NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382529 |
1jjr   |
4941 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jjr
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 880
_Distance_constraint_stats_list.Viol_count 1348
_Distance_constraint_stats_list.Viol_total 650.480
_Distance_constraint_stats_list.Viol_max 0.123
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0241
_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 98 LYS 0.083 0.035 18 0 "[ . 1 . 2]"
1 99 VAL 0.586 0.049 4 0 "[ . 1 . 2]"
1 100 GLU 0.562 0.049 4 0 "[ . 1 . 2]"
1 101 TYR 1.568 0.086 14 0 "[ . 1 . 2]"
1 102 SER 1.579 0.086 14 0 "[ . 1 . 2]"
1 103 GLU 2.958 0.115 19 0 "[ . 1 . 2]"
1 104 GLU 2.058 0.067 2 0 "[ . 1 . 2]"
1 105 GLU 0.345 0.029 14 0 "[ . 1 . 2]"
1 106 LEU 4.931 0.117 15 0 "[ . 1 . 2]"
1 107 LYS 1.504 0.123 9 0 "[ . 1 . 2]"
1 108 THR 2.646 0.067 2 0 "[ . 1 . 2]"
1 109 HIS 1.583 0.056 19 0 "[ . 1 . 2]"
1 110 ILE 1.591 0.069 9 0 "[ . 1 . 2]"
1 111 SER 0.444 0.057 8 0 "[ . 1 . 2]"
1 112 LYS 0.167 0.062 19 0 "[ . 1 . 2]"
1 113 GLY 0.018 0.006 2 0 "[ . 1 . 2]"
1 114 THR 0.629 0.080 10 0 "[ . 1 . 2]"
1 115 LEU 1.227 0.049 8 0 "[ . 1 . 2]"
1 116 GLY 0.869 0.044 18 0 "[ . 1 . 2]"
1 117 LYS 0.887 0.080 10 0 "[ . 1 . 2]"
1 118 PHE 0.454 0.049 18 0 "[ . 1 . 2]"
1 119 THR 1.089 0.095 15 0 "[ . 1 . 2]"
1 120 VAL 1.517 0.074 15 0 "[ . 1 . 2]"
1 121 PRO 0.377 0.051 16 0 "[ . 1 . 2]"
1 122 MET 0.542 0.095 15 0 "[ . 1 . 2]"
1 123 LEU 2.505 0.093 18 0 "[ . 1 . 2]"
1 124 LYS 0.431 0.105 17 0 "[ . 1 . 2]"
1 125 GLU 0.175 0.023 7 0 "[ . 1 . 2]"
1 126 ALA 1.736 0.058 16 0 "[ . 1 . 2]"
1 127 CYS 0.298 0.021 16 0 "[ . 1 . 2]"
1 128 ARG 0.113 0.021 16 0 "[ . 1 . 2]"
1 129 ALA 0.120 0.014 16 0 "[ . 1 . 2]"
1 130 TYR 0.725 0.051 18 0 "[ . 1 . 2]"
1 131 GLY 0.003 0.003 18 0 "[ . 1 . 2]"
1 132 LEU 0.250 0.092 7 0 "[ . 1 . 2]"
1 133 LYS 0.462 0.092 7 0 "[ . 1 . 2]"
1 134 SER 0.484 0.046 3 0 "[ . 1 . 2]"
1 135 GLY 0.385 0.057 18 0 "[ . 1 . 2]"
1 136 LEU 0.408 0.057 14 0 "[ . 1 . 2]"
1 137 LYS 1.182 0.077 11 0 "[ . 1 . 2]"
1 138 LYS 0.592 0.077 11 0 "[ . 1 . 2]"
1 139 GLN 1.200 0.105 20 0 "[ . 1 . 2]"
1 140 GLU 1.303 0.091 11 0 "[ . 1 . 2]"
1 141 LEU 3.442 0.093 18 0 "[ . 1 . 2]"
1 142 LEU 0.994 0.038 16 0 "[ . 1 . 2]"
1 143 GLU 1.626 0.091 11 0 "[ . 1 . 2]"
1 144 ALA 0.875 0.056 16 0 "[ . 1 . 2]"
1 145 LEU 4.212 0.082 11 0 "[ . 1 . 2]"
1 146 THR 2.748 0.082 11 0 "[ . 1 . 2]"
1 147 LYS 0.743 0.056 16 0 "[ . 1 . 2]"
1 148 HIS 1.153 0.075 18 0 "[ . 1 . 2]"
1 149 PHE 1.370 0.123 9 0 "[ . 1 . 2]"
1 150 GLN 0.312 0.031 8 0 "[ . 1 . 2]"
1 151 ASP 0.018 0.018 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 98 LYS H 1 98 LYS HA 2.750 . 3.700 2.580 2.269 2.942 . 0 0 "[ . 1 . 2]" 1
2 1 98 LYS H 1 98 LYS QB 2.900 . 4.000 2.723 2.032 3.416 . 0 0 "[ . 1 . 2]" 1
3 1 98 LYS H 1 98 LYS QG 3.400 . 5.000 3.181 1.901 4.221 . 0 0 "[ . 1 . 2]" 1
4 1 98 LYS HA 1 99 VAL H 2.650 . 3.500 2.634 2.144 3.533 0.033 11 0 "[ . 1 . 2]" 1
5 1 98 LYS HA 1 99 VAL QG 4.350 . 6.900 3.629 3.343 4.141 . 0 0 "[ . 1 . 2]" 1
6 1 98 LYS QB 1 99 VAL H 3.250 . 4.700 3.057 1.882 3.911 . 0 0 "[ . 1 . 2]" 1
7 1 98 LYS QB 1 99 VAL QG 4.850 . 7.900 4.056 2.485 4.638 . 0 0 "[ . 1 . 2]" 1
8 1 98 LYS QB 1 100 GLU H 2.900 . 4.000 3.348 2.579 4.035 0.035 18 0 "[ . 1 . 2]" 1
9 1 98 LYS QG 1 100 GLU H 3.900 . 6.000 4.475 2.128 5.771 . 0 0 "[ . 1 . 2]" 1
10 1 99 VAL H 1 99 VAL HA 2.400 . 3.000 2.750 2.287 2.879 . 0 0 "[ . 1 . 2]" 1
11 1 99 VAL H 1 99 VAL HB 2.400 . 3.000 2.773 2.606 3.025 0.025 17 0 "[ . 1 . 2]" 1
12 1 99 VAL H 1 99 VAL QG 3.500 . 5.200 2.483 1.962 3.107 . 0 0 "[ . 1 . 2]" 1
13 1 99 VAL H 1 100 GLU H 2.750 . 3.700 2.822 2.161 3.672 . 0 0 "[ . 1 . 2]" 1
14 1 99 VAL H 1 100 GLU QB 3.400 . 5.000 4.699 3.611 5.017 0.017 11 0 "[ . 1 . 2]" 1
15 1 99 VAL HA 1 99 VAL HB 2.400 . 3.000 2.795 2.445 3.021 0.021 20 0 "[ . 1 . 2]" 1
16 1 99 VAL HA 1 99 VAL QG 3.150 . 4.500 2.142 2.030 2.330 . 0 0 "[ . 1 . 2]" 1
17 1 99 VAL HA 1 100 GLU H 2.650 . 3.500 3.105 2.312 3.549 0.049 4 0 "[ . 1 . 2]" 1
18 1 99 VAL QG 1 100 GLU H 4.350 . 6.900 3.246 1.949 3.768 . 0 0 "[ . 1 . 2]" 1
19 1 99 VAL QG 1 100 GLU HA 4.350 . 6.900 3.999 3.049 4.566 . 0 0 "[ . 1 . 2]" 1
20 1 99 VAL QG 1 100 GLU QB 5.350 . 8.900 4.027 2.581 4.954 . 0 0 "[ . 1 . 2]" 1
21 1 99 VAL QG 1 101 TYR H 4.350 . 6.900 3.405 1.815 4.408 . 0 0 "[ . 1 . 2]" 1
22 1 99 VAL QG 1 101 TYR HB3 4.850 . 7.900 5.467 4.159 7.231 . 0 0 "[ . 1 . 2]" 1
23 1 99 VAL QG 1 125 GLU QG 4.850 . 7.900 5.768 3.518 7.532 . 0 0 "[ . 1 . 2]" 1
24 1 100 GLU H 1 100 GLU HA 2.750 . 3.700 2.659 2.272 2.870 . 0 0 "[ . 1 . 2]" 1
25 1 100 GLU H 1 100 GLU QB 2.900 . 4.000 2.585 2.083 3.154 . 0 0 "[ . 1 . 2]" 1
26 1 100 GLU H 1 100 GLU QG 3.400 . 5.000 3.572 2.293 4.203 . 0 0 "[ . 1 . 2]" 1
27 1 100 GLU H 1 101 TYR H 2.750 . 3.000 2.590 2.456 2.882 . 0 0 "[ . 1 . 2]" 1
28 1 100 GLU HA 1 100 GLU QG 2.900 . 4.000 2.342 2.050 3.340 . 0 0 "[ . 1 . 2]" 1
29 1 100 GLU HA 1 101 TYR H 2.650 . 3.500 3.261 2.441 3.549 0.049 19 0 "[ . 1 . 2]" 1
30 1 100 GLU HA 1 125 GLU QG 3.900 . 6.000 4.962 2.419 6.017 0.017 16 0 "[ . 1 . 2]" 1
31 1 100 GLU QB 1 101 TYR H 3.250 . 4.700 3.159 1.959 4.002 . 0 0 "[ . 1 . 2]" 1
32 1 100 GLU QG 1 101 TYR H 3.900 . 6.000 4.239 2.875 4.841 . 0 0 "[ . 1 . 2]" 1
33 1 100 GLU QG 1 102 SER QB 4.400 . 7.000 5.590 3.372 7.012 0.012 4 0 "[ . 1 . 2]" 1
34 1 101 TYR H 1 101 TYR HB2 2.750 . 3.700 3.330 2.472 3.723 0.023 1 0 "[ . 1 . 2]" 1
35 1 101 TYR H 1 101 TYR HB3 3.400 . 5.000 3.943 3.619 4.112 . 0 0 "[ . 1 . 2]" 1
36 1 101 TYR H 1 101 TYR QD 3.400 . 5.000 3.319 2.112 4.096 . 0 0 "[ . 1 . 2]" 1
37 1 101 TYR H 1 102 SER H 2.750 . 3.700 3.121 2.574 3.786 0.086 14 0 "[ . 1 . 2]" 1
38 1 101 TYR HA 1 101 TYR HB2 2.900 . 4.000 3.022 3.007 3.030 . 0 0 "[ . 1 . 2]" 1
39 1 101 TYR HA 1 101 TYR HB3 2.900 . 4.000 2.437 2.344 2.585 . 0 0 "[ . 1 . 2]" 1
40 1 101 TYR HA 1 101 TYR QD 2.900 . 4.000 2.503 2.003 3.058 . 0 0 "[ . 1 . 2]" 1
41 1 101 TYR HA 1 101 TYR QE 3.400 . 5.000 4.564 4.221 4.868 . 0 0 "[ . 1 . 2]" 1
42 1 101 TYR HA 1 104 GLU QG 3.400 . 5.000 5.033 5.006 5.048 0.048 1 0 "[ . 1 . 2]" 1
43 1 101 TYR HA 1 105 GLU QB 3.900 . 6.000 3.256 2.832 3.644 . 0 0 "[ . 1 . 2]" 1
44 1 101 TYR HA 1 106 LEU QD 3.850 . 5.900 2.773 2.341 3.142 . 0 0 "[ . 1 . 2]" 1
45 1 101 TYR HA 1 106 LEU HG 2.900 . 4.000 2.905 2.516 3.350 . 0 0 "[ . 1 . 2]" 1
46 1 101 TYR HA 1 126 ALA HA 3.400 . 5.000 5.018 4.926 5.032 0.032 2 0 "[ . 1 . 2]" 1
47 1 101 TYR HA 1 126 ALA MB 3.650 . 5.500 4.315 3.972 4.697 . 0 0 "[ . 1 . 2]" 1
48 1 101 TYR HB2 1 101 TYR QD 2.900 . 4.000 2.334 2.280 2.744 . 0 0 "[ . 1 . 2]" 1
49 1 101 TYR HB2 1 101 TYR QE 3.400 . 5.000 4.398 4.383 4.510 . 0 0 "[ . 1 . 2]" 1
50 1 101 TYR HB2 1 102 SER H 3.400 . 5.000 4.399 4.252 4.520 . 0 0 "[ . 1 . 2]" 1
51 1 101 TYR HB2 1 106 LEU QD 4.350 . 6.900 3.128 2.679 4.110 . 0 0 "[ . 1 . 2]" 1
52 1 101 TYR HB2 1 126 ALA HA 3.400 . 5.000 2.574 2.120 3.845 . 0 0 "[ . 1 . 2]" 1
53 1 101 TYR HB2 1 126 ALA MB 3.650 . 5.500 2.995 2.278 4.119 . 0 0 "[ . 1 . 2]" 1
54 1 101 TYR HB3 1 101 TYR QD 2.900 . 4.000 2.576 2.382 2.755 . 0 0 "[ . 1 . 2]" 1
55 1 101 TYR HB3 1 102 SER H 3.400 . 5.000 4.276 3.417 4.488 . 0 0 "[ . 1 . 2]" 1
56 1 101 TYR HB3 1 106 LEU QD 4.350 . 6.900 1.903 1.773 2.850 0.027 15 0 "[ . 1 . 2]" 1
57 1 101 TYR HB3 1 106 LEU HG 2.900 . 4.000 3.176 2.702 4.050 0.050 14 0 "[ . 1 . 2]" 1
58 1 101 TYR HB3 1 126 ALA HA 3.400 . 5.000 2.909 2.584 3.294 . 0 0 "[ . 1 . 2]" 1
59 1 101 TYR HB3 1 126 ALA MB 3.650 . 5.500 2.290 1.999 2.823 . 0 0 "[ . 1 . 2]" 1
60 1 101 TYR QD 1 102 SER H 4.400 . 7.000 4.677 4.156 4.956 . 0 0 "[ . 1 . 2]" 1
61 1 101 TYR QD 1 105 GLU QB 4.900 . 8.000 3.305 2.779 3.974 . 0 0 "[ . 1 . 2]" 1
62 1 101 TYR QD 1 106 LEU HA 3.900 . 6.000 4.558 4.108 5.632 . 0 0 "[ . 1 . 2]" 1
63 1 101 TYR QD 1 106 LEU QD 4.850 . 7.900 2.134 1.855 3.128 . 0 0 "[ . 1 . 2]" 1
64 1 101 TYR QD 1 106 LEU HG 3.900 . 6.000 3.592 2.818 4.675 . 0 0 "[ . 1 . 2]" 1
65 1 101 TYR QD 1 122 MET QB 5.400 . 9.000 4.917 4.280 5.429 . 0 0 "[ . 1 . 2]" 1
66 1 101 TYR QD 1 126 ALA HA 3.400 . 5.000 3.708 3.135 4.311 . 0 0 "[ . 1 . 2]" 1
67 1 101 TYR QD 1 126 ALA MB 4.150 . 6.500 3.157 2.365 3.635 . 0 0 "[ . 1 . 2]" 1
68 1 101 TYR QE 1 106 LEU QD 5.350 . 8.900 3.711 2.972 4.147 . 0 0 "[ . 1 . 2]" 1
69 1 101 TYR QE 1 122 MET QB 4.400 . 7.000 3.229 2.158 4.071 . 0 0 "[ . 1 . 2]" 1
70 1 101 TYR QE 1 122 MET ME 4.150 . 6.500 4.646 2.949 5.760 . 0 0 "[ . 1 . 2]" 1
71 1 101 TYR QE 1 125 GLU QB 4.400 . 7.000 2.862 1.985 3.830 . 0 0 "[ . 1 . 2]" 1
72 1 101 TYR QE 1 125 GLU QG 4.400 . 7.000 3.552 2.172 5.526 . 0 0 "[ . 1 . 2]" 1
73 1 101 TYR QE 1 126 ALA HA 3.900 . 6.000 5.638 5.193 6.009 0.009 1 0 "[ . 1 . 2]" 1
74 1 101 TYR QE 1 126 ALA MB 4.650 . 7.500 4.304 3.695 4.744 . 0 0 "[ . 1 . 2]" 1
75 1 102 SER H 1 102 SER HA 2.750 . 3.700 2.855 2.849 2.864 . 0 0 "[ . 1 . 2]" 1
76 1 102 SER H 1 102 SER QB 3.250 . 4.700 2.680 2.453 3.294 . 0 0 "[ . 1 . 2]" 1
77 1 102 SER H 1 103 GLU H . . 3.000 2.539 1.792 2.657 0.008 14 0 "[ . 1 . 2]" 1
78 1 102 SER H 1 104 GLU QG 3.400 . 5.000 3.770 3.664 4.052 . 0 0 "[ . 1 . 2]" 1
79 1 102 SER H 1 105 GLU QB 3.250 . 4.700 3.966 3.515 4.222 . 0 0 "[ . 1 . 2]" 1
80 1 102 SER H 1 106 LEU QD 4.850 . 7.900 3.671 2.837 3.879 . 0 0 "[ . 1 . 2]" 1
81 1 102 SER H 1 106 LEU HG 2.900 . 4.000 3.973 2.610 4.062 0.062 4 0 "[ . 1 . 2]" 1
82 1 102 SER HA 1 103 GLU H 2.650 . 3.500 3.530 3.513 3.540 0.040 19 0 "[ . 1 . 2]" 1
83 1 102 SER HA 1 130 TYR QE 3.900 . 6.000 4.502 3.430 5.810 . 0 0 "[ . 1 . 2]" 1
84 1 102 SER QB 1 103 GLU H 2.900 . 4.000 3.162 2.883 3.491 . 0 0 "[ . 1 . 2]" 1
85 1 102 SER QB 1 103 GLU QG 4.400 . 7.000 3.770 2.745 5.519 . 0 0 "[ . 1 . 2]" 1
86 1 102 SER QB 1 104 GLU H 3.900 . 6.000 3.780 3.352 4.454 . 0 0 "[ . 1 . 2]" 1
87 1 103 GLU H 1 103 GLU HA 2.750 . 3.700 2.713 2.696 2.728 . 0 0 "[ . 1 . 2]" 1
88 1 103 GLU H 1 103 GLU HB2 2.900 . 4.000 3.823 3.197 4.115 0.115 19 0 "[ . 1 . 2]" 1
89 1 103 GLU H 1 103 GLU QG 3.400 . 5.000 3.314 2.692 4.227 . 0 0 "[ . 1 . 2]" 1
90 1 103 GLU H 1 104 GLU H 2.750 . 3.700 2.160 1.995 2.577 . 0 0 "[ . 1 . 2]" 1
91 1 103 GLU H 1 104 GLU QG 3.400 . 5.000 2.714 2.611 3.021 . 0 0 "[ . 1 . 2]" 1
92 1 103 GLU HA 1 103 GLU HB2 2.400 . 3.000 2.569 2.357 2.912 . 0 0 "[ . 1 . 2]" 1
93 1 103 GLU HA 1 103 GLU HB3 2.900 . 4.000 2.599 2.350 3.025 . 0 0 "[ . 1 . 2]" 1
94 1 103 GLU HA 1 103 GLU QG 3.400 . 5.000 2.960 2.034 3.474 . 0 0 "[ . 1 . 2]" 1
95 1 103 GLU HA 1 104 GLU H 3.400 . 5.000 3.530 3.503 3.582 . 0 0 "[ . 1 . 2]" 1
96 1 103 GLU HA 1 106 LEU H 2.650 . 3.500 3.470 3.394 3.511 0.011 1 0 "[ . 1 . 2]" 1
97 1 103 GLU HA 1 106 LEU HB2 2.900 . 4.000 2.304 2.137 2.442 . 0 0 "[ . 1 . 2]" 1
98 1 103 GLU HA 1 106 LEU HB3 2.900 . 4.000 3.779 3.632 3.913 . 0 0 "[ . 1 . 2]" 1
99 1 103 GLU HA 1 106 LEU QD 3.850 . 5.900 1.897 1.861 1.956 . 0 0 "[ . 1 . 2]" 1
100 1 103 GLU HA 1 106 LEU HG 2.400 . 3.000 3.031 3.016 3.060 0.060 14 0 "[ . 1 . 2]" 1
101 1 103 GLU HA 1 149 PHE QD 4.400 . 7.000 4.163 3.358 4.965 . 0 0 "[ . 1 . 2]" 1
102 1 103 GLU HA 1 149 PHE QE 3.400 . 5.000 3.647 2.144 5.064 0.064 9 0 "[ . 1 . 2]" 1
103 1 103 GLU HB2 1 149 PHE QE 4.400 . 7.000 2.762 1.796 4.537 0.004 5 0 "[ . 1 . 2]" 1
104 1 103 GLU HB3 1 149 PHE QE 3.900 . 6.000 3.289 2.267 4.593 . 0 0 "[ . 1 . 2]" 1
105 1 103 GLU QG 1 106 LEU QD 4.850 . 7.900 3.793 2.529 4.530 . 0 0 "[ . 1 . 2]" 1
106 1 103 GLU QG 1 107 LYS QD 3.900 . 6.000 5.414 3.721 6.035 0.035 13 0 "[ . 1 . 2]" 1
107 1 103 GLU QG 1 107 LYS QE 3.900 . 6.000 5.768 4.977 6.026 0.026 5 0 "[ . 1 . 2]" 1
108 1 103 GLU QG 1 107 LYS QG 4.400 . 7.000 4.455 2.847 6.224 . 0 0 "[ . 1 . 2]" 1
109 1 103 GLU QG 1 149 PHE QE 3.900 . 6.000 2.799 1.873 4.653 . 0 0 "[ . 1 . 2]" 1
110 1 104 GLU H 1 104 GLU HA 2.750 . 3.700 2.781 2.760 2.794 . 0 0 "[ . 1 . 2]" 1
111 1 104 GLU H 1 104 GLU QB 2.900 . 4.000 2.650 2.582 2.706 . 0 0 "[ . 1 . 2]" 1
112 1 104 GLU H 1 104 GLU QG 3.400 . 5.000 1.911 1.872 1.942 . 0 0 "[ . 1 . 2]" 1
113 1 104 GLU H 1 105 GLU H 2.750 . 3.700 2.940 2.879 3.028 . 0 0 "[ . 1 . 2]" 1
114 1 104 GLU HA 1 104 GLU QG 2.900 . 4.000 3.330 3.310 3.354 . 0 0 "[ . 1 . 2]" 1
115 1 104 GLU HA 1 105 GLU H 2.750 . 3.700 3.577 3.570 3.583 . 0 0 "[ . 1 . 2]" 1
116 1 104 GLU HA 1 107 LYS H 2.650 . 3.500 3.526 3.516 3.534 0.034 3 0 "[ . 1 . 2]" 1
117 1 104 GLU HA 1 108 THR H 2.900 . 4.000 4.045 4.024 4.067 0.067 2 0 "[ . 1 . 2]" 1
118 1 104 GLU QG 1 106 LEU H 3.400 . 5.000 3.964 3.892 4.098 . 0 0 "[ . 1 . 2]" 1
119 1 104 GLU QG 1 106 LEU QD 4.850 . 7.900 4.799 4.658 4.939 . 0 0 "[ . 1 . 2]" 1
120 1 105 GLU H 1 105 GLU HA 2.400 . 3.000 2.804 2.798 2.813 . 0 0 "[ . 1 . 2]" 1
121 1 105 GLU H 1 106 LEU H 2.750 . 3.700 2.629 2.605 2.648 . 0 0 "[ . 1 . 2]" 1
122 1 105 GLU HA 1 106 LEU H 2.900 . 4.000 3.516 3.501 3.526 . 0 0 "[ . 1 . 2]" 1
123 1 105 GLU HA 1 108 THR H 2.650 . 3.500 3.516 3.504 3.529 0.029 14 0 "[ . 1 . 2]" 1
124 1 105 GLU HA 1 108 THR HB 2.400 . 3.000 2.871 2.661 3.003 0.003 11 0 "[ . 1 . 2]" 1
125 1 105 GLU HA 1 108 THR MG 3.650 . 5.500 3.909 2.746 4.123 . 0 0 "[ . 1 . 2]" 1
126 1 105 GLU QB 1 106 LEU H 3.250 . 4.700 2.636 2.569 2.699 . 0 0 "[ . 1 . 2]" 1
127 1 105 GLU QB 1 109 HIS HD2 3.900 . 6.000 3.529 3.121 3.995 . 0 0 "[ . 1 . 2]" 1
128 1 105 GLU QG 1 106 LEU QD 4.850 . 7.900 4.590 4.261 5.018 . 0 0 "[ . 1 . 2]" 1
129 1 105 GLU QG 1 109 HIS HD2 3.400 . 5.000 4.151 3.437 5.017 0.017 9 0 "[ . 1 . 2]" 1
130 1 106 LEU H 1 106 LEU HA 2.750 . 3.700 2.797 2.793 2.802 . 0 0 "[ . 1 . 2]" 1
131 1 106 LEU H 1 106 LEU HB2 2.750 . 3.700 2.609 2.537 2.681 . 0 0 "[ . 1 . 2]" 1
132 1 106 LEU H 1 106 LEU QD 3.500 . 5.200 2.953 2.905 2.993 . 0 0 "[ . 1 . 2]" 1
133 1 106 LEU H 1 106 LEU HG 2.400 . 3.000 1.980 1.887 2.111 . 0 0 "[ . 1 . 2]" 1
134 1 106 LEU H 1 108 THR H 3.000 . 4.200 4.158 4.108 4.203 0.003 19 0 "[ . 1 . 2]" 1
135 1 106 LEU H 1 109 HIS H 3.400 . 5.000 4.558 4.516 4.606 . 0 0 "[ . 1 . 2]" 1
136 1 106 LEU H 1 115 LEU QD 4.350 . 6.900 4.926 4.577 5.293 . 0 0 "[ . 1 . 2]" 1
137 1 106 LEU HA 1 106 LEU HB2 2.400 . 3.000 3.013 3.010 3.016 0.016 13 0 "[ . 1 . 2]" 1
138 1 106 LEU HA 1 106 LEU HB3 2.900 . 4.000 2.417 2.388 2.446 . 0 0 "[ . 1 . 2]" 1
139 1 106 LEU HA 1 106 LEU QD 3.500 . 5.200 2.157 1.965 2.391 . 0 0 "[ . 1 . 2]" 1
140 1 106 LEU HA 1 106 LEU HG 2.400 . 3.000 3.086 3.057 3.117 0.117 15 0 "[ . 1 . 2]" 1
141 1 106 LEU HA 1 107 LYS H 2.750 . 3.700 3.566 3.549 3.577 . 0 0 "[ . 1 . 2]" 1
142 1 106 LEU HA 1 108 THR H 3.150 . 4.500 4.518 4.452 4.539 0.039 19 0 "[ . 1 . 2]" 1
143 1 106 LEU HA 1 109 HIS H 2.650 . 3.500 3.370 3.312 3.448 . 0 0 "[ . 1 . 2]" 1
144 1 106 LEU HA 1 109 HIS HB2 2.650 . 3.500 2.550 2.478 2.642 . 0 0 "[ . 1 . 2]" 1
145 1 106 LEU HA 1 109 HIS HB3 2.900 . 4.000 4.036 4.007 4.047 0.047 7 0 "[ . 1 . 2]" 1
146 1 106 LEU HA 1 109 HIS HD2 2.400 . 3.000 2.133 1.977 2.383 . 0 0 "[ . 1 . 2]" 1
147 1 106 LEU HA 1 115 LEU HA 3.400 . 5.000 4.968 4.703 5.033 0.033 6 0 "[ . 1 . 2]" 1
148 1 106 LEU HA 1 115 LEU QD 4.350 . 6.900 2.778 2.546 3.160 . 0 0 "[ . 1 . 2]" 1
149 1 106 LEU HB2 1 115 LEU QD 4.350 . 6.900 4.235 3.838 4.717 . 0 0 "[ . 1 . 2]" 1
150 1 106 LEU HB3 1 106 LEU HG 2.900 . 4.000 3.012 3.006 3.016 . 0 0 "[ . 1 . 2]" 1
151 1 106 LEU HB3 1 107 LYS H 2.750 . 3.700 3.546 3.451 3.640 . 0 0 "[ . 1 . 2]" 1
152 1 106 LEU QD 1 109 HIS H 4.350 . 6.900 4.883 4.753 5.018 . 0 0 "[ . 1 . 2]" 1
153 1 106 LEU QD 1 109 HIS HB2 4.350 . 6.900 3.824 3.677 3.992 . 0 0 "[ . 1 . 2]" 1
154 1 106 LEU QD 1 109 HIS HB3 4.350 . 6.900 4.715 4.561 4.890 . 0 0 "[ . 1 . 2]" 1
155 1 106 LEU QD 1 109 HIS HD2 4.350 . 6.900 2.428 2.140 2.756 . 0 0 "[ . 1 . 2]" 1
156 1 106 LEU QD 1 115 LEU HA 4.850 . 7.900 4.697 4.491 4.856 . 0 0 "[ . 1 . 2]" 1
157 1 106 LEU QD 1 115 LEU QD 5.300 . 8.800 2.345 1.908 2.734 . 0 0 "[ . 1 . 2]" 1
158 1 106 LEU QD 1 118 PHE QE 5.350 . 8.900 4.110 2.935 5.041 . 0 0 "[ . 1 . 2]" 1
159 1 106 LEU QD 1 130 TYR QD 5.850 . 9.900 3.277 2.884 3.706 . 0 0 "[ . 1 . 2]" 1
160 1 106 LEU QD 1 130 TYR QE 4.850 . 7.900 2.159 1.909 2.938 . 0 0 "[ . 1 . 2]" 1
161 1 106 LEU QD 1 148 HIS HB2 4.850 . 7.900 5.938 5.176 6.476 . 0 0 "[ . 1 . 2]" 1
162 1 106 LEU QD 1 148 HIS HB3 4.350 . 6.900 5.051 4.284 5.482 . 0 0 "[ . 1 . 2]" 1
163 1 106 LEU QD 1 149 PHE HZ 5.350 . 8.900 6.369 4.823 7.346 . 0 0 "[ . 1 . 2]" 1
164 1 106 LEU HG 1 126 ALA MB 3.650 . 5.500 3.976 3.733 4.191 . 0 0 "[ . 1 . 2]" 1
165 1 107 LYS H 1 107 LYS HA 2.750 . 3.700 2.776 2.768 2.785 . 0 0 "[ . 1 . 2]" 1
166 1 107 LYS H 1 107 LYS QB 2.900 . 4.000 2.114 2.049 2.236 . 0 0 "[ . 1 . 2]" 1
167 1 107 LYS H 1 107 LYS QG 3.400 . 5.000 3.356 2.923 3.963 . 0 0 "[ . 1 . 2]" 1
168 1 107 LYS H 1 108 THR H 2.750 . 3.700 2.790 2.765 2.817 . 0 0 "[ . 1 . 2]" 1
169 1 107 LYS H 1 109 HIS H 3.000 . 4.200 4.103 4.067 4.155 . 0 0 "[ . 1 . 2]" 1
170 1 107 LYS HA 1 107 LYS QD 2.900 . 4.000 2.947 1.992 3.911 . 0 0 "[ . 1 . 2]" 1
171 1 107 LYS HA 1 107 LYS QG 2.900 . 4.000 2.332 2.153 2.619 . 0 0 "[ . 1 . 2]" 1
172 1 107 LYS HA 1 108 THR H 3.400 . 5.000 3.544 3.534 3.550 . 0 0 "[ . 1 . 2]" 1
173 1 107 LYS HA 1 109 HIS H 3.400 . 5.000 4.396 4.322 4.500 . 0 0 "[ . 1 . 2]" 1
174 1 107 LYS HA 1 110 ILE H 2.650 . 3.500 3.414 3.289 3.504 0.004 1 0 "[ . 1 . 2]" 1
175 1 107 LYS HA 1 110 ILE MD 3.150 . 4.500 2.319 1.842 4.271 . 0 0 "[ . 1 . 2]" 1
176 1 107 LYS HA 1 110 ILE MG 3.650 . 5.500 3.811 1.906 4.198 . 0 0 "[ . 1 . 2]" 1
177 1 107 LYS HA 1 111 SER H 3.000 . 4.200 3.962 3.656 4.210 0.010 7 0 "[ . 1 . 2]" 1
178 1 107 LYS HA 1 149 PHE HB2 3.400 . 5.000 4.340 3.631 5.003 0.003 8 0 "[ . 1 . 2]" 1
179 1 107 LYS HA 1 149 PHE HB3 3.400 . 5.000 3.689 2.981 4.060 . 0 0 "[ . 1 . 2]" 1
180 1 107 LYS QB 1 108 THR H 3.250 . 4.700 2.534 2.359 2.625 . 0 0 "[ . 1 . 2]" 1
181 1 107 LYS QD 1 149 PHE HA 3.400 . 5.000 4.895 4.058 5.027 0.027 5 0 "[ . 1 . 2]" 1
182 1 107 LYS QD 1 149 PHE HB2 3.400 . 5.000 4.424 3.184 5.021 0.021 12 0 "[ . 1 . 2]" 1
183 1 107 LYS QD 1 149 PHE HB3 3.900 . 6.000 3.410 1.976 4.252 . 0 0 "[ . 1 . 2]" 1
184 1 107 LYS QE 1 149 PHE HA 2.900 . 4.000 3.960 3.614 4.123 0.123 9 0 "[ . 1 . 2]" 1
185 1 107 LYS QE 1 149 PHE HB2 3.400 . 5.000 4.045 1.951 5.010 0.010 8 0 "[ . 1 . 2]" 1
186 1 107 LYS QG 1 149 PHE HA 3.400 . 5.000 4.876 4.582 5.020 0.020 17 0 "[ . 1 . 2]" 1
187 1 107 LYS QG 1 149 PHE HB2 3.400 . 5.000 3.891 3.343 4.426 . 0 0 "[ . 1 . 2]" 1
188 1 107 LYS QG 1 149 PHE HB3 3.900 . 6.000 3.253 2.488 3.826 . 0 0 "[ . 1 . 2]" 1
189 1 108 THR H 1 108 THR HA 2.750 . 3.700 2.802 2.793 2.812 . 0 0 "[ . 1 . 2]" 1
190 1 108 THR H 1 108 THR HB 2.400 . 3.000 2.660 2.102 2.828 . 0 0 "[ . 1 . 2]" 1
191 1 108 THR H 1 108 THR MG 3.650 . 5.500 3.661 3.091 3.761 . 0 0 "[ . 1 . 2]" 1
192 1 108 THR H 1 110 ILE H 3.000 . 4.200 4.223 4.214 4.248 0.048 8 0 "[ . 1 . 2]" 1
193 1 108 THR HA 1 108 THR HB 2.400 . 3.000 2.990 2.772 3.024 0.024 12 0 "[ . 1 . 2]" 1
194 1 108 THR HA 1 108 THR MG 3.150 . 4.500 2.368 2.187 3.095 . 0 0 "[ . 1 . 2]" 1
195 1 108 THR HA 1 109 HIS H 2.750 . 3.700 3.523 3.511 3.535 . 0 0 "[ . 1 . 2]" 1
196 1 108 THR HA 1 111 SER H 2.650 . 3.500 3.511 3.497 3.526 0.026 16 0 "[ . 1 . 2]" 1
197 1 108 THR HA 1 112 LYS QD 3.900 . 6.000 4.866 3.102 5.898 . 0 0 "[ . 1 . 2]" 1
198 1 108 THR HA 1 112 LYS QE 3.900 . 6.000 5.116 4.118 6.008 0.008 15 0 "[ . 1 . 2]" 1
199 1 108 THR HB 1 109 HIS H 2.750 . 3.700 2.605 2.469 3.320 . 0 0 "[ . 1 . 2]" 1
200 1 108 THR MG 1 109 HIS H 3.650 . 5.500 3.553 2.036 3.852 . 0 0 "[ . 1 . 2]" 1
201 1 108 THR MG 1 109 HIS HA 3.650 . 5.500 3.903 2.935 4.232 . 0 0 "[ . 1 . 2]" 1
202 1 108 THR MG 1 111 SER QB 4.150 . 6.500 3.866 3.397 4.639 . 0 0 "[ . 1 . 2]" 1
203 1 108 THR MG 1 112 LYS H 3.650 . 5.500 4.134 3.775 5.562 0.062 19 0 "[ . 1 . 2]" 1
204 1 108 THR MG 1 112 LYS QD 3.650 . 5.500 2.951 1.934 3.802 . 0 0 "[ . 1 . 2]" 1
205 1 108 THR MG 1 112 LYS QE 4.150 . 6.500 3.151 2.301 4.811 . 0 0 "[ . 1 . 2]" 1
206 1 109 HIS H 1 109 HIS HA 2.750 . 3.700 2.803 2.797 2.809 . 0 0 "[ . 1 . 2]" 1
207 1 109 HIS H 1 109 HIS HB2 2.750 . 3.700 2.539 2.368 2.646 . 0 0 "[ . 1 . 2]" 1
208 1 109 HIS H 1 109 HIS HB3 2.750 . 3.700 3.580 3.565 3.592 . 0 0 "[ . 1 . 2]" 1
209 1 109 HIS H 1 109 HIS HD2 3.400 . 5.000 4.010 3.860 4.169 . 0 0 "[ . 1 . 2]" 1
210 1 109 HIS H 1 110 ILE H 2.750 . 3.700 2.727 2.695 2.763 . 0 0 "[ . 1 . 2]" 1
211 1 109 HIS H 1 111 SER H 3.000 . 4.200 4.150 3.969 4.256 0.056 19 0 "[ . 1 . 2]" 1
212 1 109 HIS H 1 112 LYS QG 3.900 . 6.000 5.697 4.659 6.021 0.021 16 0 "[ . 1 . 2]" 1
213 1 109 HIS HA 1 109 HIS HB2 2.900 . 4.000 3.030 3.021 3.033 . 0 0 "[ . 1 . 2]" 1
214 1 109 HIS HA 1 109 HIS HB3 2.900 . 4.000 2.461 2.412 2.550 . 0 0 "[ . 1 . 2]" 1
215 1 109 HIS HA 1 112 LYS QB 3.400 . 5.000 3.736 3.138 4.961 . 0 0 "[ . 1 . 2]" 1
216 1 109 HIS HA 1 112 LYS QD 3.400 . 5.000 4.323 3.145 4.877 . 0 0 "[ . 1 . 2]" 1
217 1 109 HIS HA 1 115 LEU HA 3.150 . 4.500 4.504 4.335 4.534 0.034 10 0 "[ . 1 . 2]" 1
218 1 109 HIS HA 1 115 LEU QD 4.850 . 7.900 4.534 4.165 4.953 . 0 0 "[ . 1 . 2]" 1
219 1 109 HIS HB2 1 109 HIS HD2 2.400 . 3.000 2.797 2.749 2.863 . 0 0 "[ . 1 . 2]" 1
220 1 109 HIS HB2 1 110 ILE H 3.400 . 5.000 2.385 2.292 2.488 . 0 0 "[ . 1 . 2]" 1
221 1 109 HIS HB2 1 110 ILE MD 4.150 . 6.500 4.391 3.974 5.556 . 0 0 "[ . 1 . 2]" 1
222 1 109 HIS HB2 1 110 ILE MG 4.650 . 7.500 5.277 4.487 5.499 . 0 0 "[ . 1 . 2]" 1
223 1 109 HIS HB2 1 115 LEU H 3.400 . 5.000 3.799 3.661 4.000 . 0 0 "[ . 1 . 2]" 1
224 1 109 HIS HB2 1 115 LEU HA 2.900 . 4.000 3.391 3.132 3.523 . 0 0 "[ . 1 . 2]" 1
225 1 109 HIS HB2 1 115 LEU HB2 3.400 . 5.000 2.361 2.246 2.671 . 0 0 "[ . 1 . 2]" 1
226 1 109 HIS HB2 1 115 LEU HB3 2.900 . 4.000 4.020 4.001 4.049 0.049 8 0 "[ . 1 . 2]" 1
227 1 109 HIS HB2 1 115 LEU QD 4.350 . 6.900 2.431 1.951 2.855 . 0 0 "[ . 1 . 2]" 1
228 1 109 HIS HB3 1 109 HIS HD2 2.900 . 4.000 3.369 3.268 3.453 . 0 0 "[ . 1 . 2]" 1
229 1 109 HIS HB3 1 112 LYS QB 4.400 . 7.000 5.694 5.145 6.882 . 0 0 "[ . 1 . 2]" 1
230 1 109 HIS HB3 1 115 LEU H 3.400 . 5.000 2.366 2.155 2.671 . 0 0 "[ . 1 . 2]" 1
231 1 109 HIS HB3 1 115 LEU HA 2.900 . 4.000 2.196 2.068 2.303 . 0 0 "[ . 1 . 2]" 1
232 1 109 HIS HB3 1 115 LEU HB2 2.900 . 4.000 2.032 1.926 2.250 . 0 0 "[ . 1 . 2]" 1
233 1 109 HIS HB3 1 115 LEU HB3 3.400 . 5.000 3.453 3.213 3.676 . 0 0 "[ . 1 . 2]" 1
234 1 109 HIS HB3 1 115 LEU QD 4.350 . 6.900 2.781 2.253 3.139 . 0 0 "[ . 1 . 2]" 1
235 1 109 HIS HB3 1 115 LEU HG 3.400 . 5.000 3.747 2.286 4.520 . 0 0 "[ . 1 . 2]" 1
236 1 110 ILE H 1 110 ILE HA 2.750 . 3.700 2.791 2.781 2.805 . 0 0 "[ . 1 . 2]" 1
237 1 110 ILE H 1 115 LEU QD 4.850 . 7.900 3.373 2.488 4.047 . 0 0 "[ . 1 . 2]" 1
238 1 110 ILE HA 1 110 ILE HB 2.400 . 3.000 2.963 2.545 3.028 0.028 9 0 "[ . 1 . 2]" 1
239 1 110 ILE HA 1 110 ILE MD 3.650 . 5.500 3.850 3.555 3.906 . 0 0 "[ . 1 . 2]" 1
240 1 110 ILE HA 1 110 ILE QG 2.900 . 4.000 2.424 2.086 2.498 . 0 0 "[ . 1 . 2]" 1
241 1 110 ILE HA 1 111 SER HA 3.400 . 5.000 4.847 4.751 4.878 . 0 0 "[ . 1 . 2]" 1
242 1 110 ILE HA 1 113 GLY H 3.400 . 5.000 4.488 3.682 5.006 0.006 2 0 "[ . 1 . 2]" 1
243 1 110 ILE HA 1 115 LEU H 3.400 . 5.000 3.950 3.051 4.478 . 0 0 "[ . 1 . 2]" 1
244 1 110 ILE HA 1 115 LEU QD 4.350 . 6.900 3.236 2.739 3.980 . 0 0 "[ . 1 . 2]" 1
245 1 110 ILE HA 1 146 THR MG 4.150 . 6.500 5.223 3.900 6.519 0.019 16 0 "[ . 1 . 2]" 1
246 1 110 ILE HB 1 110 ILE MD 3.150 . 4.500 2.203 2.073 2.375 . 0 0 "[ . 1 . 2]" 1
247 1 110 ILE HB 1 111 SER H 2.750 . 3.700 2.669 2.237 3.757 0.057 8 0 "[ . 1 . 2]" 1
248 1 110 ILE HB 1 115 LEU QD 4.350 . 6.900 4.197 2.506 5.113 . 0 0 "[ . 1 . 2]" 1
249 1 110 ILE HB 1 146 THR MG 4.150 . 6.500 5.395 4.466 6.502 0.002 7 0 "[ . 1 . 2]" 1
250 1 110 ILE HB 1 149 PHE HB2 3.400 . 5.000 4.951 4.747 5.027 0.027 17 0 "[ . 1 . 2]" 1
251 1 110 ILE HB 1 149 PHE HB3 2.900 . 4.000 4.004 3.872 4.069 0.069 9 0 "[ . 1 . 2]" 1
252 1 110 ILE MD 1 111 SER H 4.150 . 6.500 4.287 4.020 4.856 . 0 0 "[ . 1 . 2]" 1
253 1 110 ILE MD 1 115 LEU QD 5.100 . 8.400 3.097 2.610 3.616 . 0 0 "[ . 1 . 2]" 1
254 1 110 ILE MD 1 146 THR HA 3.650 . 5.500 2.399 1.832 3.019 . 0 0 "[ . 1 . 2]" 1
255 1 110 ILE MD 1 146 THR HB 3.650 . 5.500 4.772 3.485 5.343 . 0 0 "[ . 1 . 2]" 1
256 1 110 ILE MD 1 146 THR MG 4.400 . 7.000 4.005 2.055 4.768 . 0 0 "[ . 1 . 2]" 1
257 1 110 ILE MD 1 149 PHE HA 3.650 . 5.500 4.403 4.130 4.664 . 0 0 "[ . 1 . 2]" 1
258 1 110 ILE MD 1 149 PHE HB2 3.650 . 5.500 2.482 2.026 3.562 . 0 0 "[ . 1 . 2]" 1
259 1 110 ILE MD 1 149 PHE HB3 3.650 . 5.500 2.261 1.914 2.808 . 0 0 "[ . 1 . 2]" 1
260 1 110 ILE MD 1 149 PHE QD 4.150 . 6.500 3.156 2.207 4.391 . 0 0 "[ . 1 . 2]" 1
261 1 110 ILE MD 1 150 GLN H 4.150 . 6.500 4.722 3.979 5.193 . 0 0 "[ . 1 . 2]" 1
262 1 110 ILE MD 1 150 GLN HA 3.650 . 5.500 4.746 3.068 5.507 0.007 11 0 "[ . 1 . 2]" 1
263 1 110 ILE MD 1 150 GLN QB 4.150 . 6.500 4.827 1.839 5.795 . 0 0 "[ . 1 . 2]" 1
264 1 110 ILE MD 1 150 GLN QG 4.150 . 6.500 5.192 2.020 6.503 0.003 9 0 "[ . 1 . 2]" 1
265 1 110 ILE QG 1 115 LEU QD 4.850 . 7.900 2.371 1.792 3.459 0.008 13 0 "[ . 1 . 2]" 1
266 1 110 ILE QG 1 146 THR HA 3.900 . 6.000 2.730 2.077 3.725 . 0 0 "[ . 1 . 2]" 1
267 1 110 ILE QG 1 146 THR MG 4.150 . 6.500 4.087 3.346 4.747 . 0 0 "[ . 1 . 2]" 1
268 1 110 ILE MG 1 111 SER H 3.650 . 5.500 3.225 1.963 3.605 . 0 0 "[ . 1 . 2]" 1
269 1 110 ILE MG 1 111 SER HA 3.650 . 5.500 3.446 2.818 3.749 . 0 0 "[ . 1 . 2]" 1
270 1 110 ILE MG 1 111 SER QB 4.150 . 6.500 4.380 3.041 4.824 . 0 0 "[ . 1 . 2]" 1
271 1 110 ILE MG 1 115 LEU QD 5.600 . 9.400 3.707 3.207 4.373 . 0 0 "[ . 1 . 2]" 1
272 1 110 ILE MG 1 146 THR HA 3.650 . 5.500 2.751 2.053 4.853 . 0 0 "[ . 1 . 2]" 1
273 1 110 ILE MG 1 146 THR MG 3.900 . 6.000 3.141 1.979 5.668 . 0 0 "[ . 1 . 2]" 1
274 1 110 ILE MG 1 149 PHE HA 3.900 . 6.000 5.447 5.085 5.797 . 0 0 "[ . 1 . 2]" 1
275 1 110 ILE MG 1 149 PHE HB2 4.150 . 6.500 4.244 3.966 4.592 . 0 0 "[ . 1 . 2]" 1
276 1 110 ILE MG 1 149 PHE HB3 4.150 . 6.500 3.368 2.777 3.933 . 0 0 "[ . 1 . 2]" 1
277 1 110 ILE MG 1 150 GLN HA 3.650 . 5.500 3.992 3.133 4.949 . 0 0 "[ . 1 . 2]" 1
278 1 110 ILE MG 1 150 GLN QB 4.650 . 7.500 4.371 2.306 6.139 . 0 0 "[ . 1 . 2]" 1
279 1 110 ILE MG 1 150 GLN QG 4.150 . 6.500 4.447 2.316 5.723 . 0 0 "[ . 1 . 2]" 1
280 1 111 SER H 1 111 SER HA 2.750 . 3.700 2.771 2.759 2.837 . 0 0 "[ . 1 . 2]" 1
281 1 111 SER H 1 111 SER QB 2.900 . 4.000 2.422 2.046 2.868 . 0 0 "[ . 1 . 2]" 1
282 1 111 SER QB 1 112 LYS H 3.250 . 4.000 2.286 1.954 4.027 0.027 19 0 "[ . 1 . 2]" 1
283 1 112 LYS H 1 112 LYS HA 2.750 . 3.700 2.804 2.799 2.810 . 0 0 "[ . 1 . 2]" 1
284 1 112 LYS H 1 113 GLY H 2.750 . 3.700 2.921 2.451 3.190 . 0 0 "[ . 1 . 2]" 1
285 1 112 LYS HA 1 112 LYS QD 3.400 . 5.000 3.932 2.285 4.241 . 0 0 "[ . 1 . 2]" 1
286 1 112 LYS HA 1 113 GLY H 3.400 . 5.000 3.559 3.513 3.576 . 0 0 "[ . 1 . 2]" 1
287 1 112 LYS QB 1 113 GLY H 3.900 . 6.000 2.244 1.877 3.217 . 0 0 "[ . 1 . 2]" 1
288 1 112 LYS QB 1 114 THR H 3.900 . 6.000 3.200 2.799 4.668 . 0 0 "[ . 1 . 2]" 1
289 1 112 LYS QD 1 113 GLY H 3.900 . 6.000 4.186 3.624 5.037 . 0 0 "[ . 1 . 2]" 1
290 1 112 LYS QE 1 114 THR MG 4.150 . 6.500 4.703 2.396 5.723 . 0 0 "[ . 1 . 2]" 1
291 1 112 LYS QG 1 113 GLY H 3.900 . 6.000 3.711 1.880 4.360 . 0 0 "[ . 1 . 2]" 1
292 1 113 GLY H 1 114 THR H 2.750 . 3.700 1.928 1.823 2.193 . 0 0 "[ . 1 . 2]" 1
293 1 113 GLY H 1 114 THR MG 4.150 . 6.500 3.849 3.060 5.284 . 0 0 "[ . 1 . 2]" 1
294 1 113 GLY QA 1 114 THR H 3.250 . 4.700 2.780 2.603 2.868 . 0 0 "[ . 1 . 2]" 1
295 1 113 GLY QA 1 114 THR MG 4.650 . 7.500 4.205 3.901 5.215 . 0 0 "[ . 1 . 2]" 1
296 1 113 GLY QA 1 115 LEU H 3.900 . 6.000 3.305 3.184 3.535 . 0 0 "[ . 1 . 2]" 1
297 1 114 THR H 1 114 THR HA 2.750 . 3.700 2.933 2.928 2.949 . 0 0 "[ . 1 . 2]" 1
298 1 114 THR H 1 114 THR MG 3.650 . 5.500 3.008 2.612 3.856 . 0 0 "[ . 1 . 2]" 1
299 1 114 THR H 1 115 LEU H 2.400 . 3.000 2.178 1.919 2.322 . 0 0 "[ . 1 . 2]" 1
300 1 114 THR HA 1 114 THR HB 2.900 . 4.000 2.609 2.483 3.010 . 0 0 "[ . 1 . 2]" 1
301 1 114 THR HA 1 114 THR MG 3.150 . 4.500 2.269 2.020 2.418 . 0 0 "[ . 1 . 2]" 1
302 1 114 THR HA 1 115 LEU H 2.750 . 3.700 3.361 3.268 3.435 . 0 0 "[ . 1 . 2]" 1
303 1 114 THR HA 1 117 LYS HA 3.400 . 5.000 5.031 4.998 5.080 0.080 10 0 "[ . 1 . 2]" 1
304 1 114 THR HA 1 117 LYS QB 3.400 . 5.000 3.086 2.442 3.865 . 0 0 "[ . 1 . 2]" 1
305 1 114 THR HA 1 117 LYS QD 3.400 . 5.000 3.472 1.881 5.002 0.002 12 0 "[ . 1 . 2]" 1
306 1 114 THR HA 1 117 LYS QE 3.900 . 6.000 4.123 2.272 5.288 . 0 0 "[ . 1 . 2]" 1
307 1 114 THR HA 1 117 LYS QG 3.400 . 5.000 3.531 2.047 4.769 . 0 0 "[ . 1 . 2]" 1
308 1 114 THR HB 1 115 LEU H 3.400 . 5.000 3.995 3.463 4.254 . 0 0 "[ . 1 . 2]" 1
309 1 114 THR HB 1 115 LEU HA 3.400 . 5.000 4.496 4.149 4.725 . 0 0 "[ . 1 . 2]" 1
310 1 114 THR HB 1 117 LYS QB 3.400 . 5.000 3.322 2.852 4.235 . 0 0 "[ . 1 . 2]" 1
311 1 114 THR HB 1 117 LYS QD 3.400 . 5.000 3.864 2.893 5.000 . 0 0 "[ . 1 . 2]" 1
312 1 114 THR HB 1 117 LYS QE 3.900 . 6.000 4.527 1.927 6.001 0.001 1 0 "[ . 1 . 2]" 1
313 1 114 THR HB 1 117 LYS QG 3.400 . 5.000 4.199 2.560 5.002 0.002 14 0 "[ . 1 . 2]" 1
314 1 114 THR MG 1 117 LYS H 4.150 . 6.500 5.016 3.743 5.959 . 0 0 "[ . 1 . 2]" 1
315 1 114 THR MG 1 117 LYS QB 3.650 . 5.500 3.604 2.162 4.350 . 0 0 "[ . 1 . 2]" 1
316 1 114 THR MG 1 117 LYS QD 4.150 . 6.500 3.112 1.888 4.544 . 0 0 "[ . 1 . 2]" 1
317 1 114 THR MG 1 117 LYS QE 4.150 . 6.500 3.336 1.966 4.929 . 0 0 "[ . 1 . 2]" 1
318 1 115 LEU H 1 115 LEU HA 2.750 . 3.700 2.794 2.789 2.800 . 0 0 "[ . 1 . 2]" 1
319 1 115 LEU H 1 115 LEU HB2 2.750 . 3.700 2.371 2.066 2.624 . 0 0 "[ . 1 . 2]" 1
320 1 115 LEU H 1 115 LEU HB3 2.750 . 3.700 2.691 2.384 3.129 . 0 0 "[ . 1 . 2]" 1
321 1 115 LEU H 1 115 LEU QD 4.000 . 6.200 3.630 3.513 3.725 . 0 0 "[ . 1 . 2]" 1
322 1 115 LEU H 1 115 LEU HG 3.400 . 5.000 4.365 3.848 4.638 . 0 0 "[ . 1 . 2]" 1
323 1 115 LEU H 1 116 GLY H 2.750 . 3.700 2.653 2.623 2.682 . 0 0 "[ . 1 . 2]" 1
324 1 115 LEU HA 1 115 LEU HB2 2.900 . 4.000 2.539 2.384 2.770 . 0 0 "[ . 1 . 2]" 1
325 1 115 LEU HA 1 115 LEU HB3 2.900 . 4.000 2.997 2.917 3.024 . 0 0 "[ . 1 . 2]" 1
326 1 115 LEU HA 1 115 LEU QD 3.500 . 5.200 2.186 1.911 2.853 . 0 0 "[ . 1 . 2]" 1
327 1 115 LEU HA 1 115 LEU HG 2.900 . 4.000 3.027 2.212 3.722 . 0 0 "[ . 1 . 2]" 1
328 1 115 LEU HA 1 118 PHE H 3.900 . 6.000 4.202 3.927 4.520 . 0 0 "[ . 1 . 2]" 1
329 1 115 LEU HA 1 118 PHE QD 3.900 . 6.000 2.919 2.264 3.789 . 0 0 "[ . 1 . 2]" 1
330 1 115 LEU HA 1 118 PHE QE 3.900 . 6.000 2.711 1.982 3.789 . 0 0 "[ . 1 . 2]" 1
331 1 115 LEU HA 1 142 LEU QD 4.350 . 6.900 3.979 3.400 4.767 . 0 0 "[ . 1 . 2]" 1
332 1 115 LEU HA 1 145 LEU QD 5.350 . 8.900 4.676 4.424 4.901 . 0 0 "[ . 1 . 2]" 1
333 1 115 LEU HB2 1 115 LEU HG 2.900 . 4.000 2.671 2.332 3.022 . 0 0 "[ . 1 . 2]" 1
334 1 115 LEU QD 1 116 GLY QA 4.850 . 7.900 3.575 2.666 4.315 . 0 0 "[ . 1 . 2]" 1
335 1 115 LEU QD 1 117 LYS QB 5.350 . 8.900 5.300 4.829 5.635 . 0 0 "[ . 1 . 2]" 1
336 1 115 LEU QD 1 118 PHE QD 5.350 . 8.900 2.875 1.952 3.587 . 0 0 "[ . 1 . 2]" 1
337 1 115 LEU QD 1 118 PHE QE 5.850 . 9.900 3.126 2.100 4.279 . 0 0 "[ . 1 . 2]" 1
338 1 115 LEU QD 1 122 MET ME 5.600 . 9.400 6.363 5.495 7.374 . 0 0 "[ . 1 . 2]" 1
339 1 115 LEU QD 1 123 LEU H 4.850 . 7.900 6.030 5.661 6.371 . 0 0 "[ . 1 . 2]" 1
340 1 115 LEU QD 1 123 LEU HB2 3.850 . 5.900 5.658 5.142 5.943 0.043 10 0 "[ . 1 . 2]" 1
341 1 115 LEU QD 1 123 LEU QD 5.800 . 9.800 2.329 1.789 2.752 0.011 6 0 "[ . 1 . 2]" 1
342 1 115 LEU QD 1 126 ALA MB 5.600 . 9.400 3.494 3.153 3.669 . 0 0 "[ . 1 . 2]" 1
343 1 115 LEU QD 1 142 LEU HA 4.350 . 6.900 2.255 1.870 3.157 . 0 0 "[ . 1 . 2]" 1
344 1 115 LEU QD 1 142 LEU QB 4.850 . 7.900 2.988 2.106 4.036 . 0 0 "[ . 1 . 2]" 1
345 1 115 LEU QD 1 142 LEU QD 5.800 . 9.800 2.366 1.856 3.015 . 0 0 "[ . 1 . 2]" 1
346 1 115 LEU QD 1 145 LEU HB2 4.350 . 6.900 2.213 1.927 2.782 . 0 0 "[ . 1 . 2]" 1
347 1 115 LEU QD 1 145 LEU HB3 4.850 . 7.900 2.293 1.953 2.755 . 0 0 "[ . 1 . 2]" 1
348 1 115 LEU QD 1 145 LEU QD 5.800 . 9.800 1.832 1.777 2.066 0.023 5 0 "[ . 1 . 2]" 1
349 1 115 LEU QD 1 146 THR HA 4.350 . 6.900 3.871 3.435 4.701 . 0 0 "[ . 1 . 2]" 1
350 1 115 LEU QD 1 146 THR HB 4.850 . 7.900 4.199 3.350 5.076 . 0 0 "[ . 1 . 2]" 1
351 1 115 LEU HG 1 116 GLY QA 3.900 . 6.000 4.845 3.570 5.817 . 0 0 "[ . 1 . 2]" 1
352 1 115 LEU HG 1 142 LEU QD 3.850 . 5.900 3.664 1.831 4.919 . 0 0 "[ . 1 . 2]" 1
353 1 116 GLY H 1 117 LYS H 2.750 . 3.700 2.706 2.482 3.323 . 0 0 "[ . 1 . 2]" 1
354 1 116 GLY QA 1 117 LYS H 3.250 . 4.700 2.882 2.595 2.930 . 0 0 "[ . 1 . 2]" 1
355 1 116 GLY QA 1 117 LYS QG 4.400 . 7.000 4.933 3.968 5.645 . 0 0 "[ . 1 . 2]" 1
356 1 116 GLY QA 1 118 PHE H 3.900 . 6.000 4.338 4.091 4.460 . 0 0 "[ . 1 . 2]" 1
357 1 116 GLY QA 1 139 GLN HB2 3.900 . 6.000 6.020 5.993 6.044 0.044 18 0 "[ . 1 . 2]" 1
358 1 116 GLY QA 1 142 LEU QD 4.350 . 6.900 1.777 1.763 1.798 0.037 11 0 "[ . 1 . 2]" 1
359 1 116 GLY QA 1 142 LEU HG 3.400 . 5.000 3.014 1.929 3.852 . 0 0 "[ . 1 . 2]" 1
360 1 117 LYS H 1 117 LYS HA 2.750 . 3.700 2.912 2.903 2.925 . 0 0 "[ . 1 . 2]" 1
361 1 117 LYS H 1 117 LYS QB 2.900 . 4.000 2.272 2.155 2.638 . 0 0 "[ . 1 . 2]" 1
362 1 117 LYS H 1 117 LYS QG 3.400 . 5.000 3.599 2.577 4.133 . 0 0 "[ . 1 . 2]" 1
363 1 117 LYS H 1 118 PHE H 2.750 . 3.700 2.361 1.967 2.448 . 0 0 "[ . 1 . 2]" 1
364 1 117 LYS H 1 118 PHE HA 3.400 . 5.000 4.968 4.568 5.033 0.033 5 0 "[ . 1 . 2]" 1
365 1 117 LYS H 1 118 PHE HB2 3.400 . 5.000 4.517 4.071 4.652 . 0 0 "[ . 1 . 2]" 1
366 1 117 LYS HA 1 118 PHE H 3.400 . 5.000 3.553 3.518 3.561 . 0 0 "[ . 1 . 2]" 1
367 1 117 LYS QB 1 118 PHE H 3.250 . 4.700 2.401 2.164 2.755 . 0 0 "[ . 1 . 2]" 1
368 1 118 PHE H 1 118 PHE HA 2.750 . 3.700 2.736 2.715 2.746 . 0 0 "[ . 1 . 2]" 1
369 1 118 PHE H 1 118 PHE HB2 2.400 . 3.000 2.718 2.566 2.810 . 0 0 "[ . 1 . 2]" 1
370 1 118 PHE H 1 118 PHE HB3 2.750 . 3.700 3.581 3.568 3.608 . 0 0 "[ . 1 . 2]" 1
371 1 118 PHE H 1 118 PHE QD 3.400 . 5.000 2.703 2.279 3.002 . 0 0 "[ . 1 . 2]" 1
372 1 118 PHE H 1 123 LEU QD 4.200 . 6.600 4.159 3.688 4.414 . 0 0 "[ . 1 . 2]" 1
373 1 118 PHE H 1 142 LEU QD 4.350 . 6.900 4.413 2.894 5.256 . 0 0 "[ . 1 . 2]" 1
374 1 118 PHE HA 1 118 PHE HB2 2.900 . 4.000 3.022 3.016 3.026 . 0 0 "[ . 1 . 2]" 1
375 1 118 PHE HA 1 118 PHE HB3 2.900 . 4.000 2.412 2.370 2.479 . 0 0 "[ . 1 . 2]" 1
376 1 118 PHE HA 1 118 PHE QD 2.900 . 4.000 2.543 2.178 2.859 . 0 0 "[ . 1 . 2]" 1
377 1 118 PHE HA 1 119 THR H 2.400 . 3.000 2.289 2.203 2.385 . 0 0 "[ . 1 . 2]" 1
378 1 118 PHE HA 1 122 MET QB 3.900 . 6.000 3.921 3.628 4.218 . 0 0 "[ . 1 . 2]" 1
379 1 118 PHE HA 1 122 MET ME 3.650 . 5.500 2.548 1.986 5.127 . 0 0 "[ . 1 . 2]" 1
380 1 118 PHE HB2 1 119 THR H 3.400 . 5.000 3.709 3.545 3.952 . 0 0 "[ . 1 . 2]" 1
381 1 118 PHE HB2 1 122 MET QB 3.400 . 5.000 3.352 2.761 4.095 . 0 0 "[ . 1 . 2]" 1
382 1 118 PHE HB2 1 122 MET ME 4.150 . 6.500 3.885 3.501 6.036 . 0 0 "[ . 1 . 2]" 1
383 1 118 PHE HB2 1 122 MET QG 3.900 . 6.000 5.143 4.102 6.006 0.006 11 0 "[ . 1 . 2]" 1
384 1 118 PHE HB2 1 123 LEU HB2 3.400 . 5.000 4.967 4.476 5.049 0.049 18 0 "[ . 1 . 2]" 1
385 1 118 PHE HB2 1 123 LEU HB3 3.900 . 6.000 5.461 4.846 5.702 . 0 0 "[ . 1 . 2]" 1
386 1 118 PHE HB2 1 123 LEU QD 4.350 . 6.900 2.930 2.325 3.320 . 0 0 "[ . 1 . 2]" 1
387 1 118 PHE HB2 1 123 LEU HG 2.900 . 4.000 2.564 1.937 2.786 . 0 0 "[ . 1 . 2]" 1
388 1 118 PHE HB3 1 119 THR H 3.400 . 5.000 2.715 2.492 2.882 . 0 0 "[ . 1 . 2]" 1
389 1 118 PHE HB3 1 122 MET QB 3.400 . 5.000 2.245 1.922 2.603 . 0 0 "[ . 1 . 2]" 1
390 1 118 PHE HB3 1 122 MET ME 3.650 . 5.500 2.425 1.961 4.657 . 0 0 "[ . 1 . 2]" 1
391 1 118 PHE HB3 1 122 MET QG 3.900 . 6.000 3.702 2.542 4.454 . 0 0 "[ . 1 . 2]" 1
392 1 118 PHE HB3 1 123 LEU H 3.400 . 5.000 4.079 3.226 4.382 . 0 0 "[ . 1 . 2]" 1
393 1 118 PHE HB3 1 123 LEU QD 4.350 . 6.900 3.983 3.203 4.379 . 0 0 "[ . 1 . 2]" 1
394 1 118 PHE HB3 1 123 LEU HG 2.900 . 4.000 3.570 2.404 4.008 0.008 1 0 "[ . 1 . 2]" 1
395 1 118 PHE QD 1 122 MET H 4.400 . 7.000 6.226 5.356 6.534 . 0 0 "[ . 1 . 2]" 1
396 1 118 PHE QD 1 122 MET QB 4.400 . 7.000 3.586 2.643 4.030 . 0 0 "[ . 1 . 2]" 1
397 1 118 PHE QD 1 122 MET ME 4.650 . 7.500 2.375 1.881 4.990 . 0 0 "[ . 1 . 2]" 1
398 1 118 PHE QD 1 123 LEU QD 4.850 . 7.900 3.225 2.554 3.719 . 0 0 "[ . 1 . 2]" 1
399 1 118 PHE QE 1 122 MET QB 4.900 . 8.000 5.067 3.864 5.450 . 0 0 "[ . 1 . 2]" 1
400 1 119 THR H 1 119 THR MG 3.650 . 5.500 2.313 1.966 3.728 . 0 0 "[ . 1 . 2]" 1
401 1 119 THR H 1 122 MET QB 3.250 . 4.700 2.830 2.524 3.047 . 0 0 "[ . 1 . 2]" 1
402 1 119 THR H 1 122 MET QG 3.900 . 6.000 3.805 2.653 4.658 . 0 0 "[ . 1 . 2]" 1
403 1 119 THR H 1 123 LEU HG 3.400 . 5.000 4.711 4.318 5.011 0.011 2 0 "[ . 1 . 2]" 1
404 1 119 THR HA 1 119 THR HB 2.900 . 4.000 2.481 2.382 3.017 . 0 0 "[ . 1 . 2]" 1
405 1 119 THR HA 1 119 THR MG 3.150 . 4.500 2.440 2.232 2.560 . 0 0 "[ . 1 . 2]" 1
406 1 119 THR HA 1 120 VAL HB 3.400 . 5.000 5.026 4.842 5.054 0.054 11 0 "[ . 1 . 2]" 1
407 1 119 THR HA 1 120 VAL QG 4.350 . 6.900 3.762 3.658 3.995 . 0 0 "[ . 1 . 2]" 1
408 1 119 THR HA 1 121 PRO QD 3.400 . 5.000 4.064 3.803 4.601 . 0 0 "[ . 1 . 2]" 1
409 1 119 THR HA 1 121 PRO QG 3.900 . 6.000 5.366 5.084 5.821 . 0 0 "[ . 1 . 2]" 1
410 1 119 THR HA 1 122 MET QG 4.400 . 7.000 5.890 4.992 6.762 . 0 0 "[ . 1 . 2]" 1
411 1 119 THR HA 1 123 LEU QD 4.350 . 6.900 3.815 3.297 4.559 . 0 0 "[ . 1 . 2]" 1
412 1 119 THR HA 1 123 LEU HG 3.650 . 5.500 4.972 4.636 5.507 0.007 15 0 "[ . 1 . 2]" 1
413 1 119 THR HA 1 138 LYS QB 3.900 . 6.000 4.511 3.609 5.102 . 0 0 "[ . 1 . 2]" 1
414 1 119 THR HA 1 138 LYS QE 3.900 . 6.000 4.332 1.989 6.005 0.005 15 0 "[ . 1 . 2]" 1
415 1 119 THR HB 1 120 VAL H 2.400 . 3.000 1.927 1.862 1.972 . 0 0 "[ . 1 . 2]" 1
416 1 119 THR HB 1 120 VAL HB 2.900 . 4.000 3.975 3.879 4.074 0.074 15 0 "[ . 1 . 2]" 1
417 1 119 THR HB 1 120 VAL QG 4.850 . 7.900 3.845 3.723 4.175 . 0 0 "[ . 1 . 2]" 1
418 1 119 THR HB 1 121 PRO QD 3.400 . 5.000 2.311 1.907 2.690 . 0 0 "[ . 1 . 2]" 1
419 1 119 THR HB 1 121 PRO QG 3.400 . 5.000 3.394 2.670 3.815 . 0 0 "[ . 1 . 2]" 1
420 1 119 THR HB 1 122 MET QG 3.900 . 6.000 5.187 3.158 6.027 0.027 18 0 "[ . 1 . 2]" 1
421 1 119 THR HB 1 123 LEU QD 5.350 . 8.900 5.118 4.692 5.899 . 0 0 "[ . 1 . 2]" 1
422 1 119 THR HB 1 138 LYS QB 3.900 . 6.000 5.655 4.985 6.027 0.027 15 0 "[ . 1 . 2]" 1
423 1 119 THR MG 1 120 VAL H 4.150 . 6.500 3.476 2.453 3.635 . 0 0 "[ . 1 . 2]" 1
424 1 119 THR MG 1 120 VAL HB 4.150 . 6.500 5.153 2.511 5.390 . 0 0 "[ . 1 . 2]" 1
425 1 119 THR MG 1 121 PRO QD 4.150 . 6.500 3.558 1.906 3.895 . 0 0 "[ . 1 . 2]" 1
426 1 119 THR MG 1 121 PRO QG 4.150 . 6.500 3.772 2.997 4.300 . 0 0 "[ . 1 . 2]" 1
427 1 119 THR MG 1 122 MET HA 4.150 . 6.500 6.340 6.043 6.595 0.095 15 0 "[ . 1 . 2]" 1
428 1 119 THR MG 1 122 MET QB 4.650 . 7.500 4.153 3.721 4.967 . 0 0 "[ . 1 . 2]" 1
429 1 119 THR MG 1 122 MET QG 4.150 . 6.500 4.294 3.557 5.304 . 0 0 "[ . 1 . 2]" 1
430 1 119 THR MG 1 138 LYS QE 4.650 . 7.500 4.979 2.815 6.773 . 0 0 "[ . 1 . 2]" 1
431 1 120 VAL H 1 120 VAL HA 2.750 . 3.700 2.868 2.862 2.876 . 0 0 "[ . 1 . 2]" 1
432 1 120 VAL H 1 120 VAL HB 2.750 . 3.700 2.405 2.301 2.875 . 0 0 "[ . 1 . 2]" 1
433 1 120 VAL H 1 120 VAL QG 4.000 . 6.200 2.472 2.313 3.212 . 0 0 "[ . 1 . 2]" 1
434 1 120 VAL H 1 121 PRO QD 2.400 . 3.000 1.874 1.802 2.040 . 0 0 "[ . 1 . 2]" 1
435 1 120 VAL HA 1 120 VAL HB 2.900 . 4.000 3.015 2.998 3.022 . 0 0 "[ . 1 . 2]" 1
436 1 120 VAL HA 1 120 VAL QG 3.150 . 4.500 2.095 2.028 2.142 . 0 0 "[ . 1 . 2]" 1
437 1 120 VAL HA 1 122 MET H 3.400 . 5.000 4.086 3.943 4.398 . 0 0 "[ . 1 . 2]" 1
438 1 120 VAL HA 1 123 LEU H 3.400 . 5.000 3.249 3.168 3.377 . 0 0 "[ . 1 . 2]" 1
439 1 120 VAL HA 1 123 LEU HB2 2.900 . 4.000 2.298 2.128 2.441 . 0 0 "[ . 1 . 2]" 1
440 1 120 VAL HA 1 123 LEU HB3 2.900 . 4.000 3.858 3.640 4.021 0.021 12 0 "[ . 1 . 2]" 1
441 1 120 VAL HA 1 123 LEU QD 3.850 . 5.900 2.339 2.015 3.183 . 0 0 "[ . 1 . 2]" 1
442 1 120 VAL HA 1 123 LEU HG 2.900 . 4.000 3.988 3.886 4.017 0.017 6 0 "[ . 1 . 2]" 1
443 1 120 VAL HA 1 124 LYS H 3.400 . 5.000 3.868 3.520 4.151 . 0 0 "[ . 1 . 2]" 1
444 1 120 VAL HA 1 124 LYS QD 3.900 . 6.000 4.720 3.787 5.835 . 0 0 "[ . 1 . 2]" 1
445 1 120 VAL HA 1 124 LYS QE 3.900 . 6.000 5.400 4.555 6.020 0.020 13 0 "[ . 1 . 2]" 1
446 1 120 VAL HA 1 141 LEU HB2 3.400 . 5.000 4.549 3.816 4.905 . 0 0 "[ . 1 . 2]" 1
447 1 120 VAL HA 1 141 LEU HG 3.400 . 5.000 5.021 4.896 5.052 0.052 11 0 "[ . 1 . 2]" 1
448 1 120 VAL HB 1 121 PRO QD 2.900 . 4.000 1.896 1.803 1.950 . 0 0 "[ . 1 . 2]" 1
449 1 120 VAL HB 1 141 LEU QD 4.350 . 6.900 4.053 3.882 4.311 . 0 0 "[ . 1 . 2]" 1
450 1 120 VAL QG 1 121 PRO HA 4.350 . 6.900 3.252 2.958 3.436 . 0 0 "[ . 1 . 2]" 1
451 1 120 VAL QG 1 121 PRO QD 4.850 . 7.900 2.598 2.062 2.836 . 0 0 "[ . 1 . 2]" 1
452 1 120 VAL QG 1 121 PRO QG 4.850 . 7.900 3.908 3.537 4.094 . 0 0 "[ . 1 . 2]" 1
453 1 120 VAL QG 1 123 LEU HB3 4.350 . 6.900 4.254 3.956 4.499 . 0 0 "[ . 1 . 2]" 1
454 1 120 VAL QG 1 124 LYS QB 4.350 . 6.900 3.615 2.950 4.294 . 0 0 "[ . 1 . 2]" 1
455 1 120 VAL QG 1 124 LYS QD 4.350 . 6.900 2.703 1.794 3.884 0.006 16 0 "[ . 1 . 2]" 1
456 1 120 VAL QG 1 124 LYS QE 4.850 . 7.900 2.716 1.922 3.387 . 0 0 "[ . 1 . 2]" 1
457 1 120 VAL QG 1 138 LYS H 4.850 . 7.900 2.906 1.897 4.155 . 0 0 "[ . 1 . 2]" 1
458 1 120 VAL QG 1 138 LYS HA 3.850 . 5.900 2.185 1.814 2.840 . 0 0 "[ . 1 . 2]" 1
459 1 120 VAL QG 1 139 GLN H 4.850 . 7.900 4.572 4.243 5.268 . 0 0 "[ . 1 . 2]" 1
460 1 120 VAL QG 1 141 LEU HB2 4.850 . 7.900 4.359 3.847 4.671 . 0 0 "[ . 1 . 2]" 1
461 1 120 VAL QG 1 141 LEU QD 5.300 . 8.800 1.975 1.797 2.166 0.003 11 0 "[ . 1 . 2]" 1
462 1 121 PRO HA 1 121 PRO QD 3.400 . 5.000 3.198 3.087 3.424 . 0 0 "[ . 1 . 2]" 1
463 1 121 PRO HA 1 121 PRO QG 3.400 . 5.000 3.301 2.872 3.480 . 0 0 "[ . 1 . 2]" 1
464 1 121 PRO HA 1 122 MET H 2.650 . 3.500 3.513 3.487 3.534 0.034 11 0 "[ . 1 . 2]" 1
465 1 121 PRO HA 1 124 LYS H 3.400 . 5.000 3.841 3.634 4.104 . 0 0 "[ . 1 . 2]" 1
466 1 121 PRO HA 1 124 LYS QB 2.900 . 4.000 3.047 2.536 4.051 0.051 16 0 "[ . 1 . 2]" 1
467 1 121 PRO HA 1 124 LYS QD 3.400 . 5.000 3.859 1.806 5.010 0.010 18 0 "[ . 1 . 2]" 1
468 1 121 PRO HA 1 124 LYS QG 3.900 . 6.000 3.832 2.220 4.909 . 0 0 "[ . 1 . 2]" 1
469 1 121 PRO HA 1 141 LEU QD 4.850 . 7.900 4.730 4.437 4.987 . 0 0 "[ . 1 . 2]" 1
470 1 121 PRO QB 1 122 MET H 3.900 . 6.000 2.964 2.612 3.195 . 0 0 "[ . 1 . 2]" 1
471 1 121 PRO QG 1 122 MET H 3.400 . 5.000 3.065 2.638 3.858 . 0 0 "[ . 1 . 2]" 1
472 1 122 MET H 1 122 MET ME 4.150 . 6.500 4.055 1.868 4.778 . 0 0 "[ . 1 . 2]" 1
473 1 122 MET H 1 122 MET QG 3.400 . 5.000 2.940 2.380 3.649 . 0 0 "[ . 1 . 2]" 1
474 1 122 MET H 1 123 LEU H 2.750 . 3.700 2.409 2.353 2.513 . 0 0 "[ . 1 . 2]" 1
475 1 122 MET HA 1 122 MET ME 4.150 . 6.500 4.436 2.938 4.773 . 0 0 "[ . 1 . 2]" 1
476 1 122 MET HA 1 122 MET QG 2.900 . 4.000 2.231 2.025 2.550 . 0 0 "[ . 1 . 2]" 1
477 1 122 MET QB 1 122 MET ME 4.150 . 6.500 2.398 1.975 2.795 . 0 0 "[ . 1 . 2]" 1
478 1 122 MET QB 1 123 LEU H 2.900 . 4.000 2.608 2.328 2.847 . 0 0 "[ . 1 . 2]" 1
479 1 122 MET QB 1 123 LEU QD 5.350 . 8.900 4.053 3.755 4.286 . 0 0 "[ . 1 . 2]" 1
480 1 122 MET ME 1 123 LEU HG 3.650 . 5.500 5.232 4.731 5.541 0.041 18 0 "[ . 1 . 2]" 1
481 1 122 MET QG 1 123 LEU H 3.900 . 6.000 4.247 3.918 4.504 . 0 0 "[ . 1 . 2]" 1
482 1 122 MET QG 1 123 LEU QD 5.350 . 8.900 5.504 5.092 5.812 . 0 0 "[ . 1 . 2]" 1
483 1 123 LEU H 1 123 LEU HA 2.750 . 3.700 2.810 2.802 2.823 . 0 0 "[ . 1 . 2]" 1
484 1 123 LEU H 1 123 LEU HB2 2.750 . 3.700 2.213 2.152 2.312 . 0 0 "[ . 1 . 2]" 1
485 1 123 LEU H 1 123 LEU QD 4.000 . 6.200 3.254 3.159 3.343 . 0 0 "[ . 1 . 2]" 1
486 1 123 LEU H 1 123 LEU HG 2.400 . 3.000 2.801 2.514 2.971 . 0 0 "[ . 1 . 2]" 1
487 1 123 LEU H 1 124 LYS H 2.750 . 3.700 2.702 2.626 2.826 . 0 0 "[ . 1 . 2]" 1
488 1 123 LEU HA 1 123 LEU HB2 2.900 . 4.000 2.982 2.960 3.006 . 0 0 "[ . 1 . 2]" 1
489 1 123 LEU HA 1 123 LEU HB3 2.900 . 4.000 2.629 2.569 2.675 . 0 0 "[ . 1 . 2]" 1
490 1 123 LEU HA 1 123 LEU QD 3.500 . 5.200 2.196 1.963 2.511 . 0 0 "[ . 1 . 2]" 1
491 1 123 LEU HA 1 123 LEU HG 2.400 . 3.000 2.639 2.475 2.937 . 0 0 "[ . 1 . 2]" 1
492 1 123 LEU HA 1 126 ALA H 2.650 . 3.500 3.520 3.484 3.558 0.058 16 0 "[ . 1 . 2]" 1
493 1 123 LEU HA 1 126 ALA MB 3.150 . 4.500 3.267 2.988 3.514 . 0 0 "[ . 1 . 2]" 1
494 1 123 LEU HA 1 141 LEU HB2 3.400 . 5.000 4.833 4.708 5.006 0.006 11 0 "[ . 1 . 2]" 1
495 1 123 LEU HA 1 141 LEU HB3 2.900 . 4.000 4.072 4.046 4.093 0.093 18 0 "[ . 1 . 2]" 1
496 1 123 LEU QB 1 126 ALA H 3.650 . 5.500 4.925 4.808 4.992 . 0 0 "[ . 1 . 2]" 1
497 1 123 LEU HB2 1 123 LEU HG 2.900 . 3.000 2.565 2.422 2.634 . 0 0 "[ . 1 . 2]" 1
498 1 123 LEU HB2 1 124 LYS H 2.750 . 3.700 2.701 2.480 2.841 . 0 0 "[ . 1 . 2]" 1
499 1 123 LEU HB3 1 123 LEU HG 2.900 . 4.000 3.004 2.985 3.019 . 0 0 "[ . 1 . 2]" 1
500 1 123 LEU HB3 1 124 LYS H 2.750 . 3.700 3.285 3.050 3.554 . 0 0 "[ . 1 . 2]" 1
501 1 123 LEU HB3 1 124 LYS QD 3.900 . 6.000 5.004 4.262 6.006 0.006 12 0 "[ . 1 . 2]" 1
502 1 123 LEU HB3 1 141 LEU HB2 3.400 . 5.000 2.468 2.269 2.666 . 0 0 "[ . 1 . 2]" 1
503 1 123 LEU HB3 1 141 LEU QD 4.350 . 6.900 1.940 1.801 2.262 . 0 0 "[ . 1 . 2]" 1
504 1 123 LEU HB3 1 141 LEU HG 3.400 . 5.000 3.787 3.561 4.121 . 0 0 "[ . 1 . 2]" 1
505 1 123 LEU HB3 1 145 LEU QD 4.350 . 6.900 3.410 3.003 3.671 . 0 0 "[ . 1 . 2]" 1
506 1 123 LEU QD 1 124 LYS H 4.350 . 6.900 4.056 3.963 4.165 . 0 0 "[ . 1 . 2]" 1
507 1 123 LEU QD 1 124 LYS QE 5.350 . 8.900 5.933 4.969 6.762 . 0 0 "[ . 1 . 2]" 1
508 1 123 LEU QD 1 124 LYS QG 4.850 . 7.900 5.245 4.332 5.988 . 0 0 "[ . 1 . 2]" 1
509 1 123 LEU QD 1 126 ALA H 4.350 . 6.900 4.684 4.480 4.876 . 0 0 "[ . 1 . 2]" 1
510 1 123 LEU QD 1 126 ALA MB 5.100 . 8.400 3.447 3.173 3.737 . 0 0 "[ . 1 . 2]" 1
511 1 123 LEU QD 1 127 CYS H 4.850 . 7.900 4.752 4.425 5.011 . 0 0 "[ . 1 . 2]" 1
512 1 123 LEU QD 1 141 LEU HA 4.350 . 6.900 3.911 3.499 4.280 . 0 0 "[ . 1 . 2]" 1
513 1 123 LEU QD 1 141 LEU HB2 4.350 . 6.900 1.869 1.777 2.018 0.023 10 0 "[ . 1 . 2]" 1
514 1 123 LEU QD 1 141 LEU HG 4.350 . 6.900 3.736 3.551 3.946 . 0 0 "[ . 1 . 2]" 1
515 1 123 LEU QD 1 142 LEU HG 4.350 . 6.900 2.802 1.794 3.643 0.006 18 0 "[ . 1 . 2]" 1
516 1 123 LEU QD 1 145 LEU H 4.400 . 7.000 4.706 4.121 5.181 . 0 0 "[ . 1 . 2]" 1
517 1 123 LEU QD 1 145 LEU QD 5.300 . 8.800 2.045 1.788 2.350 0.012 11 0 "[ . 1 . 2]" 1
518 1 124 LYS H 1 124 LYS HA 2.750 . 3.700 2.762 2.741 2.780 . 0 0 "[ . 1 . 2]" 1
519 1 124 LYS H 1 124 LYS QB 3.250 . 4.700 2.227 2.041 2.635 . 0 0 "[ . 1 . 2]" 1
520 1 124 LYS H 1 124 LYS QD 3.400 . 5.000 3.313 2.615 4.285 . 0 0 "[ . 1 . 2]" 1
521 1 124 LYS H 1 125 GLU H 2.750 . 3.700 2.775 2.696 2.881 . 0 0 "[ . 1 . 2]" 1
522 1 124 LYS H 1 126 ALA H 3.400 . 5.000 4.647 4.519 4.745 . 0 0 "[ . 1 . 2]" 1
523 1 124 LYS HA 1 124 LYS QD 2.900 . 4.000 3.043 2.214 4.105 0.105 17 0 "[ . 1 . 2]" 1
524 1 124 LYS HA 1 124 LYS QG 2.900 . 4.000 2.399 2.002 3.339 . 0 0 "[ . 1 . 2]" 1
525 1 124 LYS HA 1 125 GLU H 2.750 . 3.700 3.510 3.470 3.552 . 0 0 "[ . 1 . 2]" 1
526 1 124 LYS HA 1 127 CYS H 2.900 . 4.000 3.484 3.296 3.698 . 0 0 "[ . 1 . 2]" 1
527 1 124 LYS HA 1 127 CYS HB2 2.900 . 4.000 2.483 2.145 2.777 . 0 0 "[ . 1 . 2]" 1
528 1 124 LYS HA 1 127 CYS HB3 2.900 . 4.000 3.929 3.499 4.014 0.014 7 0 "[ . 1 . 2]" 1
529 1 124 LYS HA 1 141 LEU QD 3.850 . 5.900 2.227 1.897 2.956 . 0 0 "[ . 1 . 2]" 1
530 1 124 LYS QB 1 125 GLU H 2.900 . 4.000 2.812 2.516 3.566 . 0 0 "[ . 1 . 2]" 1
531 1 124 LYS QB 1 141 LEU QD 4.850 . 7.900 3.189 2.164 3.982 . 0 0 "[ . 1 . 2]" 1
532 1 124 LYS QD 1 125 GLU H 3.400 . 5.000 4.833 3.574 5.023 0.023 7 0 "[ . 1 . 2]" 1
533 1 124 LYS QG 1 125 GLU H 3.400 . 5.000 4.127 2.081 4.530 . 0 0 "[ . 1 . 2]" 1
534 1 124 LYS QG 1 134 SER QB 4.400 . 7.000 4.538 2.679 7.007 0.007 17 0 "[ . 1 . 2]" 1
535 1 124 LYS QG 1 141 LEU QD 4.350 . 6.900 2.600 1.903 3.834 . 0 0 "[ . 1 . 2]" 1
536 1 125 GLU H 1 125 GLU HA 2.400 . 3.000 2.780 2.766 2.791 . 0 0 "[ . 1 . 2]" 1
537 1 125 GLU H 1 125 GLU QB 2.900 . 4.000 2.127 2.039 2.245 . 0 0 "[ . 1 . 2]" 1
538 1 125 GLU H 1 125 GLU QG 3.400 . 5.000 3.698 2.744 4.056 . 0 0 "[ . 1 . 2]" 1
539 1 125 GLU H 1 126 ALA H 2.750 . 3.700 2.884 2.842 2.947 . 0 0 "[ . 1 . 2]" 1
540 1 125 GLU HA 1 125 GLU QG 2.900 . 4.000 2.304 2.005 2.791 . 0 0 "[ . 1 . 2]" 1
541 1 125 GLU HA 1 126 ALA H 2.715 . 3.630 3.571 3.559 3.580 . 0 0 "[ . 1 . 2]" 1
542 1 125 GLU HA 1 128 ARG H 2.650 . 3.500 3.502 3.490 3.512 0.012 16 0 "[ . 1 . 2]" 1
543 1 125 GLU QB 1 126 ALA H 3.250 . 4.700 2.355 2.233 2.502 . 0 0 "[ . 1 . 2]" 1
544 1 125 GLU QB 1 126 ALA MB 4.150 . 6.500 3.667 3.587 3.817 . 0 0 "[ . 1 . 2]" 1
545 1 125 GLU QG 1 126 ALA H 3.900 . 6.000 4.032 3.421 4.334 . 0 0 "[ . 1 . 2]" 1
546 1 125 GLU QG 1 126 ALA MB 4.650 . 7.500 4.975 4.202 5.454 . 0 0 "[ . 1 . 2]" 1
547 1 125 GLU QG 1 129 ALA MB 4.650 . 7.500 4.581 3.587 5.853 . 0 0 "[ . 1 . 2]" 1
548 1 126 ALA H 1 126 ALA HA 2.400 . 3.000 2.795 2.786 2.805 . 0 0 "[ . 1 . 2]" 1
549 1 126 ALA H 1 126 ALA MB 3.150 . 4.500 2.164 2.052 2.237 . 0 0 "[ . 1 . 2]" 1
550 1 126 ALA H 1 128 ARG QB 3.900 . 6.000 4.875 4.511 5.948 . 0 0 "[ . 1 . 2]" 1
551 1 126 ALA HA 1 127 CYS H 2.750 . 3.700 3.545 3.499 3.564 . 0 0 "[ . 1 . 2]" 1
552 1 126 ALA HA 1 128 ARG H 3.150 . 4.500 4.362 4.219 4.503 0.003 2 0 "[ . 1 . 2]" 1
553 1 126 ALA HA 1 129 ALA H 2.650 . 3.500 3.420 3.295 3.502 0.002 16 0 "[ . 1 . 2]" 1
554 1 126 ALA HA 1 130 TYR H 3.000 . 4.200 4.233 4.218 4.251 0.051 18 0 "[ . 1 . 2]" 1
555 1 126 ALA HA 1 130 TYR QD 3.900 . 6.000 4.460 3.931 5.111 . 0 0 "[ . 1 . 2]" 1
556 1 126 ALA HA 1 130 TYR QE 3.900 . 6.000 5.198 4.308 5.751 . 0 0 "[ . 1 . 2]" 1
557 1 126 ALA HA 1 145 LEU QD 4.350 . 6.900 3.807 3.579 4.088 . 0 0 "[ . 1 . 2]" 1
558 1 126 ALA MB 1 127 CYS H 3.500 . 5.200 2.477 2.318 2.769 . 0 0 "[ . 1 . 2]" 1
559 1 126 ALA MB 1 145 LEU QD 4.600 . 7.400 1.805 1.768 1.954 0.032 18 0 "[ . 1 . 2]" 1
560 1 127 CYS H 1 127 CYS HB2 2.750 . 3.700 2.274 2.062 2.633 . 0 0 "[ . 1 . 2]" 1
561 1 127 CYS H 1 127 CYS HB3 2.750 . 3.700 3.515 3.262 3.589 . 0 0 "[ . 1 . 2]" 1
562 1 127 CYS H 1 128 ARG QB 3.900 . 6.000 4.421 4.357 4.875 . 0 0 "[ . 1 . 2]" 1
563 1 127 CYS H 1 145 LEU QD 4.350 . 6.900 3.443 3.239 3.729 . 0 0 "[ . 1 . 2]" 1
564 1 127 CYS HA 1 127 CYS HB2 2.900 . 4.000 2.985 2.842 3.027 . 0 0 "[ . 1 . 2]" 1
565 1 127 CYS HA 1 127 CYS HB3 2.900 . 4.000 2.631 2.415 2.866 . 0 0 "[ . 1 . 2]" 1
566 1 127 CYS HA 1 128 ARG H 2.700 . 3.600 3.531 3.504 3.565 . 0 0 "[ . 1 . 2]" 1
567 1 127 CYS HA 1 129 ALA H 3.000 . 4.200 4.198 4.078 4.214 0.014 16 0 "[ . 1 . 2]" 1
568 1 127 CYS HA 1 130 TYR H 2.650 . 3.500 3.242 3.053 3.390 . 0 0 "[ . 1 . 2]" 1
569 1 127 CYS HA 1 130 TYR HB2 3.900 . 6.000 2.501 2.067 3.082 . 0 0 "[ . 1 . 2]" 1
570 1 127 CYS HA 1 132 LEU H 2.750 . 3.700 3.247 3.014 3.492 . 0 0 "[ . 1 . 2]" 1
571 1 127 CYS HA 1 132 LEU QB 3.400 . 5.000 2.908 1.981 3.525 . 0 0 "[ . 1 . 2]" 1
572 1 127 CYS HA 1 132 LEU QD 4.350 . 6.900 2.611 1.933 3.769 . 0 0 "[ . 1 . 2]" 1
573 1 127 CYS HA 1 132 LEU HG 2.900 . 4.000 3.685 3.053 4.008 0.008 13 0 "[ . 1 . 2]" 1
574 1 127 CYS HA 1 145 LEU QD 4.350 . 6.900 3.818 3.480 4.075 . 0 0 "[ . 1 . 2]" 1
575 1 127 CYS HA 1 145 LEU HG 2.900 . 4.000 3.964 3.763 4.021 0.021 16 0 "[ . 1 . 2]" 1
576 1 127 CYS HB2 1 128 ARG H 2.750 . 3.700 2.797 2.459 3.206 . 0 0 "[ . 1 . 2]" 1
577 1 127 CYS HB2 1 132 LEU QB 3.400 . 5.000 4.162 3.357 5.006 0.006 7 0 "[ . 1 . 2]" 1
578 1 127 CYS HB2 1 132 LEU QD 4.850 . 7.900 4.534 3.858 5.378 . 0 0 "[ . 1 . 2]" 1
579 1 127 CYS HB2 1 134 SER QB 3.400 . 5.000 3.524 2.369 4.583 . 0 0 "[ . 1 . 2]" 1
580 1 127 CYS HB2 1 141 LEU QD 4.350 . 6.900 2.932 2.355 3.791 . 0 0 "[ . 1 . 2]" 1
581 1 127 CYS HB2 1 144 ALA MB 4.150 . 6.500 4.896 4.309 5.488 . 0 0 "[ . 1 . 2]" 1
582 1 127 CYS HB3 1 128 ARG H 3.400 . 5.000 3.406 2.940 3.667 . 0 0 "[ . 1 . 2]" 1
583 1 127 CYS HB3 1 132 LEU H 3.400 . 5.000 3.630 3.106 4.206 . 0 0 "[ . 1 . 2]" 1
584 1 127 CYS HB3 1 132 LEU QB 3.400 . 5.000 2.849 1.961 4.211 . 0 0 "[ . 1 . 2]" 1
585 1 127 CYS HB3 1 132 LEU QD 4.850 . 7.900 3.775 2.763 4.490 . 0 0 "[ . 1 . 2]" 1
586 1 127 CYS HB3 1 134 SER QB 3.900 . 6.000 3.213 2.010 4.278 . 0 0 "[ . 1 . 2]" 1
587 1 127 CYS HB3 1 141 LEU QD 4.350 . 6.900 3.732 3.088 4.056 . 0 0 "[ . 1 . 2]" 1
588 1 127 CYS HB3 1 144 ALA MB 4.150 . 6.500 4.365 3.491 5.237 . 0 0 "[ . 1 . 2]" 1
589 1 128 ARG H 1 128 ARG HA 2.400 . 3.000 2.812 2.806 2.819 . 0 0 "[ . 1 . 2]" 1
590 1 128 ARG H 1 128 ARG QB 2.900 . 4.000 2.157 2.067 2.407 . 0 0 "[ . 1 . 2]" 1
591 1 128 ARG H 1 129 ALA MB 3.500 . 5.200 4.309 4.226 4.379 . 0 0 "[ . 1 . 2]" 1
592 1 128 ARG H 1 130 TYR H 3.000 . 4.200 3.997 3.806 4.221 0.021 16 0 "[ . 1 . 2]" 1
593 1 128 ARG HA 1 128 ARG QD 3.400 . 5.000 3.462 2.203 4.196 . 0 0 "[ . 1 . 2]" 1
594 1 128 ARG HA 1 131 GLY H 3.400 . 5.000 3.501 3.333 3.805 . 0 0 "[ . 1 . 2]" 1
595 1 128 ARG QB 1 129 ALA H 2.900 . 4.000 2.758 2.641 3.586 . 0 0 "[ . 1 . 2]" 1
596 1 128 ARG QB 1 129 ALA HA 4.400 . 7.000 3.958 3.814 4.513 . 0 0 "[ . 1 . 2]" 1
597 1 128 ARG QB 1 129 ALA MB 4.150 . 6.500 3.783 3.623 4.572 . 0 0 "[ . 1 . 2]" 1
598 1 128 ARG QD 1 129 ALA HA 3.900 . 6.000 4.796 3.120 5.867 . 0 0 "[ . 1 . 2]" 1
599 1 128 ARG QD 1 129 ALA MB 4.650 . 7.500 4.929 3.662 5.928 . 0 0 "[ . 1 . 2]" 1
600 1 129 ALA H 1 129 ALA MB 3.150 . 4.500 2.186 2.077 2.275 . 0 0 "[ . 1 . 2]" 1
601 1 129 ALA H 1 130 TYR H 2.750 . 3.700 2.433 2.329 2.581 . 0 0 "[ . 1 . 2]" 1
602 1 129 ALA HA 1 130 TYR H 3.400 . 5.000 3.498 3.472 3.545 . 0 0 "[ . 1 . 2]" 1
603 1 129 ALA HA 1 130 TYR QD 3.900 . 6.000 4.992 4.531 5.972 . 0 0 "[ . 1 . 2]" 1
604 1 129 ALA HA 1 131 GLY H 3.150 . 4.500 4.181 3.587 4.503 0.003 18 0 "[ . 1 . 2]" 1
605 1 129 ALA MB 1 130 TYR H 3.500 . 5.200 2.746 2.475 2.850 . 0 0 "[ . 1 . 2]" 1
606 1 129 ALA MB 1 130 TYR HA 3.650 . 5.500 3.873 3.791 3.930 . 0 0 "[ . 1 . 2]" 1
607 1 129 ALA MB 1 130 TYR HB2 3.650 . 5.500 4.230 3.912 4.456 . 0 0 "[ . 1 . 2]" 1
608 1 129 ALA MB 1 130 TYR HB3 3.650 . 5.500 5.282 5.043 5.398 . 0 0 "[ . 1 . 2]" 1
609 1 129 ALA MB 1 130 TYR QD 4.150 . 6.500 3.054 2.347 4.225 . 0 0 "[ . 1 . 2]" 1
610 1 129 ALA MB 1 130 TYR QE 4.150 . 6.500 4.120 3.597 4.937 . 0 0 "[ . 1 . 2]" 1
611 1 129 ALA MB 1 131 GLY H 4.150 . 6.500 4.427 4.150 4.663 . 0 0 "[ . 1 . 2]" 1
612 1 130 TYR H 1 130 TYR HB2 2.750 . 3.700 2.202 2.190 2.243 . 0 0 "[ . 1 . 2]" 1
613 1 130 TYR H 1 130 TYR HB3 3.400 . 5.000 3.495 3.484 3.536 . 0 0 "[ . 1 . 2]" 1
614 1 130 TYR H 1 130 TYR QD 3.400 . 5.000 2.992 2.526 3.663 . 0 0 "[ . 1 . 2]" 1
615 1 130 TYR H 1 131 GLY H 2.750 . 3.700 2.388 2.334 2.615 . 0 0 "[ . 1 . 2]" 1
616 1 130 TYR H 1 131 GLY QA 3.900 . 6.000 4.303 4.261 4.416 . 0 0 "[ . 1 . 2]" 1
617 1 130 TYR HA 1 130 TYR HB2 2.900 . 4.000 2.978 2.972 3.000 . 0 0 "[ . 1 . 2]" 1
618 1 130 TYR HA 1 130 TYR HB3 2.900 . 4.000 2.671 2.622 2.679 . 0 0 "[ . 1 . 2]" 1
619 1 130 TYR HA 1 130 TYR QD 2.900 . 4.000 2.309 1.911 2.768 . 0 0 "[ . 1 . 2]" 1
620 1 130 TYR HA 1 130 TYR QE 3.400 . 5.000 4.266 4.135 4.440 . 0 0 "[ . 1 . 2]" 1
621 1 130 TYR HA 1 131 GLY H 3.400 . 5.000 3.434 3.172 3.528 . 0 0 "[ . 1 . 2]" 1
622 1 130 TYR HA 1 132 LEU QD 4.350 . 6.900 4.162 3.808 4.628 . 0 0 "[ . 1 . 2]" 1
623 1 130 TYR QB 1 132 LEU H 3.900 . 6.000 3.008 2.726 3.622 . 0 0 "[ . 1 . 2]" 1
624 1 130 TYR HB2 1 130 TYR QD 2.900 . 4.000 2.636 2.280 2.769 . 0 0 "[ . 1 . 2]" 1
625 1 130 TYR HB2 1 130 TYR QE 3.400 . 5.000 4.477 4.384 4.512 . 0 0 "[ . 1 . 2]" 1
626 1 130 TYR HB2 1 132 LEU QB 3.400 . 5.000 3.909 3.132 4.398 . 0 0 "[ . 1 . 2]" 1
627 1 130 TYR HB2 1 132 LEU QD 4.350 . 6.900 2.401 1.989 3.090 . 0 0 "[ . 1 . 2]" 1
628 1 130 TYR HB2 1 145 LEU QD 4.850 . 7.900 4.176 3.472 4.767 . 0 0 "[ . 1 . 2]" 1
629 1 130 TYR HB3 1 130 TYR QD 2.900 . 4.000 2.445 2.284 2.761 . 0 0 "[ . 1 . 2]" 1
630 1 130 TYR HB3 1 131 GLY H 3.400 . 5.000 3.686 3.366 4.202 . 0 0 "[ . 1 . 2]" 1
631 1 130 TYR HB3 1 132 LEU HA 3.400 . 5.000 4.864 4.578 5.020 0.020 6 0 "[ . 1 . 2]" 1
632 1 130 TYR HB3 1 132 LEU QD 4.350 . 6.900 2.182 1.914 2.660 . 0 0 "[ . 1 . 2]" 1
633 1 130 TYR QE 1 145 LEU QD 5.350 . 8.900 3.315 2.137 4.452 . 0 0 "[ . 1 . 2]" 1
634 1 131 GLY H 1 132 LEU H 2.750 . 3.700 2.416 2.189 2.865 . 0 0 "[ . 1 . 2]" 1
635 1 131 GLY QA 1 132 LEU H 3.250 . 4.700 2.838 2.666 2.906 . 0 0 "[ . 1 . 2]" 1
636 1 131 GLY QA 1 132 LEU HA 3.900 . 6.000 4.089 4.078 4.101 . 0 0 "[ . 1 . 2]" 1
637 1 132 LEU CA 1 134 SER H 3.150 . 4.500 4.116 3.232 4.541 0.041 15 0 "[ . 1 . 2]" 1
638 1 132 LEU H 1 132 LEU HA 2.750 . 3.700 2.884 2.881 2.889 . 0 0 "[ . 1 . 2]" 1
639 1 132 LEU H 1 132 LEU QB 2.900 . 4.000 2.422 2.084 2.619 . 0 0 "[ . 1 . 2]" 1
640 1 132 LEU H 1 132 LEU QD 4.000 . 6.200 2.791 2.110 3.093 . 0 0 "[ . 1 . 2]" 1
641 1 132 LEU HA 1 132 LEU QD 3.500 . 5.200 2.278 1.846 2.658 . 0 0 "[ . 1 . 2]" 1
642 1 132 LEU HA 1 132 LEU HG 2.900 . 4.000 3.160 2.664 3.680 . 0 0 "[ . 1 . 2]" 1
643 1 132 LEU HA 1 133 LYS H 2.400 . 3.000 2.626 2.368 3.092 0.092 7 0 "[ . 1 . 2]" 1
644 1 132 LEU HA 1 144 ALA MB 4.150 . 6.500 4.445 3.782 5.299 . 0 0 "[ . 1 . 2]" 1
645 1 132 LEU QB 1 133 LYS H 3.250 . 4.700 2.182 1.898 3.611 . 0 0 "[ . 1 . 2]" 1
646 1 132 LEU QB 1 134 SER H 3.900 . 6.000 2.919 2.256 3.713 . 0 0 "[ . 1 . 2]" 1
647 1 132 LEU QB 1 145 LEU QD 5.350 . 8.900 4.787 4.454 5.234 . 0 0 "[ . 1 . 2]" 1
648 1 132 LEU QD 1 133 LYS H 4.350 . 6.900 3.128 1.969 4.473 . 0 0 "[ . 1 . 2]" 1
649 1 132 LEU QD 1 134 SER QB 5.350 . 8.900 4.133 3.285 5.152 . 0 0 "[ . 1 . 2]" 1
650 1 132 LEU QD 1 144 ALA HA 4.850 . 7.900 2.881 2.161 3.560 . 0 0 "[ . 1 . 2]" 1
651 1 132 LEU QD 1 144 ALA MB 5.100 . 8.400 1.958 1.785 2.590 0.015 14 0 "[ . 1 . 2]" 1
652 1 132 LEU QD 1 145 LEU HA 4.350 . 6.900 2.988 2.193 4.152 . 0 0 "[ . 1 . 2]" 1
653 1 132 LEU QD 1 145 LEU HB2 4.350 . 6.900 4.804 4.038 5.982 . 0 0 "[ . 1 . 2]" 1
654 1 132 LEU QD 1 145 LEU QD 5.800 . 9.800 3.567 2.785 4.705 . 0 0 "[ . 1 . 2]" 1
655 1 132 LEU QD 1 147 LYS QB 5.350 . 8.900 3.992 3.425 4.992 . 0 0 "[ . 1 . 2]" 1
656 1 132 LEU QD 1 147 LYS QD 4.850 . 7.900 4.363 1.875 6.175 . 0 0 "[ . 1 . 2]" 1
657 1 132 LEU QD 1 148 HIS H 4.850 . 7.900 3.846 3.259 4.394 . 0 0 "[ . 1 . 2]" 1
658 1 132 LEU QD 1 148 HIS HA 4.350 . 6.900 4.011 3.482 4.430 . 0 0 "[ . 1 . 2]" 1
659 1 132 LEU QD 1 148 HIS HB2 4.350 . 6.900 2.521 1.866 3.169 . 0 0 "[ . 1 . 2]" 1
660 1 132 LEU QD 1 148 HIS HB3 4.350 . 6.900 3.551 2.817 4.386 . 0 0 "[ . 1 . 2]" 1
661 1 133 LYS H 1 133 LYS HA 2.400 . 3.000 2.894 2.270 2.942 . 0 0 "[ . 1 . 2]" 1
662 1 133 LYS H 1 133 LYS QB 2.900 . 4.000 2.588 2.247 3.224 . 0 0 "[ . 1 . 2]" 1
663 1 133 LYS H 1 134 SER H 2.750 . 3.700 2.623 2.134 3.741 0.041 17 0 "[ . 1 . 2]" 1
664 1 133 LYS HA 1 133 LYS QE 3.400 . 5.000 4.211 2.352 4.996 . 0 0 "[ . 1 . 2]" 1
665 1 133 LYS HA 1 133 LYS QG 2.900 . 4.000 2.532 2.069 3.400 . 0 0 "[ . 1 . 2]" 1
666 1 133 LYS HA 1 134 SER H 2.650 . 3.500 3.090 2.322 3.546 0.046 3 0 "[ . 1 . 2]" 1
667 1 133 LYS HA 1 134 SER QB 3.400 . 5.000 4.609 3.975 5.019 0.019 7 0 "[ . 1 . 2]" 1
668 1 133 LYS QB 1 133 LYS QE 3.900 . 6.000 3.174 2.017 3.798 . 0 0 "[ . 1 . 2]" 1
669 1 133 LYS QB 1 134 SER H 3.250 . 4.700 3.372 2.306 4.004 . 0 0 "[ . 1 . 2]" 1
670 1 133 LYS QD 1 135 GLY H 3.900 . 6.000 5.583 4.791 6.027 0.027 12 0 "[ . 1 . 2]" 1
671 1 133 LYS QE 1 135 GLY QA 4.400 . 7.000 5.571 3.323 7.001 0.001 17 0 "[ . 1 . 2]" 1
672 1 133 LYS QE 1 136 LEU QD 4.850 . 7.900 5.556 3.385 7.183 . 0 0 "[ . 1 . 2]" 1
673 1 134 SER H 1 134 SER HA 2.750 . 3.700 2.575 2.271 2.880 . 0 0 "[ . 1 . 2]" 1
674 1 134 SER H 1 134 SER QB 3.250 . 4.700 2.683 2.085 3.475 . 0 0 "[ . 1 . 2]" 1
675 1 134 SER H 1 136 LEU QD 4.850 . 7.900 6.791 4.919 7.911 0.011 11 0 "[ . 1 . 2]" 1
676 1 134 SER HA 1 135 GLY H 2.400 . 3.000 2.672 2.216 2.824 . 0 0 "[ . 1 . 2]" 1
677 1 134 SER HA 1 140 GLU QG 3.400 . 5.000 3.919 2.795 5.005 0.005 16 0 "[ . 1 . 2]" 1
678 1 134 SER HA 1 141 LEU QD 4.350 . 6.900 3.771 1.909 4.328 . 0 0 "[ . 1 . 2]" 1
679 1 134 SER HA 1 144 ALA MB 4.150 . 6.500 3.381 2.463 4.784 . 0 0 "[ . 1 . 2]" 1
680 1 134 SER QB 1 135 GLY H 3.250 . 4.700 2.220 1.864 3.046 . 0 0 "[ . 1 . 2]" 1
681 1 134 SER QB 1 141 LEU HA 3.400 . 5.000 2.636 1.808 3.697 . 0 0 "[ . 1 . 2]" 1
682 1 134 SER QB 1 141 LEU HB2 3.400 . 5.000 4.557 3.893 5.025 0.025 4 0 "[ . 1 . 2]" 1
683 1 134 SER QB 1 141 LEU QD 4.350 . 6.900 1.966 1.781 2.509 0.019 18 0 "[ . 1 . 2]" 1
684 1 134 SER QB 1 144 ALA MB 4.150 . 6.500 2.985 1.979 4.275 . 0 0 "[ . 1 . 2]" 1
685 1 134 SER QB 1 145 LEU QD 4.850 . 7.900 4.622 3.798 5.360 . 0 0 "[ . 1 . 2]" 1
686 1 135 GLY H 1 136 LEU QD 4.850 . 7.900 4.769 3.474 5.697 . 0 0 "[ . 1 . 2]" 1
687 1 135 GLY H 1 141 LEU HB2 3.400 . 5.000 5.003 4.915 5.057 0.057 18 0 "[ . 1 . 2]" 1
688 1 135 GLY H 1 141 LEU HB3 3.400 . 5.000 4.897 4.684 5.022 0.022 11 0 "[ . 1 . 2]" 1
689 1 135 GLY QA 1 136 LEU H 3.250 . 4.700 2.236 2.107 2.785 . 0 0 "[ . 1 . 2]" 1
690 1 135 GLY QA 1 136 LEU QD 4.850 . 7.900 3.509 2.301 4.487 . 0 0 "[ . 1 . 2]" 1
691 1 135 GLY QA 1 136 LEU HG 3.400 . 5.000 3.981 2.984 4.963 . 0 0 "[ . 1 . 2]" 1
692 1 135 GLY QA 1 140 GLU QB 4.400 . 7.000 3.480 1.916 5.567 . 0 0 "[ . 1 . 2]" 1
693 1 135 GLY QA 1 140 GLU QG 3.900 . 6.000 3.861 1.913 6.002 0.002 17 0 "[ . 1 . 2]" 1
694 1 136 LEU H 1 136 LEU HA 2.750 . 3.700 2.759 2.266 2.916 . 0 0 "[ . 1 . 2]" 1
695 1 136 LEU H 1 136 LEU QB 2.900 . 4.000 2.858 2.178 3.477 . 0 0 "[ . 1 . 2]" 1
696 1 136 LEU H 1 136 LEU QD 4.000 . 6.200 3.023 1.958 4.043 . 0 0 "[ . 1 . 2]" 1
697 1 136 LEU H 1 137 LYS H 2.750 . 3.700 2.705 1.778 3.757 0.057 14 0 "[ . 1 . 2]" 1
698 1 136 LEU HA 1 136 LEU QD 3.500 . 5.200 2.649 1.806 3.397 . 0 0 "[ . 1 . 2]" 1
699 1 136 LEU HA 1 137 LYS H 2.650 . 3.500 3.114 2.113 3.543 0.043 18 0 "[ . 1 . 2]" 1
700 1 136 LEU QD 1 137 LYS H 4.350 . 6.900 3.935 3.010 4.631 . 0 0 "[ . 1 . 2]" 1
701 1 137 LYS H 1 137 LYS HA 2.400 . 3.000 2.853 2.260 2.896 . 0 0 "[ . 1 . 2]" 1
702 1 137 LYS H 1 137 LYS HB2 2.400 . 3.000 2.675 2.102 3.042 0.042 6 0 "[ . 1 . 2]" 1
703 1 137 LYS H 1 137 LYS HB3 2.750 . 3.700 3.244 2.602 3.725 0.025 6 0 "[ . 1 . 2]" 1
704 1 137 LYS H 1 140 GLU QG 3.400 . 5.000 4.664 3.471 5.014 0.014 10 0 "[ . 1 . 2]" 1
705 1 137 LYS HA 1 137 LYS QD 2.900 . 4.000 3.316 1.900 4.052 0.052 12 0 "[ . 1 . 2]" 1
706 1 137 LYS HA 1 137 LYS QG 2.900 . 4.000 2.325 2.005 2.964 . 0 0 "[ . 1 . 2]" 1
707 1 137 LYS HA 1 138 LYS H 2.750 . 3.700 3.268 2.146 3.578 . 0 0 "[ . 1 . 2]" 1
708 1 137 LYS HA 1 141 LEU QD 4.350 . 6.900 5.037 4.177 5.885 . 0 0 "[ . 1 . 2]" 1
709 1 137 LYS HB2 1 140 GLU H 3.400 . 5.000 4.122 3.216 5.023 0.023 6 0 "[ . 1 . 2]" 1
710 1 137 LYS HB3 1 138 LYS H 2.750 . 3.700 3.092 1.781 3.777 0.077 11 0 "[ . 1 . 2]" 1
711 1 137 LYS QG 1 138 LYS H 3.900 . 6.000 4.040 2.408 4.693 . 0 0 "[ . 1 . 2]" 1
712 1 137 LYS QG 1 139 GLN H 3.400 . 5.000 4.420 2.981 5.049 0.049 14 0 "[ . 1 . 2]" 1
713 1 138 LYS H 1 138 LYS HA 2.750 . 3.700 2.526 2.266 2.788 . 0 0 "[ . 1 . 2]" 1
714 1 138 LYS H 1 141 LEU QD 4.850 . 7.900 3.054 2.162 4.147 . 0 0 "[ . 1 . 2]" 1
715 1 138 LYS H 1 141 LEU HG 3.150 . 4.500 4.328 3.895 4.566 0.066 18 0 "[ . 1 . 2]" 1
716 1 138 LYS HA 1 138 LYS QE 3.900 . 6.000 4.692 3.999 5.507 . 0 0 "[ . 1 . 2]" 1
717 1 138 LYS HA 1 138 LYS QG 2.900 . 4.000 2.753 2.225 3.338 . 0 0 "[ . 1 . 2]" 1
718 1 138 LYS HA 1 139 GLN H 3.400 . 5.000 3.557 3.536 3.575 . 0 0 "[ . 1 . 2]" 1
719 1 138 LYS HA 1 141 LEU H 3.400 . 5.000 3.659 3.048 3.970 . 0 0 "[ . 1 . 2]" 1
720 1 138 LYS HA 1 141 LEU QD 3.850 . 5.900 2.015 1.815 2.582 . 0 0 "[ . 1 . 2]" 1
721 1 138 LYS QD 1 142 LEU QD 4.350 . 6.900 4.248 2.379 6.082 . 0 0 "[ . 1 . 2]" 1
722 1 138 LYS QE 1 142 LEU QD 4.850 . 7.900 4.651 2.758 6.209 . 0 0 "[ . 1 . 2]" 1
723 1 138 LYS QG 1 139 GLN H 3.900 . 6.000 2.658 1.819 3.949 . 0 0 "[ . 1 . 2]" 1
724 1 139 GLN H 1 139 GLN HA 2.750 . 3.700 2.744 2.726 2.780 . 0 0 "[ . 1 . 2]" 1
725 1 139 GLN H 1 139 GLN HB2 2.400 . 3.000 2.274 2.103 3.105 0.105 20 0 "[ . 1 . 2]" 1
726 1 139 GLN H 1 139 GLN HB3 2.750 . 3.700 2.906 2.587 3.445 . 0 0 "[ . 1 . 2]" 1
727 1 139 GLN H 1 139 GLN QG 3.900 . 6.000 3.791 1.796 4.056 0.004 20 0 "[ . 1 . 2]" 1
728 1 139 GLN H 1 140 GLU H 3.400 . 5.000 2.825 2.727 2.892 . 0 0 "[ . 1 . 2]" 1
729 1 139 GLN H 1 141 LEU QD 4.850 . 7.900 4.605 4.147 4.977 . 0 0 "[ . 1 . 2]" 1
730 1 139 GLN HA 1 139 GLN HB2 2.400 . 3.000 2.612 2.467 2.929 . 0 0 "[ . 1 . 2]" 1
731 1 139 GLN HA 1 139 GLN HB3 2.400 . 3.000 2.958 2.262 3.016 0.016 14 0 "[ . 1 . 2]" 1
732 1 139 GLN HA 1 139 GLN QG 3.400 . 5.000 2.331 2.121 2.865 . 0 0 "[ . 1 . 2]" 1
733 1 139 GLN HA 1 142 LEU H 2.650 . 3.500 3.328 3.201 3.489 . 0 0 "[ . 1 . 2]" 1
734 1 139 GLN HA 1 142 LEU QB 3.400 . 5.000 2.784 2.388 3.403 . 0 0 "[ . 1 . 2]" 1
735 1 139 GLN HA 1 142 LEU QD 4.350 . 6.900 2.067 1.826 2.436 . 0 0 "[ . 1 . 2]" 1
736 1 139 GLN QB 1 141 LEU H 3.900 . 6.000 4.744 4.531 4.896 . 0 0 "[ . 1 . 2]" 1
737 1 139 GLN QB 1 142 LEU H 3.400 . 5.000 4.907 4.344 5.029 0.029 12 0 "[ . 1 . 2]" 1
738 1 139 GLN HB2 1 140 GLU H 2.750 . 3.700 3.667 2.799 3.756 0.056 18 0 "[ . 1 . 2]" 1
739 1 139 GLN HB3 1 142 LEU QB 3.900 . 6.000 4.757 3.840 5.277 . 0 0 "[ . 1 . 2]" 1
740 1 139 GLN QG 1 140 GLU HA 3.400 . 5.000 4.394 3.859 5.087 0.087 20 0 "[ . 1 . 2]" 1
741 1 139 GLN QG 1 142 LEU QB 4.400 . 7.000 3.226 2.695 5.327 . 0 0 "[ . 1 . 2]" 1
742 1 139 GLN QG 1 142 LEU QD 5.350 . 8.900 2.907 1.893 3.821 . 0 0 "[ . 1 . 2]" 1
743 1 140 GLU H 1 140 GLU QG 3.400 . 5.000 3.807 2.049 4.063 . 0 0 "[ . 1 . 2]" 1
744 1 140 GLU H 1 141 LEU H 2.750 . 3.700 2.757 2.479 2.920 . 0 0 "[ . 1 . 2]" 1
745 1 140 GLU HA 1 141 LEU H 2.720 . 3.640 3.530 3.490 3.563 . 0 0 "[ . 1 . 2]" 1
746 1 140 GLU HA 1 142 LEU H 3.400 . 5.000 4.448 4.234 4.727 . 0 0 "[ . 1 . 2]" 1
747 1 140 GLU HA 1 143 GLU H 2.650 . 3.500 3.538 3.519 3.591 0.091 11 0 "[ . 1 . 2]" 1
748 1 140 GLU QB 1 141 LEU H 2.900 . 4.000 2.635 2.477 2.794 . 0 0 "[ . 1 . 2]" 1
749 1 140 GLU QB 1 141 LEU QD 4.850 . 7.900 3.739 3.290 4.000 . 0 0 "[ . 1 . 2]" 1
750 1 140 GLU QB 1 142 LEU H 3.900 . 6.000 4.759 4.631 4.903 . 0 0 "[ . 1 . 2]" 1
751 1 140 GLU QG 1 141 LEU H 3.400 . 5.000 4.114 3.512 4.556 . 0 0 "[ . 1 . 2]" 1
752 1 141 LEU H 1 141 LEU HA 2.750 . 3.700 2.818 2.811 2.827 . 0 0 "[ . 1 . 2]" 1
753 1 141 LEU H 1 141 LEU HB2 2.750 . 3.700 2.455 2.317 2.589 . 0 0 "[ . 1 . 2]" 1
754 1 141 LEU H 1 141 LEU HB3 2.750 . 3.700 3.589 3.566 3.606 . 0 0 "[ . 1 . 2]" 1
755 1 141 LEU H 1 141 LEU QD 4.000 . 6.200 2.800 2.155 3.224 . 0 0 "[ . 1 . 2]" 1
756 1 141 LEU H 1 141 LEU HG 2.900 . 4.000 2.483 2.024 2.932 . 0 0 "[ . 1 . 2]" 1
757 1 141 LEU H 1 142 LEU H 2.750 . 3.700 2.656 2.600 2.709 . 0 0 "[ . 1 . 2]" 1
758 1 141 LEU HA 1 141 LEU HB2 2.900 . 4.000 3.022 3.007 3.027 . 0 0 "[ . 1 . 2]" 1
759 1 141 LEU HA 1 141 LEU HB3 2.900 . 4.000 2.512 2.438 2.590 . 0 0 "[ . 1 . 2]" 1
760 1 141 LEU HA 1 141 LEU QD 3.500 . 5.200 2.666 2.195 3.011 . 0 0 "[ . 1 . 2]" 1
761 1 141 LEU HA 1 141 LEU HG 2.400 . 3.000 2.643 2.426 3.023 0.023 18 0 "[ . 1 . 2]" 1
762 1 141 LEU HA 1 144 ALA H 2.650 . 3.500 3.518 3.511 3.526 0.026 2 0 "[ . 1 . 2]" 1
763 1 141 LEU HA 1 144 ALA MB 3.150 . 4.500 2.700 2.282 2.858 . 0 0 "[ . 1 . 2]" 1
764 1 141 LEU HA 1 145 LEU H 3.000 . 4.200 4.222 4.204 4.243 0.043 18 0 "[ . 1 . 2]" 1
765 1 141 LEU HB2 1 141 LEU HG 2.900 . 4.000 2.733 2.534 2.878 . 0 0 "[ . 1 . 2]" 1
766 1 141 LEU HB2 1 142 LEU H 2.400 . 3.000 2.501 2.241 2.640 . 0 0 "[ . 1 . 2]" 1
767 1 141 LEU HB2 1 142 LEU QD 4.350 . 6.900 3.139 2.535 4.403 . 0 0 "[ . 1 . 2]" 1
768 1 141 LEU HB2 1 142 LEU HG 3.900 . 6.000 4.580 3.001 5.753 . 0 0 "[ . 1 . 2]" 1
769 1 141 LEU HB3 1 142 LEU H 2.750 . 3.700 3.520 3.310 3.682 . 0 0 "[ . 1 . 2]" 1
770 1 142 LEU H 1 142 LEU HA 2.750 . 3.700 2.766 2.758 2.777 . 0 0 "[ . 1 . 2]" 1
771 1 142 LEU H 1 142 LEU QB 2.900 . 4.000 2.374 2.193 2.753 . 0 0 "[ . 1 . 2]" 1
772 1 142 LEU H 1 142 LEU QD 4.000 . 6.200 2.247 1.823 3.235 . 0 0 "[ . 1 . 2]" 1
773 1 142 LEU H 1 143 GLU H 2.400 . 3.000 2.887 2.820 2.942 . 0 0 "[ . 1 . 2]" 1
774 1 142 LEU H 1 144 ALA H 3.150 . 4.500 4.379 4.151 4.509 0.009 16 0 "[ . 1 . 2]" 1
775 1 142 LEU HA 1 142 LEU QD 3.500 . 5.200 2.437 1.878 2.959 . 0 0 "[ . 1 . 2]" 1
776 1 142 LEU HA 1 142 LEU HG 2.900 . 4.000 2.766 2.227 3.691 . 0 0 "[ . 1 . 2]" 1
777 1 142 LEU HA 1 143 GLU H 3.400 . 5.000 3.564 3.557 3.592 . 0 0 "[ . 1 . 2]" 1
778 1 142 LEU HA 1 145 LEU H 2.650 . 3.500 3.523 3.505 3.538 0.038 16 0 "[ . 1 . 2]" 1
779 1 142 LEU HA 1 146 THR H 3.000 . 4.200 3.768 3.630 4.154 . 0 0 "[ . 1 . 2]" 1
780 1 142 LEU QB 1 143 GLU H 2.900 . 4.000 2.352 2.240 2.464 . 0 0 "[ . 1 . 2]" 1
781 1 142 LEU QB 1 146 THR MG 4.650 . 7.500 4.990 4.672 5.610 . 0 0 "[ . 1 . 2]" 1
782 1 142 LEU QD 1 143 GLU H 4.350 . 6.900 3.742 3.584 3.922 . 0 0 "[ . 1 . 2]" 1
783 1 142 LEU QD 1 144 ALA H 4.350 . 6.900 5.366 5.084 5.671 . 0 0 "[ . 1 . 2]" 1
784 1 142 LEU QD 1 145 LEU H 4.350 . 6.900 5.035 4.450 5.336 . 0 0 "[ . 1 . 2]" 1
785 1 143 GLU H 1 143 GLU HA 2.400 . 3.000 2.759 2.744 2.792 . 0 0 "[ . 1 . 2]" 1
786 1 143 GLU H 1 143 GLU QB 2.900 . 4.000 2.193 2.065 2.615 . 0 0 "[ . 1 . 2]" 1
787 1 143 GLU H 1 143 GLU QG 3.400 . 5.000 3.317 2.091 3.966 . 0 0 "[ . 1 . 2]" 1
788 1 143 GLU HA 1 144 ALA H 2.900 . 4.000 3.570 3.548 3.578 . 0 0 "[ . 1 . 2]" 1
789 1 143 GLU HA 1 146 THR H 2.650 . 3.500 3.543 3.525 3.555 0.055 13 0 "[ . 1 . 2]" 1
790 1 143 GLU HA 1 146 THR MG 3.650 . 5.500 3.424 2.756 3.908 . 0 0 "[ . 1 . 2]" 1
791 1 143 GLU QB 1 144 ALA H 2.900 . 4.000 2.460 2.282 3.349 . 0 0 "[ . 1 . 2]" 1
792 1 143 GLU QB 1 144 ALA MB 4.150 . 6.500 3.795 3.665 4.585 . 0 0 "[ . 1 . 2]" 1
793 1 143 GLU QG 1 144 ALA HA 4.400 . 7.000 4.922 3.268 5.755 . 0 0 "[ . 1 . 2]" 1
794 1 143 GLU QG 1 144 ALA MB 4.650 . 7.500 5.068 3.131 5.541 . 0 0 "[ . 1 . 2]" 1
795 1 144 ALA H 1 144 ALA HA 2.400 . 3.000 2.771 2.765 2.780 . 0 0 "[ . 1 . 2]" 1
796 1 144 ALA H 1 144 ALA MB 3.150 . 4.500 2.110 2.032 2.238 . 0 0 "[ . 1 . 2]" 1
797 1 144 ALA H 1 145 LEU QD 4.350 . 6.900 4.552 4.190 4.908 . 0 0 "[ . 1 . 2]" 1
798 1 144 ALA HA 1 145 LEU H 2.750 . 3.700 3.533 3.522 3.556 . 0 0 "[ . 1 . 2]" 1
799 1 144 ALA HA 1 147 LYS H 2.900 . 4.000 4.024 4.001 4.056 0.056 16 0 "[ . 1 . 2]" 1
800 1 144 ALA HA 1 147 LYS QB 3.400 . 5.000 3.216 2.663 4.108 . 0 0 "[ . 1 . 2]" 1
801 1 144 ALA HA 1 147 LYS QD 3.900 . 6.000 3.700 2.273 5.671 . 0 0 "[ . 1 . 2]" 1
802 1 144 ALA MB 1 145 LEU H 3.500 . 5.200 2.554 2.434 2.667 . 0 0 "[ . 1 . 2]" 1
803 1 144 ALA MB 1 145 LEU HA 3.650 . 5.500 3.761 3.691 3.848 . 0 0 "[ . 1 . 2]" 1
804 1 144 ALA MB 1 145 LEU QD 4.600 . 7.400 3.543 2.904 4.005 . 0 0 "[ . 1 . 2]" 1
805 1 144 ALA MB 1 148 HIS H 4.150 . 6.500 5.026 4.870 5.162 . 0 0 "[ . 1 . 2]" 1
806 1 145 LEU H 1 145 LEU HB2 2.400 . 3.000 2.208 2.162 2.233 . 0 0 "[ . 1 . 2]" 1
807 1 145 LEU H 1 145 LEU HB3 2.750 . 3.700 3.506 3.477 3.524 . 0 0 "[ . 1 . 2]" 1
808 1 145 LEU H 1 145 LEU QD 4.000 . 6.200 2.864 2.538 3.158 . 0 0 "[ . 1 . 2]" 1
809 1 145 LEU H 1 146 THR H 2.750 . 3.700 2.745 2.615 2.835 . 0 0 "[ . 1 . 2]" 1
810 1 145 LEU HA 1 145 LEU HB2 2.400 . 3.000 2.989 2.973 2.995 . 0 0 "[ . 1 . 2]" 1
811 1 145 LEU HA 1 145 LEU HB3 2.400 . 3.000 2.633 2.617 2.674 . 0 0 "[ . 1 . 2]" 1
812 1 145 LEU HA 1 145 LEU QD 3.500 . 5.200 2.788 2.504 2.998 . 0 0 "[ . 1 . 2]" 1
813 1 145 LEU HA 1 148 HIS H 2.650 . 3.500 3.554 3.545 3.575 0.075 18 0 "[ . 1 . 2]" 1
814 1 145 LEU HA 1 148 HIS HB2 2.900 . 4.000 3.189 2.765 3.623 . 0 0 "[ . 1 . 2]" 1
815 1 145 LEU HA 1 148 HIS HB3 2.900 . 4.000 3.223 2.967 3.466 . 0 0 "[ . 1 . 2]" 1
816 1 145 LEU HB2 1 146 THR H 2.750 . 3.700 2.384 2.328 2.563 . 0 0 "[ . 1 . 2]" 1
817 1 145 LEU HB2 1 146 THR HB 3.400 . 5.000 4.472 4.359 4.712 . 0 0 "[ . 1 . 2]" 1
818 1 145 LEU HB2 1 146 THR MG 3.650 . 5.500 5.554 5.524 5.582 0.082 11 0 "[ . 1 . 2]" 1
819 1 145 LEU HB3 1 146 THR H 3.400 . 5.000 2.930 2.690 3.189 . 0 0 "[ . 1 . 2]" 1
820 1 145 LEU HB3 1 146 THR HA 3.400 . 5.000 3.920 3.786 4.037 . 0 0 "[ . 1 . 2]" 1
821 1 145 LEU HB3 1 146 THR HB 3.400 . 5.000 5.034 5.012 5.048 0.048 11 0 "[ . 1 . 2]" 1
822 1 145 LEU QD 1 148 HIS HA 4.350 . 6.900 6.611 6.265 6.909 0.009 4 0 "[ . 1 . 2]" 1
823 1 145 LEU QD 1 148 HIS HB2 4.350 . 6.900 4.916 4.366 5.435 . 0 0 "[ . 1 . 2]" 1
824 1 145 LEU QD 1 148 HIS HB3 4.350 . 6.900 4.442 3.954 4.840 . 0 0 "[ . 1 . 2]" 1
825 1 146 THR H 1 146 THR HA 2.750 . 3.700 2.748 2.732 2.759 . 0 0 "[ . 1 . 2]" 1
826 1 146 THR H 1 146 THR HB 2.750 . 3.700 2.237 2.053 2.462 . 0 0 "[ . 1 . 2]" 1
827 1 146 THR H 1 146 THR MG 3.650 . 5.500 3.645 3.413 3.729 . 0 0 "[ . 1 . 2]" 1
828 1 146 THR H 1 147 LYS H 2.750 . 3.700 2.969 2.920 3.034 . 0 0 "[ . 1 . 2]" 1
829 1 146 THR HA 1 146 THR HB 2.400 . 3.000 2.975 2.875 3.014 0.014 11 0 "[ . 1 . 2]" 1
830 1 146 THR HA 1 146 THR MG 3.150 . 4.500 2.686 2.495 2.936 . 0 0 "[ . 1 . 2]" 1
831 1 146 THR HA 1 147 LYS QB 3.900 . 6.000 5.339 5.194 5.571 . 0 0 "[ . 1 . 2]" 1
832 1 146 THR HA 1 148 HIS H 3.400 . 5.000 4.014 3.941 4.128 . 0 0 "[ . 1 . 2]" 1
833 1 146 THR HA 1 149 PHE H 2.650 . 3.500 3.439 3.316 3.521 0.021 19 0 "[ . 1 . 2]" 1
834 1 146 THR HA 1 149 PHE HB2 3.400 . 5.000 3.985 3.046 4.602 . 0 0 "[ . 1 . 2]" 1
835 1 146 THR HA 1 149 PHE HB3 3.400 . 5.000 4.161 3.416 4.624 . 0 0 "[ . 1 . 2]" 1
836 1 146 THR HA 1 150 GLN QB 3.900 . 6.000 4.191 2.724 5.336 . 0 0 "[ . 1 . 2]" 1
837 1 146 THR HA 1 150 GLN QG 3.900 . 6.000 4.877 3.819 5.695 . 0 0 "[ . 1 . 2]" 1
838 1 146 THR HB 1 147 LYS H 2.400 . 3.000 2.540 2.334 2.888 . 0 0 "[ . 1 . 2]" 1
839 1 146 THR HB 1 147 LYS QG 3.900 . 6.000 4.926 3.708 6.004 0.004 4 0 "[ . 1 . 2]" 1
840 1 146 THR HB 1 148 HIS H 3.400 . 5.000 4.824 4.693 4.998 . 0 0 "[ . 1 . 2]" 1
841 1 146 THR HB 1 150 GLN QB 3.900 . 6.000 4.923 4.179 5.953 . 0 0 "[ . 1 . 2]" 1
842 1 146 THR HB 1 150 GLN QG 3.900 . 6.000 5.424 4.003 6.007 0.007 9 0 "[ . 1 . 2]" 1
843 1 146 THR MG 1 147 LYS H 3.650 . 5.500 2.607 2.002 3.190 . 0 0 "[ . 1 . 2]" 1
844 1 146 THR MG 1 150 GLN HA 3.650 . 5.500 3.639 2.944 4.570 . 0 0 "[ . 1 . 2]" 1
845 1 146 THR MG 1 150 GLN QB 4.150 . 6.500 2.581 1.832 3.560 . 0 0 "[ . 1 . 2]" 1
846 1 146 THR MG 1 150 GLN QG 4.150 . 6.500 3.034 1.794 4.043 0.006 15 0 "[ . 1 . 2]" 1
847 1 147 LYS H 1 147 LYS QB 2.900 . 4.000 2.240 2.057 2.529 . 0 0 "[ . 1 . 2]" 1
848 1 147 LYS H 1 147 LYS QG 3.400 . 5.000 3.077 2.087 4.035 . 0 0 "[ . 1 . 2]" 1
849 1 147 LYS H 1 148 HIS H 2.750 . 3.700 2.817 2.791 2.851 . 0 0 "[ . 1 . 2]" 1
850 1 147 LYS HA 1 147 LYS QD 3.400 . 5.000 3.666 2.305 4.505 . 0 0 "[ . 1 . 2]" 1
851 1 147 LYS HA 1 147 LYS QG 3.400 . 5.000 2.637 2.030 3.395 . 0 0 "[ . 1 . 2]" 1
852 1 147 LYS HA 1 150 GLN H 2.650 . 3.500 3.492 3.372 3.531 0.031 8 0 "[ . 1 . 2]" 1
853 1 147 LYS HA 1 150 GLN QB 3.400 . 5.000 2.719 1.992 3.652 . 0 0 "[ . 1 . 2]" 1
854 1 147 LYS QB 1 148 HIS H 3.250 . 4.700 3.069 2.723 3.592 . 0 0 "[ . 1 . 2]" 1
855 1 148 HIS H 1 148 HIS HA 2.750 . 3.700 2.866 2.824 2.917 . 0 0 "[ . 1 . 2]" 1
856 1 148 HIS H 1 148 HIS HB2 2.750 . 3.700 2.358 2.242 2.452 . 0 0 "[ . 1 . 2]" 1
857 1 148 HIS H 1 148 HIS HB3 2.750 . 3.700 2.789 2.662 2.874 . 0 0 "[ . 1 . 2]" 1
858 1 148 HIS HA 1 148 HIS HB2 2.400 . 3.000 2.608 2.540 2.646 . 0 0 "[ . 1 . 2]" 1
859 1 148 HIS HA 1 148 HIS HB3 2.400 . 3.000 2.998 2.985 3.014 0.014 17 0 "[ . 1 . 2]" 1
860 1 148 HIS HB2 1 149 PHE H 3.400 . 5.000 4.000 3.457 4.342 . 0 0 "[ . 1 . 2]" 1
861 1 148 HIS HB3 1 149 PHE H 3.400 . 5.000 3.208 2.184 3.865 . 0 0 "[ . 1 . 2]" 1
862 1 149 PHE H 1 149 PHE HB2 3.400 . 5.000 2.685 2.200 2.826 . 0 0 "[ . 1 . 2]" 1
863 1 149 PHE H 1 149 PHE HB3 2.750 . 3.700 3.411 3.217 3.477 . 0 0 "[ . 1 . 2]" 1
864 1 149 PHE HA 1 149 PHE HB2 2.400 . 3.000 2.841 2.829 2.849 . 0 0 "[ . 1 . 2]" 1
865 1 149 PHE HA 1 149 PHE HB3 2.900 . 4.000 2.864 2.851 2.876 . 0 0 "[ . 1 . 2]" 1
866 1 149 PHE HA 1 150 GLN H 3.400 . 5.000 2.996 2.736 3.360 . 0 0 "[ . 1 . 2]" 1
867 1 149 PHE HB2 1 149 PHE QD 2.900 . 4.000 2.302 2.266 2.371 . 0 0 "[ . 1 . 2]" 1
868 1 149 PHE HB2 1 149 PHE QE 3.400 . 5.000 4.379 4.370 4.398 . 0 0 "[ . 1 . 2]" 1
869 1 149 PHE HB2 1 150 GLN H 3.400 . 5.000 4.239 3.764 4.487 . 0 0 "[ . 1 . 2]" 1
870 1 149 PHE HB3 1 149 PHE QD 2.900 . 4.000 2.699 2.467 2.764 . 0 0 "[ . 1 . 2]" 1
871 1 149 PHE HB3 1 149 PHE QE 3.400 . 5.000 4.489 4.435 4.510 . 0 0 "[ . 1 . 2]" 1
872 1 149 PHE HB3 1 150 GLN H 3.400 . 5.000 4.105 3.635 4.288 . 0 0 "[ . 1 . 2]" 1
873 1 150 GLN H 1 150 GLN HA 2.750 . 3.700 2.853 2.843 2.871 . 0 0 "[ . 1 . 2]" 1
874 1 150 GLN H 1 150 GLN QB 2.900 . 4.000 2.456 2.080 2.894 . 0 0 "[ . 1 . 2]" 1
875 1 150 GLN H 1 150 GLN QG 3.400 . 5.000 3.341 1.945 4.274 . 0 0 "[ . 1 . 2]" 1
876 1 150 GLN H 1 151 ASP H 3.400 . 5.000 4.220 2.990 4.607 . 0 0 "[ . 1 . 2]" 1
877 1 150 GLN HA 1 150 GLN QG 3.400 . 5.000 2.568 2.017 3.351 . 0 0 "[ . 1 . 2]" 1
878 1 150 GLN HA 1 151 ASP H 2.400 . 3.000 2.341 2.140 3.018 0.018 20 0 "[ . 1 . 2]" 1
879 1 150 GLN QB 1 151 ASP H 3.250 . 4.700 3.366 1.979 4.027 . 0 0 "[ . 1 . 2]" 1
880 1 151 ASP H 1 151 ASP QB 3.250 . 4.700 2.780 2.126 3.392 . 0 0 "[ . 1 . 2]" 1
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