NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601659 |
2n1l   |
25565 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n1l
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1275
_Distance_constraint_stats_list.Viol_count 200
_Distance_constraint_stats_list.Viol_total 22.084
_Distance_constraint_stats_list.Viol_max 1.463
_Distance_constraint_stats_list.Viol_rms 0.0815
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0173
_Distance_constraint_stats_list.Viol_average_violations_only 0.1104
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 SER 0.000 0.000 . 0 "[ ]"
1 2 ASP 0.000 0.000 . 0 "[ ]"
1 3 VAL 0.226 0.135 1 0 "[ ]"
1 4 PHE 0.091 0.091 1 0 "[ ]"
1 5 GLU 1.807 1.463 1 1 [+]
1 6 PHE 0.449 0.225 1 0 "[ ]"
1 7 GLU 0.408 0.225 1 0 "[ ]"
1 8 PHE 0.192 0.192 1 0 "[ ]"
1 9 SER 0.321 0.321 1 0 "[ ]"
1 10 GLU 1.994 1.463 1 1 [+]
1 11 THR 0.428 0.321 1 0 "[ ]"
1 12 PRO 0.190 0.079 1 0 "[ ]"
1 13 LEU 0.200 0.098 1 0 "[ ]"
1 14 LEU 0.251 0.098 1 0 "[ ]"
1 15 PRO 0.327 0.327 1 0 "[ ]"
1 16 SER 0.000 0.000 . 0 "[ ]"
1 17 TYR 0.141 0.141 1 0 "[ ]"
1 18 ASN 1.531 1.439 1 1 [+]
1 19 ILE 0.130 0.041 1 0 "[ ]"
1 20 GLN 0.175 0.175 1 0 "[ ]"
1 21 VAL 0.607 0.256 1 0 "[ ]"
1 22 SER 0.000 0.000 . 0 "[ ]"
1 23 VAL 0.027 0.027 1 0 "[ ]"
1 24 ALA 1.692 1.463 1 1 [+]
1 25 GLN 1.710 1.463 1 1 [+]
1 26 GLY 0.044 0.027 1 0 "[ ]"
1 27 PRO 0.280 0.187 1 0 "[ ]"
1 28 ARG 0.787 0.256 1 0 "[ ]"
1 29 ASN 1.439 1.439 1 1 [+]
1 30 TRP 0.680 0.472 1 0 "[ ]"
1 31 LEU 0.668 0.668 1 1 [+]
1 32 LEU 0.438 0.171 1 0 "[ ]"
1 33 LEU 0.183 0.110 1 0 "[ ]"
1 34 SER 0.000 0.000 . 0 "[ ]"
1 35 ASP 0.391 0.302 1 0 "[ ]"
1 36 VAL 0.770 0.668 1 1 [+]
1 37 LEU 0.347 0.184 1 0 "[ ]"
1 38 LYS 0.015 0.015 1 0 "[ ]"
1 39 LYS 0.164 0.116 1 0 "[ ]"
1 40 LEU 0.588 0.163 1 0 "[ ]"
1 41 LYS 0.258 0.163 1 0 "[ ]"
1 42 MET 0.161 0.103 1 0 "[ ]"
1 43 SER 0.178 0.072 1 0 "[ ]"
1 45 ARG 0.278 0.092 1 0 "[ ]"
1 46 ILE 0.621 0.153 1 0 "[ ]"
1 47 PHE 0.218 0.142 1 0 "[ ]"
1 48 ARG 0.017 0.017 1 0 "[ ]"
1 49 SER 0.102 0.047 1 0 "[ ]"
1 50 ASN 0.054 0.050 1 0 "[ ]"
1 51 PHE 0.371 0.199 1 0 "[ ]"
1 52 PRO 0.138 0.122 1 0 "[ ]"
1 53 ASN 0.254 0.199 1 0 "[ ]"
1 54 VAL 0.055 0.055 1 0 "[ ]"
1 55 GLU 0.571 0.200 1 0 "[ ]"
1 56 ILE 0.329 0.103 1 0 "[ ]"
1 57 VAL 0.071 0.052 1 0 "[ ]"
1 58 THR 0.433 0.111 1 0 "[ ]"
1 59 ILE 0.327 0.060 1 0 "[ ]"
1 60 ALA 0.408 0.174 1 0 "[ ]"
1 61 GLU 1.744 1.041 1 1 [+]
1 62 ALA 0.281 0.174 1 0 "[ ]"
1 63 GLU 0.110 0.039 1 0 "[ ]"
1 64 PHE 0.115 0.091 1 0 "[ ]"
1 65 TYR 0.000 0.000 . 0 "[ ]"
1 66 ARG 0.109 0.082 1 0 "[ ]"
1 67 GLN 0.529 0.175 1 0 "[ ]"
1 68 VAL 0.195 0.141 1 0 "[ ]"
1 69 SER 0.016 0.016 1 0 "[ ]"
1 70 ALA 0.088 0.054 1 0 "[ ]"
1 71 SER 0.194 0.066 1 0 "[ ]"
1 72 LEU 0.301 0.139 1 0 "[ ]"
1 73 LEU 0.000 0.000 . 0 "[ ]"
1 74 PHE 0.000 0.000 . 0 "[ ]"
1 78 LYS 0.226 0.090 1 0 "[ ]"
1 79 ASP 0.301 0.139 1 0 "[ ]"
1 80 LEU 0.155 0.060 1 0 "[ ]"
1 81 GLU 0.215 0.113 1 0 "[ ]"
1 82 ALA 0.307 0.141 1 0 "[ ]"
1 83 PHE 0.278 0.205 1 0 "[ ]"
1 84 ASN 0.151 0.151 1 0 "[ ]"
1 85 PRO 0.567 0.365 1 0 "[ ]"
1 86 GLU 0.604 0.404 1 0 "[ ]"
1 87 SER 0.459 0.207 1 0 "[ ]"
1 88 LYS 0.081 0.058 1 0 "[ ]"
1 89 GLU 1.662 0.420 1 0 "[ ]"
1 90 LEU 1.404 0.420 1 0 "[ ]"
1 91 LEU 2.149 1.041 1 1 [+]
1 92 ASP 0.965 0.171 1 0 "[ ]"
1 93 LEU 0.745 0.302 1 0 "[ ]"
1 94 VAL 0.210 0.102 1 0 "[ ]"
1 95 GLU 0.628 0.472 1 0 "[ ]"
1 96 PHE 0.470 0.156 1 0 "[ ]"
1 97 THR 0.156 0.088 1 0 "[ ]"
1 99 GLU 0.325 0.124 1 0 "[ ]"
1 100 ILE 0.502 0.124 1 0 "[ ]"
1 101 GLN 0.154 0.104 1 0 "[ ]"
1 102 THR 0.196 0.090 1 0 "[ ]"
1 103 LEU 0.481 0.141 1 0 "[ ]"
1 104 LEU 0.385 0.134 1 0 "[ ]"
1 105 GLY 0.052 0.050 1 0 "[ ]"
1 106 SER 0.000 0.000 . 0 "[ ]"
1 108 VAL 0.394 0.214 1 0 "[ ]"
1 109 GLU 0.594 0.270 1 0 "[ ]"
1 110 TRP 0.016 0.016 1 0 "[ ]"
1 111 LEU 0.171 0.171 1 0 "[ ]"
1 113 PRO 0.314 0.171 1 0 "[ ]"
1 114 SER 0.000 0.000 . 0 "[ ]"
1 115 ASP 0.274 0.141 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 1 SER QB 2.223 . 2.841 2.010 2.010 2.010 . 0 0 "[ ]" 1
2 1 1 SER HA 1 2 ASP H 3.010 . 4.142 2.380 2.380 2.380 . 0 0 "[ ]" 1
3 1 2 ASP H 1 2 ASP HB2 3.031 . 4.179 2.482 2.482 2.482 . 0 0 "[ ]" 1
4 1 2 ASP H 1 3 VAL H 3.329 . 4.714 3.695 3.695 3.695 . 0 0 "[ ]" 1
5 1 2 ASP HA 1 2 ASP QB 2.149 . 2.726 2.368 2.368 2.368 . 0 0 "[ ]" 1
6 1 2 ASP HA 1 3 VAL H 2.599 . 3.443 2.432 2.432 2.432 . 0 0 "[ ]" 1
7 1 2 ASP QB 1 3 VAL H 3.202 . 4.484 3.877 3.877 3.877 . 0 0 "[ ]" 1
8 1 3 VAL H 1 3 VAL HA 2.999 . 4.124 2.891 2.891 2.891 . 0 0 "[ ]" 1
9 1 3 VAL H 1 3 VAL HB 2.849 . 3.863 2.548 2.548 2.548 . 0 0 "[ ]" 1
10 1 3 VAL H 1 3 VAL MG2 2.639 . 3.510 2.143 2.143 2.143 . 0 0 "[ ]" 1
11 1 3 VAL H 1 4 PHE H 3.142 . 4.376 2.370 2.370 2.370 . 0 0 "[ ]" 1
12 1 3 VAL HA 1 3 VAL HB 2.391 . 3.105 3.024 3.024 3.024 . 0 0 "[ ]" 1
13 1 3 VAL HA 1 3 VAL QG 2.225 . 2.844 2.151 2.151 2.151 . 0 0 "[ ]" 1
14 1 3 VAL HA 1 4 PHE H 2.437 . 3.180 3.271 3.271 3.271 0.091 1 0 "[ ]" 1
15 1 3 VAL HB 1 4 PHE H 3.291 . 4.645 3.414 3.414 3.414 . 0 0 "[ ]" 1
16 1 3 VAL QG 1 4 PHE H 3.210 . 4.498 3.576 3.576 3.576 . 0 0 "[ ]" 1
17 1 3 VAL QG 1 6 PHE H 3.279 . 4.623 4.577 4.577 4.577 . 0 0 "[ ]" 1
18 1 3 VAL MG1 1 4 PHE H 3.169 . 4.425 4.050 4.050 4.050 . 0 0 "[ ]" 1
19 1 3 VAL MG1 1 6 PHE H 3.237 . 4.547 4.682 4.682 4.682 0.135 1 0 "[ ]" 1
20 1 4 PHE H 1 4 PHE HA 2.613 . 3.466 2.268 2.268 2.268 . 0 0 "[ ]" 1
21 1 4 PHE H 1 4 PHE HB2 3.018 . 4.157 4.019 4.019 4.019 . 0 0 "[ ]" 1
22 1 4 PHE H 1 4 PHE HB3 2.786 . 3.756 3.123 3.123 3.123 . 0 0 "[ ]" 1
23 1 4 PHE HA 1 5 GLU H 2.403 . 3.125 2.228 2.228 2.228 . 0 0 "[ ]" 1
24 1 4 PHE HB2 1 5 GLU H 3.311 . 4.681 4.131 4.131 4.131 . 0 0 "[ ]" 1
25 1 4 PHE HB3 1 5 GLU H 3.595 . 5.210 4.444 4.444 4.444 . 0 0 "[ ]" 1
26 1 5 GLU H 1 5 GLU HB2 3.222 . 4.519 3.970 3.970 3.970 . 0 0 "[ ]" 1
27 1 5 GLU H 1 5 GLU HB3 2.804 . 3.787 3.104 3.104 3.104 . 0 0 "[ ]" 1
28 1 5 GLU H 1 5 GLU HG2 3.652 . 5.319 3.909 3.909 3.909 . 0 0 "[ ]" 1
29 1 5 GLU H 1 5 GLU HG2 3.606 . 5.231 3.908 3.908 3.908 . 0 0 "[ ]" 1
30 1 5 GLU HA 1 5 GLU HB3 2.392 . 3.107 2.545 2.545 2.545 . 0 0 "[ ]" 1
31 1 5 GLU HA 1 5 GLU HB3 2.389 . 3.102 2.175 2.175 2.175 . 0 0 "[ ]" 1
32 1 5 GLU HA 1 5 GLU HG3 . . 2.615 2.689 2.689 2.689 0.074 1 0 "[ ]" 1
33 1 5 GLU HA 1 5 GLU HG3 2.074 . 2.612 2.882 2.882 2.882 0.270 1 0 "[ ]" 1
34 1 5 GLU HA 1 6 PHE H 2.233 . 2.856 2.491 2.491 2.491 . 0 0 "[ ]" 1
35 1 5 GLU HA 1 10 GLU HA 2.459 . 3.215 4.678 4.678 4.678 1.463 1 1 [+] 1
36 1 5 GLU HB2 1 6 PHE H 3.263 . 4.594 2.341 2.341 2.341 . 0 0 "[ ]" 1
37 1 5 GLU HB2 1 6 PHE H 3.222 . 4.519 2.341 2.341 2.341 . 0 0 "[ ]" 1
38 1 5 GLU HB2 1 7 GLU H 2.565 . 3.387 2.880 2.880 2.880 . 0 0 "[ ]" 1
39 1 5 GLU HB2 1 7 GLU H 3.130 . 4.355 2.645 2.645 2.645 . 0 0 "[ ]" 1
40 1 5 GLU HB2 1 7 GLU H 3.170 . 4.426 2.815 2.815 2.815 . 0 0 "[ ]" 1
41 1 5 GLU HG2 1 7 GLU H 3.357 . 4.766 3.282 3.282 3.282 . 0 0 "[ ]" 1
42 1 5 GLU HG3 1 8 PHE H 3.325 . 4.707 4.172 4.172 4.172 . 0 0 "[ ]" 1
43 1 6 PHE H 1 6 PHE HA 2.784 . 3.753 2.935 2.935 2.935 . 0 0 "[ ]" 1
44 1 6 PHE H 1 6 PHE HB2 2.572 . 3.399 2.611 2.611 2.611 . 0 0 "[ ]" 1
45 1 6 PHE H 1 6 PHE HB3 2.773 . 3.734 3.728 3.728 3.728 . 0 0 "[ ]" 1
46 1 6 PHE H 1 7 GLU H 3.470 . 4.975 2.306 2.306 2.306 . 0 0 "[ ]" 1
47 1 6 PHE HA 1 6 PHE HB2 2.347 . 3.035 3.022 3.022 3.022 . 0 0 "[ ]" 1
48 1 6 PHE HA 1 6 PHE HB3 2.295 . 2.953 2.435 2.435 2.435 . 0 0 "[ ]" 1
49 1 6 PHE HA 1 7 GLU H 2.265 . 2.907 2.996 2.996 2.996 0.089 1 0 "[ ]" 1
50 1 6 PHE HB2 1 7 GLU H 3.240 . 4.552 3.807 3.807 3.807 . 0 0 "[ ]" 1
51 1 6 PHE HB3 1 7 GLU H 3.024 . 4.167 4.392 4.392 4.392 0.225 1 0 "[ ]" 1
52 1 6 PHE HB3 1 7 GLU H 3.063 . 4.236 4.116 4.116 4.116 . 0 0 "[ ]" 1
53 1 7 GLU H 1 7 GLU HA 2.684 . 3.585 2.275 2.275 2.275 . 0 0 "[ ]" 1
54 1 7 GLU HA 1 7 GLU HB3 1.964 . 2.446 2.466 2.466 2.466 0.020 1 0 "[ ]" 1
55 1 7 GLU HA 1 8 PHE H 2.174 . 2.765 2.464 2.464 2.464 . 0 0 "[ ]" 1
56 1 8 PHE H 1 8 PHE HA 2.802 . 3.783 2.608 2.608 2.608 . 0 0 "[ ]" 1
57 1 8 PHE H 1 8 PHE HB2 2.888 . 3.931 3.619 3.619 3.619 . 0 0 "[ ]" 1
58 1 8 PHE H 1 8 PHE HB3 2.720 . 3.645 3.556 3.556 3.556 . 0 0 "[ ]" 1
59 1 8 PHE H 1 10 GLU HA 3.346 . 4.745 4.937 4.937 4.937 0.192 1 0 "[ ]" 1
60 1 8 PHE HA 1 8 PHE HB2 2.222 . 2.839 2.576 2.576 2.576 . 0 0 "[ ]" 1
61 1 8 PHE HA 1 9 SER H 2.532 . 3.333 2.602 2.602 2.602 . 0 0 "[ ]" 1
62 1 8 PHE HA 1 10 GLU H 3.148 . 4.386 3.295 3.295 3.295 . 0 0 "[ ]" 1
63 1 9 SER H 1 9 SER QB 3.143 . 4.378 3.243 3.243 3.243 . 0 0 "[ ]" 1
64 1 9 SER HA 1 9 SER QB 2.214 . 2.827 2.164 2.164 2.164 . 0 0 "[ ]" 1
65 1 9 SER HA 1 9 SER HB3 2.017 . 2.526 2.294 2.294 2.294 . 0 0 "[ ]" 1
66 1 9 SER HA 1 10 GLU H 2.449 . 3.199 2.811 2.811 2.811 . 0 0 "[ ]" 1
67 1 9 SER HA 1 11 THR H 3.152 . 4.394 4.305 4.305 4.305 . 0 0 "[ ]" 1
68 1 9 SER HA 1 11 THR MG 2.492 . 3.268 3.589 3.589 3.589 0.321 1 0 "[ ]" 1
69 1 9 SER QB 1 11 THR MG 2.281 . 2.931 2.083 2.083 2.083 . 0 0 "[ ]" 1
70 1 9 SER HB2 1 10 GLU H 3.151 . 4.392 4.282 4.282 4.282 . 0 0 "[ ]" 1
71 1 10 GLU H 1 10 GLU HA 2.949 . 4.036 2.243 2.243 2.243 . 0 0 "[ ]" 1
72 1 10 GLU H 1 10 GLU HB2 2.703 . 3.616 3.373 3.373 3.373 . 0 0 "[ ]" 1
73 1 10 GLU H 1 10 GLU HB3 2.917 . 3.981 3.928 3.928 3.928 . 0 0 "[ ]" 1
74 1 10 GLU HA 1 10 GLU HB2 2.281 . 2.931 2.999 2.999 2.999 0.068 1 0 "[ ]" 1
75 1 10 GLU HA 1 10 GLU HB3 2.200 . 2.805 2.484 2.484 2.484 . 0 0 "[ ]" 1
76 1 10 GLU HA 1 11 THR H 2.324 . 2.999 2.233 2.233 2.233 . 0 0 "[ ]" 1
77 1 10 GLU HB2 1 11 THR H 3.347 . 4.747 4.466 4.466 4.466 . 0 0 "[ ]" 1
78 1 10 GLU HB3 1 11 THR H 3.299 . 4.659 4.017 4.017 4.017 . 0 0 "[ ]" 1
79 1 11 THR H 1 11 THR HB 2.891 . 3.906 3.842 3.842 3.842 . 0 0 "[ ]" 1
80 1 11 THR H 1 11 THR MG 3.128 . 4.351 3.216 3.216 3.216 . 0 0 "[ ]" 1
81 1 11 THR H 1 12 PRO HG3 3.401 . 4.827 4.888 4.888 4.888 0.061 1 0 "[ ]" 1
82 1 11 THR HA 1 11 THR HB 2.237 . 2.862 2.524 2.524 2.524 . 0 0 "[ ]" 1
83 1 11 THR HA 1 11 THR MG 2.066 . 2.599 2.281 2.281 2.281 . 0 0 "[ ]" 1
84 1 11 THR HA 1 12 PRO HD3 1.927 . 2.391 1.694 1.694 1.694 . 0 0 "[ ]" 1
85 1 11 THR HA 1 12 PRO HG3 2.522 . 3.317 3.331 3.331 3.331 0.014 1 0 "[ ]" 1
86 1 11 THR HB 1 11 THR MG 1.967 . 2.451 2.137 2.137 2.137 . 0 0 "[ ]" 1
87 1 11 THR HB 1 12 PRO HD3 2.496 . 3.275 3.307 3.307 3.307 0.032 1 0 "[ ]" 1
88 1 12 PRO HA 1 12 PRO HB2 2.134 . 2.703 2.782 2.782 2.782 0.079 1 0 "[ ]" 1
89 1 12 PRO HA 1 12 PRO HB3 2.003 . 2.504 2.247 2.247 2.247 . 0 0 "[ ]" 1
90 1 12 PRO HA 1 13 LEU H 1.953 . 2.430 2.190 2.190 2.190 . 0 0 "[ ]" 1
91 1 12 PRO HA 1 14 LEU H 3.220 . 4.516 4.516 4.516 4.516 0.000 1 0 "[ ]" 1
92 1 12 PRO HB2 1 12 PRO HD2 2.140 . 2.713 2.708 2.708 2.708 . 0 0 "[ ]" 1
93 1 12 PRO HB3 1 13 LEU H 3.131 . 4.357 4.154 4.154 4.154 . 0 0 "[ ]" 1
94 1 12 PRO HB3 1 14 LEU H 3.412 . 4.868 4.872 4.872 4.872 0.004 1 0 "[ ]" 1
95 1 12 PRO HD3 1 12 PRO HG3 2.087 . 2.631 2.334 2.334 2.334 . 0 0 "[ ]" 1
96 1 13 LEU H 1 13 LEU HA 2.708 . 3.625 2.911 2.911 2.911 . 0 0 "[ ]" 1
97 1 13 LEU H 1 13 LEU HB2 2.348 . 3.037 2.441 2.441 2.441 . 0 0 "[ ]" 1
98 1 13 LEU H 1 13 LEU HB3 2.811 . 3.798 3.645 3.645 3.645 . 0 0 "[ ]" 1
99 1 13 LEU H 1 13 LEU QD 2.971 . 4.074 2.088 2.088 2.088 . 0 0 "[ ]" 1
100 1 13 LEU HA 1 13 LEU HB2 2.294 . 2.952 2.999 2.999 2.999 0.047 1 0 "[ ]" 1
101 1 13 LEU HA 1 13 LEU MD1 2.033 . 2.550 1.927 1.927 1.927 . 0 0 "[ ]" 1
102 1 13 LEU HA 1 14 LEU H 2.225 . 2.844 2.344 2.344 2.344 . 0 0 "[ ]" 1
103 1 13 LEU HB2 1 13 LEU MD2 2.391 . 3.106 2.252 2.252 2.252 . 0 0 "[ ]" 1
104 1 13 LEU HB3 1 14 LEU H 2.875 . 3.908 3.390 3.390 3.390 . 0 0 "[ ]" 1
105 1 13 LEU QD 1 14 LEU H 2.809 . 3.795 3.711 3.711 3.711 . 0 0 "[ ]" 1
106 1 13 LEU MD1 1 14 LEU H 2.830 . 3.831 3.886 3.886 3.886 0.055 1 0 "[ ]" 1
107 1 13 LEU MD1 1 14 LEU H 2.773 . 3.734 3.029 3.029 3.029 . 0 0 "[ ]" 1
108 1 13 LEU MD1 1 28 ARG HG3 2.732 . 3.665 3.763 3.763 3.763 0.098 1 0 "[ ]" 1
109 1 14 LEU H 1 14 LEU HA 2.907 . 3.963 2.862 2.862 2.862 . 0 0 "[ ]" 1
110 1 14 LEU H 1 14 LEU HB2 2.632 . 3.498 2.417 2.417 2.417 . 0 0 "[ ]" 1
111 1 14 LEU H 1 14 LEU HB3 2.912 . 3.972 3.591 3.591 3.591 . 0 0 "[ ]" 1
112 1 14 LEU H 1 14 LEU HG 2.788 . 3.760 2.449 2.449 2.449 . 0 0 "[ ]" 1
113 1 14 LEU HA 1 14 LEU MD2 2.343 . 3.029 1.984 1.984 1.984 . 0 0 "[ ]" 1
114 1 14 LEU HA 1 15 PRO HD2 2.312 . 2.980 2.022 2.022 2.022 . 0 0 "[ ]" 1
115 1 14 LEU HA 1 15 PRO HD3 2.199 . 2.803 2.468 2.468 2.468 . 0 0 "[ ]" 1
116 1 14 LEU MD1 1 28 ARG HG3 2.734 . 3.669 3.763 3.763 3.763 0.094 1 0 "[ ]" 1
117 1 14 LEU MD2 1 15 PRO HD2 2.665 . 3.553 2.647 2.647 2.647 . 0 0 "[ ]" 1
118 1 15 PRO HA 1 15 PRO QB 2.183 . 2.779 2.149 2.149 2.149 . 0 0 "[ ]" 1
119 1 15 PRO HA 1 16 SER H 1.945 . 2.418 2.077 2.077 2.077 . 0 0 "[ ]" 1
120 1 15 PRO QB 1 15 PRO HD2 2.459 . 3.215 3.542 3.542 3.542 0.327 1 0 "[ ]" 1
121 1 15 PRO QB 1 16 SER H 2.940 . 3.824 3.526 3.526 3.526 . 0 0 "[ ]" 1
122 1 16 SER H 1 16 SER HA 2.843 . 3.853 2.899 2.899 2.899 . 0 0 "[ ]" 1
123 1 16 SER H 1 16 SER HB2 2.988 . 4.104 2.483 2.483 2.483 . 0 0 "[ ]" 1
124 1 16 SER H 1 16 SER HB3 3.103 . 4.307 3.613 3.613 3.613 . 0 0 "[ ]" 1
125 1 16 SER HA 1 16 SER HB2 2.399 . 3.119 3.024 3.024 3.024 . 0 0 "[ ]" 1
126 1 16 SER HA 1 16 SER HB3 2.376 . 3.082 2.448 2.448 2.448 . 0 0 "[ ]" 1
127 1 16 SER HA 1 17 TYR H 2.234 . 2.858 2.439 2.439 2.439 . 0 0 "[ ]" 1
128 1 16 SER HB2 1 17 TYR H 3.061 . 4.232 3.506 3.506 3.506 . 0 0 "[ ]" 1
129 1 16 SER HB2 1 31 LEU QD 2.330 . 2.961 1.934 1.934 1.934 . 0 0 "[ ]" 1
130 1 16 SER HB3 1 17 TYR H 2.470 . 3.232 2.438 2.438 2.438 . 0 0 "[ ]" 1
131 1 16 SER HB3 1 31 LEU QD 2.464 . 3.179 2.902 2.902 2.902 . 0 0 "[ ]" 1
132 1 17 TYR H 1 17 TYR HB2 3.234 . 4.541 2.472 2.472 2.472 . 0 0 "[ ]" 1
133 1 17 TYR H 1 17 TYR HB3 3.053 . 4.218 3.665 3.665 3.665 . 0 0 "[ ]" 1
134 1 17 TYR H 1 19 ILE MD 3.223 . 4.522 4.440 4.440 4.440 . 0 0 "[ ]" 1
135 1 17 TYR H 1 31 LEU QD 3.265 . 4.598 4.501 4.501 4.501 . 0 0 "[ ]" 1
136 1 17 TYR HA 1 18 ASN H 2.738 . 3.675 2.074 2.074 2.074 . 0 0 "[ ]" 1
137 1 17 TYR HB2 1 68 VAL MG2 2.465 . 3.225 3.366 3.366 3.366 0.141 1 0 "[ ]" 1
138 1 18 ASN H 1 18 ASN HA 2.976 . 4.083 2.883 2.883 2.883 . 0 0 "[ ]" 1
139 1 18 ASN H 1 18 ASN HB2 2.569 . 3.394 3.279 3.279 3.279 . 0 0 "[ ]" 1
140 1 18 ASN H 1 18 ASN HB3 2.564 . 3.386 3.080 3.080 3.080 . 0 0 "[ ]" 1
141 1 18 ASN H 1 29 ASN QD 3.125 . 4.346 4.001 4.001 4.001 . 0 0 "[ ]" 1
142 1 18 ASN HA 1 18 ASN HB2 2.700 . 3.611 2.552 2.552 2.552 . 0 0 "[ ]" 1
143 1 18 ASN HA 1 18 ASN HB3 2.464 . 3.223 3.015 3.015 3.015 . 0 0 "[ ]" 1
144 1 18 ASN HA 1 19 ILE H 2.184 . 2.780 2.732 2.732 2.732 . 0 0 "[ ]" 1
145 1 18 ASN HA 1 19 ILE MD 2.476 . 3.242 2.383 2.383 2.383 . 0 0 "[ ]" 1
146 1 18 ASN HA 1 29 ASN HA 2.527 . 3.325 4.764 4.764 4.764 1.439 1 1 [+] 1
147 1 18 ASN HA 1 30 TRP H 3.138 . 4.369 4.462 4.462 4.462 0.093 1 0 "[ ]" 1
148 1 18 ASN HB2 1 19 ILE H 3.382 . 4.812 3.721 3.721 3.721 . 0 0 "[ ]" 1
149 1 18 ASN HB2 1 29 ASN QD 3.073 . 4.254 2.748 2.748 2.748 . 0 0 "[ ]" 1
150 1 18 ASN HB3 1 19 ILE H 3.335 . 4.725 2.934 2.934 2.934 . 0 0 "[ ]" 1
151 1 19 ILE H 1 19 ILE HB 3.073 . 4.254 3.455 3.455 3.455 . 0 0 "[ ]" 1
152 1 19 ILE H 1 19 ILE HG12 3.375 . 4.799 4.288 4.288 4.288 . 0 0 "[ ]" 1
153 1 19 ILE H 1 19 ILE HG13 3.337 . 4.729 3.280 3.280 3.280 . 0 0 "[ ]" 1
154 1 19 ILE H 1 19 ILE MG 3.401 . 4.847 4.010 4.010 4.010 . 0 0 "[ ]" 1
155 1 19 ILE H 1 29 ASN HA 3.178 . 4.441 3.974 3.974 3.974 . 0 0 "[ ]" 1
156 1 19 ILE H 1 29 ASN QD 2.624 . 3.485 3.297 3.297 3.297 . 0 0 "[ ]" 1
157 1 19 ILE HA 1 19 ILE MD 2.509 . 3.296 3.327 3.327 3.327 0.031 1 0 "[ ]" 1
158 1 19 ILE HA 1 19 ILE MG 2.445 . 2.864 2.141 2.141 2.141 . 0 0 "[ ]" 1
159 1 19 ILE HA 1 20 GLN H 2.281 . 2.932 2.595 2.595 2.595 . 0 0 "[ ]" 1
160 1 19 ILE HB 1 19 ILE HG12 2.804 . 3.787 2.508 2.508 2.508 . 0 0 "[ ]" 1
161 1 19 ILE HB 1 19 ILE MG 2.059 . 2.589 2.123 2.123 2.123 . 0 0 "[ ]" 1
162 1 19 ILE HB 1 20 GLN H 2.938 . 4.017 2.391 2.391 2.391 . 0 0 "[ ]" 1
163 1 19 ILE MD 1 19 ILE HG12 2.162 . 2.746 2.107 2.107 2.107 . 0 0 "[ ]" 1
164 1 19 ILE MD 1 19 ILE HG12 2.398 . 3.117 1.940 1.940 1.940 . 0 0 "[ ]" 1
165 1 19 ILE MD 1 64 PHE HA 2.393 . 3.109 3.133 3.133 3.133 0.024 1 0 "[ ]" 1
166 1 19 ILE MD 1 67 GLN HB3 2.426 . 3.162 3.187 3.187 3.187 0.025 1 0 "[ ]" 1
167 1 19 ILE MD 1 67 GLN QG 2.475 . 3.241 1.958 1.958 1.958 . 0 0 "[ ]" 1
168 1 19 ILE MD 1 68 VAL MG2 2.086 . 2.630 2.671 2.671 2.671 0.041 1 0 "[ ]" 1
169 1 19 ILE HG12 1 19 ILE MG 2.278 . 2.926 2.269 2.269 2.269 . 0 0 "[ ]" 1
170 1 19 ILE MG 1 20 GLN H 2.735 . 3.064 1.815 1.815 1.815 . 0 0 "[ ]" 1
171 1 19 ILE MG 1 20 GLN HE22 3.287 . 4.638 2.365 2.365 2.365 . 0 0 "[ ]" 1
172 1 19 ILE MG 1 67 GLN HB3 2.385 . 3.096 3.105 3.105 3.105 0.009 1 0 "[ ]" 1
173 1 19 ILE MG 1 68 VAL MG2 2.431 . 3.170 2.764 2.764 2.764 . 0 0 "[ ]" 1
174 1 20 GLN H 1 20 GLN HB2 2.780 . 3.746 3.605 3.605 3.605 . 0 0 "[ ]" 1
175 1 20 GLN H 1 20 GLN HB3 2.928 . 4.000 2.538 2.538 2.538 . 0 0 "[ ]" 1
176 1 20 GLN H 1 20 GLN HE22 3.081 . 4.268 3.410 3.410 3.410 . 0 0 "[ ]" 1
177 1 20 GLN HA 1 21 VAL H 2.942 . 4.024 2.032 2.032 2.032 . 0 0 "[ ]" 1
178 1 20 GLN HE21 1 67 GLN HB3 3.018 . 4.157 2.363 2.363 2.363 . 0 0 "[ ]" 1
179 1 20 GLN HE21 1 67 GLN QG 3.194 . 4.469 4.395 4.395 4.395 . 0 0 "[ ]" 1
180 1 20 GLN HE22 1 67 GLN HB3 3.102 . 4.305 2.578 2.578 2.578 . 0 0 "[ ]" 1
181 1 20 GLN HE22 1 67 GLN QG 3.126 . 4.348 4.523 4.523 4.523 0.175 1 0 "[ ]" 1
182 1 20 GLN QG 1 21 VAL H 3.370 . 4.790 4.210 4.210 4.210 . 0 0 "[ ]" 1
183 1 21 VAL H 1 21 VAL HA 2.964 . 4.062 2.894 2.894 2.894 . 0 0 "[ ]" 1
184 1 21 VAL H 1 21 VAL HB 2.758 . 3.709 2.195 2.195 2.195 . 0 0 "[ ]" 1
185 1 21 VAL H 1 21 VAL MG1 3.341 . 4.737 3.665 3.665 3.665 . 0 0 "[ ]" 1
186 1 21 VAL H 1 21 VAL MG2 2.859 . 2.913 2.478 2.478 2.478 . 0 0 "[ ]" 1
187 1 21 VAL H 1 22 SER H 2.454 . 3.207 2.744 2.744 2.744 . 0 0 "[ ]" 1
188 1 21 VAL H 1 28 ARG H 2.904 . 3.958 3.631 3.631 3.631 . 0 0 "[ ]" 1
189 1 21 VAL HA 1 21 VAL HB 2.259 . 2.897 2.962 2.962 2.962 0.065 1 0 "[ ]" 1
190 1 21 VAL HA 1 21 VAL MG1 2.233 . 2.624 2.630 2.630 2.630 0.006 1 0 "[ ]" 1
191 1 21 VAL HA 1 21 VAL MG2 2.112 . 2.670 2.250 2.250 2.250 . 0 0 "[ ]" 1
192 1 21 VAL HA 1 22 SER H 3.016 . 4.153 3.522 3.522 3.522 . 0 0 "[ ]" 1
193 1 21 VAL HB 1 21 VAL MG2 1.945 . 2.418 2.104 2.104 2.104 . 0 0 "[ ]" 1
194 1 21 VAL HB 1 22 SER H 2.777 . 3.741 2.063 2.063 2.063 . 0 0 "[ ]" 1
195 1 21 VAL HB 1 28 ARG H 3.283 . 4.630 1.749 1.749 1.749 0.187 1 0 "[ ]" 1
196 1 21 VAL MG1 1 22 SER H 3.243 . 4.557 2.376 2.376 2.376 . 0 0 "[ ]" 1
197 1 21 VAL MG1 1 27 PRO HA 2.508 . 3.294 3.387 3.387 3.387 0.093 1 0 "[ ]" 1
198 1 21 VAL MG1 1 27 PRO HA 2.511 . 3.299 3.183 3.183 3.183 . 0 0 "[ ]" 1
199 1 21 VAL MG1 1 28 ARG HD2 2.459 . 3.215 2.037 2.037 2.037 . 0 0 "[ ]" 1
200 1 21 VAL MG1 1 28 ARG HG3 2.499 . 3.280 3.536 3.536 3.536 0.256 1 0 "[ ]" 1
201 1 21 VAL MG2 1 22 SER H 2.988 . 4.104 3.664 3.664 3.664 . 0 0 "[ ]" 1
202 1 22 SER H 1 22 SER HA 2.445 . 3.192 2.882 2.882 2.882 . 0 0 "[ ]" 1
203 1 22 SER H 1 22 SER HB2 2.743 . 3.683 2.955 2.955 2.955 . 0 0 "[ ]" 1
204 1 22 SER H 1 22 SER HB3 3.073 . 4.254 3.952 3.952 3.952 . 0 0 "[ ]" 1
205 1 22 SER HA 1 22 SER HB2 2.469 . 3.231 3.038 3.038 3.038 . 0 0 "[ ]" 1
206 1 22 SER HA 1 22 SER HB3 2.273 . 2.919 2.474 2.474 2.474 . 0 0 "[ ]" 1
207 1 22 SER HB2 1 26 GLY H 2.791 . 3.765 2.940 2.940 2.940 . 0 0 "[ ]" 1
208 1 22 SER HB2 1 25 GLN H 2.961 . 4.057 3.395 3.395 3.395 . 0 0 "[ ]" 1
209 1 22 SER HB3 1 24 ALA H 3.062 . 4.234 3.169 3.169 3.169 . 0 0 "[ ]" 1
210 1 23 VAL HA 1 23 VAL HB 2.186 . 2.783 2.480 2.480 2.480 . 0 0 "[ ]" 1
211 1 23 VAL HA 1 23 VAL MG1 2.055 . 2.385 2.277 2.277 2.277 . 0 0 "[ ]" 1
212 1 23 VAL HA 1 24 ALA H 2.823 . 3.819 3.393 3.393 3.393 . 0 0 "[ ]" 1
213 1 23 VAL HA 1 26 GLY H 2.827 . 3.826 3.305 3.305 3.305 . 0 0 "[ ]" 1
214 1 23 VAL HA 1 26 GLY HA2 2.578 . 3.409 3.436 3.436 3.436 0.027 1 0 "[ ]" 1
215 1 23 VAL MG2 1 24 ALA H 2.981 . 4.092 2.728 2.728 2.728 . 0 0 "[ ]" 1
216 1 23 VAL MG2 1 24 ALA HA 2.777 . 3.741 3.541 3.541 3.541 . 0 0 "[ ]" 1
217 1 24 ALA H 1 24 ALA HA 2.572 . 3.399 2.879 2.879 2.879 . 0 0 "[ ]" 1
218 1 24 ALA H 1 24 ALA MB 2.236 . 2.861 2.261 2.261 2.261 . 0 0 "[ ]" 1
219 1 24 ALA H 1 25 GLN H 2.703 . 3.616 2.307 2.307 2.307 . 0 0 "[ ]" 1
220 1 24 ALA H 1 25 GLN HB2 2.877 . 3.912 4.141 4.141 4.141 0.229 1 0 "[ ]" 1
221 1 24 ALA HA 1 24 ALA MB 1.911 . 2.367 2.136 2.136 2.136 . 0 0 "[ ]" 1
222 1 24 ALA HA 1 25 GLN H 2.723 . 3.650 3.457 3.457 3.457 . 0 0 "[ ]" 1
223 1 24 ALA MB 1 25 GLN H 2.409 . 3.135 2.510 2.510 2.510 . 0 0 "[ ]" 1
224 1 25 GLN H 1 25 GLN HA 2.530 . 3.330 2.894 2.894 2.894 . 0 0 "[ ]" 1
225 1 25 GLN H 1 25 GLN HB2 2.514 . 3.304 2.123 2.123 2.123 . 0 0 "[ ]" 1
226 1 25 GLN H 1 25 GLN HB3 2.689 . 3.593 3.447 3.447 3.447 . 0 0 "[ ]" 1
227 1 25 GLN H 1 26 GLY H 2.453 . 3.205 2.338 2.338 2.338 . 0 0 "[ ]" 1
228 1 25 GLN HA 1 26 GLY H 2.321 . 2.994 2.792 2.792 2.792 . 0 0 "[ ]" 1
229 1 25 GLN HB2 1 26 GLY H 2.887 . 3.929 2.501 2.501 2.501 . 0 0 "[ ]" 1
230 1 25 GLN HB3 1 26 GLY H 2.863 . 3.888 3.073 3.073 3.073 . 0 0 "[ ]" 1
231 1 25 GLN HB3 1 26 GLY HA3 2.953 . 4.043 4.060 4.060 4.060 0.017 1 0 "[ ]" 1
232 1 26 GLY H 1 26 GLY HA2 2.414 . 3.142 2.571 2.571 2.571 . 0 0 "[ ]" 1
233 1 26 GLY H 1 26 GLY HA3 2.569 . 3.394 2.928 2.928 2.928 . 0 0 "[ ]" 1
234 1 27 PRO HA 1 28 ARG H 2.922 . 3.989 2.150 2.150 2.150 . 0 0 "[ ]" 1
235 1 27 PRO HB3 1 28 ARG H 3.198 . 4.476 4.098 4.098 4.098 . 0 0 "[ ]" 1
236 1 28 ARG H 1 28 ARG HB2 2.893 . 3.939 2.342 2.342 2.342 . 0 0 "[ ]" 1
237 1 28 ARG H 1 28 ARG QB 2.388 . 3.101 1.954 1.954 1.954 . 0 0 "[ ]" 1
238 1 28 ARG H 1 28 ARG HG2 3.206 . 4.491 4.309 4.309 4.309 . 0 0 "[ ]" 1
239 1 28 ARG H 1 28 ARG HG3 3.356 . 4.764 3.626 3.626 3.626 . 0 0 "[ ]" 1
240 1 28 ARG H 1 29 ASN QD 3.355 . 4.762 4.502 4.502 4.502 . 0 0 "[ ]" 1
241 1 28 ARG HA 1 28 ARG HB2 2.238 . 2.864 2.963 2.963 2.963 0.099 1 0 "[ ]" 1
242 1 28 ARG HA 1 28 ARG HD2 2.443 . 3.189 3.242 3.242 3.242 0.053 1 0 "[ ]" 1
243 1 28 ARG HA 1 29 ASN H 2.373 . 3.077 2.558 2.558 2.558 . 0 0 "[ ]" 1
244 1 28 ARG HB2 1 28 ARG HG2 2.703 . 3.616 2.639 2.639 2.639 . 0 0 "[ ]" 1
245 1 28 ARG HB3 1 29 ASN H 2.440 . 3.184 2.123 2.123 2.123 . 0 0 "[ ]" 1
246 1 28 ARG HD2 1 28 ARG HG2 2.050 . 2.575 2.322 2.322 2.322 . 0 0 "[ ]" 1
247 1 28 ARG HG2 1 29 ASN H 3.405 . 4.854 4.061 4.061 4.061 . 0 0 "[ ]" 1
248 1 29 ASN H 1 29 ASN HB2 2.422 . 3.156 2.785 2.785 2.785 . 0 0 "[ ]" 1
249 1 29 ASN H 1 29 ASN HB3 2.679 . 3.576 3.574 3.574 3.574 . 0 0 "[ ]" 1
250 1 29 ASN H 1 29 ASN QD 3.353 . 4.758 3.753 3.753 3.753 . 0 0 "[ ]" 1
251 1 29 ASN HA 1 29 ASN HB3 2.435 . 3.176 2.791 2.791 2.791 . 0 0 "[ ]" 1
252 1 29 ASN HA 1 30 TRP H 2.190 . 2.790 2.173 2.173 2.173 . 0 0 "[ ]" 1
253 1 29 ASN HB2 1 29 ASN QD 2.926 . 3.996 2.919 2.919 2.919 . 0 0 "[ ]" 1
254 1 29 ASN HB2 1 30 TRP H 2.902 . 3.955 3.126 3.126 3.126 . 0 0 "[ ]" 1
255 1 29 ASN HB3 1 29 ASN QD 3.211 . 4.500 3.306 3.306 3.306 . 0 0 "[ ]" 1
256 1 29 ASN HB3 1 30 TRP H 3.016 . 4.153 3.856 3.856 3.856 . 0 0 "[ ]" 1
257 1 29 ASN HB3 1 30 TRP HA 3.070 . 4.248 4.214 4.214 4.214 . 0 0 "[ ]" 1
258 1 29 ASN QD 1 30 TRP H 2.858 . 3.879 3.783 3.783 3.783 . 0 0 "[ ]" 1
259 1 30 TRP H 1 30 TRP HB2 2.921 . 3.988 2.641 2.641 2.641 . 0 0 "[ ]" 1
260 1 30 TRP H 1 30 TRP HB3 3.155 . 4.399 3.696 3.696 3.696 . 0 0 "[ ]" 1
261 1 30 TRP HA 1 30 TRP HB2 2.851 . 3.867 3.040 3.040 3.040 . 0 0 "[ ]" 1
262 1 30 TRP HA 1 30 TRP HB3 2.807 . 3.792 2.411 2.411 2.411 . 0 0 "[ ]" 1
263 1 30 TRP HA 1 31 LEU H 2.319 . 2.991 2.175 2.175 2.175 . 0 0 "[ ]" 1
264 1 30 TRP HA 1 31 LEU QD 3.204 . 4.487 3.309 3.309 3.309 . 0 0 "[ ]" 1
265 1 30 TRP HA 1 31 LEU HG 3.045 . 4.204 3.277 3.277 3.277 . 0 0 "[ ]" 1
266 1 30 TRP HA 1 93 LEU MD1 2.919 . 3.984 4.034 4.034 4.034 0.050 1 0 "[ ]" 1
267 1 30 TRP HA 1 93 LEU HB3 3.124 . 4.344 3.958 3.958 3.958 . 0 0 "[ ]" 1
268 1 30 TRP HA 1 93 LEU HB3 3.742 . 5.492 3.669 3.669 3.669 . 0 0 "[ ]" 1
269 1 30 TRP HA 1 94 VAL H 3.357 . 4.766 4.550 4.550 4.550 . 0 0 "[ ]" 1
270 1 30 TRP HA 1 95 GLU HA 2.402 . 3.123 3.595 3.595 3.595 0.472 1 0 "[ ]" 1
271 1 30 TRP HA 1 96 PHE H 2.637 . 3.506 3.520 3.520 3.520 0.014 1 0 "[ ]" 1
272 1 30 TRP HA 1 96 PHE HB2 3.636 . 5.289 5.315 5.315 5.315 0.026 1 0 "[ ]" 1
273 1 30 TRP HA 1 96 PHE HB3 3.241 . 4.554 3.618 3.618 3.618 . 0 0 "[ ]" 1
274 1 30 TRP HB2 1 31 LEU H 3.285 . 4.634 4.080 4.080 4.080 . 0 0 "[ ]" 1
275 1 30 TRP HB2 1 93 LEU HB2 3.796 . 5.597 4.411 4.411 4.411 . 0 0 "[ ]" 1
276 1 30 TRP HB2 1 93 LEU HB3 2.464 . 3.223 3.248 3.248 3.248 0.025 1 0 "[ ]" 1
277 1 30 TRP HB2 1 93 LEU MD1 2.891 . 3.936 2.568 2.568 2.568 . 0 0 "[ ]" 1
278 1 30 TRP HB2 1 93 LEU MD2 2.793 . 3.768 2.027 2.027 2.027 . 0 0 "[ ]" 1
279 1 30 TRP HB2 1 94 VAL H 3.965 . 5.930 5.289 5.289 5.289 . 0 0 "[ ]" 1
280 1 30 TRP HB3 1 31 LEU H 3.083 . 4.271 3.322 3.322 3.322 . 0 0 "[ ]" 1
281 1 30 TRP HB3 1 93 LEU HB2 3.624 . 5.265 3.392 3.392 3.392 . 0 0 "[ ]" 1
282 1 30 TRP HB3 1 93 LEU HB3 3.431 . 4.902 2.222 2.222 2.222 . 0 0 "[ ]" 1
283 1 30 TRP HB3 1 93 LEU MD1 2.838 . 3.845 2.657 2.657 2.657 . 0 0 "[ ]" 1
284 1 30 TRP HB3 1 93 LEU MD2 2.555 . 3.371 2.581 2.581 2.581 . 0 0 "[ ]" 1
285 1 30 TRP HB3 1 94 VAL H 3.400 . 4.845 4.199 4.199 4.199 . 0 0 "[ ]" 1
286 1 31 LEU H 1 31 LEU HB2 2.839 . 3.846 2.749 2.749 2.749 . 0 0 "[ ]" 1
287 1 31 LEU H 1 31 LEU QD 3.255 . 4.579 2.884 2.884 2.884 . 0 0 "[ ]" 1
288 1 31 LEU H 1 31 LEU HG 2.991 . 4.109 1.994 1.994 1.994 . 0 0 "[ ]" 1
289 1 31 LEU H 1 94 VAL H 2.949 . 4.036 2.862 2.862 2.862 . 0 0 "[ ]" 1
290 1 31 LEU H 1 94 VAL MG2 2.403 . 3.125 2.958 2.958 2.958 . 0 0 "[ ]" 1
291 1 31 LEU H 1 96 PHE H 3.124 . 4.344 3.578 3.578 3.578 . 0 0 "[ ]" 1
292 1 31 LEU H 1 95 GLU HA 3.275 . 4.616 3.747 3.747 3.747 . 0 0 "[ ]" 1
293 1 31 LEU HA 1 31 LEU QD 2.089 . 2.635 2.208 2.208 2.208 . 0 0 "[ ]" 1
294 1 31 LEU HA 1 32 LEU H 2.624 . 3.485 2.162 2.162 2.162 . 0 0 "[ ]" 1
295 1 31 LEU HB3 1 31 LEU QD 2.319 . 2.580 2.117 2.117 2.117 . 0 0 "[ ]" 1
296 1 31 LEU HB3 1 32 LEU H 2.891 . 3.936 3.754 3.754 3.754 . 0 0 "[ ]" 1
297 1 31 LEU QD 1 32 LEU H 3.256 . 4.581 4.009 4.009 4.009 . 0 0 "[ ]" 1
298 1 31 LEU QD 1 36 VAL QG 2.048 . 2.572 3.240 3.240 3.240 0.668 1 1 [+] 1
299 1 31 LEU QD 1 94 VAL H 2.977 . 4.085 3.306 3.306 3.306 . 0 0 "[ ]" 1
300 1 31 LEU QD 1 94 VAL HA 3.618 . 5.254 4.743 4.743 4.743 . 0 0 "[ ]" 1
301 1 31 LEU QD 1 94 VAL HA 3.622 . 5.261 5.138 5.138 5.138 . 0 0 "[ ]" 1
302 1 31 LEU QD 1 96 PHE H 3.828 . 5.659 3.390 3.390 3.390 . 0 0 "[ ]" 1
303 1 31 LEU QD 1 96 PHE HB2 3.344 . 4.742 2.370 2.370 2.370 . 0 0 "[ ]" 1
304 1 31 LEU QD 1 96 PHE HD2 2.486 . 3.258 3.227 3.227 3.227 . 0 0 "[ ]" 1
305 1 31 LEU QD 1 97 THR H 4.030 . 6.060 3.130 3.130 3.130 . 0 0 "[ ]" 1
306 1 31 LEU QD 1 100 ILE HG13 2.648 . 3.525 3.377 3.377 3.377 . 0 0 "[ ]" 1
307 1 31 LEU QD 1 100 ILE MG 2.430 . 3.168 2.320 2.320 2.320 . 0 0 "[ ]" 1
308 1 31 LEU HG 1 94 VAL H 3.031 . 4.179 3.555 3.555 3.555 . 0 0 "[ ]" 1
309 1 31 LEU HG 1 96 PHE H 2.964 . 4.062 3.174 3.174 3.174 . 0 0 "[ ]" 1
310 1 31 LEU HG 1 96 PHE HB2 3.108 . 4.316 3.606 3.606 3.606 . 0 0 "[ ]" 1
311 1 31 LEU HG 1 96 PHE HB3 3.438 . 4.916 2.267 2.267 2.267 . 0 0 "[ ]" 1
312 1 32 LEU H 1 32 LEU HB2 2.702 . 3.614 2.041 2.041 2.041 . 0 0 "[ ]" 1
313 1 32 LEU H 1 32 LEU HB3 3.192 . 4.466 3.039 3.039 3.039 . 0 0 "[ ]" 1
314 1 32 LEU H 1 32 LEU MD1 2.484 . 3.255 3.174 3.174 3.174 . 0 0 "[ ]" 1
315 1 32 LEU H 1 32 LEU MD1 3.166 . 4.419 2.540 2.540 2.540 . 0 0 "[ ]" 1
316 1 32 LEU H 1 32 LEU MD2 3.348 . 4.750 4.185 4.185 4.185 . 0 0 "[ ]" 1
317 1 32 LEU H 1 32 LEU MD2 3.306 . 4.672 3.936 3.936 3.936 . 0 0 "[ ]" 1
318 1 32 LEU H 1 35 ASP H 3.386 . 4.819 4.772 4.772 4.772 . 0 0 "[ ]" 1
319 1 32 LEU HA 1 32 LEU HB3 2.225 . 2.844 2.407 2.407 2.407 . 0 0 "[ ]" 1
320 1 32 LEU HA 1 32 LEU MD1 2.284 . 2.936 2.286 2.286 2.286 . 0 0 "[ ]" 1
321 1 32 LEU HA 1 32 LEU MD2 2.821 . 3.815 3.474 3.474 3.474 . 0 0 "[ ]" 1
322 1 32 LEU HA 1 32 LEU MD2 2.824 . 3.821 3.644 3.644 3.644 . 0 0 "[ ]" 1
323 1 32 LEU HA 1 33 LEU H 2.334 . 3.015 2.031 2.031 2.031 . 0 0 "[ ]" 1
324 1 32 LEU HA 1 33 LEU HA 3.132 . 4.358 3.635 3.635 3.635 . 0 0 "[ ]" 1
325 1 32 LEU HA 1 33 LEU HA 3.136 . 4.365 3.873 3.873 3.873 . 0 0 "[ ]" 1
326 1 32 LEU HA 1 33 LEU HA 3.145 . 4.382 4.210 4.210 4.210 . 0 0 "[ ]" 1
327 1 32 LEU HA 1 34 SER H 2.988 . 4.104 3.380 3.380 3.380 . 0 0 "[ ]" 1
328 1 32 LEU HA 1 34 SER H 3.101 . 4.303 3.185 3.185 3.185 . 0 0 "[ ]" 1
329 1 32 LEU HA 1 93 LEU MD1 3.049 . 4.211 3.836 3.836 3.836 . 0 0 "[ ]" 1
330 1 32 LEU HA 1 92 ASP HA 3.010 . 4.143 4.314 4.314 4.314 0.171 1 0 "[ ]" 1
331 1 32 LEU HA 1 92 ASP H 2.906 . 3.962 3.938 3.938 3.938 . 0 0 "[ ]" 1
332 1 32 LEU HA 1 92 ASP HB2 3.481 . 4.996 4.662 4.662 4.662 . 0 0 "[ ]" 1
333 1 32 LEU HA 1 92 ASP HB3 3.435 . 4.910 5.011 5.011 5.011 0.101 1 0 "[ ]" 1
334 1 32 LEU HA 1 93 LEU H 3.570 . 5.163 4.536 4.536 4.536 . 0 0 "[ ]" 1
335 1 32 LEU HA 1 93 LEU HA 2.841 . 3.850 2.200 2.200 2.200 . 0 0 "[ ]" 1
336 1 32 LEU HA 1 93 LEU MD2 2.282 . 2.808 1.881 1.881 1.881 . 0 0 "[ ]" 1
337 1 32 LEU HA 1 94 VAL H 3.345 . 4.744 3.892 3.892 3.892 . 0 0 "[ ]" 1
338 1 32 LEU HB2 1 36 VAL H 3.404 . 4.852 4.713 4.713 4.713 . 0 0 "[ ]" 1
339 1 32 LEU HB2 1 35 ASP H 2.804 . 3.787 3.860 3.860 3.860 0.073 1 0 "[ ]" 1
340 1 32 LEU HB2 1 93 LEU HA 3.360 . 4.771 4.793 4.793 4.793 0.022 1 0 "[ ]" 1
341 1 32 LEU HB3 1 33 LEU H 3.169 . 4.424 4.009 4.009 4.009 . 0 0 "[ ]" 1
342 1 32 LEU HB3 1 34 SER H 2.675 . 3.570 3.561 3.561 3.561 . 0 0 "[ ]" 1
343 1 32 LEU HB3 1 35 ASP H 2.843 . 3.853 2.134 2.134 2.134 . 0 0 "[ ]" 1
344 1 32 LEU HB3 1 36 VAL H 3.093 . 4.289 3.684 3.684 3.684 . 0 0 "[ ]" 1
345 1 32 LEU HB3 1 92 ASP HB2 3.674 . 5.361 5.097 5.097 5.097 . 0 0 "[ ]" 1
346 1 32 LEU MD1 1 34 SER H 3.259 . 4.586 3.888 3.888 3.888 . 0 0 "[ ]" 1
347 1 32 LEU MD1 1 83 PHE QE 2.389 . 3.102 3.078 3.078 3.078 . 0 0 "[ ]" 1
348 1 32 LEU MD1 1 91 LEU HB2 2.831 . 3.833 2.288 2.288 2.288 . 0 0 "[ ]" 1
349 1 32 LEU MD1 1 91 LEU HB2 2.426 . 3.162 2.314 2.314 2.314 . 0 0 "[ ]" 1
350 1 32 LEU MD1 1 91 LEU HB3 2.549 . 3.361 2.028 2.028 2.028 . 0 0 "[ ]" 1
351 1 32 LEU MD2 1 92 ASP HB3 2.992 . 4.111 2.661 2.661 2.661 . 0 0 "[ ]" 1
352 1 32 LEU MD2 1 92 ASP HB3 2.995 . 4.116 4.187 4.187 4.187 0.071 1 0 "[ ]" 1
353 1 33 LEU H 1 33 LEU HA 2.844 . 3.855 2.793 2.793 2.793 . 0 0 "[ ]" 1
354 1 33 LEU H 1 33 LEU HB2 2.655 . 3.536 2.395 2.395 2.395 . 0 0 "[ ]" 1
355 1 33 LEU H 1 33 LEU HB3 2.736 . 3.672 2.449 2.449 2.449 . 0 0 "[ ]" 1
356 1 33 LEU H 1 33 LEU MD2 3.204 . 4.487 3.886 3.886 3.886 . 0 0 "[ ]" 1
357 1 33 LEU H 1 34 SER H 2.728 . 3.658 2.583 2.583 2.583 . 0 0 "[ ]" 1
358 1 33 LEU H 1 92 ASP H 4.050 . 6.100 4.022 4.022 4.022 . 0 0 "[ ]" 1
359 1 33 LEU H 1 92 ASP HB2 3.450 . 4.938 3.336 3.336 3.336 . 0 0 "[ ]" 1
360 1 33 LEU H 1 93 LEU HA 2.756 . 3.706 1.990 1.990 1.990 . 0 0 "[ ]" 1
361 1 33 LEU H 1 93 LEU MD2 2.911 . 3.452 3.375 3.375 3.375 . 0 0 "[ ]" 1
362 1 33 LEU H 1 94 VAL H 2.768 . 3.726 3.504 3.504 3.504 . 0 0 "[ ]" 1
363 1 33 LEU HA 1 33 LEU HB2 2.418 . 3.149 2.360 2.360 2.360 . 0 0 "[ ]" 1
364 1 33 LEU HA 1 33 LEU MD2 2.324 . 2.574 1.825 1.825 1.825 . 0 0 "[ ]" 1
365 1 33 LEU HA 1 36 VAL H 2.960 . 4.055 3.234 3.234 3.234 . 0 0 "[ ]" 1
366 1 33 LEU HA 1 36 VAL QG 2.410 . 3.136 1.695 1.695 1.695 . 0 0 "[ ]" 1
367 1 33 LEU HA 1 92 ASP HB2 3.782 . 5.570 4.586 4.586 4.586 . 0 0 "[ ]" 1
368 1 33 LEU HA 1 94 VAL HA 3.347 . 4.748 4.110 4.110 4.110 . 0 0 "[ ]" 1
369 1 33 LEU HA 1 94 VAL MG1 2.406 . 3.130 2.954 2.954 2.954 . 0 0 "[ ]" 1
370 1 33 LEU HA 1 94 VAL MG2 2.405 . 3.128 3.121 3.121 3.121 . 0 0 "[ ]" 1
371 1 33 LEU HB2 1 35 ASP H 2.998 . 4.121 3.308 3.308 3.308 . 0 0 "[ ]" 1
372 1 33 LEU HB2 1 33 LEU MD2 1.938 . 2.408 2.441 2.441 2.441 0.033 1 0 "[ ]" 1
373 1 33 LEU HB2 1 34 SER H 2.902 . 3.954 3.908 3.908 3.908 . 0 0 "[ ]" 1
374 1 33 LEU HB2 1 94 VAL MG2 2.670 . 3.561 3.450 3.450 3.450 . 0 0 "[ ]" 1
375 1 33 LEU HB3 1 34 SER H 2.629 . 3.493 2.746 2.746 2.746 . 0 0 "[ ]" 1
376 1 33 LEU HB3 1 92 ASP HB2 2.990 . 4.107 1.860 1.860 1.860 0.015 1 0 "[ ]" 1
377 1 33 LEU HB3 1 92 ASP HB3 2.919 . 3.984 1.744 1.744 1.744 0.110 1 0 "[ ]" 1
378 1 33 LEU MD1 1 34 SER H 3.073 . 4.254 3.428 3.428 3.428 . 0 0 "[ ]" 1
379 1 33 LEU MD1 1 37 LEU H 2.947 . 4.033 1.861 1.861 1.861 . 1 0 "[ ]" 1
380 1 33 LEU MD1 1 92 ASP H 3.353 . 4.759 4.620 4.620 4.620 . 0 0 "[ ]" 1
381 1 33 LEU MD1 1 92 ASP HB2 3.146 . 4.383 2.614 2.614 2.614 . 0 0 "[ ]" 1
382 1 33 LEU MD1 1 92 ASP HB3 2.287 . 2.941 2.744 2.744 2.744 . 0 0 "[ ]" 1
383 1 33 LEU MD2 1 33 LEU HG 2.180 . 2.774 2.082 2.082 2.082 . 0 0 "[ ]" 1
384 1 33 LEU MD2 1 34 SER H 3.303 . 4.667 4.311 4.311 4.311 . 0 0 "[ ]" 1
385 1 33 LEU MD2 1 36 VAL H 3.339 . 4.733 4.129 4.129 4.129 . 0 0 "[ ]" 1
386 1 33 LEU MD2 1 36 VAL QG 2.191 . 2.791 1.877 1.877 1.877 . 0 0 "[ ]" 1
387 1 33 LEU MD2 1 37 LEU H 3.113 . 4.324 3.075 3.075 3.075 . 0 0 "[ ]" 1
388 1 33 LEU MD2 1 37 LEU HB2 2.377 . 3.084 2.806 2.806 2.806 . 0 0 "[ ]" 1
389 1 33 LEU MD2 1 37 LEU MD2 2.218 . 2.833 1.680 1.680 1.680 . 0 0 "[ ]" 1
390 1 33 LEU MD2 1 37 LEU HG 2.472 . 3.236 2.203 2.203 2.203 . 0 0 "[ ]" 1
391 1 33 LEU MD2 1 56 ILE MD 2.433 . 3.173 2.444 2.444 2.444 . 0 0 "[ ]" 1
392 1 33 LEU MD2 1 92 ASP HB2 3.608 . 5.235 4.503 4.503 4.503 . 0 0 "[ ]" 1
393 1 33 LEU MD2 1 94 VAL HA 3.570 . 5.163 5.120 5.120 5.120 . 0 0 "[ ]" 1
394 1 33 LEU MD2 1 94 VAL MG2 2.319 . 2.991 3.016 3.016 3.016 0.025 1 0 "[ ]" 1
395 1 34 SER H 1 35 ASP H 2.605 . 3.453 2.576 2.576 2.576 . 0 0 "[ ]" 1
396 1 34 SER H 1 36 VAL H 3.273 . 4.612 4.437 4.437 4.437 . 0 0 "[ ]" 1
397 1 34 SER H 1 36 VAL QG 3.139 . 4.371 4.018 4.018 4.018 . 0 0 "[ ]" 1
398 1 34 SER H 1 92 ASP HB2 3.409 . 4.862 2.639 2.639 2.639 . 0 0 "[ ]" 1
399 1 34 SER HA 1 35 ASP H 3.371 . 4.791 3.491 3.491 3.491 . 0 0 "[ ]" 1
400 1 34 SER HA 1 38 LYS H 3.148 . 4.387 3.290 3.290 3.290 . 0 0 "[ ]" 1
401 1 35 ASP H 1 35 ASP HA 2.566 . 3.389 2.866 2.866 2.866 . 0 0 "[ ]" 1
402 1 35 ASP H 1 35 ASP HB2 2.634 . 3.502 2.666 2.666 2.666 . 0 0 "[ ]" 1
403 1 35 ASP H 1 35 ASP HB3 2.773 . 3.734 2.476 2.476 2.476 . 0 0 "[ ]" 1
404 1 35 ASP H 1 36 VAL H 2.528 . 3.327 2.645 2.645 2.645 . 0 0 "[ ]" 1
405 1 35 ASP H 1 37 LEU H 3.402 . 4.849 3.909 3.909 3.909 . 0 0 "[ ]" 1
406 1 35 ASP H 1 93 LEU HA 3.657 . 5.328 5.630 5.630 5.630 0.302 1 0 "[ ]" 1
407 1 35 ASP HA 1 35 ASP HB3 2.358 . 3.053 3.030 3.030 3.030 . 0 0 "[ ]" 1
408 1 35 ASP HA 1 35 ASP HB3 2.345 . 3.033 2.691 2.691 2.691 . 0 0 "[ ]" 1
409 1 35 ASP HA 1 36 VAL H 3.122 . 4.341 3.587 3.587 3.587 . 0 0 "[ ]" 1
410 1 35 ASP HA 1 38 LYS H 3.053 . 4.218 3.772 3.772 3.772 . 0 0 "[ ]" 1
411 1 35 ASP HA 1 38 LYS QB 2.340 . 3.024 3.039 3.039 3.039 0.015 1 0 "[ ]" 1
412 1 35 ASP HB2 1 36 VAL H 2.999 . 4.123 3.745 3.745 3.745 . 0 0 "[ ]" 1
413 1 35 ASP HB3 1 36 VAL H 3.147 . 4.385 2.305 2.305 2.305 . 0 0 "[ ]" 1
414 1 35 ASP HB3 1 36 VAL QG 2.492 . 3.268 3.068 3.068 3.068 . 0 0 "[ ]" 1
415 1 35 ASP HB3 1 36 VAL QG 2.489 . 3.263 3.052 3.052 3.052 . 0 0 "[ ]" 1
416 1 36 VAL H 1 36 VAL HA 2.783 . 3.751 2.788 2.788 2.788 . 0 0 "[ ]" 1
417 1 36 VAL H 1 36 VAL QG 2.442 . 3.099 1.839 1.839 1.839 0.038 1 0 "[ ]" 1
418 1 36 VAL H 1 37 LEU H 2.527 . 3.325 2.755 2.755 2.755 . 0 0 "[ ]" 1
419 1 36 VAL H 1 39 LYS HE2 2.499 . 3.279 3.327 3.327 3.327 0.048 1 0 "[ ]" 1
420 1 36 VAL H 1 94 VAL MG2 3.330 . 4.716 4.721 4.721 4.721 0.005 1 0 "[ ]" 1
421 1 36 VAL HA 1 36 VAL QG 2.042 . 2.563 2.208 2.208 2.208 . 0 0 "[ ]" 1
422 1 36 VAL HA 1 37 LEU H 3.315 . 4.689 3.517 3.517 3.517 . 0 0 "[ ]" 1
423 1 36 VAL HA 1 39 LYS H 3.252 . 4.574 3.478 3.478 3.478 . 0 0 "[ ]" 1
424 1 36 VAL HB 1 36 VAL QG 2.050 . 2.575 1.892 1.892 1.892 . 0 0 "[ ]" 1
425 1 36 VAL HB 1 37 LEU H 2.798 . 3.777 3.545 3.545 3.545 . 0 0 "[ ]" 1
426 1 36 VAL HB 1 37 LEU MD2 2.472 . 3.236 3.106 3.106 3.106 . 0 0 "[ ]" 1
427 1 36 VAL QG 1 37 LEU H 2.985 . 4.099 1.867 1.867 1.867 0.010 1 0 "[ ]" 1
428 1 36 VAL QG 1 37 LEU HB2 2.443 . 3.189 3.102 3.102 3.102 . 0 0 "[ ]" 1
429 1 36 VAL QG 1 39 LYS H 3.250 . 4.571 4.115 4.115 4.115 . 0 0 "[ ]" 1
430 1 36 VAL QG 1 93 LEU HA 3.479 . 4.992 3.736 3.736 3.736 . 0 0 "[ ]" 1
431 1 36 VAL QG 1 93 LEU HA 3.482 . 4.998 4.664 4.664 4.664 . 0 0 "[ ]" 1
432 1 37 LEU H 1 37 LEU HA 2.625 . 3.487 2.824 2.824 2.824 . 0 0 "[ ]" 1
433 1 37 LEU H 1 37 LEU HB2 2.343 . 3.029 2.114 2.114 2.114 . 0 0 "[ ]" 1
434 1 37 LEU H 1 37 LEU HB3 2.803 . 3.785 3.398 3.398 3.398 . 0 0 "[ ]" 1
435 1 37 LEU H 1 37 LEU HB3 2.768 . 3.726 3.311 3.311 3.311 . 0 0 "[ ]" 1
436 1 37 LEU H 1 37 LEU MD2 2.308 . 2.974 2.460 2.460 2.460 . 0 0 "[ ]" 1
437 1 37 LEU H 1 37 LEU HG 3.355 . 4.762 3.853 3.853 3.853 . 0 0 "[ ]" 1
438 1 37 LEU H 1 38 LYS H 2.694 . 3.601 2.647 2.647 2.647 . 0 0 "[ ]" 1
439 1 37 LEU HA 1 37 LEU MD1 2.407 . 3.131 2.435 2.435 2.435 . 0 0 "[ ]" 1
440 1 37 LEU HA 1 37 LEU MD2 2.093 . 2.641 1.757 1.757 1.757 . 0 0 "[ ]" 1
441 1 37 LEU HB2 1 38 LYS H 2.526 . 3.323 3.208 3.208 3.208 . 0 0 "[ ]" 1
442 1 37 LEU HB2 1 92 ASP HB2 3.677 . 5.368 5.521 5.521 5.521 0.153 1 0 "[ ]" 1
443 1 37 LEU HB3 1 37 LEU MD2 2.267 . 2.909 3.093 3.093 3.093 0.184 1 0 "[ ]" 1
444 1 37 LEU HB3 1 41 LYS H 3.156 . 4.401 3.856 3.856 3.856 . 0 0 "[ ]" 1
445 1 37 LEU HB3 1 41 LYS H 3.197 . 4.474 4.087 4.087 4.087 . 0 0 "[ ]" 1
446 1 37 LEU HB3 1 42 MET H 3.277 . 4.620 4.357 4.357 4.357 . 0 0 "[ ]" 1
447 1 37 LEU MD1 1 38 LYS H 3.342 . 4.738 4.735 4.735 4.735 . 0 0 "[ ]" 1
448 1 37 LEU MD2 1 47 PHE H 2.952 . 4.041 3.931 3.931 3.931 . 0 0 "[ ]" 1
449 1 37 LEU MD2 1 47 PHE HB2 2.426 . 3.162 1.879 1.879 1.879 . 0 0 "[ ]" 1
450 1 37 LEU MD2 1 47 PHE HB3 2.416 . 3.146 2.902 2.902 2.902 . 0 0 "[ ]" 1
451 1 38 LYS H 1 38 LYS HA 2.458 . 3.213 2.836 2.836 2.836 . 0 0 "[ ]" 1
452 1 38 LYS H 1 38 LYS HB2 2.130 . 2.697 2.349 2.349 2.349 . 0 0 "[ ]" 1
453 1 38 LYS H 1 38 LYS QB 2.244 . 2.873 2.320 2.320 2.320 . 0 0 "[ ]" 1
454 1 38 LYS HA 1 38 LYS QB 2.137 . 2.708 2.438 2.438 2.438 . 0 0 "[ ]" 1
455 1 38 LYS HA 1 40 LEU H 3.222 . 4.520 4.140 4.140 4.140 . 0 0 "[ ]" 1
456 1 38 LYS HA 1 41 LYS H 3.126 . 4.347 3.270 3.270 3.270 . 0 0 "[ ]" 1
457 1 39 LYS H 1 39 LYS HA 2.641 . 3.513 2.875 2.875 2.875 . 0 0 "[ ]" 1
458 1 39 LYS H 1 39 LYS HB2 2.170 . 2.758 2.433 2.433 2.433 . 0 0 "[ ]" 1
459 1 39 LYS H 1 40 LEU H 2.641 . 3.513 2.388 2.388 2.388 . 0 0 "[ ]" 1
460 1 39 LYS HA 1 39 LYS QB 2.178 . 2.771 2.370 2.370 2.370 . 0 0 "[ ]" 1
461 1 39 LYS QB 1 40 LEU H 2.586 . 3.422 2.399 2.399 2.399 . 0 0 "[ ]" 1
462 1 39 LYS QB 1 41 LYS H 3.221 . 4.518 4.313 4.313 4.313 . 0 0 "[ ]" 1
463 1 39 LYS HB3 1 40 LEU H 2.578 . 3.409 3.525 3.525 3.525 0.116 1 0 "[ ]" 1
464 1 40 LEU H 1 40 LEU HA 2.717 . 3.640 2.827 2.827 2.827 . 0 0 "[ ]" 1
465 1 40 LEU H 1 40 LEU HA 2.346 . 3.034 2.321 2.321 2.321 . 0 0 "[ ]" 1
466 1 40 LEU H 1 40 LEU HB2 2.530 . 3.330 2.634 2.634 2.634 . 0 0 "[ ]" 1
467 1 40 LEU H 1 40 LEU QD 2.858 . 3.879 2.765 2.765 2.765 . 0 0 "[ ]" 1
468 1 40 LEU H 1 40 LEU MD2 2.895 . 3.943 2.875 2.875 2.875 . 0 0 "[ ]" 1
469 1 40 LEU H 1 41 LYS HA 3.198 . 4.476 4.571 4.571 4.571 0.095 1 0 "[ ]" 1
470 1 40 LEU HA 1 40 LEU HB3 2.346 . 3.034 2.398 2.398 2.398 . 0 0 "[ ]" 1
471 1 40 LEU HA 1 40 LEU HG 2.467 . 3.228 3.289 3.289 3.289 0.061 1 0 "[ ]" 1
472 1 40 LEU HA 1 41 LYS H 3.216 . 4.509 3.409 3.409 3.409 . 0 0 "[ ]" 1
473 1 40 LEU QB 1 41 LYS H 2.875 . 3.908 2.414 2.414 2.414 . 0 0 "[ ]" 1
474 1 40 LEU QB 1 42 MET H 2.629 . 3.493 2.160 2.160 2.160 . 0 0 "[ ]" 1
475 1 40 LEU MD1 1 43 SER H 2.987 . 4.102 3.674 3.674 3.674 . 0 0 "[ ]" 1
476 1 40 LEU MD1 1 46 ILE H 3.147 . 4.385 4.538 4.538 4.538 0.153 1 0 "[ ]" 1
477 1 40 LEU HG 1 41 LYS H 2.656 . 3.538 3.701 3.701 3.701 0.163 1 0 "[ ]" 1
478 1 40 LEU HG 1 42 MET H 3.220 . 4.516 4.510 4.510 4.510 . 0 0 "[ ]" 1
479 1 41 LYS H 1 41 LYS HA 2.173 . 2.763 2.262 2.262 2.262 . 0 0 "[ ]" 1
480 1 41 LYS H 1 41 LYS HB2 2.932 . 4.006 3.624 3.624 3.624 . 0 0 "[ ]" 1
481 1 41 LYS H 1 41 LYS HB3 3.043 . 4.201 4.114 4.114 4.114 . 0 0 "[ ]" 1
482 1 41 LYS H 1 42 MET H 2.650 . 3.528 2.530 2.530 2.530 . 0 0 "[ ]" 1
483 1 41 LYS HA 1 41 LYS HB2 2.473 . 3.238 3.026 3.026 3.026 . 0 0 "[ ]" 1
484 1 41 LYS HA 1 41 LYS HB3 2.196 . 2.799 2.483 2.483 2.483 . 0 0 "[ ]" 1
485 1 41 LYS HA 1 42 MET H 2.341 . 3.026 2.961 2.961 2.961 . 0 0 "[ ]" 1
486 1 41 LYS HB2 1 42 MET H 3.228 . 4.530 4.058 4.058 4.058 . 0 0 "[ ]" 1
487 1 42 MET H 1 42 MET HA 2.661 . 3.546 2.937 2.937 2.937 . 0 0 "[ ]" 1
488 1 42 MET H 1 42 MET HB2 2.848 . 3.862 2.633 2.633 2.633 . 0 0 "[ ]" 1
489 1 42 MET H 1 43 SER H 3.284 . 4.632 4.332 4.332 4.332 . 0 0 "[ ]" 1
490 1 42 MET H 1 46 ILE HB 3.327 . 4.711 4.814 4.814 4.814 0.103 1 0 "[ ]" 1
491 1 42 MET HA 1 42 MET HB2 2.545 . 3.355 3.028 3.028 3.028 . 0 0 "[ ]" 1
492 1 42 MET HA 1 42 MET HB3 2.668 . 3.558 2.498 2.498 2.498 . 0 0 "[ ]" 1
493 1 42 MET HA 1 43 SER H 2.096 . 2.645 2.661 2.661 2.661 0.016 1 0 "[ ]" 1
494 1 42 MET HB2 1 43 SER H 2.906 . 3.962 3.104 3.104 3.104 . 0 0 "[ ]" 1
495 1 42 MET HB3 1 43 SER H 3.109 . 4.317 1.858 1.858 1.858 0.043 1 0 "[ ]" 1
496 1 43 SER H 1 43 SER HA 2.475 . 3.241 2.832 2.832 2.832 . 0 0 "[ ]" 1
497 1 43 SER H 1 43 SER HB2 2.969 . 4.071 2.632 2.632 2.632 . 0 0 "[ ]" 1
498 1 43 SER H 1 43 SER HB3 2.713 . 3.633 2.412 2.412 2.412 . 0 0 "[ ]" 1
499 1 43 SER H 1 46 ILE HB 2.727 . 3.657 3.691 3.691 3.691 0.034 1 0 "[ ]" 1
500 1 43 SER H 1 46 ILE MG 3.090 . 4.283 4.297 4.297 4.297 0.014 1 0 "[ ]" 1
501 1 43 SER HA 1 43 SER HB3 2.299 . 2.960 3.032 3.032 3.032 0.072 1 0 "[ ]" 1
502 1 43 SER HB3 1 46 ILE H 3.362 . 4.775 3.069 3.069 3.069 . 0 0 "[ ]" 1
503 1 45 ARG HA 1 45 ARG HB2 2.183 . 2.778 2.467 2.467 2.467 . 0 0 "[ ]" 1
504 1 45 ARG HA 1 45 ARG HB3 2.499 . 2.922 3.000 3.000 3.000 0.078 1 0 "[ ]" 1
505 1 45 ARG HA 1 45 ARG HB3 2.273 . 2.919 2.850 2.850 2.850 . 0 0 "[ ]" 1
506 1 45 ARG HA 1 46 ILE H 2.970 . 4.073 3.443 3.443 3.443 . 0 0 "[ ]" 1
507 1 45 ARG HA 1 47 PHE H 2.993 . 4.113 4.188 4.188 4.188 0.075 1 0 "[ ]" 1
508 1 45 ARG HA 1 48 ARG H 2.910 . 3.968 3.403 3.403 3.403 . 0 0 "[ ]" 1
509 1 45 ARG HA 1 49 SER H 2.991 . 4.109 3.922 3.922 3.922 . 0 0 "[ ]" 1
510 1 45 ARG HB2 1 45 ARG HD3 2.486 . 3.258 3.143 3.143 3.143 . 0 0 "[ ]" 1
511 1 45 ARG HB2 1 46 ILE H 2.947 . 4.032 4.124 4.124 4.124 0.092 1 0 "[ ]" 1
512 1 45 ARG HB3 1 46 ILE H 2.871 . 3.901 3.105 3.105 3.105 . 0 0 "[ ]" 1
513 1 45 ARG HD2 1 49 SER H 3.321 . 4.700 4.733 4.733 4.733 0.033 1 0 "[ ]" 1
514 1 46 ILE H 1 46 ILE HA 2.697 . 3.606 2.867 2.867 2.867 . 0 0 "[ ]" 1
515 1 46 ILE H 1 46 ILE HB 2.361 . 3.058 2.579 2.579 2.579 . 0 0 "[ ]" 1
516 1 46 ILE H 1 46 ILE MD 3.107 . 4.313 2.928 2.928 2.928 . 0 0 "[ ]" 1
517 1 46 ILE H 1 46 ILE HG12 2.767 . 3.724 2.277 2.277 2.277 . 0 0 "[ ]" 1
518 1 46 ILE H 1 46 ILE HG13 2.741 . 3.680 3.764 3.764 3.764 0.084 1 0 "[ ]" 1
519 1 46 ILE H 1 47 PHE H 2.547 . 3.358 2.328 2.328 2.328 . 0 0 "[ ]" 1
520 1 46 ILE H 1 47 PHE HB2 3.324 . 4.705 4.677 4.677 4.677 . 0 0 "[ ]" 1
521 1 46 ILE HA 1 46 ILE MD 2.202 . 2.808 1.842 1.842 1.842 . 0 0 "[ ]" 1
522 1 46 ILE HA 1 46 ILE MG 2.285 . 2.711 2.359 2.359 2.359 . 0 0 "[ ]" 1
523 1 46 ILE HA 1 47 PHE H 3.071 . 4.250 3.440 3.440 3.440 . 0 0 "[ ]" 1
524 1 46 ILE HB 1 47 PHE H 2.687 . 3.590 2.641 2.641 2.641 . 0 0 "[ ]" 1
525 1 46 ILE MD 1 46 ILE HG12 2.109 . 2.665 2.078 2.078 2.078 . 0 0 "[ ]" 1
526 1 46 ILE MD 1 46 ILE HG13 2.057 . 2.586 2.068 2.068 2.068 . 0 0 "[ ]" 1
527 1 46 ILE HG13 1 46 ILE MG 2.688 . 3.591 2.225 2.225 2.225 . 0 0 "[ ]" 1
528 1 46 ILE HG13 1 47 PHE H 3.388 . 4.823 4.965 4.965 4.965 0.142 1 0 "[ ]" 1
529 1 46 ILE MG 1 47 PHE H 2.938 . 4.017 3.596 3.596 3.596 . 0 0 "[ ]" 1
530 1 46 ILE MG 1 50 ASN HD21 2.999 . 4.123 2.977 2.977 2.977 . 0 0 "[ ]" 1
531 1 47 PHE H 1 47 PHE HA 2.673 . 3.566 2.768 2.768 2.768 . 0 0 "[ ]" 1
532 1 47 PHE H 1 47 PHE HB2 2.555 . 3.371 2.542 2.542 2.542 . 0 0 "[ ]" 1
533 1 47 PHE H 1 47 PHE HB3 2.537 . 3.341 2.571 2.571 2.571 . 0 0 "[ ]" 1
534 1 47 PHE H 1 48 ARG H 2.831 . 3.833 3.066 3.066 3.066 . 0 0 "[ ]" 1
535 1 47 PHE HA 1 48 ARG H 3.209 . 4.496 3.587 3.587 3.587 . 0 0 "[ ]" 1
536 1 47 PHE HA 1 51 PHE H 2.895 . 3.943 3.628 3.628 3.628 . 0 0 "[ ]" 1
537 1 47 PHE HA 1 51 PHE H 2.858 . 3.879 3.226 3.226 3.226 . 0 0 "[ ]" 1
538 1 47 PHE HB2 1 48 ARG H 2.745 . 3.687 3.670 3.670 3.670 . 0 0 "[ ]" 1
539 1 47 PHE HB3 1 48 ARG H 3.011 . 4.144 2.174 2.174 2.174 . 0 0 "[ ]" 1
540 1 48 ARG H 1 48 ARG HA 2.481 . 3.251 2.828 2.828 2.828 . 0 0 "[ ]" 1
541 1 48 ARG H 1 48 ARG HB2 2.763 . 3.717 2.386 2.386 2.386 . 0 0 "[ ]" 1
542 1 48 ARG H 1 48 ARG HB3 2.488 . 3.262 2.760 2.760 2.760 . 0 0 "[ ]" 1
543 1 48 ARG H 1 49 SER H 2.558 . 3.376 2.647 2.647 2.647 . 0 0 "[ ]" 1
544 1 48 ARG HA 1 48 ARG HB3 2.459 . 3.215 3.007 3.007 3.007 . 0 0 "[ ]" 1
545 1 48 ARG HA 1 50 ASN H 2.813 . 3.802 3.559 3.559 3.559 . 0 0 "[ ]" 1
546 1 48 ARG HA 1 50 ASN H 2.778 . 3.742 2.824 2.824 2.824 . 0 0 "[ ]" 1
547 1 48 ARG HA 1 51 PHE H 3.095 . 4.293 3.300 3.300 3.300 . 0 0 "[ ]" 1
548 1 48 ARG HB2 1 49 SER H 2.863 . 3.887 3.904 3.904 3.904 0.017 1 0 "[ ]" 1
549 1 48 ARG HB3 1 49 SER H 2.693 . 3.600 2.894 2.894 2.894 . 0 0 "[ ]" 1
550 1 48 ARG HB3 1 50 ASN H 3.362 . 4.774 4.193 4.193 4.193 . 0 0 "[ ]" 1
551 1 49 SER H 1 49 SER HA 2.226 . 2.845 2.827 2.827 2.827 . 0 0 "[ ]" 1
552 1 49 SER H 1 49 SER HB2 2.263 . 2.831 2.609 2.609 2.609 . 0 0 "[ ]" 1
553 1 49 SER H 1 49 SER QB 2.214 . 2.827 2.240 2.240 2.240 . 0 0 "[ ]" 1
554 1 49 SER H 1 49 SER HB3 2.002 . 2.503 2.439 2.439 2.439 . 0 0 "[ ]" 1
555 1 49 SER H 1 50 ASN H 2.470 . 3.232 2.561 2.561 2.561 . 0 0 "[ ]" 1
556 1 49 SER H 1 50 ASN HB2 3.273 . 4.612 4.617 4.617 4.617 0.005 1 0 "[ ]" 1
557 1 49 SER H 1 51 PHE H 3.324 . 4.705 4.154 4.154 4.154 . 0 0 "[ ]" 1
558 1 49 SER HA 1 49 SER HB2 1.910 . 2.366 2.413 2.413 2.413 0.047 1 0 "[ ]" 1
559 1 49 SER HA 1 49 SER QB 1.908 . 2.363 2.322 2.322 2.322 . 0 0 "[ ]" 1
560 1 49 SER HA 1 50 ASN H 2.587 . 3.423 2.772 2.772 2.772 . 0 0 "[ ]" 1
561 1 50 ASN H 1 50 ASN HA 2.475 . 3.241 2.915 2.915 2.915 . 0 0 "[ ]" 1
562 1 50 ASN H 1 50 ASN HB2 2.574 . 3.402 2.398 2.398 2.398 . 0 0 "[ ]" 1
563 1 50 ASN H 1 50 ASN HB3 2.772 . 3.732 2.770 2.770 2.770 . 0 0 "[ ]" 1
564 1 50 ASN H 1 50 ASN HD21 3.371 . 4.792 4.601 4.601 4.601 . 0 0 "[ ]" 1
565 1 50 ASN H 1 51 PHE H 2.418 . 3.149 2.285 2.285 2.285 . 0 0 "[ ]" 1
566 1 50 ASN HA 1 50 ASN HB2 2.457 . 3.211 2.640 2.640 2.640 . 0 0 "[ ]" 1
567 1 50 ASN HA 1 50 ASN HB3 2.452 . 3.204 2.992 2.992 2.992 . 0 0 "[ ]" 1
568 1 50 ASN HB2 1 50 ASN HD21 3.140 . 4.372 2.216 2.216 2.216 . 0 0 "[ ]" 1
569 1 50 ASN HB2 1 51 PHE H 2.559 . 3.378 3.428 3.428 3.428 0.050 1 0 "[ ]" 1
570 1 50 ASN HB2 1 51 PHE H 2.605 . 3.454 3.179 3.179 3.179 . 0 0 "[ ]" 1
571 1 50 ASN HB3 1 51 PHE H 3.143 . 4.378 2.384 2.384 2.384 . 0 0 "[ ]" 1
572 1 51 PHE H 1 51 PHE HA 2.926 . 3.996 2.935 2.935 2.935 . 0 0 "[ ]" 1
573 1 51 PHE H 1 51 PHE HB2 2.923 . 3.991 2.788 2.788 2.788 . 0 0 "[ ]" 1
574 1 51 PHE H 1 51 PHE HB3 2.822 . 3.817 3.762 3.762 3.762 . 0 0 "[ ]" 1
575 1 51 PHE H 1 51 PHE QD 2.738 . 3.675 2.890 2.890 2.890 . 0 0 "[ ]" 1
576 1 51 PHE H 1 52 PRO HD3 3.344 . 4.742 3.354 3.354 3.354 . 0 0 "[ ]" 1
577 1 51 PHE H 1 53 ASN HD22 3.348 . 4.749 4.948 4.948 4.948 0.199 1 0 "[ ]" 1
578 1 51 PHE HA 1 51 PHE HB2 2.754 . 3.702 3.012 3.012 3.012 . 0 0 "[ ]" 1
579 1 51 PHE HA 1 52 PRO HD3 2.251 . 2.884 3.006 3.006 3.006 0.122 1 0 "[ ]" 1
580 1 51 PHE HA 1 53 ASN H 3.218 . 4.513 2.893 2.893 2.893 . 0 0 "[ ]" 1
581 1 51 PHE HB2 1 51 PHE QD 2.773 . 3.734 2.305 2.305 2.305 . 0 0 "[ ]" 1
582 1 51 PHE HB2 1 54 VAL H 3.209 . 4.496 4.065 4.065 4.065 . 0 0 "[ ]" 1
583 1 51 PHE HB3 1 54 VAL H 3.289 . 4.641 4.077 4.077 4.077 . 0 0 "[ ]" 1
584 1 52 PRO HA 1 52 PRO HB2 2.119 . 2.681 2.697 2.697 2.697 0.016 1 0 "[ ]" 1
585 1 52 PRO HA 1 52 PRO HB3 2.088 . 2.633 2.309 2.309 2.309 . 0 0 "[ ]" 1
586 1 52 PRO HA 1 53 ASN H 3.120 . 4.337 3.237 3.237 3.237 . 0 0 "[ ]" 1
587 1 52 PRO HA 1 54 VAL H 3.232 . 4.538 3.268 3.268 3.268 . 0 0 "[ ]" 1
588 1 52 PRO HB2 1 53 ASN H 2.990 . 4.107 3.882 3.882 3.882 . 0 0 "[ ]" 1
589 1 52 PRO HD3 1 52 PRO QG 2.396 . 3.114 2.228 2.228 2.228 . 0 0 "[ ]" 1
590 1 52 PRO HD3 1 53 ASN H 3.040 . 4.196 3.807 3.807 3.807 . 0 0 "[ ]" 1
591 1 52 PRO QG 1 53 ASN H 3.007 . 4.137 3.104 3.104 3.104 . 0 0 "[ ]" 1
592 1 52 PRO HG2 1 53 ASN H 2.928 . 4.000 3.171 3.171 3.171 . 0 0 "[ ]" 1
593 1 53 ASN H 1 53 ASN HA 2.572 . 3.399 2.888 2.888 2.888 . 0 0 "[ ]" 1
594 1 53 ASN H 1 53 ASN HB2 2.586 . 3.422 3.413 3.413 3.413 . 0 0 "[ ]" 1
595 1 53 ASN H 1 53 ASN HB3 2.754 . 3.702 3.121 3.121 3.121 . 0 0 "[ ]" 1
596 1 53 ASN H 1 54 VAL H 2.311 . 2.979 2.504 2.504 2.504 . 0 0 "[ ]" 1
597 1 53 ASN H 1 54 VAL HB 3.261 . 4.590 4.645 4.645 4.645 0.055 1 0 "[ ]" 1
598 1 53 ASN H 1 54 VAL MG2 3.182 . 4.439 3.409 3.409 3.409 . 0 0 "[ ]" 1
599 1 53 ASN HA 1 53 ASN HB2 2.417 . 3.147 2.702 2.702 2.702 . 0 0 "[ ]" 1
600 1 53 ASN HA 1 53 ASN HB3 2.367 . 3.067 2.285 2.285 2.285 . 0 0 "[ ]" 1
601 1 53 ASN HA 1 53 ASN HD21 3.156 . 4.401 4.195 4.195 4.195 . 0 0 "[ ]" 1
602 1 53 ASN HA 1 54 VAL H 2.869 . 3.898 3.228 3.228 3.228 . 0 0 "[ ]" 1
603 1 53 ASN HB2 1 53 ASN HD21 2.789 . 3.762 2.329 2.329 2.329 . 0 0 "[ ]" 1
604 1 53 ASN HB2 1 53 ASN HD22 2.889 . 3.932 3.543 3.543 3.543 . 0 0 "[ ]" 1
605 1 53 ASN HB2 1 54 VAL H 3.247 . 4.565 4.060 4.060 4.060 . 0 0 "[ ]" 1
606 1 53 ASN HB3 1 53 ASN HD21 3.107 . 4.314 3.521 3.521 3.521 . 0 0 "[ ]" 1
607 1 53 ASN HB3 1 54 VAL H 3.396 . 4.838 4.561 4.561 4.561 . 0 0 "[ ]" 1
608 1 54 VAL H 1 54 VAL HA 2.544 . 3.353 2.938 2.938 2.938 . 0 0 "[ ]" 1
609 1 54 VAL H 1 54 VAL HB 2.260 . 2.898 2.840 2.840 2.840 . 0 0 "[ ]" 1
610 1 54 VAL H 1 54 VAL MG2 2.315 . 2.985 2.725 2.725 2.725 . 0 0 "[ ]" 1
611 1 54 VAL H 1 55 GLU H 3.274 . 4.613 4.410 4.410 4.410 . 0 0 "[ ]" 1
612 1 54 VAL HA 1 54 VAL MG1 2.088 . 2.633 2.335 2.335 2.335 . 0 0 "[ ]" 1
613 1 54 VAL HA 1 54 VAL MG2 2.247 . 2.878 2.501 2.501 2.501 . 0 0 "[ ]" 1
614 1 54 VAL HA 1 55 GLU H 1.953 . 2.430 2.387 2.387 2.387 . 0 0 "[ ]" 1
615 1 54 VAL MG1 1 55 GLU H 2.619 . 2.880 1.956 1.956 1.956 . 0 0 "[ ]" 1
616 1 54 VAL MG1 1 94 VAL HA 3.004 . 4.132 3.808 3.808 3.808 . 0 0 "[ ]" 1
617 1 54 VAL MG1 1 95 GLU H 3.183 . 4.450 3.246 3.246 3.246 . 0 0 "[ ]" 1
618 1 55 GLU H 1 55 GLU HA 2.732 . 3.665 2.816 2.816 2.816 . 0 0 "[ ]" 1
619 1 55 GLU H 1 55 GLU HB2 2.214 . 2.826 2.770 2.770 2.770 . 0 0 "[ ]" 1
620 1 55 GLU H 1 55 GLU HG2 3.246 . 4.563 4.701 4.701 4.701 0.138 1 0 "[ ]" 1
621 1 55 GLU H 1 55 GLU HG3 2.745 . 3.687 3.887 3.887 3.887 0.200 1 0 "[ ]" 1
622 1 55 GLU H 1 56 ILE H 3.394 . 4.834 4.272 4.272 4.272 . 0 0 "[ ]" 1
623 1 55 GLU H 1 56 ILE MD 2.820 . 3.814 3.834 3.834 3.834 0.020 1 0 "[ ]" 1
624 1 55 GLU HA 1 55 GLU HG2 2.140 . 2.713 2.508 2.508 2.508 . 0 0 "[ ]" 1
625 1 55 GLU HA 1 56 ILE H 2.024 . 2.536 2.328 2.328 2.328 . 0 0 "[ ]" 1
626 1 55 GLU HB3 1 56 ILE H 2.854 . 3.872 2.462 2.462 2.462 . 0 0 "[ ]" 1
627 1 55 GLU HG2 1 56 ILE H 3.080 . 4.266 2.465 2.465 2.465 . 0 0 "[ ]" 1
628 1 55 GLU HG3 1 56 ILE H 2.516 . 3.307 3.410 3.410 3.410 0.103 1 0 "[ ]" 1
629 1 55 GLU HG3 1 56 ILE MD 2.774 . 3.736 3.838 3.838 3.838 0.102 1 0 "[ ]" 1
630 1 55 GLU HG3 1 56 ILE MD 2.771 . 3.731 3.697 3.697 3.697 . 0 0 "[ ]" 1
631 1 55 GLU HG3 1 57 VAL MG1 2.381 . 3.090 3.098 3.098 3.098 0.008 1 0 "[ ]" 1
632 1 56 ILE H 1 56 ILE HA 2.852 . 3.869 2.922 2.922 2.922 . 0 0 "[ ]" 1
633 1 56 ILE H 1 56 ILE HB 2.314 . 2.983 2.930 2.930 2.930 . 0 0 "[ ]" 1
634 1 56 ILE H 1 56 ILE MD 2.920 . 3.986 2.527 2.527 2.527 . 0 0 "[ ]" 1
635 1 56 ILE H 1 56 ILE QG 3.014 . 4.149 1.980 1.980 1.980 . 0 0 "[ ]" 1
636 1 56 ILE H 1 56 ILE MG 2.943 . 4.026 3.794 3.794 3.794 . 0 0 "[ ]" 1
637 1 56 ILE HA 1 56 ILE MD 2.504 . 3.288 2.489 2.489 2.489 . 0 0 "[ ]" 1
638 1 56 ILE HA 1 56 ILE MG 2.460 . 3.216 2.176 2.176 2.176 . 0 0 "[ ]" 1
639 1 56 ILE HA 1 57 VAL H 2.233 . 2.856 2.252 2.252 2.252 . 0 0 "[ ]" 1
640 1 56 ILE HA 1 93 LEU H 3.575 . 5.173 4.188 4.188 4.188 . 0 0 "[ ]" 1
641 1 56 ILE HA 1 94 VAL HA 2.675 . 3.570 2.957 2.957 2.957 . 0 0 "[ ]" 1
642 1 56 ILE HA 1 94 VAL MG1 2.440 . 3.184 2.093 2.093 2.093 . 0 0 "[ ]" 1
643 1 56 ILE HB 1 56 ILE HG13 2.255 . 2.891 2.495 2.495 2.495 . 0 0 "[ ]" 1
644 1 56 ILE HB 1 56 ILE MG 2.351 . 3.042 2.124 2.124 2.124 . 0 0 "[ ]" 1
645 1 56 ILE HB 1 57 VAL H 2.613 . 3.466 2.859 2.859 2.859 . 0 0 "[ ]" 1
646 1 56 ILE HB 1 93 LEU H 3.414 . 4.871 4.904 4.904 4.904 0.033 1 0 "[ ]" 1
647 1 56 ILE MG 1 57 VAL H 2.645 . 3.520 1.961 1.961 1.961 . 0 0 "[ ]" 1
648 1 56 ILE MG 1 92 ASP HA 2.652 . 3.466 3.220 3.220 3.220 . 0 0 "[ ]" 1
649 1 56 ILE MG 1 93 LEU H 2.980 . 4.090 2.482 2.482 2.482 . 0 0 "[ ]" 1
650 1 57 VAL H 1 57 VAL HA 2.913 . 3.974 2.918 2.918 2.918 . 0 0 "[ ]" 1
651 1 57 VAL H 1 57 VAL HB 2.696 . 3.605 3.147 3.147 3.147 . 0 0 "[ ]" 1
652 1 57 VAL H 1 57 VAL MG1 2.571 . 2.729 2.523 2.523 2.523 . 0 0 "[ ]" 1
653 1 57 VAL H 1 92 ASP HA 3.330 . 4.716 4.252 4.252 4.252 . 0 0 "[ ]" 1
654 1 57 VAL H 1 92 ASP HA 3.264 . 4.595 3.420 3.420 3.420 . 0 0 "[ ]" 1
655 1 57 VAL H 1 93 LEU H 3.105 . 4.311 2.545 2.545 2.545 . 0 0 "[ ]" 1
656 1 57 VAL H 1 94 VAL HA 3.152 . 4.394 3.605 3.605 3.605 . 0 0 "[ ]" 1
657 1 57 VAL H 1 94 VAL MG1 3.169 . 4.424 3.560 3.560 3.560 . 0 0 "[ ]" 1
658 1 57 VAL HA 1 57 VAL HB 2.405 . 3.128 2.559 2.559 2.559 . 0 0 "[ ]" 1
659 1 57 VAL HA 1 57 VAL MG2 1.929 . 2.394 2.271 2.271 2.271 . 0 0 "[ ]" 1
660 1 57 VAL HA 1 58 THR H 1.966 . 2.449 2.461 2.461 2.461 0.012 1 0 "[ ]" 1
661 1 57 VAL HA 1 93 LEU MD1 3.052 . 4.216 4.095 4.095 4.095 . 0 0 "[ ]" 1
662 1 57 VAL HB 1 57 VAL MG1 2.183 . 2.779 2.110 2.110 2.110 . 0 0 "[ ]" 1
663 1 57 VAL HB 1 58 THR H 2.817 . 3.809 3.861 3.861 3.861 0.052 1 0 "[ ]" 1
664 1 57 VAL HB 1 93 LEU HB2 3.451 . 4.940 4.385 4.385 4.385 . 0 0 "[ ]" 1
665 1 57 VAL QG 1 92 ASP HA 3.238 . 4.549 4.197 4.197 4.197 . 0 0 "[ ]" 1
666 1 57 VAL MG1 1 92 ASP HA 3.225 . 4.525 4.318 4.318 4.318 . 0 0 "[ ]" 1
667 1 57 VAL MG1 1 93 LEU H 2.483 . 3.254 2.921 2.921 2.921 . 0 0 "[ ]" 1
668 1 57 VAL MG1 1 93 LEU HB2 2.172 . 2.762 1.730 1.730 1.730 . 0 0 "[ ]" 1
669 1 57 VAL MG1 1 93 LEU HB3 2.291 . 2.947 2.850 2.850 2.850 . 0 0 "[ ]" 1
670 1 57 VAL MG1 1 93 LEU MD1 2.203 . 2.809 2.517 2.517 2.517 . 0 0 "[ ]" 1
671 1 57 VAL MG1 1 94 VAL HA 3.062 . 4.234 3.202 3.202 3.202 . 0 0 "[ ]" 1
672 1 57 VAL MG2 1 58 THR H 2.105 . 2.659 1.751 1.751 1.751 . 0 0 "[ ]" 1
673 1 58 THR H 1 58 THR HA 2.855 . 3.874 2.917 2.917 2.917 . 0 0 "[ ]" 1
674 1 58 THR H 1 58 THR HB 2.718 . 3.641 3.675 3.675 3.675 0.034 1 0 "[ ]" 1
675 1 58 THR H 1 58 THR MG 2.833 . 3.836 3.578 3.578 3.578 . 0 0 "[ ]" 1
676 1 58 THR H 1 92 ASP HA 3.698 . 5.407 5.167 5.167 5.167 . 0 0 "[ ]" 1
677 1 58 THR HA 1 58 THR HB 2.274 . 2.921 2.640 2.640 2.640 . 0 0 "[ ]" 1
678 1 58 THR HA 1 58 THR MG 1.977 . 2.466 2.068 2.068 2.068 . 0 0 "[ ]" 1
679 1 58 THR HA 1 59 ILE H 2.072 . 2.609 1.981 1.981 1.981 . 0 0 "[ ]" 1
680 1 58 THR HA 1 59 ILE HA 3.033 . 4.183 4.243 4.243 4.243 0.060 1 0 "[ ]" 1
681 1 58 THR HA 1 59 ILE MD 3.507 . 5.044 4.650 4.650 4.650 . 0 0 "[ ]" 1
682 1 58 THR HA 1 59 ILE HG13 2.926 . 3.996 3.654 3.654 3.654 . 0 0 "[ ]" 1
683 1 58 THR HA 1 90 LEU HB3 3.316 . 4.690 4.496 4.496 4.496 . 0 0 "[ ]" 1
684 1 58 THR HA 1 91 LEU H 3.125 . 4.346 4.150 4.150 4.150 . 0 0 "[ ]" 1
685 1 58 THR HA 1 92 ASP H 3.445 . 4.929 4.784 4.784 4.784 . 0 0 "[ ]" 1
686 1 58 THR HA 1 92 ASP HA 2.486 . 3.259 3.006 3.006 3.006 . 0 0 "[ ]" 1
687 1 58 THR HA 1 93 LEU H 2.802 . 3.784 3.416 3.416 3.416 . 0 0 "[ ]" 1
688 1 58 THR HA 1 93 LEU HB2 3.311 . 4.681 3.755 3.755 3.755 . 0 0 "[ ]" 1
689 1 58 THR HA 1 93 LEU MD1 3.386 . 4.819 2.973 2.973 2.973 . 0 0 "[ ]" 1
690 1 58 THR HB 1 58 THR MG 1.958 . 2.437 2.109 2.109 2.109 . 0 0 "[ ]" 1
691 1 58 THR HB 1 59 ILE H 2.474 . 3.239 3.181 3.181 3.181 . 0 0 "[ ]" 1
692 1 58 THR HB 1 59 ILE HA 2.869 . 3.898 3.939 3.939 3.939 0.041 1 0 "[ ]" 1
693 1 58 THR HB 1 90 LEU HB2 3.338 . 4.731 4.291 4.291 4.291 . 0 0 "[ ]" 1
694 1 58 THR HB 1 90 LEU HB3 2.609 . 3.460 2.725 2.725 2.725 . 0 0 "[ ]" 1
695 1 58 THR HB 1 90 LEU MD2 2.473 . 3.237 2.747 2.747 2.747 . 0 0 "[ ]" 1
696 1 58 THR HB 1 91 LEU H 3.245 . 4.561 3.562 3.562 3.562 . 0 0 "[ ]" 1
697 1 58 THR HB 1 92 ASP HA 3.177 . 4.438 4.549 4.549 4.549 0.111 1 0 "[ ]" 1
698 1 58 THR MG 1 59 ILE H 2.726 . 3.655 3.192 3.192 3.192 . 0 0 "[ ]" 1
699 1 58 THR MG 1 90 LEU HB3 2.054 . 2.582 1.953 1.953 1.953 . 0 0 "[ ]" 1
700 1 58 THR MG 1 90 LEU MD1 1.854 . 2.284 2.254 2.254 2.254 . 0 0 "[ ]" 1
701 1 58 THR MG 1 91 LEU H 2.511 . 3.299 2.697 2.697 2.697 . 0 0 "[ ]" 1
702 1 58 THR MG 1 92 ASP H 2.657 . 3.539 3.630 3.630 3.630 0.091 1 0 "[ ]" 1
703 1 58 THR MG 1 92 ASP HA 2.342 . 3.028 2.032 2.032 2.032 . 0 0 "[ ]" 1
704 1 58 THR MG 1 93 LEU H 2.542 . 3.350 3.382 3.382 3.382 0.032 1 0 "[ ]" 1
705 1 59 ILE H 1 59 ILE HA 2.865 . 3.891 2.894 2.894 2.894 . 0 0 "[ ]" 1
706 1 59 ILE H 1 59 ILE HB 3.114 . 4.326 3.692 3.692 3.692 . 0 0 "[ ]" 1
707 1 59 ILE H 1 59 ILE MD 2.603 . 3.450 3.089 3.089 3.089 . 0 0 "[ ]" 1
708 1 59 ILE H 1 59 ILE HG13 3.120 . 4.337 1.899 1.899 1.899 0.017 1 0 "[ ]" 1
709 1 59 ILE H 1 60 ALA H 3.180 . 4.444 4.492 4.492 4.492 0.048 1 0 "[ ]" 1
710 1 59 ILE H 1 90 LEU HB3 2.888 . 3.931 3.769 3.769 3.769 . 0 0 "[ ]" 1
711 1 59 ILE H 1 90 LEU HB3 3.370 . 4.789 4.847 4.847 4.847 0.058 1 0 "[ ]" 1
712 1 59 ILE H 1 91 LEU H 2.854 . 3.872 3.845 3.845 3.845 . 0 0 "[ ]" 1
713 1 59 ILE H 1 92 ASP HA 3.160 . 4.408 4.419 4.419 4.419 0.011 1 0 "[ ]" 1
714 1 59 ILE H 1 93 LEU H 3.617 . 5.253 4.869 4.869 4.869 . 0 0 "[ ]" 1
715 1 59 ILE H 1 93 LEU HB2 3.704 . 5.419 4.320 4.320 4.320 . 0 0 "[ ]" 1
716 1 59 ILE H 1 93 LEU MD1 3.252 . 4.574 2.443 2.443 2.443 . 0 0 "[ ]" 1
717 1 59 ILE HA 1 59 ILE MG 2.369 . 3.070 2.267 2.267 2.267 . 0 0 "[ ]" 1
718 1 59 ILE HA 1 60 ALA H 2.102 . 2.654 2.514 2.514 2.514 . 0 0 "[ ]" 1
719 1 59 ILE HB 1 59 ILE MD 2.133 . 2.702 2.296 2.296 2.296 . 0 0 "[ ]" 1
720 1 59 ILE HB 1 59 ILE MG 2.051 . 2.577 2.112 2.112 2.112 . 0 0 "[ ]" 1
721 1 59 ILE HB 1 60 ALA H 2.102 . 2.654 2.648 2.648 2.648 . 0 0 "[ ]" 1
722 1 59 ILE HB 1 64 PHE H 3.168 . 4.423 4.353 4.353 4.353 . 0 0 "[ ]" 1
723 1 59 ILE MD 1 59 ILE HG12 2.135 . 2.705 2.104 2.104 2.104 . 0 0 "[ ]" 1
724 1 59 ILE MD 1 59 ILE HG13 1.949 . 2.424 2.092 2.092 2.092 . 0 0 "[ ]" 1
725 1 59 ILE MD 1 60 ALA H 2.607 . 3.457 2.830 2.830 2.830 . 0 0 "[ ]" 1
726 1 59 ILE MD 1 93 LEU HG 2.822 . 3.818 3.855 3.855 3.855 0.037 1 0 "[ ]" 1
727 1 59 ILE MD 1 61 GLU H 2.850 . 3.865 2.667 2.667 2.667 . 0 0 "[ ]" 1
728 1 59 ILE MD 1 63 GLU H 3.390 . 4.826 3.278 3.278 3.278 . 0 0 "[ ]" 1
729 1 59 ILE MD 1 63 GLU HB2 2.252 . 2.886 1.651 1.651 1.651 . 0 0 "[ ]" 1
730 1 59 ILE MD 1 63 GLU HG3 2.475 . 3.240 3.185 3.185 3.185 . 0 0 "[ ]" 1
731 1 59 ILE MD 1 64 PHE H 2.891 . 3.936 1.927 1.927 1.927 . 0 0 "[ ]" 1
732 1 59 ILE MD 1 64 PHE HA 2.467 . 3.228 3.217 3.217 3.217 . 0 0 "[ ]" 1
733 1 59 ILE MD 1 64 PHE HB2 2.423 . 3.157 1.754 1.754 1.754 . 0 0 "[ ]" 1
734 1 59 ILE MD 1 91 LEU H 2.841 . 3.850 3.720 3.720 3.720 . 0 0 "[ ]" 1
735 1 59 ILE MD 1 91 LEU HB2 2.861 . 3.884 3.430 3.430 3.430 . 0 0 "[ ]" 1
736 1 59 ILE MD 1 91 LEU HB3 3.010 . 4.142 4.076 4.076 4.076 . 0 0 "[ ]" 1
737 1 59 ILE MD 1 91 LEU QD 2.370 . 3.072 1.658 1.658 1.658 0.055 1 0 "[ ]" 1
738 1 59 ILE MD 1 93 LEU MD1 2.389 . 3.102 2.931 2.931 2.931 . 0 0 "[ ]" 1
739 1 59 ILE HG12 1 59 ILE MG 2.370 . 3.072 2.199 2.199 2.199 . 0 0 "[ ]" 1
740 1 59 ILE HG13 1 64 PHE H 3.350 . 4.753 4.685 4.685 4.685 . 0 0 "[ ]" 1
741 1 59 ILE HG13 1 91 LEU HG 2.387 . 3.099 2.879 2.879 2.879 . 0 0 "[ ]" 1
742 1 59 ILE HG13 1 93 LEU MD1 2.119 . 2.680 1.768 1.768 1.768 . 0 0 "[ ]" 1
743 1 59 ILE MG 1 93 LEU MD1 2.051 . 2.577 2.009 2.009 2.009 . 0 0 "[ ]" 1
744 1 60 ALA H 1 63 GLU HB2 3.162 . 4.412 3.186 3.186 3.186 . 0 0 "[ ]" 1
745 1 60 ALA H 1 63 GLU HB3 3.235 . 4.543 4.198 4.198 4.198 . 0 0 "[ ]" 1
746 1 60 ALA HA 1 60 ALA MB 2.115 . 2.674 2.098 2.098 2.098 . 0 0 "[ ]" 1
747 1 60 ALA HA 1 61 GLU H 2.165 . 2.751 2.283 2.283 2.283 . 0 0 "[ ]" 1
748 1 60 ALA HA 1 62 ALA H 3.030 . 4.177 4.351 4.351 4.351 0.174 1 0 "[ ]" 1
749 1 60 ALA HA 1 62 ALA H 3.069 . 4.246 4.182 4.182 4.182 . 0 0 "[ ]" 1
750 1 60 ALA HA 1 90 LEU HA 2.486 . 3.259 2.851 2.851 2.851 . 0 0 "[ ]" 1
751 1 60 ALA HA 1 90 LEU MD2 2.079 . 2.619 1.784 1.784 1.784 . 0 0 "[ ]" 1
752 1 60 ALA HA 1 91 LEU H 2.951 . 4.039 4.077 4.077 4.077 0.038 1 0 "[ ]" 1
753 1 60 ALA HA 1 91 LEU QD 2.433 . 3.173 3.047 3.047 3.047 . 0 0 "[ ]" 1
754 1 60 ALA MB 1 61 GLU H 2.601 . 2.858 2.782 2.782 2.782 . 0 0 "[ ]" 1
755 1 60 ALA MB 1 63 GLU H 2.114 . 2.672 2.711 2.711 2.711 0.039 1 0 "[ ]" 1
756 1 60 ALA MB 1 90 LEU MD2 2.096 . 2.645 2.753 2.753 2.753 0.108 1 0 "[ ]" 1
757 1 61 GLU H 1 61 GLU HA 2.705 . 3.620 2.726 2.726 2.726 . 0 0 "[ ]" 1
758 1 61 GLU H 1 61 GLU HB2 2.625 . 3.486 2.194 2.194 2.194 . 0 0 "[ ]" 1
759 1 61 GLU H 1 61 GLU HB3 2.689 . 3.593 3.500 3.500 3.500 . 0 0 "[ ]" 1
760 1 61 GLU H 1 61 GLU HG2 3.357 . 4.766 3.948 3.948 3.948 . 0 0 "[ ]" 1
761 1 61 GLU H 1 61 GLU HG3 3.227 . 4.528 2.873 2.873 2.873 . 0 0 "[ ]" 1
762 1 61 GLU H 1 62 ALA H 2.722 . 3.648 2.884 2.884 2.884 . 0 0 "[ ]" 1
763 1 61 GLU H 1 88 LYS HA 3.001 . 4.127 2.532 2.532 2.532 . 0 0 "[ ]" 1
764 1 61 GLU H 1 90 LEU HA 2.728 . 3.658 2.617 2.617 2.617 . 0 0 "[ ]" 1
765 1 61 GLU H 1 90 LEU MD2 2.886 . 2.999 2.708 2.708 2.708 . 0 0 "[ ]" 1
766 1 61 GLU H 1 91 LEU H 3.312 . 4.683 4.169 4.169 4.169 . 0 0 "[ ]" 1
767 1 61 GLU H 1 91 LEU QD 3.332 . 4.043 2.642 2.642 2.642 . 0 0 "[ ]" 1
768 1 61 GLU H 1 91 LEU HG 3.118 . 4.333 5.374 5.374 5.374 1.041 1 1 [+] 1
769 1 61 GLU HA 1 61 GLU HG2 2.633 . 3.500 2.361 2.361 2.361 . 0 0 "[ ]" 1
770 1 61 GLU HA 1 61 GLU HG2 2.644 . 3.518 2.355 2.355 2.355 . 0 0 "[ ]" 1
771 1 61 GLU HA 1 62 ALA H 2.824 . 3.821 3.469 3.469 3.469 . 0 0 "[ ]" 1
772 1 61 GLU HA 1 64 PHE H 3.082 . 4.270 3.728 3.728 3.728 . 0 0 "[ ]" 1
773 1 61 GLU HA 1 65 TYR H 3.089 . 4.282 4.108 4.108 4.108 . 0 0 "[ ]" 1
774 1 61 GLU HA 1 91 LEU QD 2.367 . 2.977 1.586 1.586 1.586 0.085 1 0 "[ ]" 1
775 1 61 GLU HB2 1 62 ALA H 2.971 . 4.074 2.662 2.662 2.662 . 0 0 "[ ]" 1
776 1 61 GLU HB2 1 91 LEU QD 2.785 . 2.991 3.418 3.418 3.418 0.427 1 0 "[ ]" 1
777 1 61 GLU HB3 1 62 ALA H 2.871 . 3.901 2.920 2.920 2.920 . 0 0 "[ ]" 1
778 1 61 GLU HG2 1 62 ALA H 3.320 . 4.698 4.791 4.791 4.791 0.093 1 0 "[ ]" 1
779 1 61 GLU HG2 1 84 ASN H 3.212 . 4.501 3.817 3.817 3.817 . 0 0 "[ ]" 1
780 1 61 GLU HG3 1 62 ALA H 3.368 . 4.786 4.673 4.673 4.673 . 0 0 "[ ]" 1
781 1 61 GLU HG3 1 89 GLU H 2.497 . 3.276 3.375 3.375 3.375 0.099 1 0 "[ ]" 1
782 1 61 GLU HG3 1 90 LEU H 3.305 . 4.671 3.266 3.266 3.266 . 0 0 "[ ]" 1
783 1 61 GLU HG3 1 91 LEU QD 2.605 . 3.453 2.272 2.272 2.272 . 0 0 "[ ]" 1
784 1 62 ALA H 1 62 ALA HA 2.320 . 2.993 2.741 2.741 2.741 . 0 0 "[ ]" 1
785 1 62 ALA H 1 62 ALA MB 2.080 . 2.621 2.223 2.223 2.223 . 0 0 "[ ]" 1
786 1 62 ALA H 1 63 GLU H 2.677 . 3.573 2.837 2.837 2.837 . 0 0 "[ ]" 1
787 1 62 ALA H 1 88 LYS HA 3.322 . 4.702 3.044 3.044 3.044 . 0 0 "[ ]" 1
788 1 62 ALA HA 1 62 ALA MB 1.929 . 2.394 2.117 2.117 2.117 . 0 0 "[ ]" 1
789 1 62 ALA HA 1 63 GLU H 3.363 . 4.777 3.490 3.490 3.490 . 0 0 "[ ]" 1
790 1 62 ALA HA 1 65 TYR H 3.127 . 4.349 4.072 4.072 4.072 . 0 0 "[ ]" 1
791 1 62 ALA HA 1 66 ARG H 3.168 . 4.423 4.206 4.206 4.206 . 0 0 "[ ]" 1
792 1 62 ALA HA 1 85 PRO HA 2.686 . 3.588 2.189 2.189 2.189 . 0 0 "[ ]" 1
793 1 62 ALA MB 1 63 GLU H 2.174 . 2.765 2.779 2.779 2.779 0.014 1 0 "[ ]" 1
794 1 62 ALA MB 1 85 PRO HA 2.342 . 3.028 2.464 2.464 2.464 . 0 0 "[ ]" 1
795 1 63 GLU H 1 63 GLU HA 2.719 . 3.643 2.846 2.846 2.846 . 0 0 "[ ]" 1
796 1 63 GLU H 1 63 GLU HB2 2.574 . 3.403 2.235 2.235 2.235 . 0 0 "[ ]" 1
797 1 63 GLU H 1 63 GLU HB3 2.715 . 3.637 3.526 3.526 3.526 . 0 0 "[ ]" 1
798 1 63 GLU H 1 63 GLU HG3 3.174 . 4.433 3.737 3.737 3.737 . 0 0 "[ ]" 1
799 1 63 GLU H 1 64 PHE H 2.511 . 3.299 2.775 2.775 2.775 . 0 0 "[ ]" 1
800 1 63 GLU H 1 65 TYR H 2.913 . 3.974 3.968 3.968 3.968 . 0 0 "[ ]" 1
801 1 63 GLU HA 1 63 GLU HB2 2.295 . 2.953 2.975 2.975 2.975 0.022 1 0 "[ ]" 1
802 1 63 GLU HA 1 63 GLU HB3 2.297 . 2.957 2.578 2.578 2.578 . 0 0 "[ ]" 1
803 1 63 GLU HA 1 64 PHE H 3.383 . 4.814 3.561 3.561 3.561 . 0 0 "[ ]" 1
804 1 63 GLU HB2 1 63 GLU HG2 2.472 . 3.236 2.406 2.406 2.406 . 0 0 "[ ]" 1
805 1 63 GLU HB2 1 64 PHE H 3.018 . 4.157 2.145 2.145 2.145 . 0 0 "[ ]" 1
806 1 63 GLU HB2 1 93 LEU MD1 3.631 . 5.279 4.917 4.917 4.917 . 0 0 "[ ]" 1
807 1 63 GLU HB2 1 93 LEU MD1 3.634 . 5.285 5.292 5.292 5.292 0.007 1 0 "[ ]" 1
808 1 63 GLU HB3 1 64 PHE H 2.963 . 4.061 2.902 2.902 2.902 . 0 0 "[ ]" 1
809 1 63 GLU HB3 1 93 LEU MD1 3.670 . 5.354 5.382 5.382 5.382 0.028 1 0 "[ ]" 1
810 1 64 PHE H 1 64 PHE HA 2.776 . 3.739 2.797 2.797 2.797 . 0 0 "[ ]" 1
811 1 64 PHE H 1 64 PHE HB2 2.660 . 3.544 2.671 2.671 2.671 . 0 0 "[ ]" 1
812 1 64 PHE H 1 64 PHE HB3 2.702 . 3.614 2.433 2.433 2.433 . 0 0 "[ ]" 1
813 1 64 PHE H 1 65 TYR H 2.869 . 3.898 2.683 2.683 2.683 . 0 0 "[ ]" 1
814 1 64 PHE H 1 91 LEU QD 3.071 . 4.250 3.007 3.007 3.007 . 0 0 "[ ]" 1
815 1 64 PHE HA 1 65 TYR H 3.213 . 4.504 3.529 3.529 3.529 . 0 0 "[ ]" 1
816 1 64 PHE HB2 1 65 TYR H 2.981 . 4.092 3.994 3.994 3.994 . 0 0 "[ ]" 1
817 1 64 PHE HB2 1 93 LEU MD1 3.469 . 4.973 3.732 3.732 3.732 . 0 0 "[ ]" 1
818 1 64 PHE HB2 1 91 LEU QD 2.470 . 3.233 2.952 2.952 2.952 . 0 0 "[ ]" 1
819 1 64 PHE HB2 1 93 LEU MD1 3.473 . 4.980 3.761 3.761 3.761 . 0 0 "[ ]" 1
820 1 64 PHE HB3 1 65 TYR H 2.773 . 3.734 2.722 2.722 2.722 . 0 0 "[ ]" 1
821 1 64 PHE HB3 1 91 LEU QD 2.618 . 3.475 2.149 2.149 2.149 . 0 0 "[ ]" 1
822 1 64 PHE HB3 1 93 LEU MD1 3.463 . 4.962 5.053 5.053 5.053 0.091 1 0 "[ ]" 1
823 1 65 TYR H 1 65 TYR HA 2.428 . 3.165 2.802 2.802 2.802 . 0 0 "[ ]" 1
824 1 65 TYR H 1 65 TYR HB2 2.624 . 3.485 2.603 2.603 2.603 . 0 0 "[ ]" 1
825 1 65 TYR H 1 65 TYR HB3 2.655 . 3.536 2.471 2.471 2.471 . 0 0 "[ ]" 1
826 1 65 TYR H 1 66 ARG H 2.802 . 3.783 2.731 2.731 2.731 . 0 0 "[ ]" 1
827 1 65 TYR H 1 91 LEU QD 3.386 . 4.819 3.696 3.696 3.696 . 0 0 "[ ]" 1
828 1 65 TYR HA 1 65 TYR HB3 2.841 . 3.850 3.025 3.025 3.025 . 0 0 "[ ]" 1
829 1 65 TYR HA 1 65 TYR QD 2.794 . 3.770 2.821 2.821 2.821 . 0 0 "[ ]" 1
830 1 65 TYR HA 1 68 VAL MG2 2.498 . 3.278 3.254 3.254 3.254 . 0 0 "[ ]" 1
831 1 65 TYR HB2 1 83 PHE HB2 2.337 . 3.020 2.685 2.685 2.685 . 0 0 "[ ]" 1
832 1 65 TYR QD 1 66 ARG H 2.950 . 4.038 3.458 3.458 3.458 . 0 0 "[ ]" 1
833 1 65 TYR QD 1 69 SER H 3.308 . 4.676 4.476 4.476 4.476 . 0 0 "[ ]" 1
834 1 65 TYR QD 1 83 PHE H 3.168 . 4.423 4.011 4.011 4.011 . 0 0 "[ ]" 1
835 1 66 ARG H 1 66 ARG HA 2.684 . 3.584 2.764 2.764 2.764 . 0 0 "[ ]" 1
836 1 66 ARG H 1 66 ARG QB 2.514 . 3.304 2.150 2.150 2.150 . 0 0 "[ ]" 1
837 1 66 ARG H 1 66 ARG QB 2.313 . 2.982 2.026 2.026 2.026 . 0 0 "[ ]" 1
838 1 66 ARG H 1 66 ARG HG3 3.096 . 4.294 4.376 4.376 4.376 0.082 1 0 "[ ]" 1
839 1 66 ARG HA 1 67 GLN H 3.087 . 4.278 3.563 3.563 3.563 . 0 0 "[ ]" 1
840 1 66 ARG HA 1 69 SER H 3.356 . 4.764 4.230 4.230 4.230 . 0 0 "[ ]" 1
841 1 66 ARG HA 1 70 ALA H 3.306 . 4.672 4.563 4.563 4.563 . 0 0 "[ ]" 1
842 1 66 ARG QB 1 66 ARG HD3 2.438 . 3.181 2.450 2.450 2.450 . 0 0 "[ ]" 1
843 1 66 ARG QB 1 67 GLN H 2.763 . 3.717 2.477 2.477 2.477 . 0 0 "[ ]" 1
844 1 66 ARG HD2 1 66 ARG HG2 2.482 . 3.252 3.002 3.002 3.002 . 0 0 "[ ]" 1
845 1 66 ARG HD3 1 66 ARG HG2 2.052 . 2.578 2.416 2.416 2.416 . 0 0 "[ ]" 1
846 1 66 ARG HD3 1 66 ARG HG3 2.319 . 2.991 3.018 3.018 3.018 0.027 1 0 "[ ]" 1
847 1 66 ARG HG3 1 67 GLN H 3.283 . 4.630 3.601 3.601 3.601 . 0 0 "[ ]" 1
848 1 67 GLN H 1 67 GLN HA 2.492 . 3.268 2.833 2.833 2.833 . 0 0 "[ ]" 1
849 1 67 GLN H 1 67 GLN HB2 2.679 . 3.576 2.998 2.998 2.998 . 0 0 "[ ]" 1
850 1 67 GLN H 1 67 GLN HB3 2.520 . 3.313 3.457 3.457 3.457 0.144 1 0 "[ ]" 1
851 1 67 GLN H 1 67 GLN HG3 2.761 . 3.714 3.264 3.264 3.264 . 0 0 "[ ]" 1
852 1 67 GLN H 1 68 VAL MG2 3.277 . 4.619 3.612 3.612 3.612 . 0 0 "[ ]" 1
853 1 67 GLN HA 1 67 GLN HB3 2.104 . 2.657 2.247 2.247 2.247 . 0 0 "[ ]" 1
854 1 67 GLN HA 1 67 GLN HB3 2.141 . 2.714 2.069 2.069 2.069 . 0 0 "[ ]" 1
855 1 67 GLN HA 1 68 VAL H 3.177 . 4.439 3.533 3.533 3.533 . 0 0 "[ ]" 1
856 1 67 GLN HA 1 70 ALA MB 2.210 . 2.821 2.855 2.855 2.855 0.034 1 0 "[ ]" 1
857 1 67 GLN HB2 1 68 VAL H 3.047 . 4.207 2.655 2.655 2.655 . 0 0 "[ ]" 1
858 1 67 GLN HB3 1 68 VAL H 2.976 . 4.083 3.970 3.970 3.970 . 0 0 "[ ]" 1
859 1 68 VAL H 1 68 VAL HA 2.458 . 3.213 2.841 2.841 2.841 . 0 0 "[ ]" 1
860 1 68 VAL H 1 68 VAL HB 2.545 . 3.355 2.652 2.652 2.652 . 0 0 "[ ]" 1
861 1 68 VAL H 1 68 VAL MG1 2.799 . 3.779 3.761 3.761 3.761 . 0 0 "[ ]" 1
862 1 68 VAL H 1 68 VAL MG2 1.991 . 2.486 1.826 1.826 1.826 . 0 0 "[ ]" 1
863 1 68 VAL H 1 69 SER HB3 3.339 . 4.733 4.730 4.730 4.730 . 0 0 "[ ]" 1
864 1 68 VAL H 1 70 ALA H 3.217 . 4.511 3.814 3.814 3.814 . 0 0 "[ ]" 1
865 1 68 VAL H 1 71 SER H 3.300 . 4.661 4.673 4.673 4.673 0.012 1 0 "[ ]" 1
866 1 68 VAL HA 1 68 VAL MG1 2.055 . 2.583 2.296 2.296 2.296 . 0 0 "[ ]" 1
867 1 68 VAL HA 1 68 VAL MG2 2.001 . 2.501 2.423 2.423 2.423 . 0 0 "[ ]" 1
868 1 68 VAL HA 1 71 SER H 2.952 . 4.042 3.225 3.225 3.225 . 0 0 "[ ]" 1
869 1 68 VAL HB 1 68 VAL MG1 2.011 . 2.516 2.133 2.133 2.133 . 0 0 "[ ]" 1
870 1 68 VAL HB 1 68 VAL MG2 1.991 . 2.486 2.116 2.116 2.116 . 0 0 "[ ]" 1
871 1 68 VAL HB 1 69 SER H 2.622 . 3.481 2.333 2.333 2.333 . 0 0 "[ ]" 1
872 1 68 VAL MG1 1 69 SER H 2.885 . 3.926 3.495 3.495 3.495 . 0 0 "[ ]" 1
873 1 68 VAL MG1 1 72 LEU H 3.178 . 4.441 4.440 4.440 4.440 . 0 0 "[ ]" 1
874 1 68 VAL MG2 1 69 SER H 2.861 . 3.884 3.468 3.468 3.468 . 0 0 "[ ]" 1
875 1 69 SER H 1 69 SER HA 2.513 . 3.303 2.792 2.792 2.792 . 0 0 "[ ]" 1
876 1 69 SER H 1 69 SER QB 2.359 . 3.054 2.253 2.253 2.253 . 0 0 "[ ]" 1
877 1 69 SER H 1 70 ALA H 2.544 . 3.353 2.698 2.698 2.698 . 0 0 "[ ]" 1
878 1 69 SER H 1 71 SER H 3.295 . 4.652 4.109 4.109 4.109 . 0 0 "[ ]" 1
879 1 69 SER HA 1 70 ALA H 2.832 . 3.834 3.478 3.478 3.478 . 0 0 "[ ]" 1
880 1 69 SER HA 1 71 SER H 3.396 . 4.837 4.210 4.210 4.210 . 0 0 "[ ]" 1
881 1 69 SER HA 1 72 LEU H 3.367 . 4.784 3.643 3.643 3.643 . 0 0 "[ ]" 1
882 1 69 SER HA 1 80 LEU MD1 2.368 . 3.069 3.085 3.085 3.085 0.016 1 0 "[ ]" 1
883 1 69 SER QB 1 70 ALA H 2.971 . 4.074 2.893 2.893 2.893 . 0 0 "[ ]" 1
884 1 69 SER QB 1 80 LEU MD1 2.457 . 3.212 2.563 2.563 2.563 . 0 0 "[ ]" 1
885 1 70 ALA H 1 70 ALA HA 2.294 . 2.952 2.886 2.886 2.886 . 0 0 "[ ]" 1
886 1 70 ALA H 1 70 ALA MB 2.006 . 2.509 2.257 2.257 2.257 . 0 0 "[ ]" 1
887 1 70 ALA H 1 71 SER H 2.412 . 3.139 2.347 2.347 2.347 . 0 0 "[ ]" 1
888 1 70 ALA H 1 71 SER HA 3.450 . 4.938 4.992 4.992 4.992 0.054 1 0 "[ ]" 1
889 1 70 ALA HA 1 71 SER H 2.656 . 3.537 3.483 3.483 3.483 . 0 0 "[ ]" 1
890 1 70 ALA MB 1 71 SER H 2.345 . 3.032 2.812 2.812 2.812 . 0 0 "[ ]" 1
891 1 70 ALA MB 1 72 LEU H 3.204 . 4.487 4.293 4.293 4.293 . 0 0 "[ ]" 1
892 1 71 SER H 1 71 SER HA 2.403 . 3.125 2.880 2.880 2.880 . 0 0 "[ ]" 1
893 1 71 SER H 1 71 SER QB 2.276 . 2.924 2.699 2.699 2.699 . 0 0 "[ ]" 1
894 1 71 SER H 1 71 SER HB3 2.483 . 3.254 2.785 2.785 2.785 . 0 0 "[ ]" 1
895 1 71 SER H 1 72 LEU H 2.521 . 3.315 2.346 2.346 2.346 . 0 0 "[ ]" 1
896 1 71 SER H 1 72 LEU HB2 3.138 . 4.369 4.431 4.431 4.431 0.062 1 0 "[ ]" 1
897 1 71 SER H 1 73 LEU H 3.404 . 4.852 4.573 4.573 4.573 . 0 0 "[ ]" 1
898 1 71 SER HA 1 71 SER HB2 2.124 . 2.688 2.498 2.498 2.498 . 0 0 "[ ]" 1
899 1 71 SER HA 1 71 SER QB 2.134 . 2.703 2.189 2.189 2.189 . 0 0 "[ ]" 1
900 1 71 SER HA 1 72 LEU H 2.486 . 3.259 3.325 3.325 3.325 0.066 1 0 "[ ]" 1
901 1 71 SER HA 1 73 LEU H 3.254 . 4.578 3.264 3.264 3.264 . 0 0 "[ ]" 1
902 1 71 SER QB 1 72 LEU H 2.936 . 4.013 3.734 3.734 3.734 . 0 0 "[ ]" 1
903 1 72 LEU H 1 72 LEU HA 2.497 . 3.276 2.878 2.878 2.878 . 0 0 "[ ]" 1
904 1 72 LEU H 1 72 LEU HB2 2.312 . 2.980 2.362 2.362 2.362 . 0 0 "[ ]" 1
905 1 72 LEU H 1 72 LEU HB3 2.832 . 3.835 3.585 3.585 3.585 . 0 0 "[ ]" 1
906 1 72 LEU H 1 72 LEU MD1 2.864 . 3.889 3.924 3.924 3.924 0.035 1 0 "[ ]" 1
907 1 72 LEU HA 1 73 LEU H 2.491 . 3.267 2.919 2.919 2.919 . 0 0 "[ ]" 1
908 1 72 LEU HB2 1 73 LEU H 2.967 . 4.068 4.064 4.064 4.064 . 0 0 "[ ]" 1
909 1 72 LEU MD1 1 79 ASP H 3.364 . 4.778 4.917 4.917 4.917 0.139 1 0 "[ ]" 1
910 1 72 LEU MD1 1 79 ASP H 3.407 . 4.858 4.738 4.738 4.738 . 0 0 "[ ]" 1
911 1 73 LEU H 1 73 LEU HB2 2.471 . 3.234 2.688 2.688 2.688 . 0 0 "[ ]" 1
912 1 73 LEU H 1 73 LEU HB3 2.720 . 3.644 2.491 2.491 2.491 . 0 0 "[ ]" 1
913 1 73 LEU HA 1 73 LEU HB2 2.334 . 3.015 2.490 2.490 2.490 . 0 0 "[ ]" 1
914 1 73 LEU HA 1 74 PHE H 2.644 . 3.518 3.504 3.504 3.504 . 0 0 "[ ]" 1
915 1 73 LEU HB2 1 74 PHE H 3.337 . 4.729 3.777 3.777 3.777 . 0 0 "[ ]" 1
916 1 73 LEU HB3 1 74 PHE H 3.218 . 4.513 2.546 2.546 2.546 . 0 0 "[ ]" 1
917 1 74 PHE H 1 74 PHE HA 2.658 . 3.541 2.897 2.897 2.897 . 0 0 "[ ]" 1
918 1 78 LYS HA 1 78 LYS HB2 2.442 . 2.877 2.967 2.967 2.967 0.090 1 0 "[ ]" 1
919 1 78 LYS HA 1 78 LYS QB 2.244 . 2.873 2.436 2.436 2.436 . 0 0 "[ ]" 1
920 1 78 LYS HA 1 78 LYS HB3 2.435 . 3.176 2.589 2.589 2.589 . 0 0 "[ ]" 1
921 1 78 LYS HA 1 78 LYS QD 2.484 . 3.256 2.109 2.109 2.109 . 0 0 "[ ]" 1
922 1 78 LYS HA 1 78 LYS QD 2.482 . 3.252 2.073 2.073 2.073 . 0 0 "[ ]" 1
923 1 78 LYS HA 1 78 LYS QG 2.500 . 3.281 2.760 2.760 2.760 . 0 0 "[ ]" 1
924 1 78 LYS HA 1 79 ASP H 2.538 . 3.343 3.315 3.315 3.315 . 0 0 "[ ]" 1
925 1 78 LYS HA 1 80 LEU H 3.301 . 4.663 2.859 2.859 2.859 . 0 0 "[ ]" 1
926 1 78 LYS HA 1 81 GLU H 3.051 . 4.214 3.816 3.816 3.816 . 0 0 "[ ]" 1
927 1 78 LYS HB2 1 79 ASP H 2.966 . 4.066 3.483 3.483 3.483 . 0 0 "[ ]" 1
928 1 78 LYS HB3 1 79 ASP H 3.032 . 4.181 3.996 3.996 3.996 . 0 0 "[ ]" 1
929 1 78 LYS QD 1 78 LYS QE 1.967 . 2.451 2.098 2.098 2.098 . 0 0 "[ ]" 1
930 1 78 LYS HD3 1 81 GLU H 3.134 . 4.362 4.439 4.439 4.439 0.077 1 0 "[ ]" 1
931 1 78 LYS QE 1 78 LYS HG2 2.383 . 3.093 2.168 2.168 2.168 . 0 0 "[ ]" 1
932 1 78 LYS QE 1 78 LYS QG 2.299 . 2.960 2.137 2.137 2.137 . 0 0 "[ ]" 1
933 1 78 LYS QE 1 80 LEU HB2 2.405 . 3.128 3.187 3.187 3.187 0.059 1 0 "[ ]" 1
934 1 78 LYS HE3 1 78 LYS HG2 2.085 . 2.628 2.242 2.242 2.242 . 0 0 "[ ]" 1
935 1 78 LYS QG 1 79 ASP H 3.176 . 4.437 4.422 4.422 4.422 . 0 0 "[ ]" 1
936 1 79 ASP H 1 79 ASP HA 2.394 . 3.110 2.791 2.791 2.791 . 0 0 "[ ]" 1
937 1 79 ASP H 1 79 ASP HB2 2.407 . 3.131 2.488 2.488 2.488 . 0 0 "[ ]" 1
938 1 79 ASP H 1 79 ASP HB3 2.630 . 3.495 3.567 3.567 3.567 0.072 1 0 "[ ]" 1
939 1 79 ASP H 1 81 GLU H 3.318 . 4.694 4.398 4.398 4.398 . 0 0 "[ ]" 1
940 1 79 ASP HA 1 79 ASP HB2 2.311 . 2.979 3.010 3.010 3.010 0.031 1 0 "[ ]" 1
941 1 79 ASP HA 1 79 ASP HB3 2.114 . 2.673 2.471 2.471 2.471 . 0 0 "[ ]" 1
942 1 79 ASP HA 1 80 LEU H 2.450 . 3.200 3.260 3.260 3.260 0.060 1 0 "[ ]" 1
943 1 79 ASP HA 1 81 GLU H 3.319 . 4.696 3.389 3.389 3.389 . 0 0 "[ ]" 1
944 1 79 ASP HB2 1 80 LEU H 3.078 . 4.262 3.277 3.277 3.277 . 0 0 "[ ]" 1
945 1 79 ASP HB2 1 80 LEU MD2 2.455 . 3.208 3.047 3.047 3.047 . 0 0 "[ ]" 1
946 1 79 ASP HB3 1 80 LEU H 3.243 . 4.558 4.121 4.121 4.121 . 0 0 "[ ]" 1
947 1 80 LEU H 1 80 LEU HA 2.800 . 3.780 2.817 2.817 2.817 . 0 0 "[ ]" 1
948 1 80 LEU H 1 80 LEU HB2 2.546 . 3.356 2.137 2.137 2.137 . 0 0 "[ ]" 1
949 1 80 LEU H 1 80 LEU HB3 2.731 . 3.663 3.448 3.448 3.448 . 0 0 "[ ]" 1
950 1 80 LEU H 1 80 LEU MD2 3.040 . 4.196 2.272 2.272 2.272 . 0 0 "[ ]" 1
951 1 80 LEU H 1 80 LEU HG 2.800 . 3.780 3.733 3.733 3.733 . 0 0 "[ ]" 1
952 1 80 LEU HA 1 81 GLU H 2.842 . 3.852 3.410 3.410 3.410 . 0 0 "[ ]" 1
953 1 80 LEU HA 1 82 ALA H 3.222 . 4.520 3.497 3.497 3.497 . 0 0 "[ ]" 1
954 1 80 LEU HA 1 83 PHE H 3.301 . 4.663 3.115 3.115 3.115 . 0 0 "[ ]" 1
955 1 80 LEU HA 1 83 PHE QE 2.403 . 3.125 3.018 3.018 3.018 . 0 0 "[ ]" 1
956 1 80 LEU HB2 1 80 LEU MD2 2.342 . 3.027 2.619 2.619 2.619 . 0 0 "[ ]" 1
957 1 80 LEU HB3 1 80 LEU MD1 2.213 . 2.825 2.210 2.210 2.210 . 0 0 "[ ]" 1
958 1 80 LEU HB3 1 81 GLU H 3.081 . 4.268 3.793 3.793 3.793 . 0 0 "[ ]" 1
959 1 80 LEU MD1 1 80 LEU HG 2.394 . 3.110 2.122 2.122 2.122 . 0 0 "[ ]" 1
960 1 80 LEU MD1 1 83 PHE HD2 2.499 . 3.279 2.456 2.456 2.456 . 0 0 "[ ]" 1
961 1 80 LEU MD2 1 80 LEU HG 2.077 . 2.616 2.132 2.132 2.132 . 0 0 "[ ]" 1
962 1 80 LEU MD2 1 83 PHE QD 2.404 . 3.126 2.722 2.722 2.722 . 0 0 "[ ]" 1
963 1 80 LEU MD2 1 83 PHE QE 2.161 . 2.745 2.766 2.766 2.766 0.021 1 0 "[ ]" 1
964 1 81 GLU H 1 81 GLU HA 2.209 . 2.819 2.746 2.746 2.746 . 0 0 "[ ]" 1
965 1 81 GLU H 1 81 GLU HB2 2.194 . 2.796 2.468 2.468 2.468 . 0 0 "[ ]" 1
966 1 81 GLU H 1 81 GLU QB 2.160 . 2.743 2.425 2.425 2.425 . 0 0 "[ ]" 1
967 1 81 GLU H 1 81 GLU HG2 2.507 . 3.293 3.317 3.317 3.317 0.024 1 0 "[ ]" 1
968 1 81 GLU HA 1 81 GLU QB 2.122 . 2.685 2.393 2.393 2.393 . 0 0 "[ ]" 1
969 1 81 GLU HA 1 81 GLU HG2 2.249 . 2.882 2.475 2.475 2.475 . 0 0 "[ ]" 1
970 1 81 GLU HA 1 82 ALA H 2.727 . 3.656 3.483 3.483 3.483 . 0 0 "[ ]" 1
971 1 81 GLU HA 1 83 PHE H 3.162 . 4.412 4.228 4.228 4.228 . 0 0 "[ ]" 1
972 1 81 GLU HB3 1 82 ALA H 2.648 . 3.525 3.638 3.638 3.638 0.113 1 0 "[ ]" 1
973 1 81 GLU HG3 1 82 ALA H 3.380 . 4.808 4.383 4.383 4.383 . 0 0 "[ ]" 1
974 1 82 ALA H 1 82 ALA HA 2.392 . 2.639 2.780 2.780 2.780 0.141 1 0 "[ ]" 1
975 1 82 ALA H 1 82 ALA MB 1.835 . 2.256 2.148 2.148 2.148 . 0 0 "[ ]" 1
976 1 82 ALA H 1 83 PHE HE2 3.165 . 4.417 4.438 4.438 4.438 0.021 1 0 "[ ]" 1
977 1 82 ALA HA 1 82 ALA MB 1.747 . 2.129 2.115 2.115 2.115 . 0 0 "[ ]" 1
978 1 82 ALA HA 1 83 PHE H 2.820 . 3.814 3.512 3.512 3.512 . 0 0 "[ ]" 1
979 1 82 ALA MB 1 83 PHE H 2.712 . 3.631 2.653 2.653 2.653 . 0 0 "[ ]" 1
980 1 82 ALA MB 1 83 PHE QE 2.308 . 2.974 3.005 3.005 3.005 0.031 1 0 "[ ]" 1
981 1 83 PHE H 1 83 PHE HA 2.653 . 3.533 2.932 2.932 2.932 . 0 0 "[ ]" 1
982 1 83 PHE H 1 83 PHE HB2 2.841 . 3.850 2.682 2.682 2.682 . 0 0 "[ ]" 1
983 1 83 PHE H 1 83 PHE HB3 2.624 . 3.485 3.690 3.690 3.690 0.205 1 0 "[ ]" 1
984 1 83 PHE H 1 83 PHE QD 3.128 . 4.351 2.306 2.306 2.306 . 0 0 "[ ]" 1
985 1 83 PHE H 1 83 PHE HD2 3.073 . 4.253 2.312 2.312 2.312 . 0 0 "[ ]" 1
986 1 83 PHE H 1 84 ASN H 3.287 . 4.638 4.545 4.545 4.545 . 0 0 "[ ]" 1
987 1 83 PHE HA 1 84 ASN H 2.322 . 2.996 2.266 2.266 2.266 . 0 0 "[ ]" 1
988 1 83 PHE HB2 1 84 ASN H 2.865 . 3.891 3.760 3.760 3.760 . 0 0 "[ ]" 1
989 1 83 PHE HB3 1 84 ASN H 3.172 . 4.429 2.936 2.936 2.936 . 0 0 "[ ]" 1
990 1 83 PHE QE 1 91 LEU QD 2.477 . 3.244 2.541 2.541 2.541 . 0 0 "[ ]" 1
991 1 84 ASN H 1 84 ASN HB3 2.827 . 3.826 2.994 2.994 2.994 . 0 0 "[ ]" 1
992 1 84 ASN H 1 85 PRO HA 3.200 . 4.480 4.631 4.631 4.631 0.151 1 0 "[ ]" 1
993 1 84 ASN HA 1 84 ASN HB2 2.474 . 3.239 2.563 2.563 2.563 . 0 0 "[ ]" 1
994 1 84 ASN HA 1 84 ASN QB 2.472 . 3.236 2.431 2.431 2.431 . 0 0 "[ ]" 1
995 1 84 ASN HA 1 85 PRO QD 2.194 . 2.796 2.016 2.016 2.016 . 0 0 "[ ]" 1
996 1 84 ASN HA 1 86 GLU H 3.319 . 4.696 3.711 3.711 3.711 . 0 0 "[ ]" 1
997 1 84 ASN HB3 1 87 SER H 3.081 . 4.268 4.178 4.178 4.178 . 0 0 "[ ]" 1
998 1 85 PRO HA 1 85 PRO HB3 2.161 . 2.745 2.316 2.316 2.316 . 0 0 "[ ]" 1
999 1 85 PRO HA 1 86 GLU H 2.672 . 3.564 3.355 3.355 3.355 . 0 0 "[ ]" 1
1000 1 85 PRO HA 1 87 SER H 2.333 . 3.013 3.064 3.064 3.064 0.051 1 0 "[ ]" 1
1001 1 85 PRO HB2 1 85 PRO QD 2.442 . 3.188 3.553 3.553 3.553 0.365 1 0 "[ ]" 1
1002 1 85 PRO HB2 1 85 PRO HG2 1.903 . 2.356 2.324 2.324 2.324 . 0 0 "[ ]" 1
1003 1 85 PRO HD2 1 86 GLU H 3.288 . 4.639 2.744 2.744 2.744 . 0 0 "[ ]" 1
1004 1 85 PRO QG 1 86 GLU H 3.391 . 4.829 3.092 3.092 3.092 . 0 0 "[ ]" 1
1005 1 86 GLU H 1 86 GLU HA 2.647 . 3.523 2.917 2.917 2.917 . 0 0 "[ ]" 1
1006 1 86 GLU H 1 86 GLU HB3 2.521 . 3.315 2.606 2.606 2.606 . 0 0 "[ ]" 1
1007 1 86 GLU H 1 86 GLU QG 3.013 . 3.573 2.296 2.296 2.296 . 0 0 "[ ]" 1
1008 1 86 GLU H 1 87 SER H 2.237 . 2.863 2.702 2.702 2.702 . 0 0 "[ ]" 1
1009 1 86 GLU HA 1 86 GLU HB2 2.089 . 2.634 2.349 2.349 2.349 . 0 0 "[ ]" 1
1010 1 86 GLU HA 1 86 GLU HB3 2.372 . 3.075 2.534 2.534 2.534 . 0 0 "[ ]" 1
1011 1 86 GLU HA 1 86 GLU QG 2.244 . 2.873 3.277 3.277 3.277 0.404 1 0 "[ ]" 1
1012 1 86 GLU HA 1 87 SER H 2.697 . 3.606 2.899 2.899 2.899 . 0 0 "[ ]" 1
1013 1 86 GLU HB3 1 87 SER H 3.054 . 4.220 4.420 4.420 4.420 0.200 1 0 "[ ]" 1
1014 1 86 GLU HB3 1 87 SER H 3.117 . 4.331 4.249 4.249 4.249 . 0 0 "[ ]" 1
1015 1 86 GLU QG 1 87 SER H 3.076 . 4.258 3.602 3.602 3.602 . 0 0 "[ ]" 1
1016 1 87 SER H 1 87 SER HA 2.530 . 3.330 2.859 2.859 2.859 . 0 0 "[ ]" 1
1017 1 87 SER H 1 88 LYS HG3 2.963 . 4.060 4.002 4.002 4.002 . 0 0 "[ ]" 1
1018 1 87 SER HA 1 89 GLU H 2.993 . 4.112 4.319 4.319 4.319 0.207 1 0 "[ ]" 1
1019 1 88 LYS HA 1 88 LYS HB2 2.321 . 2.994 3.017 3.017 3.017 0.023 1 0 "[ ]" 1
1020 1 88 LYS HA 1 88 LYS HG3 2.307 . 2.972 2.946 2.946 2.946 . 0 0 "[ ]" 1
1021 1 88 LYS HA 1 89 GLU H 2.809 . 3.795 2.615 2.615 2.615 . 0 0 "[ ]" 1
1022 1 88 LYS HB3 1 89 GLU H 3.237 . 4.547 4.377 4.377 4.377 . 0 0 "[ ]" 1
1023 1 88 LYS QE 1 90 LEU MD2 2.439 . 3.183 3.241 3.241 3.241 0.058 1 0 "[ ]" 1
1024 1 89 GLU H 1 89 GLU HA 2.641 . 3.513 2.891 2.891 2.891 . 0 0 "[ ]" 1
1025 1 89 GLU H 1 89 GLU HB2 2.694 . 3.601 2.459 2.459 2.459 . 0 0 "[ ]" 1
1026 1 89 GLU H 1 89 GLU HB3 2.512 . 3.301 3.631 3.631 3.631 0.330 1 0 "[ ]" 1
1027 1 89 GLU HA 1 89 GLU HB2 2.468 . 3.229 3.019 3.019 3.019 . 0 0 "[ ]" 1
1028 1 89 GLU HA 1 90 LEU H 1.950 . 2.425 2.759 2.759 2.759 0.334 1 0 "[ ]" 1
1029 1 89 GLU HB2 1 90 LEU H 2.644 . 3.518 3.938 3.938 3.938 0.420 1 0 "[ ]" 1
1030 1 89 GLU HB3 1 90 LEU H 2.958 . 4.051 4.323 4.323 4.323 0.272 1 0 "[ ]" 1
1031 1 90 LEU H 1 90 LEU HA 2.961 . 4.057 2.247 2.247 2.247 . 0 0 "[ ]" 1
1032 1 90 LEU H 1 90 LEU HB2 2.815 . 3.806 3.344 3.344 3.344 . 0 0 "[ ]" 1
1033 1 90 LEU H 1 90 LEU HB3 2.885 . 3.926 3.929 3.929 3.929 0.003 1 0 "[ ]" 1
1034 1 90 LEU H 1 90 LEU MD1 3.015 . 4.151 4.256 4.256 4.256 0.105 1 0 "[ ]" 1
1035 1 90 LEU H 1 90 LEU MD2 2.288 . 2.943 2.431 2.431 2.431 . 0 0 "[ ]" 1
1036 1 90 LEU HA 1 90 LEU HB2 2.672 . 3.565 2.991 2.991 2.991 . 0 0 "[ ]" 1
1037 1 90 LEU HA 1 90 LEU HB3 2.657 . 3.540 2.472 2.472 2.472 . 0 0 "[ ]" 1
1038 1 90 LEU HA 1 90 LEU MD2 2.142 . 2.715 1.966 1.966 1.966 . 0 0 "[ ]" 1
1039 1 90 LEU HA 1 91 LEU H 2.350 . 3.041 2.219 2.219 2.219 . 0 0 "[ ]" 1
1040 1 90 LEU HB2 1 90 LEU MD1 2.594 . 3.435 2.490 2.490 2.490 . 0 0 "[ ]" 1
1041 1 90 LEU HB2 1 90 LEU MD2 2.861 . 3.884 3.203 3.203 3.203 . 0 0 "[ ]" 1
1042 1 90 LEU HB2 1 91 LEU H 3.221 . 3.819 3.628 3.628 3.628 . 0 0 "[ ]" 1
1043 1 90 LEU HB3 1 90 LEU MD1 3.022 . 4.164 2.120 2.120 2.120 . 0 0 "[ ]" 1
1044 1 90 LEU HB3 1 90 LEU MD2 2.141 . 2.714 2.495 2.495 2.495 . 0 0 "[ ]" 1
1045 1 90 LEU HB3 1 91 LEU H 2.973 . 4.078 2.328 2.328 2.328 . 0 0 "[ ]" 1
1046 1 90 LEU MD1 1 91 LEU H 3.403 . 4.850 3.963 3.963 3.963 . 0 0 "[ ]" 1
1047 1 90 LEU MD2 1 91 LEU H 2.299 . 2.960 3.007 3.007 3.007 0.047 1 0 "[ ]" 1
1048 1 91 LEU H 1 91 LEU HA 2.887 . 3.929 2.941 2.941 2.941 . 0 0 "[ ]" 1
1049 1 91 LEU H 1 91 LEU HB2 2.797 . 3.648 2.760 2.760 2.760 . 0 0 "[ ]" 1
1050 1 91 LEU H 1 91 LEU HB2 2.687 . 3.590 2.688 2.688 2.688 . 0 0 "[ ]" 1
1051 1 91 LEU H 1 91 LEU HB3 2.994 . 4.114 3.698 3.698 3.698 . 0 0 "[ ]" 1
1052 1 91 LEU H 1 91 LEU QD 3.238 . 4.038 1.738 1.738 1.738 0.201 1 0 "[ ]" 1
1053 1 91 LEU H 1 91 LEU HG 3.175 . 4.435 3.704 3.704 3.704 . 0 0 "[ ]" 1
1054 1 91 LEU H 1 92 ASP H 3.349 . 4.751 4.122 4.122 4.122 . 0 0 "[ ]" 1
1055 1 91 LEU H 1 92 ASP HA 3.355 . 4.762 4.400 4.400 4.400 . 0 0 "[ ]" 1
1056 1 91 LEU H 1 93 LEU MD1 3.120 . 4.337 4.399 4.399 4.399 0.062 1 0 "[ ]" 1
1057 1 91 LEU HA 1 91 LEU HB3 2.696 . 3.605 2.351 2.351 2.351 . 0 0 "[ ]" 1
1058 1 91 LEU HA 1 91 LEU QD 2.063 . 2.595 2.462 2.462 2.462 . 0 0 "[ ]" 1
1059 1 91 LEU HB2 1 91 LEU QD 2.689 . 3.593 2.392 2.392 2.392 . 0 0 "[ ]" 1
1060 1 91 LEU HB2 1 92 ASP H 3.059 . 4.228 2.138 2.138 2.138 . 0 0 "[ ]" 1
1061 1 91 LEU HB2 1 92 ASP HB2 3.450 . 4.938 4.960 4.960 4.960 0.022 1 0 "[ ]" 1
1062 1 91 LEU HB2 1 93 LEU HG 2.487 . 3.260 2.978 2.978 2.978 . 0 0 "[ ]" 1
1063 1 91 LEU HB3 1 91 LEU QD 2.239 . 2.866 2.242 2.242 2.242 . 0 0 "[ ]" 1
1064 1 91 LEU HB3 1 92 ASP H 2.897 . 3.946 1.892 1.892 1.892 . 0 0 "[ ]" 1
1065 1 91 LEU HB3 1 92 ASP HA 3.178 . 4.441 4.362 4.362 4.362 . 0 0 "[ ]" 1
1066 1 91 LEU QD 1 91 LEU HG 2.075 . 2.594 1.808 1.808 1.808 . 0 0 "[ ]" 1
1067 1 91 LEU QD 1 92 ASP H 3.500 . 5.031 3.538 3.538 3.538 . 0 0 "[ ]" 1
1068 1 91 LEU HG 1 93 LEU MD1 2.674 . 3.568 3.567 3.567 3.567 . 0 0 "[ ]" 1
1069 1 92 ASP H 1 92 ASP HA 2.726 . 3.655 2.818 2.818 2.818 . 0 0 "[ ]" 1
1070 1 92 ASP H 1 92 ASP HB2 2.568 . 3.392 3.020 3.020 3.020 . 0 0 "[ ]" 1
1071 1 92 ASP H 1 92 ASP HB3 2.859 . 3.881 3.902 3.902 3.902 0.021 1 0 "[ ]" 1
1072 1 92 ASP H 1 93 LEU H 3.621 . 5.260 4.143 4.143 4.143 . 0 0 "[ ]" 1
1073 1 92 ASP H 1 93 LEU MD1 3.230 . 4.534 4.573 4.573 4.573 0.039 1 0 "[ ]" 1
1074 1 92 ASP HA 1 92 ASP HB2 2.849 . 3.864 3.056 3.056 3.056 . 0 0 "[ ]" 1
1075 1 92 ASP HA 1 92 ASP HB3 2.584 . 3.419 2.514 2.514 2.514 . 0 0 "[ ]" 1
1076 1 92 ASP HA 1 93 LEU H 2.139 . 2.711 2.204 2.204 2.204 . 0 0 "[ ]" 1
1077 1 92 ASP HA 1 93 LEU HA 3.175 . 4.435 4.387 4.387 4.387 . 0 0 "[ ]" 1
1078 1 92 ASP HA 1 93 LEU HB2 3.643 . 5.302 4.394 4.394 4.394 . 0 0 "[ ]" 1
1079 1 92 ASP HA 1 93 LEU HB2 3.639 . 5.295 3.976 3.976 3.976 . 0 0 "[ ]" 1
1080 1 92 ASP HA 1 93 LEU HG 3.045 . 4.204 3.634 3.634 3.634 . 0 0 "[ ]" 1
1081 1 92 ASP HB2 1 93 LEU H 3.338 . 4.731 3.936 3.936 3.936 . 0 0 "[ ]" 1
1082 1 92 ASP HB3 1 93 LEU H 3.120 . 4.337 2.724 2.724 2.724 . 0 0 "[ ]" 1
1083 1 93 LEU H 1 93 LEU HA 2.951 . 4.039 2.927 2.927 2.927 . 0 0 "[ ]" 1
1084 1 93 LEU H 1 93 LEU HB2 2.978 . 4.087 2.754 2.754 2.754 . 0 0 "[ ]" 1
1085 1 93 LEU H 1 93 LEU HB3 3.182 . 4.448 3.844 3.844 3.844 . 0 0 "[ ]" 1
1086 1 93 LEU H 1 93 LEU MD1 3.262 . 3.869 3.796 3.796 3.796 . 0 0 "[ ]" 1
1087 1 93 LEU H 1 93 LEU MD2 3.268 . 4.603 4.230 4.230 4.230 . 0 0 "[ ]" 1
1088 1 93 LEU H 1 93 LEU HG 2.839 . 3.847 3.204 3.204 3.204 . 0 0 "[ ]" 1
1089 1 93 LEU H 1 94 VAL H 3.602 . 5.224 4.347 4.347 4.347 . 0 0 "[ ]" 1
1090 1 93 LEU HA 1 93 LEU HB2 2.963 . 4.060 3.013 3.013 3.013 . 0 0 "[ ]" 1
1091 1 93 LEU HA 1 93 LEU HB3 2.898 . 3.948 2.463 2.463 2.463 . 0 0 "[ ]" 1
1092 1 93 LEU HA 1 93 LEU MD1 3.183 . 4.067 3.876 3.876 3.876 . 0 0 "[ ]" 1
1093 1 93 LEU HA 1 93 LEU MD2 2.131 . 2.699 2.300 2.300 2.300 . 0 0 "[ ]" 1
1094 1 93 LEU HA 1 94 VAL H 2.396 . 3.113 2.257 2.257 2.257 . 0 0 "[ ]" 1
1095 1 93 LEU HA 1 94 VAL HA 3.153 . 4.396 4.411 4.411 4.411 0.015 1 0 "[ ]" 1
1096 1 93 LEU HA 1 94 VAL MG2 3.055 . 4.222 3.767 3.767 3.767 . 0 0 "[ ]" 1
1097 1 93 LEU HB2 1 93 LEU MD1 3.021 . 4.162 2.100 2.100 2.100 . 0 0 "[ ]" 1
1098 1 93 LEU HB2 1 93 LEU MD2 3.261 . 4.591 3.136 3.136 3.136 . 0 0 "[ ]" 1
1099 1 93 LEU HB3 1 93 LEU MD1 2.315 . 2.985 2.579 2.579 2.579 . 0 0 "[ ]" 1
1100 1 93 LEU HB3 1 93 LEU MD2 2.163 . 2.748 2.212 2.212 2.212 . 0 0 "[ ]" 1
1101 1 93 LEU HB3 1 93 LEU HG 2.792 . 3.766 2.997 2.997 2.997 . 0 0 "[ ]" 1
1102 1 93 LEU HB3 1 94 VAL H 2.847 . 3.860 2.725 2.725 2.725 . 0 0 "[ ]" 1
1103 1 93 LEU HB3 1 94 VAL HA 2.973 . 4.078 3.988 3.988 3.988 . 0 0 "[ ]" 1
1104 1 93 LEU MD1 1 93 LEU MD2 1.930 . 2.396 2.073 2.073 2.073 . 0 0 "[ ]" 1
1105 1 93 LEU MD1 1 94 VAL H 3.708 . 5.426 4.821 4.821 4.821 . 0 0 "[ ]" 1
1106 1 93 LEU MD2 1 93 LEU HG 2.065 . 2.598 2.127 2.127 2.127 . 0 0 "[ ]" 1
1107 1 94 VAL H 1 94 VAL HA 2.749 . 3.694 2.920 2.920 2.920 . 0 0 "[ ]" 1
1108 1 94 VAL H 1 94 VAL HB 3.082 . 4.269 3.878 3.878 3.878 . 0 0 "[ ]" 1
1109 1 94 VAL H 1 94 VAL MG1 2.376 . 3.082 2.990 2.990 2.990 . 0 0 "[ ]" 1
1110 1 94 VAL H 1 94 VAL QG 2.350 . 3.040 2.253 2.253 2.253 . 0 0 "[ ]" 1
1111 1 94 VAL HA 1 94 VAL HB 2.334 . 3.015 2.437 2.437 2.437 . 0 0 "[ ]" 1
1112 1 94 VAL HA 1 94 VAL MG1 2.358 . 3.029 2.384 2.384 2.384 . 0 0 "[ ]" 1
1113 1 94 VAL HA 1 94 VAL QG 2.341 . 3.026 2.321 2.321 2.321 . 0 0 "[ ]" 1
1114 1 94 VAL HA 1 95 GLU H 2.165 . 2.751 2.188 2.188 2.188 . 0 0 "[ ]" 1
1115 1 94 VAL HA 1 95 GLU HA 3.334 . 4.723 4.189 4.189 4.189 . 0 0 "[ ]" 1
1116 1 94 VAL HB 1 94 VAL MG1 2.277 . 2.925 2.118 2.118 2.118 . 0 0 "[ ]" 1
1117 1 94 VAL HB 1 94 VAL MG2 2.125 . 2.690 2.110 2.110 2.110 . 0 0 "[ ]" 1
1118 1 94 VAL HB 1 95 GLU H 3.078 . 4.262 2.655 2.655 2.655 . 0 0 "[ ]" 1
1119 1 94 VAL QG 1 95 GLU H 2.997 . 4.120 3.226 3.226 3.226 . 0 0 "[ ]" 1
1120 1 94 VAL MG2 1 95 GLU H 2.708 . 3.624 3.530 3.530 3.530 . 0 0 "[ ]" 1
1121 1 95 GLU H 1 95 GLU HA 2.613 . 3.466 2.866 2.866 2.866 . 0 0 "[ ]" 1
1122 1 95 GLU H 1 95 GLU HB2 2.699 . 3.610 2.575 2.575 2.575 . 0 0 "[ ]" 1
1123 1 95 GLU H 1 95 GLU HB3 2.692 . 3.598 2.507 2.507 2.507 . 0 0 "[ ]" 1
1124 1 95 GLU HA 1 95 GLU HB3 2.482 . 3.252 3.033 3.033 3.033 . 0 0 "[ ]" 1
1125 1 95 GLU HA 1 96 PHE H 2.303 . 2.966 1.906 1.906 1.906 . 0 0 "[ ]" 1
1126 1 95 GLU HA 1 96 PHE HB2 3.553 . 5.131 5.287 5.287 5.287 0.156 1 0 "[ ]" 1
1127 1 95 GLU HB3 1 96 PHE H 3.323 . 4.703 4.094 4.094 4.094 . 0 0 "[ ]" 1
1128 1 96 PHE H 1 96 PHE HB2 2.677 . 3.573 3.428 3.428 3.428 . 0 0 "[ ]" 1
1129 1 96 PHE H 1 96 PHE HB3 2.771 . 3.731 2.337 2.337 2.337 . 0 0 "[ ]" 1
1130 1 96 PHE H 1 96 PHE QD 3.322 . 4.702 1.962 1.962 1.962 . 0 0 "[ ]" 1
1131 1 96 PHE H 1 97 THR H 3.735 . 5.478 4.578 4.578 4.578 . 0 0 "[ ]" 1
1132 1 96 PHE H 1 97 THR MG 3.619 . 5.256 5.302 5.302 5.302 0.046 1 0 "[ ]" 1
1133 1 96 PHE H 1 100 ILE MG 3.769 . 5.545 4.769 4.769 4.769 . 0 0 "[ ]" 1
1134 1 96 PHE HA 1 96 PHE QD 2.769 . 3.728 3.547 3.547 3.547 . 0 0 "[ ]" 1
1135 1 96 PHE HA 1 97 THR H 2.510 . 3.298 2.444 2.444 2.444 . 0 0 "[ ]" 1
1136 1 96 PHE HA 1 100 ILE HG13 3.322 . 4.701 4.160 4.160 4.160 . 0 0 "[ ]" 1
1137 1 96 PHE HA 1 100 ILE MG 2.630 . 3.494 3.547 3.547 3.547 0.053 1 0 "[ ]" 1
1138 1 96 PHE HB2 1 96 PHE QD 3.230 . 4.535 2.354 2.354 2.354 . 0 0 "[ ]" 1
1139 1 96 PHE HB2 1 97 THR H 3.523 . 5.075 2.477 2.477 2.477 . 0 0 "[ ]" 1
1140 1 96 PHE HB2 1 100 ILE MG 3.691 . 5.394 1.901 1.901 1.901 0.087 1 0 "[ ]" 1
1141 1 96 PHE HB3 1 96 PHE QD 3.285 . 4.634 2.686 2.686 2.686 . 0 0 "[ ]" 1
1142 1 96 PHE QD 1 100 ILE MG 2.290 . 2.945 1.864 1.864 1.864 . 0 0 "[ ]" 1
1143 1 96 PHE HD2 1 97 THR H 3.174 . 4.433 4.521 4.521 4.521 0.088 1 0 "[ ]" 1
1144 1 97 THR H 1 97 THR HA 2.867 . 3.894 2.914 2.914 2.914 . 0 0 "[ ]" 1
1145 1 97 THR H 1 97 THR MG 2.520 . 3.314 2.232 2.232 2.232 . 0 0 "[ ]" 1
1146 1 97 THR H 1 100 ILE H 3.249 . 4.568 3.442 3.442 3.442 . 0 0 "[ ]" 1
1147 1 97 THR H 1 100 ILE HB 2.671 . 3.563 1.954 1.954 1.954 . 0 0 "[ ]" 1
1148 1 97 THR H 1 100 ILE MD 3.506 . 5.043 4.087 4.087 4.087 . 0 0 "[ ]" 1
1149 1 97 THR H 1 100 ILE HG12 3.196 . 4.473 3.516 3.516 3.516 . 0 0 "[ ]" 1
1150 1 97 THR H 1 100 ILE HG13 3.097 . 4.296 2.592 2.592 2.592 . 0 0 "[ ]" 1
1151 1 97 THR H 1 100 ILE MG 2.803 . 3.785 3.019 3.019 3.019 . 0 0 "[ ]" 1
1152 1 97 THR H 1 101 GLN H 3.590 . 5.201 3.777 3.777 3.777 . 0 0 "[ ]" 1
1153 1 97 THR HA 1 97 THR HB 2.567 . 3.391 2.397 2.397 2.397 . 0 0 "[ ]" 1
1154 1 97 THR HA 1 97 THR MG 2.109 . 2.665 2.412 2.412 2.412 . 0 0 "[ ]" 1
1155 1 97 THR HB 1 97 THR MG 2.182 . 2.777 2.136 2.136 2.136 . 0 0 "[ ]" 1
1156 1 97 THR MG 1 100 ILE H 3.466 . 4.968 4.043 4.043 4.043 . 0 0 "[ ]" 1
1157 1 97 THR MG 1 100 ILE HG13 2.217 . 2.831 2.853 2.853 2.853 0.022 1 0 "[ ]" 1
1158 1 99 GLU HA 1 99 GLU HB2 2.304 . 2.968 2.507 2.507 2.507 . 0 0 "[ ]" 1
1159 1 99 GLU HA 1 99 GLU HB3 2.291 . 2.947 3.024 3.024 3.024 0.077 1 0 "[ ]" 1
1160 1 99 GLU HA 1 99 GLU HG3 2.100 . 2.651 2.512 2.512 2.512 . 0 0 "[ ]" 1
1161 1 99 GLU HA 1 100 ILE H 2.989 . 4.106 3.484 3.484 3.484 . 0 0 "[ ]" 1
1162 1 99 GLU HA 1 102 THR H 2.851 . 3.867 3.867 3.867 3.867 . 1 0 "[ ]" 1
1163 1 99 GLU HA 1 102 THR HB 2.466 . 3.226 2.956 2.956 2.956 . 0 0 "[ ]" 1
1164 1 99 GLU HA 1 102 THR MG 3.000 . 4.125 4.194 4.194 4.194 0.069 1 0 "[ ]" 1
1165 1 99 GLU HA 1 103 LEU H 3.150 . 4.390 3.872 3.872 3.872 . 0 0 "[ ]" 1
1166 1 99 GLU HB2 1 100 ILE H 2.869 . 3.898 3.617 3.617 3.617 . 0 0 "[ ]" 1
1167 1 99 GLU HB3 1 100 ILE H 2.819 . 3.813 2.257 2.257 2.257 . 0 0 "[ ]" 1
1168 1 99 GLU HB3 1 100 ILE HG13 2.722 . 3.648 3.772 3.772 3.772 0.124 1 0 "[ ]" 1
1169 1 99 GLU QG 1 100 ILE HA 2.637 . 3.506 2.786 2.786 2.786 . 0 0 "[ ]" 1
1170 1 99 GLU QG 1 100 ILE MD 2.372 . 3.075 3.102 3.102 3.102 0.027 1 0 "[ ]" 1
1171 1 99 GLU QG 1 100 ILE MD 2.374 . 3.079 3.099 3.099 3.099 0.020 1 0 "[ ]" 1
1172 1 99 GLU QG 1 115 ASP HB3 2.656 . 3.538 3.212 3.212 3.212 . 0 0 "[ ]" 1
1173 1 99 GLU HG2 1 103 LEU MD2 2.790 . 3.763 2.891 2.891 2.891 . 0 0 "[ ]" 1
1174 1 100 ILE H 1 100 ILE HA 2.411 . 3.137 2.848 2.848 2.848 . 0 0 "[ ]" 1
1175 1 100 ILE H 1 100 ILE HB 2.423 . 3.157 2.302 2.302 2.302 . 0 0 "[ ]" 1
1176 1 100 ILE H 1 100 ILE MD 3.100 . 4.301 3.611 3.611 3.611 . 0 0 "[ ]" 1
1177 1 100 ILE H 1 100 ILE HG12 2.732 . 3.665 2.146 2.146 2.146 . 0 0 "[ ]" 1
1178 1 100 ILE H 1 100 ILE HG13 2.919 . 3.984 3.281 3.281 3.281 . 0 0 "[ ]" 1
1179 1 100 ILE H 1 101 GLN H 2.534 . 3.337 2.576 2.576 2.576 . 0 0 "[ ]" 1
1180 1 100 ILE H 1 102 THR HB 3.494 . 5.020 4.907 4.907 4.907 . 0 0 "[ ]" 1
1181 1 100 ILE HA 1 100 ILE HB 2.640 . 3.511 3.003 3.003 3.003 . 0 0 "[ ]" 1
1182 1 100 ILE HA 1 100 ILE MD 2.258 . 2.895 2.176 2.176 2.176 . 0 0 "[ ]" 1
1183 1 100 ILE HA 1 100 ILE HG13 2.925 . 3.994 3.669 3.669 3.669 . 0 0 "[ ]" 1
1184 1 100 ILE HA 1 100 ILE MG 2.337 . 3.020 2.453 2.453 2.453 . 0 0 "[ ]" 1
1185 1 100 ILE HA 1 101 GLN H 2.862 . 3.886 2.909 2.909 2.909 . 0 0 "[ ]" 1
1186 1 100 ILE HA 1 101 GLN H 2.859 . 3.880 2.979 2.979 2.979 . 0 0 "[ ]" 1
1187 1 100 ILE HA 1 103 LEU H 2.914 . 3.975 3.033 3.033 3.033 . 0 0 "[ ]" 1
1188 1 100 ILE HA 1 103 LEU QB 2.259 . 2.897 1.944 1.944 1.944 . 0 0 "[ ]" 1
1189 1 100 ILE HB 1 100 ILE HG12 2.785 . 3.754 2.565 2.565 2.565 . 0 0 "[ ]" 1
1190 1 100 ILE HB 1 100 ILE HG13 2.617 . 3.473 2.357 2.357 2.357 . 0 0 "[ ]" 1
1191 1 100 ILE HB 1 101 GLN H 2.832 . 3.834 2.479 2.479 2.479 . 0 0 "[ ]" 1
1192 1 100 ILE MD 1 100 ILE HG13 2.379 . 3.086 2.128 2.128 2.128 . 0 0 "[ ]" 1
1193 1 100 ILE HG12 1 100 ILE MG 2.745 . 3.687 3.201 3.201 3.201 . 0 0 "[ ]" 1
1194 1 100 ILE MG 1 101 GLN H 3.055 . 3.080 3.184 3.184 3.184 0.104 1 0 "[ ]" 1
1195 1 100 ILE MG 1 101 GLN H 2.373 . 3.077 2.951 2.951 2.951 . 0 0 "[ ]" 1
1196 1 100 ILE MG 1 101 GLN HA 2.921 . 3.987 3.531 3.531 3.531 . 0 0 "[ ]" 1
1197 1 100 ILE MG 1 104 LEU MD1 2.093 . 2.640 2.697 2.697 2.697 0.057 1 0 "[ ]" 1
1198 1 101 GLN H 1 101 GLN HA 2.567 . 3.390 2.794 2.794 2.794 . 0 0 "[ ]" 1
1199 1 101 GLN H 1 101 GLN HB2 2.266 . 2.908 2.528 2.528 2.528 . 0 0 "[ ]" 1
1200 1 101 GLN H 1 101 GLN HB3 2.394 . 3.110 2.473 2.473 2.473 . 0 0 "[ ]" 1
1201 1 101 GLN HA 1 101 GLN HB3 2.746 . 3.689 3.027 3.027 3.027 . 0 0 "[ ]" 1
1202 1 101 GLN HA 1 102 THR H 2.452 . 3.203 2.752 2.752 2.752 . 0 0 "[ ]" 1
1203 1 101 GLN HA 1 104 LEU H 3.032 . 4.181 4.077 4.077 4.077 . 0 0 "[ ]" 1
1204 1 101 GLN HA 1 105 GLY H 2.305 . 2.969 3.019 3.019 3.019 0.050 1 0 "[ ]" 1
1205 1 101 GLN HB3 1 102 THR H 2.542 . 3.350 2.781 2.781 2.781 . 0 0 "[ ]" 1
1206 1 102 THR H 1 102 THR HA 2.237 . 2.863 2.875 2.875 2.875 0.012 1 0 "[ ]" 1
1207 1 102 THR H 1 102 THR HB 2.241 . 2.869 2.466 2.466 2.466 . 0 0 "[ ]" 1
1208 1 102 THR H 1 102 THR MG 2.777 . 3.741 3.744 3.744 3.744 0.003 1 0 "[ ]" 1
1209 1 102 THR H 1 103 LEU H 2.625 . 3.486 2.400 2.400 2.400 . 0 0 "[ ]" 1
1210 1 102 THR HA 1 102 THR MG 1.984 . 2.476 2.372 2.372 2.372 . 0 0 "[ ]" 1
1211 1 102 THR HA 1 103 LEU H 2.587 . 3.423 3.513 3.513 3.513 0.090 1 0 "[ ]" 1
1212 1 102 THR HB 1 102 THR MG 2.015 . 2.523 2.126 2.126 2.126 . 0 0 "[ ]" 1
1213 1 102 THR HB 1 103 LEU H 2.416 . 3.145 2.503 2.503 2.503 . 0 0 "[ ]" 1
1214 1 102 THR MG 1 103 LEU H 2.847 . 3.861 3.424 3.424 3.424 . 0 0 "[ ]" 1
1215 1 102 THR MG 1 108 VAL MG2 2.433 . 3.173 3.194 3.194 3.194 0.021 1 0 "[ ]" 1
1216 1 103 LEU H 1 103 LEU HA 2.448 . 3.197 2.727 2.727 2.727 . 0 0 "[ ]" 1
1217 1 103 LEU H 1 103 LEU HB2 2.342 . 3.028 2.017 2.017 2.017 . 0 0 "[ ]" 1
1218 1 103 LEU H 1 103 LEU QB 2.500 . 3.281 1.984 1.984 1.984 . 0 0 "[ ]" 1
1219 1 103 LEU H 1 103 LEU MD2 2.402 . 3.123 3.224 3.224 3.224 0.101 1 0 "[ ]" 1
1220 1 103 LEU H 1 104 LEU H 2.305 . 2.969 2.946 2.946 2.946 . 0 0 "[ ]" 1
1221 1 103 LEU H 1 105 GLY H 3.332 . 4.719 4.002 4.002 4.002 . 0 0 "[ ]" 1
1222 1 103 LEU H 1 115 ASP H 3.409 . 4.862 4.607 4.607 4.607 . 0 0 "[ ]" 1
1223 1 103 LEU HA 1 103 LEU QB 2.257 . 2.894 2.504 2.504 2.504 . 0 0 "[ ]" 1
1224 1 103 LEU HA 1 103 LEU MD1 2.366 . 3.066 2.493 2.493 2.493 . 0 0 "[ ]" 1
1225 1 103 LEU HA 1 103 LEU QD 2.325 . 3.000 1.936 1.936 1.936 . 0 0 "[ ]" 1
1226 1 103 LEU HA 1 103 LEU MD2 2.215 . 2.828 2.018 2.018 2.018 . 0 0 "[ ]" 1
1227 1 103 LEU HA 1 115 ASP HA 2.379 . 3.086 3.220 3.220 3.220 0.134 1 0 "[ ]" 1
1228 1 103 LEU HA 1 115 ASP HA 2.376 . 3.082 3.223 3.223 3.223 0.141 1 0 "[ ]" 1
1229 1 103 LEU HB2 1 103 LEU MD2 2.160 . 2.743 2.200 2.200 2.200 . 0 0 "[ ]" 1
1230 1 103 LEU HB2 1 104 LEU H 2.879 . 3.915 2.986 2.986 2.986 . 0 0 "[ ]" 1
1231 1 103 LEU QD 1 110 TRP H 3.400 . 4.845 2.248 2.248 2.248 . 0 0 "[ ]" 1
1232 1 103 LEU MD2 1 103 LEU HG 2.070 . 2.606 2.096 2.096 2.096 . 0 0 "[ ]" 1
1233 1 103 LEU MD2 1 104 LEU H 3.405 . 4.854 4.289 4.289 4.289 . 0 0 "[ ]" 1
1234 1 103 LEU MD2 1 110 TRP H 3.444 . 4.926 4.942 4.942 4.942 0.016 1 0 "[ ]" 1
1235 1 104 LEU H 1 104 LEU HA 2.585 . 3.420 2.864 2.864 2.864 . 0 0 "[ ]" 1
1236 1 104 LEU H 1 104 LEU HB2 2.899 . 3.950 3.269 3.269 3.269 . 0 0 "[ ]" 1
1237 1 104 LEU H 1 104 LEU HB3 2.391 . 3.106 2.043 2.043 2.043 . 0 0 "[ ]" 1
1238 1 104 LEU H 1 104 LEU MD1 2.718 . 3.641 3.039 3.039 3.039 . 0 0 "[ ]" 1
1239 1 104 LEU HB2 1 105 GLY H 3.080 . 4.266 4.259 4.259 4.259 . 0 0 "[ ]" 1
1240 1 104 LEU HB3 1 105 GLY H 2.854 . 3.872 3.312 3.312 3.312 . 0 0 "[ ]" 1
1241 1 104 LEU QD 1 105 GLY H 3.064 . 4.238 1.896 1.896 1.896 . 0 0 "[ ]" 1
1242 1 104 LEU MD1 1 105 GLY H 3.104 . 4.308 1.904 1.904 1.904 0.001 1 0 "[ ]" 1
1243 1 105 GLY H 1 105 GLY QA 2.411 . 3.138 2.202 2.202 2.202 . 0 0 "[ ]" 1
1244 1 105 GLY H 1 105 GLY QA 2.293 . 2.950 2.101 2.101 2.101 . 0 0 "[ ]" 1
1245 1 105 GLY HA3 1 106 SER H 2.961 . 4.057 2.737 2.737 2.737 . 0 0 "[ ]" 1
1246 1 106 SER H 1 106 SER HA 2.780 . 3.746 2.903 2.903 2.903 . 0 0 "[ ]" 1
1247 1 106 SER H 1 106 SER HB2 2.598 . 3.442 2.530 2.530 2.530 . 0 0 "[ ]" 1
1248 1 106 SER HA 1 106 SER QB 2.222 . 2.839 2.345 2.345 2.345 . 0 0 "[ ]" 1
1249 1 106 SER HA 1 106 SER HB3 2.224 . 2.842 2.443 2.443 2.443 . 0 0 "[ ]" 1
1250 1 108 VAL HA 1 108 VAL HB 2.147 . 2.723 2.937 2.937 2.937 0.214 1 0 "[ ]" 1
1251 1 108 VAL HA 1 108 VAL MG1 2.316 . 2.987 2.421 2.421 2.421 . 0 0 "[ ]" 1
1252 1 108 VAL HA 1 108 VAL MG2 2.140 . 2.713 2.303 2.303 2.303 . 0 0 "[ ]" 1
1253 1 108 VAL HA 1 109 GLU H 2.152 . 2.731 2.110 2.110 2.110 . 0 0 "[ ]" 1
1254 1 108 VAL MG1 1 109 GLU H 2.896 . 3.944 2.681 2.681 2.681 . 0 0 "[ ]" 1
1255 1 108 VAL MG2 1 109 GLU H 2.795 . 3.772 3.904 3.904 3.904 0.132 1 0 "[ ]" 1
1256 1 109 GLU H 1 109 GLU HA 2.564 . 3.386 2.847 2.847 2.847 . 0 0 "[ ]" 1
1257 1 109 GLU H 1 109 GLU HB3 2.485 . 3.257 2.895 2.895 2.895 . 0 0 "[ ]" 1
1258 1 109 GLU H 1 109 GLU HG2 2.970 . 4.073 4.238 4.238 4.238 0.165 1 0 "[ ]" 1
1259 1 109 GLU HA 1 109 GLU HB2 2.186 . 2.783 2.378 2.378 2.378 . 0 0 "[ ]" 1
1260 1 109 GLU HA 1 109 GLU HB3 2.433 . 3.173 3.014 3.014 3.014 . 0 0 "[ ]" 1
1261 1 109 GLU HA 1 110 TRP H 2.205 . 2.813 2.239 2.239 2.239 . 0 0 "[ ]" 1
1262 1 110 TRP HA 1 110 TRP HB3 2.008 . 2.512 2.397 2.397 2.397 . 0 0 "[ ]" 1
1263 1 110 TRP HA 1 111 LEU H 2.271 . 2.916 2.869 2.869 2.869 . 0 0 "[ ]" 1
1264 1 111 LEU HB3 1 111 LEU MD2 2.367 . 3.068 2.459 2.459 2.459 . 0 0 "[ ]" 1
1265 1 111 LEU MD2 1 113 PRO HD3 2.487 . 3.260 3.431 3.431 3.431 0.171 1 0 "[ ]" 1
1266 1 111 LEU MD2 1 114 SER HB2 2.472 . 3.236 3.166 3.166 3.166 . 0 0 "[ ]" 1
1267 1 113 PRO HA 1 113 PRO HB2 2.134 . 2.703 2.785 2.785 2.785 0.082 1 0 "[ ]" 1
1268 1 113 PRO HA 1 113 PRO HB3 2.193 . 2.794 2.216 2.216 2.216 . 0 0 "[ ]" 1
1269 1 113 PRO HA 1 114 SER H 2.612 . 3.465 2.046 2.046 2.046 . 0 0 "[ ]" 1
1270 1 113 PRO HB3 1 113 PRO HD3 2.123 . 2.686 2.746 2.746 2.746 0.060 1 0 "[ ]" 1
1271 1 114 SER HA 1 114 SER HB3 2.220 . 2.836 2.499 2.499 2.499 . 0 0 "[ ]" 1
1272 1 114 SER HA 1 115 ASP H 2.359 . 3.055 2.576 2.576 2.576 . 0 0 "[ ]" 1
1273 1 114 SER QB 1 115 ASP H 3.281 . 4.627 3.897 3.897 3.897 . 0 0 "[ ]" 1
1274 1 115 ASP H 1 115 ASP HB2 2.830 . 3.831 3.213 3.213 3.213 . 0 0 "[ ]" 1
1275 1 115 ASP H 1 115 ASP HB3 3.402 . 4.849 3.670 3.670 3.670 . 0 0 "[ ]" 1
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