NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442579 |
2kcz   |
16100 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kcz
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 1270
_Distance_constraint_stats_list.Viol_count 668
_Distance_constraint_stats_list.Viol_total 1084.380
_Distance_constraint_stats_list.Viol_max 0.425
_Distance_constraint_stats_list.Viol_rms 0.0171
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0812
_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 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 THR 1.220 0.180 10 0 "[ . 1 . 2]"
1 5 VAL 2.508 0.287 20 0 "[ . 1 . 2]"
1 6 VAL 0.157 0.058 13 0 "[ . 1 . 2]"
1 7 ARG 0.502 0.096 16 0 "[ . 1 . 2]"
1 8 ASP 0.502 0.096 16 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.716 0.179 4 0 "[ . 1 . 2]"
1 11 THR 1.387 0.205 19 0 "[ . 1 . 2]"
1 12 ILE 3.488 0.425 8 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.277 0.063 17 0 "[ . 1 . 2]"
1 15 PRO 0.077 0.026 2 0 "[ . 1 . 2]"
1 16 ALA 0.556 0.127 2 0 "[ . 1 . 2]"
1 17 GLU 0.534 0.171 10 0 "[ . 1 . 2]"
1 18 GLN 1.337 0.166 20 0 "[ . 1 . 2]"
1 19 LEU 0.556 0.127 2 0 "[ . 1 . 2]"
1 20 TYR 0.942 0.165 18 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 0.130 0.088 14 0 "[ . 1 . 2]"
1 23 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 0.508 0.194 2 0 "[ . 1 . 2]"
1 25 ASP 2.161 0.226 13 0 "[ . 1 . 2]"
1 26 LEU 0.352 0.088 14 0 "[ . 1 . 2]"
1 27 PRO 0.373 0.148 4 0 "[ . 1 . 2]"
1 28 GLY 0.373 0.148 4 0 "[ . 1 . 2]"
1 29 LEU 1.354 0.211 16 0 "[ . 1 . 2]"
1 31 LEU 0.328 0.240 17 0 "[ . 1 . 2]"
1 32 LEU 0.975 0.258 19 0 "[ . 1 . 2]"
1 33 MET 0.433 0.258 19 0 "[ . 1 . 2]"
1 37 ARG 0.131 0.131 12 0 "[ . 1 . 2]"
1 38 SER 0.131 0.131 12 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.449 0.166 4 0 "[ . 1 . 2]"
1 41 VAL 1.195 0.206 9 0 "[ . 1 . 2]"
1 42 LEU 1.086 0.206 9 0 "[ . 1 . 2]"
1 43 ASP 2.545 0.196 19 0 "[ . 1 . 2]"
1 44 ASP 2.633 0.189 1 0 "[ . 1 . 2]"
1 45 LYS 4.301 0.393 8 0 "[ . 1 . 2]"
1 46 ARG 3.039 0.393 8 0 "[ . 1 . 2]"
1 47 SER 1.407 0.232 17 0 "[ . 1 . 2]"
1 48 ARG 0.006 0.006 3 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLU 0.544 0.147 14 0 "[ . 1 . 2]"
1 53 ALA 0.544 0.147 14 0 "[ . 1 . 2]"
1 54 PRO 0.172 0.078 17 0 "[ . 1 . 2]"
1 55 ALA 0.946 0.147 5 0 "[ . 1 . 2]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 2.618 0.197 1 0 "[ . 1 . 2]"
1 58 GLY 1.253 0.134 13 0 "[ . 1 . 2]"
1 59 ALA 0.702 0.178 8 0 "[ . 1 . 2]"
1 60 VAL 0.702 0.178 8 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 TRP 3.612 0.314 15 0 "[ . 1 . 2]"
1 63 GLU 5.613 0.314 15 0 "[ . 1 . 2]"
1 64 ALA 1.778 0.365 17 0 "[ . 1 . 2]"
1 65 GLU 1.484 0.195 4 0 "[ . 1 . 2]"
1 66 LEU 2.504 0.315 11 0 "[ . 1 . 2]"
1 67 THR 1.197 0.186 8 0 "[ . 1 . 2]"
1 68 ALA 0.751 0.138 6 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.823 0.132 10 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.239 0.142 11 0 "[ . 1 . 2]"
1 74 ARG 1.624 0.231 12 0 "[ . 1 . 2]"
1 75 ILE 0.209 0.064 18 0 "[ . 1 . 2]"
1 76 ALA 0.257 0.088 16 0 "[ . 1 . 2]"
1 77 TRP 2.256 0.295 16 0 "[ . 1 . 2]"
1 78 ARG 0.828 0.295 16 0 "[ . 1 . 2]"
1 79 SER 4.020 0.315 11 0 "[ . 1 . 2]"
1 80 LEU 1.079 0.365 17 0 "[ . 1 . 2]"
1 81 PRO 0.058 0.058 15 0 "[ . 1 . 2]"
1 82 GLY 0.107 0.058 15 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 SER 0.176 0.061 10 0 "[ . 1 . 2]"
1 89 GLY 0.198 0.095 17 0 "[ . 1 . 2]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 1.340 0.246 16 0 "[ . 1 . 2]"
1 92 LEU 0.661 0.231 12 0 "[ . 1 . 2]"
1 93 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ARG 0.009 0.009 18 0 "[ . 1 . 2]"
1 95 PRO 0.039 0.039 14 0 "[ . 1 . 2]"
1 96 ALA 0.464 0.063 8 0 "[ . 1 . 2]"
1 97 PRO 0.377 0.094 3 0 "[ . 1 . 2]"
1 98 GLY 1.836 0.299 4 0 "[ . 1 . 2]"
1 99 ALA 1.762 0.299 4 0 "[ . 1 . 2]"
1 100 ARG 0.147 0.025 1 0 "[ . 1 . 2]"
1 101 GLY 0.618 0.063 8 0 "[ . 1 . 2]"
1 102 THR 0.094 0.047 7 0 "[ . 1 . 2]"
1 103 GLU 0.013 0.009 18 0 "[ . 1 . 2]"
1 104 VAL 2.076 0.246 16 0 "[ . 1 . 2]"
1 105 VAL 1.560 0.182 9 0 "[ . 1 . 2]"
1 106 VAL 1.360 0.101 12 0 "[ . 1 . 2]"
1 107 ARG 0.588 0.101 12 0 "[ . 1 . 2]"
1 108 LEU 0.157 0.058 13 0 "[ . 1 . 2]"
1 109 THR 1.464 0.287 20 0 "[ . 1 . 2]"
1 110 TYR 1.170 0.259 12 0 "[ . 1 . 2]"
1 111 ARG 1.170 0.259 12 0 "[ . 1 . 2]"
1 115 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 VAL 0.420 0.061 4 0 "[ . 1 . 2]"
1 121 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 LEU 0.516 0.179 4 0 "[ . 1 . 2]"
1 138 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 PHE 0.151 0.097 17 0 "[ . 1 . 2]"
1 141 LYS 0.045 0.035 2 0 "[ . 1 . 2]"
1 142 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 GLU 0.848 0.189 8 0 "[ . 1 . 2]"
1 144 GLN 0.788 0.186 10 0 "[ . 1 . 2]"
1 145 GLU 1.966 0.425 8 0 "[ . 1 . 2]"
1 146 LEU 0.455 0.189 8 0 "[ . 1 . 2]"
1 147 GLY 0.242 0.137 2 0 "[ . 1 . 2]"
1 148 LEU 0.547 0.112 20 0 "[ . 1 . 2]"
1 149 GLU 0.271 0.112 20 0 "[ . 1 . 2]"
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 3 GLU HB2 1 4 THR H 5.240 . 5.240 3.754 1.886 4.629 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU HB3 1 4 THR H 5.240 . 5.240 3.677 2.137 4.642 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLU HG2 1 4 THR H 6.000 . 6.000 4.511 3.134 5.994 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLU HG3 1 4 THR H 6.000 . 6.000 4.544 3.264 5.569 . 0 0 "[ . 1 . 2]" 1
5 1 4 THR H 1 5 VAL HA 6.000 . 6.000 4.900 4.465 5.380 . 0 0 "[ . 1 . 2]" 1
6 1 4 THR H 1 5 VAL HB 6.000 . 6.000 5.892 5.097 6.180 0.180 10 0 "[ . 1 . 2]" 1
7 1 4 THR HA 1 5 VAL H 3.120 . 3.120 2.136 2.087 2.193 . 0 0 "[ . 1 . 2]" 1
8 1 4 THR HA 1 5 VAL QG 8.570 . 8.570 3.635 3.329 3.811 . 0 0 "[ . 1 . 2]" 1
9 1 4 THR MG 1 5 VAL H 4.250 . 4.250 2.804 2.506 2.917 . 0 0 "[ . 1 . 2]" 1
10 1 5 VAL H 1 5 VAL HB 3.370 . 3.370 2.779 2.371 3.283 . 0 0 "[ . 1 . 2]" 1
11 1 5 VAL HB 1 109 THR HB 6.000 . 6.000 5.066 1.864 6.287 0.287 20 0 "[ . 1 . 2]" 1
12 1 5 VAL QG 1 6 VAL H 6.380 . 6.380 2.862 2.366 3.192 . 0 0 "[ . 1 . 2]" 1
13 1 5 VAL QG 1 88 SER QB 9.450 . 9.450 4.940 2.684 6.076 . 0 0 "[ . 1 . 2]" 1
14 1 5 VAL QG 1 109 THR HB 7.990 . 7.990 3.189 1.559 5.149 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL MG1 1 6 VAL H 7.020 . 7.020 3.417 2.416 4.267 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL MG1 1 109 THR HA 7.020 . 7.020 3.489 1.563 5.425 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL MG1 1 110 TYR QD 9.150 . 9.150 5.553 2.252 6.681 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL MG2 1 6 VAL H 7.020 . 7.020 3.593 2.388 4.253 . 0 0 "[ . 1 . 2]" 1
19 1 5 VAL MG2 1 109 THR HA 7.020 . 7.020 2.877 1.719 5.839 . 0 0 "[ . 1 . 2]" 1
20 1 5 VAL MG2 1 110 TYR QD 9.150 . 9.150 5.534 4.250 6.911 . 0 0 "[ . 1 . 2]" 1
21 1 6 VAL H 1 108 LEU H 4.420 . 4.420 3.766 3.044 4.478 0.058 13 0 "[ . 1 . 2]" 1
22 1 6 VAL HA 1 7 ARG H 3.050 . 3.050 2.155 2.078 2.275 . 0 0 "[ . 1 . 2]" 1
23 1 6 VAL HB 1 7 ARG H 5.280 . 5.280 3.837 2.730 4.335 . 0 0 "[ . 1 . 2]" 1
24 1 6 VAL HB 1 108 LEU H 6.000 . 6.000 4.696 3.561 6.019 0.019 13 0 "[ . 1 . 2]" 1
25 1 6 VAL QG 1 7 ARG H 5.050 . 5.050 2.916 2.324 3.506 . 0 0 "[ . 1 . 2]" 1
26 1 6 VAL QG 1 7 ARG HA 7.240 . 7.240 3.516 3.090 3.945 . 0 0 "[ . 1 . 2]" 1
27 1 6 VAL QG 1 7 ARG QB 8.760 . 8.760 4.351 3.911 4.723 . 0 0 "[ . 1 . 2]" 1
28 1 6 VAL QG 1 110 TYR QD 8.430 . 8.430 3.135 2.168 4.192 . 0 0 "[ . 1 . 2]" 1
29 1 6 VAL MG1 1 7 ARG H 5.440 . 5.440 3.340 2.549 4.025 . 0 0 "[ . 1 . 2]" 1
30 1 6 VAL MG1 1 110 TYR QD 9.150 . 9.150 4.178 2.590 5.834 . 0 0 "[ . 1 . 2]" 1
31 1 6 VAL MG2 1 7 ARG H 5.440 . 5.440 3.701 2.344 4.175 . 0 0 "[ . 1 . 2]" 1
32 1 6 VAL MG2 1 110 TYR QD 9.150 . 9.150 3.698 2.172 6.482 . 0 0 "[ . 1 . 2]" 1
33 1 7 ARG H 1 8 ASP H 4.960 . 4.960 4.094 3.923 4.394 . 0 0 "[ . 1 . 2]" 1
34 1 7 ARG HA 1 8 ASP H 3.260 . 3.260 2.138 2.074 2.188 . 0 0 "[ . 1 . 2]" 1
35 1 7 ARG HA 1 107 ARG HA 3.550 . 3.550 2.625 2.172 3.238 . 0 0 "[ . 1 . 2]" 1
36 1 7 ARG HA 1 108 LEU H 4.920 . 4.920 3.723 2.899 4.555 . 0 0 "[ . 1 . 2]" 1
37 1 7 ARG QB 1 8 ASP H 4.340 . 4.340 3.528 3.095 3.941 . 0 0 "[ . 1 . 2]" 1
38 1 7 ARG HB2 1 8 ASP H 4.520 . 4.520 3.860 3.186 4.505 . 0 0 "[ . 1 . 2]" 1
39 1 7 ARG HB3 1 8 ASP H 4.520 . 4.520 4.218 3.712 4.437 . 0 0 "[ . 1 . 2]" 1
40 1 7 ARG HD2 1 8 ASP H 6.000 . 6.000 5.214 2.657 6.095 0.095 4 0 "[ . 1 . 2]" 1
41 1 7 ARG HD3 1 8 ASP H 6.000 . 6.000 5.551 3.411 6.096 0.096 16 0 "[ . 1 . 2]" 1
42 1 7 ARG HG2 1 8 ASP H 6.000 . 6.000 4.920 3.320 5.849 . 0 0 "[ . 1 . 2]" 1
43 1 7 ARG HG3 1 8 ASP H 6.000 . 6.000 4.555 3.638 5.182 . 0 0 "[ . 1 . 2]" 1
44 1 8 ASP H 1 9 ALA H 5.350 . 5.350 4.366 4.326 4.437 . 0 0 "[ . 1 . 2]" 1
45 1 8 ASP H 1 106 VAL HB 6.000 . 6.000 4.652 3.124 5.997 . 0 0 "[ . 1 . 2]" 1
46 1 8 ASP H 1 107 ARG HA 5.570 . 5.570 4.243 3.684 4.721 . 0 0 "[ . 1 . 2]" 1
47 1 8 ASP H 1 137 LEU MD2 4.070 . 4.070 3.466 3.259 3.598 . 0 0 "[ . 1 . 2]" 1
48 1 8 ASP QB 1 9 ALA H 4.280 . 4.280 2.980 2.463 3.345 . 0 0 "[ . 1 . 2]" 1
49 1 8 ASP QB 1 137 LEU QB 6.680 . 6.680 3.381 2.215 3.738 . 0 0 "[ . 1 . 2]" 1
50 1 8 ASP QB 1 137 LEU MD2 4.750 . 4.750 1.760 1.537 1.893 . 0 0 "[ . 1 . 2]" 1
51 1 8 ASP HB2 1 9 ALA H 4.780 . 4.780 3.883 3.753 4.214 . 0 0 "[ . 1 . 2]" 1
52 1 8 ASP HB2 1 137 LEU HB2 7.760 . 7.760 4.902 2.857 5.565 . 0 0 "[ . 1 . 2]" 1
53 1 8 ASP HB2 1 137 LEU HB3 7.760 . 7.760 5.110 2.952 5.833 . 0 0 "[ . 1 . 2]" 1
54 1 8 ASP HB2 1 137 LEU MD2 4.970 . 4.970 2.988 1.999 3.279 . 0 0 "[ . 1 . 2]" 1
55 1 8 ASP HB3 1 9 ALA H 4.780 . 4.780 3.107 2.496 3.545 . 0 0 "[ . 1 . 2]" 1
56 1 8 ASP HB3 1 137 LEU HB2 7.760 . 7.760 3.989 2.959 4.596 . 0 0 "[ . 1 . 2]" 1
57 1 8 ASP HB3 1 137 LEU HB3 7.760 . 7.760 3.965 2.465 4.305 . 0 0 "[ . 1 . 2]" 1
58 1 8 ASP HB3 1 137 LEU MD2 4.970 . 4.970 1.790 1.540 2.233 . 0 0 "[ . 1 . 2]" 1
59 1 9 ALA H 1 10 VAL H 5.890 . 5.890 4.201 4.069 4.404 . 0 0 "[ . 1 . 2]" 1
60 1 9 ALA H 1 137 LEU MD1 6.980 . 6.980 5.697 4.615 5.881 . 0 0 "[ . 1 . 2]" 1
61 1 9 ALA H 1 137 LEU MD2 5.330 . 5.330 3.469 3.120 4.362 . 0 0 "[ . 1 . 2]" 1
62 1 9 ALA HA 1 10 VAL H 3.300 . 3.300 2.143 2.109 2.266 . 0 0 "[ . 1 . 2]" 1
63 1 9 ALA HA 1 10 VAL MG1 7.020 . 7.020 3.872 3.636 3.995 . 0 0 "[ . 1 . 2]" 1
64 1 9 ALA HA 1 10 VAL MG2 7.020 . 7.020 3.570 3.147 3.844 . 0 0 "[ . 1 . 2]" 1
65 1 9 ALA HA 1 105 VAL HA 3.660 . 3.660 2.508 2.142 3.214 . 0 0 "[ . 1 . 2]" 1
66 1 9 ALA HA 1 105 VAL MG1 7.020 . 7.020 3.740 3.100 5.078 . 0 0 "[ . 1 . 2]" 1
67 1 9 ALA HA 1 105 VAL QG 6.590 . 6.590 3.309 2.968 3.952 . 0 0 "[ . 1 . 2]" 1
68 1 9 ALA HA 1 105 VAL MG2 7.020 . 7.020 4.139 3.271 5.277 . 0 0 "[ . 1 . 2]" 1
69 1 9 ALA HA 1 106 VAL H 3.910 . 3.910 3.360 2.750 3.786 . 0 0 "[ . 1 . 2]" 1
70 1 9 ALA HA 1 137 LEU MD2 6.120 . 6.120 3.513 2.818 4.760 . 0 0 "[ . 1 . 2]" 1
71 1 9 ALA MB 1 103 GLU HA 7.020 . 7.020 4.305 3.948 4.889 . 0 0 "[ . 1 . 2]" 1
72 1 9 ALA MB 1 103 GLU QB 7.900 . 7.900 3.625 2.379 4.234 . 0 0 "[ . 1 . 2]" 1
73 1 9 ALA MB 1 103 GLU HG2 6.190 . 6.190 2.413 1.715 4.321 . 0 0 "[ . 1 . 2]" 1
74 1 9 ALA MB 1 103 GLU QG 6.040 . 6.040 2.066 1.696 2.888 . 0 0 "[ . 1 . 2]" 1
75 1 9 ALA MB 1 103 GLU HG3 6.190 . 6.190 2.501 2.080 2.940 . 0 0 "[ . 1 . 2]" 1
76 1 9 ALA MB 1 104 VAL H 5.830 . 5.830 4.118 3.291 4.606 . 0 0 "[ . 1 . 2]" 1
77 1 9 ALA MB 1 105 VAL HA 4.750 . 4.750 2.488 1.981 2.998 . 0 0 "[ . 1 . 2]" 1
78 1 9 ALA MB 1 105 VAL HB 6.080 . 6.080 3.705 2.173 4.789 . 0 0 "[ . 1 . 2]" 1
79 1 9 ALA MB 1 105 VAL MG1 6.990 . 6.990 2.176 1.496 3.796 . 0 0 "[ . 1 . 2]" 1
80 1 9 ALA MB 1 105 VAL QG 6.480 . 6.480 1.786 1.495 2.471 . 0 0 "[ . 1 . 2]" 1
81 1 9 ALA MB 1 105 VAL MG2 6.990 . 6.990 2.664 1.639 4.052 . 0 0 "[ . 1 . 2]" 1
82 1 9 ALA MB 1 106 VAL H 5.040 . 5.040 3.902 3.271 4.130 . 0 0 "[ . 1 . 2]" 1
83 1 10 VAL H 1 11 THR H 4.880 . 4.880 4.444 4.360 4.506 . 0 0 "[ . 1 . 2]" 1
84 1 10 VAL H 1 103 GLU HA 5.600 . 5.600 4.521 4.191 4.996 . 0 0 "[ . 1 . 2]" 1
85 1 10 VAL H 1 103 GLU QB 6.880 . 6.880 5.232 3.468 6.144 . 0 0 "[ . 1 . 2]" 1
86 1 10 VAL H 1 104 VAL H 4.270 . 4.270 3.385 2.994 3.984 . 0 0 "[ . 1 . 2]" 1
87 1 10 VAL H 1 104 VAL HB 5.390 . 5.390 5.272 5.045 5.483 0.093 15 0 "[ . 1 . 2]" 1
88 1 10 VAL H 1 104 VAL MG1 6.550 . 6.550 3.146 2.488 4.870 . 0 0 "[ . 1 . 2]" 1
89 1 10 VAL H 1 104 VAL MG2 7.020 . 7.020 3.862 2.528 4.549 . 0 0 "[ . 1 . 2]" 1
90 1 10 VAL H 1 105 VAL HA 4.670 . 4.670 4.075 3.710 4.553 . 0 0 "[ . 1 . 2]" 1
91 1 10 VAL H 1 105 VAL QG 7.450 . 7.450 4.485 4.112 5.019 . 0 0 "[ . 1 . 2]" 1
92 1 10 VAL H 1 137 LEU MD2 6.230 . 6.230 3.753 3.021 5.065 . 0 0 "[ . 1 . 2]" 1
93 1 10 VAL HA 1 11 THR H 3.340 . 3.340 2.213 2.130 2.287 . 0 0 "[ . 1 . 2]" 1
94 1 10 VAL HB 1 11 THR H 3.230 . 3.230 2.964 2.671 3.224 . 0 0 "[ . 1 . 2]" 1
95 1 10 VAL HB 1 12 ILE MD 6.550 . 6.550 2.794 2.151 4.848 . 0 0 "[ . 1 . 2]" 1
96 1 10 VAL HB 1 137 LEU HG 5.030 . 5.030 4.497 3.904 5.209 0.179 4 0 "[ . 1 . 2]" 1
97 1 10 VAL MG1 1 11 THR H 7.020 . 7.020 3.726 3.488 3.938 . 0 0 "[ . 1 . 2]" 1
98 1 10 VAL MG1 1 104 VAL MG2 8.040 . 8.040 5.026 3.855 5.485 . 0 0 "[ . 1 . 2]" 1
99 1 10 VAL MG1 1 137 LEU H 6.010 . 6.010 4.945 4.550 5.143 . 0 0 "[ . 1 . 2]" 1
100 1 10 VAL MG1 1 137 LEU QB 7.110 . 7.110 2.839 1.948 3.259 . 0 0 "[ . 1 . 2]" 1
101 1 10 VAL MG1 1 137 LEU HG 6.800 . 6.800 2.010 1.705 3.018 . 0 0 "[ . 1 . 2]" 1
102 1 10 VAL MG1 1 140 PHE QD 9.150 . 9.150 3.601 2.648 6.032 . 0 0 "[ . 1 . 2]" 1
103 1 10 VAL MG1 1 141 LYS H 6.840 . 6.840 3.353 2.344 4.605 . 0 0 "[ . 1 . 2]" 1
104 1 10 VAL MG1 1 141 LYS HB2 7.020 . 7.020 2.341 1.881 3.878 . 0 0 "[ . 1 . 2]" 1
105 1 10 VAL MG1 1 141 LYS QB 6.380 . 6.380 2.237 1.869 3.199 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL MG1 1 141 LYS HB3 7.020 . 7.020 3.331 2.511 4.201 . 0 0 "[ . 1 . 2]" 1
107 1 10 VAL MG1 1 142 ARG H 6.480 . 6.480 5.122 4.598 5.274 . 0 0 "[ . 1 . 2]" 1
108 1 10 VAL MG2 1 11 THR H 7.020 . 7.020 3.913 3.731 4.049 . 0 0 "[ . 1 . 2]" 1
109 1 10 VAL MG2 1 104 VAL H 6.230 . 6.230 3.340 3.091 3.819 . 0 0 "[ . 1 . 2]" 1
110 1 10 VAL MG2 1 104 VAL HB 5.180 . 5.180 4.294 4.226 4.353 . 0 0 "[ . 1 . 2]" 1
111 1 10 VAL MG2 1 104 VAL MG2 8.040 . 8.040 3.182 1.785 3.794 . 0 0 "[ . 1 . 2]" 1
112 1 10 VAL MG2 1 105 VAL HA 7.020 . 7.020 5.035 4.718 5.519 . 0 0 "[ . 1 . 2]" 1
113 1 10 VAL MG2 1 137 LEU HA 6.590 . 6.590 4.721 3.601 5.370 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL MG2 1 137 LEU QB 7.900 . 7.900 4.359 3.374 4.879 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL MG2 1 137 LEU MD2 8.040 . 8.040 3.197 2.642 4.201 . 0 0 "[ . 1 . 2]" 1
116 1 10 VAL MG2 1 137 LEU HG 5.110 . 5.110 3.022 2.121 3.489 . 0 0 "[ . 1 . 2]" 1
117 1 10 VAL MG2 1 138 MET HA 7.020 . 7.020 4.993 3.677 5.458 . 0 0 "[ . 1 . 2]" 1
118 1 10 VAL MG2 1 140 PHE QB 7.900 . 7.900 4.163 3.104 5.423 . 0 0 "[ . 1 . 2]" 1
119 1 10 VAL MG2 1 140 PHE QD 9.150 . 9.150 2.747 1.685 4.674 . 0 0 "[ . 1 . 2]" 1
120 1 10 VAL MG2 1 141 LYS H 6.800 . 6.800 3.840 3.215 4.280 . 0 0 "[ . 1 . 2]" 1
121 1 10 VAL MG2 1 141 LYS HA 7.020 . 7.020 3.221 2.773 4.681 . 0 0 "[ . 1 . 2]" 1
122 1 10 VAL MG2 1 141 LYS QB 5.310 . 5.310 2.759 2.063 3.251 . 0 0 "[ . 1 . 2]" 1
123 1 10 VAL MG2 1 142 ARG H 7.020 . 7.020 5.628 5.241 5.797 . 0 0 "[ . 1 . 2]" 1
124 1 11 THR H 1 11 THR HB 3.160 . 3.160 2.802 2.526 3.322 0.162 17 0 "[ . 1 . 2]" 1
125 1 11 THR H 1 11 THR MG 4.570 . 4.570 3.394 1.978 3.845 . 0 0 "[ . 1 . 2]" 1
126 1 11 THR H 1 12 ILE H 4.240 . 4.240 4.284 4.101 4.445 0.205 19 0 "[ . 1 . 2]" 1
127 1 11 THR H 1 141 LYS QB 6.410 . 6.410 4.452 3.271 5.146 . 0 0 "[ . 1 . 2]" 1
128 1 11 THR HA 1 12 ILE H 3.340 . 3.340 2.142 2.067 2.210 . 0 0 "[ . 1 . 2]" 1
129 1 11 THR HA 1 96 ALA MB 7.020 . 7.020 3.834 3.117 4.726 . 0 0 "[ . 1 . 2]" 1
130 1 11 THR HA 1 103 GLU H 5.170 . 5.170 4.395 3.815 4.741 . 0 0 "[ . 1 . 2]" 1
131 1 11 THR HA 1 104 VAL H 4.340 . 4.340 3.432 2.874 3.929 . 0 0 "[ . 1 . 2]" 1
132 1 11 THR HA 1 104 VAL MG1 7.020 . 7.020 4.108 3.364 4.795 . 0 0 "[ . 1 . 2]" 1
133 1 11 THR HB 1 12 ILE H 4.600 . 4.600 4.202 3.848 4.387 . 0 0 "[ . 1 . 2]" 1
134 1 11 THR HB 1 96 ALA MB 7.020 . 7.020 3.796 2.310 4.552 . 0 0 "[ . 1 . 2]" 1
135 1 11 THR HB 1 103 GLU HA 6.000 . 6.000 4.426 2.163 5.417 . 0 0 "[ . 1 . 2]" 1
136 1 11 THR HB 1 103 GLU QB 6.880 . 6.880 4.378 1.683 5.450 . 0 0 "[ . 1 . 2]" 1
137 1 11 THR MG 1 12 ILE H 5.040 . 5.040 3.323 2.609 4.241 . 0 0 "[ . 1 . 2]" 1
138 1 11 THR MG 1 100 ARG QB 7.900 . 7.900 2.648 1.756 4.079 . 0 0 "[ . 1 . 2]" 1
139 1 11 THR MG 1 101 GLY H 6.840 . 6.840 4.100 3.324 5.530 . 0 0 "[ . 1 . 2]" 1
140 1 11 THR MG 1 101 GLY QA 7.610 . 7.610 3.595 2.404 4.897 . 0 0 "[ . 1 . 2]" 1
141 1 11 THR MG 1 103 GLU H 5.830 . 5.830 4.137 3.162 4.950 . 0 0 "[ . 1 . 2]" 1
142 1 11 THR MG 1 103 GLU HB2 7.020 . 7.020 3.229 2.124 4.046 . 0 0 "[ . 1 . 2]" 1
143 1 11 THR MG 1 103 GLU QB 6.540 . 6.540 3.029 2.108 3.819 . 0 0 "[ . 1 . 2]" 1
144 1 11 THR MG 1 103 GLU HB3 7.020 . 7.020 4.292 2.500 5.337 . 0 0 "[ . 1 . 2]" 1
145 1 11 THR MG 1 103 GLU QG 7.900 . 7.900 3.992 2.306 4.912 . 0 0 "[ . 1 . 2]" 1
146 1 11 THR MG 1 104 VAL H 6.410 . 6.410 4.980 3.963 5.356 . 0 0 "[ . 1 . 2]" 1
147 1 12 ILE H 1 12 ILE HB 3.440 . 3.440 2.743 2.586 3.701 0.261 10 0 "[ . 1 . 2]" 1
148 1 12 ILE H 1 12 ILE MD 5.260 . 5.260 2.635 1.618 4.023 . 0 0 "[ . 1 . 2]" 1
149 1 12 ILE H 1 12 ILE HG12 5.500 . 5.500 3.699 2.253 4.522 . 0 0 "[ . 1 . 2]" 1
150 1 12 ILE H 1 12 ILE HG13 5.500 . 5.500 3.584 2.670 4.030 . 0 0 "[ . 1 . 2]" 1
151 1 12 ILE H 1 19 LEU MD1 7.020 . 7.020 3.721 3.087 4.445 . 0 0 "[ . 1 . 2]" 1
152 1 12 ILE H 1 96 ALA MB 7.020 . 7.020 4.645 3.709 5.456 . 0 0 "[ . 1 . 2]" 1
153 1 12 ILE H 1 102 THR H 3.730 . 3.730 3.341 3.009 3.733 0.003 10 0 "[ . 1 . 2]" 1
154 1 12 ILE H 1 102 THR MG 7.020 . 7.020 4.856 4.492 5.367 . 0 0 "[ . 1 . 2]" 1
155 1 12 ILE HA 1 13 GLY H 3.050 . 3.050 2.260 2.173 2.317 . 0 0 "[ . 1 . 2]" 1
156 1 12 ILE HA 1 14 LYS H 4.850 . 4.850 4.303 3.827 4.642 . 0 0 "[ . 1 . 2]" 1
157 1 12 ILE HA 1 144 GLN QB 6.880 . 6.880 5.018 4.029 6.091 . 0 0 "[ . 1 . 2]" 1
158 1 12 ILE HB 1 13 GLY H 5.030 . 5.030 3.786 2.645 4.099 . 0 0 "[ . 1 . 2]" 1
159 1 12 ILE HB 1 19 LEU MD1 7.020 . 7.020 3.090 1.985 4.304 . 0 0 "[ . 1 . 2]" 1
160 1 12 ILE HB 1 104 VAL MG1 7.020 . 7.020 4.095 3.306 5.401 . 0 0 "[ . 1 . 2]" 1
161 1 12 ILE HB 1 145 GLU HB2 6.000 . 6.000 5.800 4.655 6.425 0.425 8 0 "[ . 1 . 2]" 1
162 1 12 ILE HB 1 145 GLU HB3 6.000 . 6.000 4.832 4.317 6.240 0.240 16 0 "[ . 1 . 2]" 1
163 1 12 ILE MD 1 13 GLY H 5.870 . 5.870 4.637 3.719 4.926 . 0 0 "[ . 1 . 2]" 1
164 1 12 ILE MD 1 104 VAL HB 7.020 . 7.020 4.583 3.270 5.883 . 0 0 "[ . 1 . 2]" 1
165 1 12 ILE MD 1 104 VAL MG1 8.040 . 8.040 2.621 1.675 3.885 . 0 0 "[ . 1 . 2]" 1
166 1 12 ILE MD 1 140 PHE QD 7.280 . 7.280 4.082 3.521 5.075 . 0 0 "[ . 1 . 2]" 1
167 1 12 ILE MD 1 140 PHE QE 7.420 . 7.420 3.844 3.049 4.942 . 0 0 "[ . 1 . 2]" 1
168 1 12 ILE MD 1 141 LYS H 6.300 . 6.300 4.576 4.015 5.096 . 0 0 "[ . 1 . 2]" 1
169 1 12 ILE MD 1 141 LYS HA 4.500 . 4.500 2.499 1.723 3.401 . 0 0 "[ . 1 . 2]" 1
170 1 12 ILE MD 1 141 LYS QB 7.900 . 7.900 3.140 2.531 4.048 . 0 0 "[ . 1 . 2]" 1
171 1 12 ILE MD 1 141 LYS QG 7.900 . 7.900 2.398 1.527 4.707 . 0 0 "[ . 1 . 2]" 1
172 1 12 ILE MD 1 144 GLN QE 7.880 . 7.880 3.623 2.328 4.650 . 0 0 "[ . 1 . 2]" 1
173 1 12 ILE QG 1 140 PHE QE 9.010 . 9.010 4.829 3.889 5.859 . 0 0 "[ . 1 . 2]" 1
174 1 12 ILE HG12 1 144 GLN HG2 6.000 . 6.000 4.064 2.399 6.186 0.186 10 0 "[ . 1 . 2]" 1
175 1 12 ILE HG12 1 144 GLN HG3 6.000 . 6.000 4.007 1.869 6.139 0.139 4 0 "[ . 1 . 2]" 1
176 1 12 ILE HG13 1 144 GLN HG2 6.000 . 6.000 4.557 2.988 6.112 0.112 6 0 "[ . 1 . 2]" 1
177 1 12 ILE HG13 1 144 GLN HG3 6.000 . 6.000 4.477 2.998 6.021 0.021 2 0 "[ . 1 . 2]" 1
178 1 12 ILE MG 1 13 GLY H 4.640 . 4.640 2.277 1.988 3.294 . 0 0 "[ . 1 . 2]" 1
179 1 12 ILE MG 1 13 GLY HA2 7.020 . 7.020 4.051 3.846 5.415 . 0 0 "[ . 1 . 2]" 1
180 1 12 ILE MG 1 13 GLY QA 6.410 . 6.410 3.483 3.318 4.751 . 0 0 "[ . 1 . 2]" 1
181 1 12 ILE MG 1 13 GLY HA3 7.020 . 7.020 3.802 3.574 5.258 . 0 0 "[ . 1 . 2]" 1
182 1 12 ILE MG 1 14 LYS H 4.500 . 4.500 2.851 2.004 3.929 . 0 0 "[ . 1 . 2]" 1
183 1 12 ILE MG 1 14 LYS HB2 6.370 . 6.370 3.039 1.911 4.039 . 0 0 "[ . 1 . 2]" 1
184 1 12 ILE MG 1 14 LYS QB 5.790 . 5.790 2.964 1.901 3.925 . 0 0 "[ . 1 . 2]" 1
185 1 12 ILE MG 1 14 LYS HB3 6.370 . 6.370 4.209 3.408 5.341 . 0 0 "[ . 1 . 2]" 1
186 1 12 ILE MG 1 14 LYS QE 7.650 . 7.650 3.641 2.455 5.243 . 0 0 "[ . 1 . 2]" 1
187 1 12 ILE MG 1 140 PHE QE 9.150 . 9.150 5.888 4.583 6.863 . 0 0 "[ . 1 . 2]" 1
188 1 12 ILE MG 1 141 LYS HA 5.940 . 5.940 4.184 2.567 4.731 . 0 0 "[ . 1 . 2]" 1
189 1 12 ILE MG 1 141 LYS QG 5.520 . 5.520 3.749 2.057 4.132 . 0 0 "[ . 1 . 2]" 1
190 1 12 ILE MG 1 144 GLN H 7.020 . 7.020 4.493 3.475 5.088 . 0 0 "[ . 1 . 2]" 1
191 1 12 ILE MG 1 144 GLN HA 6.330 . 6.330 4.202 3.526 4.922 . 0 0 "[ . 1 . 2]" 1
192 1 12 ILE MG 1 144 GLN QB 6.100 . 6.100 2.498 1.467 3.257 . 0 0 "[ . 1 . 2]" 1
193 1 12 ILE MG 1 145 GLU H 5.250 . 5.250 3.024 2.513 3.698 . 0 0 "[ . 1 . 2]" 1
194 1 12 ILE MG 1 145 GLU HA 5.540 . 5.540 2.479 1.694 3.653 . 0 0 "[ . 1 . 2]" 1
195 1 12 ILE MG 1 145 GLU HG2 5.690 . 5.690 3.182 1.048 3.987 . 0 0 "[ . 1 . 2]" 1
196 1 12 ILE MG 1 145 GLU QG 5.390 . 5.390 2.919 1.047 3.735 . 0 0 "[ . 1 . 2]" 1
197 1 12 ILE MG 1 145 GLU HG3 5.690 . 5.690 3.743 1.447 4.636 . 0 0 "[ . 1 . 2]" 1
198 1 13 GLY H 1 14 LYS H 5.060 . 5.060 3.392 2.815 3.678 . 0 0 "[ . 1 . 2]" 1
199 1 13 GLY H 1 145 GLU QG 6.160 . 6.160 4.097 2.075 5.642 . 0 0 "[ . 1 . 2]" 1
200 1 13 GLY QA 1 101 GLY H 5.940 . 5.940 4.831 4.218 5.138 . 0 0 "[ . 1 . 2]" 1
201 1 13 GLY QA 1 101 GLY QA 4.510 . 4.510 2.346 1.738 2.660 . 0 0 "[ . 1 . 2]" 1
202 1 13 GLY QA 1 102 THR H 5.160 . 5.160 3.437 3.066 4.016 . 0 0 "[ . 1 . 2]" 1
203 1 13 GLY HA2 1 101 GLY HA2 5.670 . 5.670 3.187 2.901 3.639 . 0 0 "[ . 1 . 2]" 1
204 1 13 GLY HA2 1 101 GLY HA3 5.670 . 5.670 2.480 1.754 2.924 . 0 0 "[ . 1 . 2]" 1
205 1 13 GLY HA2 1 102 THR H 6.000 . 6.000 3.492 3.102 4.100 . 0 0 "[ . 1 . 2]" 1
206 1 13 GLY HA3 1 101 GLY HA2 5.670 . 5.670 4.769 4.482 5.216 . 0 0 "[ . 1 . 2]" 1
207 1 13 GLY HA3 1 101 GLY HA3 5.670 . 5.670 4.100 3.482 4.549 . 0 0 "[ . 1 . 2]" 1
208 1 13 GLY HA3 1 102 THR H 6.000 . 6.000 5.130 4.791 5.739 . 0 0 "[ . 1 . 2]" 1
209 1 14 LYS H 1 14 LYS HD2 6.000 . 6.000 5.121 4.027 5.706 . 0 0 "[ . 1 . 2]" 1
210 1 14 LYS H 1 14 LYS QD 5.480 . 5.480 4.502 3.848 4.980 . 0 0 "[ . 1 . 2]" 1
211 1 14 LYS H 1 14 LYS HD3 6.000 . 6.000 5.128 4.021 5.622 . 0 0 "[ . 1 . 2]" 1
212 1 14 LYS H 1 19 LEU MD1 4.970 . 4.970 3.551 2.939 3.894 . 0 0 "[ . 1 . 2]" 1
213 1 14 LYS H 1 19 LEU MD2 7.020 . 7.020 3.342 2.839 4.075 . 0 0 "[ . 1 . 2]" 1
214 1 14 LYS H 1 101 GLY HA2 5.030 . 5.030 4.562 3.501 5.065 0.035 10 0 "[ . 1 . 2]" 1
215 1 14 LYS H 1 101 GLY QA 4.410 . 4.410 3.658 2.792 4.063 . 0 0 "[ . 1 . 2]" 1
216 1 14 LYS H 1 101 GLY HA3 5.030 . 5.030 3.892 2.852 4.448 . 0 0 "[ . 1 . 2]" 1
217 1 14 LYS H 1 102 THR H 4.090 . 4.090 3.240 2.622 3.922 . 0 0 "[ . 1 . 2]" 1
218 1 14 LYS H 1 102 THR HB 6.000 . 6.000 4.010 3.390 5.016 . 0 0 "[ . 1 . 2]" 1
219 1 14 LYS HA 1 14 LYS HD2 4.630 . 4.630 3.969 2.640 4.621 . 0 0 "[ . 1 . 2]" 1
220 1 14 LYS HA 1 14 LYS QD 4.110 . 4.110 3.200 2.108 3.901 . 0 0 "[ . 1 . 2]" 1
221 1 14 LYS HA 1 14 LYS HD3 4.630 . 4.630 3.469 2.148 4.569 . 0 0 "[ . 1 . 2]" 1
222 1 14 LYS HA 1 15 PRO HD2 3.480 . 3.480 2.737 2.234 3.003 . 0 0 "[ . 1 . 2]" 1
223 1 14 LYS HA 1 15 PRO QD 3.250 . 3.250 2.016 1.907 2.337 . 0 0 "[ . 1 . 2]" 1
224 1 14 LYS HA 1 15 PRO HD3 3.480 . 3.480 2.129 1.933 2.623 . 0 0 "[ . 1 . 2]" 1
225 1 14 LYS QB 1 15 PRO QD 4.550 . 4.550 2.350 1.786 2.822 . 0 0 "[ . 1 . 2]" 1
226 1 14 LYS QB 1 19 LEU HA 6.090 . 6.090 3.983 3.520 4.418 . 0 0 "[ . 1 . 2]" 1
227 1 14 LYS QB 1 19 LEU MD1 5.620 . 5.620 2.855 2.222 3.348 . 0 0 "[ . 1 . 2]" 1
228 1 14 LYS QB 1 19 LEU MD2 5.880 . 5.880 1.974 1.667 2.509 . 0 0 "[ . 1 . 2]" 1
229 1 14 LYS HB2 1 15 PRO HD2 5.780 . 5.780 3.939 3.430 4.227 . 0 0 "[ . 1 . 2]" 1
230 1 14 LYS HB2 1 15 PRO HD3 5.780 . 5.780 4.542 4.263 5.099 . 0 0 "[ . 1 . 2]" 1
231 1 14 LYS HB2 1 19 LEU MD1 5.830 . 5.830 2.992 2.243 3.723 . 0 0 "[ . 1 . 2]" 1
232 1 14 LYS HB3 1 15 PRO HD2 5.780 . 5.780 2.438 1.801 2.968 . 0 0 "[ . 1 . 2]" 1
233 1 14 LYS HB3 1 15 PRO HD3 5.780 . 5.780 3.409 3.002 4.310 . 0 0 "[ . 1 . 2]" 1
234 1 14 LYS HB3 1 19 LEU MD1 5.830 . 5.830 3.881 3.019 4.488 . 0 0 "[ . 1 . 2]" 1
235 1 14 LYS QD 1 15 PRO QD 5.460 . 5.460 3.201 2.010 4.022 . 0 0 "[ . 1 . 2]" 1
236 1 14 LYS QD 1 19 LEU MD1 7.900 . 7.900 5.017 3.861 5.675 . 0 0 "[ . 1 . 2]" 1
237 1 14 LYS QD 1 26 LEU QB 6.410 . 6.410 4.819 3.681 5.227 . 0 0 "[ . 1 . 2]" 1
238 1 14 LYS QD 1 26 LEU QD 5.980 . 5.980 3.043 1.944 3.815 . 0 0 "[ . 1 . 2]" 1
239 1 14 LYS HD2 1 15 PRO HD2 6.550 . 6.550 4.452 2.041 5.346 . 0 0 "[ . 1 . 2]" 1
240 1 14 LYS HD2 1 15 PRO HD3 6.550 . 6.550 5.070 3.320 6.120 . 0 0 "[ . 1 . 2]" 1
241 1 14 LYS HD2 1 26 LEU HB2 7.370 . 7.370 6.471 5.070 7.433 0.063 17 0 "[ . 1 . 2]" 1
242 1 14 LYS HD2 1 26 LEU HB3 7.370 . 7.370 5.954 4.710 6.801 . 0 0 "[ . 1 . 2]" 1
243 1 14 LYS HD2 1 26 LEU MD1 7.020 . 7.020 4.117 2.768 5.393 . 0 0 "[ . 1 . 2]" 1
244 1 14 LYS HD2 1 26 LEU MD2 7.020 . 7.020 4.037 2.058 5.412 . 0 0 "[ . 1 . 2]" 1
245 1 14 LYS HD3 1 15 PRO HD2 6.550 . 6.550 3.747 2.705 4.969 . 0 0 "[ . 1 . 2]" 1
246 1 14 LYS HD3 1 15 PRO HD3 6.550 . 6.550 4.327 2.657 5.836 . 0 0 "[ . 1 . 2]" 1
247 1 14 LYS HD3 1 26 LEU HB2 7.370 . 7.370 6.613 4.098 7.309 . 0 0 "[ . 1 . 2]" 1
248 1 14 LYS HD3 1 26 LEU HB3 7.370 . 7.370 6.020 4.661 7.376 0.006 15 0 "[ . 1 . 2]" 1
249 1 14 LYS HD3 1 26 LEU MD1 7.020 . 7.020 4.416 2.661 5.835 . 0 0 "[ . 1 . 2]" 1
250 1 14 LYS HD3 1 26 LEU MD2 7.020 . 7.020 4.344 2.184 5.689 . 0 0 "[ . 1 . 2]" 1
251 1 14 LYS QE 1 26 LEU QD 9.450 . 9.450 3.428 2.062 5.209 . 0 0 "[ . 1 . 2]" 1
252 1 14 LYS QG 1 26 LEU QD 7.040 . 7.040 4.024 3.062 4.613 . 0 0 "[ . 1 . 2]" 1
253 1 15 PRO HA 1 16 ALA HA 5.420 . 5.420 4.860 4.775 4.884 . 0 0 "[ . 1 . 2]" 1
254 1 15 PRO HA 1 16 ALA MB 5.540 . 5.540 4.139 4.100 4.197 . 0 0 "[ . 1 . 2]" 1
255 1 15 PRO HA 1 17 GLU H 5.860 . 5.860 5.372 5.180 5.886 0.026 2 0 "[ . 1 . 2]" 1
256 1 15 PRO HB2 1 16 ALA H 3.590 . 3.590 2.185 2.012 2.579 . 0 0 "[ . 1 . 2]" 1
257 1 15 PRO HB2 1 16 ALA MB 7.020 . 7.020 3.543 3.369 3.698 . 0 0 "[ . 1 . 2]" 1
258 1 15 PRO HB2 1 17 GLU H 4.340 . 4.340 3.118 2.779 3.668 . 0 0 "[ . 1 . 2]" 1
259 1 15 PRO HB2 1 18 GLN H 4.850 . 4.850 4.091 3.499 4.869 0.019 13 0 "[ . 1 . 2]" 1
260 1 15 PRO HB3 1 16 ALA H 3.980 . 3.980 3.626 3.536 3.784 . 0 0 "[ . 1 . 2]" 1
261 1 15 PRO HB3 1 17 GLU H 5.350 . 5.350 4.687 4.381 5.223 . 0 0 "[ . 1 . 2]" 1
262 1 15 PRO HB3 1 18 GLN H 6.000 . 6.000 5.702 5.257 6.016 0.016 9 0 "[ . 1 . 2]" 1
263 1 15 PRO QD 1 16 ALA H 5.060 . 5.060 2.970 2.742 3.298 . 0 0 "[ . 1 . 2]" 1
264 1 15 PRO QD 1 18 GLN QG 7.770 . 7.770 3.443 1.954 4.907 . 0 0 "[ . 1 . 2]" 1
265 1 15 PRO QG 1 16 ALA H 5.040 . 5.040 3.199 1.912 3.697 . 0 0 "[ . 1 . 2]" 1
266 1 15 PRO QG 1 17 GLU H 6.890 . 6.890 4.370 2.936 5.249 . 0 0 "[ . 1 . 2]" 1
267 1 15 PRO QG 1 18 GLN H 6.640 . 6.640 4.136 2.645 4.933 . 0 0 "[ . 1 . 2]" 1
268 1 15 PRO HG2 1 16 ALA H 5.500 . 5.500 3.350 1.920 3.919 . 0 0 "[ . 1 . 2]" 1
269 1 15 PRO HG3 1 16 ALA H 5.500 . 5.500 4.246 3.543 4.545 . 0 0 "[ . 1 . 2]" 1
270 1 16 ALA H 1 17 GLU H 3.620 . 3.620 2.380 2.105 2.807 . 0 0 "[ . 1 . 2]" 1
271 1 16 ALA H 1 102 THR MG 6.730 . 6.730 4.840 4.367 5.243 . 0 0 "[ . 1 . 2]" 1
272 1 16 ALA HA 1 18 GLN H 4.960 . 4.960 4.497 4.044 4.900 . 0 0 "[ . 1 . 2]" 1
273 1 16 ALA HA 1 19 LEU H 4.420 . 4.420 3.705 3.298 3.974 . 0 0 "[ . 1 . 2]" 1
274 1 16 ALA HA 1 19 LEU HB2 4.740 . 4.740 3.153 2.609 3.424 . 0 0 "[ . 1 . 2]" 1
275 1 16 ALA HA 1 19 LEU QB 4.340 . 4.340 3.098 2.582 3.355 . 0 0 "[ . 1 . 2]" 1
276 1 16 ALA HA 1 19 LEU HB3 4.740 . 4.740 4.563 4.120 4.867 0.127 2 0 "[ . 1 . 2]" 1
277 1 16 ALA HA 1 19 LEU MD1 5.080 . 5.080 2.148 1.756 2.729 . 0 0 "[ . 1 . 2]" 1
278 1 16 ALA HA 1 93 PHE QB 6.160 . 6.160 3.870 3.462 4.461 . 0 0 "[ . 1 . 2]" 1
279 1 16 ALA HA 1 102 THR MG 4.530 . 4.530 2.831 1.970 3.516 . 0 0 "[ . 1 . 2]" 1
280 1 16 ALA MB 1 17 GLU H 3.530 . 3.530 2.242 2.008 2.453 . 0 0 "[ . 1 . 2]" 1
281 1 16 ALA MB 1 17 GLU HA 7.020 . 7.020 3.675 3.548 3.812 . 0 0 "[ . 1 . 2]" 1
282 1 16 ALA MB 1 17 GLU QB 7.180 . 7.180 3.656 3.376 4.362 . 0 0 "[ . 1 . 2]" 1
283 1 16 ALA MB 1 18 GLN H 6.690 . 6.690 4.435 4.113 4.761 . 0 0 "[ . 1 . 2]" 1
284 1 16 ALA MB 1 19 LEU H 6.330 . 6.330 4.518 4.309 4.677 . 0 0 "[ . 1 . 2]" 1
285 1 16 ALA MB 1 19 LEU QB 7.900 . 7.900 4.110 3.784 4.349 . 0 0 "[ . 1 . 2]" 1
286 1 16 ALA MB 1 72 GLY HA2 6.230 . 6.230 2.545 1.887 3.646 . 0 0 "[ . 1 . 2]" 1
287 1 16 ALA MB 1 72 GLY QA 5.780 . 5.780 2.361 1.840 3.158 . 0 0 "[ . 1 . 2]" 1
288 1 16 ALA MB 1 72 GLY HA3 6.230 . 6.230 2.915 2.390 3.881 . 0 0 "[ . 1 . 2]" 1
289 1 16 ALA MB 1 73 LYS HA 7.020 . 7.020 5.308 4.501 5.775 . 0 0 "[ . 1 . 2]" 1
290 1 16 ALA MB 1 93 PHE HA 6.330 . 6.330 4.974 4.636 5.249 . 0 0 "[ . 1 . 2]" 1
291 1 16 ALA MB 1 93 PHE HB2 4.710 . 4.710 3.443 2.732 3.761 . 0 0 "[ . 1 . 2]" 1
292 1 16 ALA MB 1 93 PHE QB 4.470 . 4.470 2.784 2.377 3.125 . 0 0 "[ . 1 . 2]" 1
293 1 16 ALA MB 1 93 PHE HB3 4.710 . 4.710 2.950 2.566 3.402 . 0 0 "[ . 1 . 2]" 1
294 1 16 ALA MB 1 93 PHE QD 9.040 . 9.040 3.290 2.851 3.853 . 0 0 "[ . 1 . 2]" 1
295 1 16 ALA MB 1 102 THR MG 7.100 . 7.100 2.723 2.327 3.059 . 0 0 "[ . 1 . 2]" 1
296 1 17 GLU H 1 17 GLU HB2 3.370 . 3.370 2.476 2.086 2.793 . 0 0 "[ . 1 . 2]" 1
297 1 17 GLU H 1 17 GLU HB3 3.370 . 3.370 2.587 2.135 3.541 0.171 10 0 "[ . 1 . 2]" 1
298 1 17 GLU H 1 17 GLU HG2 4.520 . 4.520 4.308 3.125 4.561 0.041 19 0 "[ . 1 . 2]" 1
299 1 17 GLU H 1 17 GLU HG3 4.520 . 4.520 4.186 1.607 4.573 0.053 7 0 "[ . 1 . 2]" 1
300 1 17 GLU H 1 18 GLN H 3.370 . 3.370 2.830 2.595 3.036 . 0 0 "[ . 1 . 2]" 1
301 1 17 GLU H 1 19 LEU H 4.960 . 4.960 4.084 3.900 4.220 . 0 0 "[ . 1 . 2]" 1
302 1 17 GLU HA 1 20 TYR H 4.450 . 4.450 3.884 3.032 4.318 . 0 0 "[ . 1 . 2]" 1
303 1 17 GLU HA 1 20 TYR QB 5.730 . 5.730 4.152 2.773 5.153 . 0 0 "[ . 1 . 2]" 1
304 1 17 GLU HA 1 72 GLY QA 5.550 . 5.550 4.549 3.136 5.012 . 0 0 "[ . 1 . 2]" 1
305 1 17 GLU QB 1 18 GLN H 3.690 . 3.690 2.539 2.277 2.799 . 0 0 "[ . 1 . 2]" 1
306 1 17 GLU HB2 1 18 GLN H 4.090 . 4.090 3.722 2.373 4.080 . 0 0 "[ . 1 . 2]" 1
307 1 17 GLU HB3 1 18 GLN H 4.090 . 4.090 2.704 2.303 3.850 . 0 0 "[ . 1 . 2]" 1
308 1 17 GLU QG 1 18 GLN H 5.580 . 5.580 3.667 3.126 4.199 . 0 0 "[ . 1 . 2]" 1
309 1 17 GLU HG2 1 18 GLN H 5.860 . 5.860 3.947 3.192 4.970 . 0 0 "[ . 1 . 2]" 1
310 1 17 GLU HG3 1 18 GLN H 5.860 . 5.860 4.630 3.801 5.152 . 0 0 "[ . 1 . 2]" 1
311 1 18 GLN H 1 19 LEU H 3.230 . 3.230 2.584 2.376 2.803 . 0 0 "[ . 1 . 2]" 1
312 1 18 GLN H 1 20 TYR H 4.490 . 4.490 4.479 4.227 4.655 0.165 18 0 "[ . 1 . 2]" 1
313 1 18 GLN H 1 21 ALA MB 7.020 . 7.020 4.773 4.053 5.392 . 0 0 "[ . 1 . 2]" 1
314 1 18 GLN HA 1 18 GLN HG2 4.060 . 4.060 3.297 2.573 3.712 . 0 0 "[ . 1 . 2]" 1
315 1 18 GLN HA 1 18 GLN HG3 4.060 . 4.060 3.038 2.395 4.226 0.166 20 0 "[ . 1 . 2]" 1
316 1 18 GLN HA 1 21 ALA H 4.520 . 4.520 3.373 3.068 3.947 . 0 0 "[ . 1 . 2]" 1
317 1 18 GLN HA 1 21 ALA MB 3.810 . 3.810 2.513 1.748 3.104 . 0 0 "[ . 1 . 2]" 1
318 1 18 GLN HA 1 22 VAL H 5.600 . 5.600 5.123 4.512 5.615 0.015 3 0 "[ . 1 . 2]" 1
319 1 18 GLN QB 1 19 LEU H 4.270 . 4.270 3.180 2.750 3.842 . 0 0 "[ . 1 . 2]" 1
320 1 18 GLN HB2 1 19 LEU H 4.450 . 4.450 3.394 2.823 4.204 . 0 0 "[ . 1 . 2]" 1
321 1 18 GLN HB3 1 19 LEU H 4.450 . 4.450 3.985 3.175 4.445 . 0 0 "[ . 1 . 2]" 1
322 1 18 GLN HG2 1 19 LEU H 6.000 . 6.000 4.944 3.017 5.675 . 0 0 "[ . 1 . 2]" 1
323 1 18 GLN HG3 1 19 LEU H 6.000 . 6.000 5.083 4.419 5.679 . 0 0 "[ . 1 . 2]" 1
324 1 19 LEU H 1 19 LEU HB2 3.840 . 3.840 2.374 2.222 2.501 . 0 0 "[ . 1 . 2]" 1
325 1 19 LEU H 1 19 LEU QB 3.560 . 3.560 2.342 2.199 2.457 . 0 0 "[ . 1 . 2]" 1
326 1 19 LEU H 1 19 LEU HB3 3.840 . 3.840 3.577 3.511 3.612 . 0 0 "[ . 1 . 2]" 1
327 1 19 LEU H 1 19 LEU MD1 4.430 . 4.430 3.683 3.501 3.782 . 0 0 "[ . 1 . 2]" 1
328 1 19 LEU H 1 19 LEU MD2 4.430 . 4.430 3.541 3.176 3.695 . 0 0 "[ . 1 . 2]" 1
329 1 19 LEU H 1 19 LEU HG 3.230 . 3.230 2.547 2.250 2.784 . 0 0 "[ . 1 . 2]" 1
330 1 19 LEU H 1 20 TYR H 3.340 . 3.340 2.546 2.396 2.673 . 0 0 "[ . 1 . 2]" 1
331 1 19 LEU H 1 21 ALA H 5.030 . 5.030 3.769 3.393 4.088 . 0 0 "[ . 1 . 2]" 1
332 1 19 LEU H 1 21 ALA MB 7.020 . 7.020 4.521 4.011 4.943 . 0 0 "[ . 1 . 2]" 1
333 1 19 LEU HA 1 22 VAL H 4.160 . 4.160 3.787 3.499 4.017 . 0 0 "[ . 1 . 2]" 1
334 1 19 LEU HA 1 22 VAL HB 4.810 . 4.810 3.306 2.739 3.725 . 0 0 "[ . 1 . 2]" 1
335 1 19 LEU HA 1 22 VAL MG1 5.040 . 5.040 4.057 3.205 4.198 . 0 0 "[ . 1 . 2]" 1
336 1 19 LEU HA 1 140 PHE QE 8.130 . 8.130 5.778 4.621 6.929 . 0 0 "[ . 1 . 2]" 1
337 1 19 LEU HA 1 144 GLN QE 6.860 . 6.860 2.563 1.633 3.738 . 0 0 "[ . 1 . 2]" 1
338 1 19 LEU QB 1 93 PHE QB 7.760 . 7.760 4.893 4.411 5.397 . 0 0 "[ . 1 . 2]" 1
339 1 19 LEU QB 1 93 PHE QD 9.010 . 9.010 3.405 2.673 3.919 . 0 0 "[ . 1 . 2]" 1
340 1 19 LEU QB 1 93 PHE HZ 4.940 . 4.940 3.055 2.431 3.435 . 0 0 "[ . 1 . 2]" 1
341 1 19 LEU QB 1 102 THR MG 7.900 . 7.900 4.239 3.513 4.629 . 0 0 "[ . 1 . 2]" 1
342 1 19 LEU HB2 1 20 TYR H 4.240 . 4.240 2.749 2.466 3.161 . 0 0 "[ . 1 . 2]" 1
343 1 19 LEU HB2 1 93 PHE HZ 5.280 . 5.280 3.320 2.529 4.188 . 0 0 "[ . 1 . 2]" 1
344 1 19 LEU HB2 1 104 VAL MG1 7.020 . 7.020 4.346 3.332 5.109 . 0 0 "[ . 1 . 2]" 1
345 1 19 LEU HB3 1 20 TYR H 4.240 . 4.240 3.629 3.341 4.005 . 0 0 "[ . 1 . 2]" 1
346 1 19 LEU HB3 1 93 PHE HZ 5.280 . 5.280 3.690 3.090 4.204 . 0 0 "[ . 1 . 2]" 1
347 1 19 LEU HB3 1 104 VAL MG1 7.020 . 7.020 3.148 2.421 3.888 . 0 0 "[ . 1 . 2]" 1
348 1 19 LEU MD1 1 20 TYR H 6.410 . 6.410 4.630 4.403 5.012 . 0 0 "[ . 1 . 2]" 1
349 1 19 LEU MD1 1 93 PHE QD 9.150 . 9.150 2.502 2.135 2.997 . 0 0 "[ . 1 . 2]" 1
350 1 19 LEU MD1 1 93 PHE HZ 7.020 . 7.020 4.414 3.786 5.002 . 0 0 "[ . 1 . 2]" 1
351 1 19 LEU MD1 1 102 THR H 7.020 . 7.020 3.732 3.099 4.426 . 0 0 "[ . 1 . 2]" 1
352 1 19 LEU MD1 1 102 THR HB 4.570 . 4.570 2.090 1.586 2.743 . 0 0 "[ . 1 . 2]" 1
353 1 19 LEU MD1 1 104 VAL H 7.020 . 7.020 3.821 3.003 4.879 . 0 0 "[ . 1 . 2]" 1
354 1 19 LEU MD1 1 104 VAL MG1 6.780 . 6.780 2.663 1.955 3.198 . 0 0 "[ . 1 . 2]" 1
355 1 19 LEU MD1 1 104 VAL MG2 8.040 . 8.040 3.789 3.405 4.669 . 0 0 "[ . 1 . 2]" 1
356 1 19 LEU MD1 1 140 PHE QE 9.150 . 9.150 5.796 4.563 6.527 . 0 0 "[ . 1 . 2]" 1
357 1 19 LEU MD1 1 144 GLN HE21 7.020 . 7.020 4.891 3.912 5.825 . 0 0 "[ . 1 . 2]" 1
358 1 19 LEU MD1 1 144 GLN HE22 7.020 . 7.020 4.878 3.425 5.914 . 0 0 "[ . 1 . 2]" 1
359 1 19 LEU MD2 1 93 PHE QD 9.150 . 9.150 4.832 4.403 5.200 . 0 0 "[ . 1 . 2]" 1
360 1 19 LEU MD2 1 93 PHE HZ 7.020 . 7.020 5.400 4.840 5.831 . 0 0 "[ . 1 . 2]" 1
361 1 19 LEU MD2 1 104 VAL MG1 8.040 . 8.040 2.997 2.314 3.622 . 0 0 "[ . 1 . 2]" 1
362 1 19 LEU MD2 1 140 PHE QD 9.150 . 9.150 5.818 4.469 6.365 . 0 0 "[ . 1 . 2]" 1
363 1 19 LEU MD2 1 140 PHE QE 7.210 . 7.210 4.644 3.205 5.419 . 0 0 "[ . 1 . 2]" 1
364 1 19 LEU MD2 1 144 GLN QE 7.340 . 7.340 2.456 1.784 3.427 . 0 0 "[ . 1 . 2]" 1
365 1 19 LEU HG 1 20 TYR H 4.990 . 4.990 4.514 4.236 4.866 . 0 0 "[ . 1 . 2]" 1
366 1 19 LEU HG 1 144 GLN QE 6.860 . 6.860 4.588 3.942 5.432 . 0 0 "[ . 1 . 2]" 1
367 1 20 TYR H 1 20 TYR HB2 3.950 . 3.950 2.958 2.459 3.694 . 0 0 "[ . 1 . 2]" 1
368 1 20 TYR H 1 20 TYR QB 3.600 . 3.600 2.404 2.236 2.723 . 0 0 "[ . 1 . 2]" 1
369 1 20 TYR H 1 20 TYR HB3 3.950 . 3.950 2.725 2.310 3.640 . 0 0 "[ . 1 . 2]" 1
370 1 20 TYR H 1 21 ALA H 4.160 . 4.160 2.457 2.367 2.553 . 0 0 "[ . 1 . 2]" 1
371 1 20 TYR H 1 21 ALA MB 7.020 . 7.020 4.128 4.046 4.214 . 0 0 "[ . 1 . 2]" 1
372 1 20 TYR QB 1 21 ALA H 4.440 . 4.440 3.124 2.555 3.685 . 0 0 "[ . 1 . 2]" 1
373 1 20 TYR HB2 1 21 ALA H 4.630 . 4.630 3.884 2.785 4.284 . 0 0 "[ . 1 . 2]" 1
374 1 20 TYR HB3 1 21 ALA H 4.630 . 4.630 3.468 2.597 4.203 . 0 0 "[ . 1 . 2]" 1
375 1 20 TYR QD 1 21 ALA H 8.130 . 8.130 3.870 2.844 4.477 . 0 0 "[ . 1 . 2]" 1
376 1 20 TYR QD 1 21 ALA MB 9.150 . 9.150 4.201 3.334 5.227 . 0 0 "[ . 1 . 2]" 1
377 1 20 TYR QD 1 75 ILE HB 7.440 . 7.440 4.101 3.228 5.248 . 0 0 "[ . 1 . 2]" 1
378 1 20 TYR QD 1 75 ILE MD 9.150 . 9.150 3.245 2.387 4.511 . 0 0 "[ . 1 . 2]" 1
379 1 20 TYR QD 1 75 ILE HG12 8.130 . 8.130 3.972 2.670 5.571 . 0 0 "[ . 1 . 2]" 1
380 1 20 TYR QD 1 75 ILE QG 7.940 . 7.940 3.622 2.318 4.787 . 0 0 "[ . 1 . 2]" 1
381 1 20 TYR QD 1 75 ILE HG13 8.130 . 8.130 4.679 2.349 6.020 . 0 0 "[ . 1 . 2]" 1
382 1 20 TYR QD 1 75 ILE MG 8.250 . 8.250 3.558 2.298 5.074 . 0 0 "[ . 1 . 2]" 1
383 1 20 TYR QD 1 91 VAL HB 8.130 . 8.130 5.474 3.216 6.766 . 0 0 "[ . 1 . 2]" 1
384 1 20 TYR QD 1 91 VAL MG1 7.780 . 7.780 4.209 2.123 5.271 . 0 0 "[ . 1 . 2]" 1
385 1 20 TYR QD 1 91 VAL MG2 9.150 . 9.150 3.927 2.718 5.175 . 0 0 "[ . 1 . 2]" 1
386 1 20 TYR QE 1 91 VAL MG1 9.150 . 9.150 5.140 2.860 6.944 . 0 0 "[ . 1 . 2]" 1
387 1 20 TYR QE 1 91 VAL MG2 9.150 . 9.150 4.713 2.430 6.882 . 0 0 "[ . 1 . 2]" 1
388 1 21 ALA H 1 21 ALA MB 3.420 . 3.420 2.235 2.199 2.263 . 0 0 "[ . 1 . 2]" 1
389 1 21 ALA H 1 22 VAL H 3.620 . 3.620 2.610 2.518 2.710 . 0 0 "[ . 1 . 2]" 1
390 1 21 ALA H 1 22 VAL MG1 5.510 . 5.510 4.260 4.099 4.371 . 0 0 "[ . 1 . 2]" 1
391 1 21 ALA MB 1 22 VAL H 3.850 . 3.850 3.201 2.931 3.268 . 0 0 "[ . 1 . 2]" 1
392 1 21 ALA MB 1 22 VAL MG1 8.040 . 8.040 4.690 4.584 4.767 . 0 0 "[ . 1 . 2]" 1
393 1 21 ALA MB 1 26 LEU H 5.510 . 5.510 3.737 2.535 4.552 . 0 0 "[ . 1 . 2]" 1
394 1 22 VAL H 1 22 VAL HB 3.260 . 3.260 2.433 2.365 2.497 . 0 0 "[ . 1 . 2]" 1
395 1 22 VAL H 1 22 VAL MG1 3.420 . 3.420 2.268 2.159 2.391 . 0 0 "[ . 1 . 2]" 1
396 1 22 VAL H 1 22 VAL MG2 4.530 . 4.530 3.748 3.720 3.767 . 0 0 "[ . 1 . 2]" 1
397 1 22 VAL H 1 140 PHE QE 7.740 . 7.740 5.851 5.331 6.419 . 0 0 "[ . 1 . 2]" 1
398 1 22 VAL HA 1 26 LEU H 4.880 . 4.880 3.743 2.223 4.968 0.088 14 0 "[ . 1 . 2]" 1
399 1 22 VAL HB 1 104 VAL MG1 7.020 . 7.020 5.723 5.550 5.934 . 0 0 "[ . 1 . 2]" 1
400 1 22 VAL HB 1 140 PHE QD 7.590 . 7.590 5.683 3.674 6.567 . 0 0 "[ . 1 . 2]" 1
401 1 22 VAL HB 1 140 PHE QE 7.050 . 7.050 4.289 3.388 4.726 . 0 0 "[ . 1 . 2]" 1
402 1 22 VAL MG1 1 140 PHE QE 8.400 . 8.400 2.644 1.642 3.434 . 0 0 "[ . 1 . 2]" 1
403 1 22 VAL MG1 1 144 GLN HE21 4.820 . 4.820 3.275 2.151 4.021 . 0 0 "[ . 1 . 2]" 1
404 1 22 VAL MG1 1 144 GLN QE 4.650 . 4.650 2.888 1.931 3.571 . 0 0 "[ . 1 . 2]" 1
405 1 22 VAL MG1 1 144 GLN HE22 4.820 . 4.820 3.303 2.184 4.059 . 0 0 "[ . 1 . 2]" 1
406 1 22 VAL MG2 1 140 PHE QD 8.140 . 8.140 3.415 1.453 4.458 . 0 0 "[ . 1 . 2]" 1
407 1 22 VAL MG2 1 140 PHE QE 6.780 . 6.780 2.605 1.989 3.227 . 0 0 "[ . 1 . 2]" 1
408 1 22 VAL MG2 1 144 GLN HA 7.020 . 7.020 3.465 1.821 5.761 . 0 0 "[ . 1 . 2]" 1
409 1 22 VAL MG2 1 144 GLN QE 6.830 . 6.830 2.736 2.024 3.304 . 0 0 "[ . 1 . 2]" 1
410 1 23 TRP H 1 24 ARG H 4.090 . 4.090 2.674 2.503 2.955 . 0 0 "[ . 1 . 2]" 1
411 1 24 ARG H 1 24 ARG HB2 3.980 . 3.980 2.818 2.455 3.278 . 0 0 "[ . 1 . 2]" 1
412 1 24 ARG H 1 24 ARG QB 3.790 . 3.790 2.554 2.366 2.846 . 0 0 "[ . 1 . 2]" 1
413 1 24 ARG H 1 24 ARG HB3 3.980 . 3.980 3.161 2.474 3.858 . 0 0 "[ . 1 . 2]" 1
414 1 24 ARG H 1 25 ASP H 4.240 . 4.240 3.007 2.114 4.434 0.194 2 0 "[ . 1 . 2]" 1
415 1 24 ARG HB2 1 25 ASP H 5.060 . 5.060 3.603 1.955 4.640 . 0 0 "[ . 1 . 2]" 1
416 1 24 ARG HB3 1 25 ASP H 5.060 . 5.060 3.201 1.727 4.462 . 0 0 "[ . 1 . 2]" 1
417 1 25 ASP H 1 25 ASP HB2 3.300 . 3.300 3.039 2.408 3.438 0.138 7 0 "[ . 1 . 2]" 1
418 1 25 ASP H 1 25 ASP QB 3.110 . 3.110 2.713 2.022 2.936 . 0 0 "[ . 1 . 2]" 1
419 1 25 ASP H 1 25 ASP HB3 3.300 . 3.300 3.110 2.077 3.526 0.226 13 0 "[ . 1 . 2]" 1
420 1 25 ASP H 1 26 LEU H 6.000 . 6.000 3.277 1.760 4.522 . 0 0 "[ . 1 . 2]" 1
421 1 25 ASP HA 1 26 LEU H 3.160 . 3.160 2.651 2.117 3.209 0.049 3 0 "[ . 1 . 2]" 1
422 1 26 LEU H 1 26 LEU QB 3.890 . 3.890 3.120 2.620 3.438 . 0 0 "[ . 1 . 2]" 1
423 1 26 LEU H 1 27 PRO HD2 5.530 . 5.530 4.387 3.451 5.232 . 0 0 "[ . 1 . 2]" 1
424 1 26 LEU H 1 27 PRO QD 4.890 . 4.890 3.198 2.166 4.133 . 0 0 "[ . 1 . 2]" 1
425 1 26 LEU H 1 27 PRO HD3 5.530 . 5.530 3.313 2.187 4.523 . 0 0 "[ . 1 . 2]" 1
426 1 26 LEU QB 1 27 PRO QD 5.490 . 5.490 3.305 1.805 3.833 . 0 0 "[ . 1 . 2]" 1
427 1 26 LEU QB 1 27 PRO HG2 6.880 . 6.880 5.482 3.621 6.183 . 0 0 "[ . 1 . 2]" 1
428 1 26 LEU HB2 1 27 PRO HD2 6.000 . 6.000 4.530 3.358 5.310 . 0 0 "[ . 1 . 2]" 1
429 1 26 LEU HB2 1 27 PRO HD3 6.000 . 6.000 4.619 4.019 5.239 . 0 0 "[ . 1 . 2]" 1
430 1 26 LEU HB3 1 27 PRO HD2 6.000 . 6.000 4.046 1.823 5.121 . 0 0 "[ . 1 . 2]" 1
431 1 26 LEU HB3 1 27 PRO HD3 6.000 . 6.000 4.252 2.816 4.979 . 0 0 "[ . 1 . 2]" 1
432 1 27 PRO HA 1 28 GLY H 3.410 . 3.410 2.591 2.134 3.558 0.148 4 0 "[ . 1 . 2]" 1
433 1 27 PRO QB 1 28 GLY H 4.190 . 4.190 3.014 2.035 3.696 . 0 0 "[ . 1 . 2]" 1
434 1 27 PRO HB2 1 28 GLY H 4.560 . 4.560 3.244 2.054 4.209 . 0 0 "[ . 1 . 2]" 1
435 1 27 PRO HB3 1 28 GLY H 4.560 . 4.560 3.798 2.939 4.433 . 0 0 "[ . 1 . 2]" 1
436 1 28 GLY HA2 1 31 LEU MD1 7.020 . 7.020 5.612 4.670 5.913 . 0 0 "[ . 1 . 2]" 1
437 1 28 GLY HA3 1 31 LEU MD1 7.020 . 7.020 5.585 4.491 6.002 . 0 0 "[ . 1 . 2]" 1
438 1 29 LEU H 1 29 LEU HB2 4.020 . 4.020 3.295 2.390 3.872 . 0 0 "[ . 1 . 2]" 1
439 1 29 LEU H 1 29 LEU QB 3.710 . 3.710 2.954 2.357 3.370 . 0 0 "[ . 1 . 2]" 1
440 1 29 LEU H 1 29 LEU HB3 4.020 . 4.020 3.615 2.422 4.106 0.086 10 0 "[ . 1 . 2]" 1
441 1 29 LEU H 1 29 LEU MD1 5.580 . 5.580 3.042 1.901 4.270 . 0 0 "[ . 1 . 2]" 1
442 1 29 LEU H 1 29 LEU HG 4.340 . 4.340 3.148 2.120 4.551 0.211 16 0 "[ . 1 . 2]" 1
443 1 29 LEU HA 1 29 LEU MD1 4.280 . 4.280 3.269 1.863 3.910 . 0 0 "[ . 1 . 2]" 1
444 1 29 LEU HA 1 32 LEU H 5.350 . 5.350 4.771 3.166 5.496 0.146 11 0 "[ . 1 . 2]" 1
445 1 29 LEU HA 1 32 LEU MD2 5.790 . 5.790 4.407 3.699 4.832 . 0 0 "[ . 1 . 2]" 1
446 1 29 LEU QB 1 39 VAL QG 7.750 . 7.750 4.287 1.666 5.152 . 0 0 "[ . 1 . 2]" 1
447 1 29 LEU HB2 1 39 VAL MG1 8.780 . 8.780 5.303 1.683 7.253 . 0 0 "[ . 1 . 2]" 1
448 1 29 LEU HB2 1 39 VAL MG2 8.780 . 8.780 5.651 3.628 6.862 . 0 0 "[ . 1 . 2]" 1
449 1 29 LEU HB3 1 39 VAL MG1 8.780 . 8.780 5.825 2.696 6.919 . 0 0 "[ . 1 . 2]" 1
450 1 29 LEU HB3 1 39 VAL MG2 8.780 . 8.780 6.169 4.664 7.266 . 0 0 "[ . 1 . 2]" 1
451 1 29 LEU MD1 1 32 LEU QB 7.610 . 7.610 4.481 2.704 5.562 . 0 0 "[ . 1 . 2]" 1
452 1 29 LEU MD1 1 32 LEU MD1 8.040 . 8.040 4.463 2.774 5.551 . 0 0 "[ . 1 . 2]" 1
453 1 29 LEU MD1 1 32 LEU MD2 7.170 . 7.170 3.011 1.617 4.166 . 0 0 "[ . 1 . 2]" 1
454 1 29 LEU MD1 1 39 VAL QG 9.590 . 9.590 4.123 2.005 5.783 . 0 0 "[ . 1 . 2]" 1
455 1 29 LEU MD2 1 39 VAL QG 9.590 . 9.590 4.167 2.510 5.880 . 0 0 "[ . 1 . 2]" 1
456 1 31 LEU H 1 31 LEU MD2 5.470 . 5.470 3.846 1.503 4.657 . 0 0 "[ . 1 . 2]" 1
457 1 31 LEU H 1 31 LEU HG 4.130 . 4.130 3.673 3.012 4.370 0.240 17 0 "[ . 1 . 2]" 1
458 1 31 LEU H 1 32 LEU H 4.200 . 4.200 2.619 1.678 3.982 . 0 0 "[ . 1 . 2]" 1
459 1 31 LEU HA 1 31 LEU MD2 4.430 . 4.430 3.640 3.396 3.775 . 0 0 "[ . 1 . 2]" 1
460 1 32 LEU H 1 32 LEU MD1 5.220 . 5.220 3.742 2.586 4.436 . 0 0 "[ . 1 . 2]" 1
461 1 32 LEU H 1 33 MET H 3.910 . 3.910 3.122 2.317 4.168 0.258 19 0 "[ . 1 . 2]" 1
462 1 32 LEU HB2 1 33 MET H 4.810 . 4.810 4.025 1.872 4.570 . 0 0 "[ . 1 . 2]" 1
463 1 32 LEU HB3 1 33 MET H 4.810 . 4.810 4.149 2.895 4.550 . 0 0 "[ . 1 . 2]" 1
464 1 32 LEU MD1 1 33 MET H 7.020 . 7.020 4.444 2.344 5.643 . 0 0 "[ . 1 . 2]" 1
465 1 32 LEU MD1 1 51 VAL MG1 8.040 . 8.040 4.581 2.905 5.467 . 0 0 "[ . 1 . 2]" 1
466 1 32 LEU MD1 1 51 VAL MG2 8.040 . 8.040 4.625 2.478 5.410 . 0 0 "[ . 1 . 2]" 1
467 1 32 LEU MD2 1 51 VAL QG 9.590 . 9.590 4.897 3.562 5.922 . 0 0 "[ . 1 . 2]" 1
468 1 37 ARG H 1 38 SER H 4.380 . 4.380 3.499 1.975 4.511 0.131 12 0 "[ . 1 . 2]" 1
469 1 37 ARG HB2 1 38 SER H 6.000 . 6.000 3.681 1.937 4.577 . 0 0 "[ . 1 . 2]" 1
470 1 37 ARG HB3 1 38 SER H 6.000 . 6.000 3.809 1.614 4.483 . 0 0 "[ . 1 . 2]" 1
471 1 37 ARG HG2 1 38 SER H 6.000 . 6.000 4.237 2.027 5.296 . 0 0 "[ . 1 . 2]" 1
472 1 37 ARG HG3 1 38 SER H 6.000 . 6.000 3.929 1.796 5.667 . 0 0 "[ . 1 . 2]" 1
473 1 38 SER HB2 1 39 VAL H 4.990 . 4.990 3.376 1.831 4.587 . 0 0 "[ . 1 . 2]" 1
474 1 38 SER HB3 1 39 VAL H 4.990 . 4.990 3.632 1.881 4.481 . 0 0 "[ . 1 . 2]" 1
475 1 39 VAL HB 1 40 GLU H 4.600 . 4.600 3.796 2.209 4.562 . 0 0 "[ . 1 . 2]" 1
476 1 39 VAL QG 1 40 GLU H 8.570 . 8.570 2.804 1.478 3.757 . 0 0 "[ . 1 . 2]" 1
477 1 40 GLU H 1 41 VAL H 4.880 . 4.880 3.968 2.373 4.644 . 0 0 "[ . 1 . 2]" 1
478 1 40 GLU HA 1 41 VAL H 2.900 . 2.900 2.598 2.157 3.066 0.166 4 0 "[ . 1 . 2]" 1
479 1 40 GLU HB2 1 41 VAL H 5.420 . 5.420 3.789 1.836 4.639 . 0 0 "[ . 1 . 2]" 1
480 1 40 GLU HB3 1 41 VAL H 5.420 . 5.420 3.373 1.579 4.435 . 0 0 "[ . 1 . 2]" 1
481 1 40 GLU HG2 1 41 VAL H 6.000 . 6.000 3.948 1.503 5.346 . 0 0 "[ . 1 . 2]" 1
482 1 40 GLU HG3 1 41 VAL H 6.000 . 6.000 4.238 2.611 6.004 0.004 1 0 "[ . 1 . 2]" 1
483 1 41 VAL H 1 41 VAL HB 3.120 . 3.120 2.746 2.461 3.229 0.109 4 0 "[ . 1 . 2]" 1
484 1 41 VAL H 1 42 LEU H 6.000 . 6.000 4.232 2.488 4.629 . 0 0 "[ . 1 . 2]" 1
485 1 41 VAL HA 1 42 LEU H 3.340 . 3.340 2.318 2.093 3.546 0.206 9 0 "[ . 1 . 2]" 1
486 1 41 VAL HA 1 47 SER HA 6.000 . 6.000 5.222 3.056 6.058 0.058 12 0 "[ . 1 . 2]" 1
487 1 41 VAL HB 1 42 LEU H 4.990 . 4.990 4.074 3.797 4.418 . 0 0 "[ . 1 . 2]" 1
488 1 41 VAL QG 1 43 ASP H 7.420 . 7.420 2.895 1.914 4.310 . 0 0 "[ . 1 . 2]" 1
489 1 41 VAL QG 1 47 SER HA 7.520 . 7.520 3.722 1.984 5.183 . 0 0 "[ . 1 . 2]" 1
490 1 41 VAL MG1 1 42 LEU H 4.750 . 4.750 2.891 1.750 4.031 . 0 0 "[ . 1 . 2]" 1
491 1 41 VAL MG2 1 42 LEU H 4.750 . 4.750 3.472 2.118 4.049 . 0 0 "[ . 1 . 2]" 1
492 1 42 LEU H 1 43 ASP H 3.050 . 3.050 2.583 1.917 3.062 0.012 10 0 "[ . 1 . 2]" 1
493 1 42 LEU QB 1 43 ASP H 3.670 . 3.670 2.322 1.895 3.381 . 0 0 "[ . 1 . 2]" 1
494 1 42 LEU HB2 1 43 ASP H 3.840 . 3.840 2.940 1.924 3.862 0.022 8 0 "[ . 1 . 2]" 1
495 1 42 LEU HB3 1 43 ASP H 3.840 . 3.840 2.852 1.911 4.036 0.196 19 0 "[ . 1 . 2]" 1
496 1 42 LEU QD 1 47 SER HA 8.570 . 8.570 4.905 3.047 6.334 . 0 0 "[ . 1 . 2]" 1
497 1 42 LEU QD 1 48 ARG H 8.460 . 8.460 4.963 2.149 6.167 . 0 0 "[ . 1 . 2]" 1
498 1 42 LEU MD1 1 43 ASP H 7.020 . 7.020 4.052 1.870 4.575 . 0 0 "[ . 1 . 2]" 1
499 1 42 LEU MD2 1 43 ASP H 7.020 . 7.020 4.001 2.847 4.727 . 0 0 "[ . 1 . 2]" 1
500 1 42 LEU HG 1 43 ASP H 4.560 . 4.560 4.000 1.932 4.670 0.110 20 0 "[ . 1 . 2]" 1
501 1 43 ASP H 1 46 ARG QB 6.630 . 6.630 5.373 4.094 6.181 . 0 0 "[ . 1 . 2]" 1
502 1 43 ASP HA 1 44 ASP H 3.370 . 3.370 3.022 1.970 3.540 0.170 2 0 "[ . 1 . 2]" 1
503 1 43 ASP QB 1 44 ASP H 3.720 . 3.720 2.744 1.885 3.550 . 0 0 "[ . 1 . 2]" 1
504 1 43 ASP HB2 1 44 ASP H 3.880 . 3.880 3.461 1.995 4.069 0.189 1 0 "[ . 1 . 2]" 1
505 1 43 ASP HB3 1 44 ASP H 3.880 . 3.880 3.133 1.894 4.056 0.176 5 0 "[ . 1 . 2]" 1
506 1 44 ASP H 1 44 ASP HB2 3.520 . 3.520 2.933 2.284 3.639 0.119 9 0 "[ . 1 . 2]" 1
507 1 44 ASP H 1 44 ASP HB3 3.520 . 3.520 2.970 2.051 3.613 0.093 19 0 "[ . 1 . 2]" 1
508 1 44 ASP H 1 45 LYS H 3.480 . 3.480 2.733 2.162 3.532 0.052 11 0 "[ . 1 . 2]" 1
509 1 44 ASP H 1 66 LEU MD2 7.020 . 7.020 5.411 4.526 6.009 . 0 0 "[ . 1 . 2]" 1
510 1 44 ASP QB 1 45 LYS H 4.200 . 4.200 2.777 1.723 3.937 . 0 0 "[ . 1 . 2]" 1
511 1 44 ASP HB2 1 45 LYS H 4.420 . 4.420 3.749 2.938 4.513 0.093 11 0 "[ . 1 . 2]" 1
512 1 44 ASP HB2 1 66 LEU MD2 7.020 . 7.020 5.158 3.784 5.854 . 0 0 "[ . 1 . 2]" 1
513 1 44 ASP HB3 1 45 LYS H 4.420 . 4.420 3.057 1.729 4.426 0.006 20 0 "[ . 1 . 2]" 1
514 1 44 ASP HB3 1 66 LEU MD2 7.020 . 7.020 4.736 3.113 5.852 . 0 0 "[ . 1 . 2]" 1
515 1 45 LYS H 1 45 LYS HB2 3.590 . 3.590 2.548 2.029 3.322 . 0 0 "[ . 1 . 2]" 1
516 1 45 LYS H 1 45 LYS QB 3.310 . 3.310 2.404 2.002 2.874 . 0 0 "[ . 1 . 2]" 1
517 1 45 LYS H 1 45 LYS HB3 3.590 . 3.590 3.326 2.306 3.718 0.128 10 0 "[ . 1 . 2]" 1
518 1 45 LYS H 1 45 LYS HD2 6.000 . 6.000 4.588 2.434 6.020 0.020 9 0 "[ . 1 . 2]" 1
519 1 45 LYS H 1 45 LYS HD3 6.000 . 6.000 4.379 3.287 6.049 0.049 15 0 "[ . 1 . 2]" 1
520 1 45 LYS H 1 45 LYS HE2 6.000 . 6.000 5.131 3.500 5.973 . 0 0 "[ . 1 . 2]" 1
521 1 45 LYS H 1 45 LYS HE3 6.000 . 6.000 5.129 3.646 6.042 0.042 3 0 "[ . 1 . 2]" 1
522 1 45 LYS H 1 46 ARG H 3.010 . 3.010 2.546 1.897 3.139 0.129 9 0 "[ . 1 . 2]" 1
523 1 45 LYS H 1 46 ARG QB 5.980 . 5.980 4.773 3.635 5.389 . 0 0 "[ . 1 . 2]" 1
524 1 45 LYS HA 1 45 LYS HD2 4.600 . 4.600 3.148 1.811 4.701 0.101 4 0 "[ . 1 . 2]" 1
525 1 45 LYS HA 1 45 LYS HD3 4.600 . 4.600 2.990 1.512 4.591 . 0 0 "[ . 1 . 2]" 1
526 1 45 LYS HA 1 45 LYS HE2 4.270 . 4.270 3.477 1.317 4.400 0.130 20 0 "[ . 1 . 2]" 1
527 1 45 LYS HA 1 45 LYS QE 4.000 . 4.000 2.899 1.315 3.942 . 0 0 "[ . 1 . 2]" 1
528 1 45 LYS HA 1 45 LYS HE3 4.270 . 4.270 3.550 2.305 4.494 0.224 10 0 "[ . 1 . 2]" 1
529 1 45 LYS HA 1 46 ARG HA 4.560 . 4.560 4.565 4.356 4.830 0.270 14 0 "[ . 1 . 2]" 1
530 1 45 LYS HA 1 66 LEU MD2 5.940 . 5.940 3.045 1.665 4.849 . 0 0 "[ . 1 . 2]" 1
531 1 45 LYS QB 1 46 ARG HA 6.880 . 6.880 4.530 3.960 5.503 . 0 0 "[ . 1 . 2]" 1
532 1 45 LYS QB 1 66 LEU H 6.880 . 6.880 4.866 2.844 6.148 . 0 0 "[ . 1 . 2]" 1
533 1 45 LYS QB 1 66 LEU MD2 7.250 . 7.250 3.689 1.386 5.335 . 0 0 "[ . 1 . 2]" 1
534 1 45 LYS HB2 1 46 ARG H 5.030 . 5.030 3.483 2.206 4.595 . 0 0 "[ . 1 . 2]" 1
535 1 45 LYS HB3 1 46 ARG H 5.030 . 5.030 3.621 2.372 4.403 . 0 0 "[ . 1 . 2]" 1
536 1 45 LYS HD2 1 46 ARG H 6.000 . 6.000 5.392 4.317 6.393 0.393 8 0 "[ . 1 . 2]" 1
537 1 45 LYS HD3 1 46 ARG H 6.000 . 6.000 5.173 3.944 6.141 0.141 7 0 "[ . 1 . 2]" 1
538 1 45 LYS QE 1 66 LEU QB 7.760 . 7.760 3.805 2.191 6.306 . 0 0 "[ . 1 . 2]" 1
539 1 45 LYS QE 1 66 LEU MD2 7.900 . 7.900 3.571 2.101 5.534 . 0 0 "[ . 1 . 2]" 1
540 1 45 LYS HG2 1 46 ARG H 6.000 . 6.000 4.861 4.030 5.902 . 0 0 "[ . 1 . 2]" 1
541 1 45 LYS HG3 1 46 ARG H 6.000 . 6.000 4.870 2.892 5.897 . 0 0 "[ . 1 . 2]" 1
542 1 46 ARG H 1 47 SER H 4.990 . 4.990 4.312 3.944 4.622 . 0 0 "[ . 1 . 2]" 1
543 1 46 ARG HA 1 46 ARG HG2 4.240 . 4.240 3.290 2.322 4.003 . 0 0 "[ . 1 . 2]" 1
544 1 46 ARG HA 1 46 ARG HG3 4.240 . 4.240 3.369 2.332 4.226 . 0 0 "[ . 1 . 2]" 1
545 1 46 ARG HA 1 47 SER H 2.830 . 2.830 2.453 2.087 2.842 0.012 7 0 "[ . 1 . 2]" 1
546 1 46 ARG QB 1 47 SER H 3.920 . 3.920 2.459 1.702 3.635 . 0 0 "[ . 1 . 2]" 1
547 1 46 ARG HB2 1 47 SER H 4.130 . 4.130 3.080 1.820 4.362 0.232 17 0 "[ . 1 . 2]" 1
548 1 46 ARG HB3 1 47 SER H 4.130 . 4.130 3.138 1.713 4.189 0.059 2 0 "[ . 1 . 2]" 1
549 1 46 ARG QG 1 47 SER H 5.660 . 5.660 3.579 2.609 4.281 . 0 0 "[ . 1 . 2]" 1
550 1 46 ARG HG2 1 47 SER H 5.820 . 5.820 4.209 3.106 5.456 . 0 0 "[ . 1 . 2]" 1
551 1 46 ARG HG3 1 47 SER H 5.820 . 5.820 4.026 2.804 5.240 . 0 0 "[ . 1 . 2]" 1
552 1 47 SER H 1 64 ALA H 3.730 . 3.730 3.318 2.391 3.928 0.198 14 0 "[ . 1 . 2]" 1
553 1 47 SER H 1 64 ALA MB 5.110 . 5.110 3.679 2.703 4.122 . 0 0 "[ . 1 . 2]" 1
554 1 47 SER QB 1 48 ARG H 4.310 . 4.310 2.884 1.661 3.906 . 0 0 "[ . 1 . 2]" 1
555 1 47 SER HB2 1 48 ARG H 4.520 . 4.520 3.512 1.848 4.516 . 0 0 "[ . 1 . 2]" 1
556 1 47 SER HB3 1 48 ARG H 4.520 . 4.520 3.338 1.675 4.526 0.006 3 0 "[ . 1 . 2]" 1
557 1 51 VAL MG1 1 52 GLU H 7.020 . 7.020 3.553 2.308 4.380 . 0 0 "[ . 1 . 2]" 1
558 1 51 VAL MG2 1 52 GLU H 7.020 . 7.020 3.428 1.409 4.334 . 0 0 "[ . 1 . 2]" 1
559 1 52 GLU H 1 53 ALA H 3.800 . 3.800 2.970 1.710 3.947 0.147 14 0 "[ . 1 . 2]" 1
560 1 52 GLU HA 1 53 ALA H 3.480 . 3.480 2.843 2.083 3.536 0.056 5 0 "[ . 1 . 2]" 1
561 1 52 GLU HG2 1 53 ALA H 6.000 . 6.000 4.701 3.281 5.908 . 0 0 "[ . 1 . 2]" 1
562 1 52 GLU HG3 1 53 ALA H 6.000 . 6.000 4.922 3.641 5.926 . 0 0 "[ . 1 . 2]" 1
563 1 53 ALA HA 1 54 PRO HG2 6.000 . 6.000 4.524 4.382 4.727 . 0 0 "[ . 1 . 2]" 1
564 1 53 ALA HA 1 54 PRO HG3 6.000 . 6.000 4.301 3.827 4.759 . 0 0 "[ . 1 . 2]" 1
565 1 54 PRO HA 1 55 ALA H 3.010 . 3.010 2.375 2.118 2.713 . 0 0 "[ . 1 . 2]" 1
566 1 54 PRO HA 1 55 ALA MB 5.220 . 5.220 4.189 3.946 4.397 . 0 0 "[ . 1 . 2]" 1
567 1 54 PRO QB 1 55 ALA H 3.820 . 3.820 2.777 1.910 3.524 . 0 0 "[ . 1 . 2]" 1
568 1 54 PRO QB 1 55 ALA MB 6.780 . 6.780 3.658 3.219 4.749 . 0 0 "[ . 1 . 2]" 1
569 1 54 PRO HB2 1 55 ALA H 4.060 . 4.060 3.001 1.923 4.047 . 0 0 "[ . 1 . 2]" 1
570 1 54 PRO HB3 1 55 ALA H 4.060 . 4.060 3.458 2.624 4.138 0.078 17 0 "[ . 1 . 2]" 1
571 1 55 ALA HA 1 56 PRO QB 6.220 . 6.220 4.693 4.596 4.805 . 0 0 "[ . 1 . 2]" 1
572 1 55 ALA HA 1 57 LEU H 4.490 . 4.490 4.156 3.364 4.637 0.147 5 0 "[ . 1 . 2]" 1
573 1 55 ALA HA 1 58 GLY H 4.380 . 4.380 4.207 3.348 4.488 0.108 9 0 "[ . 1 . 2]" 1
574 1 55 ALA MB 1 56 PRO HB2 7.020 . 7.020 5.216 4.221 6.001 . 0 0 "[ . 1 . 2]" 1
575 1 55 ALA MB 1 56 PRO QB 6.840 . 6.840 4.724 4.048 5.192 . 0 0 "[ . 1 . 2]" 1
576 1 55 ALA MB 1 56 PRO HB3 7.020 . 7.020 5.429 5.183 5.932 . 0 0 "[ . 1 . 2]" 1
577 1 55 ALA MB 1 57 LEU H 5.220 . 5.220 3.341 2.614 4.371 . 0 0 "[ . 1 . 2]" 1
578 1 55 ALA MB 1 58 GLY H 4.500 . 4.500 2.664 2.214 3.468 . 0 0 "[ . 1 . 2]" 1
579 1 55 ALA MB 1 58 GLY QA 7.470 . 7.470 2.486 1.813 3.425 . 0 0 "[ . 1 . 2]" 1
580 1 56 PRO HA 1 58 GLY H 5.210 . 5.210 4.352 3.713 5.035 . 0 0 "[ . 1 . 2]" 1
581 1 56 PRO QB 1 57 LEU QD 7.750 . 7.750 2.882 1.464 3.948 . 0 0 "[ . 1 . 2]" 1
582 1 56 PRO QB 1 65 GLU H 6.880 . 6.880 5.504 4.608 6.242 . 0 0 "[ . 1 . 2]" 1
583 1 56 PRO QB 1 80 LEU MD2 5.880 . 5.880 3.326 1.778 4.244 . 0 0 "[ . 1 . 2]" 1
584 1 56 PRO HB2 1 57 LEU MD1 8.790 . 8.790 3.650 1.470 5.370 . 0 0 "[ . 1 . 2]" 1
585 1 56 PRO HB2 1 57 LEU MD2 8.790 . 8.790 3.706 2.083 5.565 . 0 0 "[ . 1 . 2]" 1
586 1 56 PRO HB2 1 80 LEU MD1 7.020 . 7.020 3.581 1.783 5.012 . 0 0 "[ . 1 . 2]" 1
587 1 56 PRO HB2 1 80 LEU MD2 6.440 . 6.440 3.478 1.793 4.573 . 0 0 "[ . 1 . 2]" 1
588 1 56 PRO HB3 1 57 LEU MD1 8.790 . 8.790 4.938 2.872 6.581 . 0 0 "[ . 1 . 2]" 1
589 1 56 PRO HB3 1 57 LEU MD2 8.790 . 8.790 4.978 3.609 6.557 . 0 0 "[ . 1 . 2]" 1
590 1 56 PRO HB3 1 80 LEU MD1 7.020 . 7.020 4.714 3.054 5.782 . 0 0 "[ . 1 . 2]" 1
591 1 56 PRO HB3 1 80 LEU MD2 6.440 . 6.440 4.419 2.921 5.198 . 0 0 "[ . 1 . 2]" 1
592 1 56 PRO QG 1 80 LEU MD2 7.910 . 7.910 4.057 2.087 5.375 . 0 0 "[ . 1 . 2]" 1
593 1 56 PRO HG2 1 57 LEU MD1 7.020 . 7.020 3.484 1.696 4.494 . 0 0 "[ . 1 . 2]" 1
594 1 56 PRO HG2 1 57 LEU MD2 7.020 . 7.020 3.518 1.854 4.859 . 0 0 "[ . 1 . 2]" 1
595 1 56 PRO HG3 1 57 LEU MD1 7.020 . 7.020 4.716 3.198 5.791 . 0 0 "[ . 1 . 2]" 1
596 1 56 PRO HG3 1 57 LEU MD2 7.020 . 7.020 4.802 3.226 6.020 . 0 0 "[ . 1 . 2]" 1
597 1 57 LEU H 1 57 LEU HB2 3.880 . 3.880 3.469 2.148 3.923 0.043 14 0 "[ . 1 . 2]" 1
598 1 57 LEU H 1 57 LEU HB3 3.880 . 3.880 3.318 2.667 3.795 . 0 0 "[ . 1 . 2]" 1
599 1 57 LEU H 1 58 GLY H 3.730 . 3.730 2.176 1.670 2.959 . 0 0 "[ . 1 . 2]" 1
600 1 57 LEU H 1 80 LEU MD2 7.020 . 7.020 4.578 3.002 5.913 . 0 0 "[ . 1 . 2]" 1
601 1 57 LEU QB 1 58 GLY H 4.150 . 4.150 3.782 3.485 3.936 . 0 0 "[ . 1 . 2]" 1
602 1 57 LEU QB 1 65 GLU H 6.880 . 6.880 6.029 5.266 6.303 . 0 0 "[ . 1 . 2]" 1
603 1 57 LEU HB2 1 58 GLY H 4.420 . 4.420 4.156 3.642 4.460 0.040 4 0 "[ . 1 . 2]" 1
604 1 57 LEU HB3 1 58 GLY H 4.420 . 4.420 4.396 4.136 4.554 0.134 13 0 "[ . 1 . 2]" 1
605 1 57 LEU HG 1 63 GLU H 6.000 . 6.000 5.811 4.535 6.197 0.197 1 0 "[ . 1 . 2]" 1
606 1 59 ALA H 1 60 VAL HA 4.990 . 4.990 4.781 4.103 5.168 0.178 8 0 "[ . 1 . 2]" 1
607 1 59 ALA MB 1 60 VAL HA 6.230 . 6.230 4.204 3.662 5.040 . 0 0 "[ . 1 . 2]" 1
608 1 60 VAL QG 1 61 SER H 8.570 . 8.570 2.864 1.917 3.772 . 0 0 "[ . 1 . 2]" 1
609 1 60 VAL QG 1 80 LEU QB 8.520 . 8.520 4.795 2.157 5.483 . 0 0 "[ . 1 . 2]" 1
610 1 60 VAL MG1 1 80 LEU HB2 10.120 . 10.120 6.426 3.395 8.301 . 0 0 "[ . 1 . 2]" 1
611 1 60 VAL MG1 1 80 LEU HB3 10.120 . 10.120 6.679 2.192 8.429 . 0 0 "[ . 1 . 2]" 1
612 1 60 VAL MG2 1 80 LEU HB2 10.120 . 10.120 6.234 4.969 8.061 . 0 0 "[ . 1 . 2]" 1
613 1 60 VAL MG2 1 80 LEU HB3 10.120 . 10.120 6.471 4.143 7.888 . 0 0 "[ . 1 . 2]" 1
614 1 62 TRP HA 1 63 GLU H 3.300 . 3.300 2.986 2.088 3.476 0.176 18 0 "[ . 1 . 2]" 1
615 1 62 TRP HB2 1 63 GLU H 3.770 . 3.770 3.458 2.532 4.062 0.292 1 0 "[ . 1 . 2]" 1
616 1 62 TRP HB3 1 63 GLU H 3.770 . 3.770 3.493 1.603 4.084 0.314 15 0 "[ . 1 . 2]" 1
617 1 63 GLU H 1 63 GLU HG2 5.530 . 5.530 3.738 1.504 5.005 . 0 0 "[ . 1 . 2]" 1
618 1 63 GLU H 1 63 GLU QG 5.110 . 5.110 3.258 1.498 4.206 . 0 0 "[ . 1 . 2]" 1
619 1 63 GLU H 1 63 GLU HG3 5.530 . 5.530 3.944 1.875 5.032 . 0 0 "[ . 1 . 2]" 1
620 1 63 GLU H 1 64 ALA H 5.280 . 5.280 4.486 4.287 4.611 . 0 0 "[ . 1 . 2]" 1
621 1 63 GLU H 1 80 LEU MD1 7.020 . 7.020 3.066 1.517 4.873 . 0 0 "[ . 1 . 2]" 1
622 1 63 GLU H 1 80 LEU MD2 7.020 . 7.020 4.463 2.253 6.058 . 0 0 "[ . 1 . 2]" 1
623 1 63 GLU H 1 83 ALA MB 7.020 . 7.020 4.698 1.817 5.878 . 0 0 "[ . 1 . 2]" 1
624 1 63 GLU HA 1 64 ALA H 3.410 . 3.410 2.377 2.166 2.502 . 0 0 "[ . 1 . 2]" 1
625 1 63 GLU QB 1 80 LEU QB 6.360 . 6.360 4.362 3.062 5.214 . 0 0 "[ . 1 . 2]" 1
626 1 63 GLU HB2 1 64 ALA H 6.000 . 6.000 3.492 2.251 4.183 . 0 0 "[ . 1 . 2]" 1
627 1 63 GLU HB2 1 80 LEU HB2 7.760 . 7.760 5.575 3.941 7.117 . 0 0 "[ . 1 . 2]" 1
628 1 63 GLU HB2 1 80 LEU HB3 7.760 . 7.760 5.915 4.133 7.243 . 0 0 "[ . 1 . 2]" 1
629 1 63 GLU HB2 1 80 LEU MD1 5.260 . 5.260 2.981 1.686 4.263 . 0 0 "[ . 1 . 2]" 1
630 1 63 GLU HB2 1 80 LEU MD2 7.020 . 7.020 3.959 1.560 5.916 . 0 0 "[ . 1 . 2]" 1
631 1 63 GLU HB2 1 80 LEU HG 6.000 . 6.000 4.839 3.426 6.076 0.076 16 0 "[ . 1 . 2]" 1
632 1 63 GLU HB3 1 64 ALA H 6.000 . 6.000 3.165 2.288 4.101 . 0 0 "[ . 1 . 2]" 1
633 1 63 GLU HB3 1 80 LEU HB2 7.760 . 7.760 5.654 3.186 7.562 . 0 0 "[ . 1 . 2]" 1
634 1 63 GLU HB3 1 80 LEU HB3 7.760 . 7.760 6.026 4.379 7.447 . 0 0 "[ . 1 . 2]" 1
635 1 63 GLU HB3 1 80 LEU MD1 5.260 . 5.260 3.012 1.522 4.284 . 0 0 "[ . 1 . 2]" 1
636 1 63 GLU HB3 1 80 LEU MD2 7.020 . 7.020 3.993 2.085 5.946 . 0 0 "[ . 1 . 2]" 1
637 1 63 GLU HB3 1 80 LEU HG 6.000 . 6.000 4.796 3.244 6.173 0.173 1 0 "[ . 1 . 2]" 1
638 1 63 GLU QG 1 64 ALA H 5.820 . 5.820 3.269 1.811 4.446 . 0 0 "[ . 1 . 2]" 1
639 1 63 GLU QG 1 80 LEU MD1 6.680 . 6.680 3.189 1.641 5.034 . 0 0 "[ . 1 . 2]" 1
640 1 63 GLU HG2 1 64 ALA H 6.000 . 6.000 3.982 2.282 4.933 . 0 0 "[ . 1 . 2]" 1
641 1 63 GLU HG2 1 80 LEU MD1 7.020 . 7.020 3.678 1.649 5.841 . 0 0 "[ . 1 . 2]" 1
642 1 63 GLU HG2 1 80 LEU MD2 7.020 . 7.020 4.550 1.918 5.799 . 0 0 "[ . 1 . 2]" 1
643 1 63 GLU HG3 1 64 ALA H 6.000 . 6.000 3.747 1.816 5.052 . 0 0 "[ . 1 . 2]" 1
644 1 63 GLU HG3 1 80 LEU MD1 7.020 . 7.020 3.737 1.855 5.497 . 0 0 "[ . 1 . 2]" 1
645 1 63 GLU HG3 1 80 LEU MD2 7.020 . 7.020 4.531 2.515 5.861 . 0 0 "[ . 1 . 2]" 1
646 1 64 ALA H 1 80 LEU MD1 7.020 . 7.020 4.017 2.695 4.851 . 0 0 "[ . 1 . 2]" 1
647 1 64 ALA HA 1 65 GLU H 3.440 . 3.440 2.211 2.122 2.409 . 0 0 "[ . 1 . 2]" 1
648 1 64 ALA HA 1 79 SER H 5.860 . 5.860 5.302 4.652 6.129 0.269 18 0 "[ . 1 . 2]" 1
649 1 64 ALA HA 1 80 LEU H 3.980 . 3.980 3.325 2.265 4.345 0.365 17 0 "[ . 1 . 2]" 1
650 1 64 ALA HA 1 80 LEU MD1 6.620 . 6.620 3.437 1.341 4.725 . 0 0 "[ . 1 . 2]" 1
651 1 64 ALA HA 1 80 LEU MD2 6.080 . 6.080 3.782 2.033 5.010 . 0 0 "[ . 1 . 2]" 1
652 1 64 ALA MB 1 65 GLU HA 7.020 . 7.020 4.121 3.882 4.253 . 0 0 "[ . 1 . 2]" 1
653 1 64 ALA MB 1 79 SER H 7.020 . 7.020 5.172 4.352 5.744 . 0 0 "[ . 1 . 2]" 1
654 1 64 ALA MB 1 80 LEU QB 7.900 . 7.900 5.316 4.487 5.928 . 0 0 "[ . 1 . 2]" 1
655 1 65 GLU H 1 66 LEU H 6.000 . 6.000 4.453 4.251 4.537 . 0 0 "[ . 1 . 2]" 1
656 1 65 GLU H 1 78 ARG H 5.530 . 5.530 4.792 3.948 5.572 0.042 2 0 "[ . 1 . 2]" 1
657 1 65 GLU H 1 79 SER H 5.530 . 5.530 4.424 3.716 4.905 . 0 0 "[ . 1 . 2]" 1
658 1 65 GLU H 1 79 SER HA 6.000 . 6.000 2.834 1.967 6.078 0.078 17 0 "[ . 1 . 2]" 1
659 1 65 GLU H 1 80 LEU HA 6.000 . 6.000 4.298 2.987 5.950 . 0 0 "[ . 1 . 2]" 1
660 1 65 GLU H 1 80 LEU QB 6.880 . 6.880 4.495 3.477 5.124 . 0 0 "[ . 1 . 2]" 1
661 1 65 GLU H 1 80 LEU MD1 7.020 . 7.020 3.754 1.876 5.189 . 0 0 "[ . 1 . 2]" 1
662 1 65 GLU H 1 80 LEU MD2 5.870 . 5.870 3.365 2.162 4.943 . 0 0 "[ . 1 . 2]" 1
663 1 65 GLU HA 1 80 LEU MD1 6.660 . 6.660 4.714 2.836 5.613 . 0 0 "[ . 1 . 2]" 1
664 1 65 GLU HA 1 80 LEU MD2 6.910 . 6.910 4.143 3.073 5.713 . 0 0 "[ . 1 . 2]" 1
665 1 65 GLU QB 1 66 LEU H 4.190 . 4.190 3.323 2.559 3.672 . 0 0 "[ . 1 . 2]" 1
666 1 65 GLU QB 1 80 LEU QB 7.760 . 7.760 4.059 3.254 4.896 . 0 0 "[ . 1 . 2]" 1
667 1 65 GLU QB 1 80 LEU MD1 5.870 . 5.870 3.244 1.741 4.124 . 0 0 "[ . 1 . 2]" 1
668 1 65 GLU QB 1 80 LEU MD2 5.560 . 5.560 2.258 1.182 3.924 . 0 0 "[ . 1 . 2]" 1
669 1 65 GLU QB 1 80 LEU HG 6.880 . 6.880 3.060 1.950 4.178 . 0 0 "[ . 1 . 2]" 1
670 1 65 GLU HB2 1 66 LEU H 4.520 . 4.520 4.124 2.683 4.413 . 0 0 "[ . 1 . 2]" 1
671 1 65 GLU HB2 1 79 SER H 6.000 . 6.000 5.832 4.247 6.195 0.195 4 0 "[ . 1 . 2]" 1
672 1 65 GLU HB2 1 80 LEU MD1 6.480 . 6.480 3.483 1.749 5.315 . 0 0 "[ . 1 . 2]" 1
673 1 65 GLU HB2 1 80 LEU MD2 6.010 . 6.010 2.450 1.183 5.038 . 0 0 "[ . 1 . 2]" 1
674 1 65 GLU HB3 1 66 LEU H 4.520 . 4.520 3.600 2.595 4.103 . 0 0 "[ . 1 . 2]" 1
675 1 65 GLU HB3 1 79 SER H 6.000 . 6.000 5.226 3.319 6.067 0.067 3 0 "[ . 1 . 2]" 1
676 1 65 GLU HB3 1 80 LEU MD1 6.480 . 6.480 4.433 1.805 5.563 . 0 0 "[ . 1 . 2]" 1
677 1 65 GLU HB3 1 80 LEU MD2 6.010 . 6.010 3.278 2.144 5.080 . 0 0 "[ . 1 . 2]" 1
678 1 65 GLU QG 1 66 LEU QB 7.760 . 7.760 4.961 3.768 5.784 . 0 0 "[ . 1 . 2]" 1
679 1 65 GLU HG2 1 66 LEU H 6.000 . 6.000 3.496 1.697 5.213 . 0 0 "[ . 1 . 2]" 1
680 1 65 GLU HG2 1 80 LEU MD1 7.020 . 7.020 4.649 2.289 5.826 . 0 0 "[ . 1 . 2]" 1
681 1 65 GLU HG2 1 80 LEU MD2 7.020 . 7.020 3.741 2.413 5.858 . 0 0 "[ . 1 . 2]" 1
682 1 65 GLU HG3 1 66 LEU H 6.000 . 6.000 4.107 2.530 4.946 . 0 0 "[ . 1 . 2]" 1
683 1 65 GLU HG3 1 80 LEU MD1 7.020 . 7.020 4.579 3.265 5.591 . 0 0 "[ . 1 . 2]" 1
684 1 65 GLU HG3 1 80 LEU MD2 7.020 . 7.020 3.655 2.174 5.979 . 0 0 "[ . 1 . 2]" 1
685 1 66 LEU HA 1 67 THR MG 7.020 . 7.020 3.772 3.376 4.081 . 0 0 "[ . 1 . 2]" 1
686 1 66 LEU HA 1 68 ALA H 3.880 . 3.880 3.846 3.573 4.018 0.138 6 0 "[ . 1 . 2]" 1
687 1 66 LEU HA 1 77 TRP HA 3.840 . 3.840 2.999 2.409 3.649 . 0 0 "[ . 1 . 2]" 1
688 1 66 LEU HA 1 77 TRP HB2 6.000 . 6.000 4.959 3.937 6.015 0.015 6 0 "[ . 1 . 2]" 1
689 1 66 LEU HA 1 77 TRP HB3 6.000 . 6.000 5.050 4.198 6.032 0.032 2 0 "[ . 1 . 2]" 1
690 1 66 LEU HA 1 78 ARG H 5.170 . 5.170 2.716 1.864 3.027 . 0 0 "[ . 1 . 2]" 1
691 1 66 LEU HA 1 79 SER HA 6.000 . 6.000 5.927 5.130 6.315 0.315 11 0 "[ . 1 . 2]" 1
692 1 66 LEU QB 1 68 ALA H 4.470 . 4.470 3.343 2.431 4.179 . 0 0 "[ . 1 . 2]" 1
693 1 66 LEU QB 1 77 TRP QB 7.760 . 7.760 4.864 3.977 6.003 . 0 0 "[ . 1 . 2]" 1
694 1 66 LEU HB2 1 67 THR H 6.000 . 6.000 4.192 3.920 4.402 . 0 0 "[ . 1 . 2]" 1
695 1 66 LEU HB2 1 67 THR MG 7.020 . 7.020 5.610 5.372 5.749 . 0 0 "[ . 1 . 2]" 1
696 1 66 LEU HB2 1 68 ALA H 5.060 . 5.060 4.533 3.649 5.023 . 0 0 "[ . 1 . 2]" 1
697 1 66 LEU HB3 1 67 THR H 6.000 . 6.000 3.482 2.756 4.249 . 0 0 "[ . 1 . 2]" 1
698 1 66 LEU HB3 1 67 THR MG 7.020 . 7.020 4.912 4.163 5.689 . 0 0 "[ . 1 . 2]" 1
699 1 66 LEU HB3 1 68 ALA H 5.060 . 5.060 3.476 2.468 4.471 . 0 0 "[ . 1 . 2]" 1
700 1 66 LEU MD1 1 67 THR H 5.830 . 5.830 3.194 2.364 4.343 . 0 0 "[ . 1 . 2]" 1
701 1 66 LEU MD1 1 68 ALA H 7.020 . 7.020 3.887 2.742 5.279 . 0 0 "[ . 1 . 2]" 1
702 1 66 LEU MD1 1 77 TRP HA 5.620 . 5.620 1.956 1.292 2.919 . 0 0 "[ . 1 . 2]" 1
703 1 66 LEU MD1 1 77 TRP HB2 5.650 . 5.650 3.254 2.033 4.469 . 0 0 "[ . 1 . 2]" 1
704 1 66 LEU MD1 1 77 TRP QB 5.510 . 5.510 2.690 1.827 3.615 . 0 0 "[ . 1 . 2]" 1
705 1 66 LEU MD1 1 77 TRP HB3 5.650 . 5.650 2.974 1.914 4.175 . 0 0 "[ . 1 . 2]" 1
706 1 66 LEU MD1 1 78 ARG H 5.760 . 5.760 2.644 2.081 3.303 . 0 0 "[ . 1 . 2]" 1
707 1 66 LEU MD1 1 78 ARG HG2 7.020 . 7.020 5.155 4.068 5.962 . 0 0 "[ . 1 . 2]" 1
708 1 66 LEU MD1 1 78 ARG HG3 7.020 . 7.020 5.310 3.979 5.822 . 0 0 "[ . 1 . 2]" 1
709 1 66 LEU MD2 1 67 THR H 7.020 . 7.020 4.669 4.047 5.011 . 0 0 "[ . 1 . 2]" 1
710 1 66 LEU MD2 1 68 ALA H 7.020 . 7.020 4.636 3.286 5.716 . 0 0 "[ . 1 . 2]" 1
711 1 66 LEU MD2 1 77 TRP QB 7.900 . 7.900 4.589 2.801 5.736 . 0 0 "[ . 1 . 2]" 1
712 1 67 THR H 1 68 ALA H 3.050 . 3.050 2.297 1.964 2.501 . 0 0 "[ . 1 . 2]" 1
713 1 67 THR H 1 68 ALA MB 6.950 . 6.950 4.304 4.044 4.669 . 0 0 "[ . 1 . 2]" 1
714 1 67 THR H 1 76 ALA H 6.000 . 6.000 4.847 4.479 5.284 . 0 0 "[ . 1 . 2]" 1
715 1 67 THR H 1 76 ALA MB 6.010 . 6.010 3.964 3.321 4.673 . 0 0 "[ . 1 . 2]" 1
716 1 67 THR H 1 77 TRP HA 3.590 . 3.590 3.410 2.773 3.719 0.129 4 0 "[ . 1 . 2]" 1
717 1 67 THR H 1 77 TRP HB2 6.000 . 6.000 5.734 5.018 6.138 0.138 6 0 "[ . 1 . 2]" 1
718 1 67 THR H 1 77 TRP HB3 6.000 . 6.000 5.700 5.016 6.186 0.186 8 0 "[ . 1 . 2]" 1
719 1 67 THR H 1 78 ARG H 5.780 . 5.780 3.616 2.237 4.184 . 0 0 "[ . 1 . 2]" 1
720 1 67 THR HA 1 78 ARG QB 6.880 . 6.880 4.687 3.388 6.001 . 0 0 "[ . 1 . 2]" 1
721 1 67 THR HB 1 68 ALA H 5.030 . 5.030 4.089 3.623 4.305 . 0 0 "[ . 1 . 2]" 1
722 1 67 THR HB 1 76 ALA MB 7.020 . 7.020 4.457 3.606 5.695 . 0 0 "[ . 1 . 2]" 1
723 1 67 THR MG 1 68 ALA H 4.530 . 4.530 2.895 2.289 3.957 . 0 0 "[ . 1 . 2]" 1
724 1 67 THR MG 1 76 ALA HA 7.020 . 7.020 4.599 3.849 5.823 . 0 0 "[ . 1 . 2]" 1
725 1 67 THR MG 1 77 TRP HA 6.950 . 6.950 3.949 3.048 4.905 . 0 0 "[ . 1 . 2]" 1
726 1 67 THR MG 1 78 ARG H 5.970 . 5.970 4.049 2.613 4.720 . 0 0 "[ . 1 . 2]" 1
727 1 67 THR MG 1 78 ARG HB2 7.020 . 7.020 3.121 1.635 4.773 . 0 0 "[ . 1 . 2]" 1
728 1 67 THR MG 1 78 ARG QB 6.510 . 6.510 2.763 1.628 4.457 . 0 0 "[ . 1 . 2]" 1
729 1 67 THR MG 1 78 ARG HB3 7.020 . 7.020 3.608 2.283 5.486 . 0 0 "[ . 1 . 2]" 1
730 1 67 THR MG 1 78 ARG HD2 6.370 . 6.370 3.964 1.842 4.974 . 0 0 "[ . 1 . 2]" 1
731 1 67 THR MG 1 78 ARG QD 5.900 . 5.900 3.291 1.832 4.376 . 0 0 "[ . 1 . 2]" 1
732 1 67 THR MG 1 78 ARG HD3 6.370 . 6.370 3.824 2.507 5.141 . 0 0 "[ . 1 . 2]" 1
733 1 67 THR MG 1 78 ARG HG2 7.020 . 7.020 3.307 2.055 5.241 . 0 0 "[ . 1 . 2]" 1
734 1 67 THR MG 1 78 ARG HG3 7.020 . 7.020 3.624 1.946 5.043 . 0 0 "[ . 1 . 2]" 1
735 1 68 ALA H 1 68 ALA MB 3.530 . 3.530 2.633 2.461 2.898 . 0 0 "[ . 1 . 2]" 1
736 1 68 ALA H 1 69 ASP H 4.560 . 4.560 4.220 3.966 4.431 . 0 0 "[ . 1 . 2]" 1
737 1 68 ALA H 1 76 ALA H 3.550 . 3.550 3.300 2.812 3.616 0.066 5 0 "[ . 1 . 2]" 1
738 1 68 ALA H 1 76 ALA HA 5.390 . 5.390 5.186 4.693 5.478 0.088 16 0 "[ . 1 . 2]" 1
739 1 68 ALA H 1 76 ALA MB 5.150 . 5.150 3.246 2.235 3.863 . 0 0 "[ . 1 . 2]" 1
740 1 68 ALA H 1 77 TRP HA 5.280 . 5.280 4.428 3.757 5.083 . 0 0 "[ . 1 . 2]" 1
741 1 68 ALA HA 1 69 ASP H 2.870 . 2.870 2.142 2.098 2.373 . 0 0 "[ . 1 . 2]" 1
742 1 68 ALA HA 1 76 ALA MB 7.020 . 7.020 4.484 4.016 5.255 . 0 0 "[ . 1 . 2]" 1
743 1 68 ALA MB 1 69 ASP H 3.670 . 3.670 3.003 2.545 3.115 . 0 0 "[ . 1 . 2]" 1
744 1 68 ALA MB 1 69 ASP HA 6.770 . 6.770 4.044 3.834 4.183 . 0 0 "[ . 1 . 2]" 1
745 1 68 ALA MB 1 70 GLU H 6.690 . 6.690 3.663 2.893 4.659 . 0 0 "[ . 1 . 2]" 1
746 1 68 ALA MB 1 70 GLU HG2 6.230 . 6.230 3.767 2.654 4.991 . 0 0 "[ . 1 . 2]" 1
747 1 68 ALA MB 1 70 GLU HG3 6.230 . 6.230 3.819 2.638 4.840 . 0 0 "[ . 1 . 2]" 1
748 1 68 ALA MB 1 74 ARG QD 5.810 . 5.810 3.761 2.788 4.325 . 0 0 "[ . 1 . 2]" 1
749 1 68 ALA MB 1 74 ARG HG2 7.020 . 7.020 3.601 2.557 4.506 . 0 0 "[ . 1 . 2]" 1
750 1 68 ALA MB 1 74 ARG HG3 7.020 . 7.020 3.284 2.030 4.849 . 0 0 "[ . 1 . 2]" 1
751 1 68 ALA MB 1 76 ALA H 5.290 . 5.290 1.958 1.228 3.652 . 0 0 "[ . 1 . 2]" 1
752 1 69 ASP H 1 69 ASP HB2 4.020 . 4.020 3.526 2.657 3.966 . 0 0 "[ . 1 . 2]" 1
753 1 69 ASP H 1 69 ASP QB 3.780 . 3.780 2.861 2.471 3.190 . 0 0 "[ . 1 . 2]" 1
754 1 69 ASP H 1 69 ASP HB3 4.020 . 4.020 3.072 2.590 3.788 . 0 0 "[ . 1 . 2]" 1
755 1 69 ASP H 1 70 GLU H 5.060 . 5.060 3.115 1.924 3.962 . 0 0 "[ . 1 . 2]" 1
756 1 69 ASP H 1 70 GLU QG 5.800 . 5.800 3.282 2.604 3.811 . 0 0 "[ . 1 . 2]" 1
757 1 69 ASP H 1 76 ALA H 5.780 . 5.780 5.037 4.571 5.501 . 0 0 "[ . 1 . 2]" 1
758 1 69 ASP HA 1 70 GLU H 3.230 . 3.230 2.523 2.097 3.135 . 0 0 "[ . 1 . 2]" 1
759 1 69 ASP HA 1 75 ILE MG 6.980 . 6.980 3.449 2.673 4.197 . 0 0 "[ . 1 . 2]" 1
760 1 69 ASP HB2 1 70 GLU H 5.640 . 5.640 4.423 3.624 4.577 . 0 0 "[ . 1 . 2]" 1
761 1 69 ASP HB3 1 70 GLU H 5.640 . 5.640 4.466 3.964 4.659 . 0 0 "[ . 1 . 2]" 1
762 1 70 GLU H 1 74 ARG H 3.880 . 3.880 3.770 3.022 4.012 0.132 10 0 "[ . 1 . 2]" 1
763 1 70 GLU H 1 75 ILE HA 4.920 . 4.920 3.558 3.018 4.046 . 0 0 "[ . 1 . 2]" 1
764 1 70 GLU H 1 75 ILE QG 6.880 . 6.880 3.404 2.107 5.882 . 0 0 "[ . 1 . 2]" 1
765 1 70 GLU H 1 75 ILE MG 7.020 . 7.020 4.535 2.871 5.170 . 0 0 "[ . 1 . 2]" 1
766 1 70 GLU QB 1 72 GLY QA 7.110 . 7.110 4.736 4.081 5.468 . 0 0 "[ . 1 . 2]" 1
767 1 70 GLU QB 1 73 LYS H 6.090 . 6.090 2.879 2.305 3.589 . 0 0 "[ . 1 . 2]" 1
768 1 70 GLU QB 1 73 LYS QB 6.120 . 6.120 1.857 1.322 2.317 . 0 0 "[ . 1 . 2]" 1
769 1 70 GLU HB2 1 73 LYS HB2 7.290 . 7.290 2.853 1.796 4.181 . 0 0 "[ . 1 . 2]" 1
770 1 70 GLU HB2 1 73 LYS HB3 7.290 . 7.290 3.134 1.687 4.137 . 0 0 "[ . 1 . 2]" 1
771 1 70 GLU HB2 1 74 ARG H 3.620 . 3.620 1.883 1.597 2.362 . 0 0 "[ . 1 . 2]" 1
772 1 70 GLU HB3 1 73 LYS HB2 7.290 . 7.290 2.554 1.335 3.410 . 0 0 "[ . 1 . 2]" 1
773 1 70 GLU HB3 1 73 LYS HB3 7.290 . 7.290 3.045 1.551 4.170 . 0 0 "[ . 1 . 2]" 1
774 1 70 GLU HB3 1 74 ARG H 3.620 . 3.620 3.148 2.659 3.679 0.059 6 0 "[ . 1 . 2]" 1
775 1 70 GLU QG 1 74 ARG H 5.410 . 5.410 3.305 2.346 4.298 . 0 0 "[ . 1 . 2]" 1
776 1 70 GLU QG 1 74 ARG QG 7.000 . 7.000 3.157 1.319 5.205 . 0 0 "[ . 1 . 2]" 1
777 1 70 GLU HG2 1 74 ARG H 5.960 . 5.960 4.112 3.109 5.351 . 0 0 "[ . 1 . 2]" 1
778 1 70 GLU HG3 1 74 ARG H 5.960 . 5.960 3.533 2.427 4.545 . 0 0 "[ . 1 . 2]" 1
779 1 72 GLY QA 1 93 PHE QD 8.760 . 8.760 3.338 2.399 5.113 . 0 0 "[ . 1 . 2]" 1
780 1 73 LYS H 1 73 LYS HB2 3.950 . 3.950 2.860 2.425 3.350 . 0 0 "[ . 1 . 2]" 1
781 1 73 LYS H 1 73 LYS QB 3.740 . 3.740 2.612 2.385 2.827 . 0 0 "[ . 1 . 2]" 1
782 1 73 LYS H 1 73 LYS HB3 3.950 . 3.950 3.384 2.534 3.921 . 0 0 "[ . 1 . 2]" 1
783 1 73 LYS H 1 73 LYS HG2 4.990 . 4.990 4.008 2.707 5.043 0.053 17 0 "[ . 1 . 2]" 1
784 1 73 LYS H 1 73 LYS QG 4.840 . 4.840 3.424 2.483 4.258 . 0 0 "[ . 1 . 2]" 1
785 1 73 LYS H 1 73 LYS HG3 4.990 . 4.990 3.988 2.518 4.865 . 0 0 "[ . 1 . 2]" 1
786 1 73 LYS H 1 74 ARG H 2.900 . 2.900 2.537 2.081 2.856 . 0 0 "[ . 1 . 2]" 1
787 1 73 LYS H 1 93 PHE QD 8.090 . 8.090 3.531 2.125 5.503 . 0 0 "[ . 1 . 2]" 1
788 1 73 LYS HA 1 73 LYS HE2 6.000 . 6.000 4.721 1.621 6.142 0.142 11 0 "[ . 1 . 2]" 1
789 1 73 LYS HA 1 73 LYS HE3 6.000 . 6.000 4.784 2.735 6.044 0.044 6 0 "[ . 1 . 2]" 1
790 1 73 LYS HA 1 73 LYS HG2 4.240 . 4.240 2.858 2.400 3.699 . 0 0 "[ . 1 . 2]" 1
791 1 73 LYS HA 1 73 LYS HG3 4.240 . 4.240 3.133 2.396 3.827 . 0 0 "[ . 1 . 2]" 1
792 1 73 LYS HA 1 93 PHE QB 6.230 . 6.230 3.323 2.527 3.938 . 0 0 "[ . 1 . 2]" 1
793 1 73 LYS HB2 1 74 ARG H 3.980 . 3.980 2.645 1.832 3.798 . 0 0 "[ . 1 . 2]" 1
794 1 73 LYS HB3 1 74 ARG H 3.980 . 3.980 2.626 1.882 3.223 . 0 0 "[ . 1 . 2]" 1
795 1 73 LYS QG 1 74 ARG H 5.860 . 5.860 3.603 2.490 3.991 . 0 0 "[ . 1 . 2]" 1
796 1 73 LYS HG2 1 74 ARG H 6.000 . 6.000 4.085 2.522 4.780 . 0 0 "[ . 1 . 2]" 1
797 1 73 LYS HG3 1 74 ARG H 6.000 . 6.000 4.224 3.520 4.659 . 0 0 "[ . 1 . 2]" 1
798 1 74 ARG HA 1 75 ILE H 3.160 . 3.160 2.182 2.079 2.285 . 0 0 "[ . 1 . 2]" 1
799 1 74 ARG HA 1 92 LEU MD1 4.900 . 4.900 3.362 2.507 3.988 . 0 0 "[ . 1 . 2]" 1
800 1 74 ARG QB 1 92 LEU MD1 5.450 . 5.450 2.438 1.732 3.779 . 0 0 "[ . 1 . 2]" 1
801 1 74 ARG HB2 1 75 ILE H 6.000 . 6.000 3.302 2.667 4.295 . 0 0 "[ . 1 . 2]" 1
802 1 74 ARG HB2 1 92 LEU HB2 6.000 . 6.000 4.994 3.093 6.054 0.054 7 0 "[ . 1 . 2]" 1
803 1 74 ARG HB2 1 92 LEU HB3 6.000 . 6.000 4.491 2.065 5.607 . 0 0 "[ . 1 . 2]" 1
804 1 74 ARG HB3 1 75 ILE H 6.000 . 6.000 4.174 3.917 4.447 . 0 0 "[ . 1 . 2]" 1
805 1 74 ARG HB3 1 92 LEU HB2 6.000 . 6.000 5.445 4.589 6.231 0.231 12 0 "[ . 1 . 2]" 1
806 1 74 ARG HB3 1 92 LEU HB3 6.000 . 6.000 4.512 3.674 5.400 . 0 0 "[ . 1 . 2]" 1
807 1 74 ARG QD 1 92 LEU MD1 5.000 . 5.000 2.934 2.565 3.323 . 0 0 "[ . 1 . 2]" 1
808 1 74 ARG QD 1 92 LEU MD2 6.490 . 6.490 3.951 2.382 4.860 . 0 0 "[ . 1 . 2]" 1
809 1 74 ARG HD2 1 92 LEU MD1 5.620 . 5.620 3.429 2.714 4.525 . 0 0 "[ . 1 . 2]" 1
810 1 74 ARG HD3 1 92 LEU MD1 5.620 . 5.620 3.439 2.905 4.564 . 0 0 "[ . 1 . 2]" 1
811 1 74 ARG QG 1 75 ILE H 4.770 . 4.770 3.552 2.828 4.044 . 0 0 "[ . 1 . 2]" 1
812 1 74 ARG QG 1 90 GLU QG 6.210 . 6.210 3.920 2.401 5.035 . 0 0 "[ . 1 . 2]" 1
813 1 74 ARG QG 1 92 LEU MD1 5.330 . 5.330 3.395 1.963 3.903 . 0 0 "[ . 1 . 2]" 1
814 1 74 ARG HG2 1 75 ILE H 4.920 . 4.920 4.392 3.086 4.984 0.064 18 0 "[ . 1 . 2]" 1
815 1 74 ARG HG2 1 76 ALA MB 7.020 . 7.020 4.897 2.718 5.784 . 0 0 "[ . 1 . 2]" 1
816 1 74 ARG HG2 1 92 LEU MD1 5.800 . 5.800 4.263 3.491 4.709 . 0 0 "[ . 1 . 2]" 1
817 1 74 ARG HG3 1 75 ILE H 4.920 . 4.920 3.817 3.230 4.816 . 0 0 "[ . 1 . 2]" 1
818 1 74 ARG HG3 1 76 ALA MB 7.020 . 7.020 4.060 3.091 4.840 . 0 0 "[ . 1 . 2]" 1
819 1 74 ARG HG3 1 92 LEU MD1 5.800 . 5.800 3.659 1.974 4.290 . 0 0 "[ . 1 . 2]" 1
820 1 75 ILE H 1 91 VAL H 4.130 . 4.130 3.110 2.513 3.616 . 0 0 "[ . 1 . 2]" 1
821 1 75 ILE H 1 91 VAL MG2 6.730 . 6.730 3.390 2.109 4.971 . 0 0 "[ . 1 . 2]" 1
822 1 75 ILE H 1 92 LEU MD1 6.340 . 6.340 3.873 2.981 4.448 . 0 0 "[ . 1 . 2]" 1
823 1 75 ILE HA 1 76 ALA H 3.260 . 3.260 2.135 2.068 2.203 . 0 0 "[ . 1 . 2]" 1
824 1 75 ILE HA 1 91 VAL MG1 7.020 . 7.020 5.359 3.698 5.941 . 0 0 "[ . 1 . 2]" 1
825 1 75 ILE HB 1 76 ALA H 5.500 . 5.500 4.303 3.503 4.469 . 0 0 "[ . 1 . 2]" 1
826 1 75 ILE HB 1 91 VAL MG1 7.020 . 7.020 3.417 1.419 4.822 . 0 0 "[ . 1 . 2]" 1
827 1 75 ILE HB 1 91 VAL MG2 5.220 . 5.220 3.159 1.688 4.365 . 0 0 "[ . 1 . 2]" 1
828 1 75 ILE MD 1 76 ALA H 7.020 . 7.020 4.799 3.832 5.350 . 0 0 "[ . 1 . 2]" 1
829 1 75 ILE MD 1 91 VAL HB 6.700 . 6.700 4.916 2.107 5.865 . 0 0 "[ . 1 . 2]" 1
830 1 75 ILE MD 1 91 VAL MG2 8.040 . 8.040 3.729 2.631 5.368 . 0 0 "[ . 1 . 2]" 1
831 1 75 ILE MD 1 93 PHE QB 7.000 . 7.000 4.608 4.086 5.128 . 0 0 "[ . 1 . 2]" 1
832 1 75 ILE MD 1 93 PHE QD 8.280 . 8.280 3.165 2.387 4.477 . 0 0 "[ . 1 . 2]" 1
833 1 75 ILE HG12 1 76 ALA H 6.000 . 6.000 5.185 4.441 5.487 . 0 0 "[ . 1 . 2]" 1
834 1 75 ILE HG12 1 93 PHE QD 8.130 . 8.130 4.951 2.623 6.479 . 0 0 "[ . 1 . 2]" 1
835 1 75 ILE HG13 1 76 ALA H 6.000 . 6.000 4.661 4.145 5.779 . 0 0 "[ . 1 . 2]" 1
836 1 75 ILE HG13 1 93 PHE QD 8.130 . 8.130 4.946 2.690 6.951 . 0 0 "[ . 1 . 2]" 1
837 1 75 ILE MG 1 76 ALA H 7.020 . 7.020 2.992 2.627 3.375 . 0 0 "[ . 1 . 2]" 1
838 1 75 ILE MG 1 91 VAL H 7.020 . 7.020 4.146 3.646 5.549 . 0 0 "[ . 1 . 2]" 1
839 1 75 ILE MG 1 91 VAL MG2 8.040 . 8.040 3.887 2.716 5.160 . 0 0 "[ . 1 . 2]" 1
840 1 76 ALA H 1 91 VAL H 6.000 . 6.000 4.702 4.386 5.070 . 0 0 "[ . 1 . 2]" 1
841 1 76 ALA HA 1 77 TRP H 3.440 . 3.440 2.147 2.102 2.300 . 0 0 "[ . 1 . 2]" 1
842 1 76 ALA HA 1 90 GLU QG 6.880 . 6.880 3.497 2.182 4.652 . 0 0 "[ . 1 . 2]" 1
843 1 76 ALA HA 1 91 VAL H 4.810 . 4.810 3.263 2.485 3.987 . 0 0 "[ . 1 . 2]" 1
844 1 76 ALA MB 1 77 TRP H 3.850 . 3.850 3.133 2.617 3.255 . 0 0 "[ . 1 . 2]" 1
845 1 76 ALA MB 1 90 GLU HA 4.500 . 4.500 3.012 2.175 3.785 . 0 0 "[ . 1 . 2]" 1
846 1 76 ALA MB 1 90 GLU HB2 5.650 . 5.650 2.695 2.134 3.633 . 0 0 "[ . 1 . 2]" 1
847 1 76 ALA MB 1 90 GLU QB 5.280 . 5.280 2.525 1.977 3.500 . 0 0 "[ . 1 . 2]" 1
848 1 76 ALA MB 1 90 GLU HB3 5.650 . 5.650 3.478 2.059 4.570 . 0 0 "[ . 1 . 2]" 1
849 1 76 ALA MB 1 90 GLU QG 5.590 . 5.590 2.407 1.613 3.863 . 0 0 "[ . 1 . 2]" 1
850 1 76 ALA MB 1 91 VAL H 6.770 . 6.770 4.032 3.341 4.779 . 0 0 "[ . 1 . 2]" 1
851 1 77 TRP H 1 77 TRP HD1 5.420 . 5.420 3.442 1.709 4.958 . 0 0 "[ . 1 . 2]" 1
852 1 77 TRP H 1 89 GLY H 4.630 . 4.630 4.144 3.147 4.725 0.095 17 0 "[ . 1 . 2]" 1
853 1 77 TRP H 1 90 GLU HA 4.450 . 4.450 3.474 2.627 4.077 . 0 0 "[ . 1 . 2]" 1
854 1 77 TRP HA 1 78 ARG H 3.440 . 3.440 2.207 2.039 2.344 . 0 0 "[ . 1 . 2]" 1
855 1 77 TRP QB 1 78 ARG H 3.770 . 3.770 2.825 2.411 3.462 . 0 0 "[ . 1 . 2]" 1
856 1 77 TRP HB2 1 78 ARG H 3.950 . 3.950 3.185 2.445 4.022 0.072 2 0 "[ . 1 . 2]" 1
857 1 77 TRP HB3 1 78 ARG H 3.950 . 3.950 3.641 2.488 4.245 0.295 16 0 "[ . 1 . 2]" 1
858 1 78 ARG HA 1 79 SER H 3.300 . 3.300 2.502 2.114 2.584 . 0 0 "[ . 1 . 2]" 1
859 1 78 ARG HB2 1 79 SER H 6.000 . 6.000 3.432 2.194 4.557 . 0 0 "[ . 1 . 2]" 1
860 1 78 ARG HB3 1 79 SER H 6.000 . 6.000 3.006 2.033 3.759 . 0 0 "[ . 1 . 2]" 1
861 1 78 ARG HG2 1 79 SER H 6.000 . 6.000 3.886 1.666 4.880 . 0 0 "[ . 1 . 2]" 1
862 1 78 ARG HG3 1 79 SER H 6.000 . 6.000 3.477 1.528 5.020 . 0 0 "[ . 1 . 2]" 1
863 1 79 SER H 1 83 ALA MB 7.020 . 7.020 5.184 4.038 5.755 . 0 0 "[ . 1 . 2]" 1
864 1 80 LEU H 1 80 LEU MD1 5.690 . 5.690 3.424 1.437 4.520 . 0 0 "[ . 1 . 2]" 1
865 1 80 LEU HA 1 80 LEU MD2 4.100 . 4.100 2.428 1.884 3.582 . 0 0 "[ . 1 . 2]" 1
866 1 80 LEU QB 1 81 PRO QD 6.830 . 6.830 2.284 1.969 2.554 . 0 0 "[ . 1 . 2]" 1
867 1 80 LEU QB 1 81 PRO QG 6.350 . 6.350 4.061 3.480 4.384 . 0 0 "[ . 1 . 2]" 1
868 1 80 LEU QB 1 82 GLY QA 5.160 . 5.160 3.869 3.376 4.200 . 0 0 "[ . 1 . 2]" 1
869 1 80 LEU HB2 1 81 PRO HD2 7.780 . 7.780 3.858 3.396 4.235 . 0 0 "[ . 1 . 2]" 1
870 1 80 LEU HB2 1 81 PRO HD3 7.780 . 7.780 4.431 4.116 4.923 . 0 0 "[ . 1 . 2]" 1
871 1 80 LEU HB2 1 81 PRO HG2 7.760 . 7.760 5.948 5.114 6.470 . 0 0 "[ . 1 . 2]" 1
872 1 80 LEU HB2 1 81 PRO HG3 7.760 . 7.760 6.201 5.858 6.446 . 0 0 "[ . 1 . 2]" 1
873 1 80 LEU HB2 1 82 GLY HA2 6.360 . 6.360 5.686 5.082 6.408 0.048 7 0 "[ . 1 . 2]" 1
874 1 80 LEU HB2 1 82 GLY HA3 6.360 . 6.360 4.656 3.969 5.338 . 0 0 "[ . 1 . 2]" 1
875 1 80 LEU HB3 1 81 PRO HD2 7.780 . 7.780 2.373 2.014 2.712 . 0 0 "[ . 1 . 2]" 1
876 1 80 LEU HB3 1 81 PRO HD3 7.780 . 7.780 3.272 2.904 3.779 . 0 0 "[ . 1 . 2]" 1
877 1 80 LEU HB3 1 81 PRO HG2 7.760 . 7.760 4.532 3.702 5.019 . 0 0 "[ . 1 . 2]" 1
878 1 80 LEU HB3 1 81 PRO HG3 7.760 . 7.760 5.019 4.644 5.323 . 0 0 "[ . 1 . 2]" 1
879 1 80 LEU HB3 1 82 GLY HA2 6.360 . 6.360 5.551 5.005 6.211 . 0 0 "[ . 1 . 2]" 1
880 1 80 LEU HB3 1 82 GLY HA3 6.360 . 6.360 4.491 3.829 5.292 . 0 0 "[ . 1 . 2]" 1
881 1 80 LEU MD1 1 81 PRO QD 7.510 . 7.510 3.938 3.482 4.395 . 0 0 "[ . 1 . 2]" 1
882 1 80 LEU MD2 1 81 PRO QD 5.350 . 5.350 2.851 2.138 3.326 . 0 0 "[ . 1 . 2]" 1
883 1 80 LEU MD2 1 81 PRO HG2 7.020 . 7.020 4.831 3.902 5.485 . 0 0 "[ . 1 . 2]" 1
884 1 80 LEU MD2 1 81 PRO HG3 7.020 . 7.020 5.076 4.178 5.767 . 0 0 "[ . 1 . 2]" 1
885 1 80 LEU HG 1 81 PRO QD 6.890 . 6.890 4.118 2.664 4.765 . 0 0 "[ . 1 . 2]" 1
886 1 81 PRO QB 1 82 GLY H 4.120 . 4.120 3.034 2.485 3.642 . 0 0 "[ . 1 . 2]" 1
887 1 81 PRO HB2 1 82 GLY H 4.490 . 4.490 3.125 2.513 3.856 . 0 0 "[ . 1 . 2]" 1
888 1 81 PRO HB3 1 82 GLY H 4.490 . 4.490 4.214 3.904 4.548 0.058 15 0 "[ . 1 . 2]" 1
889 1 82 GLY H 1 83 ALA H 3.230 . 3.230 2.530 2.030 3.001 . 0 0 "[ . 1 . 2]" 1
890 1 83 ALA MB 1 84 ARG HA 5.830 . 5.830 4.102 3.722 4.394 . 0 0 "[ . 1 . 2]" 1
891 1 83 ALA MB 1 84 ARG QD 6.640 . 6.640 4.359 3.371 4.941 . 0 0 "[ . 1 . 2]" 1
892 1 83 ALA MB 1 84 ARG QG 7.290 . 7.290 4.427 2.801 5.399 . 0 0 "[ . 1 . 2]" 1
893 1 87 ASN HA 1 88 SER H 3.370 . 3.370 2.285 2.129 2.549 . 0 0 "[ . 1 . 2]" 1
894 1 87 ASN QB 1 88 SER H 4.250 . 4.250 3.320 2.245 3.747 . 0 0 "[ . 1 . 2]" 1
895 1 87 ASN HB2 1 88 SER H 4.740 . 4.740 3.942 2.265 4.351 . 0 0 "[ . 1 . 2]" 1
896 1 87 ASN HB3 1 88 SER H 4.740 . 4.740 3.701 2.358 4.184 . 0 0 "[ . 1 . 2]" 1
897 1 88 SER H 1 108 LEU HA 6.000 . 6.000 4.771 3.308 5.759 . 0 0 "[ . 1 . 2]" 1
898 1 88 SER H 1 109 THR H 4.270 . 4.270 3.625 2.234 4.331 0.061 10 0 "[ . 1 . 2]" 1
899 1 90 GLU HB2 1 91 VAL H 5.350 . 5.350 3.902 2.544 4.415 . 0 0 "[ . 1 . 2]" 1
900 1 90 GLU HB3 1 91 VAL H 5.350 . 5.350 4.161 3.788 4.375 . 0 0 "[ . 1 . 2]" 1
901 1 90 GLU QG 1 91 VAL H 5.410 . 5.410 3.229 2.599 4.277 . 0 0 "[ . 1 . 2]" 1
902 1 90 GLU QG 1 92 LEU MD2 7.900 . 7.900 3.737 2.071 4.883 . 0 0 "[ . 1 . 2]" 1
903 1 90 GLU HG2 1 91 VAL H 5.570 . 5.570 3.575 2.814 4.949 . 0 0 "[ . 1 . 2]" 1
904 1 90 GLU HG2 1 92 LEU MD1 4.970 . 4.970 2.626 1.963 4.186 . 0 0 "[ . 1 . 2]" 1
905 1 90 GLU HG3 1 91 VAL H 5.570 . 5.570 3.742 2.918 5.370 . 0 0 "[ . 1 . 2]" 1
906 1 90 GLU HG3 1 92 LEU MD1 4.970 . 4.970 3.346 2.676 3.980 . 0 0 "[ . 1 . 2]" 1
907 1 91 VAL H 1 91 VAL HB 3.770 . 3.770 3.247 2.507 3.831 0.061 20 0 "[ . 1 . 2]" 1
908 1 91 VAL HA 1 92 LEU H 3.480 . 3.480 2.140 2.071 2.229 . 0 0 "[ . 1 . 2]" 1
909 1 91 VAL HB 1 92 LEU H 6.000 . 6.000 3.733 3.000 4.296 . 0 0 "[ . 1 . 2]" 1
910 1 91 VAL HB 1 104 VAL HA 6.000 . 6.000 5.497 4.622 6.246 0.246 16 0 "[ . 1 . 2]" 1
911 1 91 VAL HB 1 106 VAL HA 6.000 . 6.000 4.161 3.092 6.000 0.000 19 0 "[ . 1 . 2]" 1
912 1 91 VAL HB 1 106 VAL MG2 6.950 . 6.950 3.998 2.007 5.964 . 0 0 "[ . 1 . 2]" 1
913 1 91 VAL MG1 1 92 LEU H 5.220 . 5.220 3.669 2.447 4.223 . 0 0 "[ . 1 . 2]" 1
914 1 91 VAL MG1 1 104 VAL HA 7.020 . 7.020 4.989 3.095 5.924 . 0 0 "[ . 1 . 2]" 1
915 1 91 VAL MG1 1 104 VAL MG2 7.890 . 7.890 3.294 1.605 5.064 . 0 0 "[ . 1 . 2]" 1
916 1 91 VAL MG1 1 106 VAL HA 7.020 . 7.020 3.565 2.273 5.218 . 0 0 "[ . 1 . 2]" 1
917 1 91 VAL MG1 1 106 VAL HB 7.020 . 7.020 4.396 2.238 5.928 . 0 0 "[ . 1 . 2]" 1
918 1 91 VAL MG1 1 106 VAL MG2 7.640 . 7.640 3.271 1.804 5.364 . 0 0 "[ . 1 . 2]" 1
919 1 91 VAL MG2 1 92 LEU H 4.570 . 4.570 3.532 2.427 3.944 . 0 0 "[ . 1 . 2]" 1
920 1 91 VAL MG2 1 93 PHE QD 9.150 . 9.150 4.093 2.678 5.674 . 0 0 "[ . 1 . 2]" 1
921 1 91 VAL MG2 1 104 VAL HA 7.020 . 7.020 4.786 3.078 5.666 . 0 0 "[ . 1 . 2]" 1
922 1 91 VAL MG2 1 104 VAL MG2 7.250 . 7.250 3.221 1.618 4.969 . 0 0 "[ . 1 . 2]" 1
923 1 91 VAL MG2 1 106 VAL HA 7.020 . 7.020 3.908 1.953 5.385 . 0 0 "[ . 1 . 2]" 1
924 1 91 VAL MG2 1 106 VAL MG1 8.040 . 8.040 3.665 1.647 5.632 . 0 0 "[ . 1 . 2]" 1
925 1 91 VAL MG2 1 106 VAL MG2 8.040 . 8.040 3.571 1.621 5.702 . 0 0 "[ . 1 . 2]" 1
926 1 92 LEU H 1 92 LEU MD1 5.760 . 5.760 2.835 1.954 3.843 . 0 0 "[ . 1 . 2]" 1
927 1 92 LEU H 1 92 LEU MD2 4.790 . 4.790 3.448 1.710 4.184 . 0 0 "[ . 1 . 2]" 1
928 1 92 LEU H 1 92 LEU HG 5.140 . 5.140 4.234 3.636 4.444 . 0 0 "[ . 1 . 2]" 1
929 1 92 LEU HA 1 92 LEU MD1 4.430 . 4.430 2.477 1.870 3.379 . 0 0 "[ . 1 . 2]" 1
930 1 92 LEU HA 1 93 PHE H 3.480 . 3.480 2.173 2.033 2.277 . 0 0 "[ . 1 . 2]" 1
931 1 92 LEU HB2 1 93 PHE H 6.000 . 6.000 4.136 2.919 4.404 . 0 0 "[ . 1 . 2]" 1
932 1 92 LEU HB2 1 105 VAL HB 6.000 . 6.000 3.268 1.450 4.963 . 0 0 "[ . 1 . 2]" 1
933 1 92 LEU HB3 1 93 PHE H 6.000 . 6.000 3.269 2.816 3.748 . 0 0 "[ . 1 . 2]" 1
934 1 92 LEU HB3 1 105 VAL HB 6.000 . 6.000 4.605 2.748 6.060 0.060 12 0 "[ . 1 . 2]" 1
935 1 92 LEU MD1 1 93 PHE H 6.190 . 6.190 4.226 3.377 4.902 . 0 0 "[ . 1 . 2]" 1
936 1 92 LEU MD2 1 93 PHE H 7.020 . 7.020 4.705 4.004 4.972 . 0 0 "[ . 1 . 2]" 1
937 1 92 LEU HG 1 93 PHE H 5.960 . 5.960 4.506 3.783 5.632 . 0 0 "[ . 1 . 2]" 1
938 1 93 PHE H 1 94 ARG H 5.140 . 5.140 4.278 4.120 4.491 . 0 0 "[ . 1 . 2]" 1
939 1 93 PHE HA 1 102 THR MG 4.930 . 4.930 3.035 2.689 3.461 . 0 0 "[ . 1 . 2]" 1
940 1 93 PHE HA 1 103 GLU H 6.000 . 6.000 4.791 4.388 5.138 . 0 0 "[ . 1 . 2]" 1
941 1 93 PHE HA 1 104 VAL MG1 7.020 . 7.020 4.866 3.174 5.371 . 0 0 "[ . 1 . 2]" 1
942 1 93 PHE QB 1 102 THR MG 5.230 . 5.230 2.282 1.877 2.659 . 0 0 "[ . 1 . 2]" 1
943 1 93 PHE HB2 1 94 ARG H 6.000 . 6.000 4.361 4.148 4.498 . 0 0 "[ . 1 . 2]" 1
944 1 93 PHE HB2 1 102 THR MG 5.720 . 5.720 3.732 3.290 4.119 . 0 0 "[ . 1 . 2]" 1
945 1 93 PHE HB3 1 94 ARG H 6.000 . 6.000 3.563 3.239 3.750 . 0 0 "[ . 1 . 2]" 1
946 1 93 PHE HB3 1 102 THR MG 5.720 . 5.720 2.303 1.888 2.692 . 0 0 "[ . 1 . 2]" 1
947 1 93 PHE QD 1 94 ARG H 8.130 . 8.130 4.101 3.663 4.636 . 0 0 "[ . 1 . 2]" 1
948 1 93 PHE QD 1 102 THR MG 7.560 . 7.560 2.477 2.078 3.214 . 0 0 "[ . 1 . 2]" 1
949 1 93 PHE QD 1 104 VAL MG1 6.770 . 6.770 3.797 1.656 4.732 . 0 0 "[ . 1 . 2]" 1
950 1 93 PHE QD 1 104 VAL MG2 9.150 . 9.150 3.857 3.189 5.459 . 0 0 "[ . 1 . 2]" 1
951 1 93 PHE HZ 1 104 VAL MG2 7.020 . 7.020 3.988 2.471 5.875 . 0 0 "[ . 1 . 2]" 1
952 1 94 ARG H 1 94 ARG HD2 6.000 . 6.000 4.499 2.424 5.556 . 0 0 "[ . 1 . 2]" 1
953 1 94 ARG H 1 94 ARG HD3 6.000 . 6.000 4.464 3.540 5.193 . 0 0 "[ . 1 . 2]" 1
954 1 94 ARG H 1 94 ARG HG2 4.850 . 4.850 2.870 1.885 4.354 . 0 0 "[ . 1 . 2]" 1
955 1 94 ARG H 1 94 ARG QG 4.710 . 4.710 2.466 1.873 3.215 . 0 0 "[ . 1 . 2]" 1
956 1 94 ARG H 1 94 ARG HG3 4.850 . 4.850 3.231 2.452 4.022 . 0 0 "[ . 1 . 2]" 1
957 1 94 ARG H 1 95 PRO HD2 6.000 . 6.000 5.093 4.674 5.339 . 0 0 "[ . 1 . 2]" 1
958 1 94 ARG H 1 95 PRO HD3 6.000 . 6.000 4.701 4.457 5.130 . 0 0 "[ . 1 . 2]" 1
959 1 94 ARG H 1 102 THR HA 5.420 . 5.420 4.721 4.233 5.249 . 0 0 "[ . 1 . 2]" 1
960 1 94 ARG H 1 102 THR MG 3.990 . 3.990 2.889 2.249 3.300 . 0 0 "[ . 1 . 2]" 1
961 1 94 ARG H 1 103 GLU H 3.770 . 3.770 3.364 3.000 3.779 0.009 18 0 "[ . 1 . 2]" 1
962 1 94 ARG H 1 103 GLU QB 6.090 . 6.090 3.630 2.821 5.211 . 0 0 "[ . 1 . 2]" 1
963 1 94 ARG H 1 105 VAL QG 7.600 . 7.600 3.755 3.212 4.334 . 0 0 "[ . 1 . 2]" 1
964 1 94 ARG HA 1 95 PRO QD 3.400 . 3.400 1.916 1.765 2.055 . 0 0 "[ . 1 . 2]" 1
965 1 94 ARG HA 1 103 GLU H 6.000 . 6.000 4.978 4.673 5.412 . 0 0 "[ . 1 . 2]" 1
966 1 94 ARG QB 1 102 THR MG 7.900 . 7.900 4.508 4.133 4.782 . 0 0 "[ . 1 . 2]" 1
967 1 94 ARG QB 1 105 VAL QG 8.520 . 8.520 3.721 2.995 4.354 . 0 0 "[ . 1 . 2]" 1
968 1 94 ARG HB2 1 105 VAL MG1 10.120 . 10.120 5.775 3.393 7.420 . 0 0 "[ . 1 . 2]" 1
969 1 94 ARG HB2 1 105 VAL MG2 10.120 . 10.120 4.688 3.144 7.368 . 0 0 "[ . 1 . 2]" 1
970 1 94 ARG HB3 1 105 VAL MG1 10.120 . 10.120 5.816 4.285 6.947 . 0 0 "[ . 1 . 2]" 1
971 1 94 ARG HB3 1 105 VAL MG2 10.120 . 10.120 4.794 3.767 6.677 . 0 0 "[ . 1 . 2]" 1
972 1 94 ARG QD 1 105 VAL QG 6.570 . 6.570 2.605 1.696 3.712 . 0 0 "[ . 1 . 2]" 1
973 1 94 ARG HD2 1 105 VAL MG1 7.020 . 7.020 4.579 2.633 5.837 . 0 0 "[ . 1 . 2]" 1
974 1 94 ARG HD2 1 105 VAL MG2 7.020 . 7.020 3.691 2.266 5.607 . 0 0 "[ . 1 . 2]" 1
975 1 94 ARG HD3 1 105 VAL MG1 7.020 . 7.020 4.119 2.511 5.754 . 0 0 "[ . 1 . 2]" 1
976 1 94 ARG HD3 1 105 VAL MG2 7.020 . 7.020 3.201 1.713 4.664 . 0 0 "[ . 1 . 2]" 1
977 1 94 ARG QG 1 105 VAL QG 6.740 . 6.740 2.778 1.992 3.810 . 0 0 "[ . 1 . 2]" 1
978 1 94 ARG HG2 1 105 VAL MG1 7.020 . 7.020 4.903 3.065 5.946 . 0 0 "[ . 1 . 2]" 1
979 1 94 ARG HG2 1 105 VAL MG2 7.020 . 7.020 3.616 2.213 5.875 . 0 0 "[ . 1 . 2]" 1
980 1 94 ARG HG3 1 105 VAL MG1 7.020 . 7.020 4.902 4.138 5.888 . 0 0 "[ . 1 . 2]" 1
981 1 94 ARG HG3 1 105 VAL MG2 7.020 . 7.020 3.608 2.108 5.865 . 0 0 "[ . 1 . 2]" 1
982 1 95 PRO HA 1 96 ALA H 2.870 . 2.870 2.156 2.122 2.194 . 0 0 "[ . 1 . 2]" 1
983 1 95 PRO QB 1 96 ALA H 3.980 . 3.980 3.383 3.191 3.656 . 0 0 "[ . 1 . 2]" 1
984 1 95 PRO HB2 1 96 ALA H 4.200 . 4.200 3.877 3.397 4.108 . 0 0 "[ . 1 . 2]" 1
985 1 95 PRO HB3 1 96 ALA H 4.200 . 4.200 3.762 3.431 4.239 0.039 14 0 "[ . 1 . 2]" 1
986 1 96 ALA H 1 96 ALA MB 3.420 . 3.420 2.261 2.221 2.369 . 0 0 "[ . 1 . 2]" 1
987 1 96 ALA H 1 102 THR HA 3.730 . 3.730 2.615 2.047 3.124 . 0 0 "[ . 1 . 2]" 1
988 1 96 ALA H 1 103 GLU H 4.240 . 4.240 3.343 3.004 3.806 . 0 0 "[ . 1 . 2]" 1
989 1 96 ALA HA 1 101 GLY H 5.320 . 5.320 5.228 4.888 5.383 0.063 8 0 "[ . 1 . 2]" 1
990 1 96 ALA HA 1 103 GLU HB2 5.680 . 5.680 3.534 2.445 5.684 0.004 11 0 "[ . 1 . 2]" 1
991 1 96 ALA HA 1 103 GLU QB 5.410 . 5.410 3.149 2.379 4.242 . 0 0 "[ . 1 . 2]" 1
992 1 96 ALA HA 1 103 GLU HB3 5.680 . 5.680 3.820 2.761 5.187 . 0 0 "[ . 1 . 2]" 1
993 1 96 ALA MB 1 97 PRO HD2 4.570 . 4.570 2.337 2.073 2.595 . 0 0 "[ . 1 . 2]" 1
994 1 96 ALA MB 1 97 PRO QD 4.430 . 4.430 2.283 2.059 2.466 . 0 0 "[ . 1 . 2]" 1
995 1 96 ALA MB 1 97 PRO HD3 4.570 . 4.570 3.306 3.002 3.625 . 0 0 "[ . 1 . 2]" 1
996 1 96 ALA MB 1 97 PRO QG 6.560 . 6.560 3.878 3.333 4.205 . 0 0 "[ . 1 . 2]" 1
997 1 96 ALA MB 1 99 ALA H 6.870 . 6.870 4.344 3.636 5.081 . 0 0 "[ . 1 . 2]" 1
998 1 96 ALA MB 1 99 ALA HA 7.020 . 7.020 4.404 3.521 5.973 . 0 0 "[ . 1 . 2]" 1
999 1 96 ALA MB 1 100 ARG H 4.210 . 4.210 3.036 2.579 3.422 . 0 0 "[ . 1 . 2]" 1
1000 1 96 ALA MB 1 100 ARG HA 7.020 . 7.020 4.397 3.950 4.902 . 0 0 "[ . 1 . 2]" 1
1001 1 96 ALA MB 1 100 ARG HB2 5.290 . 5.290 3.019 1.744 4.243 . 0 0 "[ . 1 . 2]" 1
1002 1 96 ALA MB 1 100 ARG QB 4.920 . 4.920 2.335 1.408 3.384 . 0 0 "[ . 1 . 2]" 1
1003 1 96 ALA MB 1 100 ARG HB3 5.290 . 5.290 2.964 1.411 4.383 . 0 0 "[ . 1 . 2]" 1
1004 1 96 ALA MB 1 101 GLY H 4.170 . 4.170 2.427 1.900 2.990 . 0 0 "[ . 1 . 2]" 1
1005 1 96 ALA MB 1 101 GLY HA2 7.020 . 7.020 4.088 3.769 4.575 . 0 0 "[ . 1 . 2]" 1
1006 1 96 ALA MB 1 101 GLY HA3 7.020 . 7.020 3.653 3.206 4.290 . 0 0 "[ . 1 . 2]" 1
1007 1 96 ALA MB 1 102 THR H 5.400 . 5.400 3.747 2.998 4.385 . 0 0 "[ . 1 . 2]" 1
1008 1 96 ALA MB 1 102 THR HA 5.610 . 5.610 3.038 2.213 3.781 . 0 0 "[ . 1 . 2]" 1
1009 1 96 ALA MB 1 103 GLU H 4.610 . 4.610 2.916 2.328 3.456 . 0 0 "[ . 1 . 2]" 1
1010 1 96 ALA MB 1 103 GLU HA 7.020 . 7.020 3.740 3.012 4.123 . 0 0 "[ . 1 . 2]" 1
1011 1 96 ALA MB 1 103 GLU HB2 6.660 . 6.660 2.832 2.228 4.278 . 0 0 "[ . 1 . 2]" 1
1012 1 96 ALA MB 1 103 GLU QB 5.970 . 5.970 2.558 2.199 3.218 . 0 0 "[ . 1 . 2]" 1
1013 1 96 ALA MB 1 103 GLU HB3 6.660 . 6.660 3.526 2.433 4.185 . 0 0 "[ . 1 . 2]" 1
1014 1 96 ALA MB 1 103 GLU QG 7.900 . 7.900 4.143 3.119 4.819 . 0 0 "[ . 1 . 2]" 1
1015 1 96 ALA MB 1 104 VAL H 7.020 . 7.020 5.548 4.755 5.833 . 0 0 "[ . 1 . 2]" 1
1016 1 97 PRO HA 1 98 GLY H 2.760 . 2.760 2.184 2.111 2.381 . 0 0 "[ . 1 . 2]" 1
1017 1 97 PRO QB 1 98 GLY H 3.920 . 3.920 3.249 2.574 3.595 . 0 0 "[ . 1 . 2]" 1
1018 1 97 PRO QB 1 100 ARG H 5.840 . 5.840 4.922 3.154 5.258 . 0 0 "[ . 1 . 2]" 1
1019 1 97 PRO HB2 1 98 GLY H 4.130 . 4.130 3.750 2.654 4.224 0.094 3 0 "[ . 1 . 2]" 1
1020 1 97 PRO HB3 1 98 GLY H 4.130 . 4.130 3.626 2.943 4.166 0.036 4 0 "[ . 1 . 2]" 1
1021 1 98 GLY H 1 99 ALA H 3.340 . 3.340 2.827 2.283 3.639 0.299 4 0 "[ . 1 . 2]" 1
1022 1 99 ALA H 1 99 ALA HA 2.760 . 2.760 2.454 2.258 2.904 0.144 15 0 "[ . 1 . 2]" 1
1023 1 99 ALA H 1 99 ALA MB 3.420 . 3.420 2.856 2.395 2.952 . 0 0 "[ . 1 . 2]" 1
1024 1 99 ALA H 1 100 ARG H 3.120 . 3.120 2.415 1.710 2.773 . 0 0 "[ . 1 . 2]" 1
1025 1 99 ALA HA 1 100 ARG H 3.410 . 3.410 2.913 2.814 3.190 . 0 0 "[ . 1 . 2]" 1
1026 1 99 ALA MB 1 100 ARG H 4.320 . 4.320 3.630 3.422 3.676 . 0 0 "[ . 1 . 2]" 1
1027 1 100 ARG H 1 100 ARG HB2 3.590 . 3.590 2.464 2.214 2.747 . 0 0 "[ . 1 . 2]" 1
1028 1 100 ARG H 1 100 ARG QB 3.420 . 3.420 2.310 2.138 2.473 . 0 0 "[ . 1 . 2]" 1
1029 1 100 ARG H 1 100 ARG HB3 3.590 . 3.590 3.084 2.423 3.615 0.025 1 0 "[ . 1 . 2]" 1
1030 1 100 ARG H 1 100 ARG HD2 6.000 . 6.000 4.852 4.263 5.878 . 0 0 "[ . 1 . 2]" 1
1031 1 100 ARG H 1 100 ARG HD3 6.000 . 6.000 4.725 3.379 5.930 . 0 0 "[ . 1 . 2]" 1
1032 1 100 ARG H 1 101 GLY H 3.370 . 3.370 2.559 2.078 2.780 . 0 0 "[ . 1 . 2]" 1
1033 1 100 ARG HA 1 101 GLY H 3.520 . 3.520 3.386 3.135 3.542 0.022 18 0 "[ . 1 . 2]" 1
1034 1 100 ARG QB 1 101 GLY H 4.240 . 4.240 3.011 2.053 3.602 . 0 0 "[ . 1 . 2]" 1
1035 1 100 ARG HB2 1 101 GLY H 4.450 . 4.450 3.643 2.693 4.259 . 0 0 "[ . 1 . 2]" 1
1036 1 100 ARG HB3 1 101 GLY H 4.450 . 4.450 3.480 2.065 4.314 . 0 0 "[ . 1 . 2]" 1
1037 1 100 ARG HG2 1 101 GLY H 6.000 . 6.000 4.698 2.996 5.359 . 0 0 "[ . 1 . 2]" 1
1038 1 100 ARG HG3 1 101 GLY H 6.000 . 6.000 4.882 4.097 5.614 . 0 0 "[ . 1 . 2]" 1
1039 1 101 GLY H 1 102 THR H 4.740 . 4.740 4.259 3.749 4.457 . 0 0 "[ . 1 . 2]" 1
1040 1 101 GLY QA 1 102 THR HA 5.690 . 5.690 3.949 3.913 4.011 . 0 0 "[ . 1 . 2]" 1
1041 1 101 GLY HA2 1 102 THR H 3.300 . 3.300 3.064 2.721 3.347 0.047 7 0 "[ . 1 . 2]" 1
1042 1 101 GLY HA3 1 102 THR H 3.300 . 3.300 2.214 2.119 2.435 . 0 0 "[ . 1 . 2]" 1
1043 1 102 THR H 1 102 THR HB 3.410 . 3.410 2.728 2.573 2.905 . 0 0 "[ . 1 . 2]" 1
1044 1 102 THR H 1 103 GLU H 5.820 . 5.820 4.319 4.164 4.410 . 0 0 "[ . 1 . 2]" 1
1045 1 102 THR HA 1 103 GLU H 3.160 . 3.160 2.153 2.087 2.212 . 0 0 "[ . 1 . 2]" 1
1046 1 102 THR HB 1 103 GLU H 5.170 . 5.170 4.104 3.889 4.276 . 0 0 "[ . 1 . 2]" 1
1047 1 102 THR HB 1 104 VAL MG1 6.590 . 6.590 4.861 2.855 5.422 . 0 0 "[ . 1 . 2]" 1
1048 1 102 THR MG 1 103 GLU H 3.890 . 3.890 2.633 2.368 2.980 . 0 0 "[ . 1 . 2]" 1
1049 1 102 THR MG 1 103 GLU QB 7.900 . 7.900 4.089 3.791 4.639 . 0 0 "[ . 1 . 2]" 1
1050 1 102 THR MG 1 104 VAL H 7.020 . 7.020 4.148 3.864 4.558 . 0 0 "[ . 1 . 2]" 1
1051 1 103 GLU H 1 103 GLU HB2 4.060 . 4.060 2.907 2.586 3.740 . 0 0 "[ . 1 . 2]" 1
1052 1 103 GLU H 1 103 GLU QB 3.740 . 3.740 2.358 2.218 2.796 . 0 0 "[ . 1 . 2]" 1
1053 1 103 GLU H 1 103 GLU HB3 4.060 . 4.060 2.508 2.361 2.886 . 0 0 "[ . 1 . 2]" 1
1054 1 103 GLU H 1 104 VAL H 5.320 . 5.320 4.337 4.177 4.504 . 0 0 "[ . 1 . 2]" 1
1055 1 103 GLU HA 1 104 VAL H 3.340 . 3.340 2.142 2.100 2.205 . 0 0 "[ . 1 . 2]" 1
1056 1 103 GLU HA 1 104 VAL MG1 7.020 . 7.020 3.581 3.317 3.812 . 0 0 "[ . 1 . 2]" 1
1057 1 103 GLU QB 1 104 VAL MG1 7.900 . 7.900 4.921 4.236 5.181 . 0 0 "[ . 1 . 2]" 1
1058 1 103 GLU QB 1 105 VAL QG 8.120 . 8.120 3.638 3.054 4.899 . 0 0 "[ . 1 . 2]" 1
1059 1 103 GLU HB2 1 104 VAL H 5.280 . 5.280 4.193 3.009 4.482 . 0 0 "[ . 1 . 2]" 1
1060 1 103 GLU HB2 1 105 VAL MG1 10.120 . 10.120 6.019 4.258 7.267 . 0 0 "[ . 1 . 2]" 1
1061 1 103 GLU HB2 1 105 VAL MG2 10.120 . 10.120 5.307 3.521 7.280 . 0 0 "[ . 1 . 2]" 1
1062 1 103 GLU HB3 1 104 VAL H 5.280 . 5.280 4.323 4.140 4.469 . 0 0 "[ . 1 . 2]" 1
1063 1 103 GLU HB3 1 105 VAL MG1 10.120 . 10.120 5.387 3.446 6.647 . 0 0 "[ . 1 . 2]" 1
1064 1 103 GLU HB3 1 105 VAL MG2 10.120 . 10.120 4.504 3.145 7.026 . 0 0 "[ . 1 . 2]" 1
1065 1 103 GLU QG 1 105 VAL QG 6.400 . 6.400 2.475 1.904 4.117 . 0 0 "[ . 1 . 2]" 1
1066 1 103 GLU HG2 1 104 VAL H 5.860 . 5.860 3.749 3.168 4.958 . 0 0 "[ . 1 . 2]" 1
1067 1 103 GLU HG2 1 104 VAL MG1 7.020 . 7.020 4.979 4.403 5.871 . 0 0 "[ . 1 . 2]" 1
1068 1 103 GLU HG2 1 105 VAL MG1 8.430 . 8.430 3.974 2.045 5.631 . 0 0 "[ . 1 . 2]" 1
1069 1 103 GLU HG2 1 105 VAL MG2 8.430 . 8.430 3.388 2.006 6.333 . 0 0 "[ . 1 . 2]" 1
1070 1 103 GLU HG3 1 104 VAL H 5.860 . 5.860 3.592 3.072 4.201 . 0 0 "[ . 1 . 2]" 1
1071 1 103 GLU HG3 1 104 VAL MG1 7.020 . 7.020 4.855 4.129 5.542 . 0 0 "[ . 1 . 2]" 1
1072 1 103 GLU HG3 1 105 VAL MG1 8.430 . 8.430 4.788 2.922 6.156 . 0 0 "[ . 1 . 2]" 1
1073 1 103 GLU HG3 1 105 VAL MG2 8.430 . 8.430 4.362 1.924 6.222 . 0 0 "[ . 1 . 2]" 1
1074 1 104 VAL H 1 104 VAL HB 3.550 . 3.550 3.182 2.851 3.690 0.140 19 0 "[ . 1 . 2]" 1
1075 1 104 VAL H 1 105 VAL H 5.750 . 5.750 4.286 4.132 4.485 . 0 0 "[ . 1 . 2]" 1
1076 1 104 VAL HA 1 105 VAL H 3.340 . 3.340 2.120 2.071 2.160 . 0 0 "[ . 1 . 2]" 1
1077 1 104 VAL MG1 1 105 VAL H 5.150 . 5.150 4.231 4.038 4.315 . 0 0 "[ . 1 . 2]" 1
1078 1 104 VAL MG1 1 140 PHE QD 8.680 . 8.680 4.682 3.163 6.072 . 0 0 "[ . 1 . 2]" 1
1079 1 104 VAL MG1 1 140 PHE QE 8.250 . 8.250 3.366 1.566 4.833 . 0 0 "[ . 1 . 2]" 1
1080 1 104 VAL MG1 1 144 GLN QG 7.900 . 7.900 4.574 3.476 5.656 . 0 0 "[ . 1 . 2]" 1
1081 1 104 VAL MG2 1 105 VAL H 4.390 . 4.390 3.303 2.978 3.728 . 0 0 "[ . 1 . 2]" 1
1082 1 104 VAL MG2 1 106 VAL MG2 8.040 . 8.040 2.864 1.736 3.986 . 0 0 "[ . 1 . 2]" 1
1083 1 104 VAL MG2 1 137 LEU MD2 8.040 . 8.040 4.753 3.604 5.374 . 0 0 "[ . 1 . 2]" 1
1084 1 104 VAL MG2 1 140 PHE QE 9.150 . 9.150 3.779 1.456 5.075 . 0 0 "[ . 1 . 2]" 1
1085 1 105 VAL H 1 105 VAL HB 3.550 . 3.550 3.028 2.543 3.732 0.182 9 0 "[ . 1 . 2]" 1
1086 1 105 VAL H 1 106 VAL H 4.270 . 4.270 4.295 4.161 4.369 0.099 12 0 "[ . 1 . 2]" 1
1087 1 105 VAL HA 1 106 VAL H 3.190 . 3.190 2.135 2.106 2.182 . 0 0 "[ . 1 . 2]" 1
1088 1 105 VAL HB 1 106 VAL H 5.060 . 5.060 4.004 3.429 4.329 . 0 0 "[ . 1 . 2]" 1
1089 1 105 VAL MG1 1 106 VAL H 7.020 . 7.020 3.456 2.915 4.116 . 0 0 "[ . 1 . 2]" 1
1090 1 105 VAL MG2 1 106 VAL H 7.020 . 7.020 4.087 2.780 4.358 . 0 0 "[ . 1 . 2]" 1
1091 1 106 VAL H 1 106 VAL HB 4.060 . 4.060 3.069 2.575 3.792 . 0 0 "[ . 1 . 2]" 1
1092 1 106 VAL H 1 107 ARG H 4.310 . 4.310 4.320 4.186 4.411 0.101 12 0 "[ . 1 . 2]" 1
1093 1 106 VAL HA 1 107 ARG H 3.480 . 3.480 2.131 2.102 2.183 . 0 0 "[ . 1 . 2]" 1
1094 1 106 VAL HB 1 107 ARG H 5.210 . 5.210 3.914 2.848 4.309 . 0 0 "[ . 1 . 2]" 1
1095 1 106 VAL MG1 1 107 ARG H 5.400 . 5.400 3.364 2.580 4.104 . 0 0 "[ . 1 . 2]" 1
1096 1 106 VAL MG2 1 107 ARG H 5.430 . 5.430 3.840 2.436 4.287 . 0 0 "[ . 1 . 2]" 1
1097 1 107 ARG HB2 1 108 LEU H 6.000 . 6.000 4.204 3.315 4.530 . 0 0 "[ . 1 . 2]" 1
1098 1 107 ARG HB3 1 108 LEU H 6.000 . 6.000 4.255 3.656 4.512 . 0 0 "[ . 1 . 2]" 1
1099 1 107 ARG HG2 1 108 LEU H 6.000 . 6.000 4.389 3.151 5.821 . 0 0 "[ . 1 . 2]" 1
1100 1 107 ARG HG3 1 108 LEU H 6.000 . 6.000 4.294 3.272 5.336 . 0 0 "[ . 1 . 2]" 1
1101 1 108 LEU HA 1 109 THR H 3.300 . 3.300 2.245 2.080 2.383 . 0 0 "[ . 1 . 2]" 1
1102 1 108 LEU QB 1 110 TYR QE 9.010 . 9.010 4.296 1.950 7.127 . 0 0 "[ . 1 . 2]" 1
1103 1 108 LEU MD1 1 109 THR H 7.020 . 7.020 3.923 1.916 5.056 . 0 0 "[ . 1 . 2]" 1
1104 1 108 LEU MD1 1 110 TYR QD 8.250 . 8.250 3.689 1.874 5.650 . 0 0 "[ . 1 . 2]" 1
1105 1 108 LEU MD1 1 110 TYR QE 8.320 . 8.320 3.765 1.996 5.846 . 0 0 "[ . 1 . 2]" 1
1106 1 108 LEU MD2 1 109 THR H 7.020 . 7.020 3.999 1.921 4.910 . 0 0 "[ . 1 . 2]" 1
1107 1 108 LEU MD2 1 110 TYR QB 7.900 . 7.900 4.827 2.874 5.829 . 0 0 "[ . 1 . 2]" 1
1108 1 109 THR HA 1 110 TYR H 3.370 . 3.370 2.166 2.076 2.259 . 0 0 "[ . 1 . 2]" 1
1109 1 109 THR HB 1 110 TYR H 5.420 . 5.420 4.003 3.178 4.328 . 0 0 "[ . 1 . 2]" 1
1110 1 109 THR MG 1 110 TYR H 4.610 . 4.610 3.473 2.593 3.896 . 0 0 "[ . 1 . 2]" 1
1111 1 110 TYR H 1 111 ARG HG2 6.000 . 6.000 5.441 4.385 6.109 0.109 4 0 "[ . 1 . 2]" 1
1112 1 110 TYR H 1 111 ARG HG3 6.000 . 6.000 5.403 3.980 6.259 0.259 12 0 "[ . 1 . 2]" 1
1113 1 110 TYR HA 1 111 ARG H 3.480 . 3.480 2.354 2.083 2.602 . 0 0 "[ . 1 . 2]" 1
1114 1 110 TYR HA 1 111 ARG HG2 6.000 . 6.000 4.540 3.347 5.456 . 0 0 "[ . 1 . 2]" 1
1115 1 110 TYR HA 1 111 ARG HG3 6.000 . 6.000 3.973 3.415 4.733 . 0 0 "[ . 1 . 2]" 1
1116 1 110 TYR HB2 1 111 ARG H 5.060 . 5.060 3.417 2.146 4.496 . 0 0 "[ . 1 . 2]" 1
1117 1 110 TYR HB3 1 111 ARG H 5.060 . 5.060 3.385 2.056 4.322 . 0 0 "[ . 1 . 2]" 1
1118 1 111 ARG H 1 111 ARG HD2 6.000 . 6.000 4.657 3.627 5.315 . 0 0 "[ . 1 . 2]" 1
1119 1 111 ARG H 1 111 ARG HD3 6.000 . 6.000 4.904 4.284 5.725 . 0 0 "[ . 1 . 2]" 1
1120 1 115 GLY H 1 116 SER H 6.000 . 6.000 3.632 1.734 4.565 . 0 0 "[ . 1 . 2]" 1
1121 1 116 SER H 1 117 ALA H 3.980 . 3.980 2.552 2.294 2.797 . 0 0 "[ . 1 . 2]" 1
1122 1 116 SER HB2 1 117 ALA H 6.000 . 6.000 3.285 2.426 4.135 . 0 0 "[ . 1 . 2]" 1
1123 1 116 SER HB2 1 119 ALA MB 7.020 . 7.020 5.034 3.818 5.663 . 0 0 "[ . 1 . 2]" 1
1124 1 116 SER HB3 1 117 ALA H 6.000 . 6.000 3.644 2.402 4.265 . 0 0 "[ . 1 . 2]" 1
1125 1 116 SER HB3 1 119 ALA MB 7.020 . 7.020 4.488 3.026 5.299 . 0 0 "[ . 1 . 2]" 1
1126 1 117 ALA H 1 117 ALA MB 3.600 . 3.600 2.240 2.224 2.268 . 0 0 "[ . 1 . 2]" 1
1127 1 117 ALA H 1 118 GLY H 3.590 . 3.590 2.621 2.424 2.811 . 0 0 "[ . 1 . 2]" 1
1128 1 118 GLY H 1 119 ALA H 4.600 . 4.600 2.607 2.420 2.814 . 0 0 "[ . 1 . 2]" 1
1129 1 118 GLY QA 1 119 ALA HA 5.190 . 5.190 4.033 3.989 4.093 . 0 0 "[ . 1 . 2]" 1
1130 1 119 ALA H 1 120 VAL H 4.270 . 4.270 2.583 2.379 2.824 . 0 0 "[ . 1 . 2]" 1
1131 1 119 ALA H 1 120 VAL QG 7.960 . 7.960 3.683 3.315 4.069 . 0 0 "[ . 1 . 2]" 1
1132 1 119 ALA MB 1 120 VAL HA 6.690 . 6.690 3.825 3.703 3.947 . 0 0 "[ . 1 . 2]" 1
1133 1 119 ALA MB 1 120 VAL HB 7.020 . 7.020 4.830 3.843 5.304 . 0 0 "[ . 1 . 2]" 1
1134 1 120 VAL H 1 120 VAL HB 3.590 . 3.590 3.031 2.476 3.651 0.061 4 0 "[ . 1 . 2]" 1
1135 1 120 VAL HA 1 123 ARG HB2 5.890 . 5.890 3.979 2.612 5.653 . 0 0 "[ . 1 . 2]" 1
1136 1 120 VAL HA 1 123 ARG QB 5.590 . 5.590 3.440 2.134 4.669 . 0 0 "[ . 1 . 2]" 1
1137 1 120 VAL HA 1 123 ARG HB3 5.890 . 5.890 3.936 2.263 5.651 . 0 0 "[ . 1 . 2]" 1
1138 1 120 VAL MG1 1 121 ILE H 7.020 . 7.020 3.440 2.345 4.095 . 0 0 "[ . 1 . 2]" 1
1139 1 120 VAL MG2 1 121 ILE H 7.020 . 7.020 3.172 2.070 4.043 . 0 0 "[ . 1 . 2]" 1
1140 1 121 ILE H 1 122 ALA H 4.960 . 4.960 2.562 2.447 2.837 . 0 0 "[ . 1 . 2]" 1
1141 1 121 ILE MD 1 122 ALA H 7.020 . 7.020 4.288 2.475 5.020 . 0 0 "[ . 1 . 2]" 1
1142 1 121 ILE MG 1 122 ALA H 7.020 . 7.020 3.247 2.255 4.132 . 0 0 "[ . 1 . 2]" 1
1143 1 122 ALA H 1 123 ARG H 4.490 . 4.490 2.606 2.401 2.958 . 0 0 "[ . 1 . 2]" 1
1144 1 123 ARG H 1 124 MET H 4.240 . 4.240 2.487 2.204 2.690 . 0 0 "[ . 1 . 2]" 1
1145 1 123 ARG HB2 1 124 MET H 6.000 . 6.000 3.864 2.531 4.248 . 0 0 "[ . 1 . 2]" 1
1146 1 123 ARG HB3 1 124 MET H 6.000 . 6.000 3.225 2.484 4.282 . 0 0 "[ . 1 . 2]" 1
1147 1 123 ARG HG2 1 124 MET H 6.000 . 6.000 4.170 2.824 5.207 . 0 0 "[ . 1 . 2]" 1
1148 1 123 ARG HG3 1 124 MET H 6.000 . 6.000 4.561 2.945 5.551 . 0 0 "[ . 1 . 2]" 1
1149 1 134 ARG H 1 135 ASP H 6.000 . 6.000 3.056 1.967 4.558 . 0 0 "[ . 1 . 2]" 1
1150 1 135 ASP H 1 136 ASP H 4.450 . 4.450 2.774 2.532 3.037 . 0 0 "[ . 1 . 2]" 1
1151 1 135 ASP HB2 1 136 ASP H 6.000 . 6.000 3.494 2.315 4.136 . 0 0 "[ . 1 . 2]" 1
1152 1 135 ASP HB3 1 136 ASP H 6.000 . 6.000 3.243 2.317 4.015 . 0 0 "[ . 1 . 2]" 1
1153 1 136 ASP H 1 137 LEU H 5.640 . 5.640 2.626 2.429 2.935 . 0 0 "[ . 1 . 2]" 1
1154 1 137 LEU H 1 137 LEU QB 3.900 . 3.900 2.208 2.061 2.299 . 0 0 "[ . 1 . 2]" 1
1155 1 137 LEU H 1 137 LEU MD1 5.760 . 5.760 3.825 2.754 4.075 . 0 0 "[ . 1 . 2]" 1
1156 1 137 LEU H 1 137 LEU MD2 5.540 . 5.540 4.103 2.564 4.354 . 0 0 "[ . 1 . 2]" 1
1157 1 137 LEU H 1 138 MET H 3.840 . 3.840 2.489 2.341 2.886 . 0 0 "[ . 1 . 2]" 1
1158 1 137 LEU HA 1 138 MET ME 7.020 . 7.020 5.340 4.410 5.916 . 0 0 "[ . 1 . 2]" 1
1159 1 137 LEU HA 1 140 PHE H 4.200 . 4.200 3.289 2.852 4.185 . 0 0 "[ . 1 . 2]" 1
1160 1 137 LEU HA 1 140 PHE QB 5.190 . 5.190 2.761 2.015 4.431 . 0 0 "[ . 1 . 2]" 1
1161 1 137 LEU HA 1 140 PHE QD 8.130 . 8.130 3.633 2.023 4.773 . 0 0 "[ . 1 . 2]" 1
1162 1 137 LEU HA 1 141 LYS H 4.560 . 4.560 4.128 3.732 4.595 0.035 2 0 "[ . 1 . 2]" 1
1163 1 137 LEU HB2 1 138 MET H 5.350 . 5.350 3.733 2.778 4.027 . 0 0 "[ . 1 . 2]" 1
1164 1 137 LEU HB3 1 138 MET H 5.350 . 5.350 2.972 2.431 3.256 . 0 0 "[ . 1 . 2]" 1
1165 1 137 LEU MD1 1 138 MET H 7.020 . 7.020 4.605 4.400 4.751 . 0 0 "[ . 1 . 2]" 1
1166 1 137 LEU MD2 1 138 MET H 6.150 . 6.150 4.759 4.216 5.032 . 0 0 "[ . 1 . 2]" 1
1167 1 138 MET H 1 138 MET ME 7.020 . 7.020 3.516 2.924 4.149 . 0 0 "[ . 1 . 2]" 1
1168 1 138 MET H 1 139 ARG H 5.170 . 5.170 2.621 2.468 2.791 . 0 0 "[ . 1 . 2]" 1
1169 1 138 MET HA 1 141 LYS H 4.630 . 4.630 3.477 3.183 3.930 . 0 0 "[ . 1 . 2]" 1
1170 1 138 MET HA 1 141 LYS QB 5.330 . 5.330 2.707 2.168 3.741 . 0 0 "[ . 1 . 2]" 1
1171 1 138 MET ME 1 142 ARG H 7.020 . 7.020 4.754 2.762 5.657 . 0 0 "[ . 1 . 2]" 1
1172 1 138 MET HG2 1 139 ARG H 6.000 . 6.000 4.421 3.621 5.174 . 0 0 "[ . 1 . 2]" 1
1173 1 138 MET HG3 1 139 ARG H 6.000 . 6.000 4.413 2.316 5.041 . 0 0 "[ . 1 . 2]" 1
1174 1 139 ARG H 1 140 PHE H 4.020 . 4.020 2.618 2.345 2.919 . 0 0 "[ . 1 . 2]" 1
1175 1 139 ARG QB 1 140 PHE H 4.160 . 4.160 2.635 2.246 3.603 . 0 0 "[ . 1 . 2]" 1
1176 1 139 ARG HB2 1 140 PHE H 4.340 . 4.340 3.160 2.340 4.030 . 0 0 "[ . 1 . 2]" 1
1177 1 139 ARG HB3 1 140 PHE H 4.340 . 4.340 3.240 2.267 4.060 . 0 0 "[ . 1 . 2]" 1
1178 1 139 ARG HG2 1 140 PHE H 6.000 . 6.000 4.501 2.862 5.188 . 0 0 "[ . 1 . 2]" 1
1179 1 139 ARG HG3 1 140 PHE H 6.000 . 6.000 4.286 2.399 5.174 . 0 0 "[ . 1 . 2]" 1
1180 1 140 PHE H 1 141 LYS H 3.700 . 3.700 2.689 2.425 2.868 . 0 0 "[ . 1 . 2]" 1
1181 1 140 PHE HA 1 143 GLU H 4.630 . 4.630 3.530 3.075 3.913 . 0 0 "[ . 1 . 2]" 1
1182 1 140 PHE HA 1 143 GLU HB2 5.170 . 5.170 3.337 2.587 5.267 0.097 17 0 "[ . 1 . 2]" 1
1183 1 140 PHE HA 1 143 GLU QB 4.920 . 4.920 3.173 2.559 4.440 . 0 0 "[ . 1 . 2]" 1
1184 1 140 PHE HA 1 143 GLU HB3 5.170 . 5.170 4.630 4.062 5.206 0.036 3 0 "[ . 1 . 2]" 1
1185 1 140 PHE HA 1 143 GLU QG 6.880 . 6.880 3.418 2.073 4.925 . 0 0 "[ . 1 . 2]" 1
1186 1 140 PHE HB2 1 141 LYS H 6.000 . 6.000 3.938 3.729 4.230 . 0 0 "[ . 1 . 2]" 1
1187 1 140 PHE HB3 1 141 LYS H 6.000 . 6.000 2.786 2.352 3.915 . 0 0 "[ . 1 . 2]" 1
1188 1 140 PHE QD 1 141 LYS H 8.130 . 8.130 3.263 2.374 3.849 . 0 0 "[ . 1 . 2]" 1
1189 1 140 PHE QD 1 141 LYS QB 9.010 . 9.010 3.929 3.478 4.538 . 0 0 "[ . 1 . 2]" 1
1190 1 141 LYS H 1 141 LYS HB2 4.020 . 4.020 2.568 2.235 3.594 . 0 0 "[ . 1 . 2]" 1
1191 1 141 LYS H 1 141 LYS QB 3.800 . 3.800 2.230 2.171 2.352 . 0 0 "[ . 1 . 2]" 1
1192 1 141 LYS H 1 141 LYS HB3 4.020 . 4.020 2.545 2.295 3.526 . 0 0 "[ . 1 . 2]" 1
1193 1 141 LYS H 1 142 ARG H 4.240 . 4.240 2.762 2.653 2.941 . 0 0 "[ . 1 . 2]" 1
1194 1 141 LYS QB 1 142 ARG H 4.260 . 4.260 2.520 2.241 3.439 . 0 0 "[ . 1 . 2]" 1
1195 1 141 LYS HB2 1 142 ARG H 4.630 . 4.630 3.773 2.953 3.977 . 0 0 "[ . 1 . 2]" 1
1196 1 141 LYS HB3 1 142 ARG H 4.630 . 4.630 2.600 2.263 3.795 . 0 0 "[ . 1 . 2]" 1
1197 1 141 LYS HD2 1 142 ARG H 6.000 . 6.000 4.830 3.433 5.847 . 0 0 "[ . 1 . 2]" 1
1198 1 141 LYS HD3 1 142 ARG H 6.000 . 6.000 4.511 3.419 5.664 . 0 0 "[ . 1 . 2]" 1
1199 1 141 LYS QG 1 142 ARG H 6.880 . 6.880 3.599 2.136 4.644 . 0 0 "[ . 1 . 2]" 1
1200 1 142 ARG H 1 142 ARG HB2 4.060 . 4.060 2.465 2.052 3.576 . 0 0 "[ . 1 . 2]" 1
1201 1 142 ARG H 1 142 ARG QB 3.760 . 3.760 2.287 2.030 2.809 . 0 0 "[ . 1 . 2]" 1
1202 1 142 ARG H 1 142 ARG HB3 4.060 . 4.060 3.020 2.359 3.607 . 0 0 "[ . 1 . 2]" 1
1203 1 142 ARG H 1 142 ARG HD2 6.000 . 6.000 4.762 2.978 5.922 . 0 0 "[ . 1 . 2]" 1
1204 1 142 ARG H 1 142 ARG HD3 6.000 . 6.000 4.753 3.663 5.946 . 0 0 "[ . 1 . 2]" 1
1205 1 142 ARG H 1 142 ARG HG2 5.100 . 5.100 3.630 2.128 4.617 . 0 0 "[ . 1 . 2]" 1
1206 1 142 ARG H 1 142 ARG QG 4.900 . 4.900 3.266 2.003 4.044 . 0 0 "[ . 1 . 2]" 1
1207 1 142 ARG H 1 142 ARG HG3 5.100 . 5.100 3.957 2.138 4.530 . 0 0 "[ . 1 . 2]" 1
1208 1 142 ARG H 1 143 GLU H 3.660 . 3.660 2.769 2.557 2.923 . 0 0 "[ . 1 . 2]" 1
1209 1 142 ARG HB2 1 143 GLU H 4.630 . 4.630 3.336 2.329 3.979 . 0 0 "[ . 1 . 2]" 1
1210 1 142 ARG HB3 1 143 GLU H 4.630 . 4.630 3.008 2.180 4.316 . 0 0 "[ . 1 . 2]" 1
1211 1 142 ARG QG 1 143 GLU H 5.100 . 5.100 3.820 2.382 4.540 . 0 0 "[ . 1 . 2]" 1
1212 1 142 ARG HG2 1 143 GLU H 5.390 . 5.390 4.259 3.154 5.018 . 0 0 "[ . 1 . 2]" 1
1213 1 142 ARG HG3 1 143 GLU H 5.390 . 5.390 4.573 2.403 5.337 . 0 0 "[ . 1 . 2]" 1
1214 1 143 GLU H 1 143 GLU HB2 3.880 . 3.880 2.623 2.253 3.663 . 0 0 "[ . 1 . 2]" 1
1215 1 143 GLU H 1 143 GLU QB 3.510 . 3.510 2.442 2.229 2.686 . 0 0 "[ . 1 . 2]" 1
1216 1 143 GLU H 1 143 GLU HB3 3.880 . 3.880 3.457 2.709 3.608 . 0 0 "[ . 1 . 2]" 1
1217 1 143 GLU H 1 143 GLU HG2 4.630 . 4.630 3.044 1.939 4.084 . 0 0 "[ . 1 . 2]" 1
1218 1 143 GLU H 1 143 GLU QG 4.020 . 4.020 2.337 1.900 3.496 . 0 0 "[ . 1 . 2]" 1
1219 1 143 GLU H 1 143 GLU HG3 4.630 . 4.630 2.895 1.913 3.801 . 0 0 "[ . 1 . 2]" 1
1220 1 143 GLU H 1 144 GLN H 3.340 . 3.340 2.547 2.389 2.715 . 0 0 "[ . 1 . 2]" 1
1221 1 143 GLU HA 1 143 GLU HG2 4.090 . 4.090 2.972 2.482 3.794 . 0 0 "[ . 1 . 2]" 1
1222 1 143 GLU HA 1 143 GLU QG 3.830 . 3.830 2.677 2.292 3.366 . 0 0 "[ . 1 . 2]" 1
1223 1 143 GLU HA 1 143 GLU HG3 4.090 . 4.090 3.236 2.319 3.818 . 0 0 "[ . 1 . 2]" 1
1224 1 143 GLU HA 1 146 LEU H 4.160 . 4.160 3.461 3.224 3.916 . 0 0 "[ . 1 . 2]" 1
1225 1 143 GLU HA 1 146 LEU HB2 3.730 . 3.730 3.164 2.185 3.919 0.189 8 0 "[ . 1 . 2]" 1
1226 1 143 GLU HA 1 146 LEU HB3 3.730 . 3.730 2.917 2.331 3.796 0.066 10 0 "[ . 1 . 2]" 1
1227 1 143 GLU HA 1 146 LEU MD1 7.020 . 7.020 4.472 1.838 5.305 . 0 0 "[ . 1 . 2]" 1
1228 1 143 GLU HA 1 146 LEU QD 6.000 . 6.000 3.327 1.836 4.130 . 0 0 "[ . 1 . 2]" 1
1229 1 143 GLU HA 1 146 LEU MD2 7.020 . 7.020 3.779 2.922 5.353 . 0 0 "[ . 1 . 2]" 1
1230 1 143 GLU HA 1 147 GLY H 4.880 . 4.880 3.898 2.154 5.017 0.137 2 0 "[ . 1 . 2]" 1
1231 1 143 GLU QB 1 146 LEU QD 9.450 . 9.450 4.506 3.457 5.373 . 0 0 "[ . 1 . 2]" 1
1232 1 143 GLU HB2 1 144 GLN H 4.270 . 4.270 2.994 2.505 3.974 . 0 0 "[ . 1 . 2]" 1
1233 1 143 GLU HB3 1 144 GLN H 4.270 . 4.270 3.814 3.498 4.170 . 0 0 "[ . 1 . 2]" 1
1234 1 143 GLU QG 1 146 LEU QB 7.690 . 7.690 4.451 3.917 5.116 . 0 0 "[ . 1 . 2]" 1
1235 1 143 GLU QG 1 146 LEU QD 8.380 . 8.380 4.390 2.581 5.427 . 0 0 "[ . 1 . 2]" 1
1236 1 143 GLU HG2 1 144 GLN H 6.000 . 6.000 4.591 2.582 5.389 . 0 0 "[ . 1 . 2]" 1
1237 1 143 GLU HG2 1 146 LEU MD1 10.110 . 10.110 6.263 2.670 7.987 . 0 0 "[ . 1 . 2]" 1
1238 1 143 GLU HG2 1 146 LEU MD2 10.110 . 10.110 5.457 3.697 7.254 . 0 0 "[ . 1 . 2]" 1
1239 1 143 GLU HG3 1 144 GLN H 6.000 . 6.000 4.317 2.385 5.260 . 0 0 "[ . 1 . 2]" 1
1240 1 143 GLU HG3 1 146 LEU MD1 10.110 . 10.110 6.651 3.482 8.155 . 0 0 "[ . 1 . 2]" 1
1241 1 143 GLU HG3 1 146 LEU MD2 10.110 . 10.110 5.850 3.335 8.104 . 0 0 "[ . 1 . 2]" 1
1242 1 144 GLN H 1 144 GLN HB2 4.020 . 4.020 2.535 2.098 3.610 . 0 0 "[ . 1 . 2]" 1
1243 1 144 GLN H 1 144 GLN QB 3.800 . 3.800 2.276 2.077 2.647 . 0 0 "[ . 1 . 2]" 1
1244 1 144 GLN H 1 144 GLN HB3 4.020 . 4.020 2.902 2.331 3.627 . 0 0 "[ . 1 . 2]" 1
1245 1 144 GLN H 1 145 GLU H 6.000 . 6.000 2.646 2.433 2.819 . 0 0 "[ . 1 . 2]" 1
1246 1 144 GLN HA 1 144 GLN HE21 6.000 . 6.000 4.514 3.867 5.045 . 0 0 "[ . 1 . 2]" 1
1247 1 144 GLN HA 1 144 GLN HE22 6.000 . 6.000 5.062 4.058 5.908 . 0 0 "[ . 1 . 2]" 1
1248 1 144 GLN QB 1 145 GLU H 4.030 . 4.030 2.667 2.477 3.706 . 0 0 "[ . 1 . 2]" 1
1249 1 144 GLN HB2 1 145 GLU H 4.270 . 4.270 3.462 2.571 4.072 . 0 0 "[ . 1 . 2]" 1
1250 1 144 GLN HB3 1 145 GLU H 4.270 . 4.270 3.025 2.566 4.292 0.022 9 0 "[ . 1 . 2]" 1
1251 1 144 GLN HG2 1 145 GLU H 6.000 . 6.000 4.352 3.089 4.951 . 0 0 "[ . 1 . 2]" 1
1252 1 144 GLN HG3 1 145 GLU H 6.000 . 6.000 4.385 3.037 5.177 . 0 0 "[ . 1 . 2]" 1
1253 1 145 GLU H 1 145 GLU HG2 4.090 . 4.090 2.479 1.732 4.350 0.260 2 0 "[ . 1 . 2]" 1
1254 1 145 GLU H 1 145 GLU QG 3.850 . 3.850 2.202 1.724 3.620 . 0 0 "[ . 1 . 2]" 1
1255 1 145 GLU H 1 145 GLU HG3 4.090 . 4.090 3.063 1.859 3.880 . 0 0 "[ . 1 . 2]" 1
1256 1 145 GLU H 1 146 LEU H 3.410 . 3.410 2.406 2.067 2.649 . 0 0 "[ . 1 . 2]" 1
1257 1 145 GLU HB2 1 146 LEU H 6.000 . 6.000 3.913 2.673 4.301 . 0 0 "[ . 1 . 2]" 1
1258 1 145 GLU HB3 1 146 LEU H 6.000 . 6.000 4.090 3.158 4.443 . 0 0 "[ . 1 . 2]" 1
1259 1 145 GLU QG 1 146 LEU H 6.880 . 6.880 3.022 2.186 4.451 . 0 0 "[ . 1 . 2]" 1
1260 1 146 LEU H 1 146 LEU QB 3.770 . 3.770 2.253 2.086 2.408 . 0 0 "[ . 1 . 2]" 1
1261 1 146 LEU HB2 1 147 GLY H 6.000 . 6.000 3.554 2.614 3.953 . 0 0 "[ . 1 . 2]" 1
1262 1 146 LEU HB3 1 147 GLY H 6.000 . 6.000 2.573 2.071 3.559 . 0 0 "[ . 1 . 2]" 1
1263 1 146 LEU MD1 1 147 GLY H 7.020 . 7.020 4.324 3.371 4.786 . 0 0 "[ . 1 . 2]" 1
1264 1 146 LEU MD2 1 147 GLY H 7.020 . 7.020 4.225 3.532 4.760 . 0 0 "[ . 1 . 2]" 1
1265 1 148 LEU H 1 148 LEU HB2 3.700 . 3.700 3.014 2.478 3.803 0.103 2 0 "[ . 1 . 2]" 1
1266 1 148 LEU H 1 148 LEU QB 3.540 . 3.540 2.724 2.309 3.051 . 0 0 "[ . 1 . 2]" 1
1267 1 148 LEU H 1 148 LEU HB3 3.700 . 3.700 3.313 2.585 3.784 0.084 19 0 "[ . 1 . 2]" 1
1268 1 148 LEU QB 1 149 GLU H 4.140 . 4.140 2.979 1.879 3.845 . 0 0 "[ . 1 . 2]" 1
1269 1 148 LEU HB2 1 149 GLU H 4.340 . 4.340 3.747 2.097 4.452 0.112 20 0 "[ . 1 . 2]" 1
1270 1 148 LEU HB3 1 149 GLU H 4.340 . 4.340 3.317 1.902 4.317 . 0 0 "[ . 1 . 2]" 1
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