LEU H A 163 LEU N 1 . . . 1
71 73 . . 877893448.7 . 8.873788745 . 121.5707841 . A 213 GLU H A 213 GLU N 1 . . . 1
72 74 . . 2145825152 . 8.425948267 . 121.3985567 . A 149 VAL H A 149 VAL N 1 . . . 1
73 75 . . 1022004032 . 9.449622082 . 121.048114 . A 117 GLU H A 117 GLU N 1 . . . 1
74 76 . . 945176448 . 8.162587356 . 121.0989722 . A 114 TYR H A 114 TYR N 1 . . . 1
75 77 . . 1073732474 . 7.617478756 . 120.9242798 . A 115 ALA H A 115 ALA N 1 . . . 1
76 78 . . 1110423144 . 8.839526295 . 120.7623612 . A 27 ARG H A 27 ARG N 1 . . . 1
77 79 . . 1028903616 . 8.389657696 . 120.7545353 . A 80 LYS H A 80 LYS N 1 . . . 1
78 80 . . 1996176072 . 7.954687654 . 120.6375228 . A 223 LEU H A 223 LEU N 1 . . . 1
79 81 . . 746757696 . 8.715019286 . 120.5401722 . A 196 SER H A 196 SER N 1 . . . 1
80 82 . . 827552128 . 7.483776838 . 120.5168883 . A 169 LYS H A 169 LYS N 1 . . . 1
81 83 . . 498220096 . 9.394876911 . 120.4852752 . A 55 THR H A 55 THR N 1 . . . 1
82 84 . . 881241728 . 9.209073172 . 120.4016965 . A 202 LEU H A 202 LEU N 1 . . . 1
83 85 . . 903844480 . 8.944579969 . 120.2779145 . A 101 ASP H A 101 ASP N 1 . . . 1
84 86 . . 1045617728 . 8.245874642 . 120.2918322 . A 147 LEU H A 147 LEU N 1 . . . 1
85 87 . . 1502745728 . 7.430519356 . 120.1825329 . A 54 ALA H A 54 ALA N 1 . . . 1
86 88 . . 1608519709 . 7.81243315 . 120.1144255 . A 84 LEU H A 84 LEU N 1 . . . 1
87 89 . . 1200182784 . 7.53427167 . 119.8908055 . A 130 PHE H A 130 PHE N 1 . . . 1
88 90 . . 1521420672 . 7.352373811 . 119.9395024 . A 235 GLU H A 235 GLU N 1 . . . 1
89 91 . . 1064982976 . 6.934610282 . 119.8171414 . A 18 LYS H A 18 LYS N 1 . . . 1
90 92 . . 1131552299 . 8.6582052 . 119.8469285 . A 7 TYR H A 7 TYR N 1 . . . 1
91 93 . . 1158726131 . 8.984312787 . 119.6151163 . A 148 LYS H A 148 LYS N 1 . . . 1
92 94 . . 1487178880 . 8.48179943 . 119.7038152 . A 48 SER H A 48 SER N 1 . . . 1
93 95 . . 1131986176 . 7.704200525 . 119.482867 . A 132 LYS H A 132 LYS N 1 . . . 1
94 97 . . 1504870400 . 7.134270565 . 119.3515116 . A 228 LEU H A 228 LEU N 1 . . . 1
95 98 . . 570707072 . 7.010132821 . 119.3715877 . . . . . . . . . 1 . . . 1
96 99 . . 872984672.2 . 9.102573501 . 119.193072 . A 123 TRP H A 123 TRP N 1 . . . 1
97 100 . . 914112320 . 9.564768993 . 119.1627511 . A 97 TRP H A 97 TRP N 1 . . . 1
98 102 . . 1025002624 . 8.602748372 . 119.0613828 . . . . . . . . . 1 . . . 1
99 104 . . 1095405824 . 7.387772514 . 119.0177702 . A 100 LEU H A 100 LEU N 1 . . . 1
100 105 . . 1112859008 . 7.275165753 . 118.971244 . A 206 VAL H A 206 VAL N 1 . . . 1
101 106 . . 926788262.6 . 8.249365364 . 118.9612378 . A 106 GLU H A 106 GLU N 1 . . . 1
102 107 . . 1276072320 . 8.710796876 . 118.6245791 . A 70 PHE H A 70 PHE N 1 . . . 1
103 108 . . 1872305024 . 7.136570059 . 118.5808222 . A 225 PHE H A 225 PHE N 1 . . . 1
104 109 . . 1202462848 . 7.65765114 . 118.4653765 . A 109 VAL H A 109 VAL N 1 . . . 1
105 110 . . 1333011072 . 7.325443669 . 118.4540122 . A 253 ARG H A 253 ARG N 1 . . . 1
106 111 . . 1152979456 . 8.894688871 . 118.3712739 . A 229 ASN H A 229 ASN N 1 . . . 1
107 112 . . 1616572032 . 8.335855597 . 118.3123226 . A 181 ARG H A 181 ARG N 1 . . . 1
108 113 . . 908760640 . 8.064104326 . 118.3693118 . A 29 SER H A 29 SER N 1 . . . 1
109 114 . . 694333376 . 8.534152709 . 118.1595645 . A 254 GLN H A 254 GLN N 1 . . . 1
110 115 . . 831503104 . 8.09001692 . 118.170397 . A 197 LEU H A 197 LEU N 1 . . . 1
111 116 . . 1417260160 . 7.580087917 . 118.2180616 . A 136 GLN H A 136 GLN N 1 . . . 1
112 118 . . 1419663104 . 6.698722268 . 117.9664159 . A 259 PHE H A 259 PHE N 1 . . . 1
113 119 . . 1333179648 . 9.109919612 . 117.9092896 . A 150 GLY H A 150 GLY N 1 . . . 1
114 120 . . 1244203520 . 7.536947741 . 117.7893533 . A 221 GLN H A 221 GLN N 1 . . . 1
115 121 . . 570908288 . 10.71919218 . 117.7114752 . A 107 HIS H A 107 HIS N 1 . . . 1
116 122 . . 1001835968 . 8.917430351 . 117.6674858 . A 57 LEU H A 57 LEU N 1 . . . 1
117 123 . . 1233981312 . 7.690992867 . 117.6452629 . A 74 GLN H A 74 GLN N 1 . . . 1
118 124 . . 1417888768 . 9.305120786 . 117.5791781 . A 26 GLU H A 26 GLU N 1 . . . 1
119 125 . . 1673400192 . 8.382495286 . 117.6013271 . A 161 ASP H A 161 ASP N 1 . . . 1
120 126 . . 994022976 . 8.852411936 . 117.277691 . A 230 PHE H A 230 PHE N 1 . . . 1
121 127 . . 1516949061 . 7.31399119 . 117.243345 . A 167 LYS H A 167 LYS N 1 . . . 1
122 128 . . 1097704576 . 8.178306303 . 117.1578095 . A 125 THR H A 125 THR N 1 . . . 1
123 129 . . 1002458880 . 9.554984741 . 117.1214889 . A 191 TRP H A 191 TRP N 1 . . . 1
124 130 . . 1005574592 . 8.416582718 . 117.0153761 . A 87 THR H A 87 THR N 1 . . . 1
125 132 . . 484838672 . 8.92685929 . 116.9060134 . A 95 PHE H A 95 PHE N 1 . . . 1
126 133 . . 643827200 . 8.332432423 . 116.6847769 . A 64 HIS H A 64 HIS N 1 . . . 1
127 134 . . 1151596544 . 7.536484584 . 116.7320863 . A 156 LEU H A 156 LEU N 1 . . . 1
128 135 . . 1606407808 . 8.074966873 . 116.6249804 . A 216 SER H A 216 SER N 1 . . . 1
129 136 . . 950641152 . 8.863697608 . 116.5162045 . A 170 GLY H A 170 GLY N 1 . . . 1
130 137 . . 873369472 . 8.460418328 . 116.3657864 . A 218 SER H A 218 SER N 1 . . . 1
131 138 . . 2057525632 . 7.48464776 . 116.3337394 . A 166 ILE H A 166 ILE N 1 . . . 1
132 139 . . 1024906304 . 8.935566792 . 116.2197874 . A 258 SER H A 258 SER N 1 . . . 1
133 140 . . 754547392 . 6.937800713 . 116.2418518 . A 231 ASN H A 231 ASN N 1 . . . 1
134 141 . . 1136481194 . 7.395418633 . 116.0425957 . A 103 GLN H A 103 GLN N 1 . . . 1
135 142 . . 1086733312 . 6.756116046 . 115.9702266 . A 157 GLN H A 157 GLN N 1 . . . 1
136 143 . . 1168292498 . 8.828084544 . 115.8328633 . A 158 LYS H A 158 LYS N 1 . . . 1
137 144 . . 2009415296 . 8.410484871 . 115.9415485 . A 78 VAL H A 78 VAL N 1 . . . 1
138 145 . . 1091926435 . 8.183423903 . 115.8999259 . A 164 ASP H A 164 ASP N 1 . . . 1
139 146 . . 1356766080 . 8.535618985 . 115.6959943 . A 217 VAL H A 217 VAL N 1 . . . 1
140 147 . . 617059648 . 9.667244716 . 115.5478734 . A 177 ASN H A 177 ASN N 1 . . . 1
141 148 . . 2081853952 . 8.723484123 . 115.5131573 . A 15 HIS H A 15 HIS N 1 . . . 1
142 149 . . 1612295424 . 7.6158618 . 115.3744587 . A 127 TYR H A 127 TYR N 1 . . . 1
143 150 . . 1650967552 . 7.341710026 . 115.2869234 . A 92 GLN H A 92 GLN N 1 . . . 1
144 151 . . 1041608000 . 8.797340925 . 115.239403 . A 96 HIS H A 96 HIS N 1 . . . 1
145 152 . . 1075852597 . 8.496680608 . 115.1695102 . A 71 ASP H A 71 ASP N 1 . . . 1
146 153 . . 1376735872 . 9.696535796 . 115.0959992 . A 192 THR H A 192 THR N 1 . . . 1
147 154 . . 1232371712 . 6.929449455 . 114.995885 . A 224 LYS H A 224 LYS N 1 . . . 1
148 155 . . 1107415936 . 6.743351529 . 114.9890603 . A 241 VAL H A 241 VAL N 1 . . . 1
149 156 . . 1017941440 . 8.075051592 . 114.8195627 . A 176 THR H A 176 THR N 1 . . . 1
150 157 . . 1434761088 . 7.857545097 . 114.8471203 . A 103 GLN H A 103 GLN N 1 . . . 1
151 158 . . 2043367843 . 7.149420809 . 114.6968576 . A 58 ARG H A 58 ARG N 1 . . . 1
152 159 . . 945733504 . 7.654671573 . 114.6108347 . A 205 CYS H A 205 CYS N 1 . . . 1
153 160 . . 2028442112 . 7.212087012 . 114.5959169 . A 19 ASP H A 19 ASP N 1 . . . 1
154 161 . . 892127040 . 8.86675654 . 114.5262963 . A 251 LYS H A 251 LYS N 1 . . . 1
155 162 . . 1884454759 . 7.373215555 . 114.5616039 . A 222 VAL H A 222 VAL N 1 . . . 1
156 163 . . 546429632 . 8.034356606 . 114.2956743 . A 53 GLN H A 53 GLN N 1 . . . 1
157 164 . . 1010953536 . 9.918936163 . 114.1186821 . A 144 GLY H A 144 GLY N 1 . . . 1
158 165 . . 1047771584 . 6.487375529 . 114.0163816 . A 244 TRP H A 244 TRP N 1 . . . 1
159 166 . . 1124150528 . 6.873425132 . 113.9490189 . A 227 LYS H A 227 LYS N 1 . . . 1
160 167 . . 1781869006 . 6.635063105 . 113.9698298 . A 135 GLN H A 135 GLN N 1 . . . 1
161 168 . . 1911907652 . 7.35296437 . 114.4890257 . A 160 VAL H A 160 VAL N 1 . . . 1
162 169 . . 1131189888 . 8.621449446 . 113.4816118 . A 93 PHE H A 93 PHE N 1 . . . 1
163 170 . . 1503222656 . 8.299042752 . 113.5198159 . A 172 SER H A 172 SER N 1 . . . 1
164 171 . . 422269920 . 6.950603865 . 113.473291 . A 252 ASN H A 252 ASN N 1 . . . 1
165 172 . . 1195585536 . 8.009828829 . 113.399243 . A 165 SER H A 165 SER N 1 . . . 1
166 174 . . 1015888256 . 8.241427869 . 113.2671283 . . . . . . . . . 1 . . . 1
167 175 . . 1249049728 . 8.912829967 . 113.2003021 . A 215 ILE H A 215 ILE N 1 . . . 1
168 176 . . 1611582513 . 7.160579246 . 113.8470092 . A 162 VAL H A 162 VAL N 1 . . . 1
169 177 . . 1748999808 . 6.656187221 . 113.084488 . A 184 LEU H A 184 LEU N 1 . . . 1
170 178 . . 472781248 . 7.619343159 . 112.7681165 . A 254 GLN H A 254 GLN N 1 . . . 1
171 179 . . 1492748468 . 7.050210726 . 113.1770804 . A 159 VAL H A 159 VAL N 1 . . . 1
172 180 . . 900823424 . 7.552624329 . 112.2620784 . A 177 ASN H A 177 ASN N 1 . . . 1
173 181 . . 1259202816 . 6.807187147 . 112.2834812 . A 53 GLN H A 53 GLN N 1 . . . 1
174 182 . . 1432032896 . 8.173493193 . 112.1190608 . A 116 ALA H A 116 ALA N 1 . . . 1
175 183 . . 879898240 . 8.458624816 . 111.9511166 . A 99 SER H A 99 SER N 1 . . . 1
176 185 . . 1154701824 . 7.322865815 . 111.7359322 . A 135 GLN H A 135 GLN N 1 . . . 1
177 186 . . 1920863232 . 7.635923253 . 111.2906098 . A 187 SER H A 187 SER N 1 . . . 1
178 187 . . 238343936 . 8.502231408 . 111.2318778 . . . . . . . . . 1 . . . 1
179 188 . . 718924224 . 7.069163708 . 111.2406301 . . . . . . . . . 1 . . . 1
180 189 . . 1193986048 . 5.984983652 . 110.8290367 . A 203 LEU H A 203 LEU N 1 . . . 1
181 190 . . 948867008 . 9.405115244 . 110.5956586 . A 195 GLY H A 195 GLY N 1 . . . 1
182 191 . . 970267520 . 8.278602395 . 110.5962809 . A 8 GLY H A 8 GLY N 1 . . . 1
183 192 . . 1176219776 . 8.169423462 . 110.607179 . A 231 ASN H A 231 ASN N 1 . . . 1
184 193 . . 747307499.8 . 7.061198467 . 110.0233511 . A 124 ASN H A 124 ASN N 1 . . . 1
185 194 . . 862559989.7 . 6.603696754 . 110.2221054 . A 136 GLN H A 136 GLN N 1 . . . 1
186 195 . . 870957056 . 7.171345943 . 109.9139778 . A 66 PHE H A 66 PHE N 1 . . . 1
187 196 . . 559757376 . 7.442391073 . 109.8294276 . A 221 GLN H A 221 GLN N 1 . . . 1
188 197 . . 583861824 . 6.863031793 . 109.771728 . A 221 GLN H A 221 GLN N 1 . . . 1
189 198 . . 732142208 . 9.838536742 . 109.6760435 . A 111 LYS H A 111 LYS N 1 . . . 1
190 200 . . 817427136 . 8.04652251 . 109.2680359 . A 6 GLY H A 6 GLY N 1 . . . 1
191 201 . . 637517888 . 7.825941024 . 109.2629719 . A 86 GLY H A 86 GLY N 1 . . . 1
192 202 . . 1064205888 . 7.380802814 . 109.1885831 . A 108 THR H A 108 THR N 1 . . . 1
193 204 . . 1295662464 . 6.702931644 . 109.0368966 . A 226 ARG H A 226 ARG N 1 . . . 1
194 205 . . 844766592 . 9.638693058 . 108.815611 . A 63 GLY H A 63 GLY N 1 . . . 1
195 206 . . 1090745984 . 8.312656313 . 108.7619908 . A 25 GLY H A 25 GLY N 1 . . . 1
196 207 . . 1150698112 . 7.090058843 . 108.5561714 . A 82 GLY H A 82 GLY N 1 . . . 1
197 208 . . 682885952 . 7.443714911 . 108.4351121 . A 12 GLY H A 12 GLY N 1 . . . 1
198 209 . . 1718461056 . 7.627378353 . 108.1734481 . A 37 THR H A 37 THR N 1 . . . 1
199 210 . . 1161259520 . 6.992301039 . 108.214723 . A 199 THR H A 199 THR N 1 . . . 1
200 211 . . 1588014464 . 7.400250758 . 108.0651728 . A 134 VAL H A 134 VAL N 1 . . . 1
201 212 . . 1093281024 . 6.458634652 . 108.0302278 . A 229 ASN H A 229 ASN N 1 . . . 1
202 213 . . 531383936 . 8.096323304 . 107.7346583 . . . . . . . . . 1 . . . 1
203 214 . . 1449442560 . 7.336058578 . 107.6170704 . A 105 SER H A 105 SER N 1 . . . 1
204 215 . . 1094290688 . 7.961177781 . 107.58723 . A 139 GLY H A 139 GLY N 1 . . . 1
205 216 . . 500645696 . 6.979340087 . 107.567396 . A 61 ASN HD21 A 61 ASN ND2 1 . . . 1
206 217 . . 516070336 . 6.824380284 . 107.5792096 . A 61 ASN HD22 A 61 ASN ND2 1 . . . 1
207 218 . . 721731392 . 6.462101581 . 107.4665283 . . . . . . . . . 1 . . . 1
208 219 . . 1033952768 . 7.828984362 . 107.3049237 . A 128 GLY H A 128 GLY N 1 . . . 1
209 220 . . 952310208 . 6.307009115 . 106.9535261 . A 31 VAL H A 31 VAL N 1 . . . 1
210 221 . . 646496576 . 6.746779822 . 106.5817795 . . . . . . . . . 1 . . . 1
211 222 . . 1387375232 . 8.98060661 . 106.4277089 . A 81 GLY H A 81 GLY N 1 . . . 1
212 223 . . 975644288 . 8.238483213 . 106.3266887 . A 104 GLY H A 104 GLY N 1 . . . 1
213 224 . . 193888640 . 6.738567744 . 106.0786192 . . . . . . . . . 1 . . . 1
214 225 . . 756215744 . 7.438738882 . 105.3564049 . A 67 ASN HD22 A 67 ASN ND2 1 . . . 1
215 226 . . 864487104 . 5.872888924 . 105.3874661 . A 67 ASN HD21 A 67 ASN ND2 1 . . . 1
216 227 . . 1012058511 . 8.694302949 . 104.6889683 . A 232 GLY H A 232 GLY N 1 . . . 1
217 228 . . 379840960 . 7.388323182 . 104.1828529 . . . . . . . . . 1 . . . 1
218 229 . . 1410189056 . 8.068495242 . 103.6572002 . A 131 GLY H A 131 GLY N 1 . . . 1
219 230 . . 686936192 . 7.656744376 . 102.7160727 . A 102 GLY H A 102 GLY N 1 . . . 1
220 231 . . 877367040 . 7.331736089 . 102.6450431 . A 182 GLY H A 182 GLY N 1 . . . 1
221 232 . . 1749047808 . 6.616148103 . 98.77178787 . A 168 THR H A 168 THR N 1 . . . 1
222 233 . . 1003213594 . 8.687696485 . 104.691325 . A 155 GLY H A 155 GLY N 1 . . . 1
223 234 . . 614974373.8 . 9.277660999 . 117.3108022 . A 219 SER H A 219 SER N 1 . . . 1
224 235 . . 617325468.5 . 7.630485908 . 107.8727571 . A 229 ASN H A 229 ASN N 1 . . . 1
225 236 . . 826073846.8 . 7.388067473 . 121.9929224 . A 16 TRP H A 16 TRP N 1 . . . 1
226 237 . . 686219242 . 7.391885908 . 122.2443618 . A 212 LYS H A 212 LYS N 1 . . . 1
227 238 . . 441021142.8 . 8.985970405 . 131.2953402 . A 255 ILE H A 255 ILE N 1 . . . 1
228 239 . . 1180101177 . 8.93916607 . 125.5061515 . A 47 LEU H A 47 LEU N 1 . . . 1
229 240 . . 1191357716 . 8.203261492 . 123.0171836 . A 151 SER H A 151 SER N 1 . . . 1
230 241 . . 963041533.5 . 8.218779066 . 123.4344724 . A 77 ALA H A 77 ALA N 1 . . . 1
231 242 . . 453202027.3 . 8.654669593 . 126.0125175 . A 239 LEU H A 239 LEU N 1 . . . 1
232 243 . . 355638349.9 . 8.607594543 . 125.4180889 . A 188 LEU H A 188 LEU N 1 . . . 1
233 244 . . 1389814221 . 8.427481467 . 123.5632533 . A 60 LEU H A 60 LEU N 1 . . . 1
234 245 . . 983396349.4 . 8.499117413 . 124.0310907 . A 69 GLU H A 69 GLU N 1 . . . 1
235 246 . . 985202244.7 . 8.530841903 . 124.2512494 . A 122 HIS H A 122 HIS N 1 . . . 1
236 247 . . 1356594570 . 8.998218009 . 123.6005138 . A 120 LEU H A 120 LEU N 1 . . . 1
237 248 . . 929928168.3 . 9.042753581 . 123.2896415 . A 79 LEU H A 79 LEU N 1 . . . 1
238 249 . . 1059864164 . 9.012799268 . 123.2025051 . A 173 ALA H A 173 ALA N 1 . . . 1
239 250 . . 1386936629 . 8.906304169 . 122.9074215 . A 91 ILE H A 91 ILE N 1 . . . 1
240 251 . . 1009383392 . 8.579794821 . 121.9987728 . A 240 MET H A 240 MET N 1 . . . 1
241 252 . . 1142006559 . 8.868262543 . 121.3627341 . A 52 ASP H A 52 ASP N 1 . . . 1
242 253 . . 1061088273 . 8.871578264 . 120.7861383 . A 67 ASN H A 67 ASN N 1 . . . 1
243 254 . . 1084848090 . 9.025206679 . 119.6864478 . A 124 ASN H A 124 ASN N 1 . . . 1
244 255 . . 935825025.6 . 9.067205811 . 119.1395734 . A 252 ASN H A 252 ASN N 1 . . . 1
245 256 . . 1147825520 . 8.654908107 . 119.6507671 . A 190 TYR H A 190 TYR N 1 . . . 1
246 257 . . 1232286940 . 8.251563426 . 118.818575 . A 178 PHE H A 178 PHE N 1 . . . 1
247 258 . . 1072093991 . 8.014173119 . 116.6786274 . A 20 PHE H A 20 PHE N 1 . . . 1
248 259 . . 1147213319 . 8.147155878 . 115.9058702 . A 157 GLN H A 157 GLN N 1 . . . 1
249 260 . . 941978006.1 . 8.165839406 . 116.2981931 . A 186 GLU H A 186 GLU N 1 . . . 1
250 261 . . 1403885950 . 7.911962959 . 114.9072324 . A 138 ASP H A 138 ASP N 1 . . . 1
251 262 . . 1028857759 . 7.675671431 . 115.3768343 . A 28 GLN H A 28 GLN N 1 . . . 1
252 264 . . 1103724381 . 7.517087946 . 116.5098652 . A 129 ASP H A 129 ASP N 1 . . . 1
253 265 . . 1516429385 . 7.279805999 . 117.284955 . A 183 LEU H A 183 LEU N 1 . . . 1
254 266 . . 1556696581 . 7.770528723 . 120.1798127 . A 171 LYS H A 171 LYS N 1 . . . 1
255 267 . . 2079900189 . 7.984461853 . 120.7385756 . A 22 ILE H A 22 ILE N 1 . . . 1
256 268 . . 1085807335 . 8.017544296 . 120.5364699 . A 247 ALA H A 247 ALA N 1 . . . 1
257 269 . . 739443403.9 . 8.342854978 . 121.0892853 . A 233 GLU H A 233 GLU N 1 . . . 1
258 270 . . 943655161.4 . 8.400033335 . 120.8320444 . A 61 ASN H A 61 ASN N 1 . . . 1
259 271 . . 797917867 . 8.347265971 . 121.2378925 . A 152 ALA H A 152 ALA N 1 . . . 1
260 272 . . 1094299761 . 8.760533624 . 115.3629802 . A 73 SER H A 73 SER N 1 . . . 1
261 273 . . 723263325.2 . 8.856473896 . 114.4097875 . A 17 HIS H A 17 HIS N 1 . . . 1
262 274 . . 1038131030 . 8.512509134 . 115.0940099 . A 43 SER H A 43 SER N 1 . . . 1
263 275 . . 1907003401 . 7.18151588 . 114.6294648 . A 242 ASP H A 242 ASP N 1 . . . 1
264 276 . . 757236531.3 . 6.886176839 . 112.7137116 . A 254 GLN H A 254 GLN N 1 . . . 1
265 277 . . 731697701 . 6.847636445 . 112.4921101 . A 177 ASN H A 177 ASN N 1 . . . 1
266 278 . . 764015964.5 . 6.825671221 . 111.7849017 . A 74 GLN H A 74 GLN N 1 . . . 1
267 279 . . 664507874.4 . 7.061198467 . 110.2577794 . A 136 GLN H A 136 GLN N 1 . . . 1
268 281 . . 816036109.1 . 6.603696754 . 110.1048913 . A 124 ASN H A 124 ASN N 1 . . . 1
269 282 . . 584148277.7 . 7.55831846 . 112.0465703 . A 53 GLN H A 53 GLN N 1 . . . 1
270 283 . . 462513860.8 . 7.564921573 . 111.7866606 . A 74 GLN H A 74 GLN N 1 . . . 1
271 284 . . 1052278406 . 7.192003549 . 114.3950432 . A 24 LYS H A 24 LYS N 1 . . . 1
272 285 . . 1083156133 . 8.846929447 . 116.0139707 . A 103 GLN H A 103 GLN N 1 . . . 1
273 286 . . 966451563.7 . 8.863557302 . 115.8328633 . A 140 LEU H A 140 LEU N 1 . . . 1
274 287 . . 1140430874 . 7.612921065 . 120.7979599 . A 5 TRP H A 5 TRP N 1 . . . 1
275 288 . . 641551027.4 . 8.327223385 . 119.0647578 . A 243 ASN H A 243 ASN N 1 . . . 1
276 289 . . 712125376 . 9.87100782 . 130.3760307 . A 16 TRP HE1 A 16 TRP NE1 1 . . . 1
stop_
loop_
_nef_peak.index
_nef_peak.peak_id
_nef_peak.volume
_nef_peak.volume_uncertainty
_nef_peak.height
_nef_peak.height_uncertainty
_nef_peak.position_1
_nef_peak.position_uncertainty_1
_nef_peak.position_2
_nef_peak.position_uncertainty_2
_nef_peak.chain_code_1
_nef_peak.sequence_code_1
_nef_peak.residue_name_1
_nef_peak.atom_name_1
_nef_peak.chain_code_2
_nef_peak.sequence_code_2
_nef_peak.residue_name_2
_nef_peak.atom_name_2
_nef_peak.ccpn_figure_of_merit
_nef_peak.ccpn_linked_integral
_nef_peak.ccpn_annotation
_nef_peak.ccpn_comment
_nef_peak.ccpn_peak_list_serial
1 1 . . 703509440 . 12.19526037 . 133.3275896 . . . . . . . . . 1 . . . 2
2 2 . . 457715373.7 . 9.676028572 . 132.0194804 . A 110 ASP H A 110 ASP N 1 . . . 2
3 3 . . 870655877.4 . 8.996087804 . 131.5275074 . A 72 ASP H A 72 ASP N 1 . . . 2
4 4 . . 997672832 . 10.21663261 . 130.536354 . . . . . . . . . 1 . . . 2
5 6 . . 345420923.1 . 9.838566306 . 130.3842833 . A 118 LEU H A 118 LEU N 1 . . . 2
6 7 . . 477157503.8 . 8.996812272 . 129.6473471 . A 238 GLU H A 238 GLU N 1 . . . 2
7 8 . . 363320710.6 . 9.618175615 . 129.2093871 . . . . . . . . . 1 . . . 2
8 9 . . 454750675.7 . 8.178373014 . 129.6706119 . A 208 TRP H A 208 TRP N 1 . . . 2
9 11 . . 337262665.8 . 10.06630127 . 129.3954821 . A 146 PHE H A 146 PHE N 1 . . . 2
10 12 . . 488733625.2 . 7.703121005 . 128.6776 . A 41 ASP H A 41 ASP N 1 . . . 2
11 13 . . 585568104.5 . 9.680173513 . 128.3403989 . A 210 VAL H A 210 VAL N 1 . . . 2
12 14 . . 620227052.2 . 7.358128896 . 128.3032619 . A 34 ASP H A 34 ASP N 1 . . . 2
13 16 . . 465995600.2 . 8.735124253 . 128.2716682 . A 33 ILE H A 33 ILE N 1 . . . 2
14 17 . . 634414221.4 . 8.51504308 . 127.9675184 . A 143 LEU H A 143 LEU N 1 . . . 2
15 18 . . 244974746.1 . 7.932125378 . 128.0260088 . A 179 ASP H A 179 ASP N 1 . . . 2
16 19 . . 737651637.1 . 7.486013902 . 127.2738321 . A 38 ALA H A 38 ALA N 1 . . . 2
17 20 . . 469488394.7 . 8.346512689 . 127.023951 . A 49 VAL H A 49 VAL N 1 . . . 2
18 21 . . 450697415.2 . 8.770813092 . 127.2656345 . A 209 ILE H A 209 ILE N 1 . . . 2
19 22 . . 582500992 . 10.83394203 . 126.8481972 . . . . . . . . . 1 . . . 2
20 23 . . 286521629.1 . 10.49879598 . 126.655654 . A 245 ARG H A 245 ARG N 1 . . . 2
21 24 . . 510106472.5 . 9.029557175 . 126.6807311 . A 211 LEU H A 211 LEU N 1 . . . 2
22 25 . . 225231211.8 . 8.661771584 . 126.7532307 . A 40 TYR H A 40 TYR N 1 . . . 2
23 26 . . 450891519.7 . 9.205027299 . 126.130922 . A 121 VAL H A 121 VAL N 1 . . . 2
24 27 . . 588540345.7 . 8.761393019 . 126.3866649 . A 256 LYS H A 256 LYS N 1 . . . 2
25 28 . . 442828549.9 . 9.917733643 . 126.2327622 . A 56 SER H A 56 SER N 1 . . . 2
26 29 . . 525266134.1 . 8.528407405 . 126.4435458 . A 88 TYR H A 88 TYR N 1 . . . 2
27 30 . . 724503773 . 8.653486724 . 125.7053153 . A 250 LEU H A 250 LEU N 1 . . . 2
28 32 . . 557128872.9 . 8.146025153 . 125.6235975 . A 193 TYR H A 193 TYR N 1 . . . 2
29 34 . . 567749269.2 . 8.937262463 . 125.2518273 . A 119 HIS H A 119 HIS N 1 . . . 2
30 36 . . 597968882.4 . 7.976736426 . 125.1950767 . A 175 PHE H A 175 PHE N 1 . . . 2
31 37 . . 500581384.4 . 8.460837693 . 124.9150141 . A 207 THR H A 207 THR N 1 . . . 2
32 38 . . 657307357.6 . 8.665604107 . 124.4838473 . A 204 GLU H A 204 GLU N 1 . . . 2
33 40 . . 609319683 . 8.888839658 . 124.4620986 . A 85 ASP H A 85 ASP N 1 . . . 2
34 41 . . 1066849686 . 8.273623444 . 124.3810005 . A 112 LYS H A 112 LYS N 1 . . . 2
35 42 . . 1045068874 . 7.954234128 . 124.200476 . A 133 ALA H A 133 ALA N 1 . . . 2
36 43 . . 447623923.8 . 9.249638348 . 124.1925587 . A 145 ILE H A 145 ILE N 1 . . . 2
37 45 . . 595450743.8 . 7.682480066 . 124.109076 . A 260 LYS H A 260 LYS N 1 . . . 2
38 47 . . 616964175.8 . 7.102954241 . 125.0558744 . A 142 VAL H A 142 VAL N 1 . . . 2
39 48 . . 1201811196 . 7.968283138 . 124.0645425 . A 76 LYS H A 76 LYS N 1 . . . 2
40 49 . . 902215925.1 . 8.684565065 . 123.8147049 . A 153 LYS H A 153 LYS N 1 . . . 2
41 50 . . 1394252436 . 8.446925509 . 123.7393803 . A 257 ALA H A 257 ALA N 1 . . . 2
42 51 . . 827742840 . 9.051823735 . 123.8628339 . A 51 TYR H A 51 TYR N 1 . . . 2
43 52 . . 1515628190 . 8.415881163 . 121.6296224 . A 65 ALA H A 65 ALA N 1 . . . 2
44 53 . . 1822242560 . 8.21024087 . 123.2041949 . A 237 GLU H A 237 GLU N 1 . . . 2
45 54 . . 672049466.4 . 8.085621557 . 123.4220883 . A 62 ASN H A 62 ASN N 1 . . . 2
46 55 . . 532493372.5 . 8.660772506 . 123.0192364 . A 23 ALA H A 23 ALA N 1 . . . 2
47 57 . . 612662315.5 . 7.051078132 . 122.998291 . A 44 LEU H A 44 LEU N 1 . . . 2
48 58 . . 595511919.5 . 8.980961093 . 123.0777506 . A 141 ALA H A 141 ALA N 1 . . . 2
49 59 . . 480973889.8 . 7.467219124 . 122.6144822 . A 45 LYS H A 45 LYS N 1 . . . 2
50 60 . . 832476834.6 . 8.405002493 . 122.6215021 . A 50 SER H A 50 SER N 1 . . . 2
51 61 . . 710217228.5 . 7.949968808 . 123.0075383 . A 126 LYS H A 126 LYS N 1 . . . 2
52 62 . . 545975307.8 . 8.592368898 . 122.6565963 . A 89 ARG H A 89 ARG N 1 . . . 2
53 63 . . 645011238.1 . 8.1878944 . 122.5045215 . A 39 LYS H A 39 LYS N 1 . . . 2
54 64 . . 937276096 . 10.29274306 . 122.2026712 . A 35 THR H A 35 THR N 1 . . . 2
55 65 . . 483659490.1 . 9.018531479 . 122.1258202 . A 59 ILE H A 59 ILE N 1 . . . 2
56 66 . . 433267580.1 . 7.810187522 . 122.0833911 . A 157 GLN H A 157 GLN N 1 . . . 2
57 67 . . 914432108.8 . 8.588188796 . 121.9260878 . A 174 ASP H A 174 ASP N 1 . . . 2
58 68 . . 534209846.6 . 8.744862885 . 121.8450972 . A 248 GLN H A 248 GLN N 1 . . . 2
59 69 . . 664577675.5 . 8.69201008 . 121.8554137 . A 68 VAL H A 68 VAL N 1 . . . 2
60 70 . . 413326748.6 . 7.885996148 . 121.7852653 . A 113 LYS H A 113 LYS N 1 . . . 2
61 71 . . 1026670377 . 7.372971046 . 121.7667449 . A 189 ASP H A 189 ASP N 1 . . . 2
62 72 . . 560942816.4 . 7.081538834 . 121.4556743 . A 163 LEU H A 163 LEU N 1 . . . 2
63 73 . . 509932526.8 . 8.859073497 . 121.5743107 . A 213 GLU H A 213 GLU N 1 . . . 2
64 74 . . 1642419714 . 8.424571985 . 121.5134942 . A 149 VAL H A 149 VAL N 1 . . . 2
65 75 . . 430427827.7 . 9.453934788 . 121.4759763 . A 117 GLU H A 117 GLU N 1 . . . 2
66 76 . . 605434903.6 . 8.158154691 . 121.0808731 . A 114 TYR H A 114 TYR N 1 . . . 2
67 77 . . 565235406.9 . 7.59948909 . 120.1305942 . A 115 ALA H A 115 ALA N 1 . . . 2
68 78 . . 514917851.2 . 8.847268934 . 121.4257299 . A 27 ARG H A 27 ARG N 1 . . . 2
69 79 . . 1657410273 . 8.40417356 . 120.9324383 . A 80 LYS H A 80 LYS N 1 . . . 2
70 80 . . 1996176072 . 7.954687654 . 120.6375228 . A 223 LEU H A 223 LEU N 1 . . . 2
71 81 . . 596012525.6 . 8.733628354 . 120.6591522 . A 196 SER H A 196 SER N 1 . . . 2
72 82 . . 827552128 . 7.483776838 . 120.5168883 . A 169 LYS H A 169 LYS N 1 . . . 2
73 83 . . 426976177.1 . 9.417385631 . 120.6000764 . A 55 THR H A 55 THR N 1 . . . 2
74 84 . . 376608049.3 . 9.174534216 . 120.403016 . A 202 LEU H A 202 LEU N 1 . . . 2
75 86 . . 442436820.2 . 8.255487552 . 120.3334405 . A 147 LEU H A 147 LEU N 1 . . . 2
76 87 . . 1478731061 . 7.44024825 . 120.2303422 . A 54 ALA H A 54 ALA N 1 . . . 2
77 88 . . 1608519709 . 7.81243315 . 120.1144255 . A 84 LEU H A 84 LEU N 1 . . . 2
78 89 . . 738401032.7 . 7.465178599 . 119.9804968 . A 130 PHE H A 130 PHE N 1 . . . 2
79 90 . . 896408044.2 . 7.333590758 . 119.8792226 . A 235 GLU H A 235 GLU N 1 . . . 2
80 91 . . 444726099.4 . 6.933432256 . 119.7051762 . A 18 LYS H A 18 LYS N 1 . . . 2
81 92 . . 670700439.8 . 8.646246425 . 119.6810679 . A 7 TYR H A 7 TYR N 1 . . . 2
82 93 . . 706072436.8 . 8.934277751 . 119.746072 . A 148 LYS H A 148 LYS N 1 . . . 2
83 94 . . 913343448.7 . 8.452545523 . 119.3213529 . A 48 SER H A 48 SER N 1 . . . 2
84 95 . . 453316776.3 . 7.620212308 . 119.1197119 . A 132 LYS H A 132 LYS N 1 . . . 2
85 97 . . 667947524.9 . 7.11485052 . 119.2489516 . A 228 LEU H A 228 LEU N 1 . . . 2
86 99 . . 485240661.7 . 9.087737063 . 118.9010185 . A 123 TRP H A 123 TRP N 1 . . . 2
87 100 . . 624889060.1 . 9.625738671 . 119.3102293 . A 97 TRP H A 97 TRP N 1 . . . 2
88 104 . . 627401715.9 . 7.385490882 . 118.9564999 . A 100 LEU H A 100 LEU N 1 . . . 2
89 106 . . 495951878.7 . 8.248484433 . 118.8607104 . A 106 GLU H A 106 GLU N 1 . . . 2
90 107 . . 464012549.5 . 8.617915475 . 119.1331761 . A 70 PHE H A 70 PHE N 1 . . . 2
91 108 . . 868445277.5 . 7.12079866 . 118.4885773 . A 225 PHE H A 225 PHE N 1 . . . 2
92 109 . . 611795025.9 . 7.650183104 . 118.3832947 . A 109 VAL H A 109 VAL N 1 . . . 2
93 110 . . 617546352 . 7.317087274 . 118.3715966 . A 253 ARG H A 253 ARG N 1 . . . 2
94 111 . . 564795474.4 . 8.875254938 . 118.4459897 . A 229 ASN H A 229 ASN N 1 . . . 2
95 112 . . 1091754106 . 8.332245062 . 118.2138321 . A 181 ARG H A 181 ARG N 1 . . . 2
96 113 . . 404998069.3 . 8.145732974 . 118.4088458 . A 29 SER H A 29 SER N 1 . . . 2
97 114 . . 330733115.1 . 8.512924649 . 118.0433518 . A 254 GLN H A 254 GLN N 1 . . . 2
98 115 . . 402970750.7 . 7.967152875 . 116.9016364 . A 197 LEU H A 197 LEU N 1 . . . 2
99 116 . . 588927691.7 . 7.529491297 . 118.2043742 . A 136 GLN H A 136 GLN N 1 . . . 2
100 118 . . 685854735.4 . 6.698480733 . 117.9504662 . A 259 PHE H A 259 PHE N 1 . . . 2
101 119 . . 673476685.8 . 9.108985276 . 117.8423801 . A 150 GLY H A 150 GLY N 1 . . . 2
102 120 . . 546899507.3 . 7.534998834 . 117.7386179 . A 221 GLN H A 221 GLN N 1 . . . 2
103 121 . . 269427056.6 . 10.70413776 . 117.7263331 . A 107 HIS H A 107 HIS N 1 . . . 2
104 122 . . 494557436.7 . 8.909597858 . 117.6499174 . A 57 LEU H A 57 LEU N 1 . . . 2
105 123 . . 555603808 . 7.688846013 . 117.5410339 . A 74 GLN H A 74 GLN N 1 . . . 2
106 124 . . 1097353995 . 9.319161405 . 117.7670978 . A 26 GLU H A 26 GLU N 1 . . . 2
107 125 . . 731595098.6 . 8.372380574 . 117.6752266 . A 161 ASP H A 161 ASP N 1 . . . 2
108 126 . . 512286528.2 . 8.831687745 . 117.4084735 . A 230 PHE H A 230 PHE N 1 . . . 2
109 127 . . 1516949061 . 7.31399119 . 117.243345 . A 167 LYS H A 167 LYS N 1 . . . 2
110 128 . . 509548137.9 . 8.117402024 . 117.0158992 . A 125 THR H A 125 THR N 1 . . . 2
111 129 . . 981296671.5 . 9.574146869 . 117.1761119 . A 191 TRP H A 191 TRP N 1 . . . 2
112 130 . . 462876621.4 . 8.395989699 . 116.8858909 . A 87 THR H A 87 THR N 1 . . . 2
113 132 . . 833156310.7 . 8.778457525 . 116.6537334 . A 95 PHE H A 95 PHE N 1 . . . 2
114 133 . . 400099374.8 . 8.280304987 . 116.8023142 . A 64 HIS H A 64 HIS N 1 . . . 2
115 134 . . 1073187068 . 7.505435721 . 116.5746729 . A 156 LEU H A 156 LEU N 1 . . . 2
116 135 . . 1606407808 . 8.074966873 . 116.6249804 . A 216 SER H A 216 SER N 1 . . . 2
117 136 . . 692451489.9 . 8.82095395 . 116.4958662 . A 170 GLY H A 170 GLY N 1 . . . 2
118 137 . . 358523974.9 . 8.455170538 . 116.5203006 . A 218 SER H A 218 SER N 1 . . . 2
119 138 . . 1398573308 . 7.411654272 . 116.0809333 . A 166 ILE H A 166 ILE N 1 . . . 2
120 139 . . 477310686.5 . 8.9059468 . 116.2079909 . A 258 SER H A 258 SER N 1 . . . 2
121 140 . . 293192741.5 . 6.926468242 . 116.1947027 . A 231 ASN H A 231 ASN N 1 . . . 2
122 141 . . 1136481194 . 7.395418633 . 116.0425957 . A 103 GLN H A 103 GLN N 1 . . . 2
123 142 . . 455208859.2 . 6.746910417 . 115.9192354 . A 157 GLN H A 157 GLN N 1 . . . 2
124 143 . . 628913659.5 . 8.807284358 . 115.6194882 . A 158 LYS H A 158 LYS N 1 . . . 2
125 144 . . 1958696814 . 8.420942408 . 115.9629133 . A 78 VAL H A 78 VAL N 1 . . . 2
126 145 . . 1091926435 . 8.183423903 . 115.8999259 . A 164 ASP H A 164 ASP N 1 . . . 2
127 146 . . 662367181.2 . 8.530561712 . 115.6600991 . A 217 VAL H A 217 VAL N 1 . . . 2
128 147 . . 617059648 . 9.667244716 . 115.5478734 . A 177 ASN H A 177 ASN N 1 . . . 2
129 148 . . 2081853952 . 8.723484123 . 115.5131573 . A 15 HIS H A 15 HIS N 1 . . . 2
130 149 . . 776235726.1 . 7.563464511 . 115.2703031 . A 127 TYR H A 127 TYR N 1 . . . 2
131 150 . . 1099621886 . 7.375995027 . 115.3338225 . A 92 GLN H A 92 GLN N 1 . . . 2
132 151 . . 316230588.1 . 8.823314863 . 115.1122072 . A 96 HIS H A 96 HIS N 1 . . . 2
133 152 . . 1075852597 . 8.496680608 . 115.1695102 . A 71 ASP H A 71 ASP N 1 . . . 2
134 153 . . 589841783.1 . 9.656342286 . 114.9634904 . A 192 THR H A 192 THR N 1 . . . 2
135 154 . . 524452312.3 . 6.916849073 . 114.971628 . A 224 LYS H A 224 LYS N 1 . . . 2
136 155 . . 483430930.4 . 6.732481664 . 114.9606093 . A 241 VAL H A 241 VAL N 1 . . . 2
137 156 . . 509144113.1 . 8.053657626 . 114.759327 . A 176 THR H A 176 THR N 1 . . . 2
138 157 . . 869806311.9 . 7.86006247 . 114.8707639 . A 103 GLN H A 103 GLN N 1 . . . 2
139 158 . . 1155086237 . 7.142046218 . 114.6015324 . A 58 ARG H A 58 ARG N 1 . . . 2
140 159 . . 438436078.8 . 7.540171297 . 114.2994795 . A 205 CYS H A 205 CYS N 1 . . . 2
141 160 . . 1063624954 . 7.198721068 . 114.5219173 . A 19 ASP H A 19 ASP N 1 . . . 2
142 161 . . 429319936.1 . 8.848071211 . 114.4915877 . A 251 LYS H A 251 LYS N 1 . . . 2
143 162 . . 1154540882 . 7.324215379 . 114.3945332 . A 222 VAL H A 222 VAL N 1 . . . 2
144 163 . . 253832408.4 . 8.001717551 . 114.0999996 . A 53 GLN H A 53 GLN N 1 . . . 2
145 164 . . 522839942.1 . 9.958420185 . 113.9775546 . A 144 GLY H A 144 GLY N 1 . . . 2
146 165 . . 513567933.9 . 6.455943828 . 114.0172251 . A 244 TRP H A 244 TRP N 1 . . . 2
147 166 . . 534689536.3 . 6.875269902 . 113.7735396 . A 227 LYS H A 227 LYS N 1 . . . 2
148 167 . . 685858576.7 . 6.54009828 . 113.3628992 . A 135 GLN H A 135 GLN N 1 . . . 2
149 168 . . 1075158653 . 7.310046666 . 114.3069566 . A 160 VAL H A 160 VAL N 1 . . . 2
150 169 . . 966037076 . 8.638910308 . 113.5404548 . A 93 PHE H A 93 PHE N 1 . . . 2
151 170 . . 766728486.9 . 8.277942624 . 113.4685308 . A 172 SER H A 172 SER N 1 . . . 2
152 171 . . 353220999.2 . 6.943684242 . 113.5904209 . A 252 ASN H A 252 ASN N 1 . . . 2
153 172 . . 712913309.2 . 7.999356638 . 113.3013776 . A 165 SER H A 165 SER N 1 . . . 2
154 174 . . 620479240.3 . 8.181553266 . 113.3916133 . . . . . . . . . 1 . . . 2
155 175 . . 578072921.3 . 8.919705302 . 113.1152968 . A 215 ILE H A 215 ILE N 1 . . . 2
156 176 . . 804789864.9 . 7.142451338 . 113.9009237 . A 162 VAL H A 162 VAL N 1 . . . 2
157 177 . . 736485715.6 . 6.634686777 . 113.0323385 . A 184 LEU H A 184 LEU N 1 . . . 2
158 178 . . 514252880.9 . 7.626196603 . 112.7568836 . A 254 GLN H A 254 GLN N 1 . . . 2
159 179 . . 642113572 . 7.034768823 . 113.1525379 . A 159 VAL H A 159 VAL N 1 . . . 2
160 180 . . 900823424 . 7.552624329 . 112.2620784 . A 177 ASN H A 177 ASN N 1 . . . 2
161 181 . . 1360240665 . 6.814576374 . 112.2599715 . A 53 GLN H A 53 GLN N 1 . . . 2
162 182 . . 587676138.4 . 8.178798622 . 112.1761618 . A 116 ALA H A 116 ALA N 1 . . . 2
163 183 . . 372074129.6 . 8.445545334 . 111.8626172 . A 99 SER H A 99 SER N 1 . . . 2
164 184 . . 1109326408 . 6.787038498 . 111.6387066 . . . . . . . . . 1 . . . 2
165 185 . . 930160846.1 . 7.416628401 . 111.6297085 . A 135 GLN H A 135 GLN N 1 . . . 2
166 186 . . 1920863232 . 7.635923253 . 111.2906098 . A 187 SER H A 187 SER N 1 . . . 2
167 189 . . 538701727.4 . 5.770565576 . 110.218876 . A 203 LEU H A 203 LEU N 1 . . . 2
168 190 . . 397629150.8 . 9.355884102 . 110.800131 . A 195 GLY H A 195 GLY N 1 . . . 2
169 191 . . 408671226.4 . 8.287386274 . 110.4969141 . A 8 GLY H A 8 GLY N 1 . . . 2
170 192 . . 520432042.3 . 8.153692933 . 110.5136229 . A 231 ASN H A 231 ASN N 1 . . . 2
171 193 . . 645666284.3 . 7.075541822 . 110.0356355 . A 124 ASN H A 124 ASN N 1 . . . 2
172 194 . . 412490618 . 6.583433236 . 110.155986 . A 136 GLN H A 136 GLN N 1 . . . 2
173 195 . . 678355317.4 . 7.099817117 . 109.9459031 . A 66 PHE H A 66 PHE N 1 . . . 2
174 196 . . 574569903.6 . 7.449655771 . 109.7893301 . A 221 GLN H A 221 GLN N 1 . . . 2
175 197 . . 386269570.6 . 6.848610783 . 109.7949345 . . . . . A 221 GLN N 1 . . . 2
176 197 . . 386269570.6 . 6.848610783 . 109.7949345 . . . . . A 221 GLN ND1 1 . . . 2
177 198 . . 350769633.9 . 9.859353226 . 109.6452461 . A 111 LYS H A 111 LYS N 1 . . . 2
178 200 . . 258863046.9 . 8.001623718 . 108.9935961 . A 6 GLY H A 6 GLY N 1 . . . 2
179 201 . . 368651394.9 . 7.825688523 . 109.3345891 . A 86 GLY H A 86 GLY N 1 . . . 2
180 202 . . 1772355710 . 7.385451864 . 109.0518536 . A 108 THR H A 108 THR N 1 . . . 2
181 204 . . 615978299.3 . 6.680324945 . 108.9725395 . A 226 ARG H A 226 ARG N 1 . . . 2
182 205 . . 367666042.6 . 9.578367876 . 109.0448826 . A 63 GLY H A 63 GLY N 1 . . . 2
183 206 . . 477592643.9 . 8.287199685 . 108.6626323 . A 25 GLY H A 25 GLY N 1 . . . 2
184 207 . . 1085860483 . 7.079395073 . 108.5420648 . A 82 GLY H A 82 GLY N 1 . . . 2
185 208 . . 629995732.5 . 7.448848831 . 108.4924397 . A 12 GLY H A 12 GLY N 1 . . . 2
186 209 . . 1498369188 . 7.629696965 . 108.2756695 . A 37 THR H A 37 THR N 1 . . . 2
187 210 . . 1119419431 . 6.964914487 . 107.5008608 . A 199 THR H A 199 THR N 1 . . . 2
188 212 . . 561300628.1 . 6.4431949 . 108.0197649 . A 229 ASN H A 229 ASN N 1 . . . 2
189 213 . . 316207762.9 . 8.027121572 . 107.5895071 . . . . . . . . . 1 . . . 2
190 214 . . 1123043033 . 7.302330816 . 107.6123924 . A 105 SER H A 105 SER N 1 . . . 2
191 215 . . 897644509.8 . 7.880696414 . 107.457193 . A 139 GLY H A 139 GLY N 1 . . . 2
192 216 . . 934115557.3 . 6.98066737 . 107.5001341 . A 61 ASN HD21 A 61 ASN ND2 1 . . . 2
193 217 . . 385252300 . 6.823113065 . 107.4781877 . A 61 ASN HD22 A 61 ASN ND2 1 . . . 2
194 219 . . 920123662 . 7.866053448 . 107.4615686 . A 128 GLY H A 128 GLY N 1 . . . 2
195 220 . . 420824095.5 . 6.325904771 . 106.81626 . A 31 VAL H A 31 VAL N 1 . . . 2
196 222 . . 681787042.1 . 8.965442607 . 106.3759731 . A 81 GLY H A 81 GLY N 1 . . . 2
197 223 . . 388725978.6 . 8.243606751 . 106.4164676 . A 104 GLY H A 104 GLY N 1 . . . 2
198 225 . . 307044768 . 7.228236396 . 106.0023373 . A 67 ASN HD22 A 67 ASN ND2 1 . . . 2
199 226 . . 352494880 . 5.824960634 . 106.0804622 . A 67 ASN HD21 A 67 ASN ND2 1 . . . 2
200 227 . . 453721915.2 . 8.674652952 . 104.6677593 . A 232 GLY H A 232 GLY N 1 . . . 2
201 229 . . 590657306.3 . 8.100732944 . 103.347997 . A 131 GLY H A 131 GLY N 1 . . . 2
202 230 . . 310277189.5 . 7.635189532 . 102.6473843 . A 102 GLY H A 102 GLY N 1 . . . 2
203 231 . . 426064063 . 7.307285042 . 102.5359231 . A 182 GLY H A 182 GLY N 1 . . . 2
204 232 . . 1749047808 . 6.616148103 . 98.77178787 . A 168 THR H A 168 THR N 1 . . . 2
205 233 . . 454530858 . 8.669232263 . 104.6654027 . A 155 GLY H A 155 GLY N 1 . . . 2
206 234 . . 318835027.3 . 9.275539296 . 117.3341831 . A 219 SER H A 219 SER N 1 . . . 2
207 235 . . 1536320879 . 7.634940863 . 108.0964205 . A 229 ASN H A 229 ASN N 1 . . . 2
208 236 . . 1019907154 . 7.359616515 . 121.7707838 . A 16 TRP H A 16 TRP N 1 . . . 2
209 237 . . 483020168.8 . 7.459714664 . 122.6254719 . A 212 LYS H A 212 LYS N 1 . . . 2
210 238 . . 812872483.7 . 8.996087804 . 131.4122627 . A 255 ILE H A 255 ILE N 1 . . . 2
211 239 . . 580092092.4 . 8.940805595 . 125.3540275 . A 47 LEU H A 47 LEU N 1 . . . 2
212 240 . . 1633934826 . 8.19984293 . 123.0678704 . A 151 SER H A 151 SER N 1 . . . 2
213 241 . . 1742141418 . 8.194436529 . 123.2307447 . A 77 ALA H A 77 ALA N 1 . . . 2
214 242 . . 449820363.3 . 8.825664912 . 126.2665829 . A 239 LEU H A 239 LEU N 1 . . . 2
215 243 . . 333861042.2 . 8.612989384 . 125.3653189 . A 188 LEU H A 188 LEU N 1 . . . 2
216 244 . . 1389814221 . 8.427481467 . 123.5632533 . A 60 LEU H A 60 LEU N 1 . . . 2
217 245 . . 1017756130 . 8.474548353 . 123.9248745 . A 69 GLU H A 69 GLU N 1 . . . 2
218 247 . . 740557865.6 . 9.042375382 . 123.7141791 . A 120 LEU H A 120 LEU N 1 . . . 2
219 248 . . 570430147 . 9.005817488 . 123.135071 . A 79 LEU H A 79 LEU N 1 . . . 2
220 249 . . 515790138.6 . 8.977817865 . 123.2159537 . A 173 ALA H A 173 ALA N 1 . . . 2
221 250 . . 1337067582 . 8.896107295 . 122.8875822 . A 91 ILE H A 91 ILE N 1 . . . 2
222 251 . . 1009383392 . 8.579794821 . 121.9987728 . A 240 MET H A 240 MET N 1 . . . 2
223 252 . . 422876009.8 . 8.843877855 . 121.3339899 . A 52 ASP H A 52 ASP N 1 . . . 2
224 253 . . 630302698.8 . 8.817014141 . 120.7079518 . A 67 ASN H A 67 ASN N 1 . . . 2
225 254 . . 715115169.4 . 8.990939651 . 119.653209 . A 124 ASN H A 124 ASN N 1 . . . 2
226 255 . . 492691583.6 . 9.080654326 . 119.0217404 . A 252 ASN H A 252 ASN N 1 . . . 2
227 256 . . 467955751 . 8.686381937 . 118.5945705 . A 190 TYR H A 190 TYR N 1 . . . 2
228 257 . . 523710723.9 . 8.250670463 . 118.7489308 . A 178 PHE H A 178 PHE N 1 . . . 2
229 258 . . 1072093991 . 8.014173119 . 116.6786274 . A 20 PHE H A 20 PHE N 1 . . . 2
230 259 . . 1147213319 . 8.147155878 . 115.9058702 . A 157 GLN H A 157 GLN N 1 . . . 2
231 260 . . 1188875100 . 8.169159145 . 116.1814522 . A 186 GLU H A 186 GLU N 1 . . . 2
232 261 . . 874918173.8 . 7.876588857 . 114.9450543 . A 138 ASP H A 138 ASP N 1 . . . 2
233 262 . . 702186752.7 . 7.612042954 . 115.3419566 . A 28 GLN H A 28 GLN N 1 . . . 2
234 263 . . 1328862973 . 7.429488597 . 116.1555371 . A 231 ASN H A 231 ASN N 1 . . . 2
235 264 . . 1015687695 . 7.50033615 . 116.434264 . A 129 ASP H A 129 ASP N 1 . . . 2
236 265 . . 1516429385 . 7.279805999 . 117.284955 . A 183 LEU H A 183 LEU N 1 . . . 2
237 266 . . 1556696581 . 7.770528723 . 120.1798127 . A 171 LYS H A 171 LYS N 1 . . . 2
238 267 . . 2079900189 . 7.984461853 . 120.7385756 . A 22 ILE H A 22 ILE N 1 . . . 2
239 268 . . 2113155842 . 7.996617699 . 120.6199336 . A 247 ALA H A 247 ALA N 1 . . . 2
240 269 . . 739443403.9 . 8.342854978 . 121.0892853 . A 233 GLU H A 233 GLU N 1 . . . 2
241 270 . . 1028503770 . 8.384979793 . 120.942216 . A 61 ASN H A 61 ASN N 1 . . . 2
242 271 . . 797917867 . 8.347265971 . 121.2378925 . A 152 ALA H A 152 ALA N 1 . . . 2
243 272 . . 1094299761 . 8.760533624 . 115.3629802 . A 73 SER H A 73 SER N 1 . . . 2
244 273 . . 412178877.7 . 8.848071211 . 114.3886368 . A 17 HIS H A 17 HIS N 1 . . . 2
245 274 . . 1038131030 . 8.512509134 . 115.0940099 . A 43 SER H A 43 SER N 1 . . . 2
246 275 . . 1166898723 . 7.172407744 . 114.5617248 . A 242 ASP H A 242 ASP N 1 . . . 2
247 276 . . 720116867.2 . 6.897157708 . 112.7199136 . A 254 GLN H A 254 GLN N 1 . . . 2
248 277 . . 731697701 . 6.847636445 . 112.4921101 . A 177 ASN H A 177 ASN N 1 . . . 2
249 278 . . 974234895.6 . 6.824490009 . 111.7987294 . A 74 GLN H A 74 GLN N 1 . . . 2
250 279 . . 522300345.1 . 7.057693324 . 110.1660152 . A 136 GLN H A 136 GLN N 1 . . . 2
251 281 . . 364679473 . 6.585983021 . 110.0356355 . A 124 ASN H A 124 ASN N 1 . . . 2
252 282 . . 584148277.7 . 7.55831846 . 112.0465703 . A 53 GLN H A 53 GLN N 1 . . . 2
253 283 . . 506612846.1 . 7.577264745 . 111.7986187 . A 74 GLN H A 74 GLN N 1 . . . 2
254 284 . . 1052278406 . 7.192003549 . 114.3950432 . A 24 LYS H A 24 LYS N 1 . . . 2
255 285 . . 578939297.4 . 8.775914705 . 115.7131498 . A 103 GLN H A 103 GLN N 1 . . . 2
256 286 . . 696382642.3 . 8.818841598 . 115.720955 . A 140 LEU H A 140 LEU N 1 . . . 2
257 287 . . 480789597.5 . 7.615402723 . 120.7614968 . A 5 TRP H A 5 TRP N 1 . . . 2
258 288 . . 935047987.8 . 8.431404022 . 119.2306426 . A 243 ASN H A 243 ASN N 1 . . . 2
259 289 . . 387672395.8 . 8.859146883 . 112.2839573 . A 198 THR H A 198 THR N 1 . . . 2
stop_
;
loop_
_Chem_shift_perturbation_experiment.Experiment_ID
_Chem_shift_perturbation_experiment.Experiment_name
_Chem_shift_perturbation_experiment.Sample_ID
_Chem_shift_perturbation_experiment.Sample_label
_Chem_shift_perturbation_experiment.Sample_state
_Chem_shift_perturbation_experiment.Entry_ID
_Chem_shift_perturbation_experiment.Chem_shift_perturbation_list_ID
1 '2D 1H-15N HSQC' . . . 52196 1
stop_
loop_
_Chem_shift_perturbation_software.Software_ID
_Chem_shift_perturbation_software.Software_label
_Chem_shift_perturbation_software.Method_ID
_Chem_shift_perturbation_software.Method_label
_Chem_shift_perturbation_software.Entry_ID
_Chem_shift_perturbation_software.Chem_shift_perturbation_list_ID
1 $software_1 . . 52196 1
stop_
save_