NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
458967 |
2kue   |
16733 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kue
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 1519
_Distance_constraint_stats_list.Viol_count 2506
_Distance_constraint_stats_list.Viol_total 3067.684
_Distance_constraint_stats_list.Viol_max 0.264
_Distance_constraint_stats_list.Viol_rms 0.0125
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0408
_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 4 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 5 PRO 0.234 0.075 14 0 "[ . 1 . 2 . 3]"
1 6 GLU 0.579 0.077 7 0 "[ . 1 . 2 . 3]"
1 7 GLN 2.890 0.119 16 0 "[ . 1 . 2 . 3]"
1 8 ARG 2.013 0.264 6 0 "[ . 1 . 2 . 3]"
1 9 GLU 1.973 0.264 6 0 "[ . 1 . 2 . 3]"
1 10 ILE 2.726 0.124 27 0 "[ . 1 . 2 . 3]"
1 11 PRO 0.390 0.052 17 0 "[ . 1 . 2 . 3]"
1 12 ASP 1.455 0.133 17 0 "[ . 1 . 2 . 3]"
1 13 VAL 1.144 0.088 30 0 "[ . 1 . 2 . 3]"
1 14 SER 3.259 0.133 17 0 "[ . 1 . 2 . 3]"
1 15 THR 0.161 0.066 30 0 "[ . 1 . 2 . 3]"
1 16 LEU 2.888 0.097 12 0 "[ . 1 . 2 . 3]"
1 17 THR 2.635 0.132 27 0 "[ . 1 . 2 . 3]"
1 18 TYR 1.584 0.112 14 0 "[ . 1 . 2 . 3]"
1 19 ALA 0.184 0.029 20 0 "[ . 1 . 2 . 3]"
1 20 GLU 2.503 0.132 27 0 "[ . 1 . 2 . 3]"
1 21 ALA 3.248 0.097 12 0 "[ . 1 . 2 . 3]"
1 22 VAL 1.249 0.068 20 0 "[ . 1 . 2 . 3]"
1 23 LYS 4.832 0.153 12 0 "[ . 1 . 2 . 3]"
1 24 LYS 0.968 0.059 1 0 "[ . 1 . 2 . 3]"
1 25 LEU 2.821 0.091 11 0 "[ . 1 . 2 . 3]"
1 26 THR 4.322 0.146 13 0 "[ . 1 . 2 . 3]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 28 ALA 2.435 0.091 11 0 "[ . 1 . 2 . 3]"
1 29 GLY 1.177 0.050 12 0 "[ . 1 . 2 . 3]"
1 30 PHE 0.593 0.050 12 0 "[ . 1 . 2 . 3]"
1 31 GLY 0.007 0.007 24 0 "[ . 1 . 2 . 3]"
1 32 ARG 1.445 0.143 3 0 "[ . 1 . 2 . 3]"
1 33 PHE 1.552 0.143 3 0 "[ . 1 . 2 . 3]"
1 34 LYS 1.398 0.078 12 0 "[ . 1 . 2 . 3]"
1 35 GLN 0.136 0.029 8 0 "[ . 1 . 2 . 3]"
1 36 ALA 0.051 0.051 20 0 "[ . 1 . 2 . 3]"
1 37 ASN 0.105 0.026 14 0 "[ . 1 . 2 . 3]"
1 38 SER 0.128 0.034 11 0 "[ . 1 . 2 . 3]"
1 39 PRO 0.096 0.033 10 0 "[ . 1 . 2 . 3]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 41 THR 4.273 0.201 9 0 "[ . 1 . 2 . 3]"
1 42 PRO 2.431 0.140 26 0 "[ . 1 . 2 . 3]"
1 43 GLU 1.835 0.201 9 0 "[ . 1 . 2 . 3]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 45 VAL 0.116 0.027 10 0 "[ . 1 . 2 . 3]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 LYS 0.013 0.013 30 0 "[ . 1 . 2 . 3]"
1 48 VAL 1.045 0.090 11 0 "[ . 1 . 2 . 3]"
1 49 ILE 0.378 0.061 9 0 "[ . 1 . 2 . 3]"
1 50 GLY 0.616 0.181 8 0 "[ . 1 . 2 . 3]"
1 51 THR 0.412 0.050 11 0 "[ . 1 . 2 . 3]"
1 52 ASN 1.337 0.103 22 0 "[ . 1 . 2 . 3]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 54 PRO 1.888 0.191 10 0 "[ . 1 . 2 . 3]"
1 55 ALA 1.062 0.076 15 0 "[ . 1 . 2 . 3]"
1 56 ASN 4.546 0.126 8 0 "[ . 1 . 2 . 3]"
1 57 GLN 2.881 0.191 10 0 "[ . 1 . 2 . 3]"
1 58 THR 2.282 0.119 16 0 "[ . 1 . 2 . 3]"
1 59 SER 0.088 0.088 1 0 "[ . 1 . 2 . 3]"
1 60 ALA 2.325 0.146 23 0 "[ . 1 . 2 . 3]"
1 61 ILE 0.239 0.088 1 0 "[ . 1 . 2 . 3]"
1 62 THR 1.565 0.088 24 0 "[ . 1 . 2 . 3]"
1 63 ASN 3.484 0.146 23 0 "[ . 1 . 2 . 3]"
1 64 VAL 0.613 0.070 14 0 "[ . 1 . 2 . 3]"
1 65 VAL 0.115 0.065 15 0 "[ . 1 . 2 . 3]"
1 66 ILE 1.394 0.070 21 0 "[ . 1 . 2 . 3]"
1 67 ILE 2.329 0.181 8 0 "[ . 1 . 2 . 3]"
1 68 ILE 1.182 0.063 6 0 "[ . 1 . 2 . 3]"
1 69 VAL 0.385 0.073 20 0 "[ . 1 . 2 . 3]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 71 SER 0.220 0.033 10 0 "[ . 1 . 2 . 3]"
1 72 GLY 0.153 0.030 4 0 "[ . 1 . 2 . 3]"
1 73 PRO 1.015 0.095 4 0 "[ . 1 . 2 . 3]"
1 74 ALA 1.628 0.095 4 0 "[ . 1 . 2 . 3]"
1 75 THR 4.011 0.164 12 0 "[ . 1 . 2 . 3]"
1 76 LYS 1.158 0.081 13 0 "[ . 1 . 2 . 3]"
1 77 ASP 0.124 0.038 10 0 "[ . 1 . 2 . 3]"
1 78 ILE 0.943 0.062 12 0 "[ . 1 . 2 . 3]"
1 79 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 80 ASP 0.995 0.115 24 0 "[ . 1 . 2 . 3]"
1 81 VAL 0.588 0.094 17 0 "[ . 1 . 2 . 3]"
1 82 ALA 1.000 0.115 24 0 "[ . 1 . 2 . 3]"
1 83 GLY 1.806 0.102 19 0 "[ . 1 . 2 . 3]"
1 84 GLN 4.061 0.157 19 0 "[ . 1 . 2 . 3]"
1 85 THR 9.125 0.188 24 0 "[ . 1 . 2 . 3]"
1 86 VAL 0.254 0.052 26 0 "[ . 1 . 2 . 3]"
1 87 ASP 1.101 0.116 28 0 "[ . 1 . 2 . 3]"
1 88 VAL 7.958 0.188 24 0 "[ . 1 . 2 . 3]"
1 89 ALA 2.421 0.091 30 0 "[ . 1 . 2 . 3]"
1 90 GLN 0.987 0.066 4 0 "[ . 1 . 2 . 3]"
1 91 LYS 3.683 0.095 28 0 "[ . 1 . 2 . 3]"
1 92 ASN 3.525 0.095 28 0 "[ . 1 . 2 . 3]"
1 93 LEU 0.268 0.061 21 0 "[ . 1 . 2 . 3]"
1 94 ASN 3.218 0.135 23 0 "[ . 1 . 2 . 3]"
1 95 VAL 0.327 0.039 28 0 "[ . 1 . 2 . 3]"
1 96 TYR 0.165 0.039 30 0 "[ . 1 . 2 . 3]"
1 97 GLY 2.523 0.135 23 0 "[ . 1 . 2 . 3]"
1 98 PHE 2.104 0.083 21 0 "[ . 1 . 2 . 3]"
1 99 THR 1.596 0.083 21 0 "[ . 1 . 2 . 3]"
1 100 LYS 0.446 0.102 13 0 "[ . 1 . 2 . 3]"
1 101 PHE 0.896 0.061 2 0 "[ . 1 . 2 . 3]"
1 102 SER 0.209 0.038 21 0 "[ . 1 . 2 . 3]"
1 103 GLN 0.199 0.052 26 0 "[ . 1 . 2 . 3]"
1 104 ALA 0.127 0.031 26 0 "[ . 1 . 2 . 3]"
1 105 SER 1.331 0.106 10 0 "[ . 1 . 2 . 3]"
1 106 VAL 0.544 0.082 20 0 "[ . 1 . 2 . 3]"
1 107 ASP 0.217 0.030 17 0 "[ . 1 . 2 . 3]"
1 108 SER 0.410 0.124 16 0 "[ . 1 . 2 . 3]"
1 109 PRO 0.180 0.099 13 0 "[ . 1 . 2 . 3]"
1 110 ARG 1.783 0.148 3 0 "[ . 1 . 2 . 3]"
1 111 PRO 0.190 0.049 29 0 "[ . 1 . 2 . 3]"
1 112 ALA 0.159 0.055 2 0 "[ . 1 . 2 . 3]"
1 113 GLY 0.468 0.092 9 0 "[ . 1 . 2 . 3]"
1 114 GLU 0.402 0.109 21 0 "[ . 1 . 2 . 3]"
1 115 VAL 0.538 0.099 29 0 "[ . 1 . 2 . 3]"
1 116 THR 0.870 0.079 20 0 "[ . 1 . 2 . 3]"
1 117 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 118 THR 1.803 0.075 11 0 "[ . 1 . 2 . 3]"
1 119 ASN 3.319 0.080 16 0 "[ . 1 . 2 . 3]"
1 120 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 121 PRO 0.266 0.034 13 0 "[ . 1 . 2 . 3]"
1 122 ALA 1.280 0.062 12 0 "[ . 1 . 2 . 3]"
1 123 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 124 THR 0.830 0.056 20 0 "[ . 1 . 2 . 3]"
1 125 THR 0.819 0.071 21 0 "[ . 1 . 2 . 3]"
1 126 VAL 0.101 0.031 8 0 "[ . 1 . 2 . 3]"
1 127 PRO 0.574 0.081 13 0 "[ . 1 . 2 . 3]"
1 128 VAL 4.440 0.164 12 0 "[ . 1 . 2 . 3]"
1 129 ASP 1.487 0.109 14 0 "[ . 1 . 2 . 3]"
1 130 SER 1.242 0.109 14 0 "[ . 1 . 2 . 3]"
1 131 VAL 0.478 0.128 28 0 "[ . 1 . 2 . 3]"
1 132 ILE 0.178 0.046 20 0 "[ . 1 . 2 . 3]"
1 133 GLU 5.986 0.184 4 0 "[ . 1 . 2 . 3]"
1 134 LEU 2.874 0.195 23 0 "[ . 1 . 2 . 3]"
1 135 GLN 1.628 0.195 23 0 "[ . 1 . 2 . 3]"
1 136 VAL 1.831 0.113 14 0 "[ . 1 . 2 . 3]"
1 137 SER 1.105 0.109 21 0 "[ . 1 . 2 . 3]"
1 138 LYS 1.889 0.124 16 0 "[ . 1 . 2 . 3]"
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 4 GLY H 1 5 PRO QD 5.710 . 5.710 4.158 3.436 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 4 GLY H 1 5 PRO HD3 5.500 . 5.500 4.590 3.574 5.102 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 4 GLY H 1 5 PRO HD2 5.500 . 5.500 4.832 4.195 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 5 PRO HA 1 6 GLU H 2.830 . 2.830 2.209 2.105 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 5 PRO HA 1 7 GLN H 4.260 . 4.260 3.775 3.243 4.335 0.075 14 0 "[ . 1 . 2 . 3]" 1
6 1 6 GLU HA 1 7 GLN H 3.080 . 3.080 2.890 2.279 3.157 0.077 7 0 "[ . 1 . 2 . 3]" 1
7 1 6 GLU QG 1 7 GLN H 5.200 . 5.200 3.691 2.920 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 6 GLU QG 1 60 ALA MB 5.810 . 5.810 2.773 2.019 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 6 GLU QG 1 61 ILE MD 6.900 . 6.900 4.851 3.789 5.904 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 6 GLU QG 1 61 ILE H 5.370 . 5.370 3.189 1.998 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 6 GLU H 1 6 GLU QB 3.030 . 3.030 2.821 2.629 3.092 0.062 23 0 "[ . 1 . 2 . 3]" 1
12 1 6 GLU H 1 6 GLU QG 4.100 . 4.100 2.443 1.916 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 6 GLU H 1 6 GLU HG3 3.990 . 3.990 3.304 2.313 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 6 GLU H 1 6 GLU HG2 3.990 . 3.990 2.573 1.927 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 6 GLU H 1 7 GLN H 3.410 . 3.410 2.590 1.970 3.437 0.027 14 0 "[ . 1 . 2 . 3]" 1
16 1 6 GLU H 1 61 ILE MD 6.530 . 6.530 6.174 5.208 6.566 0.036 26 0 "[ . 1 . 2 . 3]" 1
17 1 7 GLN HA 1 8 ARG H 3.000 . 3.000 2.149 2.056 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 7 GLN HA 1 61 ILE MD 5.460 . 5.460 3.906 2.929 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 7 GLN QB 1 8 ARG H 3.620 . 3.620 2.947 2.551 3.264 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 7 GLN QB 1 58 THR H 4.340 . 4.340 4.204 3.966 4.358 0.018 23 0 "[ . 1 . 2 . 3]" 1
21 1 7 GLN QB 1 59 SER QB 5.500 . 5.500 4.496 4.255 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 7 GLN QB 1 59 SER H 3.810 . 3.810 3.205 2.752 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 7 GLN QB 1 60 ALA H 4.030 . 4.030 3.885 3.601 4.068 0.038 12 0 "[ . 1 . 2 . 3]" 1
24 1 7 GLN HB3 1 58 THR H 5.010 . 5.010 4.504 4.147 4.851 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 7 GLN HB2 1 58 THR H 5.010 . 5.010 5.057 4.919 5.129 0.119 16 0 "[ . 1 . 2 . 3]" 1
26 1 7 GLN QE 1 60 ALA MB 6.240 . 6.240 3.482 2.530 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 7 GLN QE 1 60 ALA H 5.780 . 5.780 4.422 2.863 5.497 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 7 GLN HE21 1 60 ALA MB 6.140 . 6.140 3.602 2.553 4.996 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 7 GLN HE22 1 60 ALA MB 6.140 . 6.140 4.800 4.108 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 7 GLN QG 1 8 ARG H 5.200 . 5.200 4.103 3.957 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 7 GLN QG 1 59 SER HA 5.360 . 5.360 3.355 2.705 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 7 GLN QG 1 59 SER H 6.220 . 6.220 4.637 4.343 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 7 GLN QG 1 60 ALA MB 5.340 . 5.340 2.457 2.053 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 7 GLN QG 1 60 ALA H 4.500 . 4.500 2.806 2.513 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 7 GLN QG 1 61 ILE H 5.360 . 5.360 4.381 3.898 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 7 GLN HG3 1 8 ARG H 5.120 . 5.120 4.927 4.286 5.135 0.015 20 0 "[ . 1 . 2 . 3]" 1
37 1 7 GLN HG3 1 60 ALA H 4.460 . 4.460 4.301 2.945 4.515 0.055 28 0 "[ . 1 . 2 . 3]" 1
38 1 7 GLN HG2 1 8 ARG H 5.120 . 5.120 4.442 4.170 5.129 0.009 22 0 "[ . 1 . 2 . 3]" 1
39 1 7 GLN HG2 1 60 ALA H 4.460 . 4.460 2.945 2.531 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 7 GLN H 1 7 GLN QB 3.160 . 3.160 2.581 2.373 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 7 GLN H 1 7 GLN QE 5.780 . 5.780 4.496 3.114 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 7 GLN H 1 7 GLN QG 4.480 . 4.480 2.662 2.238 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 7 GLN H 1 8 ARG H 4.670 . 4.670 4.421 4.306 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 7 GLN H 1 58 THR MG 6.240 . 6.240 5.186 4.845 5.643 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 7 GLN H 1 61 ILE MD 5.730 . 5.730 5.186 4.224 5.738 0.008 25 0 "[ . 1 . 2 . 3]" 1
46 1 8 ARG HA 1 8 ARG QD 4.560 . 4.560 2.235 1.894 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 8 ARG HA 1 8 ARG HD3 4.330 . 4.330 2.568 1.906 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 8 ARG HA 1 8 ARG HD2 4.330 . 4.330 3.255 1.962 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 8 ARG HA 1 9 GLU H 2.970 . 2.970 2.318 2.186 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 8 ARG HA 1 30 PHE QE 6.420 . 6.420 4.696 4.447 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 8 ARG HA 1 58 THR MG 4.650 . 4.650 2.849 2.451 3.220 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 8 ARG HA 1 61 ILE MD 5.500 . 5.500 4.524 4.004 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 8 ARG QB 1 9 GLU H 3.180 . 3.180 2.992 1.862 3.312 0.132 20 0 "[ . 1 . 2 . 3]" 1
54 1 8 ARG QB 1 30 PHE QE 5.520 . 5.520 2.147 1.894 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 8 ARG QB 1 61 ILE MD 4.040 . 4.040 2.370 1.881 3.057 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 8 ARG QD 1 61 ILE MD 6.360 . 6.360 4.041 2.131 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 8 ARG HD3 1 9 GLU H 4.660 . 4.660 3.312 2.185 4.924 0.264 6 0 "[ . 1 . 2 . 3]" 1
58 1 8 ARG HD3 1 61 ILE MD 6.220 . 6.220 4.503 2.151 5.527 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 8 ARG HD2 1 9 GLU H 4.660 . 4.660 3.698 2.198 4.721 0.061 19 0 "[ . 1 . 2 . 3]" 1
60 1 8 ARG HD2 1 61 ILE MD 6.220 . 6.220 4.684 3.462 5.491 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 8 ARG QG 1 9 GLU H 4.480 . 4.480 2.766 1.835 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 8 ARG QG 1 61 ILE MD 5.700 . 5.700 3.046 1.920 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 8 ARG H 1 8 ARG QB 3.450 . 3.450 2.532 2.422 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 8 ARG H 1 8 ARG QD 6.030 . 6.030 4.444 2.698 5.097 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 8 ARG H 1 9 GLU H 4.610 . 4.610 4.360 4.256 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 8 ARG H 1 30 PHE QE 6.390 . 6.390 3.747 3.533 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 8 ARG H 1 58 THR HB 4.670 . 4.670 3.271 2.929 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 8 ARG H 1 58 THR MG 5.140 . 5.140 4.128 3.815 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 8 ARG H 1 59 SER QB 5.410 . 5.410 4.075 3.917 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 8 ARG H 1 59 SER H 3.460 . 3.460 2.790 2.365 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 8 ARG H 1 61 ILE HA 5.290 . 5.290 4.997 4.537 5.304 0.014 6 0 "[ . 1 . 2 . 3]" 1
72 1 8 ARG H 1 61 ILE MD 4.860 . 4.860 3.484 2.704 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 9 GLU HA 1 10 ILE MD 5.120 . 5.120 2.879 2.594 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 9 GLU HA 1 10 ILE H 3.340 . 3.340 2.226 2.102 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 9 GLU HA 1 30 PHE QE 7.360 . 7.360 4.821 4.378 5.509 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 9 GLU HA 1 55 ALA HA 5.300 . 5.300 4.482 3.691 5.098 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 9 GLU HA 1 59 SER H 3.780 . 3.780 3.449 3.102 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 9 GLU QB 1 10 ILE H 4.740 . 4.740 2.919 2.709 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 9 GLU QB 1 58 THR HA 4.670 . 4.670 3.481 2.838 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 9 GLU QB 1 58 THR MG 5.790 . 5.790 2.422 2.093 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 9 GLU QG 1 10 ILE H 4.990 . 4.990 3.943 2.557 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 9 GLU H 1 9 GLU QB 3.840 . 3.840 2.698 2.214 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 9 GLU H 1 9 GLU QG 4.610 . 4.610 2.401 1.784 3.950 0.016 5 0 "[ . 1 . 2 . 3]" 1
84 1 9 GLU H 1 10 ILE H 4.740 . 4.740 4.561 4.482 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 9 GLU H 1 30 PHE QE 6.780 . 6.780 4.352 3.683 4.816 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 9 GLU H 1 58 THR MG 4.980 . 4.980 2.843 2.437 3.212 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 10 ILE HB 1 55 ALA H 4.390 . 4.390 4.057 3.782 4.425 0.035 14 0 "[ . 1 . 2 . 3]" 1
88 1 10 ILE MD 1 55 ALA HA 4.720 . 4.720 2.942 2.129 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 10 ILE MD 1 55 ALA H 5.880 . 5.880 4.610 3.881 5.202 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 10 ILE MD 1 56 ASN H 5.960 . 5.960 4.812 4.339 5.381 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 10 ILE MD 1 57 GLN H 5.840 . 5.840 4.342 3.801 5.147 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 10 ILE MG 1 51 THR H 5.330 . 5.330 5.062 4.296 5.380 0.050 11 0 "[ . 1 . 2 . 3]" 1
93 1 10 ILE MG 1 55 ALA H 5.850 . 5.850 4.518 3.904 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 10 ILE H 1 10 ILE HB 3.340 . 3.340 2.472 2.351 2.607 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 10 ILE H 1 10 ILE MD 5.050 . 5.050 2.133 1.956 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 10 ILE H 1 10 ILE QG 4.610 . 4.610 3.453 3.339 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 10 ILE H 1 55 ALA HA 4.350 . 4.350 2.587 1.994 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 10 ILE H 1 56 ASN H 4.950 . 4.950 5.015 4.856 5.074 0.124 27 0 "[ . 1 . 2 . 3]" 1
99 1 10 ILE H 1 57 GLN H 4.960 . 4.960 4.678 3.955 5.003 0.043 9 0 "[ . 1 . 2 . 3]" 1
100 1 10 ILE H 1 58 THR HA 4.310 . 4.310 4.101 3.647 4.357 0.047 24 0 "[ . 1 . 2 . 3]" 1
101 1 10 ILE H 1 58 THR MG 5.760 . 5.760 4.787 4.169 5.095 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 10 ILE H 1 59 SER H 5.060 . 5.060 4.610 4.309 4.892 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 11 PRO HA 1 12 ASP QB 5.430 . 5.430 4.206 3.930 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 11 PRO HA 1 12 ASP H 2.730 . 2.730 2.194 2.089 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 11 PRO HB3 1 12 ASP H 3.950 . 3.950 3.499 3.070 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 11 PRO HB2 1 12 ASP H 3.950 . 3.950 3.368 2.736 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 11 PRO QD 1 28 ALA MB 6.110 . 6.110 3.111 2.365 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 11 PRO QG 1 12 ASP H 5.490 . 5.490 4.550 4.227 4.778 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 11 PRO QG 1 25 LEU H 5.260 . 5.260 3.310 2.492 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 11 PRO HG3 1 12 ASP H 5.450 . 5.450 5.200 4.750 5.481 0.031 24 0 "[ . 1 . 2 . 3]" 1
111 1 11 PRO HG2 1 12 ASP H 5.450 . 5.450 5.120 4.487 5.502 0.052 17 0 "[ . 1 . 2 . 3]" 1
112 1 12 ASP HA 1 13 VAL H 3.630 . 3.630 2.836 2.141 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 12 ASP HA 1 14 SER H 3.240 . 3.240 2.923 2.301 3.286 0.046 30 0 "[ . 1 . 2 . 3]" 1
114 1 12 ASP QB 1 14 SER H 5.570 . 5.570 4.379 3.928 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 12 ASP HB3 1 14 SER H 5.420 . 5.420 4.919 4.097 5.431 0.011 1 0 "[ . 1 . 2 . 3]" 1
116 1 12 ASP HB2 1 14 SER H 5.420 . 5.420 4.980 4.482 5.375 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 12 ASP H 1 12 ASP HB3 3.860 . 3.860 2.994 2.405 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 12 ASP H 1 12 ASP HB2 3.860 . 3.860 2.989 2.360 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 12 ASP H 1 13 VAL H 4.570 . 4.570 2.775 2.022 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 12 ASP H 1 14 SER H 4.720 . 4.720 4.483 3.893 4.853 0.133 17 0 "[ . 1 . 2 . 3]" 1
121 1 13 VAL HA 1 14 SER HA 5.300 . 5.300 4.877 4.802 5.013 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 13 VAL HA 1 15 THR H 4.550 . 4.550 3.608 3.342 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 13 VAL HA 1 16 LEU HG 4.020 . 4.020 2.782 2.280 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 13 VAL HA 1 16 LEU H 4.070 . 4.070 3.469 3.238 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 13 VAL HB 1 14 SER H 5.370 . 5.370 4.138 3.221 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 13 VAL HB 1 16 LEU H 5.500 . 5.500 4.772 4.049 5.588 0.088 30 0 "[ . 1 . 2 . 3]" 1
127 1 13 VAL QG 1 14 SER H 5.510 . 5.510 2.981 2.617 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 13 VAL QG 1 15 THR H 7.530 . 7.530 4.375 4.126 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 13 VAL QG 1 20 GLU HA 6.370 . 6.370 3.760 3.439 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 13 VAL QG 1 20 GLU H 7.430 . 7.430 4.670 4.251 5.351 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 13 VAL QG 1 21 ALA HA 5.560 . 5.560 2.501 1.822 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 13 VAL QG 1 21 ALA H 5.770 . 5.770 3.486 3.047 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 13 VAL QG 1 22 VAL H 7.110 . 7.110 4.940 4.480 5.980 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 13 VAL QG 1 23 LYS H 7.080 . 7.080 5.155 4.646 5.897 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 13 VAL H 1 14 SER HA 4.820 . 4.820 4.599 4.027 4.870 0.050 30 0 "[ . 1 . 2 . 3]" 1
136 1 13 VAL H 1 14 SER H 3.240 . 3.240 2.215 1.776 2.600 0.024 6 0 "[ . 1 . 2 . 3]" 1
137 1 13 VAL H 1 21 ALA MB 5.310 . 5.310 4.773 3.555 5.371 0.061 1 0 "[ . 1 . 2 . 3]" 1
138 1 14 SER HA 1 15 THR H 3.640 . 3.640 3.479 3.430 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 14 SER HA 1 16 LEU H 3.840 . 3.840 3.771 3.648 3.892 0.052 22 0 "[ . 1 . 2 . 3]" 1
140 1 14 SER HA 1 18 TYR H 5.500 . 5.500 5.547 5.411 5.612 0.112 14 0 "[ . 1 . 2 . 3]" 1
141 1 14 SER HA 1 21 ALA H 4.620 . 4.620 3.274 2.827 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 14 SER HA 1 48 VAL HB 4.490 . 4.490 3.104 2.168 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 14 SER HA 1 48 VAL QG 5.450 . 5.450 2.709 2.244 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 14 SER HA 1 48 VAL H 4.790 . 4.790 4.089 3.287 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 14 SER QB 1 21 ALA MB 5.180 . 5.180 2.479 1.950 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 14 SER QB 1 48 VAL QG 6.000 . 6.000 2.040 1.872 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 14 SER HB3 1 48 VAL MG1 6.460 . 6.460 2.447 2.010 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 14 SER HB3 1 48 VAL MG2 6.460 . 6.460 2.663 2.021 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 14 SER HB2 1 48 VAL MG1 6.460 . 6.460 2.954 2.124 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 14 SER HB2 1 48 VAL MG2 6.460 . 6.460 3.587 2.329 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 14 SER H 1 15 THR MG 5.730 . 5.730 4.450 3.587 5.755 0.025 27 0 "[ . 1 . 2 . 3]" 1
152 1 14 SER H 1 15 THR H 4.150 . 4.150 2.593 2.450 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 14 SER H 1 21 ALA MB 5.110 . 5.110 3.653 2.819 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 15 THR HA 1 48 VAL H 4.510 . 4.510 3.560 3.048 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 15 THR MG 1 16 LEU H 5.420 . 5.420 3.450 2.508 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 15 THR H 1 16 LEU QD 7.570 . 7.570 4.537 4.288 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 15 THR H 1 16 LEU H 3.800 . 3.800 2.729 2.576 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 15 THR H 1 48 VAL QG 7.560 . 7.560 4.374 4.075 4.738 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 15 THR H 1 48 VAL H 5.080 . 5.080 4.902 4.705 5.146 0.066 30 0 "[ . 1 . 2 . 3]" 1
160 1 16 LEU HA 1 16 LEU HG 4.220 . 4.220 3.204 3.121 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 16 LEU QB 1 17 THR HB 4.820 . 4.820 3.942 3.723 4.829 0.009 17 0 "[ . 1 . 2 . 3]" 1
162 1 16 LEU QB 1 17 THR H 4.800 . 4.800 2.451 2.264 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 16 LEU H 1 16 LEU HG 3.070 . 3.070 2.466 2.255 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 16 LEU H 1 17 THR H 4.240 . 4.240 2.472 2.407 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 16 LEU H 1 20 GLU QB 4.970 . 4.970 4.032 3.887 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 16 LEU H 1 21 ALA H 5.500 . 5.500 5.544 5.386 5.597 0.097 12 0 "[ . 1 . 2 . 3]" 1
167 1 16 LEU H 1 48 VAL H 4.720 . 4.720 4.728 4.544 4.810 0.090 11 0 "[ . 1 . 2 . 3]" 1
168 1 17 THR HA 1 18 TYR QB 4.440 . 4.440 4.175 4.086 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 17 THR HA 1 18 TYR H 3.320 . 3.320 2.268 2.212 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 17 THR HA 1 20 GLU QB 4.550 . 4.550 4.523 4.379 4.621 0.071 21 0 "[ . 1 . 2 . 3]" 1
171 1 17 THR HA 1 47 LYS HA 4.510 . 4.510 2.429 2.056 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 17 THR HA 1 48 VAL H 4.030 . 4.030 3.885 3.531 4.068 0.038 6 0 "[ . 1 . 2 . 3]" 1
173 1 17 THR MG 1 18 TYR QB 4.160 . 4.160 3.077 2.742 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 17 THR MG 1 18 TYR H 4.710 . 4.710 2.327 2.159 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 17 THR H 1 20 GLU HA 5.500 . 5.500 5.566 5.511 5.632 0.132 27 0 "[ . 1 . 2 . 3]" 1
176 1 17 THR H 1 20 GLU QB 4.170 . 4.170 2.588 2.518 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 17 THR H 1 20 GLU QG 3.840 . 3.840 3.397 3.052 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 17 THR H 1 20 GLU HG3 4.420 . 4.420 3.717 3.301 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 17 THR H 1 20 GLU HG2 4.420 . 4.420 3.958 3.288 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 17 THR H 1 20 GLU H 4.670 . 4.670 3.980 3.848 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 17 THR H 1 48 VAL QG 6.280 . 6.280 4.068 3.755 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 18 TYR HA 1 21 ALA H 4.080 . 4.080 3.516 3.244 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 18 TYR HA 1 22 VAL H 4.650 . 4.650 4.129 3.916 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 18 TYR HA 1 48 VAL QG 5.790 . 5.790 1.974 1.788 2.103 0.012 14 0 "[ . 1 . 2 . 3]" 1
185 1 18 TYR HA 1 69 VAL QG 5.730 . 5.730 3.727 3.451 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 18 TYR HA 1 69 VAL MG1 5.460 . 5.460 4.278 3.926 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 18 TYR HA 1 69 VAL MG2 5.460 . 5.460 4.117 3.743 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 18 TYR QB 1 19 ALA MB 4.980 . 4.980 3.950 3.798 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 18 TYR QB 1 69 VAL QG 5.820 . 5.820 2.352 2.091 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 18 TYR HB3 1 19 ALA H 3.990 . 3.990 2.542 2.328 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 18 TYR HB2 1 19 ALA H 3.990 . 3.990 3.904 3.777 3.997 0.007 3 0 "[ . 1 . 2 . 3]" 1
192 1 18 TYR QD 1 19 ALA HA 6.310 . 6.310 3.522 2.949 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 18 TYR QD 1 19 ALA MB 7.350 . 7.350 3.537 2.948 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 18 TYR QD 1 19 ALA H 6.170 . 6.170 3.119 2.622 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 18 TYR QD 1 21 ALA H 7.530 . 7.530 5.404 4.804 5.675 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 18 TYR QD 1 22 VAL QG 8.030 . 8.030 3.186 2.950 3.312 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 18 TYR QD 1 22 VAL MG1 7.890 . 7.890 5.141 4.530 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 18 TYR QD 1 22 VAL MG2 7.890 . 7.890 3.218 2.972 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 18 TYR QD 1 35 GLN HA 6.710 . 6.710 5.819 5.159 6.389 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 18 TYR QD 1 36 ALA H 7.210 . 7.210 6.280 5.718 6.602 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 18 TYR QD 1 67 ILE MD 6.840 . 6.840 2.033 1.863 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 18 TYR QD 1 67 ILE MG 7.120 . 7.120 3.769 3.297 4.780 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 18 TYR QD 1 69 VAL HB 6.860 . 6.860 5.007 4.653 5.421 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 18 TYR QD 1 69 VAL QG 7.780 . 7.780 2.190 1.947 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 18 TYR QE 1 22 VAL QG 7.620 . 7.620 2.739 2.471 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 18 TYR QE 1 22 VAL MG1 7.190 . 7.190 4.220 3.486 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 18 TYR QE 1 22 VAL MG2 7.190 . 7.190 2.777 2.495 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 18 TYR QE 1 35 GLN HA 6.030 . 6.030 4.271 3.369 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 18 TYR QE 1 35 GLN QB 5.990 . 5.990 3.412 2.500 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 18 TYR QE 1 35 GLN QG 7.210 . 7.210 2.963 2.262 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 18 TYR QE 1 35 GLN H 6.710 . 6.710 6.006 5.199 6.700 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 18 TYR QE 1 36 ALA H 6.480 . 6.480 5.404 4.603 5.738 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 18 TYR QE 1 67 ILE MD 6.900 . 6.900 2.310 2.040 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 18 TYR QE 1 67 ILE MG 6.670 . 6.670 2.646 2.025 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 18 TYR QE 1 67 ILE H 6.990 . 6.990 5.772 5.153 6.653 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 18 TYR QE 1 69 VAL QG 8.230 . 8.230 3.043 2.667 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 18 TYR H 1 18 TYR HB3 3.490 . 3.490 2.380 2.301 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 18 TYR H 1 18 TYR HB2 3.490 . 3.490 2.648 2.477 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 18 TYR H 1 19 ALA HA 5.500 . 5.500 5.442 5.335 5.503 0.003 22 0 "[ . 1 . 2 . 3]" 1
220 1 18 TYR H 1 19 ALA H 3.750 . 3.750 2.879 2.758 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 18 TYR H 1 48 VAL QG 6.150 . 6.150 3.336 3.055 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 18 TYR H 1 69 VAL QG 6.230 . 6.230 3.976 3.694 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 18 TYR H 1 69 VAL MG1 5.710 . 5.710 4.139 3.836 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 18 TYR H 1 69 VAL MG2 5.710 . 5.710 5.163 4.785 5.570 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 19 ALA HA 1 22 VAL HB 3.870 . 3.870 2.952 2.440 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 19 ALA HA 1 22 VAL QG 6.000 . 6.000 3.230 2.701 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 19 ALA HA 1 22 VAL H 3.680 . 3.680 3.607 3.404 3.709 0.029 20 0 "[ . 1 . 2 . 3]" 1
228 1 19 ALA MB 1 20 GLU QG 5.170 . 5.170 3.255 2.970 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 19 ALA MB 1 20 GLU H 4.740 . 4.740 2.540 2.384 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 19 ALA MB 1 22 VAL H 5.620 . 5.620 4.727 4.564 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 19 ALA H 1 20 GLU H 4.190 . 4.190 2.793 2.669 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 20 GLU HA 1 20 GLU QG 3.510 . 3.510 2.887 2.731 3.106 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 20 GLU HA 1 23 LYS H 4.250 . 4.250 3.749 3.509 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 20 GLU HA 1 24 LYS H 5.020 . 5.020 4.056 3.719 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 20 GLU QB 1 21 ALA HA 4.330 . 4.330 3.900 3.800 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 20 GLU QG 1 21 ALA H 4.180 . 4.180 4.040 3.867 4.203 0.023 8 0 "[ . 1 . 2 . 3]" 1
237 1 20 GLU H 1 20 GLU QG 3.490 . 3.490 2.300 2.080 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 20 GLU H 1 20 GLU HG3 4.220 . 4.220 3.710 3.551 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 20 GLU H 1 20 GLU HG2 4.220 . 4.220 2.323 2.094 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 20 GLU H 1 21 ALA MB 5.310 . 5.310 4.251 4.036 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 20 GLU H 1 21 ALA H 3.420 . 3.420 2.603 2.469 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 20 GLU H 1 48 VAL QG 7.560 . 7.560 4.970 4.728 5.155 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 21 ALA HA 1 24 LYS H 4.750 . 4.750 3.933 3.618 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 21 ALA HA 1 25 LEU H 4.780 . 4.780 3.953 3.774 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 21 ALA MB 1 22 VAL HA 5.390 . 5.390 3.622 3.471 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 21 ALA MB 1 22 VAL H 4.630 . 4.630 2.292 2.151 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 21 ALA H 1 22 VAL QG 6.520 . 6.520 4.091 3.927 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 21 ALA H 1 22 VAL H 3.400 . 3.400 2.694 2.533 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 21 ALA H 1 23 LYS H 4.260 . 4.260 4.306 4.263 4.350 0.090 12 0 "[ . 1 . 2 . 3]" 1
250 1 21 ALA H 1 48 VAL QG 6.840 . 6.840 3.727 3.485 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 22 VAL HA 1 24 LYS H 4.570 . 4.570 4.575 4.263 4.629 0.059 1 0 "[ . 1 . 2 . 3]" 1
252 1 22 VAL HA 1 25 LEU QB 5.710 . 5.710 2.725 2.458 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 22 VAL HA 1 25 LEU QD 4.600 . 4.600 3.500 3.182 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 22 VAL HA 1 25 LEU MD1 5.300 . 5.300 5.218 4.882 5.368 0.068 20 0 "[ . 1 . 2 . 3]" 1
255 1 22 VAL HA 1 25 LEU MD2 5.300 . 5.300 3.558 3.225 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 22 VAL HA 1 25 LEU H 4.060 . 4.060 3.594 3.428 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 22 VAL HB 1 23 LYS H 3.290 . 3.290 2.648 2.535 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 22 VAL QG 1 23 LYS HA 6.720 . 6.720 3.286 3.123 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 22 VAL QG 1 23 LYS H 5.640 . 5.640 3.176 3.102 3.315 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 22 VAL QG 1 26 THR H 6.550 . 6.550 3.837 3.736 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 22 VAL QG 1 33 PHE QD 8.190 . 8.190 3.574 2.742 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 22 VAL QG 1 33 PHE QE 7.940 . 7.940 2.940 2.210 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 22 VAL QG 1 33 PHE HZ 6.710 . 6.710 3.345 2.527 5.142 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 22 VAL QG 1 67 ILE MG 6.790 . 6.790 3.292 2.387 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 22 VAL MG1 1 23 LYS H 5.340 . 5.340 3.370 3.245 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 22 VAL MG1 1 33 PHE QD 7.790 . 7.790 4.047 3.223 5.324 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 22 VAL MG1 1 33 PHE QE 8.210 . 8.210 3.119 2.282 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 22 VAL MG2 1 23 LYS H 5.340 . 5.340 3.888 3.808 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 22 VAL MG2 1 33 PHE QD 7.790 . 7.790 4.034 2.919 5.529 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 22 VAL MG2 1 33 PHE QE 8.210 . 8.210 3.764 2.727 5.718 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 22 VAL H 1 22 VAL HB 3.250 . 3.250 2.553 2.480 2.607 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 22 VAL H 1 23 LYS QB 5.470 . 5.470 4.839 4.653 5.208 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 22 VAL H 1 23 LYS H 3.480 . 3.480 2.772 2.694 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 22 VAL H 1 24 LYS H 4.730 . 4.730 4.306 3.991 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 22 VAL H 1 25 LEU QD 6.280 . 6.280 5.230 5.014 5.637 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 22 VAL H 1 67 ILE MG 6.410 . 6.410 5.764 5.276 6.130 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 23 LYS HA 1 23 LYS QD 4.470 . 4.470 2.916 1.936 4.516 0.046 2 0 "[ . 1 . 2 . 3]" 1
278 1 23 LYS HA 1 23 LYS HG3 3.970 . 3.970 3.546 2.953 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 23 LYS HA 1 23 LYS HG2 3.970 . 3.970 2.942 2.432 4.123 0.153 12 0 "[ . 1 . 2 . 3]" 1
280 1 23 LYS HA 1 24 LYS H 3.630 . 3.630 3.530 3.500 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 23 LYS HA 1 26 THR HB 3.660 . 3.660 2.497 2.268 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 23 LYS HA 1 26 THR MG 5.240 . 5.240 3.737 3.534 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 23 LYS HA 1 26 THR H 4.160 . 4.160 3.570 3.294 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 23 LYS HA 1 27 ALA H 4.550 . 4.550 4.055 3.859 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 23 LYS H 1 23 LYS QB 3.820 . 3.820 2.476 2.340 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 23 LYS H 1 23 LYS QG 4.160 . 4.160 2.297 2.027 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 23 LYS H 1 23 LYS HG3 3.920 . 3.920 3.196 2.116 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 23 LYS H 1 23 LYS HG2 3.920 . 3.920 2.742 2.044 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 23 LYS H 1 24 LYS HA 5.340 . 5.340 5.278 5.172 5.343 0.003 6 0 "[ . 1 . 2 . 3]" 1
290 1 23 LYS H 1 24 LYS H 3.530 . 3.530 2.705 2.607 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 23 LYS H 1 25 LEU QD 6.270 . 6.270 5.931 5.760 6.151 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 23 LYS H 1 25 LEU H 4.570 . 4.570 4.123 4.045 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 23 LYS H 1 26 THR HB 4.720 . 4.720 4.829 4.790 4.866 0.146 13 0 "[ . 1 . 2 . 3]" 1
294 1 24 LYS HA 1 24 LYS QD 4.370 . 4.370 2.640 1.941 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 24 LYS HA 1 24 LYS QG 3.930 . 3.930 2.653 2.272 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 24 LYS H 1 24 LYS QB 3.880 . 3.880 2.301 2.013 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 24 LYS H 1 24 LYS HB3 3.580 . 3.580 3.226 2.487 3.619 0.039 10 0 "[ . 1 . 2 . 3]" 1
298 1 24 LYS H 1 24 LYS HB2 3.580 . 3.580 2.401 2.038 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 24 LYS H 1 25 LEU H 3.510 . 3.510 2.628 2.563 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 24 LYS H 1 26 THR H 4.540 . 4.540 4.028 3.841 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 25 LEU HA 1 27 ALA MB 6.200 . 6.200 4.870 4.674 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 25 LEU HA 1 28 ALA MB 4.640 . 4.640 2.333 2.195 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 25 LEU HA 1 28 ALA H 3.800 . 3.800 3.156 3.045 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 25 LEU HA 1 29 GLY H 5.050 . 5.050 4.769 4.551 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 25 LEU QB 1 30 PHE QD 7.550 . 7.550 4.454 4.126 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 25 LEU QD 1 26 THR H 4.720 . 4.720 3.956 3.801 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 25 LEU QD 1 27 ALA H 5.740 . 5.740 5.318 5.219 5.388 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 25 LEU QD 1 28 ALA H 5.960 . 5.960 4.293 4.127 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 25 LEU QD 1 29 GLY H 6.430 . 6.430 4.928 4.739 5.082 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 25 LEU MD1 1 26 THR H 5.810 . 5.810 4.632 4.575 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 25 LEU MD2 1 26 THR H 5.810 . 5.810 4.298 4.058 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 25 LEU HG 1 26 THR H 4.440 . 4.440 4.007 3.786 4.448 0.008 9 0 "[ . 1 . 2 . 3]" 1
313 1 25 LEU HG 1 28 ALA H 4.680 . 4.680 4.738 4.704 4.771 0.091 11 0 "[ . 1 . 2 . 3]" 1
314 1 25 LEU HG 1 29 GLY H 5.080 . 5.080 5.094 4.925 5.129 0.049 6 0 "[ . 1 . 2 . 3]" 1
315 1 25 LEU HG 1 30 PHE QD 6.240 . 6.240 2.923 2.253 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 25 LEU HG 1 30 PHE H 4.360 . 4.360 3.773 3.528 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 25 LEU H 1 25 LEU HB3 3.580 . 3.580 2.580 2.463 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 25 LEU H 1 25 LEU HB2 3.580 . 3.580 2.424 2.283 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 25 LEU H 1 25 LEU QD 4.370 . 4.370 3.659 3.538 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 25 LEU H 1 25 LEU MD1 5.410 . 5.410 3.996 3.763 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 25 LEU H 1 25 LEU MD2 5.410 . 5.410 4.248 4.184 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 25 LEU H 1 26 THR H 3.730 . 3.730 2.558 2.521 2.597 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 25 LEU H 1 27 ALA H 4.420 . 4.420 4.035 3.922 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 26 THR HA 1 28 ALA H 4.480 . 4.480 3.903 3.795 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 26 THR HA 1 29 GLY H 3.820 . 3.820 3.593 3.308 3.832 0.012 10 0 "[ . 1 . 2 . 3]" 1
326 1 26 THR HA 1 30 PHE H 4.840 . 4.840 3.795 3.212 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 26 THR HA 1 33 PHE HZ 4.200 . 4.200 3.420 2.202 4.267 0.067 16 0 "[ . 1 . 2 . 3]" 1
328 1 26 THR HB 1 27 ALA H 3.530 . 3.530 2.603 2.493 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 26 THR HB 1 28 ALA H 4.730 . 4.730 4.752 4.724 4.778 0.048 19 0 "[ . 1 . 2 . 3]" 1
330 1 26 THR MG 1 27 ALA H 4.650 . 4.650 3.304 3.193 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 26 THR MG 1 28 ALA H 5.860 . 5.860 4.707 4.650 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 26 THR MG 1 33 PHE HZ 5.620 . 5.620 4.042 3.248 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 26 THR H 1 26 THR HB 3.960 . 3.960 2.379 2.320 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 26 THR H 1 26 THR MG 4.770 . 4.770 3.729 3.699 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 26 THR H 1 27 ALA MB 5.580 . 5.580 4.347 4.286 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 26 THR H 1 27 ALA H 3.470 . 3.470 2.677 2.613 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 26 THR H 1 28 ALA H 4.460 . 4.460 3.774 3.681 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 26 THR H 1 33 PHE QE 7.510 . 7.510 4.477 3.738 5.303 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 27 ALA HA 1 28 ALA H 3.550 . 3.550 3.428 3.404 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 27 ALA MB 1 28 ALA H 4.220 . 4.220 3.014 2.940 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 27 ALA MB 1 29 GLY H 5.420 . 5.420 4.404 4.329 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 27 ALA H 1 28 ALA MB 5.110 . 5.110 4.255 4.163 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 27 ALA H 1 28 ALA H 3.250 . 3.250 2.574 2.509 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 27 ALA H 1 29 GLY H 4.340 . 4.340 4.078 3.931 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 28 ALA HA 1 29 GLY H 3.610 . 3.610 3.381 3.353 3.414 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 28 ALA MB 1 29 GLY H 4.540 . 4.540 3.050 2.989 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 28 ALA MB 1 61 ILE MD 6.220 . 6.220 3.961 3.511 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 28 ALA H 1 29 GLY QA 5.730 . 5.730 4.351 4.239 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 28 ALA H 1 29 GLY H 3.130 . 3.130 2.375 2.285 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 29 GLY QA 1 61 ILE MD 6.670 . 6.670 2.694 2.063 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 29 GLY QA 1 61 ILE MG 5.930 . 5.930 3.300 2.652 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 29 GLY H 1 30 PHE HA 5.260 . 5.260 4.902 4.768 5.081 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 29 GLY H 1 30 PHE QB 4.230 . 4.230 4.243 4.182 4.280 0.050 12 0 "[ . 1 . 2 . 3]" 1
354 1 29 GLY H 1 30 PHE H 3.110 . 3.110 2.307 2.155 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 29 GLY H 1 61 ILE MD 6.420 . 6.420 4.632 4.168 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 29 GLY H 1 61 ILE MG 6.530 . 6.530 5.320 4.678 5.823 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 30 PHE HA 1 31 GLY QA 5.650 . 5.650 3.850 3.757 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 30 PHE HA 1 31 GLY H 3.290 . 3.290 2.133 2.068 2.256 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 30 PHE HA 1 61 ILE MD 5.110 . 5.110 3.417 2.361 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 30 PHE QB 1 31 GLY H 4.160 . 4.160 3.088 2.823 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 30 PHE QB 1 32 ARG H 4.550 . 4.550 3.090 2.526 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 30 PHE QD 1 61 ILE MD 6.960 . 6.960 3.532 3.034 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 30 PHE QE 1 59 SER QB 6.700 . 6.700 2.610 1.998 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 30 PHE QE 1 59 SER H 6.370 . 6.370 4.043 3.677 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 30 PHE QE 1 61 ILE HA 6.090 . 6.090 3.248 2.231 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 30 PHE QE 1 61 ILE MD 6.630 . 6.630 3.325 2.881 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 30 PHE QE 1 63 ASN H 6.470 . 6.470 3.872 3.219 4.738 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 30 PHE H 1 30 PHE QB 3.510 . 3.510 2.359 2.221 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 30 PHE H 1 30 PHE QD 5.500 . 5.500 2.309 1.956 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 30 PHE H 1 30 PHE QE 6.620 . 6.620 4.372 4.114 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 30 PHE H 1 61 ILE MD 5.760 . 5.760 3.691 2.933 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 30 PHE H 1 61 ILE MG 5.220 . 5.220 4.156 3.476 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 30 PHE HZ 1 58 THR HB 5.500 . 5.500 5.339 4.859 5.528 0.028 1 0 "[ . 1 . 2 . 3]" 1
374 1 30 PHE HZ 1 59 SER H 4.110 . 4.110 2.950 2.423 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 31 GLY QA 1 33 PHE QE 7.430 . 7.430 2.806 2.086 4.866 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 31 GLY H 1 32 ARG H 3.150 . 3.150 2.138 1.793 2.866 0.007 24 0 "[ . 1 . 2 . 3]" 1
377 1 31 GLY H 1 61 ILE MD 6.330 . 6.330 4.986 3.715 6.057 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 31 GLY H 1 61 ILE MG 5.590 . 5.590 3.314 2.288 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 32 ARG HA 1 32 ARG HD3 4.470 . 4.470 3.577 2.044 4.565 0.095 15 0 "[ . 1 . 2 . 3]" 1
380 1 32 ARG HA 1 32 ARG HD2 4.470 . 4.470 3.355 2.025 4.582 0.112 2 0 "[ . 1 . 2 . 3]" 1
381 1 32 ARG HA 1 32 ARG QG 4.000 . 4.000 2.654 2.220 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 32 ARG HA 1 33 PHE H 2.770 . 2.770 2.135 2.027 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 32 ARG HA 1 64 VAL HA 4.610 . 4.610 4.498 4.106 4.680 0.070 14 0 "[ . 1 . 2 . 3]" 1
384 1 32 ARG QB 1 64 VAL HA 4.730 . 4.730 2.330 1.849 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 32 ARG QB 1 64 VAL QG 7.730 . 7.730 3.042 1.896 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 32 ARG QB 1 65 VAL H 5.930 . 5.930 3.437 2.777 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 32 ARG QG 1 33 PHE H 4.310 . 4.310 3.422 2.736 4.453 0.143 3 0 "[ . 1 . 2 . 3]" 1
388 1 32 ARG QG 1 64 VAL HA 4.870 . 4.870 2.798 1.948 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 32 ARG QG 1 65 VAL H 5.500 . 5.500 4.096 3.209 5.565 0.065 15 0 "[ . 1 . 2 . 3]" 1
390 1 32 ARG H 1 33 PHE QD 6.770 . 6.770 3.923 3.222 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 32 ARG H 1 33 PHE QE 6.700 . 6.700 4.377 3.487 5.724 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 32 ARG H 1 33 PHE H 4.350 . 4.350 4.209 4.013 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 33 PHE HA 1 34 LYS HA 4.950 . 4.950 4.397 4.304 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 33 PHE HA 1 34 LYS H 3.040 . 3.040 2.196 2.095 2.328 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 33 PHE HA 1 65 VAL QG 6.350 . 6.350 3.657 3.461 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 33 PHE HA 1 65 VAL H 3.780 . 3.780 2.699 2.266 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 33 PHE HA 1 66 ILE HA 5.270 . 5.270 4.301 4.087 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 33 PHE HA 1 67 ILE H 5.010 . 5.010 5.003 4.708 5.078 0.068 15 0 "[ . 1 . 2 . 3]" 1
399 1 33 PHE QB 1 34 LYS H 4.210 . 4.210 2.651 2.293 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 33 PHE QB 1 65 VAL HB 5.390 . 5.390 3.522 1.950 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 33 PHE HB3 1 34 LYS H 3.830 . 3.830 3.029 2.395 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 33 PHE HB3 1 67 ILE MG 5.590 . 5.590 3.463 2.736 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 33 PHE HB2 1 34 LYS H 3.830 . 3.830 3.404 2.335 3.896 0.066 4 0 "[ . 1 . 2 . 3]" 1
404 1 33 PHE HB2 1 67 ILE MG 5.590 . 5.590 3.981 2.535 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 33 PHE QD 1 34 LYS H 6.880 . 6.880 4.034 3.525 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 33 PHE QD 1 65 VAL HB 6.390 . 6.390 3.469 2.109 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 33 PHE QD 1 65 VAL H 6.370 . 6.370 4.616 3.848 5.389 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 33 PHE QE 1 65 VAL HB 7.620 . 7.620 4.865 3.274 6.333 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 33 PHE H 1 33 PHE HB3 3.940 . 3.940 3.734 3.470 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 33 PHE H 1 33 PHE HB2 3.940 . 3.940 3.093 2.548 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 33 PHE H 1 33 PHE QE 6.580 . 6.580 4.841 4.424 5.270 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 33 PHE H 1 65 VAL H 4.780 . 4.780 4.532 4.354 4.797 0.017 8 0 "[ . 1 . 2 . 3]" 1
413 1 34 LYS HA 1 35 GLN H 2.670 . 2.670 2.174 2.109 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 34 LYS QB 1 64 VAL QG 5.270 . 5.270 2.531 1.988 3.264 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 34 LYS QB 1 66 ILE MG 4.670 . 4.670 2.752 2.261 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 34 LYS QB 1 67 ILE H 3.810 . 3.810 3.731 3.450 3.888 0.078 12 0 "[ . 1 . 2 . 3]" 1
417 1 34 LYS HB3 1 66 ILE MG 5.400 . 5.400 2.871 2.329 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 34 LYS HB2 1 66 ILE MG 5.400 . 5.400 4.045 2.397 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 34 LYS QG 1 67 ILE H 5.980 . 5.980 4.756 4.039 5.652 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 34 LYS H 1 35 GLN H 4.520 . 4.520 4.155 4.032 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 34 LYS H 1 64 VAL HA 5.500 . 5.500 5.401 5.105 5.562 0.062 4 0 "[ . 1 . 2 . 3]" 1
422 1 34 LYS H 1 64 VAL QG 6.150 . 6.150 3.350 3.019 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 34 LYS H 1 65 VAL HB 4.530 . 4.530 4.069 3.804 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 34 LYS H 1 65 VAL QG 6.210 . 6.210 4.099 3.948 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 34 LYS H 1 65 VAL H 4.520 . 4.520 4.151 3.952 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 34 LYS H 1 66 ILE HA 3.940 . 3.940 2.620 2.427 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 34 LYS H 1 66 ILE MD 6.030 . 6.030 4.792 4.213 5.584 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 34 LYS H 1 66 ILE QG 3.970 . 3.970 3.964 3.802 4.040 0.070 21 0 "[ . 1 . 2 . 3]" 1
429 1 34 LYS H 1 67 ILE MG 5.310 . 5.310 3.152 2.916 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 34 LYS H 1 67 ILE H 4.030 . 4.030 3.258 3.089 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 35 GLN HA 1 35 GLN HG3 4.200 . 4.200 2.625 2.516 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 35 GLN HA 1 35 GLN HG2 4.200 . 4.200 3.136 2.934 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 35 GLN HA 1 36 ALA MB 5.320 . 5.320 3.949 3.860 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 35 GLN HA 1 36 ALA H 3.070 . 3.070 2.116 2.039 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 35 GLN HA 1 67 ILE H 4.020 . 4.020 3.059 2.847 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 35 GLN QB 1 36 ALA HA 5.020 . 5.020 4.525 4.312 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 35 GLN HB3 1 36 ALA H 4.650 . 4.650 4.179 4.054 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 35 GLN HB2 1 36 ALA H 4.650 . 4.650 4.175 3.968 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 35 GLN QE 1 36 ALA H 5.440 . 5.440 4.862 4.507 5.290 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 35 GLN QE 1 69 VAL QG 6.790 . 6.790 2.146 1.780 2.949 0.020 19 0 "[ . 1 . 2 . 3]" 1
441 1 35 GLN HE21 1 69 VAL MG1 7.250 . 7.250 3.694 2.940 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 35 GLN HE21 1 69 VAL MG2 7.250 . 7.250 2.212 1.795 3.114 0.005 19 0 "[ . 1 . 2 . 3]" 1
443 1 35 GLN HE22 1 69 VAL MG1 7.250 . 7.250 4.410 3.640 5.122 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 35 GLN HE22 1 69 VAL MG2 7.250 . 7.250 3.371 3.050 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 35 GLN QG 1 36 ALA MB 6.920 . 6.920 4.233 4.062 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 35 GLN QG 1 37 ASN QD 5.950 . 5.950 4.168 3.637 5.473 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 35 GLN QG 1 37 ASN H 6.220 . 6.220 4.547 4.265 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 35 GLN HG3 1 36 ALA H 3.690 . 3.690 3.155 2.764 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 35 GLN HG2 1 36 ALA H 3.690 . 3.690 3.105 2.709 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 35 GLN H 1 35 GLN HB3 3.080 . 3.080 2.469 2.348 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 35 GLN H 1 35 GLN HB2 3.080 . 3.080 2.842 2.687 3.052 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 35 GLN H 1 36 ALA H 4.800 . 4.800 4.404 4.311 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 35 GLN H 1 67 ILE MG 5.610 . 5.610 4.116 3.753 5.639 0.029 8 0 "[ . 1 . 2 . 3]" 1
454 1 36 ALA HA 1 37 ASN H 2.860 . 2.860 2.313 2.208 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 36 ALA MB 1 37 ASN H 4.130 . 4.130 2.728 2.500 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 36 ALA MB 1 67 ILE H 6.060 . 6.060 4.316 3.935 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 36 ALA MB 1 69 VAL H 5.270 . 5.270 3.921 3.678 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 36 ALA H 1 37 ASN H 4.430 . 4.430 4.353 4.280 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 36 ALA H 1 67 ILE MD 4.850 . 4.850 3.847 2.676 4.901 0.051 20 0 "[ . 1 . 2 . 3]" 1
460 1 36 ALA H 1 67 ILE H 4.600 . 4.600 3.735 3.466 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 36 ALA H 1 68 ILE HA 3.900 . 3.900 2.922 2.687 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 36 ALA H 1 68 ILE MG 5.500 . 5.500 4.394 3.414 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 36 ALA H 1 69 VAL QG 6.290 . 6.290 3.427 3.157 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 36 ALA H 1 69 VAL H 4.080 . 4.080 3.635 3.494 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 37 ASN HA 1 38 SER QB 5.240 . 5.240 4.152 3.787 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 37 ASN HA 1 38 SER H 3.180 . 3.180 2.204 2.129 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 37 ASN HA 1 69 VAL HB 4.550 . 4.550 2.953 2.594 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 37 ASN HA 1 69 VAL H 3.490 . 3.490 2.447 2.163 2.742 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 37 ASN HA 1 71 SER H 4.920 . 4.920 4.773 4.390 4.946 0.026 14 0 "[ . 1 . 2 . 3]" 1
470 1 37 ASN QB 1 38 SER H 4.420 . 4.420 2.817 2.591 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 37 ASN QB 1 71 SER H 5.780 . 5.780 3.976 3.379 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 37 ASN HB3 1 69 VAL H 5.500 . 5.500 4.133 3.357 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 37 ASN HB2 1 69 VAL H 5.500 . 5.500 4.482 3.826 5.041 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 37 ASN H 1 37 ASN QD 5.120 . 5.120 2.785 2.523 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 37 ASN H 1 38 SER H 4.590 . 4.590 4.359 4.250 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 37 ASN H 1 69 VAL H 5.000 . 5.000 4.565 4.398 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 38 SER HA 1 39 PRO QG 5.300 . 5.300 3.838 3.741 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 38 SER QB 1 69 VAL H 6.170 . 6.170 5.100 4.442 5.595 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 38 SER H 1 39 PRO QD 5.890 . 5.890 4.266 4.149 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 38 SER H 1 68 ILE HA 5.220 . 5.220 5.052 4.746 5.254 0.034 11 0 "[ . 1 . 2 . 3]" 1
481 1 38 SER H 1 69 VAL QG 7.280 . 7.280 4.427 4.233 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 38 SER H 1 69 VAL H 4.190 . 4.190 3.917 3.586 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 38 SER H 1 70 GLY QA 4.040 . 4.040 3.306 2.965 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 38 SER H 1 70 GLY H 5.420 . 5.420 5.039 4.815 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 38 SER H 1 71 SER QB 6.190 . 6.190 3.517 2.770 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 38 SER H 1 71 SER H 3.410 . 3.410 3.139 2.854 3.421 0.011 9 0 "[ . 1 . 2 . 3]" 1
487 1 39 PRO HA 1 40 SER H 3.080 . 3.080 2.096 2.035 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 39 PRO HA 1 71 SER H 3.670 . 3.670 3.435 3.036 3.703 0.033 10 0 "[ . 1 . 2 . 3]" 1
489 1 39 PRO HA 1 72 GLY QA 4.040 . 4.040 3.633 2.878 4.055 0.015 14 0 "[ . 1 . 2 . 3]" 1
490 1 39 PRO QB 1 40 SER H 4.500 . 4.500 3.333 3.109 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 39 PRO QB 1 71 SER H 6.110 . 6.110 5.224 4.845 5.483 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 39 PRO HB3 1 40 SER H 4.260 . 4.260 3.730 3.389 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 39 PRO HB2 1 40 SER H 4.260 . 4.260 3.789 3.391 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 40 SER QB 1 41 THR H 4.970 . 4.970 2.497 2.107 3.106 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 40 SER H 1 41 THR MG 6.000 . 6.000 5.447 4.903 5.795 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 40 SER H 1 41 THR H 4.580 . 4.580 4.294 4.212 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 40 SER H 1 49 ILE MD 6.430 . 6.430 5.308 4.526 5.925 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 40 SER H 1 71 SER H 4.190 . 4.190 3.360 3.125 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 40 SER H 1 72 GLY QA 4.220 . 4.220 2.875 2.442 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 41 THR HA 1 42 PRO HA 4.570 . 4.570 4.390 4.105 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 41 THR HA 1 43 GLU H 4.020 . 4.020 4.063 3.826 4.221 0.201 9 0 "[ . 1 . 2 . 3]" 1
502 1 41 THR MG 1 43 GLU H 5.600 . 5.600 2.949 2.073 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 41 THR H 1 41 THR MG 4.220 . 4.220 2.063 1.827 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 41 THR H 1 42 PRO QD 4.160 . 4.160 4.222 3.733 4.300 0.140 26 0 "[ . 1 . 2 . 3]" 1
505 1 41 THR H 1 49 ILE MD 6.360 . 6.360 5.795 5.009 6.417 0.057 9 0 "[ . 1 . 2 . 3]" 1
506 1 42 PRO HA 1 43 GLU H 3.530 . 3.530 3.484 3.454 3.534 0.004 7 0 "[ . 1 . 2 . 3]" 1
507 1 42 PRO QB 1 43 GLU H 4.610 . 4.610 2.870 2.605 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 42 PRO QB 1 44 LEU H 6.220 . 6.220 4.633 4.493 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 43 GLU HA 1 45 VAL H 4.250 . 4.250 3.799 3.369 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 43 GLU QB 1 44 LEU H 5.250 . 5.250 3.339 2.668 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 43 GLU QG 1 44 LEU H 5.260 . 5.260 3.588 2.545 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 43 GLU H 1 43 GLU QB 3.810 . 3.810 2.606 2.349 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 43 GLU H 1 43 GLU QG 4.140 . 4.140 2.276 1.924 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 43 GLU H 1 43 GLU HG3 4.080 . 4.080 2.963 1.997 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 43 GLU H 1 43 GLU HG2 4.080 . 4.080 2.815 1.934 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 43 GLU H 1 44 LEU QD 7.170 . 7.170 4.333 3.319 5.347 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 43 GLU H 1 44 LEU H 3.420 . 3.420 2.628 2.518 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 43 GLU H 1 45 VAL H 4.280 . 4.280 4.156 3.870 4.307 0.027 10 0 "[ . 1 . 2 . 3]" 1
519 1 44 LEU HA 1 47 LYS H 5.500 . 5.500 4.319 3.975 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 44 LEU QB 1 45 VAL H 5.230 . 5.230 3.511 3.166 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 44 LEU H 1 44 LEU HB3 3.930 . 3.930 3.525 2.549 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 44 LEU H 1 44 LEU HB2 3.930 . 3.930 2.468 2.292 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 44 LEU H 1 44 LEU MD1 5.160 . 5.160 3.810 2.667 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 44 LEU H 1 44 LEU MD2 5.160 . 5.160 3.549 2.270 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 44 LEU H 1 45 VAL H 3.560 . 3.560 2.369 2.086 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 45 VAL HA 1 46 GLY H 3.580 . 3.580 2.113 2.075 2.154 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 45 VAL HA 1 47 LYS H 3.870 . 3.870 3.352 3.208 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 45 VAL HA 1 71 SER H 5.500 . 5.500 4.517 4.195 4.868 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 45 VAL HA 1 72 GLY H 4.470 . 4.470 3.763 2.814 4.495 0.025 23 0 "[ . 1 . 2 . 3]" 1
530 1 45 VAL QG 1 46 GLY H 4.830 . 4.830 2.624 2.481 2.685 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 45 VAL QG 1 47 LYS H 5.970 . 5.970 4.112 4.024 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 45 VAL QG 1 71 SER H 5.850 . 5.850 4.395 3.641 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 45 VAL QG 1 72 GLY H 4.910 . 4.910 2.147 1.798 2.875 0.002 16 0 "[ . 1 . 2 . 3]" 1
534 1 45 VAL MG1 1 72 GLY H 5.610 . 5.610 3.412 2.193 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 45 VAL MG2 1 72 GLY H 5.610 . 5.610 2.290 1.801 3.407 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 45 VAL H 1 45 VAL HB 3.290 . 3.290 2.566 2.472 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 45 VAL H 1 46 GLY H 4.850 . 4.850 4.525 4.474 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 46 GLY H 1 47 LYS H 3.620 . 3.620 2.466 2.301 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 47 LYS HA 1 48 VAL HA 4.670 . 4.670 4.297 4.218 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 47 LYS HA 1 48 VAL QG 5.900 . 5.900 3.419 3.228 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 47 LYS HA 1 48 VAL H 3.290 . 3.290 2.287 2.162 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 47 LYS QB 1 48 VAL H 4.800 . 4.800 2.740 2.284 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 47 LYS H 1 47 LYS QD 5.510 . 5.510 3.598 2.267 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 47 LYS H 1 47 LYS QG 4.690 . 4.690 3.109 2.249 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 47 LYS H 1 48 VAL HA 5.500 . 5.500 4.970 4.778 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 47 LYS H 1 48 VAL H 4.570 . 4.570 4.456 4.371 4.583 0.013 30 0 "[ . 1 . 2 . 3]" 1
547 1 47 LYS H 1 69 VAL QG 5.970 . 5.970 3.440 2.917 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 47 LYS H 1 70 GLY H 5.000 . 5.000 3.683 3.191 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 48 VAL HA 1 70 GLY H 4.040 . 4.040 2.982 2.655 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 48 VAL QG 1 51 THR HA 6.670 . 6.670 3.852 3.687 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 48 VAL QG 1 68 ILE H 5.740 . 5.740 2.971 2.738 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 48 VAL MG1 1 49 ILE H 5.570 . 5.570 2.635 2.368 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 48 VAL MG2 1 49 ILE H 5.570 . 5.570 4.055 3.984 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 48 VAL H 1 48 VAL HB 3.350 . 3.350 2.467 2.368 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 48 VAL H 1 49 ILE MG 6.530 . 6.530 4.843 4.621 5.126 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 48 VAL H 1 49 ILE H 4.790 . 4.790 4.475 4.412 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 48 VAL H 1 69 VAL HA 4.920 . 4.920 4.754 4.559 4.952 0.032 14 0 "[ . 1 . 2 . 3]" 1
558 1 48 VAL H 1 69 VAL QG 6.530 . 6.530 4.228 3.848 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 48 VAL H 1 69 VAL MG1 6.530 . 6.530 4.444 3.984 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 48 VAL H 1 69 VAL MG2 6.530 . 6.530 5.310 4.729 5.751 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 49 ILE HB 1 50 GLY H 4.150 . 4.150 4.097 3.890 4.211 0.061 9 0 "[ . 1 . 2 . 3]" 1
562 1 49 ILE MD 1 50 GLY H 5.620 . 5.620 4.368 3.226 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 49 ILE MD 1 70 GLY QA 4.990 . 4.990 2.542 2.156 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 49 ILE MD 1 70 GLY H 5.240 . 5.240 4.034 2.732 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 49 ILE QG 1 50 GLY H 4.710 . 4.710 2.746 2.386 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 49 ILE QG 1 69 VAL HA 5.770 . 5.770 3.591 3.254 5.203 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 49 ILE QG 1 70 GLY H 5.330 . 5.330 3.442 3.014 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 49 ILE HG12 1 50 GLY H 4.430 . 4.430 3.279 2.947 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 49 ILE MG 1 50 GLY H 5.360 . 5.360 4.177 4.044 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 49 ILE MG 1 70 GLY H 4.800 . 4.800 2.787 2.421 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 49 ILE H 1 49 ILE MD 5.060 . 5.060 3.671 1.789 3.843 0.011 9 0 "[ . 1 . 2 . 3]" 1
572 1 49 ILE H 1 49 ILE QG 5.060 . 5.060 2.051 1.934 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 49 ILE H 1 50 GLY H 3.800 . 3.800 2.164 2.082 2.262 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 49 ILE H 1 67 ILE MD 6.110 . 6.110 4.434 3.922 6.069 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 49 ILE H 1 69 VAL HA 4.460 . 4.460 3.016 2.648 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 49 ILE H 1 70 GLY H 4.610 . 4.610 3.336 2.999 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 50 GLY HA3 1 51 THR H 3.100 . 3.100 2.768 2.553 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 50 GLY HA2 1 51 THR H 3.100 . 3.100 2.340 2.160 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 50 GLY H 1 51 THR H 4.500 . 4.500 4.230 4.077 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 50 GLY H 1 67 ILE MD 5.940 . 5.940 4.628 4.174 6.121 0.181 8 0 "[ . 1 . 2 . 3]" 1
581 1 50 GLY H 1 68 ILE H 4.490 . 4.490 3.715 3.384 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 50 GLY H 1 69 VAL HA 4.730 . 4.730 4.663 4.359 4.758 0.028 13 0 "[ . 1 . 2 . 3]" 1
583 1 51 THR HA 1 52 ASN H 3.540 . 3.540 2.273 2.196 2.384 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 51 THR HA 1 67 ILE HA 4.330 . 4.330 2.476 2.075 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 51 THR HA 1 67 ILE MD 5.990 . 5.990 4.842 4.522 5.438 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 51 THR HA 1 68 ILE MD 5.310 . 5.310 2.864 2.360 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 51 THR HA 1 68 ILE H 4.190 . 4.190 2.782 2.503 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 51 THR HB 1 52 ASN H 3.500 . 3.500 2.839 2.582 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 51 THR HG1 1 52 ASN H 4.310 . 4.310 4.277 4.069 4.336 0.026 12 0 "[ . 1 . 2 . 3]" 1
590 1 51 THR MG 1 52 ASN H 5.090 . 5.090 3.693 3.406 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 51 THR MG 1 67 ILE QG 4.870 . 4.870 2.411 2.077 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 51 THR MG 1 67 ILE MG 6.590 . 6.590 4.057 2.190 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 51 THR MG 1 68 ILE H 5.290 . 5.290 3.421 2.963 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 51 THR H 1 51 THR HG1 3.890 . 3.890 3.157 2.747 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 51 THR H 1 51 THR MG 4.690 . 4.690 2.996 2.892 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 51 THR H 1 52 ASN H 4.640 . 4.640 4.371 4.267 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 51 THR H 1 68 ILE MD 5.910 . 5.910 4.119 3.755 5.572 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 52 ASN HA 1 52 ASN HD21 4.430 . 4.430 3.192 1.797 4.434 0.004 22 0 "[ . 1 . 2 . 3]" 1
599 1 52 ASN HA 1 52 ASN HD22 4.430 . 4.430 4.062 3.392 4.533 0.103 22 0 "[ . 1 . 2 . 3]" 1
600 1 52 ASN QB 1 66 ILE H 4.880 . 4.880 2.462 2.010 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 52 ASN HB3 1 66 ILE H 4.570 . 4.570 2.709 2.021 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 52 ASN HB2 1 66 ILE H 4.570 . 4.570 3.668 2.559 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 52 ASN QD 1 66 ILE HB 4.770 . 4.770 3.546 2.942 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 52 ASN QD 1 68 ILE MD 5.990 . 5.990 4.040 2.633 5.015 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 52 ASN HD21 1 66 ILE HB 4.630 . 4.630 3.739 3.120 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 52 ASN HD21 1 68 ILE MD 5.740 . 5.740 4.318 3.260 5.512 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 52 ASN HD22 1 66 ILE HB 4.630 . 4.630 4.536 3.296 4.700 0.070 13 0 "[ . 1 . 2 . 3]" 1
608 1 52 ASN HD22 1 68 ILE MD 5.740 . 5.740 5.272 2.779 5.800 0.060 21 0 "[ . 1 . 2 . 3]" 1
609 1 52 ASN H 1 65 VAL HA 5.500 . 5.500 5.005 4.545 5.505 0.005 15 0 "[ . 1 . 2 . 3]" 1
610 1 52 ASN H 1 66 ILE HB 4.000 . 4.000 3.184 2.810 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 52 ASN H 1 66 ILE MD 5.520 . 5.520 4.618 4.065 5.228 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 52 ASN H 1 66 ILE H 4.120 . 4.120 3.532 3.042 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 52 ASN H 1 68 ILE MD 4.980 . 4.980 3.052 2.595 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 53 PRO QD 1 66 ILE H 5.060 . 5.060 2.184 1.885 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 54 PRO HA 1 55 ALA H 3.060 . 3.060 2.181 2.108 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 54 PRO QB 1 55 ALA H 3.190 . 3.190 3.019 2.682 3.206 0.016 16 0 "[ . 1 . 2 . 3]" 1
617 1 54 PRO QB 1 57 GLN QE 3.400 . 3.400 2.874 1.837 3.496 0.096 16 0 "[ . 1 . 2 . 3]" 1
618 1 54 PRO QB 1 57 GLN H 3.260 . 3.260 2.632 1.832 3.285 0.025 12 0 "[ . 1 . 2 . 3]" 1
619 1 54 PRO HB3 1 55 ALA H 3.810 . 3.810 3.642 3.142 3.833 0.023 6 0 "[ . 1 . 2 . 3]" 1
620 1 54 PRO HB2 1 55 ALA H 3.810 . 3.810 3.246 2.786 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 54 PRO QG 1 56 ASN H 4.260 . 4.260 4.068 3.107 4.365 0.105 14 0 "[ . 1 . 2 . 3]" 1
622 1 54 PRO QG 1 57 GLN QE 3.630 . 3.630 2.841 1.849 3.821 0.191 10 0 "[ . 1 . 2 . 3]" 1
623 1 54 PRO QG 1 57 GLN H 3.780 . 3.780 3.296 2.611 3.852 0.072 22 0 "[ . 1 . 2 . 3]" 1
624 1 55 ALA HA 1 56 ASN H 3.580 . 3.580 3.193 2.959 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 55 ALA HA 1 57 GLN H 4.350 . 4.350 3.912 3.352 4.379 0.029 25 0 "[ . 1 . 2 . 3]" 1
626 1 55 ALA MB 1 56 ASN H 4.880 . 4.880 3.093 2.706 3.416 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 55 ALA H 1 56 ASN HA 4.850 . 4.850 4.866 4.704 4.926 0.076 15 0 "[ . 1 . 2 . 3]" 1
628 1 55 ALA H 1 56 ASN H 4.100 . 4.100 2.335 2.067 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 56 ASN HA 1 56 ASN QD 3.780 . 3.780 3.129 1.934 3.906 0.126 8 0 "[ . 1 . 2 . 3]" 1
630 1 56 ASN HA 1 56 ASN HD21 4.410 . 4.410 3.303 1.943 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 56 ASN HA 1 56 ASN HD22 4.410 . 4.410 4.037 3.497 4.481 0.071 8 0 "[ . 1 . 2 . 3]" 1
632 1 56 ASN QB 1 56 ASN QD 2.800 . 2.800 2.197 2.059 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 56 ASN HB3 1 56 ASN HD22 4.000 . 4.000 3.632 3.422 4.040 0.040 14 0 "[ . 1 . 2 . 3]" 1
634 1 56 ASN HB3 1 57 GLN H 4.640 . 4.640 3.576 2.750 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 56 ASN HB2 1 56 ASN HD22 4.000 . 4.000 3.810 3.445 4.031 0.031 18 0 "[ . 1 . 2 . 3]" 1
636 1 56 ASN HB2 1 57 GLN H 4.640 . 4.640 3.525 2.665 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 56 ASN H 1 56 ASN QD 4.960 . 4.960 4.280 2.867 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 56 ASN H 1 57 GLN QB 5.170 . 5.170 4.399 3.622 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 56 ASN H 1 57 GLN H 3.760 . 3.760 2.265 2.040 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 57 GLN HA 1 57 GLN QE 4.060 . 4.060 3.607 1.795 4.222 0.162 4 0 "[ . 1 . 2 . 3]" 1
641 1 57 GLN HA 1 57 GLN HG3 3.980 . 3.980 2.797 2.421 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 57 GLN HA 1 57 GLN HG2 3.980 . 3.980 3.578 2.421 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 57 GLN HA 1 58 THR H 2.800 . 2.800 2.425 2.230 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 57 GLN QB 1 57 GLN QE 3.900 . 3.900 2.398 1.773 3.374 0.027 8 0 "[ . 1 . 2 . 3]" 1
645 1 57 GLN QB 1 58 THR H 4.160 . 4.160 2.390 2.041 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 57 GLN QB 1 59 SER H 6.220 . 6.220 5.076 4.382 5.945 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 57 GLN HB3 1 58 THR H 3.830 . 3.830 2.613 2.060 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 57 GLN HB2 1 58 THR H 3.830 . 3.830 3.502 2.304 3.927 0.097 16 0 "[ . 1 . 2 . 3]" 1
649 1 57 GLN QG 1 58 THR H 4.240 . 4.240 3.600 1.939 4.309 0.069 10 0 "[ . 1 . 2 . 3]" 1
650 1 57 GLN H 1 57 GLN HG3 5.010 . 5.010 3.931 2.899 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 57 GLN H 1 57 GLN HG2 5.010 . 5.010 4.042 2.112 4.811 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 57 GLN H 1 58 THR H 4.670 . 4.670 4.451 4.318 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 58 THR HA 1 59 SER H 2.810 . 2.810 2.177 2.099 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 58 THR HB 1 59 SER H 3.710 . 3.710 3.240 2.902 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 58 THR MG 1 59 SER H 5.110 . 5.110 3.826 3.688 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 58 THR H 1 58 THR HB 3.660 . 3.660 3.523 3.421 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 58 THR H 1 58 THR MG 4.440 . 4.440 2.610 2.371 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 58 THR H 1 59 SER H 4.630 . 4.630 4.414 4.201 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 59 SER HA 1 60 ALA H 2.870 . 2.870 2.297 2.184 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 59 SER QB 1 60 ALA H 4.500 . 4.500 2.862 2.688 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 59 SER QB 1 63 ASN QD 5.750 . 5.750 3.915 2.600 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 59 SER H 1 60 ALA H 4.760 . 4.760 4.452 4.336 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 59 SER H 1 61 ILE MD 5.940 . 5.940 5.466 4.658 6.028 0.088 1 0 "[ . 1 . 2 . 3]" 1
664 1 60 ALA HA 1 61 ILE H 3.220 . 3.220 2.195 2.087 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 60 ALA HA 1 62 THR H 3.960 . 3.960 3.930 3.757 4.029 0.069 22 0 "[ . 1 . 2 . 3]" 1
666 1 60 ALA MB 1 61 ILE H 5.010 . 5.010 2.662 2.447 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 60 ALA MB 1 62 THR H 4.190 . 4.190 2.576 2.403 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 60 ALA MB 1 63 ASN QB 4.530 . 4.530 3.381 1.935 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 60 ALA MB 1 63 ASN HD21 4.320 . 4.320 2.395 1.869 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 60 ALA MB 1 63 ASN HD22 4.320 . 4.320 2.550 2.021 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 60 ALA MB 1 63 ASN H 4.390 . 4.390 3.233 2.786 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 60 ALA H 1 63 ASN QB 4.210 . 4.210 3.509 2.287 4.244 0.034 5 0 "[ . 1 . 2 . 3]" 1
673 1 60 ALA H 1 63 ASN QD 3.390 . 3.390 2.973 2.238 3.411 0.021 2 0 "[ . 1 . 2 . 3]" 1
674 1 60 ALA H 1 63 ASN HD21 3.940 . 3.940 3.551 2.335 4.086 0.146 23 0 "[ . 1 . 2 . 3]" 1
675 1 60 ALA H 1 63 ASN HD22 3.940 . 3.940 3.361 2.621 4.035 0.095 30 0 "[ . 1 . 2 . 3]" 1
676 1 61 ILE HA 1 61 ILE MD 4.400 . 4.400 2.171 2.025 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 61 ILE HA 1 63 ASN H 4.040 . 4.040 3.564 3.132 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 61 ILE MD 1 62 THR H 5.710 . 5.710 4.624 4.212 5.095 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 61 ILE MD 1 63 ASN H 6.060 . 6.060 5.146 4.852 6.131 0.071 1 0 "[ . 1 . 2 . 3]" 1
680 1 61 ILE MG 1 62 THR H 5.340 . 5.340 3.650 3.132 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 61 ILE MG 1 63 ASN H 5.880 . 5.880 4.585 4.326 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 61 ILE H 1 61 ILE HB 4.110 . 4.110 2.456 2.172 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 61 ILE H 1 61 ILE MD 4.410 . 4.410 3.055 2.176 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 61 ILE H 1 61 ILE QG 4.800 . 4.800 2.284 2.005 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 61 ILE H 1 62 THR H 3.650 . 3.650 2.638 2.414 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 61 ILE H 1 63 ASN H 4.330 . 4.330 4.174 3.841 4.331 0.001 6 0 "[ . 1 . 2 . 3]" 1
687 1 62 THR HA 1 62 THR HB 2.940 . 2.940 2.476 2.407 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 62 THR HB 1 63 ASN H 4.760 . 4.760 4.465 4.328 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 62 THR MG 1 63 ASN QB 5.420 . 5.420 4.203 3.674 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 62 THR MG 1 63 ASN H 4.600 . 4.600 3.175 2.886 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 62 THR H 1 62 THR HB 3.840 . 3.840 2.740 2.508 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 62 THR H 1 62 THR MG 3.950 . 3.950 2.040 1.920 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 62 THR H 1 63 ASN QB 4.400 . 4.400 4.370 3.892 4.488 0.088 24 0 "[ . 1 . 2 . 3]" 1
694 1 62 THR H 1 63 ASN H 2.990 . 2.990 2.574 2.358 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 63 ASN HA 1 63 ASN QD 3.420 . 3.420 2.598 1.915 3.518 0.098 8 0 "[ . 1 . 2 . 3]" 1
696 1 63 ASN HA 1 63 ASN HD21 3.970 . 3.970 2.688 1.922 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 63 ASN HA 1 63 ASN HD22 3.970 . 3.970 3.743 3.428 4.115 0.145 30 0 "[ . 1 . 2 . 3]" 1
698 1 63 ASN HA 1 64 VAL HA 4.550 . 4.550 4.331 4.249 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 63 ASN HA 1 64 VAL QG 6.210 . 6.210 3.620 3.273 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 63 ASN HA 1 64 VAL H 2.750 . 2.750 2.229 2.102 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 63 ASN QB 1 63 ASN QD 2.900 . 2.900 2.487 1.988 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 63 ASN QB 1 64 VAL H 3.440 . 3.440 2.874 2.506 3.501 0.061 7 0 "[ . 1 . 2 . 3]" 1
703 1 63 ASN QD 1 64 VAL H 5.340 . 5.340 4.331 3.739 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 63 ASN H 1 63 ASN QB 2.820 . 2.820 2.280 2.170 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 63 ASN H 1 63 ASN QD 4.330 . 4.330 2.863 2.297 4.367 0.037 7 0 "[ . 1 . 2 . 3]" 1
706 1 63 ASN H 1 64 VAL H 4.630 . 4.630 4.535 4.471 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 64 VAL HA 1 65 VAL H 3.080 . 3.080 2.124 2.035 2.194 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 64 VAL HB 1 65 VAL H 4.580 . 4.580 4.254 4.117 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 64 VAL QG 1 65 VAL H 5.900 . 5.900 2.866 2.683 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 64 VAL QG 1 66 ILE QG 4.960 . 4.960 2.767 2.252 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 64 VAL QG 1 66 ILE H 6.590 . 6.590 3.801 3.520 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 64 VAL H 1 64 VAL HB 3.070 . 3.070 2.765 2.480 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 64 VAL H 1 65 VAL H 4.650 . 4.650 4.360 4.206 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 65 VAL HA 1 66 ILE H 3.180 . 3.180 2.119 2.054 2.179 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 65 VAL QG 1 66 ILE H 6.230 . 6.230 2.900 2.792 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 65 VAL H 1 65 VAL HB 3.670 . 3.670 2.520 2.459 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 66 ILE HA 1 66 ILE MD 4.790 . 4.790 3.409 3.046 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 66 ILE HA 1 67 ILE H 3.080 . 3.080 2.065 2.020 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 66 ILE QG 1 67 ILE H 4.690 . 4.690 4.246 4.121 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 66 ILE MG 1 67 ILE H 5.300 . 5.300 2.887 2.727 3.169 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 66 ILE MG 1 68 ILE MD 6.180 . 6.180 2.651 2.072 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 66 ILE H 1 66 ILE HB 3.510 . 3.510 2.595 2.491 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 66 ILE H 1 66 ILE MD 4.430 . 4.430 2.585 1.933 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 66 ILE H 1 66 ILE QG 3.740 . 3.740 3.090 2.280 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 67 ILE HA 1 67 ILE MD 4.570 . 4.570 3.304 3.186 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 67 ILE HA 1 68 ILE HA 4.640 . 4.640 4.316 4.282 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 67 ILE HA 1 68 ILE H 3.470 . 3.470 2.154 2.109 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 67 ILE HB 1 68 ILE H 4.510 . 4.510 4.208 3.230 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 67 ILE MD 1 68 ILE H 4.420 . 4.420 2.993 2.676 4.429 0.009 20 0 "[ . 1 . 2 . 3]" 1
730 1 67 ILE MD 1 69 VAL H 4.640 . 4.640 3.392 3.212 4.713 0.073 20 0 "[ . 1 . 2 . 3]" 1
731 1 67 ILE QG 1 68 ILE HA 4.840 . 4.840 4.779 3.779 4.891 0.051 30 0 "[ . 1 . 2 . 3]" 1
732 1 67 ILE QG 1 68 ILE MD 5.550 . 5.550 4.739 4.203 5.613 0.063 6 0 "[ . 1 . 2 . 3]" 1
733 1 67 ILE MG 1 68 ILE H 5.880 . 5.880 4.203 4.104 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 67 ILE H 1 67 ILE HB 3.510 . 3.510 3.013 2.892 3.683 0.173 8 0 "[ . 1 . 2 . 3]" 1
735 1 67 ILE H 1 67 ILE MD 5.050 . 5.050 4.030 2.349 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 67 ILE H 1 68 ILE HA 4.980 . 4.980 4.859 4.735 4.982 0.002 17 0 "[ . 1 . 2 . 3]" 1
737 1 67 ILE H 1 68 ILE MD 5.770 . 5.770 4.452 3.807 5.800 0.030 14 0 "[ . 1 . 2 . 3]" 1
738 1 67 ILE H 1 68 ILE QG 6.220 . 6.220 5.120 4.337 6.242 0.022 15 0 "[ . 1 . 2 . 3]" 1
739 1 68 ILE HA 1 69 VAL HA 4.690 . 4.690 4.367 4.265 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 68 ILE HA 1 69 VAL HB 5.030 . 5.030 4.657 4.533 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 68 ILE HA 1 69 VAL H 3.070 . 3.070 2.068 1.980 2.125 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 68 ILE HB 1 69 VAL HA 5.500 . 5.500 4.947 4.653 5.127 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 68 ILE HB 1 69 VAL H 4.480 . 4.480 4.061 3.164 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 68 ILE MD 1 69 VAL H 6.270 . 6.270 4.969 3.982 5.378 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 68 ILE QG 1 69 VAL H 5.590 . 5.590 4.308 4.171 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 68 ILE MG 1 69 VAL H 5.060 . 5.060 2.958 2.641 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 68 ILE H 1 68 ILE HB 3.860 . 3.860 2.780 2.484 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 68 ILE H 1 68 ILE MD 5.050 . 5.050 2.499 1.804 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 68 ILE H 1 68 ILE QG 4.430 . 4.430 3.012 2.252 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 68 ILE H 1 69 VAL H 4.650 . 4.650 4.277 4.137 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 69 VAL HA 1 70 GLY H 3.450 . 3.450 2.219 2.177 2.265 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 69 VAL HB 1 70 GLY H 4.510 . 4.510 3.902 3.773 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 69 VAL QG 1 70 GLY H 5.770 . 5.770 2.445 2.280 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 69 VAL H 1 69 VAL HB 3.360 . 3.360 2.620 2.540 2.678 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 69 VAL H 1 70 GLY H 4.830 . 4.830 4.508 4.461 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 70 GLY QA 1 71 SER QB 5.200 . 5.200 4.030 3.802 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 70 GLY QA 1 71 SER H 3.090 . 3.090 2.111 2.065 2.159 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 70 GLY H 1 71 SER H 4.730 . 4.730 4.381 4.241 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 71 SER HB3 1 72 GLY H 4.620 . 4.620 3.624 2.650 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 71 SER HB2 1 72 GLY H 4.620 . 4.620 3.940 2.797 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 71 SER H 1 71 SER HB3 4.040 . 4.040 3.081 2.418 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 71 SER H 1 71 SER HB2 4.040 . 4.040 2.896 2.460 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 71 SER H 1 72 GLY QA 4.680 . 4.680 4.509 4.286 4.710 0.030 4 0 "[ . 1 . 2 . 3]" 1
764 1 71 SER H 1 72 GLY H 4.450 . 4.450 4.364 4.231 4.454 0.004 11 0 "[ . 1 . 2 . 3]" 1
765 1 73 PRO HA 1 74 ALA H 3.200 . 3.200 2.121 2.030 2.318 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 73 PRO QB 1 74 ALA H 3.390 . 3.390 3.357 2.790 3.485 0.095 4 0 "[ . 1 . 2 . 3]" 1
767 1 73 PRO QB 1 75 THR H 4.440 . 4.440 4.016 3.114 4.458 0.018 6 0 "[ . 1 . 2 . 3]" 1
768 1 73 PRO HB3 1 74 ALA H 3.970 . 3.970 3.802 3.216 4.013 0.043 6 0 "[ . 1 . 2 . 3]" 1
769 1 73 PRO HB2 1 74 ALA H 3.970 . 3.970 3.765 2.895 3.983 0.013 21 0 "[ . 1 . 2 . 3]" 1
770 1 73 PRO QG 1 74 ALA H 5.650 . 5.650 4.770 4.319 4.909 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 74 ALA HA 1 75 THR H 2.650 . 2.650 2.150 2.053 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 74 ALA HA 1 128 VAL QG 5.950 . 5.950 3.363 2.866 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 74 ALA MB 1 75 THR H 4.810 . 4.810 3.497 3.324 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 74 ALA MB 1 127 PRO HA 6.100 . 6.100 4.528 4.108 4.824 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 74 ALA MB 1 129 ASP H 5.660 . 5.660 4.264 3.714 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 74 ALA H 1 75 THR H 4.100 . 4.100 4.002 3.419 4.170 0.070 12 0 "[ . 1 . 2 . 3]" 1
777 1 75 THR HA 1 76 LYS H 3.060 . 3.060 2.365 2.217 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 75 THR HA 1 128 VAL HB 5.040 . 5.040 5.148 5.090 5.204 0.164 12 0 "[ . 1 . 2 . 3]" 1
779 1 75 THR HA 1 128 VAL QG 6.340 . 6.340 2.358 2.277 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 75 THR HA 1 128 VAL H 4.090 . 4.090 2.416 2.187 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 75 THR HA 1 129 ASP H 5.050 . 5.050 4.850 4.599 5.086 0.036 25 0 "[ . 1 . 2 . 3]" 1
782 1 75 THR HB 1 76 LYS HA 4.700 . 4.700 4.208 4.030 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 75 THR HB 1 76 LYS QB 6.180 . 6.180 4.946 4.684 5.189 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 75 THR HB 1 76 LYS H 3.320 . 3.320 2.623 2.417 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 75 THR HB 1 126 VAL H 4.300 . 4.300 3.752 3.343 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 75 THR HB 1 127 PRO HA 4.160 . 4.160 3.600 3.190 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 75 THR MG 1 76 LYS H 5.110 . 5.110 3.662 3.527 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 75 THR MG 1 127 PRO HA 4.310 . 4.310 1.894 1.802 1.984 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 75 THR MG 1 127 PRO QB 6.420 . 6.420 2.999 2.725 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 75 THR MG 1 128 VAL H 5.200 . 5.200 3.472 3.323 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 75 THR H 1 75 THR HB 3.940 . 3.940 3.710 3.585 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 75 THR H 1 75 THR MG 4.400 . 4.400 3.086 2.823 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 75 THR H 1 76 LYS H 4.630 . 4.630 4.390 4.328 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 75 THR H 1 127 PRO HA 4.990 . 4.990 4.551 4.360 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 75 THR H 1 128 VAL QG 6.360 . 6.360 3.279 3.045 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 75 THR H 1 128 VAL MG1 6.510 . 6.510 3.392 3.129 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 75 THR H 1 128 VAL MG2 6.510 . 6.510 4.407 3.818 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 75 THR H 1 128 VAL H 4.640 . 4.640 4.431 4.170 4.647 0.007 25 0 "[ . 1 . 2 . 3]" 1
799 1 76 LYS HA 1 77 ASP H 2.710 . 2.710 2.222 2.092 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 76 LYS QB 1 77 ASP H 3.990 . 3.990 2.989 2.311 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 76 LYS QB 1 98 PHE QD 7.980 . 7.980 4.022 3.290 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 76 LYS QB 1 98 PHE QE 6.570 . 6.570 2.645 2.100 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 76 LYS QB 1 98 PHE HZ 4.600 . 4.600 2.801 2.230 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 76 LYS QB 1 128 VAL QG 6.660 . 6.660 2.568 2.052 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 76 LYS QD 1 77 ASP H 5.900 . 5.900 3.994 1.806 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 76 LYS H 1 76 LYS HB3 3.970 . 3.970 3.504 2.636 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 76 LYS H 1 76 LYS HB2 3.970 . 3.970 2.975 2.699 3.431 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 76 LYS H 1 76 LYS QG 5.100 . 5.100 3.677 3.251 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 76 LYS H 1 77 ASP H 4.420 . 4.420 4.276 4.125 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 76 LYS H 1 98 PHE QE 6.710 . 6.710 3.271 2.437 4.184 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 76 LYS H 1 98 PHE HZ 4.440 . 4.440 3.248 2.608 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 76 LYS H 1 125 THR HB 5.500 . 5.500 5.468 5.032 5.571 0.071 21 0 "[ . 1 . 2 . 3]" 1
813 1 76 LYS H 1 126 VAL H 3.600 . 3.600 2.901 2.766 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 76 LYS H 1 127 PRO HA 3.900 . 3.900 3.874 3.647 3.981 0.081 13 0 "[ . 1 . 2 . 3]" 1
815 1 76 LYS H 1 128 VAL QG 6.160 . 6.160 3.172 2.761 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 76 LYS H 1 128 VAL H 4.720 . 4.720 4.174 3.920 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 77 ASP HA 1 78 ILE H 3.590 . 3.590 2.118 2.046 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 77 ASP HA 1 124 THR H 5.340 . 5.340 4.875 4.384 5.349 0.009 9 0 "[ . 1 . 2 . 3]" 1
819 1 77 ASP HA 1 125 THR HA 3.800 . 3.800 1.918 1.795 2.080 0.005 22 0 "[ . 1 . 2 . 3]" 1
820 1 77 ASP HA 1 125 THR MG 5.990 . 5.990 3.390 2.665 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 77 ASP HA 1 125 THR H 4.600 . 4.600 4.098 3.893 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 77 ASP HA 1 126 VAL QG 7.560 . 7.560 4.040 3.748 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 77 ASP HA 1 126 VAL H 4.230 . 4.230 3.397 3.163 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 77 ASP QB 1 78 ILE H 5.100 . 5.100 3.160 2.822 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 77 ASP H 1 77 ASP QB 3.890 . 3.890 2.582 2.114 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 77 ASP H 1 78 ILE H 4.670 . 4.670 4.441 4.278 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 77 ASP H 1 98 PHE HZ 5.500 . 5.500 5.211 4.512 5.538 0.038 10 0 "[ . 1 . 2 . 3]" 1
828 1 77 ASP H 1 126 VAL H 5.160 . 5.160 4.891 4.686 5.166 0.006 5 0 "[ . 1 . 2 . 3]" 1
829 1 78 ILE HB 1 126 VAL QG 7.560 . 7.560 4.797 4.227 5.737 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 78 ILE MD 1 122 ALA H 5.630 . 5.630 4.134 3.184 5.617 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 78 ILE MD 1 124 THR HB 4.830 . 4.830 2.906 2.048 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 78 ILE MD 1 124 THR H 4.990 . 4.990 3.556 2.235 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 78 ILE QG 1 122 ALA HA 4.810 . 4.810 2.072 1.854 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 78 ILE QG 1 122 ALA H 5.540 . 5.540 4.288 4.016 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 78 ILE QG 1 123 GLY H 4.930 . 4.930 2.684 2.265 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 78 ILE QG 1 124 THR H 4.450 . 4.450 2.933 2.370 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 78 ILE HG12 1 122 ALA H 5.500 . 5.500 5.449 4.556 5.562 0.062 12 0 "[ . 1 . 2 . 3]" 1
838 1 78 ILE HG12 1 124 THR H 4.140 . 4.140 3.130 2.460 4.155 0.015 26 0 "[ . 1 . 2 . 3]" 1
839 1 78 ILE H 1 78 ILE HB 3.760 . 3.760 3.692 3.628 3.788 0.028 10 0 "[ . 1 . 2 . 3]" 1
840 1 78 ILE H 1 78 ILE MD 5.230 . 5.230 3.538 1.760 3.977 0.040 26 0 "[ . 1 . 2 . 3]" 1
841 1 78 ILE H 1 78 ILE QG 4.380 . 4.380 2.226 1.932 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 78 ILE H 1 79 PRO QD 5.350 . 5.350 4.275 4.091 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 78 ILE H 1 122 ALA HA 5.500 . 5.500 4.551 3.953 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 78 ILE H 1 124 THR H 4.240 . 4.240 3.802 3.530 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 78 ILE H 1 126 VAL QG 7.480 . 7.480 3.906 3.465 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 78 ILE H 1 126 VAL H 4.630 . 4.630 4.340 4.059 4.661 0.031 8 0 "[ . 1 . 2 . 3]" 1
847 1 79 PRO HA 1 80 ASP H 2.780 . 2.780 2.433 2.126 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 80 ASP HA 1 81 VAL QG 6.610 . 6.610 3.488 3.148 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 80 ASP HA 1 81 VAL H 3.140 . 3.140 2.104 1.994 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 80 ASP HA 1 82 ALA H 3.950 . 3.950 3.475 2.839 4.065 0.115 24 0 "[ . 1 . 2 . 3]" 1
851 1 80 ASP QB 1 81 VAL H 4.910 . 4.910 3.561 2.719 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 80 ASP QB 1 82 ALA H 5.150 . 5.150 3.679 2.506 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 80 ASP HB3 1 81 VAL H 4.690 . 4.690 4.191 3.847 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 80 ASP HB3 1 82 ALA H 4.930 . 4.930 4.388 3.220 4.939 0.009 11 0 "[ . 1 . 2 . 3]" 1
855 1 80 ASP HB2 1 81 VAL H 4.690 . 4.690 3.926 2.764 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 80 ASP HB2 1 82 ALA H 4.930 . 4.930 4.155 2.526 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 80 ASP H 1 80 ASP HB3 3.560 . 3.560 2.554 2.352 3.591 0.031 13 0 "[ . 1 . 2 . 3]" 1
858 1 80 ASP H 1 80 ASP HB2 3.560 . 3.560 3.026 2.384 3.655 0.095 26 0 "[ . 1 . 2 . 3]" 1
859 1 80 ASP H 1 81 VAL H 4.450 . 4.450 4.370 4.075 4.493 0.043 10 0 "[ . 1 . 2 . 3]" 1
860 1 81 VAL HA 1 82 ALA H 3.470 . 3.470 3.015 2.384 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 81 VAL HB 1 82 ALA H 5.290 . 5.290 4.265 3.462 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 81 VAL QG 1 82 ALA H 5.890 . 5.890 3.349 2.875 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 81 VAL QG 1 83 GLY H 7.250 . 7.250 4.976 4.279 5.713 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 81 VAL QG 1 89 ALA MB 6.970 . 6.970 2.241 1.859 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 81 VAL QG 1 92 ASN QD 6.980 . 6.980 3.458 2.836 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 81 VAL QG 1 92 ASN H 6.800 . 6.800 4.267 3.665 5.900 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 81 VAL QG 1 93 LEU H 6.750 . 6.750 3.243 2.615 5.411 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 81 VAL MG1 1 82 ALA H 5.650 . 5.650 3.837 2.930 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 81 VAL MG2 1 82 ALA H 5.650 . 5.650 3.967 2.964 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 81 VAL H 1 82 ALA HA 4.370 . 4.370 4.273 3.897 4.464 0.094 17 0 "[ . 1 . 2 . 3]" 1
871 1 81 VAL H 1 82 ALA MB 4.800 . 4.800 3.589 3.325 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 81 VAL H 1 82 ALA H 3.020 . 3.020 2.211 1.818 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 81 VAL H 1 115 VAL QG 6.910 . 6.910 4.334 2.958 5.053 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 82 ALA HA 1 83 GLY H 2.990 . 2.990 2.226 2.081 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 82 ALA HA 1 84 GLN H 4.220 . 4.220 3.284 2.858 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 82 ALA HA 1 115 VAL H 4.750 . 4.750 4.496 4.086 4.849 0.099 29 0 "[ . 1 . 2 . 3]" 1
877 1 82 ALA MB 1 83 GLY H 4.700 . 4.700 2.853 2.422 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 82 ALA MB 1 84 GLN H 6.230 . 6.230 4.361 3.940 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 82 ALA H 1 83 GLY H 4.580 . 4.580 4.541 4.295 4.610 0.030 11 0 "[ . 1 . 2 . 3]" 1
880 1 82 ALA H 1 115 VAL QG 7.100 . 7.100 4.042 3.647 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 83 GLY QA 1 114 GLU QG 4.810 . 4.810 3.876 2.690 4.843 0.033 22 0 "[ . 1 . 2 . 3]" 1
882 1 83 GLY H 1 84 GLN HA 4.760 . 4.760 4.792 4.527 4.862 0.102 19 0 "[ . 1 . 2 . 3]" 1
883 1 83 GLY H 1 84 GLN H 3.580 . 3.580 2.368 2.135 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 83 GLY H 1 114 GLU QB 4.390 . 4.390 3.585 3.074 4.306 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 83 GLY H 1 114 GLU QG 5.130 . 5.130 4.508 3.683 5.167 0.037 11 0 "[ . 1 . 2 . 3]" 1
886 1 83 GLY H 1 115 VAL HB 4.870 . 4.870 3.702 2.355 4.940 0.070 5 0 "[ . 1 . 2 . 3]" 1
887 1 83 GLY H 1 115 VAL QG 6.550 . 6.550 2.953 1.996 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 83 GLY H 1 115 VAL H 4.630 . 4.630 3.461 3.012 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 83 GLY H 1 116 THR HA 4.920 . 4.920 4.191 3.460 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 84 GLN HA 1 85 THR H 3.000 . 3.000 2.738 2.549 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 84 GLN HA 1 88 VAL QG 4.650 . 4.650 3.646 3.379 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 84 GLN QB 1 88 VAL QG 4.980 . 4.980 1.941 1.799 2.657 0.001 29 0 "[ . 1 . 2 . 3]" 1
893 1 84 GLN QB 1 92 ASN QD 6.920 . 6.920 4.185 3.509 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 84 GLN HB3 1 85 THR H 3.110 . 3.110 2.047 1.767 2.374 0.033 14 0 "[ . 1 . 2 . 3]" 1
895 1 84 GLN HB2 1 85 THR H 3.110 . 3.110 3.082 2.808 3.206 0.096 30 0 "[ . 1 . 2 . 3]" 1
896 1 84 GLN QE 1 85 THR H 4.630 . 4.630 4.390 3.796 4.787 0.157 19 0 "[ . 1 . 2 . 3]" 1
897 1 84 GLN QE 1 89 ALA HA 4.170 . 4.170 2.726 1.895 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 84 GLN HE21 1 89 ALA HA 5.030 . 5.030 2.917 2.024 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 84 GLN HE21 1 92 ASN QD 4.970 . 4.970 3.488 2.759 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 84 GLN HE21 1 92 ASN HD21 4.730 . 4.730 3.759 2.804 4.787 0.057 13 0 "[ . 1 . 2 . 3]" 1
901 1 84 GLN HE21 1 92 ASN HD22 4.730 . 4.730 4.387 3.083 4.776 0.046 23 0 "[ . 1 . 2 . 3]" 1
902 1 84 GLN HE22 1 89 ALA HA 5.030 . 5.030 3.362 2.213 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 84 GLN HE22 1 92 ASN QD 4.970 . 4.970 2.518 1.976 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 84 GLN HE22 1 92 ASN HD21 4.730 . 4.730 2.780 2.040 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 84 GLN HE22 1 92 ASN HD22 4.730 . 4.730 3.305 1.985 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 84 GLN QG 1 85 THR H 5.330 . 5.330 3.876 3.665 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 84 GLN H 1 84 GLN HB3 3.800 . 3.800 3.668 3.593 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 84 GLN H 1 84 GLN HB2 3.800 . 3.800 2.555 2.426 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 84 GLN H 1 84 GLN QG 4.380 . 4.380 2.553 2.227 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 84 GLN H 1 84 GLN HG3 4.180 . 4.180 2.602 2.263 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 84 GLN H 1 84 GLN HG2 4.180 . 4.180 3.717 3.329 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 84 GLN H 1 85 THR H 4.430 . 4.430 4.427 4.271 4.494 0.064 27 0 "[ . 1 . 2 . 3]" 1
913 1 84 GLN H 1 89 ALA MB 5.540 . 5.540 3.867 3.163 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 84 GLN H 1 115 VAL QG 6.740 . 6.740 3.261 2.008 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 84 GLN H 1 115 VAL MG1 6.310 . 6.310 3.678 2.011 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 84 GLN H 1 115 VAL MG2 6.310 . 6.310 4.420 3.662 5.454 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 84 GLN H 1 115 VAL H 4.520 . 4.520 3.694 3.123 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 85 THR HA 1 86 VAL QG 6.720 . 6.720 3.870 3.412 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 85 THR HA 1 86 VAL H 3.130 . 3.130 2.322 2.243 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 85 THR HA 1 87 ASP H 4.390 . 4.390 4.412 4.175 4.506 0.116 28 0 "[ . 1 . 2 . 3]" 1
921 1 85 THR HA 1 88 VAL QG 5.860 . 5.860 3.796 3.669 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 85 THR HA 1 88 VAL H 4.610 . 4.610 4.671 4.543 4.750 0.140 28 0 "[ . 1 . 2 . 3]" 1
923 1 85 THR MG 1 86 VAL H 4.860 . 4.860 2.448 1.960 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 85 THR MG 1 87 ASP QB 5.830 . 5.830 3.709 2.679 5.602 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 85 THR MG 1 87 ASP H 5.280 . 5.280 2.954 2.008 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 85 THR MG 1 88 VAL H 5.380 . 5.380 3.705 3.098 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 85 THR H 1 85 THR MG 4.720 . 4.720 3.477 2.408 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 85 THR H 1 86 VAL H 4.650 . 4.650 4.565 4.484 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 85 THR H 1 88 VAL HA 5.500 . 5.500 5.620 5.278 5.688 0.188 24 0 "[ . 1 . 2 . 3]" 1
930 1 85 THR H 1 88 VAL H 4.300 . 4.300 3.899 3.760 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 85 THR H 1 89 ALA H 4.410 . 4.410 3.824 3.580 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 86 VAL HA 1 89 ALA H 4.330 . 4.330 3.782 3.434 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 86 VAL HB 1 87 ASP H 4.120 . 4.120 3.645 2.219 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 86 VAL HB 1 103 GLN QE 5.520 . 5.520 4.959 3.939 5.572 0.052 26 0 "[ . 1 . 2 . 3]" 1
935 1 86 VAL QG 1 87 ASP H 5.490 . 5.490 2.367 2.032 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 86 VAL QG 1 89 ALA H 6.940 . 6.940 4.594 4.346 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 86 VAL QG 1 90 GLN QE 6.490 . 6.490 2.100 1.767 3.040 0.033 10 0 "[ . 1 . 2 . 3]" 1
938 1 86 VAL QG 1 103 GLN QE 6.160 . 6.160 2.557 1.943 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 86 VAL MG1 1 87 ASP H 4.920 . 4.920 2.451 2.048 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 86 VAL MG2 1 87 ASP H 4.920 . 4.920 3.569 3.340 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 86 VAL H 1 86 VAL HB 3.280 . 3.280 2.583 2.406 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 87 ASP HA 1 90 GLN H 3.950 . 3.950 3.801 3.625 3.966 0.016 12 0 "[ . 1 . 2 . 3]" 1
943 1 87 ASP QB 1 88 VAL HA 5.560 . 5.560 4.023 3.650 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 87 ASP QB 1 88 VAL H 4.850 . 4.850 2.760 2.527 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 87 ASP QB 1 90 GLN H 6.220 . 6.220 5.219 5.014 5.386 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 87 ASP H 1 88 VAL H 3.720 . 3.720 2.685 2.516 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 87 ASP H 1 89 ALA H 4.620 . 4.620 4.119 4.050 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 88 VAL HA 1 90 GLN H 4.620 . 4.620 4.424 4.108 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 88 VAL HA 1 91 LYS QB 3.440 . 3.440 2.583 2.389 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 88 VAL HA 1 91 LYS H 3.890 . 3.890 3.400 3.075 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 88 VAL HA 1 92 ASN H 4.340 . 4.340 4.029 3.822 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 88 VAL HB 1 89 ALA MB 6.530 . 6.530 5.260 3.935 5.407 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 88 VAL HB 1 89 ALA H 3.820 . 3.820 3.802 2.584 3.911 0.091 30 0 "[ . 1 . 2 . 3]" 1
954 1 88 VAL HB 1 92 ASN QD 6.210 . 6.210 4.689 4.366 5.124 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 88 VAL QG 1 89 ALA H 5.380 . 5.380 2.358 2.239 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 88 VAL QG 1 92 ASN QD 5.120 . 5.120 2.063 1.796 2.704 0.004 23 0 "[ . 1 . 2 . 3]" 1
957 1 88 VAL QG 1 92 ASN H 5.470 . 5.470 3.722 3.431 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 88 VAL H 1 88 VAL HB 3.510 . 3.510 2.593 2.486 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 88 VAL H 1 88 VAL QG 4.040 . 4.040 2.249 2.124 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 88 VAL H 1 88 VAL MG1 4.680 . 4.680 2.369 2.141 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 88 VAL H 1 88 VAL MG2 4.680 . 4.680 3.728 2.135 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 88 VAL H 1 89 ALA HA 5.210 . 5.210 5.080 5.021 5.221 0.011 13 0 "[ . 1 . 2 . 3]" 1
963 1 88 VAL H 1 89 ALA H 3.630 . 3.630 2.427 2.349 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 88 VAL H 1 90 GLN H 4.470 . 4.470 4.180 4.039 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 88 VAL H 1 91 LYS QB 4.950 . 4.950 4.861 4.579 5.019 0.069 11 0 "[ . 1 . 2 . 3]" 1
966 1 89 ALA HA 1 92 ASN QB 5.730 . 5.730 3.087 2.501 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 89 ALA HA 1 92 ASN QD 4.820 . 4.820 3.129 1.851 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 89 ALA HA 1 92 ASN HD21 4.560 . 4.560 3.257 2.284 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 89 ALA HA 1 92 ASN HD22 4.560 . 4.560 4.405 1.957 4.618 0.058 4 0 "[ . 1 . 2 . 3]" 1
970 1 89 ALA HA 1 92 ASN H 3.880 . 3.880 3.601 3.280 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 89 ALA HA 1 93 LEU H 4.380 . 4.380 3.905 3.722 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 89 ALA MB 1 90 GLN H 4.410 . 4.410 2.434 2.328 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 89 ALA MB 1 93 LEU QB 5.160 . 5.160 3.854 3.652 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 89 ALA MB 1 93 LEU QD 7.270 . 7.270 3.929 3.696 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 89 ALA MB 1 115 VAL H 6.050 . 6.050 4.083 3.534 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 89 ALA MB 1 134 LEU QD 6.390 . 6.390 2.528 1.905 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 89 ALA MB 1 134 LEU MD1 5.960 . 5.960 3.200 2.138 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 89 ALA MB 1 134 LEU MD2 5.960 . 5.960 2.843 2.139 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 89 ALA H 1 90 GLN H 3.570 . 3.570 2.755 2.668 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 89 ALA H 1 91 LYS H 4.680 . 4.680 4.050 3.951 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 90 GLN HA 1 93 LEU QD 6.470 . 6.470 3.247 2.760 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 90 GLN HA 1 93 LEU H 4.140 . 4.140 3.533 3.232 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 90 GLN HA 1 94 ASN H 4.470 . 4.470 3.745 3.637 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 90 GLN HA 1 101 PHE QE 6.260 . 6.260 3.360 2.466 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 90 GLN QB 1 101 PHE QB 6.640 . 6.640 4.202 3.597 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 90 GLN QG 1 94 ASN H 6.220 . 6.220 5.314 4.875 5.778 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 90 GLN H 1 90 GLN HB3 3.680 . 3.680 3.067 2.506 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 90 GLN H 1 90 GLN HB2 3.680 . 3.680 3.091 2.355 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 90 GLN H 1 90 GLN QE 5.400 . 5.400 3.596 3.281 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 90 GLN H 1 90 GLN QG 4.330 . 4.330 2.267 2.124 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 90 GLN H 1 90 GLN HG3 4.020 . 4.020 2.936 2.243 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 90 GLN H 1 90 GLN HG2 4.020 . 4.020 2.859 2.148 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 90 GLN H 1 91 LYS HA 5.170 . 5.170 5.200 5.172 5.236 0.066 4 0 "[ . 1 . 2 . 3]" 1
994 1 90 GLN H 1 91 LYS H 3.510 . 3.510 2.608 2.555 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 90 GLN H 1 92 ASN H 4.760 . 4.760 4.345 4.129 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 90 GLN H 1 134 LEU QD 6.310 . 6.310 3.553 3.048 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 91 LYS HA 1 91 LYS HG3 3.640 . 3.640 2.878 2.445 3.703 0.063 9 0 "[ . 1 . 2 . 3]" 1
998 1 91 LYS HA 1 91 LYS HG2 3.640 . 3.640 3.043 2.358 3.696 0.056 18 0 "[ . 1 . 2 . 3]" 1
999 1 91 LYS HA 1 94 ASN HA 5.500 . 5.500 5.486 5.284 5.581 0.081 1 0 "[ . 1 . 2 . 3]" 1
1000 1 91 LYS HA 1 94 ASN HB3 3.760 . 3.760 2.871 2.589 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 91 LYS HA 1 94 ASN HB2 3.760 . 3.760 3.491 3.204 3.771 0.011 1 0 "[ . 1 . 2 . 3]" 1
1002 1 91 LYS HA 1 94 ASN H 3.850 . 3.850 3.611 3.485 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 91 LYS HA 1 95 VAL QG 6.910 . 6.910 4.006 3.228 5.188 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 91 LYS HA 1 95 VAL H 4.650 . 4.650 4.388 3.862 4.689 0.039 26 0 "[ . 1 . 2 . 3]" 1
1005 1 91 LYS QB 1 92 ASN HA 3.800 . 3.800 3.835 3.736 3.895 0.095 28 0 "[ . 1 . 2 . 3]" 1
1006 1 91 LYS QB 1 92 ASN H 3.400 . 3.400 2.397 2.109 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 91 LYS QD 1 92 ASN H 5.400 . 5.400 4.474 3.510 5.214 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 91 LYS HG3 1 92 ASN H 5.310 . 5.310 4.761 3.828 5.210 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 91 LYS HG2 1 92 ASN H 5.310 . 5.310 4.399 3.523 5.123 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 91 LYS H 1 91 LYS QB 2.840 . 2.840 2.219 2.029 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 91 LYS H 1 91 LYS HB3 3.630 . 3.630 3.065 2.506 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 91 LYS H 1 91 LYS HB2 3.630 . 3.630 2.317 2.092 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 91 LYS H 1 91 LYS QG 4.670 . 4.670 3.490 2.353 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 91 LYS H 1 91 LYS HG3 4.550 . 4.550 4.054 2.469 4.553 0.003 5 0 "[ . 1 . 2 . 3]" 1
1015 1 91 LYS H 1 91 LYS HG2 4.550 . 4.550 3.978 2.380 4.556 0.006 18 0 "[ . 1 . 2 . 3]" 1
1016 1 91 LYS H 1 92 ASN QB 6.220 . 6.220 4.760 4.549 5.261 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 91 LYS H 1 92 ASN QD 5.890 . 5.890 4.869 3.867 5.649 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 91 LYS H 1 92 ASN H 3.550 . 3.550 2.765 2.662 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 91 LYS H 1 93 LEU H 4.430 . 4.430 4.076 3.950 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 91 LYS H 1 94 ASN QB 5.990 . 5.990 4.634 4.480 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 91 LYS H 1 94 ASN H 4.600 . 4.600 4.576 4.524 4.632 0.032 23 0 "[ . 1 . 2 . 3]" 1
1022 1 92 ASN HA 1 95 VAL HB 4.110 . 4.110 3.339 2.916 4.149 0.039 28 0 "[ . 1 . 2 . 3]" 1
1023 1 92 ASN HA 1 95 VAL QG 4.950 . 4.950 2.883 2.010 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 92 ASN HA 1 95 VAL H 3.780 . 3.780 3.600 3.408 3.812 0.032 29 0 "[ . 1 . 2 . 3]" 1
1025 1 92 ASN HA 1 96 TYR H 4.950 . 4.950 4.752 4.456 4.989 0.039 30 0 "[ . 1 . 2 . 3]" 1
1026 1 92 ASN QB 1 93 LEU H 4.660 . 4.660 2.622 2.449 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 92 ASN QB 1 95 VAL QG 7.710 . 7.710 4.294 3.493 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 92 ASN HB3 1 93 LEU H 4.320 . 4.320 3.551 3.279 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 92 ASN HB2 1 93 LEU H 4.320 . 4.320 2.714 2.517 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 92 ASN H 1 92 ASN HB3 3.580 . 3.580 3.545 2.464 3.631 0.051 13 0 "[ . 1 . 2 . 3]" 1
1031 1 92 ASN H 1 92 ASN HB2 3.580 . 3.580 2.531 2.332 3.656 0.076 17 0 "[ . 1 . 2 . 3]" 1
1032 1 92 ASN H 1 92 ASN HD21 4.210 . 4.210 3.090 1.962 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 92 ASN H 1 92 ASN HD22 4.210 . 4.210 3.997 3.653 4.236 0.026 22 0 "[ . 1 . 2 . 3]" 1
1034 1 92 ASN H 1 93 LEU QB 4.860 . 4.860 4.324 4.201 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 92 ASN H 1 93 LEU H 3.660 . 3.660 2.617 2.541 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 92 ASN H 1 94 ASN H 4.260 . 4.260 4.094 3.933 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 93 LEU QB 1 94 ASN QB 5.950 . 5.950 4.015 3.888 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 93 LEU QB 1 94 ASN H 3.870 . 3.870 2.589 2.420 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 93 LEU QB 1 101 PHE QE 6.060 . 6.060 2.618 2.075 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 93 LEU QB 1 134 LEU QD 6.260 . 6.260 3.629 3.260 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 93 LEU HB3 1 94 ASN H 4.490 . 4.490 2.633 2.450 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 93 LEU HB2 1 94 ASN H 4.490 . 4.490 3.833 3.673 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 93 LEU QD 1 94 ASN H 6.310 . 6.310 3.803 3.358 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 93 LEU QD 1 96 TYR H 6.560 . 6.560 4.271 3.970 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 93 LEU QD 1 97 GLY QA 5.390 . 5.390 2.541 2.015 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 93 LEU QD 1 97 GLY H 6.650 . 6.650 3.883 3.094 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 93 LEU QD 1 98 PHE QD 8.530 . 8.530 2.897 1.858 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 93 LEU QD 1 98 PHE H 6.000 . 6.000 3.134 2.033 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 93 LEU QD 1 101 PHE QD 7.910 . 7.910 2.964 2.129 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 93 LEU QD 1 101 PHE QE 7.410 . 7.410 2.028 1.867 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 93 LEU QD 1 132 ILE MD 7.670 . 7.670 2.068 1.768 3.205 0.032 21 0 "[ . 1 . 2 . 3]" 1
1052 1 93 LEU MD1 1 94 ASN H 6.080 . 6.080 4.558 4.382 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 93 LEU MD1 1 101 PHE QE 7.020 . 7.020 3.323 2.066 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 93 LEU MD2 1 94 ASN H 6.080 . 6.080 4.138 3.451 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 93 LEU MD2 1 101 PHE QE 7.020 . 7.020 2.104 1.913 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 93 LEU HG 1 97 GLY QA 3.890 . 3.890 3.518 2.944 3.951 0.061 21 0 "[ . 1 . 2 . 3]" 1
1057 1 93 LEU H 1 93 LEU QB 3.320 . 3.320 2.200 2.136 2.262 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 93 LEU H 1 93 LEU HB3 3.830 . 3.830 2.541 2.425 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 93 LEU H 1 93 LEU HB2 3.830 . 3.830 2.422 2.264 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 93 LEU H 1 94 ASN H 3.660 . 3.660 2.637 2.542 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 93 LEU H 1 95 VAL H 4.780 . 4.780 4.209 4.114 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 93 LEU H 1 101 PHE QE 6.730 . 6.730 4.949 4.532 5.626 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 94 ASN HA 1 94 ASN QD 3.210 . 3.210 2.250 1.834 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 94 ASN HA 1 94 ASN HD21 3.900 . 3.900 2.277 1.841 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 94 ASN HA 1 94 ASN HD22 3.900 . 3.900 3.702 3.442 3.921 0.021 16 0 "[ . 1 . 2 . 3]" 1
1066 1 94 ASN HA 1 96 TYR H 4.390 . 4.390 4.221 3.948 4.392 0.002 8 0 "[ . 1 . 2 . 3]" 1
1067 1 94 ASN HA 1 97 GLY QA 4.510 . 4.510 4.159 3.848 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 94 ASN HA 1 97 GLY H 4.200 . 4.200 3.697 3.268 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 94 ASN HA 1 98 PHE H 3.710 . 3.710 2.988 2.560 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 94 ASN HA 1 99 THR MG 6.140 . 6.140 4.851 4.025 5.625 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 94 ASN HA 1 101 PHE QE 6.470 . 6.470 3.258 2.402 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 94 ASN QB 1 95 VAL H 4.440 . 4.440 2.567 2.374 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 94 ASN QB 1 96 TYR H 5.710 . 5.710 4.692 4.401 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 94 ASN QB 1 101 PHE QE 7.460 . 7.460 2.702 2.153 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 94 ASN HB3 1 95 VAL H 4.100 . 4.100 2.606 2.402 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 94 ASN HB2 1 95 VAL H 4.100 . 4.100 3.878 3.702 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 94 ASN QD 1 98 PHE H 4.750 . 4.750 4.210 3.642 4.785 0.035 4 0 "[ . 1 . 2 . 3]" 1
1078 1 94 ASN QD 1 99 THR HA 3.280 . 3.280 2.108 1.777 2.529 0.023 17 0 "[ . 1 . 2 . 3]" 1
1079 1 94 ASN QD 1 101 PHE QD 7.300 . 7.300 4.510 3.864 5.269 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 94 ASN QD 1 101 PHE QE 4.980 . 4.980 2.605 1.787 3.484 0.013 5 0 "[ . 1 . 2 . 3]" 1
1081 1 94 ASN HD21 1 99 THR HA 3.740 . 3.740 2.272 1.827 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 94 ASN HD21 1 99 THR MG 4.810 . 4.810 3.163 2.644 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 94 ASN HD21 1 101 PHE QE 5.730 . 5.730 2.687 1.794 3.664 0.006 5 0 "[ . 1 . 2 . 3]" 1
1084 1 94 ASN HD22 1 99 THR HA 3.740 . 3.740 2.557 2.100 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 94 ASN HD22 1 99 THR MG 4.810 . 4.810 2.308 1.825 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 94 ASN HD22 1 101 PHE QE 5.730 . 5.730 3.687 3.078 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 94 ASN H 1 94 ASN HB3 3.570 . 3.570 2.537 2.376 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 94 ASN H 1 94 ASN HB2 3.570 . 3.570 2.524 2.422 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 94 ASN H 1 94 ASN QD 4.440 . 4.440 4.328 4.198 4.442 0.002 5 0 "[ . 1 . 2 . 3]" 1
1090 1 94 ASN H 1 95 VAL HB 5.500 . 5.500 5.000 4.878 5.185 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 94 ASN H 1 95 VAL QG 6.560 . 6.560 4.037 3.903 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 94 ASN H 1 95 VAL H 3.730 . 3.730 2.728 2.651 2.802 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 94 ASN H 1 96 TYR H 4.660 . 4.660 4.168 3.972 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 94 ASN H 1 97 GLY QA 5.190 . 5.190 5.264 5.193 5.325 0.135 23 0 "[ . 1 . 2 . 3]" 1
1095 1 94 ASN H 1 98 PHE H 5.500 . 5.500 4.931 4.404 5.497 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 94 ASN H 1 101 PHE QE 6.220 . 6.220 3.825 3.598 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 95 VAL HA 1 97 GLY H 4.720 . 4.720 4.292 3.934 4.749 0.029 3 0 "[ . 1 . 2 . 3]" 1
1098 1 95 VAL HB 1 96 TYR H 4.240 . 4.240 3.113 2.639 4.257 0.017 14 0 "[ . 1 . 2 . 3]" 1
1099 1 95 VAL QG 1 96 TYR QD 8.350 . 8.350 3.205 2.675 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 95 VAL QG 1 96 TYR H 6.040 . 6.040 3.294 2.574 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 95 VAL MG1 1 96 TYR H 5.720 . 5.720 3.543 2.605 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 95 VAL MG2 1 96 TYR H 5.720 . 5.720 3.996 3.825 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 95 VAL H 1 95 VAL HB 3.120 . 3.120 2.539 2.465 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 95 VAL H 1 96 TYR H 3.450 . 3.450 2.656 2.494 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 96 TYR HB3 1 97 GLY H 5.300 . 5.300 4.245 3.805 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 96 TYR HB2 1 97 GLY H 5.300 . 5.300 3.617 2.653 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 96 TYR H 1 97 GLY QA 4.180 . 4.180 3.811 3.640 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 96 TYR H 1 97 GLY H 3.350 . 3.350 2.210 1.849 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 97 GLY QA 1 98 PHE HA 4.380 . 4.380 3.895 3.754 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 97 GLY QA 1 98 PHE QD 5.900 . 5.900 3.215 2.397 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 97 GLY QA 1 98 PHE QE 6.260 . 6.260 3.716 3.159 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 97 GLY QA 1 98 PHE H 3.040 . 3.040 2.159 2.076 2.240 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 97 GLY QA 1 132 ILE MD 5.690 . 5.690 4.837 3.813 5.736 0.046 20 0 "[ . 1 . 2 . 3]" 1
1114 1 97 GLY H 1 98 PHE H 3.950 . 3.950 3.283 2.935 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 98 PHE HA 1 99 THR MG 5.210 . 5.210 4.472 3.467 5.292 0.082 9 0 "[ . 1 . 2 . 3]" 1
1116 1 98 PHE HA 1 99 THR H 3.300 . 3.300 2.415 2.183 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 98 PHE HA 1 100 LYS H 4.440 . 4.440 4.032 3.557 4.464 0.024 28 0 "[ . 1 . 2 . 3]" 1
1118 1 98 PHE HA 1 101 PHE QE 7.620 . 7.620 5.595 5.092 6.102 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 98 PHE QB 1 99 THR H 4.300 . 4.300 2.336 2.038 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 98 PHE QB 1 100 LYS QG 5.020 . 5.020 4.060 2.240 5.060 0.040 14 0 "[ . 1 . 2 . 3]" 1
1121 1 98 PHE QB 1 100 LYS H 4.320 . 4.320 2.477 2.118 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 98 PHE QB 1 101 PHE QE 6.920 . 6.920 3.946 2.365 4.850 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 98 PHE QB 1 128 VAL HA 4.140 . 4.140 3.974 3.283 4.185 0.045 1 0 "[ . 1 . 2 . 3]" 1
1124 1 98 PHE QD 1 99 THR H 6.400 . 6.400 3.954 3.716 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 98 PHE QD 1 100 LYS H 6.540 . 6.540 4.456 4.223 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 98 PHE QD 1 101 PHE QE 9.180 . 9.180 4.575 3.232 5.708 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 98 PHE QD 1 126 VAL QG 8.770 . 8.770 3.833 3.403 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 98 PHE QD 1 128 VAL HA 5.800 . 5.800 2.114 1.883 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 98 PHE QD 1 128 VAL QG 8.240 . 8.240 3.133 2.311 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 98 PHE QD 1 129 ASP H 7.620 . 7.620 4.883 4.207 5.458 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 98 PHE QD 1 132 ILE MD 7.120 . 7.120 3.200 2.479 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 98 PHE QE 1 128 VAL HA 5.720 . 5.720 2.210 1.978 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 98 PHE QE 1 129 ASP H 7.620 . 7.620 4.954 4.587 5.500 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 98 PHE QE 1 131 VAL HA 7.620 . 7.620 6.445 5.979 6.990 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 98 PHE H 1 98 PHE QB 3.390 . 3.390 2.672 2.458 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 98 PHE H 1 98 PHE QE 6.420 . 6.420 4.689 4.347 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 98 PHE H 1 99 THR HA 4.890 . 4.890 4.823 4.606 4.963 0.073 23 0 "[ . 1 . 2 . 3]" 1
1138 1 98 PHE H 1 99 THR MG 6.030 . 6.030 5.610 4.854 6.113 0.083 21 0 "[ . 1 . 2 . 3]" 1
1139 1 98 PHE H 1 99 THR H 4.570 . 4.570 4.385 4.257 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 98 PHE H 1 101 PHE QE 6.280 . 6.280 3.987 3.323 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 99 THR HA 1 101 PHE QE 5.580 . 5.580 3.142 2.468 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 99 THR MG 1 100 LYS H 5.300 . 5.300 4.183 3.980 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 99 THR MG 1 101 PHE QE 7.340 . 7.340 4.321 3.160 5.661 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 99 THR H 1 99 THR MG 4.710 . 4.710 3.321 2.620 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 99 THR H 1 100 LYS QB 5.340 . 5.340 4.164 3.906 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 99 THR H 1 100 LYS QG 5.260 . 5.260 3.505 2.872 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 99 THR H 1 100 LYS H 3.150 . 3.150 2.151 1.916 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 99 THR H 1 101 PHE QE 7.010 . 7.010 5.117 4.590 5.727 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 100 LYS HA 1 101 PHE H 2.860 . 2.860 2.133 2.027 2.209 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 100 LYS QB 1 101 PHE H 4.400 . 4.400 3.266 2.745 3.411 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 100 LYS QB 1 131 VAL HA 4.800 . 4.800 2.256 1.913 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 100 LYS QB 1 131 VAL QG 6.560 . 6.560 1.913 1.824 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 100 LYS QB 1 132 ILE H 5.040 . 5.040 3.520 3.121 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 100 LYS HB3 1 131 VAL HA 4.520 . 4.520 3.068 2.299 4.556 0.036 11 0 "[ . 1 . 2 . 3]" 1
1155 1 100 LYS HB2 1 131 VAL HA 4.520 . 4.520 2.333 1.953 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 100 LYS H 1 100 LYS HB3 3.870 . 3.870 3.644 3.145 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 100 LYS H 1 100 LYS HB2 3.870 . 3.870 2.658 2.439 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 100 LYS H 1 100 LYS QG 4.420 . 4.420 2.640 1.891 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 100 LYS H 1 100 LYS HG3 4.190 . 4.190 3.347 2.446 4.197 0.007 3 0 "[ . 1 . 2 . 3]" 1
1160 1 100 LYS H 1 100 LYS HG2 4.190 . 4.190 3.225 1.913 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 100 LYS H 1 101 PHE QD 6.850 . 6.850 4.565 4.138 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 100 LYS H 1 101 PHE QE 6.470 . 6.470 4.659 4.282 5.305 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 100 LYS H 1 101 PHE H 4.360 . 4.360 4.298 4.229 4.396 0.036 14 0 "[ . 1 . 2 . 3]" 1
1164 1 100 LYS H 1 131 VAL HA 4.730 . 4.730 4.178 3.461 4.736 0.006 11 0 "[ . 1 . 2 . 3]" 1
1165 1 100 LYS H 1 131 VAL QG 6.500 . 6.500 4.319 3.924 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 100 LYS H 1 131 VAL MG1 6.080 . 6.080 4.731 4.278 5.267 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 100 LYS H 1 131 VAL MG2 6.080 . 6.080 5.076 4.265 6.182 0.102 13 0 "[ . 1 . 2 . 3]" 1
1168 1 100 LYS H 1 132 ILE MG 6.320 . 6.320 3.963 3.667 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 101 PHE HA 1 102 SER HA 4.610 . 4.610 4.411 4.347 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 101 PHE HA 1 102 SER H 3.180 . 3.180 2.175 2.105 2.236 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 101 PHE HA 1 132 ILE MG 5.180 . 5.180 2.621 2.318 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 101 PHE HA 1 132 ILE H 3.900 . 3.900 3.008 2.736 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 101 PHE HA 1 134 LEU H 4.930 . 4.930 4.922 4.721 4.991 0.061 2 0 "[ . 1 . 2 . 3]" 1
1174 1 101 PHE QB 1 102 SER H 4.280 . 4.280 2.719 2.554 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 101 PHE HB3 1 102 SER H 3.890 . 3.890 2.784 2.598 3.138 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 101 PHE HB2 1 102 SER H 3.890 . 3.890 3.828 3.646 3.928 0.038 21 0 "[ . 1 . 2 . 3]" 1
1177 1 101 PHE QD 1 102 SER H 6.370 . 6.370 3.897 3.454 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 101 PHE QD 1 132 ILE MD 7.880 . 7.880 4.406 3.789 5.632 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 101 PHE QD 1 132 ILE MG 7.010 . 7.010 2.374 1.953 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 101 PHE QE 1 132 ILE MD 7.670 . 7.670 4.273 3.097 5.892 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 101 PHE H 1 101 PHE HB3 3.850 . 3.850 3.762 3.661 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 101 PHE H 1 101 PHE HB2 3.850 . 3.850 2.650 2.505 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 101 PHE H 1 101 PHE QE 7.050 . 7.050 4.913 4.565 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 101 PHE H 1 102 SER H 4.630 . 4.630 4.356 4.260 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 101 PHE H 1 131 VAL QG 7.110 . 7.110 3.336 2.993 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 101 PHE H 1 132 ILE MG 6.530 . 6.530 4.634 4.315 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 102 SER HA 1 103 GLN H 3.080 . 3.080 2.377 2.279 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 102 SER QB 1 103 GLN H 4.220 . 4.220 2.808 2.516 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 102 SER H 1 131 VAL QG 6.270 . 6.270 3.191 2.659 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 102 SER H 1 132 ILE MG 5.380 . 5.380 3.650 3.368 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 102 SER H 1 132 ILE H 4.910 . 4.910 4.206 3.833 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 102 SER H 1 133 GLU HA 3.260 . 3.260 2.612 2.146 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 102 SER H 1 133 GLU QG 5.020 . 5.020 4.492 3.932 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 102 SER H 1 134 LEU H 4.120 . 4.120 3.281 3.071 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 103 GLN HA 1 103 GLN HG3 4.200 . 4.200 3.341 2.498 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 103 GLN HA 1 103 GLN HG2 4.200 . 4.200 2.898 2.433 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 103 GLN HA 1 104 ALA MB 5.040 . 5.040 3.926 3.829 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 103 GLN HA 1 104 ALA H 2.780 . 2.780 2.132 2.065 2.210 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 103 GLN HA 1 133 GLU HA 4.980 . 4.980 4.158 3.816 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 103 GLN HA 1 134 LEU H 3.500 . 3.500 2.814 2.556 3.078 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 103 GLN HA 1 136 VAL QG 6.490 . 6.490 3.638 3.059 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 103 GLN QB 1 104 ALA H 3.920 . 3.920 3.051 2.596 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 103 GLN QB 1 136 VAL QG 6.040 . 6.040 2.601 1.988 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 103 GLN QG 1 134 LEU H 5.600 . 5.600 4.299 3.249 5.214 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 103 GLN H 1 103 GLN QB 3.560 . 3.560 2.575 2.416 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 104 ALA HA 1 105 SER HA 4.710 . 4.710 4.333 4.263 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 104 ALA HA 1 105 SER QB 5.850 . 5.850 4.374 4.226 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 104 ALA HA 1 105 SER H 2.730 . 2.730 2.155 2.058 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 104 ALA MB 1 105 SER HA 5.790 . 5.790 4.287 4.141 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 104 ALA MB 1 105 SER H 4.250 . 4.250 2.987 2.705 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 104 ALA MB 1 119 ASN QB 5.540 . 5.540 4.288 3.727 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 104 ALA MB 1 119 ASN H 6.530 . 6.530 5.436 4.883 5.860 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 104 ALA MB 1 133 GLU QG 5.570 . 5.570 2.506 2.235 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 104 ALA MB 1 134 LEU H 5.890 . 5.890 4.522 4.150 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 104 ALA MB 1 135 GLN HA 5.480 . 5.480 2.653 1.980 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 104 ALA MB 1 135 GLN QE 4.850 . 4.850 2.889 1.780 3.774 0.020 14 0 "[ . 1 . 2 . 3]" 1
1217 1 104 ALA MB 1 135 GLN HE21 5.550 . 5.550 3.665 2.517 4.960 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 104 ALA MB 1 135 GLN HE22 5.550 . 5.550 3.287 1.796 4.793 0.004 14 0 "[ . 1 . 2 . 3]" 1
1219 1 104 ALA MB 1 136 VAL H 5.640 . 5.640 3.756 3.431 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 104 ALA H 1 105 SER HA 4.780 . 4.780 4.710 4.552 4.811 0.031 26 0 "[ . 1 . 2 . 3]" 1
1221 1 104 ALA H 1 133 GLU QG 4.320 . 4.320 3.388 3.152 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 104 ALA H 1 134 LEU H 4.370 . 4.370 3.812 3.500 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 104 ALA H 1 135 GLN HA 3.770 . 3.770 2.974 2.315 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 104 ALA H 1 135 GLN H 5.300 . 5.300 4.803 4.472 5.085 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 104 ALA H 1 136 VAL QG 5.660 . 5.660 3.106 2.792 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 104 ALA H 1 136 VAL H 3.980 . 3.980 3.240 2.910 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 105 SER HA 1 106 VAL H 2.780 . 2.780 2.134 2.050 2.215 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 105 SER HA 1 136 VAL HB 5.500 . 5.500 4.746 2.430 5.513 0.013 19 0 "[ . 1 . 2 . 3]" 1
1229 1 105 SER HA 1 136 VAL QG 5.570 . 5.570 2.588 2.105 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 105 SER HA 1 136 VAL H 3.930 . 3.930 3.291 2.841 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 105 SER HA 1 138 LYS QB 4.880 . 4.880 3.159 2.429 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 105 SER HA 1 138 LYS HB3 4.550 . 4.550 3.840 2.897 4.629 0.079 30 0 "[ . 1 . 2 . 3]" 1
1233 1 105 SER HA 1 138 LYS HB2 4.550 . 4.550 3.847 2.480 4.656 0.106 10 0 "[ . 1 . 2 . 3]" 1
1234 1 105 SER HA 1 138 LYS H 4.630 . 4.630 4.344 3.906 4.658 0.028 25 0 "[ . 1 . 2 . 3]" 1
1235 1 105 SER QB 1 106 VAL H 4.550 . 4.550 3.236 2.835 3.430 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 105 SER HB3 1 106 VAL H 4.190 . 4.190 3.542 2.915 4.209 0.019 8 0 "[ . 1 . 2 . 3]" 1
1237 1 105 SER HB2 1 106 VAL H 4.190 . 4.190 3.971 3.218 4.218 0.028 10 0 "[ . 1 . 2 . 3]" 1
1238 1 105 SER H 1 105 SER QB 3.850 . 3.850 2.505 2.285 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 105 SER H 1 106 VAL QG 5.540 . 5.540 4.175 3.900 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 105 SER H 1 106 VAL MG1 6.450 . 6.450 4.322 4.019 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 105 SER H 1 106 VAL MG2 6.450 . 6.450 5.522 5.270 5.726 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 105 SER H 1 136 VAL QG 7.510 . 7.510 4.157 3.404 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 106 VAL HA 1 107 ASP H 2.650 . 2.650 2.396 2.270 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 106 VAL HB 1 107 ASP H 2.820 . 2.820 2.502 2.322 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 106 VAL HB 1 116 THR MG 4.870 . 4.870 4.223 3.414 4.861 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 106 VAL QG 1 107 ASP H 4.270 . 4.270 3.175 3.062 3.312 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 106 VAL QG 1 116 THR MG 5.230 . 5.230 2.428 2.032 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 106 VAL QG 1 116 THR H 5.440 . 5.440 3.950 3.454 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 106 VAL QG 1 117 GLY H 5.760 . 5.760 4.554 3.808 5.279 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 106 VAL QG 1 135 GLN HA 4.380 . 4.380 3.167 2.875 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 106 VAL QG 1 135 GLN QE 4.680 . 4.680 3.825 2.998 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 106 VAL QG 1 136 VAL H 4.980 . 4.980 3.198 2.960 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 106 VAL QG 1 137 SER HA 4.840 . 4.840 2.450 1.977 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 106 VAL QG 1 138 LYS HA 6.050 . 6.050 5.293 4.619 5.590 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 106 VAL QG 1 138 LYS QB 5.880 . 5.880 4.130 3.787 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 106 VAL QG 1 138 LYS H 4.840 . 4.840 3.355 3.095 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 106 VAL MG1 1 107 ASP H 4.910 . 4.910 3.733 3.571 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 106 VAL MG1 1 116 THR MG 6.340 . 6.340 4.050 3.499 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
1259 1 106 VAL MG1 1 135 GLN HA 5.270 . 5.270 3.370 3.005 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 106 VAL MG2 1 107 ASP H 4.910 . 4.910 3.444 3.245 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 106 VAL MG2 1 116 THR MG 6.340 . 6.340 2.448 2.045 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 106 VAL MG2 1 135 GLN HA 5.270 . 5.270 3.902 3.318 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 106 VAL H 1 106 VAL HB 3.940 . 3.940 3.810 3.760 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 106 VAL H 1 106 VAL QG 3.820 . 3.820 2.128 2.059 2.219 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 106 VAL H 1 106 VAL MG1 4.420 . 4.420 2.897 2.766 3.012 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 106 VAL H 1 106 VAL MG2 4.420 . 4.420 2.190 2.103 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 106 VAL H 1 107 ASP H 4.680 . 4.680 4.427 4.363 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 106 VAL H 1 135 GLN HA 5.240 . 5.240 4.909 4.548 5.266 0.026 27 0 "[ . 1 . 2 . 3]" 1
1269 1 106 VAL H 1 136 VAL QG 6.970 . 6.970 3.623 3.278 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 106 VAL H 1 136 VAL H 4.290 . 4.290 3.807 3.537 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 106 VAL H 1 137 SER HA 4.330 . 4.330 3.311 2.799 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
1272 1 106 VAL H 1 138 LYS QB 4.620 . 4.620 3.141 2.701 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 106 VAL H 1 138 LYS QD 5.590 . 5.590 4.768 3.225 5.651 0.061 19 0 "[ . 1 . 2 . 3]" 1
1274 1 106 VAL H 1 138 LYS QG 5.470 . 5.470 4.565 3.051 5.552 0.082 20 0 "[ . 1 . 2 . 3]" 1
1275 1 106 VAL H 1 138 LYS H 3.540 . 3.540 3.088 2.872 3.366 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 107 ASP HA 1 108 SER H 2.530 . 2.530 2.069 1.931 2.181 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 107 ASP QB 1 108 SER H 4.330 . 4.330 3.093 2.642 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
1278 1 107 ASP HB3 1 108 SER H 4.310 . 4.310 3.826 2.684 4.326 0.016 14 0 "[ . 1 . 2 . 3]" 1
1279 1 107 ASP HB2 1 108 SER H 4.310 . 4.310 3.516 2.787 4.311 0.001 7 0 "[ . 1 . 2 . 3]" 1
1280 1 107 ASP H 1 107 ASP QB 3.700 . 3.700 2.528 2.204 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 107 ASP H 1 107 ASP HB3 3.650 . 3.650 2.924 2.328 3.661 0.011 22 0 "[ . 1 . 2 . 3]" 1
1282 1 107 ASP H 1 107 ASP HB2 3.650 . 3.650 3.204 2.388 3.680 0.030 17 0 "[ . 1 . 2 . 3]" 1
1283 1 107 ASP H 1 108 SER H 4.710 . 4.710 4.449 4.288 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 108 SER HA 1 109 PRO QG 5.210 . 5.210 3.882 3.730 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 108 SER HA 1 116 THR MG 5.630 . 5.630 4.800 3.759 5.655 0.025 20 0 "[ . 1 . 2 . 3]" 1
1286 1 108 SER QB 1 116 THR MG 6.040 . 6.040 4.857 2.247 6.088 0.048 11 0 "[ . 1 . 2 . 3]" 1
1287 1 108 SER QB 1 137 SER HA 5.320 . 5.320 3.487 2.483 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
1288 1 108 SER QB 1 138 LYS H 5.110 . 5.110 3.594 2.596 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 108 SER HB3 1 138 LYS H 5.040 . 5.040 4.217 2.901 5.164 0.124 16 0 "[ . 1 . 2 . 3]" 1
1290 1 108 SER HB2 1 138 LYS H 5.040 . 5.040 4.364 2.657 5.052 0.012 15 0 "[ . 1 . 2 . 3]" 1
1291 1 108 SER H 1 108 SER HB3 3.940 . 3.940 3.281 2.615 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 108 SER H 1 108 SER HB2 3.940 . 3.940 2.981 2.457 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
1293 1 108 SER H 1 109 PRO QD 5.350 . 5.350 4.145 3.530 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 108 SER H 1 137 SER QB 6.220 . 6.220 4.347 3.532 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 108 SER H 1 138 LYS H 4.310 . 4.310 3.589 2.869 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 109 PRO QB 1 110 ARG HA 4.470 . 4.470 4.107 3.786 4.509 0.039 17 0 "[ . 1 . 2 . 3]" 1
1297 1 109 PRO QB 1 110 ARG QG 4.480 . 4.480 3.205 2.457 4.579 0.099 13 0 "[ . 1 . 2 . 3]" 1
1298 1 109 PRO QB 1 110 ARG H 3.540 . 3.540 2.086 1.782 3.126 0.018 13 0 "[ . 1 . 2 . 3]" 1
1299 1 109 PRO QG 1 110 ARG H 4.790 . 4.790 3.097 1.926 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 110 ARG H 1 110 ARG QD 4.970 . 4.970 3.683 2.113 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 110 ARG H 1 110 ARG HD3 4.790 . 4.790 4.336 2.124 4.938 0.148 3 0 "[ . 1 . 2 . 3]" 1
1302 1 110 ARG H 1 110 ARG HD2 4.790 . 4.790 4.267 2.723 4.914 0.124 5 0 "[ . 1 . 2 . 3]" 1
1303 1 110 ARG H 1 110 ARG QG 4.200 . 4.200 2.808 2.212 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
1304 1 110 ARG H 1 111 PRO QD 5.050 . 5.050 2.149 1.751 4.065 0.049 29 0 "[ . 1 . 2 . 3]" 1
1305 1 111 PRO HA 1 112 ALA H 3.230 . 3.230 2.220 2.149 2.328 . 0 0 "[ . 1 . 2 . 3]" 1
1306 1 111 PRO HB3 1 112 ALA H 4.420 . 4.420 3.543 2.997 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 111 PRO HB2 1 112 ALA H 4.420 . 4.420 3.439 2.974 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 111 PRO QG 1 112 ALA H 5.790 . 5.790 4.594 4.407 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 112 ALA HA 1 113 GLY H 3.080 . 3.080 2.246 2.092 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 112 ALA HA 1 114 GLU H 4.250 . 4.250 3.435 3.010 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 112 ALA HA 1 137 SER HA 5.500 . 5.500 4.723 4.316 5.237 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 112 ALA HA 1 137 SER H 5.160 . 5.160 4.855 4.396 5.215 0.055 2 0 "[ . 1 . 2 . 3]" 1
1313 1 112 ALA MB 1 113 GLY H 4.290 . 4.290 2.931 2.156 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 112 ALA H 1 113 GLY H 4.460 . 4.460 4.062 3.076 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 113 GLY H 1 114 GLU H 3.780 . 3.780 2.514 1.870 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
1316 1 113 GLY H 1 137 SER HA 4.820 . 4.820 4.721 4.209 4.912 0.092 9 0 "[ . 1 . 2 . 3]" 1
1317 1 113 GLY H 1 137 SER H 4.390 . 4.390 3.845 3.441 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
1318 1 114 GLU HA 1 115 VAL H 3.110 . 3.110 2.203 2.132 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 114 GLU QB 1 115 VAL H 3.840 . 3.840 2.631 2.501 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 114 GLU QG 1 115 VAL H 4.620 . 4.620 3.867 3.641 4.647 0.027 20 0 "[ . 1 . 2 . 3]" 1
1321 1 114 GLU QG 1 116 THR HA 4.890 . 4.890 4.034 2.955 4.969 0.079 20 0 "[ . 1 . 2 . 3]" 1
1322 1 114 GLU QG 1 137 SER H 6.220 . 6.220 4.353 3.265 5.379 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 114 GLU H 1 114 GLU QB 3.350 . 3.350 2.742 2.487 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 114 GLU H 1 114 GLU HB3 3.870 . 3.870 2.871 2.596 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 114 GLU H 1 114 GLU HB2 3.870 . 3.870 3.618 2.534 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 114 GLU H 1 114 GLU QG 5.040 . 5.040 2.390 1.883 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 114 GLU H 1 115 VAL H 4.780 . 4.780 4.501 4.441 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 114 GLU H 1 137 SER H 4.980 . 4.980 4.364 3.370 5.089 0.109 21 0 "[ . 1 . 2 . 3]" 1
1329 1 115 VAL HA 1 116 THR H 3.290 . 3.290 2.106 2.059 2.166 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 115 VAL HB 1 117 GLY H 5.360 . 5.360 4.582 4.192 5.116 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 115 VAL QG 1 116 THR H 5.540 . 5.540 2.744 2.606 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 115 VAL QG 1 117 GLY H 5.320 . 5.320 2.128 1.844 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
1333 1 115 VAL QG 1 135 GLN H 5.750 . 5.750 3.103 2.735 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
1334 1 115 VAL QG 1 137 SER H 7.390 . 7.390 4.462 4.113 5.065 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 115 VAL H 1 115 VAL HB 3.120 . 3.120 2.561 2.345 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 115 VAL H 1 136 VAL QG 7.080 . 7.080 4.514 3.650 5.767 . 0 0 "[ . 1 . 2 . 3]" 1
1337 1 116 THR MG 1 117 GLY H 5.080 . 5.080 3.965 3.742 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 116 THR MG 1 137 SER QB 6.060 . 6.060 4.109 2.010 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
1339 1 116 THR MG 1 137 SER H 4.950 . 4.950 4.694 3.522 5.020 0.070 9 0 "[ . 1 . 2 . 3]" 1
1340 1 116 THR MG 1 138 LYS H 6.140 . 6.140 5.879 4.903 6.184 0.044 3 0 "[ . 1 . 2 . 3]" 1
1341 1 116 THR H 1 116 THR MG 4.650 . 4.650 3.634 2.636 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
1342 1 116 THR H 1 117 GLY QA 5.920 . 5.920 4.355 4.215 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
1343 1 116 THR H 1 117 GLY H 3.410 . 3.410 2.341 2.195 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
1344 1 116 THR H 1 135 GLN QG 6.220 . 6.220 5.389 4.837 5.935 . 0 0 "[ . 1 . 2 . 3]" 1
1345 1 116 THR H 1 135 GLN H 4.780 . 4.780 4.632 4.412 4.801 0.021 9 0 "[ . 1 . 2 . 3]" 1
1346 1 116 THR H 1 137 SER H 4.560 . 4.560 3.301 2.951 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
1347 1 117 GLY QA 1 135 GLN QB 5.110 . 5.110 3.359 3.030 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 117 GLY H 1 118 THR H 4.430 . 4.430 4.287 4.202 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 117 GLY H 1 135 GLN QB 4.400 . 4.400 2.603 2.185 3.149 . 0 0 "[ . 1 . 2 . 3]" 1
1350 1 117 GLY H 1 135 GLN QG 5.170 . 5.170 4.136 3.689 4.909 . 0 0 "[ . 1 . 2 . 3]" 1
1351 1 117 GLY H 1 135 GLN H 3.960 . 3.960 3.359 3.156 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
1352 1 118 THR HA 1 119 ASN HA 5.020 . 5.020 4.273 4.226 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
1353 1 118 THR HA 1 119 ASN H 3.100 . 3.100 2.382 2.343 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
1354 1 118 THR HA 1 134 LEU HA 4.200 . 4.200 2.428 2.022 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
1355 1 118 THR HA 1 135 GLN QB 4.900 . 4.900 3.828 3.312 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 118 THR HA 1 135 GLN QE 4.890 . 4.890 4.097 3.308 4.905 0.015 19 0 "[ . 1 . 2 . 3]" 1
1357 1 118 THR HA 1 135 GLN QG 5.090 . 5.090 2.600 2.111 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
1358 1 118 THR HA 1 135 GLN H 3.640 . 3.640 2.526 2.292 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 118 THR HB 1 119 ASN H 3.280 . 3.280 2.572 2.487 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
1360 1 118 THR HB 1 132 ILE QG 5.260 . 5.260 3.259 2.815 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
1361 1 118 THR HB 1 133 GLU H 4.710 . 4.710 4.570 4.185 4.763 0.053 1 0 "[ . 1 . 2 . 3]" 1
1362 1 118 THR HB 1 135 GLN H 5.420 . 5.420 5.004 4.719 5.425 0.005 29 0 "[ . 1 . 2 . 3]" 1
1363 1 118 THR HG1 1 119 ASN H 3.930 . 3.930 3.979 3.948 4.005 0.075 11 0 "[ . 1 . 2 . 3]" 1
1364 1 118 THR MG 1 119 ASN H 5.150 . 5.150 3.590 3.445 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
1365 1 118 THR MG 1 132 ILE MD 5.890 . 5.890 2.390 2.025 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
1366 1 118 THR MG 1 132 ILE QG 5.970 . 5.970 3.070 2.534 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
1367 1 118 THR MG 1 132 ILE HG12 5.890 . 5.890 3.254 2.863 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
1368 1 118 THR MG 1 133 GLU H 6.040 . 6.040 4.851 4.342 5.190 . 0 0 "[ . 1 . 2 . 3]" 1
1369 1 118 THR MG 1 135 GLN H 5.320 . 5.320 3.623 3.077 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
1370 1 118 THR H 1 118 THR HG1 3.950 . 3.950 2.968 2.626 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
1371 1 118 THR H 1 118 THR MG 4.710 . 4.710 3.054 2.875 3.261 . 0 0 "[ . 1 . 2 . 3]" 1
1372 1 118 THR H 1 119 ASN H 4.780 . 4.780 4.381 4.301 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
1373 1 118 THR H 1 135 GLN QG 5.100 . 5.100 3.824 3.161 5.126 0.026 25 0 "[ . 1 . 2 . 3]" 1
1374 1 119 ASN HA 1 133 GLU QG 4.340 . 4.340 4.348 4.057 4.408 0.068 21 0 "[ . 1 . 2 . 3]" 1
1375 1 119 ASN HA 1 135 GLN QE 4.150 . 4.150 2.429 1.912 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
1376 1 119 ASN HA 1 135 GLN HE21 4.740 . 4.740 2.661 1.981 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
1377 1 119 ASN HA 1 135 GLN HE22 4.740 . 4.740 3.106 2.109 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 119 ASN QB 1 133 GLU QB 3.720 . 3.720 1.990 1.800 2.522 0.000 17 0 "[ . 1 . 2 . 3]" 1
1379 1 119 ASN QB 1 133 GLU QG 4.320 . 4.320 2.543 2.108 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
1380 1 119 ASN QB 1 133 GLU H 4.090 . 4.090 3.149 2.508 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
1381 1 119 ASN QB 1 135 GLN QE 3.380 . 3.380 2.480 1.793 3.060 0.007 29 0 "[ . 1 . 2 . 3]" 1
1382 1 119 ASN HB3 1 135 GLN HE21 4.830 . 4.830 4.271 3.293 4.859 0.029 26 0 "[ . 1 . 2 . 3]" 1
1383 1 119 ASN HB3 1 135 GLN HE22 4.830 . 4.830 4.600 3.939 4.910 0.080 16 0 "[ . 1 . 2 . 3]" 1
1384 1 119 ASN HB2 1 135 GLN HE21 4.830 . 4.830 2.826 1.857 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
1385 1 119 ASN HB2 1 135 GLN HE22 4.830 . 4.830 3.008 2.429 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
1386 1 119 ASN H 1 119 ASN HB3 3.700 . 3.700 2.621 2.502 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
1387 1 119 ASN H 1 119 ASN HB2 3.700 . 3.700 2.676 2.536 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
1388 1 119 ASN H 1 120 PRO HD3 4.170 . 4.170 3.006 2.555 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
1389 1 119 ASN H 1 120 PRO HD2 4.170 . 4.170 2.833 2.055 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
1390 1 119 ASN H 1 132 ILE QG 5.480 . 5.480 3.905 3.516 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
1391 1 119 ASN H 1 133 GLU QB 3.930 . 3.930 3.206 2.945 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
1392 1 119 ASN H 1 133 GLU QG 3.760 . 3.760 3.403 3.118 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
1393 1 119 ASN H 1 133 GLU H 3.780 . 3.780 3.687 3.498 3.838 0.058 14 0 "[ . 1 . 2 . 3]" 1
1394 1 119 ASN H 1 135 GLN QB 5.340 . 5.340 5.038 4.673 5.369 0.029 23 0 "[ . 1 . 2 . 3]" 1
1395 1 119 ASN H 1 135 GLN QE 3.950 . 3.950 3.355 2.589 3.992 0.042 11 0 "[ . 1 . 2 . 3]" 1
1396 1 119 ASN H 1 135 GLN HE21 4.680 . 4.680 3.514 2.629 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
1397 1 119 ASN H 1 135 GLN HE22 4.680 . 4.680 4.405 3.875 4.754 0.074 19 0 "[ . 1 . 2 . 3]" 1
1398 1 119 ASN H 1 135 GLN QG 4.670 . 4.670 3.129 2.695 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
1399 1 119 ASN H 1 135 GLN H 4.740 . 4.740 4.234 3.962 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
1400 1 121 PRO HA 1 122 ALA H 3.080 . 3.080 2.259 2.192 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
1401 1 121 PRO QB 1 122 ALA H 3.740 . 3.740 2.876 2.630 3.133 . 0 0 "[ . 1 . 2 . 3]" 1
1402 1 121 PRO QB 1 124 THR H 4.520 . 4.520 4.323 3.734 4.554 0.034 13 0 "[ . 1 . 2 . 3]" 1
1403 1 122 ALA HA 1 123 GLY H 3.290 . 3.290 2.167 2.126 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
1404 1 122 ALA HA 1 124 THR H 3.630 . 3.630 3.239 2.913 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
1405 1 122 ALA MB 1 123 GLY H 4.680 . 4.680 2.906 2.714 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
1406 1 122 ALA MB 1 124 THR H 5.520 . 5.520 4.340 4.130 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
1407 1 122 ALA H 1 123 GLY H 4.690 . 4.690 4.552 4.514 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
1408 1 122 ALA H 1 124 THR H 4.680 . 4.680 4.684 4.562 4.736 0.056 20 0 "[ . 1 . 2 . 3]" 1
1409 1 123 GLY H 1 124 THR H 3.570 . 3.570 2.510 2.271 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
1410 1 124 THR HA 1 125 THR H 2.800 . 2.800 2.175 2.123 2.245 . 0 0 "[ . 1 . 2 . 3]" 1
1411 1 124 THR MG 1 125 THR H 4.110 . 4.110 2.678 2.485 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
1412 1 124 THR H 1 124 THR HB 3.480 . 3.480 2.527 2.363 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
1413 1 124 THR H 1 125 THR H 4.650 . 4.650 4.515 4.394 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
1414 1 125 THR HA 1 126 VAL H 3.310 . 3.310 2.134 2.054 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
1415 1 125 THR HB 1 126 VAL H 4.420 . 4.420 4.176 4.058 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
1416 1 125 THR MG 1 126 VAL H 5.070 . 5.070 3.096 2.720 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
1417 1 125 THR H 1 125 THR HB 2.910 . 2.910 2.587 2.404 2.922 0.012 10 0 "[ . 1 . 2 . 3]" 1
1418 1 125 THR H 1 125 THR MG 4.790 . 4.790 3.410 1.990 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
1419 1 126 VAL HA 1 127 PRO QB 5.810 . 5.810 4.845 4.774 4.908 . 0 0 "[ . 1 . 2 . 3]" 1
1420 1 126 VAL HA 1 127 PRO QG 5.180 . 5.180 3.862 3.725 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
1421 1 126 VAL HB 1 127 PRO QD 4.890 . 4.890 2.191 1.998 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
1422 1 126 VAL HB 1 130 SER QB 3.940 . 3.940 3.277 2.492 3.971 0.031 28 0 "[ . 1 . 2 . 3]" 1
1423 1 126 VAL QG 1 127 PRO QD 6.820 . 6.820 2.815 1.922 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
1424 1 126 VAL QG 1 127 PRO QG 8.240 . 8.240 4.245 3.557 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
1425 1 126 VAL QG 1 128 VAL HA 6.170 . 6.170 4.260 3.867 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
1426 1 126 VAL QG 1 130 SER QB 5.790 . 5.790 3.231 2.028 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
1427 1 126 VAL QG 1 130 SER H 6.470 . 6.470 4.599 3.817 5.243 . 0 0 "[ . 1 . 2 . 3]" 1
1428 1 126 VAL QG 1 132 ILE QG 8.150 . 8.150 3.900 3.192 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
1429 1 127 PRO HA 1 129 ASP H 4.130 . 4.130 3.690 3.506 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
1430 1 127 PRO HA 1 130 SER QB 4.680 . 4.680 4.522 4.247 4.727 0.047 14 0 "[ . 1 . 2 . 3]" 1
1431 1 127 PRO QG 1 129 ASP H 5.520 . 5.520 4.726 4.227 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
1432 1 128 VAL HA 1 130 SER H 4.310 . 4.310 3.459 3.260 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
1433 1 128 VAL HB 1 129 ASP H 4.030 . 4.030 4.051 4.002 4.081 0.051 2 0 "[ . 1 . 2 . 3]" 1
1434 1 128 VAL HB 1 130 SER H 5.110 . 5.110 5.091 4.941 5.147 0.037 7 0 "[ . 1 . 2 . 3]" 1
1435 1 128 VAL QG 1 129 ASP HA 6.220 . 6.220 3.370 3.100 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
1436 1 128 VAL QG 1 129 ASP H 5.560 . 5.560 2.567 2.477 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
1437 1 128 VAL QG 1 130 SER H 6.860 . 6.860 4.106 4.004 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
1438 1 128 VAL MG1 1 129 ASP H 5.490 . 5.490 3.982 3.862 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
1439 1 128 VAL MG2 1 129 ASP H 5.490 . 5.490 2.599 2.504 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
1440 1 128 VAL H 1 128 VAL HB 3.830 . 3.830 3.636 3.589 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
1441 1 128 VAL H 1 129 ASP H 3.500 . 3.500 2.514 2.400 2.602 . 0 0 "[ . 1 . 2 . 3]" 1
1442 1 129 ASP HB3 1 130 SER H 4.520 . 4.520 3.935 3.130 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
1443 1 129 ASP HB2 1 130 SER H 4.520 . 4.520 4.119 3.474 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
1444 1 129 ASP H 1 129 ASP HB3 3.750 . 3.750 2.841 2.276 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
1445 1 129 ASP H 1 129 ASP HB2 3.750 . 3.750 2.926 2.204 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
1446 1 129 ASP H 1 130 SER HA 5.080 . 5.080 4.896 4.729 5.078 . 0 0 "[ . 1 . 2 . 3]" 1
1447 1 129 ASP H 1 130 SER HB3 5.500 . 5.500 4.899 4.125 5.609 0.109 14 0 "[ . 1 . 2 . 3]" 1
1448 1 129 ASP H 1 130 SER HB2 5.500 . 5.500 4.439 4.198 5.606 0.106 19 0 "[ . 1 . 2 . 3]" 1
1449 1 129 ASP H 1 130 SER H 3.040 . 3.040 2.450 2.235 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
1450 1 130 SER HA 1 131 VAL H 3.220 . 3.220 2.391 2.191 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
1451 1 130 SER QB 1 131 VAL H 3.890 . 3.890 3.094 2.074 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
1452 1 130 SER HB3 1 131 VAL H 4.640 . 4.640 3.351 2.099 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
1453 1 130 SER HB2 1 131 VAL H 4.640 . 4.640 3.809 2.327 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
1454 1 130 SER H 1 130 SER QB 3.510 . 3.510 2.343 2.254 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
1455 1 130 SER H 1 131 VAL H 4.640 . 4.640 4.477 4.326 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
1456 1 131 VAL HA 1 132 ILE H 3.210 . 3.210 2.185 2.091 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
1457 1 131 VAL HB 1 132 ILE H 4.310 . 4.310 4.035 3.023 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
1458 1 131 VAL QG 1 132 ILE H 6.400 . 6.400 2.711 2.450 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
1459 1 131 VAL H 1 131 VAL HB 3.420 . 3.420 2.629 2.420 3.548 0.128 28 0 "[ . 1 . 2 . 3]" 1
1460 1 131 VAL H 1 132 ILE H 5.110 . 5.110 4.430 4.239 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
1461 1 132 ILE HA 1 132 ILE QG 3.670 . 3.670 2.493 2.358 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
1462 1 132 ILE HA 1 133 GLU QB 4.030 . 4.030 3.856 3.702 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
1463 1 132 ILE HA 1 133 GLU H 3.020 . 3.020 2.248 2.133 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
1464 1 132 ILE MD 1 133 GLU H 5.290 . 5.290 3.842 2.138 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
1465 1 132 ILE MG 1 134 LEU H 6.260 . 6.260 4.587 4.217 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
1466 1 132 ILE H 1 132 ILE HB 3.880 . 3.880 2.938 2.826 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
1467 1 132 ILE H 1 132 ILE MD 5.620 . 5.620 4.552 4.287 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
1468 1 132 ILE H 1 132 ILE MG 4.560 . 4.560 2.029 1.954 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
1469 1 132 ILE H 1 133 GLU H 4.830 . 4.830 4.527 4.439 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
1470 1 133 GLU HA 1 134 LEU HA 5.040 . 5.040 4.405 4.348 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
1471 1 133 GLU HA 1 134 LEU QB 5.430 . 5.430 3.966 3.751 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
1472 1 133 GLU HA 1 134 LEU H 3.120 . 3.120 2.089 2.037 2.117 . 0 0 "[ . 1 . 2 . 3]" 1
1473 1 133 GLU QB 1 134 LEU H 3.990 . 3.990 3.753 3.651 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
1474 1 133 GLU QG 1 134 LEU H 3.530 . 3.530 2.875 2.584 3.106 . 0 0 "[ . 1 . 2 . 3]" 1
1475 1 133 GLU QG 1 135 GLN QE 4.060 . 4.060 2.758 1.840 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
1476 1 133 GLU H 1 133 GLU QB 3.350 . 3.350 2.166 2.080 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
1477 1 133 GLU H 1 133 GLU HB3 4.080 . 4.080 2.249 2.129 2.329 . 0 0 "[ . 1 . 2 . 3]" 1
1478 1 133 GLU H 1 133 GLU HB2 4.080 . 4.080 2.834 2.747 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
1479 1 133 GLU H 1 133 GLU QG 3.590 . 3.590 3.747 3.691 3.774 0.184 4 0 "[ . 1 . 2 . 3]" 1
1480 1 133 GLU H 1 133 GLU HG3 4.460 . 4.460 4.439 4.345 4.480 0.020 17 0 "[ . 1 . 2 . 3]" 1
1481 1 133 GLU H 1 133 GLU HG2 4.460 . 4.460 4.039 3.934 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
1482 1 133 GLU H 1 134 LEU H 4.530 . 4.530 4.272 4.202 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
1483 1 134 LEU HA 1 135 GLN HA 5.020 . 5.020 4.347 4.225 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
1484 1 134 LEU HA 1 135 GLN H 3.040 . 3.040 2.146 1.992 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
1485 1 134 LEU HA 1 136 VAL H 5.500 . 5.500 5.551 5.465 5.613 0.113 14 0 "[ . 1 . 2 . 3]" 1
1486 1 134 LEU QB 1 135 GLN H 4.750 . 4.750 3.573 2.750 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
1487 1 134 LEU QB 1 136 VAL QG 8.130 . 8.130 3.583 2.514 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
1488 1 134 LEU HB3 1 135 GLN H 4.500 . 4.500 3.859 2.803 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
1489 1 134 LEU HB2 1 135 GLN H 4.500 . 4.500 4.290 3.980 4.507 0.007 16 0 "[ . 1 . 2 . 3]" 1
1490 1 134 LEU QD 1 135 GLN H 5.680 . 5.680 3.035 2.014 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
1491 1 134 LEU QD 1 136 VAL H 6.780 . 6.780 4.701 3.115 5.697 . 0 0 "[ . 1 . 2 . 3]" 1
1492 1 134 LEU MD1 1 135 GLN H 5.180 . 5.180 3.346 2.091 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
1493 1 134 LEU MD2 1 135 GLN H 5.180 . 5.180 4.194 2.374 4.892 . 0 0 "[ . 1 . 2 . 3]" 1
1494 1 134 LEU HG 1 135 GLN H 4.340 . 4.340 3.452 2.816 4.535 0.195 23 0 "[ . 1 . 2 . 3]" 1
1495 1 134 LEU H 1 134 LEU HB3 3.580 . 3.580 2.728 2.421 3.621 0.041 5 0 "[ . 1 . 2 . 3]" 1
1496 1 134 LEU H 1 134 LEU HB2 3.580 . 3.580 2.560 2.390 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
1497 1 134 LEU H 1 134 LEU MD1 5.600 . 5.600 3.840 2.268 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
1498 1 134 LEU H 1 134 LEU MD2 5.600 . 5.600 4.148 2.639 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
1499 1 134 LEU H 1 134 LEU HG 5.270 . 5.270 4.411 3.843 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
1500 1 134 LEU H 1 135 GLN H 4.700 . 4.700 4.414 4.289 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
1501 1 135 GLN HA 1 135 GLN HG3 3.990 . 3.990 3.652 2.826 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
1502 1 135 GLN HA 1 135 GLN HG2 3.990 . 3.990 3.085 2.510 3.370 . 0 0 "[ . 1 . 2 . 3]" 1
1503 1 135 GLN HA 1 136 VAL H 2.990 . 2.990 2.089 1.987 2.168 . 0 0 "[ . 1 . 2 . 3]" 1
1504 1 135 GLN QB 1 135 GLN QE 3.780 . 3.780 3.497 2.949 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
1505 1 135 GLN QB 1 136 VAL H 3.920 . 3.920 3.436 3.337 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
1506 1 135 GLN H 1 135 GLN QB 3.520 . 3.520 2.522 2.368 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
1507 1 135 GLN H 1 135 GLN QG 4.120 . 4.120 2.418 2.039 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
1508 1 135 GLN H 1 136 VAL H 4.390 . 4.390 4.189 4.071 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
1509 1 136 VAL HA 1 137 SER H 3.100 . 3.100 2.182 2.117 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
1510 1 136 VAL HB 1 137 SER H 4.330 . 4.330 3.640 2.902 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
1511 1 136 VAL QG 1 137 SER H 6.100 . 6.100 2.921 2.399 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
1512 1 136 VAL QG 1 138 LYS HA 6.820 . 6.820 3.859 3.053 4.947 . 0 0 "[ . 1 . 2 . 3]" 1
1513 1 136 VAL QG 1 138 LYS H 6.960 . 6.960 4.280 3.876 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
1514 1 136 VAL H 1 136 VAL HB 3.730 . 3.730 3.273 2.475 3.770 0.040 20 0 "[ . 1 . 2 . 3]" 1
1515 1 137 SER HA 1 138 LYS H 2.850 . 2.850 2.126 2.021 2.254 . 0 0 "[ . 1 . 2 . 3]" 1
1516 1 137 SER QB 1 138 LYS H 4.960 . 4.960 3.318 3.081 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
1517 1 137 SER H 1 138 LYS H 4.730 . 4.730 4.425 4.322 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
1518 1 138 LYS H 1 138 LYS QD 5.360 . 5.360 4.177 2.685 5.172 . 0 0 "[ . 1 . 2 . 3]" 1
1519 1 138 LYS H 1 138 LYS QG 4.750 . 4.750 3.345 1.935 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 90
_Distance_constraint_stats_list.Viol_count 311
_Distance_constraint_stats_list.Viol_total 221.967
_Distance_constraint_stats_list.Viol_max 0.136
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0238
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 8 ARG 0.330 0.033 4 0 "[ . 1 . 2 . 3]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 19 ALA 0.060 0.043 4 0 "[ . 1 . 2 . 3]"
1 20 GLU 0.035 0.026 14 0 "[ . 1 . 2 . 3]"
1 21 ALA 0.017 0.017 13 0 "[ . 1 . 2 . 3]"
1 22 VAL 0.142 0.039 6 0 "[ . 1 . 2 . 3]"
1 23 LYS 0.060 0.043 4 0 "[ . 1 . 2 . 3]"
1 24 LYS 0.347 0.046 25 0 "[ . 1 . 2 . 3]"
1 25 LEU 0.017 0.017 13 0 "[ . 1 . 2 . 3]"
1 26 THR 0.147 0.039 6 0 "[ . 1 . 2 . 3]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 28 ALA 0.312 0.046 25 0 "[ . 1 . 2 . 3]"
1 29 GLY 0.005 0.005 12 0 "[ . 1 . 2 . 3]"
1 32 ARG 0.011 0.011 22 0 "[ . 1 . 2 . 3]"
1 34 LYS 0.074 0.032 10 0 "[ . 1 . 2 . 3]"
1 36 ALA 0.432 0.048 12 0 "[ . 1 . 2 . 3]"
1 38 SER 0.038 0.017 14 0 "[ . 1 . 2 . 3]"
1 41 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 44 LEU 0.127 0.053 10 0 "[ . 1 . 2 . 3]"
1 47 LYS 0.127 0.053 10 0 "[ . 1 . 2 . 3]"
1 49 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 51 THR 0.272 0.046 8 0 "[ . 1 . 2 . 3]"
1 53 PRO 0.272 0.046 8 0 "[ . 1 . 2 . 3]"
1 59 SER 0.330 0.033 4 0 "[ . 1 . 2 . 3]"
1 60 ALA 0.005 0.005 6 0 "[ . 1 . 2 . 3]"
1 63 ASN 0.005 0.005 6 0 "[ . 1 . 2 . 3]"
1 65 VAL 0.085 0.032 10 0 "[ . 1 . 2 . 3]"
1 67 ILE 0.057 0.020 17 0 "[ . 1 . 2 . 3]"
1 68 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 VAL 0.379 0.048 12 0 "[ . 1 . 2 . 3]"
1 71 SER 0.034 0.017 14 0 "[ . 1 . 2 . 3]"
1 76 LYS 0.020 0.020 2 0 "[ . 1 . 2 . 3]"
1 78 ILE 0.114 0.046 10 0 "[ . 1 . 2 . 3]"
1 85 THR 0.184 0.033 8 0 "[ . 1 . 2 . 3]"
1 86 VAL 0.095 0.020 8 0 "[ . 1 . 2 . 3]"
1 87 ASP 0.505 0.064 23 0 "[ . 1 . 2 . 3]"
1 88 VAL 0.001 0.001 2 0 "[ . 1 . 2 . 3]"
1 89 ALA 0.222 0.033 8 0 "[ . 1 . 2 . 3]"
1 90 GLN 0.113 0.020 8 0 "[ . 1 . 2 . 3]"
1 91 LYS 0.505 0.064 23 0 "[ . 1 . 2 . 3]"
1 92 ASN 0.001 0.001 2 0 "[ . 1 . 2 . 3]"
1 93 LEU 2.541 0.136 14 0 "[ . 1 . 2 . 3]"
1 94 ASN 0.018 0.016 27 0 "[ . 1 . 2 . 3]"
1 96 TYR 2.503 0.136 14 0 "[ . 1 . 2 . 3]"
1 100 LYS 0.028 0.017 2 0 "[ . 1 . 2 . 3]"
1 102 SER 0.646 0.057 14 0 "[ . 1 . 2 . 3]"
1 104 ALA 0.109 0.023 7 0 "[ . 1 . 2 . 3]"
1 106 VAL 0.227 0.051 6 0 "[ . 1 . 2 . 3]"
1 116 THR 0.028 0.024 1 0 "[ . 1 . 2 . 3]"
1 117 GLY 0.175 0.034 4 0 "[ . 1 . 2 . 3]"
1 118 THR 0.634 0.053 18 0 "[ . 1 . 2 . 3]"
1 119 ASN 0.067 0.036 12 0 "[ . 1 . 2 . 3]"
1 120 PRO 0.634 0.053 18 0 "[ . 1 . 2 . 3]"
1 121 PRO 0.148 0.039 21 0 "[ . 1 . 2 . 3]"
1 124 THR 0.262 0.046 10 0 "[ . 1 . 2 . 3]"
1 126 VAL 0.020 0.020 2 0 "[ . 1 . 2 . 3]"
1 127 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 130 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 132 ILE 0.059 0.017 2 0 "[ . 1 . 2 . 3]"
1 133 GLU 0.067 0.036 12 0 "[ . 1 . 2 . 3]"
1 134 LEU 0.667 0.057 14 0 "[ . 1 . 2 . 3]"
1 135 GLN 0.203 0.034 4 0 "[ . 1 . 2 . 3]"
1 136 VAL 0.068 0.023 7 0 "[ . 1 . 2 . 3]"
1 138 LYS 0.215 0.051 6 0 "[ . 1 . 2 . 3]"
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 8 ARG H 1 59 SER O 2.300 . 2.300 1.826 1.770 1.969 0.030 24 0 "[ . 1 . 2 . 3]" 2
2 1 8 ARG N 1 59 SER O 3.300 . 3.300 2.770 2.719 2.910 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 13 VAL O 1 16 LEU H 2.300 . 2.300 1.989 1.857 2.156 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 13 VAL O 1 16 LEU N 3.300 . 3.300 2.903 2.784 2.995 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 18 TYR O 1 22 VAL H 2.300 . 2.300 1.978 1.865 2.086 . 0 0 "[ . 1 . 2 . 3]" 2
6 1 18 TYR O 1 22 VAL N 3.300 . 3.300 2.940 2.818 3.050 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 19 ALA O 1 23 LYS H 2.300 . 2.300 2.077 1.823 2.343 0.043 4 0 "[ . 1 . 2 . 3]" 2
8 1 19 ALA O 1 23 LYS N 3.300 . 3.300 3.032 2.794 3.294 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 20 GLU O 1 24 LYS H 2.300 . 2.300 2.155 2.024 2.326 0.026 14 0 "[ . 1 . 2 . 3]" 2
10 1 20 GLU O 1 24 LYS N 3.300 . 3.300 3.104 2.970 3.271 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 21 ALA O 1 25 LEU H 2.300 . 2.300 1.880 1.783 2.084 0.017 13 0 "[ . 1 . 2 . 3]" 2
12 1 21 ALA O 1 25 LEU N 3.300 . 3.300 2.816 2.733 2.997 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 22 VAL O 1 26 THR H 2.300 . 2.300 1.823 1.761 1.908 0.039 6 0 "[ . 1 . 2 . 3]" 2
14 1 22 VAL O 1 26 THR N 3.300 . 3.300 2.742 2.689 2.832 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 23 LYS O 1 27 ALA H 2.300 . 2.300 1.982 1.840 2.149 . 0 0 "[ . 1 . 2 . 3]" 2
16 1 23 LYS O 1 27 ALA N 3.300 . 3.300 2.900 2.746 3.044 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 24 LYS O 1 28 ALA H 2.300 . 2.300 2.298 2.188 2.346 0.046 25 0 "[ . 1 . 2 . 3]" 2
18 1 24 LYS O 1 28 ALA N 3.300 . 3.300 2.904 2.796 2.983 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 26 THR O 1 29 GLY H 2.300 . 2.300 2.200 2.115 2.305 0.005 12 0 "[ . 1 . 2 . 3]" 2
20 1 26 THR O 1 29 GLY N 3.300 . 3.300 3.068 2.956 3.190 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 34 LYS H 1 65 VAL O 2.300 . 2.300 1.848 1.768 2.006 0.032 10 0 "[ . 1 . 2 . 3]" 2
22 1 34 LYS N 1 65 VAL O 3.300 . 3.300 2.766 2.696 2.874 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 36 ALA H 1 67 ILE O 2.300 . 2.300 1.863 1.780 1.987 0.020 17 0 "[ . 1 . 2 . 3]" 2
24 1 36 ALA N 1 67 ILE O 3.300 . 3.300 2.828 2.706 2.950 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 38 SER H 1 69 VAL O 2.300 . 2.300 2.028 1.806 2.304 0.004 2 0 "[ . 1 . 2 . 3]" 2
26 1 38 SER N 1 69 VAL O 3.300 . 3.300 2.971 2.773 3.234 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 41 THR O 1 44 LEU H 2.300 . 2.300 1.927 1.846 2.017 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 41 THR O 1 44 LEU N 3.300 . 3.300 2.864 2.795 2.960 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 44 LEU O 1 47 LYS H 2.300 . 2.300 2.147 1.997 2.353 0.053 10 0 "[ . 1 . 2 . 3]" 2
30 1 44 LEU O 1 47 LYS N 3.300 . 3.300 3.047 2.901 3.307 0.007 10 0 "[ . 1 . 2 . 3]" 2
31 1 49 ILE H 1 68 ILE O 2.300 . 2.300 2.092 1.867 2.233 . 0 0 "[ . 1 . 2 . 3]" 2
32 1 49 ILE N 1 68 ILE O 3.300 . 3.300 3.015 2.782 3.193 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 51 THR HG1 1 53 PRO O 2.300 . 2.300 1.820 1.754 1.981 0.046 8 0 "[ . 1 . 2 . 3]" 2
34 1 51 THR OG1 1 53 PRO O 3.300 . 3.300 2.781 2.714 2.925 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 8 ARG O 1 59 SER H 2.300 . 2.300 1.835 1.767 2.030 0.033 4 0 "[ . 1 . 2 . 3]" 2
36 1 8 ARG O 1 59 SER N 3.300 . 3.300 2.769 2.713 2.903 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 60 ALA O 1 63 ASN H 2.300 . 2.300 1.982 1.844 2.305 0.005 6 0 "[ . 1 . 2 . 3]" 2
38 1 60 ALA O 1 63 ASN N 3.300 . 3.300 2.893 2.787 3.104 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 32 ARG O 1 65 VAL H 2.300 . 2.300 1.947 1.807 2.311 0.011 22 0 "[ . 1 . 2 . 3]" 2
40 1 32 ARG O 1 65 VAL N 3.300 . 3.300 2.917 2.780 3.259 . 0 0 "[ . 1 . 2 . 3]" 2
41 1 36 ALA O 1 69 VAL H 2.300 . 2.300 1.804 1.752 1.891 0.048 12 0 "[ . 1 . 2 . 3]" 2
42 1 36 ALA O 1 69 VAL N 3.300 . 3.300 2.775 2.724 2.869 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 38 SER O 1 71 SER H 2.300 . 2.300 1.893 1.783 2.166 0.017 14 0 "[ . 1 . 2 . 3]" 2
44 1 38 SER O 1 71 SER N 3.300 . 3.300 2.857 2.751 3.120 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 76 LYS H 1 126 VAL O 2.300 . 2.300 1.885 1.780 2.115 0.020 2 0 "[ . 1 . 2 . 3]" 2
46 1 76 LYS N 1 126 VAL O 3.300 . 3.300 2.843 2.753 3.065 . 0 0 "[ . 1 . 2 . 3]" 2
47 1 78 ILE H 1 124 THR O 2.300 . 2.300 2.063 1.792 2.346 0.046 10 0 "[ . 1 . 2 . 3]" 2
48 1 78 ILE N 1 124 THR O 3.300 . 3.300 3.011 2.764 3.267 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 85 THR O 1 89 ALA H 2.300 . 2.300 1.845 1.767 1.993 0.033 8 0 "[ . 1 . 2 . 3]" 2
50 1 85 THR O 1 89 ALA N 3.300 . 3.300 2.788 2.718 2.933 . 0 0 "[ . 1 . 2 . 3]" 2
51 1 86 VAL O 1 90 GLN H 2.300 . 2.300 2.168 1.883 2.320 0.020 8 0 "[ . 1 . 2 . 3]" 2
52 1 86 VAL O 1 90 GLN N 3.300 . 3.300 3.114 2.844 3.268 . 0 0 "[ . 1 . 2 . 3]" 2
53 1 87 ASP O 1 91 LYS H 2.300 . 2.300 2.286 2.111 2.364 0.064 23 0 "[ . 1 . 2 . 3]" 2
54 1 87 ASP O 1 91 LYS N 3.300 . 3.300 3.191 3.032 3.281 . 0 0 "[ . 1 . 2 . 3]" 2
55 1 88 VAL O 1 92 ASN H 2.300 . 2.300 1.981 1.799 2.203 0.001 2 0 "[ . 1 . 2 . 3]" 2
56 1 88 VAL O 1 92 ASN N 3.300 . 3.300 2.946 2.780 3.163 . 0 0 "[ . 1 . 2 . 3]" 2
57 1 89 ALA O 1 93 LEU H 2.300 . 2.300 1.900 1.784 2.303 0.016 30 0 "[ . 1 . 2 . 3]" 2
58 1 89 ALA O 1 93 LEU N 3.300 . 3.300 2.844 2.723 3.230 . 0 0 "[ . 1 . 2 . 3]" 2
59 1 90 GLN O 1 94 ASN H 2.300 . 2.300 1.889 1.784 2.085 0.016 27 0 "[ . 1 . 2 . 3]" 2
60 1 90 GLN O 1 94 ASN N 3.300 . 3.300 2.782 2.704 2.928 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 93 LEU O 1 96 TYR H 2.300 . 2.300 2.383 2.341 2.436 0.136 14 0 "[ . 1 . 2 . 3]" 2
62 1 93 LEU O 1 96 TYR N 3.300 . 3.300 3.151 2.992 3.259 . 0 0 "[ . 1 . 2 . 3]" 2
63 1 102 SER H 1 132 ILE O 2.300 . 2.300 1.949 1.787 2.137 0.013 10 0 "[ . 1 . 2 . 3]" 2
64 1 102 SER N 1 132 ILE O 3.300 . 3.300 2.826 2.719 3.063 . 0 0 "[ . 1 . 2 . 3]" 2
65 1 104 ALA H 1 134 LEU O 2.300 . 2.300 1.879 1.784 2.114 0.016 7 0 "[ . 1 . 2 . 3]" 2
66 1 104 ALA N 1 134 LEU O 3.300 . 3.300 2.839 2.762 3.057 . 0 0 "[ . 1 . 2 . 3]" 2
67 1 106 VAL H 1 136 VAL O 2.300 . 2.300 1.962 1.793 2.279 0.007 2 0 "[ . 1 . 2 . 3]" 2
68 1 106 VAL N 1 136 VAL O 3.300 . 3.300 2.922 2.758 3.243 . 0 0 "[ . 1 . 2 . 3]" 2
69 1 116 THR H 1 135 GLN O 2.300 . 2.300 1.965 1.776 2.288 0.024 1 0 "[ . 1 . 2 . 3]" 2
70 1 116 THR N 1 135 GLN O 3.300 . 3.300 2.807 2.700 3.216 . 0 0 "[ . 1 . 2 . 3]" 2
71 1 118 THR HG1 1 120 PRO O 2.300 . 2.300 1.780 1.747 1.815 0.053 18 0 "[ . 1 . 2 . 3]" 2
72 1 118 THR OG1 1 120 PRO O 3.300 . 3.300 2.735 2.698 2.770 . 0 0 "[ . 1 . 2 . 3]" 2
73 1 119 ASN H 1 133 GLU O 2.300 . 2.300 1.886 1.764 2.077 0.036 12 0 "[ . 1 . 2 . 3]" 2
74 1 119 ASN N 1 133 GLU O 3.300 . 3.300 2.842 2.739 3.026 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 121 PRO O 1 124 THR H 2.300 . 2.300 2.222 2.072 2.339 0.039 21 0 "[ . 1 . 2 . 3]" 2
76 1 121 PRO O 1 124 THR N 3.300 . 3.300 3.121 2.995 3.243 . 0 0 "[ . 1 . 2 . 3]" 2
77 1 76 LYS O 1 126 VAL H 2.300 . 2.300 1.970 1.815 2.196 . 0 0 "[ . 1 . 2 . 3]" 2
78 1 76 LYS O 1 126 VAL N 3.300 . 3.300 2.913 2.774 3.119 . 0 0 "[ . 1 . 2 . 3]" 2
79 1 127 PRO O 1 130 SER H 2.300 . 2.300 2.042 1.928 2.150 . 0 0 "[ . 1 . 2 . 3]" 2
80 1 127 PRO O 1 130 SER N 3.300 . 3.300 2.954 2.861 3.073 . 0 0 "[ . 1 . 2 . 3]" 2
81 1 100 LYS O 1 132 ILE H 2.300 . 2.300 2.063 1.843 2.317 0.017 2 0 "[ . 1 . 2 . 3]" 2
82 1 100 LYS O 1 132 ILE N 3.300 . 3.300 3.021 2.819 3.280 . 0 0 "[ . 1 . 2 . 3]" 2
83 1 102 SER O 1 134 LEU H 2.300 . 2.300 1.791 1.743 1.975 0.057 14 0 "[ . 1 . 2 . 3]" 2
84 1 102 SER O 1 134 LEU N 3.300 . 3.300 2.767 2.714 2.915 . 0 0 "[ . 1 . 2 . 3]" 2
85 1 117 GLY O 1 135 GLN H 2.300 . 2.300 1.838 1.766 1.978 0.034 4 0 "[ . 1 . 2 . 3]" 2
86 1 117 GLY O 1 135 GLN N 3.300 . 3.300 2.775 2.709 2.889 . 0 0 "[ . 1 . 2 . 3]" 2
87 1 104 ALA O 1 136 VAL H 2.300 . 2.300 1.883 1.777 2.056 0.023 7 0 "[ . 1 . 2 . 3]" 2
88 1 104 ALA O 1 136 VAL N 3.300 . 3.300 2.832 2.740 2.988 . 0 0 "[ . 1 . 2 . 3]" 2
89 1 106 VAL O 1 138 LYS H 2.300 . 2.300 1.883 1.749 2.340 0.051 6 0 "[ . 1 . 2 . 3]" 2
90 1 106 VAL O 1 138 LYS N 3.300 . 3.300 2.828 2.692 3.307 0.007 4 0 "[ . 1 . 2 . 3]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 9:45:12 AM GMT (wattos1)