NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
605355 |
2n5g   |
6999 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n5g
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 1804
_Distance_constraint_stats_list.Viol_count 2289
_Distance_constraint_stats_list.Viol_total 5772.437
_Distance_constraint_stats_list.Viol_max 0.989
_Distance_constraint_stats_list.Viol_rms 0.0519
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.1261
_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 2 LYS 2.476 0.595 18 2 "[ . 1 .- + 2]"
1 3 LYS 8.249 0.644 17 4 "[* . * 1 .-+ 2]"
1 4 ARG 4.385 0.735 11 3 "[ . 1+ .-* 2]"
1 5 LEU 2.662 0.735 11 1 "[ . 1+ . 2]"
1 6 THR 0.346 0.091 11 0 "[ . 1 . 2]"
1 7 GLU 5.225 0.722 20 1 "[ . 1 . +]"
1 8 SER 4.594 0.430 6 0 "[ . 1 . 2]"
1 9 GLN 0.401 0.099 8 0 "[ . 1 . 2]"
1 10 PHE 0.080 0.080 11 0 "[ . 1 . 2]"
1 11 GLN 7.403 0.722 20 5 "[ - *1 .* * +]"
1 12 GLU 8.258 0.415 1 0 "[ . 1 . 2]"
1 13 ALA 2.727 0.355 2 0 "[ . 1 . 2]"
1 14 ILE 2.111 0.180 7 0 "[ . 1 . 2]"
1 15 GLN 5.328 0.665 1 3 "[+ * 1 . * 2]"
1 16 GLY 2.254 0.665 1 2 "[+ - 1 . 2]"
1 17 LEU 3.250 0.602 11 1 "[ . 1+ . 2]"
1 18 GLU 3.417 0.602 11 1 "[ . 1+ . 2]"
1 19 VAL 5.834 0.335 5 0 "[ . 1 . 2]"
1 20 GLY 1.917 0.239 10 0 "[ . 1 . 2]"
1 21 GLN 8.185 0.528 15 1 "[ . 1 + 2]"
1 22 GLN 4.380 0.528 15 1 "[ . 1 + 2]"
1 23 THR 1.564 0.205 4 0 "[ . 1 . 2]"
1 24 ILE 2.036 0.138 16 0 "[ . 1 . 2]"
1 25 GLU 2.231 0.580 12 2 "[ . - 1 + . 2]"
1 26 ILE 4.578 0.979 6 2 "[* .+ 1 . 2]"
1 27 ALA 0.850 0.152 6 0 "[ . 1 . 2]"
1 28 ARG 1.840 0.979 6 2 "[- .+ 1 . 2]"
1 29 GLY 4.865 0.946 15 3 "[ .* -1 + 2]"
1 30 VAL 0.007 0.007 20 0 "[ . 1 . 2]"
1 31 LEU 0.047 0.024 20 0 "[ . 1 . 2]"
1 32 VAL 0.028 0.028 14 0 "[ . 1 . 2]"
1 33 ASP 4.197 0.524 9 1 "[ . +1 . 2]"
1 34 GLY 1.073 0.122 6 0 "[ . 1 . 2]"
1 35 LYS 1.741 0.946 15 2 "[ .- 1 + 2]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 0.045 0.025 16 0 "[ . 1 . 2]"
1 38 ALA 0.020 0.020 16 0 "[ . 1 . 2]"
1 39 THR 1.394 0.282 11 0 "[ . 1 . 2]"
1 40 PHE 3.871 0.747 2 1 "[ + . 1 . 2]"
1 41 ALA 0.120 0.032 18 0 "[ . 1 . 2]"
1 42 THR 0.383 0.070 19 0 "[ . 1 . 2]"
1 43 SER 1.391 0.747 2 1 "[ + . 1 . 2]"
1 44 LEU 0.773 0.340 4 0 "[ . 1 . 2]"
1 45 GLY 0.358 0.086 11 0 "[ . 1 . 2]"
1 46 LEU 2.470 0.869 1 2 "[+ .- 1 . 2]"
1 47 THR 0.397 0.063 15 0 "[ . 1 . 2]"
1 48 ARG 3.739 0.880 3 4 "[ + . * 1- . * 2]"
1 49 GLY 4.265 0.938 12 5 "[ * . - 1*+ . * 2]"
1 50 ALA 0.400 0.150 16 0 "[ . 1 . 2]"
1 51 VAL 0.773 0.294 12 0 "[ . 1 . 2]"
1 52 SER 13.408 0.938 12 5 "[ - . * 1*+ . * 2]"
1 53 GLN 4.640 0.795 9 4 "[* .- +* . 2]"
1 54 ALA 2.312 0.181 7 0 "[ . 1 . 2]"
1 55 VAL 1.719 0.138 8 0 "[ . 1 . 2]"
1 56 HIS 2.661 0.795 9 2 "[- . +1 . 2]"
1 57 ARG 3.812 0.602 11 2 "[ - . 1+ . 2]"
1 58 VAL 2.570 0.356 6 0 "[ . 1 . 2]"
1 59 TRP 5.436 0.181 7 0 "[ . 1 . 2]"
1 60 ALA 0.990 0.151 5 0 "[ . 1 . 2]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.096 0.021 4 0 "[ . 1 . 2]"
1 64 ASP 0.248 0.114 11 0 "[ . 1 . 2]"
1 65 LYS 1.919 0.591 8 1 "[ . + 1 . 2]"
1 66 ASN 3.224 0.591 8 1 "[ . + 1 . 2]"
1 67 LEU 0.946 0.213 1 0 "[ . 1 . 2]"
1 68 PRO 1.061 0.437 18 0 "[ . 1 . 2]"
1 69 GLU 4.713 0.543 15 1 "[ . 1 + 2]"
1 70 GLY 0.777 0.293 14 0 "[ . 1 . 2]"
1 71 TYR 0.977 0.437 18 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 2.078 0.758 15 1 "[ . 1 + 2]"
1 74 VAL 0.886 0.120 8 0 "[ . 1 . 2]"
1 75 THR 0.124 0.041 10 0 "[ . 1 . 2]"
1 76 ALA 0.124 0.041 10 0 "[ . 1 . 2]"
1 77 VAL 2.068 0.798 7 1 "[ . + 1 . 2]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 1.185 0.146 11 0 "[ . 1 . 2]"
1 81 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 0.178 0.057 9 0 "[ . 1 . 2]"
1 84 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 1.381 0.146 2 0 "[ . 1 . 2]"
1 87 ARG 0.943 0.204 12 0 "[ . 1 . 2]"
1 88 LYS 0.513 0.181 9 0 "[ . 1 . 2]"
1 89 TRP 2.069 0.495 16 0 "[ . 1 . 2]"
1 90 GLU 6.414 0.592 18 3 "[ . 1 * - + 2]"
1 91 ALA 1.748 0.463 16 0 "[ . 1 . 2]"
1 92 ASP 7.315 0.592 18 3 "[ . 1 * - + 2]"
1 93 ALA 0.038 0.023 15 0 "[ . 1 . 2]"
1 94 LYS 0.960 0.160 4 0 "[ . 1 . 2]"
1 95 LYS 4.259 0.874 18 1 "[ . 1 . + 2]"
1 96 LYS 1.932 0.353 8 0 "[ . 1 . 2]"
1 97 GLN 5.551 0.940 6 2 "[ .+ - . 2]"
1 98 GLU 4.893 0.481 4 0 "[ . 1 . 2]"
1 99 THR 4.495 0.222 6 0 "[ . 1 . 2]"
1 100 LYS 5.875 0.874 18 3 "[ . - 1 . + *]"
1 101 ARG 10.100 0.844 19 6 "[ * . - *1 . **+2]"
2 2 LYS 3.738 0.463 7 0 "[ . 1 . 2]"
2 3 LYS 7.308 0.598 4 1 "[ +. 1 . 2]"
2 4 ARG 3.222 0.849 18 1 "[ . 1 . + 2]"
2 5 LEU 3.517 0.849 18 1 "[ . 1 . + 2]"
2 6 THR 0.588 0.159 9 0 "[ . 1 . 2]"
2 7 GLU 5.676 0.478 8 0 "[ . 1 . 2]"
2 8 SER 5.199 0.478 8 0 "[ . 1 . 2]"
2 9 GLN 0.410 0.084 6 0 "[ . 1 . 2]"
2 10 PHE 0.296 0.179 1 0 "[ . 1 . 2]"
2 11 GLN 6.867 0.701 11 3 "[ . *1+ .- 2]"
2 12 GLU 4.407 0.639 3 2 "[ + . 1 -. 2]"
2 13 ALA 1.522 0.257 14 0 "[ . 1 . 2]"
2 14 ILE 3.707 0.701 11 1 "[ . 1+ . 2]"
2 15 GLN 6.146 0.828 1 4 "[+ * 1 . - *]"
2 16 GLY 3.181 0.828 1 2 "[+ . 1 . -]"
2 17 LEU 5.106 0.841 13 2 "[ . 1 + - 2]"
2 18 GLU 5.439 0.841 13 2 "[ . 1 + - 2]"
2 19 VAL 5.835 0.380 5 0 "[ . 1 . 2]"
2 20 GLY 2.161 0.244 10 0 "[ . 1 . 2]"
2 21 GLN 8.326 0.380 5 0 "[ . 1 . 2]"
2 22 GLN 4.447 0.376 15 0 "[ . 1 . 2]"
2 23 THR 1.907 0.191 13 0 "[ . 1 . 2]"
2 24 ILE 1.865 0.153 4 0 "[ . 1 . 2]"
2 25 GLU 1.708 0.603 6 1 "[ .+ 1 . 2]"
2 26 ILE 4.562 0.938 6 2 "[- .+ 1 . 2]"
2 27 ALA 0.904 0.129 6 0 "[ . 1 . 2]"
2 28 ARG 1.916 0.938 6 2 "[- .+ 1 . 2]"
2 29 GLY 1.277 0.690 11 1 "[ . 1+ . 2]"
2 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 VAL 0.026 0.019 16 0 "[ . 1 . 2]"
2 33 ASP 2.432 0.690 11 1 "[ . 1+ . 2]"
2 34 GLY 1.258 0.117 8 0 "[ . 1 . 2]"
2 35 LYS 0.114 0.066 6 0 "[ . 1 . 2]"
2 36 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 ALA 0.009 0.009 16 0 "[ . 1 . 2]"
2 39 THR 1.486 0.306 11 0 "[ . 1 . 2]"
2 40 PHE 3.099 0.493 13 0 "[ . 1 . 2]"
2 41 ALA 0.138 0.026 1 0 "[ . 1 . 2]"
2 42 THR 0.477 0.062 12 0 "[ . 1 . 2]"
2 43 SER 0.283 0.089 14 0 "[ . 1 . 2]"
2 44 LEU 0.782 0.451 4 0 "[ . 1 . 2]"
2 45 GLY 0.608 0.064 13 0 "[ . 1 . 2]"
2 46 LEU 2.193 0.451 4 0 "[ . 1 . 2]"
2 47 THR 0.357 0.058 16 0 "[ . 1 . 2]"
2 48 ARG 2.354 0.529 12 1 "[ . 1 + . 2]"
2 49 GLY 1.802 0.971 12 2 "[ . 1-+ . 2]"
2 50 ALA 0.233 0.058 16 0 "[ . 1 . 2]"
2 51 VAL 1.002 0.388 10 0 "[ . 1 . 2]"
2 52 SER 6.573 0.971 12 2 "[ . 1*+ . 2]"
2 53 GLN 5.905 0.863 16 5 "[ . - ***+ 2]"
2 54 ALA 1.807 0.135 17 0 "[ . 1 . 2]"
2 55 VAL 1.815 0.156 12 0 "[ . 1 . 2]"
2 56 HIS 3.151 0.863 16 2 "[ . 1 -+ 2]"
2 57 ARG 5.668 0.841 13 3 "[- . 1 + * 2]"
2 58 VAL 3.298 0.400 10 0 "[ . 1 . 2]"
2 59 TRP 5.157 0.205 10 0 "[ . 1 . 2]"
2 60 ALA 0.983 0.102 16 0 "[ . 1 . 2]"
2 61 ALA 0.053 0.028 20 0 "[ . 1 . 2]"
2 62 PHE 0.101 0.028 20 0 "[ . 1 . 2]"
2 63 GLU 0.181 0.020 7 0 "[ . 1 . 2]"
2 64 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 65 LYS 6.617 0.847 4 6 "[* *+. 1 **- 2]"
2 66 ASN 7.031 0.847 4 6 "[* -+. 1 *** 2]"
2 67 LEU 1.091 0.184 14 0 "[ . 1 . 2]"
2 68 PRO 0.358 0.184 14 0 "[ . 1 . 2]"
2 69 GLU 7.045 0.870 20 4 "[ * . * - . +]"
2 70 GLY 3.754 0.870 20 4 "[ - . * * . +]"
2 71 TYR 0.301 0.104 9 0 "[ . 1 . 2]"
2 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 73 ARG 2.049 0.798 7 1 "[ . + 1 . 2]"
2 74 VAL 1.185 0.146 11 0 "[ . 1 . 2]"
2 75 THR 0.079 0.048 5 0 "[ . 1 . 2]"
2 76 ALA 0.079 0.048 5 0 "[ . 1 . 2]"
2 77 VAL 2.078 0.758 15 1 "[ . 1 + 2]"
2 78 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 79 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 80 GLU 0.886 0.120 8 0 "[ . 1 . 2]"
2 81 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 83 ALA 0.337 0.084 1 0 "[ . 1 . 2]"
2 84 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 VAL 1.473 0.140 17 0 "[ . 1 . 2]"
2 87 ARG 1.418 0.206 19 0 "[ . 1 . 2]"
2 88 LYS 0.578 0.155 4 0 "[ . 1 . 2]"
2 89 TRP 1.033 0.155 4 0 "[ . 1 . 2]"
2 90 GLU 2.961 0.436 9 0 "[ . 1 . 2]"
2 91 ALA 0.573 0.295 16 0 "[ . 1 . 2]"
2 92 ASP 3.039 0.436 9 0 "[ . 1 . 2]"
2 93 ALA 0.006 0.003 15 0 "[ . 1 . 2]"
2 94 LYS 5.129 0.989 4 3 "[ +. *1 - . 2]"
2 95 LYS 7.483 0.643 4 2 "[ +. 1 - . 2]"
2 96 LYS 1.534 0.333 5 0 "[ . 1 . 2]"
2 97 GLN 8.574 0.989 4 4 "[ +.* -* . 2]"
2 98 GLU 5.227 0.547 3 1 "[ + . 1 . 2]"
2 99 THR 4.637 0.246 13 0 "[ . 1 . 2]"
2 100 LYS 4.207 0.453 11 0 "[ . 1 . 2]"
2 101 ARG 0.412 0.097 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 50 ALA H 1 50 ALA HA 2.600 . 3.500 2.849 2.782 2.884 . 0 0 "[ . 1 . 2]" 1
2 1 47 THR HG1 1 50 ALA H 3.300 . 4.700 3.602 2.661 4.763 0.063 15 0 "[ . 1 . 2]" 1
3 1 77 VAL HB 1 78 LEU H 3.700 . 5.400 4.133 3.204 4.327 . 0 0 "[ . 1 . 2]" 1
4 1 13 ALA HA 1 15 GLN H 3.500 . 5.000 4.232 3.766 4.848 . 0 0 "[ . 1 . 2]" 1
5 1 37 GLN H 1 37 GLN HB2 2.800 . 3.800 2.559 2.174 3.607 . 0 0 "[ . 1 . 2]" 1
6 1 67 LEU H 1 68 PRO HG3 2.700 . 6.000 4.804 3.973 5.872 . 0 0 "[ . 1 . 2]" 1
7 1 13 ALA HA 1 14 ILE H 3.200 . 4.500 3.553 3.451 3.584 . 0 0 "[ . 1 . 2]" 1
8 1 4 ARG QG 1 34 GLY H 3.200 . 4.500 3.272 2.478 3.858 . 0 0 "[ . 1 . 2]" 1
9 1 28 ARG HG2 1 29 GLY H 3.700 . 5.400 4.618 4.009 5.149 . 0 0 "[ . 1 . 2]" 1
10 1 20 GLY H 1 23 THR HG1 3.600 . 5.200 2.918 2.234 4.000 . 0 0 "[ . 1 . 2]" 1
11 1 43 SER HA 1 45 GLY H 3.600 . 5.200 4.266 4.016 4.563 . 0 0 "[ . 1 . 2]" 1
12 1 39 THR H 1 39 THR HG1 2.700 . 3.600 2.415 1.955 2.950 . 0 0 "[ . 1 . 2]" 1
13 1 42 THR H 1 42 THR HG1 2.700 . 3.600 2.480 1.958 3.229 . 0 0 "[ . 1 . 2]" 1
14 1 97 GLN QE 1 97 GLN HG3 3.100 . 4.300 2.509 2.105 3.352 . 0 0 "[ . 1 . 2]" 1
15 1 94 LYS QG 1 97 GLN QE 3.700 . 5.100 3.539 2.009 4.636 . 0 0 "[ . 1 . 2]" 1
16 1 53 GLN HE22 1 53 GLN HG3 3.000 . 4.100 3.724 3.440 4.096 . 0 0 "[ . 1 . 2]" 1
17 1 53 GLN HE21 1 53 GLN HG3 3.300 . 4.700 2.772 2.125 3.558 . 0 0 "[ . 1 . 2]" 1
18 1 53 GLN HE21 1 53 GLN HG2 3.500 . 5.000 2.852 2.118 3.548 . 0 0 "[ . 1 . 2]" 1
19 1 70 GLY H 1 70 GLY HA3 2.700 . 3.600 2.557 2.316 2.951 . 0 0 "[ . 1 . 2]" 1
20 1 69 GLU HG3 1 70 GLY H 3.100 . 4.300 3.736 2.696 4.593 0.293 14 0 "[ . 1 . 2]" 1
21 1 15 GLN HE21 1 15 GLN HG2 2.700 . 3.600 2.801 2.117 3.479 . 0 0 "[ . 1 . 2]" 1
22 1 6 THR HA 1 8 SER H 3.300 . 4.600 4.310 3.998 4.599 . 0 0 "[ . 1 . 2]" 1
23 1 7 GLU HG2 1 8 SER H 3.400 . 4.900 4.701 2.712 5.325 0.425 20 0 "[ . 1 . 2]" 1
24 1 6 THR HG1 1 8 SER H 3.200 . 4.500 4.180 3.043 4.557 0.057 13 0 "[ . 1 . 2]" 1
25 1 91 ALA H 1 92 ASP HB2 3.300 . 4.700 4.601 4.175 5.163 0.463 16 0 "[ . 1 . 2]" 1
26 1 90 GLU HB3 1 91 ALA H 3.200 . 4.400 2.682 2.359 3.876 . 0 0 "[ . 1 . 2]" 1
27 1 6 THR HG1 1 9 GLN H 3.300 . 4.600 3.276 2.303 3.889 . 0 0 "[ . 1 . 2]" 1
28 1 29 GLY HA3 1 35 LYS H 3.300 . 6.000 5.401 4.438 6.946 0.946 15 2 "[ .- 1 + 2]" 1
29 1 4 ARG QG 1 35 LYS H 2.400 . 6.000 4.558 3.602 4.994 . 0 0 "[ . 1 . 2]" 1
30 1 69 GLU H 1 69 GLU HA 2.700 . 3.600 2.905 2.760 2.948 . 0 0 "[ . 1 . 2]" 1
31 1 69 GLU H 1 69 GLU HG3 3.000 . 6.000 4.523 4.169 5.041 . 0 0 "[ . 1 . 2]" 1
32 1 68 PRO HB3 1 69 GLU H 2.800 . 6.000 3.936 2.710 4.657 . 0 0 "[ . 1 . 2]" 1
33 1 69 GLU H 1 69 GLU HB3 2.500 . 3.300 2.902 2.483 3.324 0.024 20 0 "[ . 1 . 2]" 1
34 1 69 GLU H 1 69 GLU HB2 2.500 . 3.300 2.621 2.059 3.228 . 0 0 "[ . 1 . 2]" 1
35 1 68 PRO HG2 1 69 GLU H 3.000 . 6.000 4.797 3.250 5.795 . 0 0 "[ . 1 . 2]" 1
36 1 91 ALA HA 1 93 ALA H 3.300 . 4.600 4.390 4.098 4.623 0.023 15 0 "[ . 1 . 2]" 1
37 1 69 GLU HA 1 71 TYR H 3.100 . 4.300 3.832 3.136 4.307 0.007 15 0 "[ . 1 . 2]" 1
38 1 89 TRP HA 1 93 ALA H 3.600 . 5.200 4.057 3.602 4.464 . 0 0 "[ . 1 . 2]" 1
39 1 92 ASP HB3 1 93 ALA H 2.900 . 4.000 2.774 2.484 3.262 . 0 0 "[ . 1 . 2]" 1
40 1 92 ASP HB2 1 93 ALA H 2.900 . 4.000 3.687 3.252 4.010 0.010 16 0 "[ . 1 . 2]" 1
41 1 93 ALA H 1 94 LYS HB2 3.200 . 6.000 4.663 4.301 5.029 . 0 0 "[ . 1 . 2]" 1
42 1 4 ARG H 1 59 TRP HH2 3.100 . 4.300 4.279 2.788 4.412 0.112 5 0 "[ . 1 . 2]" 1
43 1 6 THR HA 1 7 GLU H 2.500 . 3.300 2.409 2.326 2.521 . 0 0 "[ . 1 . 2]" 1
44 1 41 ALA H 1 42 THR HB 3.700 . 5.400 5.256 4.928 5.432 0.032 18 0 "[ . 1 . 2]" 1
45 1 39 THR HG1 1 40 PHE H 2.900 . 3.900 3.470 2.362 4.015 0.115 12 0 "[ . 1 . 2]" 1
46 1 98 GLU H 1 98 GLU HG3 2.900 . 6.000 3.946 2.370 4.642 . 0 0 "[ . 1 . 2]" 1
47 1 98 GLU H 1 98 GLU HB2 2.300 . 3.000 2.598 2.070 3.122 0.122 8 0 "[ . 1 . 2]" 1
48 1 98 GLU H 1 99 THR H 2.600 . 6.000 3.989 2.145 4.603 . 0 0 "[ . 1 . 2]" 1
49 1 47 THR HB 1 48 ARG H 2.700 . 3.600 2.784 2.508 3.469 . 0 0 "[ . 1 . 2]" 1
50 1 47 THR HA 1 48 ARG H 2.600 . 3.400 2.353 2.318 2.389 . 0 0 "[ . 1 . 2]" 1
51 1 48 ARG H 1 48 ARG HA 2.900 . 4.000 2.815 2.745 2.840 . 0 0 "[ . 1 . 2]" 1
52 1 48 ARG H 1 48 ARG HB3 2.700 . 3.600 3.249 2.543 3.621 0.021 9 0 "[ . 1 . 2]" 1
53 1 48 ARG H 1 48 ARG HG2 3.200 . 4.500 3.745 1.714 4.574 0.186 17 0 "[ . 1 . 2]" 1
54 1 47 THR HG1 1 48 ARG H 3.000 . 6.000 4.859 4.383 5.042 . 0 0 "[ . 1 . 2]" 1
55 1 46 LEU H 1 46 LEU HA 2.900 . 4.000 2.913 2.866 2.942 . 0 0 "[ . 1 . 2]" 1
56 1 92 ASP HA 1 96 LYS H 3.700 . 5.400 4.632 4.050 5.125 . 0 0 "[ . 1 . 2]" 1
57 1 93 ALA HA 1 96 LYS H 3.000 . 4.200 3.438 3.083 3.729 . 0 0 "[ . 1 . 2]" 1
58 1 92 ASP H 1 92 ASP HB2 2.700 . 3.600 2.385 2.096 2.744 . 0 0 "[ . 1 . 2]" 1
59 1 92 ASP H 1 92 ASP HB3 2.700 . 3.600 2.780 2.355 3.194 . 0 0 "[ . 1 . 2]" 1
60 1 28 ARG H 1 28 ARG HB3 2.600 . 3.500 2.895 2.490 3.587 0.087 13 0 "[ . 1 . 2]" 1
61 1 26 ILE HG13 1 28 ARG H 3.300 . 6.000 5.847 5.612 6.979 0.979 6 2 "[- .+ 1 . 2]" 1
62 1 28 ARG H 1 28 ARG HG2 3.500 . 5.000 4.374 3.504 4.670 . 0 0 "[ . 1 . 2]" 1
63 1 10 PHE HZ 1 28 ARG H 3.000 . 4.100 3.342 2.891 3.930 . 0 0 "[ . 1 . 2]" 1
64 1 46 LEU H 1 46 LEU HB3 2.800 . 3.800 3.575 3.398 3.745 . 0 0 "[ . 1 . 2]" 1
65 1 45 GLY H 1 46 LEU H 2.500 . 3.300 2.318 2.180 2.486 . 0 0 "[ . 1 . 2]" 1
66 1 93 ALA HA 1 95 LYS H 3.500 . 5.000 4.089 3.803 4.378 . 0 0 "[ . 1 . 2]" 1
67 1 95 LYS H 1 95 LYS HB3 2.100 . 6.000 2.792 2.328 3.314 . 0 0 "[ . 1 . 2]" 1
68 1 95 LYS H 1 95 LYS HB2 2.800 . 3.800 2.326 2.062 2.690 . 0 0 "[ . 1 . 2]" 1
69 1 95 LYS H 1 95 LYS HG3 2.800 . 6.000 4.237 3.611 4.623 . 0 0 "[ . 1 . 2]" 1
70 1 94 LYS HD3 1 95 LYS H 2.800 . 6.000 5.501 4.301 6.160 0.160 4 0 "[ . 1 . 2]" 1
71 1 58 VAL HA 1 61 ALA H 3.100 . 4.300 3.544 3.330 3.765 . 0 0 "[ . 1 . 2]" 1
72 1 61 ALA H 1 62 PHE HB2 3.700 . 5.400 5.028 4.655 5.241 . 0 0 "[ . 1 . 2]" 1
73 1 61 ALA H 1 61 ALA HA 2.600 . 3.400 2.827 2.805 2.866 . 0 0 "[ . 1 . 2]" 1
74 1 60 ALA HA 1 61 ALA H 3.000 . 4.100 3.514 3.490 3.540 . 0 0 "[ . 1 . 2]" 1
75 1 61 ALA H 1 62 PHE H 2.800 . 3.800 2.614 2.451 2.728 . 0 0 "[ . 1 . 2]" 1
76 1 60 ALA H 1 61 ALA H 2.800 . 3.800 2.637 2.500 2.714 . 0 0 "[ . 1 . 2]" 1
77 1 19 VAL HB 1 21 GLN H 2.500 . 6.000 5.843 5.621 6.032 0.032 9 0 "[ . 1 . 2]" 1
78 1 25 GLU H 1 25 GLU HG2 2.900 . 3.900 3.446 2.194 4.480 0.580 12 2 "[ . - 1 + . 2]" 1
79 1 25 GLU H 1 25 GLU QB 2.500 . 3.300 2.164 2.015 2.414 . 0 0 "[ . 1 . 2]" 1
80 1 24 ILE QG 1 25 GLU H 3.200 . 4.500 4.050 3.913 4.134 . 0 0 "[ . 1 . 2]" 1
81 1 97 GLN H 1 98 GLU H 2.700 . 3.600 2.208 1.891 2.421 . 0 0 "[ . 1 . 2]" 1
82 1 95 LYS H 1 97 GLN H 3.700 . 5.400 4.086 3.861 4.352 . 0 0 "[ . 1 . 2]" 1
83 1 97 GLN H 1 98 GLU HA 3.400 . 4.900 4.749 4.143 5.018 0.118 11 0 "[ . 1 . 2]" 1
84 1 97 GLN H 1 97 GLN HG3 2.700 . 3.600 2.891 2.032 4.540 0.940 6 2 "[ .+ - . 2]" 1
85 1 97 GLN H 1 98 GLU HB2 2.500 . 6.000 4.366 3.567 4.992 . 0 0 "[ . 1 . 2]" 1
86 1 51 VAL H 1 52 SER H 2.700 . 3.600 2.646 2.551 2.783 . 0 0 "[ . 1 . 2]" 1
87 1 48 ARG HA 1 51 VAL H 3.000 . 4.100 3.509 3.325 3.751 . 0 0 "[ . 1 . 2]" 1
88 1 38 ALA H 1 39 THR HG1 3.600 . 5.300 4.458 4.074 4.994 . 0 0 "[ . 1 . 2]" 1
89 1 31 LEU H 1 32 VAL H 3.000 . 4.100 2.347 2.103 2.620 . 0 0 "[ . 1 . 2]" 1
90 1 5 LEU H 1 32 VAL H 2.200 . 6.000 4.276 3.890 4.615 . 0 0 "[ . 1 . 2]" 1
91 1 28 ARG HA 1 32 VAL H 3.100 . 4.300 3.387 2.986 3.644 . 0 0 "[ . 1 . 2]" 1
92 1 28 ARG HB3 1 32 VAL H 3.700 . 6.000 5.713 5.479 6.028 0.028 14 0 "[ . 1 . 2]" 1
93 1 62 PHE H 1 63 GLU HB2 3.500 . 5.000 4.701 4.395 4.965 . 0 0 "[ . 1 . 2]" 1
94 1 57 ARG H 1 57 ARG HG2 3.700 . 5.400 4.358 2.712 4.641 . 0 0 "[ . 1 . 2]" 1
95 1 57 ARG H 1 57 ARG HB3 2.600 . 3.400 2.971 2.524 3.505 0.105 2 0 "[ . 1 . 2]" 1
96 1 57 ARG H 1 57 ARG HB2 2.600 . 3.400 2.223 2.056 2.442 . 0 0 "[ . 1 . 2]" 1
97 1 56 HIS HA 1 57 ARG H 3.200 . 4.400 3.544 3.510 3.574 . 0 0 "[ . 1 . 2]" 1
98 1 54 ALA HA 1 57 ARG H 3.000 . 4.100 3.526 3.224 3.744 . 0 0 "[ . 1 . 2]" 1
99 1 57 ARG H 1 57 ARG HA 2.600 . 3.400 2.811 2.780 2.865 . 0 0 "[ . 1 . 2]" 1
100 1 53 GLN H 1 57 ARG H 2.100 . 6.000 5.892 5.729 6.009 0.009 18 0 "[ . 1 . 2]" 1
101 1 57 ARG H 1 58 VAL H 2.800 . 3.800 2.796 2.632 2.904 . 0 0 "[ . 1 . 2]" 1
102 1 66 ASN H 1 66 ASN HD21 3.300 . 4.600 3.492 2.213 4.585 . 0 0 "[ . 1 . 2]" 1
103 1 66 ASN H 1 66 ASN HA 2.600 . 3.500 2.905 2.843 2.948 . 0 0 "[ . 1 . 2]" 1
104 1 66 ASN H 1 66 ASN QB 2.800 . 3.600 2.362 2.075 2.954 . 0 0 "[ . 1 . 2]" 1
105 1 65 LYS HG3 1 66 ASN H 3.500 . 5.000 4.891 4.039 5.591 0.591 8 1 "[ . + 1 . 2]" 1
106 1 44 LEU H 1 44 LEU HB3 2.500 . 6.000 3.473 3.253 3.630 . 0 0 "[ . 1 . 2]" 1
107 1 44 LEU H 1 44 LEU HB2 2.700 . 3.600 2.244 2.109 2.402 . 0 0 "[ . 1 . 2]" 1
108 1 44 LEU H 1 46 LEU H 3.300 . 4.700 3.609 3.394 3.926 . 0 0 "[ . 1 . 2]" 1
109 1 63 GLU HB2 1 64 ASP H 3.000 . 4.100 3.201 2.530 3.959 . 0 0 "[ . 1 . 2]" 1
110 1 63 GLU HB3 1 64 ASP H 3.300 . 4.600 3.175 2.422 3.875 . 0 0 "[ . 1 . 2]" 1
111 1 65 LYS H 1 66 ASN HA 3.700 . 5.400 5.136 4.960 5.346 . 0 0 "[ . 1 . 2]" 1
112 1 65 LYS H 1 66 ASN QB 3.700 . 5.400 4.418 3.975 5.113 . 0 0 "[ . 1 . 2]" 1
113 1 65 LYS H 1 65 LYS HB3 2.700 . 3.600 3.105 2.507 3.590 . 0 0 "[ . 1 . 2]" 1
114 1 65 LYS H 1 65 LYS HB2 2.600 . 3.500 2.296 2.056 2.558 . 0 0 "[ . 1 . 2]" 1
115 1 65 LYS H 1 65 LYS HG3 2.900 . 6.000 3.715 2.541 4.524 . 0 0 "[ . 1 . 2]" 1
116 1 56 HIS HA 1 58 VAL H 3.700 . 5.400 4.865 4.532 5.145 . 0 0 "[ . 1 . 2]" 1
117 1 54 ALA HA 1 58 VAL H 3.500 . 5.100 3.864 3.717 4.089 . 0 0 "[ . 1 . 2]" 1
118 1 58 VAL H 1 58 VAL HA 2.900 . 4.000 2.842 2.816 2.875 . 0 0 "[ . 1 . 2]" 1
119 1 55 VAL HA 1 58 VAL H 3.500 . 5.000 4.032 3.839 4.227 . 0 0 "[ . 1 . 2]" 1
120 1 56 HIS HB2 1 58 VAL H 3.300 . 6.000 5.635 5.180 6.222 0.222 9 0 "[ . 1 . 2]" 1
121 1 57 ARG HG2 1 58 VAL H 3.300 . 4.700 4.673 4.290 5.056 0.356 6 0 "[ . 1 . 2]" 1
122 1 86 VAL HB 1 87 ARG H 3.100 . 4.300 2.743 2.525 2.901 . 0 0 "[ . 1 . 2]" 1
123 1 87 ARG H 1 87 ARG HB3 2.600 . 3.400 3.112 2.445 3.604 0.204 12 0 "[ . 1 . 2]" 1
124 1 85 ILE HB 1 87 ARG H 2.900 . 6.000 5.163 4.925 5.377 . 0 0 "[ . 1 . 2]" 1
125 1 53 GLN HA 1 56 HIS H 3.000 . 4.100 3.615 3.297 3.828 . 0 0 "[ . 1 . 2]" 1
126 1 4 ARG QG 1 33 ASP H 3.700 . 5.400 4.838 3.870 5.296 . 0 0 "[ . 1 . 2]" 1
127 1 43 SER H 1 43 SER HB2 2.400 . 3.100 2.516 2.360 2.763 . 0 0 "[ . 1 . 2]" 1
128 1 42 THR HG1 1 43 SER H 2.900 . 6.000 4.481 4.107 4.959 . 0 0 "[ . 1 . 2]" 1
129 1 10 PHE HB3 1 11 GLN H 3.200 . 4.500 2.493 2.244 2.749 . 0 0 "[ . 1 . 2]" 1
130 1 10 PHE HB2 1 11 GLN H 3.000 . 4.100 3.794 3.559 3.968 . 0 0 "[ . 1 . 2]" 1
131 1 84 TYR H 1 84 TYR HB2 2.700 . 3.600 2.599 2.439 2.954 . 0 0 "[ . 1 . 2]" 1
132 1 84 TYR H 1 84 TYR HB3 2.700 . 3.600 2.416 2.110 2.595 . 0 0 "[ . 1 . 2]" 1
133 1 81 HIS HA 1 84 TYR H 3.400 . 4.900 3.858 3.537 4.271 . 0 0 "[ . 1 . 2]" 1
134 1 84 TYR H 1 84 TYR HA 2.800 . 3.800 2.768 2.757 2.786 . 0 0 "[ . 1 . 2]" 1
135 1 83 ALA HA 1 84 TYR H 3.200 . 4.500 3.459 3.432 3.477 . 0 0 "[ . 1 . 2]" 1
136 1 83 ALA H 1 84 TYR H 3.000 . 4.100 2.676 2.609 2.786 . 0 0 "[ . 1 . 2]" 1
137 1 84 TYR H 1 87 ARG H 2.400 . 6.000 4.804 4.684 5.155 . 0 0 "[ . 1 . 2]" 1
138 1 84 TYR H 1 85 ILE H 3.200 . 4.500 2.798 2.720 2.849 . 0 0 "[ . 1 . 2]" 1
139 1 98 GLU HB3 1 99 THR H 3.100 . 4.300 3.608 2.070 4.385 0.085 19 0 "[ . 1 . 2]" 1
140 1 99 THR H 1 100 LYS H 2.900 . 3.900 3.478 1.933 4.077 0.177 15 0 "[ . 1 . 2]" 1
141 1 99 THR HB 1 100 LYS H 3.000 . 4.100 3.954 2.063 4.310 0.210 18 0 "[ . 1 . 2]" 1
142 1 49 GLY H 1 52 SER HB2 4.000 . 6.000 5.600 4.916 6.938 0.938 12 5 "[ * . - 1*+ . * 2]" 1
143 1 57 ARG H 1 58 VAL HA 4.400 . 6.000 5.366 5.229 5.447 . 0 0 "[ . 1 . 2]" 1
144 1 63 GLU H 1 64 ASP H 3.000 . 4.100 2.645 2.532 2.762 . 0 0 "[ . 1 . 2]" 1
145 1 74 VAL H 1 75 THR H 3.600 . 5.200 4.503 4.265 4.592 . 0 0 "[ . 1 . 2]" 1
146 1 54 ALA H 1 54 ALA HA 2.600 . 3.400 2.827 2.793 2.859 . 0 0 "[ . 1 . 2]" 1
147 1 52 SER HB2 1 54 ALA H 3.600 . 6.000 5.350 5.155 5.868 . 0 0 "[ . 1 . 2]" 1
148 1 51 VAL HA 1 54 ALA H 3.200 . 4.500 3.558 3.389 3.796 . 0 0 "[ . 1 . 2]" 1
149 1 53 GLN HG3 1 54 ALA H 3.900 . 5.800 4.858 3.598 5.325 . 0 0 "[ . 1 . 2]" 1
150 1 53 GLN HG2 1 54 ALA H 3.800 . 5.600 4.444 3.448 5.064 . 0 0 "[ . 1 . 2]" 1
151 1 53 GLN HB3 1 54 ALA H 2.700 . 3.600 2.772 2.482 3.442 . 0 0 "[ . 1 . 2]" 1
152 1 88 LYS H 1 89 TRP HB3 2.700 . 6.000 5.905 5.679 6.181 0.181 9 0 "[ . 1 . 2]" 1
153 1 88 LYS H 1 88 LYS HB3 2.700 . 3.600 3.381 2.701 3.618 0.018 14 0 "[ . 1 . 2]" 1
154 1 19 VAL H 1 19 VAL HA 2.600 . 3.500 2.930 2.900 2.942 . 0 0 "[ . 1 . 2]" 1
155 1 23 THR H 1 23 THR HB 2.500 . 3.300 3.091 2.614 3.459 0.159 2 0 "[ . 1 . 2]" 1
156 1 21 GLN HA 1 23 THR H 3.700 . 5.400 4.405 4.210 4.683 . 0 0 "[ . 1 . 2]" 1
157 1 23 THR H 1 23 THR HA 2.800 . 3.800 2.820 2.792 2.856 . 0 0 "[ . 1 . 2]" 1
158 1 94 LYS H 1 94 LYS HA 2.600 . 3.400 2.846 2.817 2.876 . 0 0 "[ . 1 . 2]" 1
159 1 78 LEU H 2 72 ALA H 3.500 . 5.100 3.958 2.866 5.095 . 0 0 "[ . 1 . 2]" 1
160 1 10 PHE H 1 10 PHE HB2 2.500 . 3.300 2.488 2.316 2.724 . 0 0 "[ . 1 . 2]" 1
161 1 59 TRP HE3 1 60 ALA H 3.900 . 5.800 5.826 5.646 5.951 0.151 5 0 "[ . 1 . 2]" 1
162 1 85 ILE H 1 87 ARG H 4.400 . 6.000 4.056 3.885 4.360 . 0 0 "[ . 1 . 2]" 1
163 1 88 LYS H 1 91 ALA H 4.000 . 6.000 4.929 4.571 5.702 . 0 0 "[ . 1 . 2]" 1
164 1 93 ALA H 1 94 LYS H 2.700 . 3.600 2.576 2.443 2.663 . 0 0 "[ . 1 . 2]" 1
165 1 93 ALA H 1 95 LYS H 3.100 . 4.300 3.846 3.656 4.097 . 0 0 "[ . 1 . 2]" 1
166 1 6 THR H 1 6 THR HB 3.500 . 5.000 3.397 3.019 3.694 . 0 0 "[ . 1 . 2]" 1
167 1 10 PHE HA 1 11 GLN H 3.100 . 4.300 3.543 3.506 3.568 . 0 0 "[ . 1 . 2]" 1
168 1 15 GLN H 1 15 GLN HA 2.700 . 3.600 2.693 2.263 2.856 . 0 0 "[ . 1 . 2]" 1
169 1 33 ASP H 1 34 GLY HA3 3.400 . 4.900 4.951 4.880 5.022 0.122 6 0 "[ . 1 . 2]" 1
170 1 32 VAL H 1 33 ASP HB3 4.000 . 6.000 5.228 4.568 5.934 . 0 0 "[ . 1 . 2]" 1
171 1 42 THR HB 1 43 SER H 2.600 . 3.400 2.933 2.548 3.156 . 0 0 "[ . 1 . 2]" 1
172 1 43 SER H 1 43 SER HA 2.500 . 3.300 2.858 2.824 2.889 . 0 0 "[ . 1 . 2]" 1
173 1 45 GLY HA3 1 46 LEU H 2.300 . 6.000 3.433 3.248 3.534 . 0 0 "[ . 1 . 2]" 1
174 1 47 THR H 1 50 ALA HA 3.900 . 5.800 5.590 5.233 5.823 0.023 18 0 "[ . 1 . 2]" 1
175 1 54 ALA HA 1 59 TRP H 2.900 . 6.000 6.101 6.042 6.181 0.181 7 0 "[ . 1 . 2]" 1
176 1 61 ALA H 1 62 PHE HB3 3.900 . 5.800 4.797 4.533 5.121 . 0 0 "[ . 1 . 2]" 1
177 1 69 GLU HB2 1 71 TYR H 3.500 . 6.000 5.087 3.954 6.005 0.005 4 0 "[ . 1 . 2]" 1
178 1 75 THR H 1 75 THR HB 2.800 . 3.800 2.950 2.575 3.653 . 0 0 "[ . 1 . 2]" 1
179 1 74 VAL HA 1 75 THR H 2.300 . 3.000 2.183 2.102 2.281 . 0 0 "[ . 1 . 2]" 1
180 1 74 VAL HB 1 75 THR H 2.900 . 4.000 3.054 2.723 3.725 . 0 0 "[ . 1 . 2]" 1
181 1 75 THR H 1 75 THR HG1 2.900 . 3.900 2.700 1.933 3.809 . 0 0 "[ . 1 . 2]" 1
182 1 58 VAL HA 1 59 TRP H 3.500 . 5.000 3.552 3.520 3.580 . 0 0 "[ . 1 . 2]" 1
183 1 59 TRP H 1 59 TRP HB3 3.500 . 5.100 2.756 2.607 2.873 . 0 0 "[ . 1 . 2]" 1
184 1 58 VAL HB 1 59 TRP H 2.900 . 4.000 2.659 2.544 2.807 . 0 0 "[ . 1 . 2]" 1
185 1 56 HIS HA 1 59 TRP H 3.200 . 4.500 4.047 3.311 4.452 . 0 0 "[ . 1 . 2]" 1
186 1 11 GLN H 1 14 ILE HG12 3.900 . 5.800 4.393 4.029 4.542 . 0 0 "[ . 1 . 2]" 1
187 1 90 GLU H 1 90 GLU HB3 2.900 . 4.000 2.738 2.197 3.577 . 0 0 "[ . 1 . 2]" 1
188 1 88 LYS HB3 1 89 TRP H 3.000 . 4.100 3.393 2.681 3.938 . 0 0 "[ . 1 . 2]" 1
189 1 59 TRP HE1 1 63 GLU HB2 3.300 . 6.000 4.940 3.498 6.002 0.002 1 0 "[ . 1 . 2]" 1
190 1 99 THR HG1 1 100 LYS H 3.200 . 6.000 4.865 3.928 5.545 . 0 0 "[ . 1 . 2]" 1
191 1 66 ASN H 1 66 ASN HD22 3.700 . 5.400 4.683 3.271 5.685 0.285 16 0 "[ . 1 . 2]" 1
192 1 22 GLN HA 1 26 ILE H 3.600 . 5.200 4.357 3.834 4.717 . 0 0 "[ . 1 . 2]" 1
193 1 94 LYS H 1 94 LYS HB2 2.300 . 3.000 2.310 2.057 2.545 . 0 0 "[ . 1 . 2]" 1
194 1 92 ASP HB2 1 94 LYS H 3.900 . 5.800 5.632 5.289 5.909 0.109 18 0 "[ . 1 . 2]" 1
195 1 27 ALA HA 1 30 VAL H 2.900 . 3.900 3.129 2.894 3.486 . 0 0 "[ . 1 . 2]" 1
196 1 66 ASN QB 1 66 ASN HD21 3.100 . 4.300 2.375 2.102 2.824 . 0 0 "[ . 1 . 2]" 1
197 1 66 ASN HA 1 66 ASN HD21 3.700 . 5.400 3.379 1.918 4.498 0.082 13 0 "[ . 1 . 2]" 1
198 1 66 ASN HA 1 66 ASN HD22 3.800 . 5.600 4.177 3.301 5.161 . 0 0 "[ . 1 . 2]" 1
199 1 4 ARG QB 1 4 ARG HE 4.300 . 6.000 2.258 1.912 2.741 0.088 15 0 "[ . 1 . 2]" 1
200 1 80 GLU HB3 1 81 HIS H 3.900 . 5.800 3.675 2.558 4.376 . 0 0 "[ . 1 . 2]" 1
201 1 5 LEU H 1 31 LEU HA 3.300 . 4.600 4.098 3.601 4.624 0.024 20 0 "[ . 1 . 2]" 1
202 1 4 ARG HD2 1 5 LEU H 4.000 . 6.000 5.406 2.806 6.127 0.127 10 0 "[ . 1 . 2]" 1
203 1 95 LYS QE 1 96 LYS H 4.000 . 6.000 4.608 3.335 5.572 . 0 0 "[ . 1 . 2]" 1
204 1 60 ALA H 1 62 PHE H 4.300 . 6.000 4.138 3.940 4.461 . 0 0 "[ . 1 . 2]" 1
205 1 81 HIS H 1 82 GLN H 4.000 . 6.000 2.666 2.522 2.850 . 0 0 "[ . 1 . 2]" 1
206 1 58 VAL HA 1 60 ALA H 3.900 . 5.800 4.476 4.173 4.726 . 0 0 "[ . 1 . 2]" 1
207 2 50 ALA H 2 50 ALA HA 2.600 . 3.500 2.847 2.802 2.880 . 0 0 "[ . 1 . 2]" 1
208 2 47 THR HG1 2 50 ALA H 3.300 . 4.700 3.685 2.327 4.758 0.058 16 0 "[ . 1 . 2]" 1
209 2 77 VAL HB 2 78 LEU H 3.700 . 5.400 4.127 3.593 4.347 . 0 0 "[ . 1 . 2]" 1
210 2 13 ALA HA 2 15 GLN H 3.500 . 5.000 4.257 3.804 4.893 . 0 0 "[ . 1 . 2]" 1
211 2 37 GLN H 2 37 GLN HB2 2.800 . 3.800 2.447 2.146 3.632 . 0 0 "[ . 1 . 2]" 1
212 2 67 LEU H 2 68 PRO HG3 2.700 . 6.000 4.797 4.253 5.821 . 0 0 "[ . 1 . 2]" 1
213 2 13 ALA HA 2 14 ILE H 3.200 . 4.500 3.554 3.457 3.582 . 0 0 "[ . 1 . 2]" 1
214 2 4 ARG QG 2 34 GLY H 3.200 . 4.500 3.212 2.254 3.873 . 0 0 "[ . 1 . 2]" 1
215 2 28 ARG HG2 2 29 GLY H 3.700 . 5.400 4.559 3.648 5.175 . 0 0 "[ . 1 . 2]" 1
216 2 20 GLY H 2 23 THR HG1 3.600 . 5.200 3.088 2.439 4.012 . 0 0 "[ . 1 . 2]" 1
217 2 43 SER HA 2 45 GLY H 3.600 . 5.200 4.247 3.947 4.717 . 0 0 "[ . 1 . 2]" 1
218 2 39 THR H 2 39 THR HG1 2.700 . 3.600 2.500 1.985 3.167 . 0 0 "[ . 1 . 2]" 1
219 2 42 THR H 2 42 THR HG1 2.700 . 3.600 2.455 1.948 3.253 . 0 0 "[ . 1 . 2]" 1
220 2 97 GLN QE 2 97 GLN HG3 3.100 . 4.300 2.597 2.098 3.326 . 0 0 "[ . 1 . 2]" 1
221 2 94 LYS HG2 2 97 GLN QE 3.700 . 5.100 3.914 1.932 6.089 0.989 4 2 "[ +. -1 . 2]" 1
222 2 53 GLN HE22 2 53 GLN HG3 3.000 . 4.100 3.673 3.441 4.098 . 0 0 "[ . 1 . 2]" 1
223 2 53 GLN HE21 2 53 GLN HG3 3.300 . 4.700 2.648 2.115 3.554 . 0 0 "[ . 1 . 2]" 1
224 2 53 GLN HE21 2 53 GLN HG2 3.500 . 5.000 3.043 2.179 3.554 . 0 0 "[ . 1 . 2]" 1
225 2 70 GLY H 2 70 GLY HA3 2.700 . 3.600 2.494 2.294 2.933 . 0 0 "[ . 1 . 2]" 1
226 2 69 GLU HG3 2 70 GLY H 3.100 . 4.300 4.089 2.760 5.170 0.870 20 4 "[ - . * * . +]" 1
227 2 15 GLN HE21 2 15 GLN HG2 2.700 . 3.600 2.807 2.137 3.538 . 0 0 "[ . 1 . 2]" 1
228 2 6 THR HA 2 8 SER H 3.300 . 4.600 4.216 3.925 4.438 . 0 0 "[ . 1 . 2]" 1
229 2 7 GLU HG2 2 8 SER H 3.400 . 4.900 4.847 4.094 5.378 0.478 8 0 "[ . 1 . 2]" 1
230 2 6 THR HG1 2 8 SER H 3.200 . 4.500 4.206 3.763 4.659 0.159 9 0 "[ . 1 . 2]" 1
231 2 91 ALA H 2 92 ASP HB2 3.300 . 4.700 4.529 4.223 4.995 0.295 16 0 "[ . 1 . 2]" 1
232 2 90 GLU HB3 2 91 ALA H 3.200 . 4.400 2.685 2.273 3.908 . 0 0 "[ . 1 . 2]" 1
233 2 6 THR HG1 2 9 GLN H 3.300 . 4.600 3.349 2.652 4.158 . 0 0 "[ . 1 . 2]" 1
234 2 29 GLY HA2 2 35 LYS H 3.300 . 6.000 4.978 4.217 6.066 0.066 6 0 "[ . 1 . 2]" 1
235 2 4 ARG QG 2 35 LYS H 2.400 . 6.000 4.489 3.311 5.135 . 0 0 "[ . 1 . 2]" 1
236 2 69 GLU H 2 69 GLU HA 2.700 . 3.600 2.895 2.781 2.947 . 0 0 "[ . 1 . 2]" 1
237 2 69 GLU H 2 69 GLU HG3 3.000 . 6.000 4.421 3.562 4.857 . 0 0 "[ . 1 . 2]" 1
238 2 68 PRO HB3 2 69 GLU H 2.800 . 6.000 3.862 3.020 4.677 . 0 0 "[ . 1 . 2]" 1
239 2 69 GLU H 2 69 GLU HB3 2.500 . 3.300 2.945 2.493 3.418 0.118 5 0 "[ . 1 . 2]" 1
240 2 69 GLU H 2 69 GLU HB2 2.500 . 3.300 2.509 2.044 3.289 . 0 0 "[ . 1 . 2]" 1
241 2 68 PRO HG2 2 69 GLU H 3.000 . 6.000 4.845 3.123 5.797 . 0 0 "[ . 1 . 2]" 1
242 2 91 ALA HA 2 93 ALA H 3.300 . 4.600 4.351 4.078 4.603 0.003 15 0 "[ . 1 . 2]" 1
243 2 69 GLU HA 2 71 TYR H 3.100 . 4.300 3.804 2.778 4.324 0.024 14 0 "[ . 1 . 2]" 1
244 2 89 TRP HA 2 93 ALA H 3.600 . 5.200 4.003 3.396 4.505 . 0 0 "[ . 1 . 2]" 1
245 2 92 ASP HB3 2 93 ALA H 2.900 . 4.000 2.773 2.397 3.193 . 0 0 "[ . 1 . 2]" 1
246 2 92 ASP HB2 2 93 ALA H 2.900 . 4.000 3.657 3.159 3.971 . 0 0 "[ . 1 . 2]" 1
247 2 93 ALA H 2 94 LYS HB2 3.200 . 6.000 4.648 4.258 5.086 . 0 0 "[ . 1 . 2]" 1
248 2 4 ARG H 2 59 TRP HH2 3.100 . 4.300 4.248 2.883 4.369 0.069 18 0 "[ . 1 . 2]" 1
249 2 6 THR HA 2 7 GLU H 2.500 . 3.300 2.397 2.305 2.539 . 0 0 "[ . 1 . 2]" 1
250 2 41 ALA H 2 42 THR HB 3.700 . 5.400 5.250 4.969 5.426 0.026 1 0 "[ . 1 . 2]" 1
251 2 39 THR HG1 2 40 PHE H 2.900 . 3.900 3.418 2.709 3.987 0.087 12 0 "[ . 1 . 2]" 1
252 2 98 GLU H 2 98 GLU HG3 2.900 . 6.000 3.712 2.419 4.681 . 0 0 "[ . 1 . 2]" 1
253 2 98 GLU H 2 98 GLU HB2 2.300 . 3.000 2.574 2.163 3.278 0.278 19 0 "[ . 1 . 2]" 1
254 2 98 GLU H 2 99 THR H 2.600 . 6.000 4.054 2.755 4.577 . 0 0 "[ . 1 . 2]" 1
255 2 47 THR HB 2 48 ARG H 2.700 . 3.600 2.841 2.341 3.645 0.045 15 0 "[ . 1 . 2]" 1
256 2 47 THR HA 2 48 ARG H 2.600 . 3.400 2.368 2.328 2.522 . 0 0 "[ . 1 . 2]" 1
257 2 48 ARG H 2 48 ARG HA 2.900 . 4.000 2.813 2.756 2.852 . 0 0 "[ . 1 . 2]" 1
258 2 48 ARG H 2 48 ARG HB3 2.700 . 3.600 3.192 2.136 3.627 0.027 9 0 "[ . 1 . 2]" 1
259 2 48 ARG H 2 48 ARG HG2 3.200 . 4.500 3.942 2.115 4.652 0.152 8 0 "[ . 1 . 2]" 1
260 2 47 THR HG1 2 48 ARG H 3.000 . 6.000 4.834 4.398 5.088 . 0 0 "[ . 1 . 2]" 1
261 2 46 LEU H 2 46 LEU HA 2.900 . 4.000 2.915 2.846 2.937 . 0 0 "[ . 1 . 2]" 1
262 2 92 ASP HA 2 96 LYS H 3.700 . 5.400 4.571 4.015 5.418 0.018 10 0 "[ . 1 . 2]" 1
263 2 93 ALA HA 2 96 LYS H 3.000 . 4.200 3.472 3.166 3.918 . 0 0 "[ . 1 . 2]" 1
264 2 92 ASP H 2 92 ASP HB2 2.700 . 3.600 2.343 2.104 2.611 . 0 0 "[ . 1 . 2]" 1
265 2 92 ASP H 2 92 ASP HB3 2.700 . 3.600 2.822 2.432 3.357 . 0 0 "[ . 1 . 2]" 1
266 2 28 ARG H 2 28 ARG HB3 2.600 . 3.500 2.893 2.476 3.575 0.075 13 0 "[ . 1 . 2]" 1
267 2 26 ILE HG13 2 28 ARG H 3.300 . 6.000 5.871 5.544 6.938 0.938 6 2 "[- .+ 1 . 2]" 1
268 2 28 ARG H 2 28 ARG HG2 3.500 . 5.000 4.370 3.678 4.674 . 0 0 "[ . 1 . 2]" 1
269 2 10 PHE HZ 2 28 ARG H 3.000 . 4.100 3.385 2.799 3.698 . 0 0 "[ . 1 . 2]" 1
270 2 46 LEU H 2 46 LEU HB3 2.800 . 3.800 3.592 3.411 3.761 . 0 0 "[ . 1 . 2]" 1
271 2 45 GLY H 2 46 LEU H 2.500 . 3.300 2.371 2.192 2.555 . 0 0 "[ . 1 . 2]" 1
272 2 93 ALA HA 2 95 LYS H 3.500 . 5.000 4.156 3.709 4.544 . 0 0 "[ . 1 . 2]" 1
273 2 95 LYS H 2 95 LYS HB3 2.100 . 6.000 2.811 2.285 3.467 . 0 0 "[ . 1 . 2]" 1
274 2 95 LYS H 2 95 LYS HB2 2.800 . 3.800 2.340 2.077 2.689 . 0 0 "[ . 1 . 2]" 1
275 2 95 LYS H 2 95 LYS HG3 2.800 . 6.000 4.144 2.967 4.586 . 0 0 "[ . 1 . 2]" 1
276 2 94 LYS HD3 2 95 LYS H 2.800 . 6.000 5.448 3.574 6.643 0.643 4 2 "[ +. 1 - . 2]" 1
277 2 58 VAL HA 2 61 ALA H 3.100 . 4.300 3.507 3.297 3.738 . 0 0 "[ . 1 . 2]" 1
278 2 61 ALA H 2 62 PHE HB2 3.700 . 5.400 5.032 4.741 5.271 . 0 0 "[ . 1 . 2]" 1
279 2 61 ALA H 2 61 ALA HA 2.600 . 3.400 2.825 2.799 2.848 . 0 0 "[ . 1 . 2]" 1
280 2 60 ALA HA 2 61 ALA H 3.000 . 4.100 3.514 3.497 3.537 . 0 0 "[ . 1 . 2]" 1
281 2 61 ALA H 2 62 PHE H 2.800 . 3.800 2.619 2.492 2.744 . 0 0 "[ . 1 . 2]" 1
282 2 60 ALA H 2 61 ALA H 2.800 . 3.800 2.638 2.577 2.700 . 0 0 "[ . 1 . 2]" 1
283 2 19 VAL HB 2 21 GLN H 2.500 . 6.000 5.811 5.542 6.004 0.004 9 0 "[ . 1 . 2]" 1
284 2 25 GLU H 2 25 GLU HG2 2.900 . 3.900 3.343 2.194 4.503 0.603 6 1 "[ .+ 1 . 2]" 1
285 2 25 GLU H 2 25 GLU QB 2.500 . 3.300 2.186 2.016 2.464 . 0 0 "[ . 1 . 2]" 1
286 2 24 ILE QG 2 25 GLU H 3.200 . 4.500 4.038 3.943 4.183 . 0 0 "[ . 1 . 2]" 1
287 2 97 GLN H 2 98 GLU H 2.700 . 3.600 2.198 1.940 2.392 . 0 0 "[ . 1 . 2]" 1
288 2 95 LYS H 2 97 GLN H 3.700 . 5.400 4.151 3.862 4.476 . 0 0 "[ . 1 . 2]" 1
289 2 97 GLN H 2 98 GLU HA 3.400 . 4.900 4.740 4.323 4.954 0.054 12 0 "[ . 1 . 2]" 1
290 2 97 GLN H 2 97 GLN HG3 2.700 . 3.600 2.684 1.763 4.527 0.927 6 2 "[ .+ - . 2]" 1
291 2 97 GLN H 2 98 GLU HB2 2.500 . 6.000 4.299 3.748 5.269 . 0 0 "[ . 1 . 2]" 1
292 2 51 VAL H 2 52 SER H 2.700 . 3.600 2.665 2.559 2.748 . 0 0 "[ . 1 . 2]" 1
293 2 48 ARG HA 2 51 VAL H 3.000 . 4.100 3.571 3.230 3.808 . 0 0 "[ . 1 . 2]" 1
294 2 38 ALA H 2 39 THR HG1 3.600 . 5.300 4.562 4.098 5.309 0.009 16 0 "[ . 1 . 2]" 1
295 2 31 LEU H 2 32 VAL H 3.000 . 4.100 2.369 2.103 2.615 . 0 0 "[ . 1 . 2]" 1
296 2 5 LEU H 2 32 VAL H 2.200 . 6.000 4.289 3.776 4.616 . 0 0 "[ . 1 . 2]" 1
297 2 28 ARG HA 2 32 VAL H 3.100 . 4.300 3.430 2.819 3.965 . 0 0 "[ . 1 . 2]" 1
298 2 28 ARG HB3 2 32 VAL H 3.700 . 6.000 5.738 5.450 6.019 0.019 16 0 "[ . 1 . 2]" 1
299 2 62 PHE H 2 63 GLU HB2 3.500 . 5.000 4.762 4.324 5.018 0.018 11 0 "[ . 1 . 2]" 1
300 2 57 ARG H 2 57 ARG HG2 3.700 . 5.400 4.327 2.888 4.637 . 0 0 "[ . 1 . 2]" 1
301 2 57 ARG H 2 57 ARG QB 2.600 . 3.400 2.155 2.044 2.273 . 0 0 "[ . 1 . 2]" 1
302 2 56 HIS HA 2 57 ARG H 3.200 . 4.400 3.548 3.519 3.577 . 0 0 "[ . 1 . 2]" 1
303 2 54 ALA HA 2 57 ARG H 3.000 . 4.100 3.523 3.296 3.817 . 0 0 "[ . 1 . 2]" 1
304 2 57 ARG H 2 57 ARG HA 2.600 . 3.400 2.826 2.788 2.865 . 0 0 "[ . 1 . 2]" 1
305 2 53 GLN H 2 57 ARG H 2.100 . 6.000 5.907 5.820 6.030 0.030 12 0 "[ . 1 . 2]" 1
306 2 57 ARG H 2 58 VAL H 2.800 . 3.800 2.740 2.632 2.889 . 0 0 "[ . 1 . 2]" 1
307 2 66 ASN H 2 66 ASN HD21 3.300 . 4.600 3.478 2.231 4.362 . 0 0 "[ . 1 . 2]" 1
308 2 66 ASN H 2 66 ASN HA 2.600 . 3.500 2.899 2.840 2.944 . 0 0 "[ . 1 . 2]" 1
309 2 66 ASN H 2 66 ASN HB3 2.800 . 3.800 3.057 2.085 3.748 . 0 0 "[ . 1 . 2]" 1
310 2 66 ASN H 2 66 ASN HB2 2.700 . 3.600 2.597 2.108 3.806 0.206 4 0 "[ . 1 . 2]" 1
311 2 65 LYS HG2 2 66 ASN H 3.500 . 5.000 4.914 3.848 5.672 0.672 1 4 "[+ - . 1 *.* 2]" 1
312 2 44 LEU H 2 44 LEU HB3 2.500 . 6.000 3.485 3.192 3.667 . 0 0 "[ . 1 . 2]" 1
313 2 44 LEU H 2 44 LEU HB2 2.700 . 3.600 2.281 2.094 2.518 . 0 0 "[ . 1 . 2]" 1
314 2 44 LEU H 2 46 LEU H 3.300 . 4.700 3.658 3.404 3.899 . 0 0 "[ . 1 . 2]" 1
315 2 63 GLU HB2 2 64 ASP H 3.000 . 4.100 3.295 2.629 3.924 . 0 0 "[ . 1 . 2]" 1
316 2 63 GLU HB3 2 64 ASP H 3.300 . 4.600 3.117 2.423 3.833 . 0 0 "[ . 1 . 2]" 1
317 2 65 LYS H 2 66 ASN HA 3.700 . 5.400 5.108 4.930 5.245 . 0 0 "[ . 1 . 2]" 1
318 2 65 LYS H 2 66 ASN HB2 3.700 . 5.400 4.761 4.126 6.247 0.847 4 2 "[ +. 1 - 2]" 1
319 2 65 LYS H 2 65 LYS HB3 2.700 . 3.600 3.101 2.406 3.621 0.021 11 0 "[ . 1 . 2]" 1
320 2 65 LYS H 2 65 LYS HB2 2.600 . 3.500 2.315 2.064 2.642 . 0 0 "[ . 1 . 2]" 1
321 2 65 LYS H 2 65 LYS HG2 2.900 . 6.000 4.204 2.993 4.575 . 0 0 "[ . 1 . 2]" 1
322 2 56 HIS HA 2 58 VAL H 3.700 . 5.400 4.878 4.667 5.035 . 0 0 "[ . 1 . 2]" 1
323 2 54 ALA HA 2 58 VAL H 3.500 . 5.100 3.820 3.664 3.924 . 0 0 "[ . 1 . 2]" 1
324 2 58 VAL H 2 58 VAL HA 2.900 . 4.000 2.840 2.818 2.864 . 0 0 "[ . 1 . 2]" 1
325 2 55 VAL HA 2 58 VAL H 3.500 . 5.000 4.013 3.745 4.258 . 0 0 "[ . 1 . 2]" 1
326 2 56 HIS HB2 2 58 VAL H 3.300 . 6.000 5.672 5.238 6.274 0.274 16 0 "[ . 1 . 2]" 1
327 2 57 ARG HG2 2 58 VAL H 3.300 . 4.700 4.743 4.390 5.100 0.400 10 0 "[ . 1 . 2]" 1
328 2 86 VAL HB 2 87 ARG H 3.100 . 4.300 2.747 2.597 2.866 . 0 0 "[ . 1 . 2]" 1
329 2 87 ARG H 2 87 ARG HB3 2.600 . 3.400 3.096 2.362 3.606 0.206 19 0 "[ . 1 . 2]" 1
330 2 85 ILE HB 2 87 ARG H 2.900 . 6.000 5.164 4.961 5.269 . 0 0 "[ . 1 . 2]" 1
331 2 53 GLN HA 2 56 HIS H 3.000 . 4.100 3.600 3.367 3.843 . 0 0 "[ . 1 . 2]" 1
332 2 4 ARG QG 2 33 ASP H 3.700 . 5.400 4.856 4.013 5.275 . 0 0 "[ . 1 . 2]" 1
333 2 43 SER H 2 43 SER QB 2.400 . 3.100 2.389 2.220 2.900 . 0 0 "[ . 1 . 2]" 1
334 2 42 THR HG1 2 43 SER H 2.900 . 6.000 4.425 4.005 4.939 . 0 0 "[ . 1 . 2]" 1
335 2 10 PHE HB3 2 11 GLN H 3.200 . 4.500 2.511 2.350 2.691 . 0 0 "[ . 1 . 2]" 1
336 2 10 PHE HB2 2 11 GLN H 3.000 . 4.100 3.830 3.699 3.972 . 0 0 "[ . 1 . 2]" 1
337 2 84 TYR H 2 84 TYR HB2 2.700 . 3.600 2.592 2.403 2.729 . 0 0 "[ . 1 . 2]" 1
338 2 84 TYR H 2 84 TYR HB3 2.700 . 3.600 2.451 2.286 2.718 . 0 0 "[ . 1 . 2]" 1
339 2 81 HIS HA 2 84 TYR H 3.400 . 4.900 3.814 3.553 4.096 . 0 0 "[ . 1 . 2]" 1
340 2 84 TYR H 2 84 TYR HA 2.800 . 3.800 2.771 2.750 2.795 . 0 0 "[ . 1 . 2]" 1
341 2 83 ALA HA 2 84 TYR H 3.200 . 4.500 3.467 3.446 3.491 . 0 0 "[ . 1 . 2]" 1
342 2 83 ALA H 2 84 TYR H 3.000 . 4.100 2.672 2.606 2.766 . 0 0 "[ . 1 . 2]" 1
343 2 84 TYR H 2 87 ARG H 2.400 . 6.000 4.790 4.636 4.992 . 0 0 "[ . 1 . 2]" 1
344 2 84 TYR H 2 85 ILE H 3.200 . 4.500 2.794 2.721 2.840 . 0 0 "[ . 1 . 2]" 1
345 2 98 GLU HB3 2 99 THR H 3.100 . 4.300 3.551 2.284 4.391 0.091 12 0 "[ . 1 . 2]" 1
346 2 99 THR H 2 100 LYS H 2.900 . 3.900 3.245 1.906 3.963 0.063 9 0 "[ . 1 . 2]" 1
347 2 99 THR HB 2 100 LYS H 3.000 . 4.100 3.888 2.019 4.346 0.246 13 0 "[ . 1 . 2]" 1
348 2 49 GLY H 2 52 SER HB2 4.000 . 6.000 5.416 4.943 6.971 0.971 12 2 "[ . 1-+ . 2]" 1
349 2 57 ARG H 2 58 VAL HA 4.400 . 6.000 5.326 5.239 5.428 . 0 0 "[ . 1 . 2]" 1
350 2 63 GLU H 2 64 ASP H 3.000 . 4.100 2.632 2.508 2.791 . 0 0 "[ . 1 . 2]" 1
351 2 74 VAL H 2 75 THR H 3.600 . 5.200 4.521 4.303 4.596 . 0 0 "[ . 1 . 2]" 1
352 2 54 ALA H 2 54 ALA HA 2.600 . 3.400 2.830 2.800 2.857 . 0 0 "[ . 1 . 2]" 1
353 2 52 SER HB2 2 54 ALA H 3.600 . 6.000 5.314 5.130 5.919 . 0 0 "[ . 1 . 2]" 1
354 2 51 VAL HA 2 54 ALA H 3.200 . 4.500 3.597 3.443 3.734 . 0 0 "[ . 1 . 2]" 1
355 2 53 GLN HG3 2 54 ALA H 3.900 . 5.800 4.861 4.362 5.301 . 0 0 "[ . 1 . 2]" 1
356 2 53 GLN HG2 2 54 ALA H 3.800 . 5.600 4.472 3.311 5.168 . 0 0 "[ . 1 . 2]" 1
357 2 53 GLN HB3 2 54 ALA H 2.700 . 3.600 2.737 2.497 3.065 . 0 0 "[ . 1 . 2]" 1
358 2 88 LYS H 2 89 TRP HB3 2.700 . 6.000 5.921 5.718 6.155 0.155 4 0 "[ . 1 . 2]" 1
359 2 88 LYS H 2 88 LYS HB3 2.700 . 3.600 3.078 2.230 3.640 0.040 19 0 "[ . 1 . 2]" 1
360 2 19 VAL H 2 19 VAL HA 2.600 . 3.500 2.932 2.922 2.941 . 0 0 "[ . 1 . 2]" 1
361 2 23 THR H 2 23 THR HB 2.500 . 3.300 3.147 2.598 3.460 0.160 12 0 "[ . 1 . 2]" 1
362 2 21 GLN HA 2 23 THR H 3.700 . 5.400 4.361 4.118 4.582 . 0 0 "[ . 1 . 2]" 1
363 2 23 THR H 2 23 THR HA 2.800 . 3.800 2.818 2.781 2.883 . 0 0 "[ . 1 . 2]" 1
364 2 94 LYS H 2 94 LYS HA 2.600 . 3.400 2.848 2.816 2.875 . 0 0 "[ . 1 . 2]" 1
365 1 72 ALA H 2 78 LEU H 3.500 . 5.100 4.019 3.077 4.855 . 0 0 "[ . 1 . 2]" 1
366 2 10 PHE H 2 10 PHE HB2 2.500 . 3.300 2.534 2.297 2.716 . 0 0 "[ . 1 . 2]" 1
367 2 59 TRP HE3 2 60 ALA H 3.900 . 5.800 5.849 5.805 5.902 0.102 16 0 "[ . 1 . 2]" 1
368 2 85 ILE H 2 87 ARG H 4.400 . 6.000 4.058 3.826 4.208 . 0 0 "[ . 1 . 2]" 1
369 2 88 LYS H 2 91 ALA H 4.000 . 6.000 5.051 4.581 5.589 . 0 0 "[ . 1 . 2]" 1
370 2 93 ALA H 2 94 LYS H 2.700 . 3.600 2.576 2.378 2.737 . 0 0 "[ . 1 . 2]" 1
371 2 93 ALA H 2 95 LYS H 3.100 . 4.300 3.886 3.615 4.193 . 0 0 "[ . 1 . 2]" 1
372 2 6 THR H 2 6 THR HB 3.500 . 5.000 3.423 2.830 3.682 . 0 0 "[ . 1 . 2]" 1
373 2 10 PHE HA 2 11 GLN H 3.100 . 4.300 3.545 3.515 3.570 . 0 0 "[ . 1 . 2]" 1
374 2 15 GLN H 2 15 GLN HA 2.700 . 3.600 2.664 2.270 2.894 . 0 0 "[ . 1 . 2]" 1
375 2 33 ASP H 2 34 GLY HA3 3.400 . 4.900 4.957 4.876 5.017 0.117 8 0 "[ . 1 . 2]" 1
376 2 32 VAL H 2 33 ASP HB3 4.000 . 6.000 5.104 4.513 5.575 . 0 0 "[ . 1 . 2]" 1
377 2 42 THR HB 2 43 SER H 2.600 . 3.400 2.842 2.586 3.143 . 0 0 "[ . 1 . 2]" 1
378 2 43 SER H 2 43 SER HA 2.500 . 3.300 2.842 2.795 2.890 . 0 0 "[ . 1 . 2]" 1
379 2 45 GLY HA3 2 46 LEU H 2.300 . 6.000 3.463 3.223 3.531 . 0 0 "[ . 1 . 2]" 1
380 2 47 THR H 2 50 ALA HA 3.900 . 5.800 5.478 5.069 5.839 0.039 19 0 "[ . 1 . 2]" 1
381 2 54 ALA HA 2 59 TRP H 2.900 . 6.000 6.087 6.031 6.135 0.135 17 0 "[ . 1 . 2]" 1
382 2 61 ALA H 2 62 PHE HB3 3.900 . 5.800 4.800 4.442 5.162 . 0 0 "[ . 1 . 2]" 1
383 2 69 GLU HB2 2 71 TYR H 3.500 . 6.000 5.052 4.532 6.006 0.006 4 0 "[ . 1 . 2]" 1
384 2 75 THR H 2 75 THR HB 2.800 . 3.800 2.915 2.544 3.608 . 0 0 "[ . 1 . 2]" 1
385 2 74 VAL HA 2 75 THR H 2.300 . 3.000 2.182 2.093 2.267 . 0 0 "[ . 1 . 2]" 1
386 2 74 VAL HB 2 75 THR H 2.900 . 4.000 3.027 2.738 3.545 . 0 0 "[ . 1 . 2]" 1
387 2 75 THR H 2 75 THR HG1 2.900 . 3.900 2.716 2.173 3.669 . 0 0 "[ . 1 . 2]" 1
388 2 58 VAL HA 2 59 TRP H 3.500 . 5.000 3.554 3.541 3.573 . 0 0 "[ . 1 . 2]" 1
389 2 59 TRP H 2 59 TRP HB3 3.500 . 5.100 2.752 2.617 2.889 . 0 0 "[ . 1 . 2]" 1
390 2 58 VAL HB 2 59 TRP H 2.900 . 4.000 2.662 2.537 2.782 . 0 0 "[ . 1 . 2]" 1
391 2 56 HIS HA 2 59 TRP H 3.200 . 4.500 4.098 3.815 4.509 0.009 4 0 "[ . 1 . 2]" 1
392 2 11 GLN H 2 14 ILE HG12 3.900 . 5.800 4.413 4.083 4.681 . 0 0 "[ . 1 . 2]" 1
393 2 90 GLU H 2 90 GLU HB3 2.900 . 4.000 2.770 2.235 3.605 . 0 0 "[ . 1 . 2]" 1
394 2 88 LYS HB3 2 89 TRP H 3.000 . 4.100 3.101 2.481 3.921 . 0 0 "[ . 1 . 2]" 1
395 2 59 TRP HE1 2 63 GLU HB2 3.300 . 6.000 4.855 3.506 6.015 0.015 17 0 "[ . 1 . 2]" 1
396 2 99 THR HG1 2 100 LYS H 3.200 . 6.000 4.548 3.236 5.724 . 0 0 "[ . 1 . 2]" 1
397 2 66 ASN H 2 66 ASN HD22 3.700 . 5.400 4.796 3.191 5.586 0.186 19 0 "[ . 1 . 2]" 1
398 2 22 GLN HA 2 26 ILE H 3.600 . 5.200 4.335 3.541 4.896 . 0 0 "[ . 1 . 2]" 1
399 2 94 LYS H 2 94 LYS HB2 2.300 . 3.000 2.298 2.079 2.600 . 0 0 "[ . 1 . 2]" 1
400 2 92 ASP HB2 2 94 LYS H 3.900 . 5.800 5.596 5.266 5.895 0.095 9 0 "[ . 1 . 2]" 1
401 2 27 ALA HA 2 30 VAL H 2.900 . 3.900 3.215 2.982 3.411 . 0 0 "[ . 1 . 2]" 1
402 2 66 ASN HB3 2 66 ASN HD21 3.100 . 4.300 3.040 2.157 3.549 . 0 0 "[ . 1 . 2]" 1
403 2 66 ASN HA 2 66 ASN HD21 3.700 . 5.400 3.511 1.841 4.550 0.159 11 0 "[ . 1 . 2]" 1
404 2 66 ASN HA 2 66 ASN HD22 3.800 . 5.600 4.200 3.238 5.113 . 0 0 "[ . 1 . 2]" 1
405 2 4 ARG QB 2 4 ARG HE 4.300 . 6.000 2.243 1.939 2.500 0.061 9 0 "[ . 1 . 2]" 1
406 2 80 GLU HB3 2 81 HIS H 3.900 . 5.800 3.667 2.791 4.365 . 0 0 "[ . 1 . 2]" 1
407 2 5 LEU H 2 31 LEU HA 3.300 . 4.600 4.090 3.556 4.531 . 0 0 "[ . 1 . 2]" 1
408 2 4 ARG HD2 2 5 LEU H 4.000 . 6.000 5.240 2.294 6.116 0.116 7 0 "[ . 1 . 2]" 1
409 2 95 LYS QE 2 96 LYS H 4.000 . 6.000 4.697 3.191 5.616 . 0 0 "[ . 1 . 2]" 1
410 2 60 ALA H 2 62 PHE H 4.300 . 6.000 4.142 3.926 4.411 . 0 0 "[ . 1 . 2]" 1
411 2 81 HIS H 2 82 GLN H 4.000 . 6.000 2.684 2.473 2.959 . 0 0 "[ . 1 . 2]" 1
412 2 58 VAL HA 2 60 ALA H 3.900 . 5.800 4.481 4.307 4.738 . 0 0 "[ . 1 . 2]" 1
413 1 14 ILE HA 1 15 GLN H 2.400 . 6.000 3.380 3.190 3.536 . 0 0 "[ . 1 . 2]" 1
414 1 15 GLN H 1 17 LEU H 3.600 . 5.300 4.242 3.706 4.802 . 0 0 "[ . 1 . 2]" 1
415 1 101 ARG H 1 101 ARG QG 3.100 . 4.300 3.142 2.462 3.620 . 0 0 "[ . 1 . 2]" 1
416 1 101 ARG H 1 101 ARG HG3 2.800 . 3.700 3.583 2.507 4.514 0.814 18 3 "[ . - *1 . + 2]" 1
417 1 100 LYS HB2 1 101 ARG H 3.200 . 4.500 3.906 2.174 4.510 0.010 17 0 "[ . 1 . 2]" 1
418 1 101 ARG H 1 101 ARG HA 2.800 . 3.800 2.865 2.260 2.947 . 0 0 "[ . 1 . 2]" 1
419 1 100 LYS HA 1 101 ARG H 2.200 . 2.800 2.280 2.108 2.661 . 0 0 "[ . 1 . 2]" 1
420 1 100 LYS H 1 101 ARG H 3.400 . 4.800 4.129 2.850 4.596 . 0 0 "[ . 1 . 2]" 1
421 1 17 LEU HA 1 18 GLU H 2.500 . 3.300 2.226 2.108 2.354 . 0 0 "[ . 1 . 2]" 1
422 1 18 GLU H 1 18 GLU HA 2.800 . 3.800 2.909 2.878 2.942 . 0 0 "[ . 1 . 2]" 1
423 1 18 GLU H 1 18 GLU HG3 3.000 . 4.100 3.168 1.698 4.131 0.202 14 0 "[ . 1 . 2]" 1
424 1 18 GLU H 1 18 GLU HB3 2.800 . 3.800 3.452 2.954 3.676 . 0 0 "[ . 1 . 2]" 1
425 1 17 LEU HB3 1 18 GLU H 3.100 . 4.300 3.062 2.598 3.726 . 0 0 "[ . 1 . 2]" 1
426 1 50 ALA H 1 52 SER H 3.500 . 5.100 4.041 3.891 4.246 . 0 0 "[ . 1 . 2]" 1
427 1 50 ALA H 1 51 VAL H 2.800 . 3.800 2.562 2.373 2.820 . 0 0 "[ . 1 . 2]" 1
428 1 49 GLY HA3 1 50 ALA H 2.800 . 3.800 2.892 2.758 3.007 . 0 0 "[ . 1 . 2]" 1
429 1 2 LYS HA 1 3 LYS H 2.300 . 3.000 2.407 2.052 3.081 0.081 4 0 "[ . 1 . 2]" 1
430 1 3 LYS H 1 3 LYS HA 3.000 . 4.100 2.900 2.822 2.950 . 0 0 "[ . 1 . 2]" 1
431 1 2 LYS HB3 1 3 LYS H 3.000 . 4.100 3.355 1.540 4.369 0.360 1 0 "[ . 1 . 2]" 1
432 1 2 LYS HG2 1 3 LYS H 3.700 . 5.400 4.035 2.406 5.200 . 0 0 "[ . 1 . 2]" 1
433 1 3 LYS H 1 3 LYS HB3 2.900 . 3.900 3.347 2.524 3.720 . 0 0 "[ . 1 . 2]" 1
434 1 3 LYS H 1 3 LYS HB2 3.100 . 4.300 2.540 2.111 3.152 . 0 0 "[ . 1 . 2]" 1
435 1 3 LYS H 1 3 LYS HD3 3.000 . 6.000 5.009 2.991 5.900 . 0 0 "[ . 1 . 2]" 1
436 1 3 LYS H 1 3 LYS HG2 3.300 . 4.700 3.960 2.339 4.918 0.218 8 0 "[ . 1 . 2]" 1
437 1 14 ILE HG12 1 15 GLN H 3.100 . 4.300 3.482 2.619 4.303 0.003 20 0 "[ . 1 . 2]" 1
438 1 14 ILE HG13 1 15 GLN H 3.000 . 4.100 2.595 1.896 2.966 0.004 2 0 "[ . 1 . 2]" 1
439 1 15 GLN H 1 15 GLN HG2 2.600 . 6.000 4.457 4.066 5.087 . 0 0 "[ . 1 . 2]" 1
440 1 15 GLN H 1 15 GLN HB2 2.300 . 2.900 2.371 2.007 2.908 0.008 2 0 "[ . 1 . 2]" 1
441 1 14 ILE HB 1 15 GLN H 3.300 . 4.700 4.029 3.533 4.256 . 0 0 "[ . 1 . 2]" 1
442 1 14 ILE H 1 15 GLN H 2.600 . 3.400 2.483 2.091 2.668 . 0 0 "[ . 1 . 2]" 1
443 1 15 GLN H 1 16 GLY H 3.500 . 5.100 3.345 2.500 4.454 . 0 0 "[ . 1 . 2]" 1
444 1 36 PRO HA 1 37 GLN H 2.800 . 3.800 2.274 2.099 3.421 . 0 0 "[ . 1 . 2]" 1
445 1 66 ASN H 1 67 LEU H 3.000 . 4.100 2.454 2.205 2.968 . 0 0 "[ . 1 . 2]" 1
446 1 66 ASN HA 1 67 LEU H 2.500 . 3.300 3.226 2.693 3.513 0.213 1 0 "[ . 1 . 2]" 1
447 1 64 ASP HA 1 67 LEU H 3.700 . 5.400 3.851 3.130 5.434 0.034 1 0 "[ . 1 . 2]" 1
448 1 66 ASN QB 1 67 LEU H 3.400 . 4.900 3.391 2.071 4.008 . 0 0 "[ . 1 . 2]" 1
449 1 65 LYS HA 1 67 LEU H 3.900 . 5.800 3.761 3.319 5.897 0.097 1 0 "[ . 1 . 2]" 1
450 1 67 LEU H 1 67 LEU HA 3.000 . 4.100 2.657 2.246 2.950 . 0 0 "[ . 1 . 2]" 1
451 1 13 ALA H 1 14 ILE H 2.900 . 3.900 2.664 2.534 2.836 . 0 0 "[ . 1 . 2]" 1
452 1 14 ILE H 1 14 ILE HA 2.900 . 3.900 2.883 2.827 2.948 . 0 0 "[ . 1 . 2]" 1
453 1 12 GLU HB2 1 14 ILE H 3.400 . 6.000 5.306 4.931 5.595 . 0 0 "[ . 1 . 2]" 1
454 1 14 ILE H 1 14 ILE HB 3.100 . 4.300 3.658 3.616 3.722 . 0 0 "[ . 1 . 2]" 1
455 1 14 ILE H 1 14 ILE HG12 2.700 . 3.600 2.191 1.971 2.452 . 0 0 "[ . 1 . 2]" 1
456 1 14 ILE H 1 14 ILE HG13 2.700 . 3.600 2.723 2.260 3.140 . 0 0 "[ . 1 . 2]" 1
457 1 32 VAL H 1 34 GLY H 3.300 . 4.700 3.725 3.428 4.188 . 0 0 "[ . 1 . 2]" 1
458 1 32 VAL HA 1 34 GLY H 3.600 . 5.200 4.245 3.921 4.692 . 0 0 "[ . 1 . 2]" 1
459 1 33 ASP HA 1 34 GLY H 3.100 . 4.300 3.414 3.310 3.520 . 0 0 "[ . 1 . 2]" 1
460 1 34 GLY H 1 35 LYS HA 3.200 . 6.000 4.957 4.255 5.228 . 0 0 "[ . 1 . 2]" 1
461 1 33 ASP H 1 34 GLY H 2.900 . 3.900 2.302 2.233 2.492 . 0 0 "[ . 1 . 2]" 1
462 1 34 GLY H 1 35 LYS H 2.700 . 3.600 2.469 2.046 2.841 . 0 0 "[ . 1 . 2]" 1
463 1 33 ASP HB2 1 34 GLY H 3.200 . 4.500 3.907 3.555 4.276 . 0 0 "[ . 1 . 2]" 1
464 1 33 ASP HB3 1 34 GLY H 3.400 . 4.800 3.147 2.646 3.484 . 0 0 "[ . 1 . 2]" 1
465 1 29 GLY H 1 29 GLY HA2 2.700 . 3.600 2.947 2.899 2.960 . 0 0 "[ . 1 . 2]" 1
466 1 28 ARG HB3 1 29 GLY H 2.900 . 3.900 2.990 2.667 3.612 . 0 0 "[ . 1 . 2]" 1
467 1 29 GLY H 1 29 GLY HA3 2.700 . 3.600 2.411 2.335 2.449 . 0 0 "[ . 1 . 2]" 1
468 1 28 ARG HA 1 29 GLY H 3.300 . 4.700 3.497 3.473 3.526 . 0 0 "[ . 1 . 2]" 1
469 1 26 ILE HA 1 29 GLY H 3.600 . 5.300 3.722 3.519 3.930 . 0 0 "[ . 1 . 2]" 1
470 1 46 LEU HA 1 47 THR H 2.500 . 3.300 2.394 2.275 2.538 . 0 0 "[ . 1 . 2]" 1
471 1 47 THR H 1 47 THR HA 2.900 . 4.000 2.888 2.847 2.929 . 0 0 "[ . 1 . 2]" 1
472 1 46 LEU HB3 1 47 THR H 2.700 . 3.600 2.533 2.236 2.818 . 0 0 "[ . 1 . 2]" 1
473 1 46 LEU HB2 1 47 THR H 2.400 . 6.000 3.686 3.110 4.032 . 0 0 "[ . 1 . 2]" 1
474 1 19 VAL H 1 20 GLY H 3.100 . 4.300 4.350 4.239 4.406 0.106 16 0 "[ . 1 . 2]" 1
475 1 45 GLY H 1 46 LEU HA 3.500 . 5.000 4.993 4.873 5.086 0.086 11 0 "[ . 1 . 2]" 1
476 1 19 VAL HA 1 20 GLY H 2.400 . 3.100 2.178 2.063 2.413 . 0 0 "[ . 1 . 2]" 1
477 1 18 GLU HA 1 20 GLY H 3.600 . 6.000 5.971 5.732 6.239 0.239 10 0 "[ . 1 . 2]" 1
478 1 20 GLY H 1 20 GLY HA3 2.700 . 3.600 2.295 2.285 2.322 . 0 0 "[ . 1 . 2]" 1
479 1 20 GLY H 1 20 GLY HA2 2.600 . 3.400 2.835 2.793 2.894 . 0 0 "[ . 1 . 2]" 1
480 1 19 VAL HB 1 20 GLY H 2.700 . 3.600 2.920 2.104 3.434 . 0 0 "[ . 1 . 2]" 1
481 1 43 SER H 1 45 GLY H 3.700 . 5.400 3.765 3.662 3.858 . 0 0 "[ . 1 . 2]" 1
482 1 44 LEU HA 1 45 GLY H 3.000 . 4.100 3.380 3.237 3.494 . 0 0 "[ . 1 . 2]" 1
483 1 45 GLY H 1 45 GLY HA2 2.200 . 2.800 2.340 2.301 2.377 . 0 0 "[ . 1 . 2]" 1
484 1 44 LEU HB3 1 45 GLY H 3.100 . 4.300 3.793 3.241 4.197 . 0 0 "[ . 1 . 2]" 1
485 1 44 LEU HB2 1 45 GLY H 3.000 . 4.100 3.416 3.107 3.682 . 0 0 "[ . 1 . 2]" 1
486 1 45 GLY H 1 46 LEU HB2 3.400 . 4.900 4.462 4.072 4.902 0.002 14 0 "[ . 1 . 2]" 1
487 1 38 ALA H 1 39 THR H 3.200 . 4.500 2.704 2.592 2.860 . 0 0 "[ . 1 . 2]" 1
488 1 39 THR H 1 41 ALA H 3.500 . 5.000 4.119 3.882 4.549 . 0 0 "[ . 1 . 2]" 1
489 1 38 ALA HA 1 39 THR H 3.100 . 4.300 3.525 3.459 3.569 . 0 0 "[ . 1 . 2]" 1
490 1 39 THR H 1 39 THR HA 2.600 . 3.400 2.821 2.791 2.869 . 0 0 "[ . 1 . 2]" 1
491 1 39 THR H 1 39 THR HB 2.600 . 3.400 3.083 2.611 3.535 0.135 9 0 "[ . 1 . 2]" 1
492 1 39 THR H 1 40 PHE HB3 3.500 . 6.000 5.471 4.899 6.282 0.282 11 0 "[ . 1 . 2]" 1
493 1 5 LEU HA 1 6 THR H 2.600 . 3.500 2.314 2.160 2.510 . 0 0 "[ . 1 . 2]" 1
494 1 6 THR H 1 9 GLN HA 3.600 . 6.000 5.709 5.263 6.091 0.091 11 0 "[ . 1 . 2]" 1
495 1 41 ALA H 1 42 THR H 2.600 . 3.400 2.765 2.658 2.905 . 0 0 "[ . 1 . 2]" 1
496 1 40 PHE HA 1 42 THR H 3.600 . 5.200 4.574 4.176 4.777 . 0 0 "[ . 1 . 2]" 1
497 1 42 THR H 1 42 THR HB 2.400 . 3.100 2.756 2.470 2.955 . 0 0 "[ . 1 . 2]" 1
498 1 42 THR H 1 42 THR HA 2.400 . 3.100 2.832 2.792 2.860 . 0 0 "[ . 1 . 2]" 1
499 1 41 ALA HA 1 42 THR H 2.800 . 3.800 3.559 3.525 3.580 . 0 0 "[ . 1 . 2]" 1
500 1 69 GLU H 1 70 GLY H 3.500 . 5.000 4.351 3.953 4.592 . 0 0 "[ . 1 . 2]" 1
501 1 70 GLY H 1 71 TYR H 2.900 . 3.900 2.519 1.955 3.560 . 0 0 "[ . 1 . 2]" 1
502 1 69 GLU HA 1 70 GLY H 2.400 . 3.100 2.230 2.128 2.909 . 0 0 "[ . 1 . 2]" 1
503 1 69 GLU QB 1 70 GLY H 3.100 . 4.300 3.495 1.873 4.023 0.027 17 0 "[ . 1 . 2]" 1
504 1 7 GLU H 1 8 SER H 2.900 . 3.900 2.684 2.546 2.928 . 0 0 "[ . 1 . 2]" 1
505 1 8 SER H 1 9 GLN H 3.000 . 4.100 2.722 2.562 2.872 . 0 0 "[ . 1 . 2]" 1
506 1 6 THR HB 1 8 SER H 2.700 . 3.600 2.615 2.189 3.066 . 0 0 "[ . 1 . 2]" 1
507 1 8 SER H 1 8 SER HA 2.600 . 3.500 2.812 2.773 2.840 . 0 0 "[ . 1 . 2]" 1
508 1 7 GLU HA 1 8 SER H 3.100 . 4.300 3.495 3.428 3.558 . 0 0 "[ . 1 . 2]" 1
509 1 8 SER H 1 8 SER HB3 2.400 . 6.000 3.161 2.622 3.591 . 0 0 "[ . 1 . 2]" 1
510 1 7 GLU HB3 1 8 SER H 2.800 . 3.800 3.544 2.498 4.230 0.430 6 0 "[ . 1 . 2]" 1
511 1 7 GLU HB2 1 8 SER H 2.800 . 6.000 3.092 2.427 4.029 . 0 0 "[ . 1 . 2]" 1
512 1 82 GLN H 1 83 ALA H 3.000 . 4.100 2.475 2.426 2.515 . 0 0 "[ . 1 . 2]" 1
513 1 83 ALA H 1 83 ALA HA 2.800 . 3.800 2.802 2.767 2.829 . 0 0 "[ . 1 . 2]" 1
514 1 76 ALA HA 1 77 VAL H 2.500 . 3.300 2.334 2.238 2.544 . 0 0 "[ . 1 . 2]" 1
515 1 77 VAL H 1 77 VAL HB 2.700 . 3.600 2.712 2.479 3.619 0.019 19 0 "[ . 1 . 2]" 1
516 1 90 GLU H 1 91 ALA H 2.900 . 3.900 2.676 2.508 2.825 . 0 0 "[ . 1 . 2]" 1
517 1 91 ALA H 1 92 ASP H 2.900 . 3.900 2.496 2.362 2.621 . 0 0 "[ . 1 . 2]" 1
518 1 91 ALA H 1 93 ALA H 3.400 . 4.800 4.147 3.765 4.394 . 0 0 "[ . 1 . 2]" 1
519 1 91 ALA H 1 91 ALA HA 2.700 . 3.600 2.848 2.802 2.883 . 0 0 "[ . 1 . 2]" 1
520 1 6 THR HB 1 9 GLN H 3.100 . 4.300 3.199 2.647 3.774 . 0 0 "[ . 1 . 2]" 1
521 1 8 SER HA 1 9 GLN H 3.300 . 4.700 3.554 3.504 3.577 . 0 0 "[ . 1 . 2]" 1
522 1 9 GLN H 1 9 GLN HA 2.900 . 3.900 2.857 2.810 2.880 . 0 0 "[ . 1 . 2]" 1
523 1 8 SER HB3 1 9 GLN H 3.000 . 4.100 3.856 2.326 4.199 0.099 8 0 "[ . 1 . 2]" 1
524 1 9 GLN H 1 10 PHE H 3.000 . 4.200 2.459 2.359 2.625 . 0 0 "[ . 1 . 2]" 1
525 1 6 THR H 1 9 GLN H 3.500 . 5.100 3.904 3.454 4.364 . 0 0 "[ . 1 . 2]" 1
526 1 33 ASP HB3 1 35 LYS H 3.600 . 5.200 3.273 2.729 3.877 . 0 0 "[ . 1 . 2]" 1
527 1 35 LYS H 1 35 LYS HA 2.600 . 3.400 2.839 2.251 2.943 . 0 0 "[ . 1 . 2]" 1
528 1 73 ARG H 1 73 ARG HB2 3.000 . 4.100 2.995 2.177 3.822 . 0 0 "[ . 1 . 2]" 1
529 1 72 ALA HA 1 73 ARG H 2.400 . 3.100 2.296 2.157 2.439 . 0 0 "[ . 1 . 2]" 1
530 1 73 ARG H 1 74 VAL H 3.700 . 5.400 4.299 4.115 4.368 . 0 0 "[ . 1 . 2]" 1
531 1 92 ASP H 1 93 ALA H 2.800 . 3.800 2.528 2.381 2.746 . 0 0 "[ . 1 . 2]" 1
532 1 92 ASP HA 1 93 ALA H 3.000 . 4.100 3.526 3.448 3.557 . 0 0 "[ . 1 . 2]" 1
533 1 93 ALA H 1 93 ALA HA 2.600 . 3.500 2.838 2.818 2.873 . 0 0 "[ . 1 . 2]" 1
534 1 3 LYS HB3 1 4 ARG H 3.300 . 4.700 3.086 2.215 4.446 . 0 0 "[ . 1 . 2]" 1
535 1 3 LYS HB2 1 4 ARG H 3.100 . 4.300 3.959 3.337 4.463 0.163 9 0 "[ . 1 . 2]" 1
536 1 3 LYS HG2 1 4 ARG H 3.500 . 5.100 3.465 1.961 5.034 . 0 0 "[ . 1 . 2]" 1
537 1 4 ARG H 1 4 ARG QB 3.000 . 3.700 2.568 2.180 3.265 . 0 0 "[ . 1 . 2]" 1
538 1 4 ARG H 1 4 ARG QG 3.100 . 4.300 3.038 2.047 4.055 . 0 0 "[ . 1 . 2]" 1
539 1 4 ARG H 1 4 ARG HA 2.900 . 3.900 2.920 2.877 2.942 . 0 0 "[ . 1 . 2]" 1
540 1 3 LYS HA 1 4 ARG H 2.200 . 2.800 2.401 2.226 2.821 0.021 4 0 "[ . 1 . 2]" 1
541 1 4 ARG H 1 4 ARG HE 3.200 . 6.000 5.208 4.186 6.209 0.209 8 0 "[ . 1 . 2]" 1
542 1 3 LYS HD3 1 4 ARG H 3.500 . 5.100 4.403 2.489 5.744 0.644 17 2 "[ . 1 .-+ 2]" 1
543 1 6 THR HB 1 7 GLU H 2.600 . 3.400 2.710 2.342 3.186 . 0 0 "[ . 1 . 2]" 1
544 1 7 GLU H 1 7 GLU HA 2.800 . 3.800 2.809 2.753 2.841 . 0 0 "[ . 1 . 2]" 1
545 1 7 GLU H 1 7 GLU QG 3.300 . 4.700 2.736 1.837 3.973 0.063 6 0 "[ . 1 . 2]" 1
546 1 7 GLU H 1 7 GLU HG3 3.200 . 4.500 3.114 2.153 4.421 . 0 0 "[ . 1 . 2]" 1
547 1 7 GLU H 1 7 GLU HB3 2.700 . 3.600 3.366 2.582 3.612 0.012 12 0 "[ . 1 . 2]" 1
548 1 7 GLU H 1 7 GLU HB2 2.700 . 3.600 2.478 2.079 3.604 0.004 6 0 "[ . 1 . 2]" 1
549 1 6 THR HG1 1 7 GLU H 2.800 . 6.000 4.727 4.155 4.991 . 0 0 "[ . 1 . 2]" 1
550 1 12 GLU HB3 1 13 ALA H 2.600 . 3.400 3.358 2.899 3.547 0.147 16 0 "[ . 1 . 2]" 1
551 1 12 GLU HB2 1 13 ALA H 2.700 . 3.600 2.868 2.441 3.268 . 0 0 "[ . 1 . 2]" 1
552 1 9 GLN HA 1 13 ALA H 3.500 . 5.000 4.262 3.888 4.849 . 0 0 "[ . 1 . 2]" 1
553 1 12 GLU HA 1 13 ALA H 2.900 . 4.000 3.505 3.469 3.530 . 0 0 "[ . 1 . 2]" 1
554 1 13 ALA H 1 13 ALA HA 2.600 . 3.400 2.832 2.782 2.866 . 0 0 "[ . 1 . 2]" 1
555 1 10 PHE HA 1 13 ALA H 3.100 . 4.300 3.489 3.242 3.798 . 0 0 "[ . 1 . 2]" 1
556 1 12 GLU H 1 13 ALA H 2.600 . 3.400 2.576 2.481 2.684 . 0 0 "[ . 1 . 2]" 1
557 1 13 ALA H 1 15 GLN H 3.600 . 5.200 3.987 3.795 4.148 . 0 0 "[ . 1 . 2]" 1
558 1 11 GLN H 1 13 ALA H 3.700 . 5.400 4.124 3.942 4.367 . 0 0 "[ . 1 . 2]" 1
559 1 40 PHE HB2 1 41 ALA H 2.800 . 3.800 3.404 2.691 3.713 . 0 0 "[ . 1 . 2]" 1
560 1 41 ALA H 1 42 THR HA 2.900 . 6.000 5.344 5.260 5.446 . 0 0 "[ . 1 . 2]" 1
561 1 41 ALA H 1 41 ALA HA 2.700 . 3.600 2.801 2.748 2.828 . 0 0 "[ . 1 . 2]" 1
562 1 40 PHE HA 1 41 ALA H 3.200 . 4.500 3.506 3.490 3.543 . 0 0 "[ . 1 . 2]" 1
563 1 16 GLY H 1 17 LEU H 2.800 . 3.800 2.511 2.184 3.015 . 0 0 "[ . 1 . 2]" 1
564 1 17 LEU H 1 18 GLU H 3.300 . 4.700 4.463 4.146 4.623 . 0 0 "[ . 1 . 2]" 1
565 1 17 LEU H 1 17 LEU HA 2.600 . 3.400 2.911 2.833 2.948 . 0 0 "[ . 1 . 2]" 1
566 1 16 GLY HA3 1 17 LEU H 2.600 . 3.400 3.384 3.034 3.539 0.139 20 0 "[ . 1 . 2]" 1
567 1 16 GLY HA2 1 17 LEU H 3.000 . 4.100 3.092 2.782 3.422 . 0 0 "[ . 1 . 2]" 1
568 1 15 GLN HB2 1 17 LEU H 3.700 . 5.400 5.218 4.090 5.722 0.322 16 0 "[ . 1 . 2]" 1
569 1 14 ILE HB 1 17 LEU H 3.600 . 5.200 4.559 4.101 4.854 . 0 0 "[ . 1 . 2]" 1
570 1 17 LEU H 1 17 LEU HB2 2.500 . 3.300 2.337 2.088 2.553 . 0 0 "[ . 1 . 2]" 1
571 1 17 LEU H 1 17 LEU HB3 2.300 . 6.000 3.487 3.285 3.659 . 0 0 "[ . 1 . 2]" 1
572 1 40 PHE H 1 42 THR H 3.600 . 5.200 4.282 3.991 4.561 . 0 0 "[ . 1 . 2]" 1
573 1 40 PHE H 1 41 ALA H 2.600 . 3.400 2.550 2.438 2.611 . 0 0 "[ . 1 . 2]" 1
574 1 40 PHE H 1 40 PHE HA 2.800 . 3.700 2.835 2.806 2.856 . 0 0 "[ . 1 . 2]" 1
575 1 38 ALA HA 1 40 PHE H 3.400 . 4.800 4.387 3.935 4.602 . 0 0 "[ . 1 . 2]" 1
576 1 39 THR HA 1 40 PHE H 3.000 . 4.100 3.524 3.460 3.564 . 0 0 "[ . 1 . 2]" 1
577 1 39 THR HB 1 40 PHE H 2.800 . 3.800 2.871 2.411 3.803 0.003 9 0 "[ . 1 . 2]" 1
578 1 40 PHE H 1 40 PHE HB3 2.400 . 3.100 3.027 2.632 3.602 0.502 2 1 "[ + . 1 . 2]" 1
579 1 98 GLU H 1 98 GLU HA 2.400 . 3.100 2.777 2.241 2.948 . 0 0 "[ . 1 . 2]" 1
580 1 96 LYS H 1 98 GLU H 3.300 . 4.700 3.836 3.567 4.183 . 0 0 "[ . 1 . 2]" 1
581 1 95 LYS H 1 96 LYS H 2.700 . 3.600 2.533 2.400 2.650 . 0 0 "[ . 1 . 2]" 1
582 1 95 LYS HB3 1 96 LYS H 2.200 . 6.000 3.195 2.698 3.671 . 0 0 "[ . 1 . 2]" 1
583 1 95 LYS HB2 1 96 LYS H 2.900 . 4.000 3.891 3.486 4.235 0.235 9 0 "[ . 1 . 2]" 1
584 1 95 LYS HG3 1 96 LYS H 2.700 . 6.000 5.262 5.001 5.653 . 0 0 "[ . 1 . 2]" 1
585 1 95 LYS HG2 1 96 LYS H 2.800 . 6.000 4.620 3.948 5.110 . 0 0 "[ . 1 . 2]" 1
586 1 24 ILE H 1 24 ILE HB 2.600 . 3.500 2.476 2.385 2.591 . 0 0 "[ . 1 . 2]" 1
587 1 24 ILE H 1 24 ILE HG12 2.800 . 3.800 3.513 3.393 3.613 . 0 0 "[ . 1 . 2]" 1
588 1 23 THR HG1 1 24 ILE H 3.100 . 4.300 3.470 2.357 4.257 . 0 0 "[ . 1 . 2]" 1
589 1 23 THR HB 1 24 ILE H 2.900 . 4.000 2.935 2.468 3.565 . 0 0 "[ . 1 . 2]" 1
590 1 22 GLN HA 1 24 ILE H 3.700 . 5.400 4.356 4.255 4.520 . 0 0 "[ . 1 . 2]" 1
591 1 21 GLN HA 1 24 ILE H 3.000 . 4.200 3.211 3.001 3.589 . 0 0 "[ . 1 . 2]" 1
592 1 23 THR HA 1 24 ILE H 3.600 . 5.200 3.518 3.484 3.543 . 0 0 "[ . 1 . 2]" 1
593 1 24 ILE H 1 24 ILE HA 2.900 . 4.000 2.828 2.793 2.844 . 0 0 "[ . 1 . 2]" 1
594 1 24 ILE H 1 25 GLU H 2.900 . 3.900 2.646 2.552 2.791 . 0 0 "[ . 1 . 2]" 1
595 1 23 THR H 1 24 ILE H 2.900 . 3.900 2.604 2.472 2.725 . 0 0 "[ . 1 . 2]" 1
596 1 89 TRP HA 1 92 ASP H 3.300 . 4.700 3.195 2.938 3.560 . 0 0 "[ . 1 . 2]" 1
597 1 92 ASP H 1 92 ASP HA 2.600 . 3.500 2.856 2.813 2.881 . 0 0 "[ . 1 . 2]" 1
598 1 91 ALA HA 1 92 ASP H 3.100 . 4.300 3.473 3.425 3.533 . 0 0 "[ . 1 . 2]" 1
599 1 90 GLU HA 1 92 ASP H 3.200 . 4.500 4.187 3.920 4.410 . 0 0 "[ . 1 . 2]" 1
600 1 28 ARG H 1 28 ARG HA 2.900 . 4.000 2.815 2.786 2.834 . 0 0 "[ . 1 . 2]" 1
601 1 27 ALA HA 1 28 ARG H 3.400 . 4.800 3.470 3.437 3.519 . 0 0 "[ . 1 . 2]" 1
602 1 28 ARG H 1 29 GLY H 2.900 . 3.900 2.640 2.591 2.724 . 0 0 "[ . 1 . 2]" 1
603 1 27 ALA H 1 28 ARG H 3.000 . 4.100 2.613 2.527 2.711 . 0 0 "[ . 1 . 2]" 1
604 1 92 ASP HA 1 95 LYS H 3.100 . 4.300 3.253 2.814 3.442 . 0 0 "[ . 1 . 2]" 1
605 1 95 LYS H 1 95 LYS HA 2.300 . 3.000 2.849 2.812 2.889 . 0 0 "[ . 1 . 2]" 1
606 1 94 LYS H 1 95 LYS H 2.400 . 3.100 2.501 2.373 2.619 . 0 0 "[ . 1 . 2]" 1
607 1 21 GLN H 1 22 GLN HB3 2.500 . 6.000 5.851 4.829 6.528 0.528 15 1 "[ . 1 + 2]" 1
608 1 20 GLY HA3 1 21 GLN H 2.500 . 3.300 2.872 2.532 3.076 . 0 0 "[ . 1 . 2]" 1
609 1 20 GLY HA2 1 21 GLN H 2.500 . 3.300 2.244 2.138 2.455 . 0 0 "[ . 1 . 2]" 1
610 1 21 GLN H 1 21 GLN HA 2.600 . 3.400 2.801 2.740 2.851 . 0 0 "[ . 1 . 2]" 1
611 1 24 ILE HB 1 25 GLU H 2.400 . 3.100 2.617 2.386 2.872 . 0 0 "[ . 1 . 2]" 1
612 1 25 GLU H 1 25 GLU HA 2.600 . 3.400 2.813 2.780 2.843 . 0 0 "[ . 1 . 2]" 1
613 1 24 ILE HA 1 25 GLU H 3.300 . 4.600 3.547 3.518 3.578 . 0 0 "[ . 1 . 2]" 1
614 1 25 GLU H 1 26 ILE H 2.900 . 4.000 2.631 2.517 2.709 . 0 0 "[ . 1 . 2]" 1
615 1 23 THR H 1 25 GLU H 3.600 . 5.300 4.200 3.986 4.440 . 0 0 "[ . 1 . 2]" 1
616 1 97 GLN H 1 97 GLN HB3 2.600 . 6.000 3.485 2.102 3.765 . 0 0 "[ . 1 . 2]" 1
617 1 95 LYS HB3 1 97 GLN H 2.600 . 6.000 5.036 4.702 5.323 . 0 0 "[ . 1 . 2]" 1
618 1 96 LYS HD3 1 97 GLN H 3.500 . 6.000 5.494 4.756 6.353 0.353 8 0 "[ . 1 . 2]" 1
619 1 95 LYS HG2 1 97 GLN H 3.500 . 6.000 5.531 4.882 6.120 0.120 8 0 "[ . 1 . 2]" 1
620 1 50 ALA HA 1 51 VAL H 3.100 . 4.300 3.534 3.495 3.560 . 0 0 "[ . 1 . 2]" 1
621 1 51 VAL H 1 52 SER HB2 3.300 . 6.000 5.219 4.628 6.294 0.294 12 0 "[ . 1 . 2]" 1
622 1 51 VAL H 1 51 VAL HA 2.800 . 3.800 2.824 2.781 2.847 . 0 0 "[ . 1 . 2]" 1
623 1 26 ILE HG13 1 27 ALA H 3.400 . 4.800 4.269 4.038 4.952 0.152 6 0 "[ . 1 . 2]" 1
624 1 26 ILE HB 1 27 ALA H 2.600 . 3.400 2.439 2.344 2.606 . 0 0 "[ . 1 . 2]" 1
625 1 26 ILE HA 1 27 ALA H 3.300 . 4.700 3.540 3.526 3.553 . 0 0 "[ . 1 . 2]" 1
626 1 27 ALA H 1 27 ALA HA 2.800 . 3.800 2.821 2.789 2.843 . 0 0 "[ . 1 . 2]" 1
627 1 24 ILE HA 1 27 ALA H 3.500 . 5.000 3.638 3.430 3.989 . 0 0 "[ . 1 . 2]" 1
628 1 37 GLN HB3 1 38 ALA H 3.300 . 4.700 3.620 2.265 4.244 . 0 0 "[ . 1 . 2]" 1
629 1 37 GLN HB2 1 38 ALA H 2.900 . 4.000 2.748 1.780 3.105 0.020 16 0 "[ . 1 . 2]" 1
630 1 38 ALA H 1 38 ALA HA 2.700 . 3.600 2.810 2.772 2.839 . 0 0 "[ . 1 . 2]" 1
631 1 37 GLN HA 1 38 ALA H 3.500 . 5.000 3.499 3.402 3.562 . 0 0 "[ . 1 . 2]" 1
632 1 59 TRP HB3 1 60 ALA H 2.700 . 3.600 2.634 2.399 2.909 . 0 0 "[ . 1 . 2]" 1
633 1 59 TRP HB2 1 60 ALA H 2.700 . 6.000 3.763 3.641 3.937 . 0 0 "[ . 1 . 2]" 1
634 1 79 PRO HB3 1 80 GLU H 2.700 . 6.000 3.239 2.609 3.859 . 0 0 "[ . 1 . 2]" 1
635 1 80 GLU H 1 81 HIS HA 3.200 . 6.000 5.253 5.119 5.538 . 0 0 "[ . 1 . 2]" 1
636 1 32 VAL H 1 32 VAL HA 2.900 . 4.000 2.842 2.761 2.924 . 0 0 "[ . 1 . 2]" 1
637 1 31 LEU HA 1 32 VAL H 3.500 . 5.000 3.555 3.492 3.587 . 0 0 "[ . 1 . 2]" 1
638 1 32 VAL H 1 32 VAL HB 2.700 . 3.600 2.598 2.446 2.800 . 0 0 "[ . 1 . 2]" 1
639 1 31 LEU HB3 1 32 VAL H 3.400 . 4.800 3.082 2.218 4.247 . 0 0 "[ . 1 . 2]" 1
640 1 62 PHE H 1 62 PHE HB3 2.800 . 3.800 2.495 2.320 2.845 . 0 0 "[ . 1 . 2]" 1
641 1 62 PHE H 1 62 PHE HB2 2.800 . 3.800 2.567 2.274 2.734 . 0 0 "[ . 1 . 2]" 1
642 1 61 ALA HA 1 62 PHE H 3.100 . 4.300 3.525 3.483 3.556 . 0 0 "[ . 1 . 2]" 1
643 1 62 PHE H 1 62 PHE HA 2.800 . 3.800 2.830 2.797 2.871 . 0 0 "[ . 1 . 2]" 1
644 1 62 PHE H 1 63 GLU H 2.900 . 3.900 2.626 2.436 2.770 . 0 0 "[ . 1 . 2]" 1
645 1 85 ILE H 1 86 VAL H 3.200 . 4.500 2.324 2.263 2.414 . 0 0 "[ . 1 . 2]" 1
646 1 86 VAL H 1 86 VAL HB 2.900 . 4.000 2.513 2.395 2.613 . 0 0 "[ . 1 . 2]" 1
647 1 85 ILE HB 1 86 VAL H 3.000 . 4.100 2.928 2.664 3.055 . 0 0 "[ . 1 . 2]" 1
648 1 83 ALA HA 1 86 VAL H 3.400 . 4.800 2.904 2.793 3.035 . 0 0 "[ . 1 . 2]" 1
649 1 85 ILE HA 1 86 VAL H 3.000 . 4.200 3.472 3.448 3.508 . 0 0 "[ . 1 . 2]" 1
650 1 86 VAL H 1 87 ARG H 3.200 . 4.400 2.659 2.520 2.876 . 0 0 "[ . 1 . 2]" 1
651 1 81 HIS HA 1 82 GLN H 3.700 . 5.400 3.521 3.456 3.566 . 0 0 "[ . 1 . 2]" 1
652 1 65 LYS H 1 66 ASN H 2.700 . 3.600 2.554 2.401 2.761 . 0 0 "[ . 1 . 2]" 1
653 1 64 ASP HA 1 66 ASN H 3.500 . 5.000 3.900 3.395 4.427 . 0 0 "[ . 1 . 2]" 1
654 1 65 LYS HB3 1 66 ASN H 3.200 . 4.500 3.437 2.550 4.184 . 0 0 "[ . 1 . 2]" 1
655 1 65 LYS HB2 1 66 ASN H 3.000 . 4.200 3.660 2.876 4.139 . 0 0 "[ . 1 . 2]" 1
656 1 63 GLU HA 1 66 ASN H 3.400 . 4.900 3.610 3.116 4.274 . 0 0 "[ . 1 . 2]" 1
657 1 65 LYS HA 1 66 ASN H 2.900 . 4.000 3.406 3.230 3.545 . 0 0 "[ . 1 . 2]" 1
658 1 40 PHE HA 1 44 LEU H 3.500 . 5.000 4.019 3.034 4.403 . 0 0 "[ . 1 . 2]" 1
659 1 43 SER HA 1 44 LEU H 3.000 . 4.100 3.555 3.506 3.584 . 0 0 "[ . 1 . 2]" 1
660 1 44 LEU H 1 44 LEU HA 2.700 . 3.600 2.908 2.878 2.926 . 0 0 "[ . 1 . 2]" 1
661 1 64 ASP H 1 64 ASP HA 2.800 . 3.800 2.844 2.801 2.881 . 0 0 "[ . 1 . 2]" 1
662 1 61 ALA HA 1 64 ASP H 3.200 . 4.500 3.592 3.348 3.833 . 0 0 "[ . 1 . 2]" 1
663 1 62 PHE HA 1 64 ASP H 3.600 . 5.200 4.432 4.225 4.773 . 0 0 "[ . 1 . 2]" 1
664 1 63 GLU HA 1 64 ASP H 3.300 . 4.700 3.524 3.481 3.566 . 0 0 "[ . 1 . 2]" 1
665 1 11 GLN HG2 1 12 GLU H 3.400 . 4.800 4.550 2.954 5.089 0.289 12 0 "[ . 1 . 2]" 1
666 1 12 GLU H 1 12 GLU HG3 2.800 . 3.800 3.380 2.243 4.215 0.415 1 0 "[ . 1 . 2]" 1
667 1 12 GLU H 1 12 GLU HB3 2.300 . 6.000 3.461 3.204 3.575 . 0 0 "[ . 1 . 2]" 1
668 1 12 GLU H 1 12 GLU HB2 2.500 . 3.300 2.210 2.040 2.448 . 0 0 "[ . 1 . 2]" 1
669 1 8 SER HA 1 12 GLU H 3.600 . 5.200 4.640 4.117 5.194 . 0 0 "[ . 1 . 2]" 1
670 1 9 GLN HA 1 12 GLU H 3.200 . 4.500 3.264 3.010 3.595 . 0 0 "[ . 1 . 2]" 1
671 1 12 GLU H 1 12 GLU HA 2.600 . 3.400 2.830 2.796 2.856 . 0 0 "[ . 1 . 2]" 1
672 1 12 GLU H 1 13 ALA HA 3.600 . 5.200 5.199 5.121 5.275 0.075 19 0 "[ . 1 . 2]" 1
673 1 11 GLN HA 1 12 GLU H 3.100 . 4.300 3.503 3.463 3.541 . 0 0 "[ . 1 . 2]" 1
674 1 11 GLN H 1 12 GLU H 2.800 . 3.800 2.626 2.486 2.854 . 0 0 "[ . 1 . 2]" 1
675 1 64 ASP H 1 65 LYS H 3.000 . 4.100 2.548 2.400 2.693 . 0 0 "[ . 1 . 2]" 1
676 1 64 ASP HA 1 65 LYS H 3.000 . 4.100 3.485 3.336 3.538 . 0 0 "[ . 1 . 2]" 1
677 1 65 LYS H 1 65 LYS HA 2.600 . 3.500 2.853 2.794 2.894 . 0 0 "[ . 1 . 2]" 1
678 1 62 PHE HA 1 65 LYS H 3.500 . 5.000 3.552 3.147 4.040 . 0 0 "[ . 1 . 2]" 1
679 1 63 GLU HA 1 65 LYS H 3.600 . 5.200 4.217 3.703 4.589 . 0 0 "[ . 1 . 2]" 1
680 1 57 ARG HA 1 58 VAL H 3.200 . 4.500 3.565 3.544 3.579 . 0 0 "[ . 1 . 2]" 1
681 1 57 ARG HB3 1 58 VAL H 3.200 . 4.500 2.516 2.277 3.217 . 0 0 "[ . 1 . 2]" 1
682 1 57 ARG HB2 1 58 VAL H 2.500 . 6.000 3.335 2.578 3.748 . 0 0 "[ . 1 . 2]" 1
683 1 86 VAL HA 1 87 ARG H 3.200 . 4.500 3.526 3.499 3.575 . 0 0 "[ . 1 . 2]" 1
684 1 87 ARG H 1 87 ARG HA 2.900 . 3.900 2.813 2.769 2.845 . 0 0 "[ . 1 . 2]" 1
685 1 56 HIS H 1 56 HIS HA 2.800 . 3.800 2.823 2.809 2.833 . 0 0 "[ . 1 . 2]" 1
686 1 55 VAL HA 1 56 HIS H 2.400 . 6.000 3.535 3.510 3.566 . 0 0 "[ . 1 . 2]" 1
687 1 56 HIS H 1 57 ARG H 2.900 . 4.000 2.685 2.614 2.750 . 0 0 "[ . 1 . 2]" 1
688 1 55 VAL H 1 56 HIS H 2.900 . 3.900 2.637 2.546 2.795 . 0 0 "[ . 1 . 2]" 1
689 1 54 ALA H 1 56 HIS H 3.700 . 5.400 4.095 3.890 4.326 . 0 0 "[ . 1 . 2]" 1
690 1 56 HIS H 1 58 VAL H 3.400 . 4.900 4.514 4.361 4.694 . 0 0 "[ . 1 . 2]" 1
691 1 32 VAL H 1 33 ASP H 2.600 . 3.500 2.646 2.296 2.966 . 0 0 "[ . 1 . 2]" 1
692 1 32 VAL HA 1 33 ASP H 3.200 . 4.500 3.539 3.477 3.572 . 0 0 "[ . 1 . 2]" 1
693 1 33 ASP H 1 33 ASP HA 2.800 . 3.800 2.895 2.849 2.925 . 0 0 "[ . 1 . 2]" 1
694 1 33 ASP H 1 34 GLY HA2 3.300 . 4.700 4.578 4.481 4.723 0.023 16 0 "[ . 1 . 2]" 1
695 1 33 ASP H 1 33 ASP HB2 3.400 . 4.800 2.478 2.182 2.847 . 0 0 "[ . 1 . 2]" 1
696 1 33 ASP H 1 33 ASP HB3 2.900 . 3.900 2.773 2.504 3.102 . 0 0 "[ . 1 . 2]" 1
697 1 32 VAL HB 1 33 ASP H 2.700 . 3.600 2.633 2.302 3.101 . 0 0 "[ . 1 . 2]" 1
698 1 42 THR H 1 43 SER H 2.700 . 3.600 2.613 2.506 2.704 . 0 0 "[ . 1 . 2]" 1
699 1 43 SER H 1 44 LEU H 2.700 . 3.600 2.593 2.462 2.738 . 0 0 "[ . 1 . 2]" 1
700 1 43 SER H 1 44 LEU HA 3.500 . 6.000 5.215 5.118 5.311 . 0 0 "[ . 1 . 2]" 1
701 1 40 PHE HA 1 43 SER H 3.000 . 4.100 3.519 3.244 3.804 . 0 0 "[ . 1 . 2]" 1
702 1 42 THR HA 1 43 SER H 2.900 . 3.900 3.504 3.463 3.586 . 0 0 "[ . 1 . 2]" 1
703 1 30 VAL HB 1 31 LEU H 3.000 . 4.100 3.055 2.690 4.037 . 0 0 "[ . 1 . 2]" 1
704 1 11 GLN H 1 11 GLN HG2 2.800 . 3.800 3.392 2.384 4.480 0.680 16 2 "[ . -1 .+ 2]" 1
705 1 11 GLN H 1 11 GLN HB3 2.500 . 3.300 3.043 2.119 3.523 0.223 12 0 "[ . 1 . 2]" 1
706 1 10 PHE H 1 11 GLN H 3.100 . 4.300 2.686 2.531 2.799 . 0 0 "[ . 1 . 2]" 1
707 1 8 SER HA 1 11 GLN H 3.200 . 4.500 3.735 3.479 3.972 . 0 0 "[ . 1 . 2]" 1
708 1 11 GLN H 1 12 GLU HA 3.300 . 6.000 5.243 5.135 5.422 . 0 0 "[ . 1 . 2]" 1
709 1 11 GLN H 1 11 GLN HA 2.800 . 3.800 2.806 2.737 2.845 . 0 0 "[ . 1 . 2]" 1
710 1 54 ALA HA 1 55 VAL H 3.200 . 4.500 3.551 3.508 3.571 . 0 0 "[ . 1 . 2]" 1
711 1 55 VAL H 1 55 VAL HA 2.900 . 3.900 2.826 2.803 2.843 . 0 0 "[ . 1 . 2]" 1
712 1 55 VAL H 1 55 VAL HB 2.600 . 3.400 2.728 2.527 3.210 . 0 0 "[ . 1 . 2]" 1
713 1 99 THR H 1 99 THR HA 2.300 . 2.900 2.807 2.255 2.939 0.039 3 0 "[ . 1 . 2]" 1
714 1 99 THR H 1 99 THR HB 2.600 . 6.000 3.185 2.663 3.853 . 0 0 "[ . 1 . 2]" 1
715 1 98 GLU HB2 1 99 THR H 3.100 . 4.300 4.106 3.168 4.522 0.222 6 0 "[ . 1 . 2]" 1
716 1 99 THR H 1 99 THR HG1 2.800 . 3.800 2.545 1.896 3.416 . 0 0 "[ . 1 . 2]" 1
717 1 52 SER H 1 54 ALA H 3.700 . 5.400 4.204 4.123 4.335 . 0 0 "[ . 1 . 2]" 1
718 1 52 SER H 1 52 SER HB3 2.600 . 3.500 3.319 2.528 3.594 0.094 17 0 "[ . 1 . 2]" 1
719 1 52 SER H 1 52 SER HB2 2.300 . 3.000 2.797 2.370 3.593 0.593 12 5 "[ - . * 1*+ . * 2]" 1
720 1 51 VAL HA 1 52 SER H 3.200 . 4.500 3.545 3.503 3.579 . 0 0 "[ . 1 . 2]" 1
721 1 51 VAL HB 1 52 SER H 2.700 . 3.600 2.647 2.486 2.788 . 0 0 "[ . 1 . 2]" 1
722 1 16 GLY H 1 16 GLY HA2 2.800 . 3.800 2.858 2.357 2.957 . 0 0 "[ . 1 . 2]" 1
723 1 15 GLN HG2 1 16 GLY H 3.300 . 4.700 4.013 2.645 5.365 0.665 1 2 "[+ - 1 . 2]" 1
724 1 15 GLN HB2 1 16 GLY H 3.200 . 4.500 3.608 2.745 4.537 0.037 4 0 "[ . 1 . 2]" 1
725 1 76 ALA H 1 77 VAL H 3.800 . 5.600 4.390 4.305 4.479 . 0 0 "[ . 1 . 2]" 1
726 1 12 GLU H 1 14 ILE H 3.800 . 5.600 4.255 4.028 4.419 . 0 0 "[ . 1 . 2]" 1
727 1 100 LYS H 1 100 LYS HA 2.300 . 3.000 2.844 2.259 2.950 . 0 0 "[ . 1 . 2]" 1
728 1 34 GLY H 1 34 GLY HA3 2.500 . 3.300 2.870 2.795 2.951 . 0 0 "[ . 1 . 2]" 1
729 1 34 GLY H 1 34 GLY HA2 2.500 . 3.300 2.326 2.289 2.442 . 0 0 "[ . 1 . 2]" 1
730 1 47 THR H 1 49 GLY H 3.800 . 5.600 5.314 5.028 5.610 0.010 18 0 "[ . 1 . 2]" 1
731 1 47 THR HA 1 49 GLY H 3.900 . 5.800 4.282 3.994 4.704 . 0 0 "[ . 1 . 2]" 1
732 1 48 ARG HA 1 49 GLY H 3.100 . 4.300 3.515 3.458 3.568 . 0 0 "[ . 1 . 2]" 1
733 1 48 ARG QB 1 49 GLY H 3.800 . 5.600 2.748 2.417 3.497 . 0 0 "[ . 1 . 2]" 1
734 1 6 THR H 1 10 PHE H 3.800 . 5.600 4.301 3.846 4.625 . 0 0 "[ . 1 . 2]" 1
735 1 53 GLN H 1 54 ALA H 2.700 . 3.600 2.579 2.514 2.676 . 0 0 "[ . 1 . 2]" 1
736 1 84 TYR HA 1 85 ILE H 3.500 . 5.100 3.537 3.512 3.552 . 0 0 "[ . 1 . 2]" 1
737 1 85 ILE H 1 85 ILE HA 3.000 . 4.100 2.885 2.864 2.893 . 0 0 "[ . 1 . 2]" 1
738 1 84 TYR HB2 1 85 ILE H 3.300 . 4.600 3.890 3.788 4.187 . 0 0 "[ . 1 . 2]" 1
739 1 84 TYR HB3 1 85 ILE H 3.200 . 4.500 2.547 2.443 3.005 . 0 0 "[ . 1 . 2]" 1
740 1 85 ILE H 1 86 VAL HB 3.900 . 5.800 4.550 4.362 4.683 . 0 0 "[ . 1 . 2]" 1
741 1 85 ILE H 1 85 ILE HB 2.700 . 3.600 2.922 2.747 3.114 . 0 0 "[ . 1 . 2]" 1
742 1 8 SER H 1 10 PHE H 3.000 . 4.100 3.849 3.599 4.039 . 0 0 "[ . 1 . 2]" 1
743 1 58 VAL H 1 59 TRP H 2.700 . 3.600 2.621 2.436 2.744 . 0 0 "[ . 1 . 2]" 1
744 1 71 TYR H 1 72 ALA H 3.400 . 4.800 4.401 4.107 4.606 . 0 0 "[ . 1 . 2]" 1
745 1 6 THR H 1 7 GLU H 4.100 . 6.000 4.573 4.521 4.640 . 0 0 "[ . 1 . 2]" 1
746 1 88 LYS H 1 89 TRP H 3.000 . 4.100 2.461 2.335 2.747 . 0 0 "[ . 1 . 2]" 1
747 1 72 ALA H 1 73 ARG H 3.700 . 5.400 4.376 4.181 4.506 . 0 0 "[ . 1 . 2]" 1
748 1 87 ARG H 1 88 LYS H 3.000 . 4.100 2.651 2.526 2.790 . 0 0 "[ . 1 . 2]" 1
749 1 54 ALA H 1 55 VAL H 2.700 . 3.600 2.675 2.514 2.813 . 0 0 "[ . 1 . 2]" 1
750 1 88 LYS H 1 88 LYS HA 2.700 . 3.600 2.866 2.814 2.886 . 0 0 "[ . 1 . 2]" 1
751 1 87 ARG HA 1 88 LYS H 3.200 . 4.500 3.499 3.446 3.541 . 0 0 "[ . 1 . 2]" 1
752 1 77 VAL H 1 78 LEU HA 4.000 . 6.000 5.465 5.189 5.607 . 0 0 "[ . 1 . 2]" 1
753 1 49 GLY H 1 50 ALA H 3.900 . 5.800 2.672 2.502 2.864 . 0 0 "[ . 1 . 2]" 1
754 1 18 GLU H 1 19 VAL H 2.900 . 3.900 3.903 3.583 3.967 0.067 16 0 "[ . 1 . 2]" 1
755 1 18 GLU HA 1 19 VAL H 2.100 . 2.700 2.242 2.174 2.279 . 0 0 "[ . 1 . 2]" 1
756 1 19 VAL H 1 19 VAL HB 2.500 . 6.000 3.669 3.183 3.849 . 0 0 "[ . 1 . 2]" 1
757 1 22 GLN HB3 1 23 THR H 2.600 . 3.500 3.068 2.299 3.705 0.205 4 0 "[ . 1 . 2]" 1
758 1 18 GLU HB3 1 19 VAL H 3.100 . 4.300 4.195 3.963 4.478 0.178 6 0 "[ . 1 . 2]" 1
759 1 17 LEU HB2 1 19 VAL H 3.300 . 6.000 4.793 4.412 5.108 . 0 0 "[ . 1 . 2]" 1
760 1 17 LEU HB3 1 19 VAL H 3.100 . 6.000 3.890 3.506 4.198 . 0 0 "[ . 1 . 2]" 1
761 1 22 GLN HA 1 23 THR H 3.100 . 4.300 3.549 3.523 3.575 . 0 0 "[ . 1 . 2]" 1
762 1 30 VAL H 1 31 LEU H 2.900 . 3.900 2.459 2.091 2.713 . 0 0 "[ . 1 . 2]" 1
763 1 29 GLY H 1 30 VAL H 3.300 . 4.700 2.171 1.994 2.565 . 0 0 "[ . 1 . 2]" 1
764 1 55 VAL H 1 58 VAL H 3.900 . 5.800 5.053 4.897 5.219 . 0 0 "[ . 1 . 2]" 1
765 1 29 GLY H 1 33 ASP H 3.900 . 5.800 4.755 4.388 5.268 . 0 0 "[ . 1 . 2]" 1
766 1 27 ALA H 1 29 GLY H 3.900 . 5.800 4.254 4.014 4.354 . 0 0 "[ . 1 . 2]" 1
767 1 3 LYS H 1 4 ARG H 3.500 . 5.000 4.349 2.706 4.621 . 0 0 "[ . 1 . 2]" 1
768 1 6 THR H 1 8 SER H 4.300 . 6.000 5.087 4.591 5.505 . 0 0 "[ . 1 . 2]" 1
769 1 7 GLU H 1 9 GLN H 4.400 . 6.000 4.421 4.006 4.741 . 0 0 "[ . 1 . 2]" 1
770 1 10 PHE H 1 12 GLU H 4.200 . 6.000 3.992 3.826 4.210 . 0 0 "[ . 1 . 2]" 1
771 1 10 PHE H 1 10 PHE HA 2.900 . 4.000 2.812 2.788 2.840 . 0 0 "[ . 1 . 2]" 1
772 1 10 PHE H 1 10 PHE HB3 2.900 . 3.900 2.517 2.269 2.714 . 0 0 "[ . 1 . 2]" 1
773 1 31 LEU H 1 33 ASP H 3.800 . 5.600 3.796 3.551 4.037 . 0 0 "[ . 1 . 2]" 1
774 1 33 ASP H 1 35 LYS H 3.800 . 5.600 3.986 3.343 4.590 . 0 0 "[ . 1 . 2]" 1
775 1 39 THR H 1 40 PHE H 2.600 . 3.400 2.624 2.445 2.735 . 0 0 "[ . 1 . 2]" 1
776 1 38 ALA H 1 40 PHE H 4.300 . 6.000 4.220 3.967 4.637 . 0 0 "[ . 1 . 2]" 1
777 1 41 ALA H 1 43 SER H 3.800 . 5.600 4.021 3.890 4.258 . 0 0 "[ . 1 . 2]" 1
778 1 48 ARG H 1 49 GLY H 4.200 . 6.000 2.648 2.485 2.969 . 0 0 "[ . 1 . 2]" 1
779 1 53 GLN H 1 55 VAL H 3.400 . 4.900 4.214 3.950 4.377 . 0 0 "[ . 1 . 2]" 1
780 1 57 ARG H 1 60 ALA H 3.800 . 5.600 4.731 4.603 4.928 . 0 0 "[ . 1 . 2]" 1
781 1 63 GLU H 1 65 LYS H 3.800 . 5.600 4.030 3.749 4.262 . 0 0 "[ . 1 . 2]" 1
782 1 61 ALA H 1 63 GLU H 3.500 . 5.000 4.088 3.830 4.347 . 0 0 "[ . 1 . 2]" 1
783 1 65 LYS H 1 67 LEU H 4.200 . 6.000 4.149 3.644 4.935 . 0 0 "[ . 1 . 2]" 1
784 1 64 ASP H 1 66 ASN H 3.900 . 5.800 4.025 3.697 4.410 . 0 0 "[ . 1 . 2]" 1
785 1 82 GLN H 1 84 TYR H 3.800 . 5.600 4.182 3.978 4.417 . 0 0 "[ . 1 . 2]" 1
786 1 5 LEU H 1 6 THR H 3.700 . 5.400 4.473 4.173 4.568 . 0 0 "[ . 1 . 2]" 1
787 1 4 ARG H 1 5 LEU H 3.300 . 4.700 4.466 4.299 4.556 . 0 0 "[ . 1 . 2]" 1
788 1 5 LEU HB2 1 6 THR H 3.900 . 5.800 4.110 3.659 4.515 . 0 0 "[ . 1 . 2]" 1
789 1 5 LEU HB3 1 6 THR H 3.900 . 5.800 3.376 2.368 4.035 . 0 0 "[ . 1 . 2]" 1
790 1 30 VAL HA 1 31 LEU H 3.800 . 5.600 3.532 3.426 3.591 . 0 0 "[ . 1 . 2]" 1
791 1 64 ASP HB2 1 65 LYS H 3.100 . 4.300 3.798 3.124 4.146 . 0 0 "[ . 1 . 2]" 1
792 1 64 ASP HB3 1 65 LYS H 3.100 . 4.300 2.937 2.605 4.031 . 0 0 "[ . 1 . 2]" 1
793 1 43 SER HB2 1 44 LEU H 2.800 . 3.800 2.999 2.495 3.816 0.016 9 0 "[ . 1 . 2]" 1
794 1 43 SER HB3 1 44 LEU H 2.800 . 3.800 3.346 2.391 3.825 0.025 7 0 "[ . 1 . 2]" 1
795 1 56 HIS QB 1 57 ARG H 2.700 . 3.600 2.614 2.511 2.885 . 0 0 "[ . 1 . 2]" 1
796 1 81 HIS HB3 1 82 GLN H 3.700 . 5.500 2.972 2.320 3.869 . 0 0 "[ . 1 . 2]" 1
797 1 81 HIS HB2 1 82 GLN H 3.800 . 5.600 3.312 2.536 4.090 . 0 0 "[ . 1 . 2]" 1
798 1 17 LEU HB2 1 18 GLU H 3.200 . 4.500 4.195 3.905 4.524 0.024 1 0 "[ . 1 . 2]" 1
799 1 24 ILE HA 1 28 ARG H 3.900 . 5.800 4.359 4.140 4.661 . 0 0 "[ . 1 . 2]" 1
800 1 34 GLY HA2 1 35 LYS H 3.000 . 4.100 2.823 2.639 3.187 . 0 0 "[ . 1 . 2]" 1
801 1 34 GLY HA3 1 35 LYS H 3.000 . 4.100 3.502 3.399 3.579 . 0 0 "[ . 1 . 2]" 1
802 1 39 THR H 1 40 PHE HA 3.900 . 5.800 5.237 5.083 5.338 . 0 0 "[ . 1 . 2]" 1
803 1 53 GLN H 1 53 GLN HA 2.400 . 3.100 2.830 2.805 2.846 . 0 0 "[ . 1 . 2]" 1
804 1 52 SER HB2 1 53 GLN H 2.600 . 6.000 3.267 2.833 4.004 . 0 0 "[ . 1 . 2]" 1
805 1 63 GLU H 1 63 GLU HA 2.700 . 3.600 2.823 2.793 2.849 . 0 0 "[ . 1 . 2]" 1
806 1 62 PHE HA 1 63 GLU H 2.800 . 3.800 3.536 3.499 3.565 . 0 0 "[ . 1 . 2]" 1
807 1 63 GLU H 1 64 ASP HA 4.200 . 6.000 5.267 5.172 5.357 . 0 0 "[ . 1 . 2]" 1
808 1 71 TYR H 1 71 TYR HA 3.000 . 4.100 2.926 2.849 2.947 . 0 0 "[ . 1 . 2]" 1
809 1 70 GLY HA3 1 71 TYR H 2.900 . 4.000 3.223 2.485 3.546 . 0 0 "[ . 1 . 2]" 1
810 1 71 TYR H 1 71 TYR HB2 2.800 . 3.800 2.677 2.179 3.859 0.059 9 0 "[ . 1 . 2]" 1
811 1 71 TYR H 1 71 TYR HB3 3.000 . 4.100 3.433 2.779 3.875 . 0 0 "[ . 1 . 2]" 1
812 1 82 GLN H 1 83 ALA HA 3.300 . 6.000 5.072 5.017 5.134 . 0 0 "[ . 1 . 2]" 1
813 1 89 TRP H 1 89 TRP HA 2.900 . 4.000 2.843 2.798 2.883 . 0 0 "[ . 1 . 2]" 1
814 1 88 LYS HA 1 89 TRP H 2.700 . 3.600 3.509 3.458 3.558 . 0 0 "[ . 1 . 2]" 1
815 1 89 TRP HA 1 90 GLU H 3.000 . 4.100 3.485 3.408 3.539 . 0 0 "[ . 1 . 2]" 1
816 1 90 GLU H 1 90 GLU HA 2.800 . 3.800 2.804 2.766 2.850 . 0 0 "[ . 1 . 2]" 1
817 1 90 GLU HA 1 91 ALA H 2.800 . 3.800 3.528 3.483 3.554 . 0 0 "[ . 1 . 2]" 1
818 1 91 ALA H 1 92 ASP HA 3.600 . 5.200 5.121 4.983 5.231 0.031 16 0 "[ . 1 . 2]" 1
819 1 92 ASP H 1 93 ALA HA 3.800 . 5.600 5.166 5.042 5.339 . 0 0 "[ . 1 . 2]" 1
820 1 98 GLU HA 1 99 THR H 2.400 . 3.100 2.433 2.099 3.110 0.010 16 0 "[ . 1 . 2]" 1
821 1 47 THR HA 1 50 ALA H 3.800 . 5.600 4.593 4.477 4.871 . 0 0 "[ . 1 . 2]" 1
822 1 50 ALA H 1 51 VAL HA 4.000 . 6.000 5.191 5.049 5.401 . 0 0 "[ . 1 . 2]" 1
823 1 40 PHE HB2 1 43 SER H 3.900 . 5.800 5.759 5.583 5.903 0.103 4 0 "[ . 1 . 2]" 1
824 1 12 GLU QB 1 14 ILE H 3.800 . 5.600 4.813 4.504 5.023 . 0 0 "[ . 1 . 2]" 1
825 1 89 TRP HA 1 89 TRP HE1 3.000 . 6.000 4.824 4.560 5.172 . 0 0 "[ . 1 . 2]" 1
826 1 74 VAL HB 1 76 ALA H 3.900 . 5.800 5.308 4.730 5.739 . 0 0 "[ . 1 . 2]" 1
827 1 100 LYS H 1 100 LYS HB2 2.600 . 3.400 2.999 2.260 3.943 0.543 8 1 "[ . + 1 . 2]" 1
828 1 100 LYS H 1 100 LYS HG2 3.100 . 4.300 3.409 1.956 4.900 0.600 20 1 "[ . 1 . +]" 1
829 1 16 GLY H 1 17 LEU HB3 3.900 . 5.800 5.580 5.295 5.812 0.012 14 0 "[ . 1 . 2]" 1
830 1 26 ILE H 1 27 ALA H 2.700 . 3.600 2.597 2.547 2.654 . 0 0 "[ . 1 . 2]" 1
831 1 23 THR HA 1 26 ILE H 3.400 . 4.800 3.559 3.173 4.059 . 0 0 "[ . 1 . 2]" 1
832 1 26 ILE H 1 26 ILE HA 2.900 . 3.900 2.852 2.831 2.861 . 0 0 "[ . 1 . 2]" 1
833 1 26 ILE H 1 26 ILE HB 2.600 . 3.400 2.522 2.431 2.625 . 0 0 "[ . 1 . 2]" 1
834 1 26 ILE H 1 26 ILE HG12 4.100 . 6.000 3.503 2.315 3.878 . 0 0 "[ . 1 . 2]" 1
835 1 29 GLY HA3 1 30 VAL H 3.200 . 4.500 2.960 2.643 3.338 . 0 0 "[ . 1 . 2]" 1
836 1 30 VAL H 1 30 VAL HA 2.900 . 4.000 2.865 2.787 2.939 . 0 0 "[ . 1 . 2]" 1
837 1 62 PHE HB3 1 63 GLU H 3.000 . 4.100 2.589 2.404 2.795 . 0 0 "[ . 1 . 2]" 1
838 1 62 PHE HB2 1 63 GLU H 3.000 . 4.100 3.862 3.627 3.996 . 0 0 "[ . 1 . 2]" 1
839 1 80 GLU HA 1 81 HIS H 3.900 . 5.800 3.475 3.418 3.562 . 0 0 "[ . 1 . 2]" 1
840 1 81 HIS H 1 81 HIS HB3 3.500 . 5.000 3.094 2.420 3.642 . 0 0 "[ . 1 . 2]" 1
841 1 81 HIS H 1 81 HIS HB2 3.600 . 5.200 2.301 2.057 2.619 . 0 0 "[ . 1 . 2]" 1
842 1 4 ARG HA 1 5 LEU H 2.500 . 3.300 2.293 2.106 2.525 . 0 0 "[ . 1 . 2]" 1
843 1 5 LEU H 1 5 LEU HA 3.000 . 4.200 2.937 2.908 2.955 . 0 0 "[ . 1 . 2]" 1
844 1 4 ARG HD3 1 5 LEU H 3.600 . 5.200 4.890 2.898 5.935 0.735 11 1 "[ . 1+ . 2]" 1
845 1 5 LEU H 1 5 LEU HB3 2.900 . 3.900 2.977 2.584 3.690 . 0 0 "[ . 1 . 2]" 1
846 1 4 ARG QB 1 5 LEU H 3.000 . 4.100 2.840 2.206 3.846 . 0 0 "[ . 1 . 2]" 1
847 1 26 ILE H 1 28 ARG H 5.000 . 6.000 3.795 3.636 4.055 . 0 0 "[ . 1 . 2]" 1
848 1 82 GLN HA 1 85 ILE H 3.500 . 5.000 3.694 3.476 3.957 . 0 0 "[ . 1 . 2]" 1
849 1 83 ALA H 1 84 TYR HB3 3.800 . 5.600 4.771 4.437 5.038 . 0 0 "[ . 1 . 2]" 1
850 1 74 VAL H 1 75 THR HA 3.900 . 5.800 5.214 5.028 5.354 . 0 0 "[ . 1 . 2]" 1
851 2 14 ILE HA 2 15 GLN H 2.400 . 6.000 3.374 3.146 3.542 . 0 0 "[ . 1 . 2]" 1
852 2 15 GLN H 2 17 LEU H 3.600 . 5.300 4.311 3.895 4.748 . 0 0 "[ . 1 . 2]" 1
853 2 101 ARG H 2 101 ARG QG 3.100 . 3.700 2.816 1.888 3.641 0.012 8 0 "[ . 1 . 2]" 1
854 2 100 LYS HB2 2 101 ARG H 3.200 . 4.500 3.849 1.803 4.553 0.097 12 0 "[ . 1 . 2]" 1
855 2 101 ARG H 2 101 ARG HA 2.800 . 3.800 2.856 2.259 2.946 . 0 0 "[ . 1 . 2]" 1
856 2 100 LYS HA 2 101 ARG H 2.200 . 2.800 2.272 2.118 2.765 . 0 0 "[ . 1 . 2]" 1
857 2 100 LYS H 2 101 ARG H 3.400 . 4.800 4.239 2.910 4.573 . 0 0 "[ . 1 . 2]" 1
858 2 17 LEU HA 2 18 GLU H 2.500 . 3.300 2.245 2.129 2.462 . 0 0 "[ . 1 . 2]" 1
859 2 18 GLU H 2 18 GLU HA 2.800 . 3.800 2.911 2.886 2.951 . 0 0 "[ . 1 . 2]" 1
860 2 18 GLU H 2 18 GLU HG3 3.000 . 4.100 2.879 1.462 3.916 0.438 7 0 "[ . 1 . 2]" 1
861 2 18 GLU H 2 18 GLU HB3 2.800 . 3.800 3.496 2.882 3.741 . 0 0 "[ . 1 . 2]" 1
862 2 17 LEU HB3 2 18 GLU H 3.100 . 4.300 3.091 2.404 4.084 . 0 0 "[ . 1 . 2]" 1
863 2 50 ALA H 2 52 SER H 3.500 . 5.100 4.068 3.926 4.266 . 0 0 "[ . 1 . 2]" 1
864 2 50 ALA H 2 51 VAL H 2.800 . 3.800 2.573 2.445 2.763 . 0 0 "[ . 1 . 2]" 1
865 2 49 GLY HA3 2 50 ALA H 2.800 . 3.800 2.919 2.781 3.013 . 0 0 "[ . 1 . 2]" 1
866 2 2 LYS HA 2 3 LYS H 2.300 . 3.000 2.404 2.101 3.391 0.391 7 0 "[ . 1 . 2]" 1
867 2 3 LYS H 2 3 LYS HA 3.000 . 4.100 2.896 2.835 2.948 . 0 0 "[ . 1 . 2]" 1
868 2 2 LYS HB3 2 3 LYS H 3.000 . 4.100 3.270 1.437 4.318 0.463 7 0 "[ . 1 . 2]" 1
869 2 2 LYS HG3 2 3 LYS H 3.700 . 5.400 4.233 1.977 5.686 0.286 20 0 "[ . 1 . 2]" 1
870 2 3 LYS H 2 3 LYS HB3 2.900 . 3.900 3.422 2.630 3.849 . 0 0 "[ . 1 . 2]" 1
871 2 3 LYS H 2 3 LYS HB2 3.100 . 4.300 2.623 2.149 3.297 . 0 0 "[ . 1 . 2]" 1
872 2 3 LYS H 2 3 LYS HD3 3.000 . 6.000 5.214 3.902 6.257 0.257 7 0 "[ . 1 . 2]" 1
873 2 3 LYS H 2 3 LYS HG2 3.300 . 4.700 3.978 2.441 5.119 0.419 5 0 "[ . 1 . 2]" 1
874 2 14 ILE HG12 2 15 GLN H 3.100 . 4.300 3.508 2.641 4.337 0.037 18 0 "[ . 1 . 2]" 1
875 2 14 ILE HG13 2 15 GLN H 3.000 . 4.100 2.581 1.857 3.024 0.043 6 0 "[ . 1 . 2]" 1
876 2 15 GLN H 2 15 GLN HG2 2.600 . 6.000 4.389 3.585 4.997 . 0 0 "[ . 1 . 2]" 1
877 2 15 GLN H 2 15 GLN HB2 2.300 . 2.900 2.366 2.010 2.919 0.019 6 0 "[ . 1 . 2]" 1
878 2 14 ILE HB 2 15 GLN H 3.300 . 4.700 4.014 3.541 4.266 . 0 0 "[ . 1 . 2]" 1
879 2 14 ILE H 2 15 GLN H 2.600 . 3.400 2.477 1.975 2.633 . 0 0 "[ . 1 . 2]" 1
880 2 15 GLN H 2 16 GLY H 3.500 . 5.100 3.411 2.406 4.452 . 0 0 "[ . 1 . 2]" 1
881 2 36 PRO HA 2 37 GLN H 2.800 . 3.800 2.282 2.104 3.535 . 0 0 "[ . 1 . 2]" 1
882 2 66 ASN H 2 67 LEU H 3.000 . 4.100 2.502 2.225 3.027 . 0 0 "[ . 1 . 2]" 1
883 2 66 ASN HA 2 67 LEU H 2.500 . 3.300 3.217 2.699 3.468 0.168 1 0 "[ . 1 . 2]" 1
884 2 64 ASP HA 2 67 LEU H 3.700 . 5.400 3.864 3.203 5.057 . 0 0 "[ . 1 . 2]" 1
885 2 66 ASN HB3 2 67 LEU H 3.400 . 4.900 3.731 2.474 4.629 . 0 0 "[ . 1 . 2]" 1
886 2 66 ASN HB2 2 67 LEU H 3.500 . 5.000 3.913 1.988 4.514 0.012 1 0 "[ . 1 . 2]" 1
887 2 65 LYS HA 2 67 LEU H 3.900 . 5.800 3.778 3.094 5.879 0.079 1 0 "[ . 1 . 2]" 1
888 2 67 LEU H 2 67 LEU HA 3.000 . 4.100 2.657 2.254 2.946 . 0 0 "[ . 1 . 2]" 1
889 2 13 ALA H 2 14 ILE H 2.900 . 3.900 2.659 2.539 2.837 . 0 0 "[ . 1 . 2]" 1
890 2 14 ILE H 2 14 ILE HA 2.900 . 3.900 2.886 2.849 2.954 . 0 0 "[ . 1 . 2]" 1
891 2 12 GLU HB2 2 14 ILE H 3.400 . 6.000 5.367 4.956 5.689 . 0 0 "[ . 1 . 2]" 1
892 2 14 ILE H 2 14 ILE HB 3.100 . 4.300 3.657 3.631 3.766 . 0 0 "[ . 1 . 2]" 1
893 2 14 ILE H 2 14 ILE HG12 2.700 . 3.600 2.201 1.958 2.475 . 0 0 "[ . 1 . 2]" 1
894 2 14 ILE H 2 14 ILE HG13 2.700 . 3.600 2.687 2.195 3.135 . 0 0 "[ . 1 . 2]" 1
895 2 32 VAL H 2 34 GLY H 3.300 . 4.700 3.732 3.243 4.251 . 0 0 "[ . 1 . 2]" 1
896 2 32 VAL HA 2 34 GLY H 3.600 . 5.200 4.270 3.919 5.012 . 0 0 "[ . 1 . 2]" 1
897 2 33 ASP HA 2 34 GLY H 3.100 . 4.300 3.411 3.199 3.559 . 0 0 "[ . 1 . 2]" 1
898 2 34 GLY H 2 35 LYS HA 3.200 . 6.000 4.929 4.226 5.199 . 0 0 "[ . 1 . 2]" 1
899 2 33 ASP H 2 34 GLY H 2.900 . 3.900 2.317 2.169 2.558 . 0 0 "[ . 1 . 2]" 1
900 2 34 GLY H 2 35 LYS H 2.700 . 3.600 2.461 2.037 2.769 . 0 0 "[ . 1 . 2]" 1
901 2 33 ASP HB2 2 34 GLY H 3.200 . 4.500 3.957 3.653 4.444 . 0 0 "[ . 1 . 2]" 1
902 2 33 ASP HB3 2 34 GLY H 3.400 . 4.800 3.089 2.337 3.771 . 0 0 "[ . 1 . 2]" 1
903 2 29 GLY H 2 29 GLY HA3 2.700 . 3.600 2.407 2.344 2.445 . 0 0 "[ . 1 . 2]" 1
904 2 28 ARG HB3 2 29 GLY H 2.900 . 3.900 2.967 2.659 3.665 . 0 0 "[ . 1 . 2]" 1
905 2 29 GLY H 2 29 GLY HA2 2.700 . 3.600 2.946 2.911 2.959 . 0 0 "[ . 1 . 2]" 1
906 2 28 ARG HA 2 29 GLY H 3.300 . 4.700 3.496 3.472 3.533 . 0 0 "[ . 1 . 2]" 1
907 2 26 ILE HA 2 29 GLY H 3.600 . 5.300 3.725 3.344 3.928 . 0 0 "[ . 1 . 2]" 1
908 2 46 LEU HA 2 47 THR H 2.500 . 3.300 2.382 2.255 2.480 . 0 0 "[ . 1 . 2]" 1
909 2 47 THR H 2 47 THR HA 2.900 . 4.000 2.884 2.842 2.924 . 0 0 "[ . 1 . 2]" 1
910 2 46 LEU HB3 2 47 THR H 2.700 . 3.600 2.538 2.330 2.831 . 0 0 "[ . 1 . 2]" 1
911 2 46 LEU HB2 2 47 THR H 2.400 . 6.000 3.681 3.243 4.036 . 0 0 "[ . 1 . 2]" 1
912 2 19 VAL H 2 20 GLY H 3.100 . 4.300 4.343 4.264 4.420 0.120 7 0 "[ . 1 . 2]" 1
913 2 45 GLY H 2 46 LEU HA 3.500 . 5.000 5.015 4.883 5.064 0.064 13 0 "[ . 1 . 2]" 1
914 2 19 VAL HA 2 20 GLY H 2.400 . 3.100 2.198 2.066 2.773 . 0 0 "[ . 1 . 2]" 1
915 2 18 GLU HA 2 20 GLY H 3.600 . 6.000 5.993 5.743 6.244 0.244 10 0 "[ . 1 . 2]" 1
916 2 20 GLY H 2 20 GLY HA3 2.700 . 3.600 2.295 2.279 2.313 . 0 0 "[ . 1 . 2]" 1
917 2 20 GLY H 2 20 GLY HA2 2.600 . 3.400 2.835 2.780 2.882 . 0 0 "[ . 1 . 2]" 1
918 2 19 VAL HB 2 20 GLY H 2.700 . 3.600 2.853 1.721 3.416 0.079 18 0 "[ . 1 . 2]" 1
919 2 43 SER H 2 45 GLY H 3.700 . 5.400 3.805 3.718 3.920 . 0 0 "[ . 1 . 2]" 1
920 2 44 LEU HA 2 45 GLY H 3.000 . 4.100 3.359 3.197 3.511 . 0 0 "[ . 1 . 2]" 1
921 2 45 GLY H 2 45 GLY HA2 2.200 . 2.800 2.330 2.302 2.418 . 0 0 "[ . 1 . 2]" 1
922 2 44 LEU HB3 2 45 GLY H 3.100 . 4.300 3.856 3.419 4.306 0.006 13 0 "[ . 1 . 2]" 1
923 2 44 LEU HB2 2 45 GLY H 3.000 . 4.100 3.456 2.945 3.707 . 0 0 "[ . 1 . 2]" 1
924 2 45 GLY H 2 46 LEU HB2 3.400 . 4.900 4.520 4.166 4.941 0.041 6 0 "[ . 1 . 2]" 1
925 2 38 ALA H 2 39 THR H 3.200 . 4.500 2.700 2.576 2.807 . 0 0 "[ . 1 . 2]" 1
926 2 39 THR H 2 41 ALA H 3.500 . 5.000 4.146 3.982 4.461 . 0 0 "[ . 1 . 2]" 1
927 2 38 ALA HA 2 39 THR H 3.100 . 4.300 3.529 3.472 3.577 . 0 0 "[ . 1 . 2]" 1
928 2 39 THR H 2 39 THR HA 2.600 . 3.400 2.829 2.798 2.859 . 0 0 "[ . 1 . 2]" 1
929 2 39 THR H 2 39 THR HB 2.600 . 3.400 3.167 2.682 3.536 0.136 11 0 "[ . 1 . 2]" 1
930 2 39 THR H 2 40 PHE HB3 3.500 . 6.000 5.488 5.003 6.306 0.306 11 0 "[ . 1 . 2]" 1
931 2 5 LEU HA 2 6 THR H 2.600 . 3.500 2.335 2.183 2.605 . 0 0 "[ . 1 . 2]" 1
932 2 6 THR H 2 9 GLN HA 3.600 . 6.000 5.757 4.995 6.073 0.073 9 0 "[ . 1 . 2]" 1
933 2 41 ALA H 2 42 THR H 2.600 . 3.400 2.765 2.579 2.949 . 0 0 "[ . 1 . 2]" 1
934 2 40 PHE HA 2 42 THR H 3.600 . 5.200 4.515 4.048 4.907 . 0 0 "[ . 1 . 2]" 1
935 2 42 THR H 2 42 THR HB 2.400 . 3.100 2.740 2.547 3.008 . 0 0 "[ . 1 . 2]" 1
936 2 42 THR H 2 42 THR HA 2.400 . 3.100 2.836 2.787 2.860 . 0 0 "[ . 1 . 2]" 1
937 2 41 ALA HA 2 42 THR H 2.800 . 3.800 3.556 3.518 3.581 . 0 0 "[ . 1 . 2]" 1
938 2 69 GLU H 2 70 GLY H 3.500 . 5.000 4.260 3.810 4.586 . 0 0 "[ . 1 . 2]" 1
939 2 70 GLY H 2 71 TYR H 2.900 . 3.900 2.821 1.959 3.680 . 0 0 "[ . 1 . 2]" 1
940 2 69 GLU HA 2 70 GLY H 2.400 . 3.100 2.213 2.117 2.461 . 0 0 "[ . 1 . 2]" 1
941 2 69 GLU QB 2 70 GLY H 3.100 . 4.300 3.673 2.697 3.990 . 0 0 "[ . 1 . 2]" 1
942 2 7 GLU H 2 8 SER H 2.900 . 3.900 2.646 2.536 2.861 . 0 0 "[ . 1 . 2]" 1
943 2 8 SER H 2 9 GLN H 3.000 . 4.100 2.697 2.563 2.849 . 0 0 "[ . 1 . 2]" 1
944 2 6 THR HB 2 8 SER H 2.700 . 3.600 2.554 2.231 2.929 . 0 0 "[ . 1 . 2]" 1
945 2 8 SER H 2 8 SER HA 2.600 . 3.500 2.818 2.788 2.841 . 0 0 "[ . 1 . 2]" 1
946 2 7 GLU HA 2 8 SER H 3.100 . 4.300 3.482 3.428 3.536 . 0 0 "[ . 1 . 2]" 1
947 2 8 SER H 2 8 SER HB3 2.400 . 6.000 3.232 2.592 3.596 . 0 0 "[ . 1 . 2]" 1
948 2 7 GLU HB3 2 8 SER H 2.800 . 3.800 3.657 2.851 4.114 0.314 14 0 "[ . 1 . 2]" 1
949 2 7 GLU HB2 2 8 SER H 2.800 . 6.000 3.141 2.631 4.174 . 0 0 "[ . 1 . 2]" 1
950 2 82 GLN H 2 83 ALA H 3.000 . 4.100 2.472 2.428 2.557 . 0 0 "[ . 1 . 2]" 1
951 2 83 ALA H 2 83 ALA HA 2.800 . 3.800 2.805 2.774 2.824 . 0 0 "[ . 1 . 2]" 1
952 2 76 ALA HA 2 77 VAL H 2.500 . 3.300 2.361 2.181 2.561 . 0 0 "[ . 1 . 2]" 1
953 2 77 VAL H 2 77 VAL HB 2.700 . 3.600 2.774 2.521 3.505 . 0 0 "[ . 1 . 2]" 1
954 2 90 GLU H 2 91 ALA H 2.900 . 3.900 2.714 2.467 2.841 . 0 0 "[ . 1 . 2]" 1
955 2 91 ALA H 2 92 ASP H 2.900 . 3.900 2.478 2.358 2.626 . 0 0 "[ . 1 . 2]" 1
956 2 91 ALA H 2 93 ALA H 3.400 . 4.800 4.174 3.724 4.405 . 0 0 "[ . 1 . 2]" 1
957 2 91 ALA H 2 91 ALA HA 2.700 . 3.600 2.850 2.813 2.875 . 0 0 "[ . 1 . 2]" 1
958 2 6 THR HB 2 9 GLN H 3.100 . 4.300 3.252 2.706 3.681 . 0 0 "[ . 1 . 2]" 1
959 2 8 SER HA 2 9 GLN H 3.300 . 4.700 3.553 3.512 3.584 . 0 0 "[ . 1 . 2]" 1
960 2 9 GLN H 2 9 GLN HA 2.900 . 3.900 2.861 2.829 2.877 . 0 0 "[ . 1 . 2]" 1
961 2 8 SER HB3 2 9 GLN H 3.000 . 4.100 3.832 2.483 4.184 0.084 6 0 "[ . 1 . 2]" 1
962 2 9 GLN H 2 10 PHE H 3.000 . 4.200 2.442 2.367 2.590 . 0 0 "[ . 1 . 2]" 1
963 2 6 THR H 2 9 GLN H 3.500 . 5.100 3.902 3.241 4.158 . 0 0 "[ . 1 . 2]" 1
964 2 33 ASP HB3 2 35 LYS H 3.600 . 5.200 3.350 2.890 3.673 . 0 0 "[ . 1 . 2]" 1
965 2 35 LYS H 2 35 LYS HA 2.600 . 3.400 2.840 2.236 2.946 . 0 0 "[ . 1 . 2]" 1
966 2 73 ARG H 2 73 ARG HB2 3.000 . 4.100 3.084 2.217 3.775 . 0 0 "[ . 1 . 2]" 1
967 2 72 ALA HA 2 73 ARG H 2.400 . 3.100 2.319 2.099 2.451 . 0 0 "[ . 1 . 2]" 1
968 2 73 ARG H 2 74 VAL H 3.700 . 5.400 4.270 4.087 4.481 . 0 0 "[ . 1 . 2]" 1
969 2 92 ASP H 2 93 ALA H 2.800 . 3.800 2.540 2.340 2.692 . 0 0 "[ . 1 . 2]" 1
970 2 92 ASP HA 2 93 ALA H 3.000 . 4.100 3.525 3.455 3.565 . 0 0 "[ . 1 . 2]" 1
971 2 93 ALA H 2 93 ALA HA 2.600 . 3.500 2.836 2.792 2.884 . 0 0 "[ . 1 . 2]" 1
972 2 3 LYS HB3 2 4 ARG H 3.300 . 4.700 3.181 2.133 4.355 . 0 0 "[ . 1 . 2]" 1
973 2 3 LYS HB2 2 4 ARG H 3.100 . 4.300 4.037 3.422 4.593 0.293 3 0 "[ . 1 . 2]" 1
974 2 3 LYS HG2 2 4 ARG H 3.500 . 5.100 3.528 2.176 5.108 0.008 9 0 "[ . 1 . 2]" 1
975 2 4 ARG H 2 4 ARG QB 3.000 . 3.700 2.592 2.235 3.267 . 0 0 "[ . 1 . 2]" 1
976 2 4 ARG H 2 4 ARG QG 3.100 . 4.300 2.976 2.099 4.095 . 0 0 "[ . 1 . 2]" 1
977 2 4 ARG H 2 4 ARG HA 2.900 . 3.900 2.921 2.886 2.946 . 0 0 "[ . 1 . 2]" 1
978 2 3 LYS HA 2 4 ARG H 2.200 . 2.800 2.333 2.141 2.578 . 0 0 "[ . 1 . 2]" 1
979 2 4 ARG H 2 4 ARG HE 3.200 . 6.000 5.039 2.632 6.092 0.092 8 0 "[ . 1 . 2]" 1
980 2 3 LYS HD3 2 4 ARG H 3.500 . 5.100 4.589 3.333 5.143 0.043 13 0 "[ . 1 . 2]" 1
981 2 6 THR HB 2 7 GLU H 2.600 . 3.400 2.711 2.328 3.425 0.025 9 0 "[ . 1 . 2]" 1
982 2 7 GLU H 2 7 GLU HA 2.800 . 3.800 2.818 2.751 2.847 . 0 0 "[ . 1 . 2]" 1
983 2 7 GLU H 2 7 GLU QG 3.300 . 4.700 2.778 1.873 3.996 0.027 20 0 "[ . 1 . 2]" 1
984 2 7 GLU H 2 7 GLU HG3 3.200 . 4.500 3.051 2.183 4.423 . 0 0 "[ . 1 . 2]" 1
985 2 7 GLU H 2 7 GLU HB3 2.700 . 3.600 3.384 2.525 3.605 0.005 15 0 "[ . 1 . 2]" 1
986 2 7 GLU H 2 7 GLU HB2 2.700 . 3.600 2.479 2.180 2.839 . 0 0 "[ . 1 . 2]" 1
987 2 6 THR HG1 2 7 GLU H 2.800 . 6.000 4.805 4.547 4.971 . 0 0 "[ . 1 . 2]" 1
988 2 12 GLU HB3 2 13 ALA H 2.600 . 3.400 3.275 2.744 3.513 0.113 19 0 "[ . 1 . 2]" 1
989 2 12 GLU HB2 2 13 ALA H 2.700 . 3.600 2.956 2.534 3.320 . 0 0 "[ . 1 . 2]" 1
990 2 9 GLN HA 2 13 ALA H 3.500 . 5.000 4.222 3.912 4.676 . 0 0 "[ . 1 . 2]" 1
991 2 12 GLU HA 2 13 ALA H 2.900 . 4.000 3.507 3.488 3.524 . 0 0 "[ . 1 . 2]" 1
992 2 13 ALA H 2 13 ALA HA 2.600 . 3.400 2.832 2.772 2.860 . 0 0 "[ . 1 . 2]" 1
993 2 10 PHE HA 2 13 ALA H 3.100 . 4.300 3.461 3.179 3.624 . 0 0 "[ . 1 . 2]" 1
994 2 12 GLU H 2 13 ALA H 2.600 . 3.400 2.596 2.527 2.699 . 0 0 "[ . 1 . 2]" 1
995 2 13 ALA H 2 15 GLN H 3.600 . 5.200 3.973 3.762 4.273 . 0 0 "[ . 1 . 2]" 1
996 2 11 GLN H 2 13 ALA H 3.700 . 5.400 4.089 3.934 4.196 . 0 0 "[ . 1 . 2]" 1
997 2 40 PHE HB2 2 41 ALA H 2.800 . 3.800 3.387 2.645 3.725 . 0 0 "[ . 1 . 2]" 1
998 2 41 ALA H 2 42 THR HA 2.900 . 6.000 5.346 5.204 5.474 . 0 0 "[ . 1 . 2]" 1
999 2 41 ALA H 2 41 ALA HA 2.700 . 3.600 2.798 2.738 2.830 . 0 0 "[ . 1 . 2]" 1
1000 2 40 PHE HA 2 41 ALA H 3.200 . 4.500 3.508 3.488 3.539 . 0 0 "[ . 1 . 2]" 1
1001 2 16 GLY H 2 17 LEU H 2.800 . 3.800 2.487 2.178 2.865 . 0 0 "[ . 1 . 2]" 1
1002 2 17 LEU H 2 18 GLU H 3.300 . 4.700 4.428 3.993 4.619 . 0 0 "[ . 1 . 2]" 1
1003 2 17 LEU H 2 17 LEU HA 2.600 . 3.400 2.913 2.841 2.945 . 0 0 "[ . 1 . 2]" 1
1004 2 16 GLY HA3 2 17 LEU H 2.600 . 3.400 3.409 3.066 3.527 0.127 15 0 "[ . 1 . 2]" 1
1005 2 16 GLY HA2 2 17 LEU H 3.000 . 4.100 3.043 2.832 3.392 . 0 0 "[ . 1 . 2]" 1
1006 2 15 GLN HB2 2 17 LEU H 3.700 . 5.400 5.192 4.043 5.800 0.400 15 0 "[ . 1 . 2]" 1
1007 2 14 ILE HB 2 17 LEU H 3.600 . 5.200 4.456 3.984 4.826 . 0 0 "[ . 1 . 2]" 1
1008 2 17 LEU H 2 17 LEU HB2 2.500 . 3.300 2.326 2.101 2.563 . 0 0 "[ . 1 . 2]" 1
1009 2 17 LEU H 2 17 LEU HB3 2.300 . 6.000 3.478 3.206 3.714 . 0 0 "[ . 1 . 2]" 1
1010 2 40 PHE H 2 42 THR H 3.600 . 5.200 4.247 4.037 4.474 . 0 0 "[ . 1 . 2]" 1
1011 2 40 PHE H 2 41 ALA H 2.600 . 3.400 2.560 2.479 2.631 . 0 0 "[ . 1 . 2]" 1
1012 2 40 PHE H 2 40 PHE HA 2.800 . 3.700 2.835 2.817 2.857 . 0 0 "[ . 1 . 2]" 1
1013 2 38 ALA HA 2 40 PHE H 3.400 . 4.800 4.426 4.112 4.709 . 0 0 "[ . 1 . 2]" 1
1014 2 39 THR HA 2 40 PHE H 3.000 . 4.100 3.524 3.454 3.564 . 0 0 "[ . 1 . 2]" 1
1015 2 39 THR HB 2 40 PHE H 2.800 . 3.800 2.984 2.324 3.751 . 0 0 "[ . 1 . 2]" 1
1016 2 40 PHE H 2 40 PHE HB3 2.400 . 3.100 3.055 2.688 3.593 0.493 13 0 "[ . 1 . 2]" 1
1017 2 98 GLU H 2 98 GLU HA 2.400 . 3.100 2.778 2.214 2.945 . 0 0 "[ . 1 . 2]" 1
1018 2 96 LYS H 2 98 GLU H 3.300 . 4.700 3.872 3.708 4.049 . 0 0 "[ . 1 . 2]" 1
1019 2 95 LYS H 2 96 LYS H 2.700 . 3.600 2.560 2.393 2.738 . 0 0 "[ . 1 . 2]" 1
1020 2 95 LYS HB3 2 96 LYS H 2.200 . 6.000 3.227 2.673 3.852 . 0 0 "[ . 1 . 2]" 1
1021 2 95 LYS HB2 2 96 LYS H 2.900 . 4.000 3.873 3.318 4.286 0.286 19 0 "[ . 1 . 2]" 1
1022 2 95 LYS HG3 2 96 LYS H 2.700 . 6.000 5.138 4.733 5.638 . 0 0 "[ . 1 . 2]" 1
1023 2 95 LYS HG2 2 96 LYS H 2.800 . 6.000 4.634 3.689 5.464 . 0 0 "[ . 1 . 2]" 1
1024 2 24 ILE H 2 24 ILE HB 2.600 . 3.500 2.483 2.401 2.573 . 0 0 "[ . 1 . 2]" 1
1025 2 24 ILE H 2 24 ILE HG12 2.800 . 3.800 3.505 3.340 3.630 . 0 0 "[ . 1 . 2]" 1
1026 2 23 THR HG1 2 24 ILE H 3.100 . 4.300 3.120 2.389 4.251 . 0 0 "[ . 1 . 2]" 1
1027 2 23 THR HB 2 24 ILE H 2.900 . 4.000 2.971 2.516 3.548 . 0 0 "[ . 1 . 2]" 1
1028 2 22 GLN HA 2 24 ILE H 3.700 . 5.400 4.333 4.052 4.516 . 0 0 "[ . 1 . 2]" 1
1029 2 21 GLN HA 2 24 ILE H 3.000 . 4.200 3.169 2.901 3.592 . 0 0 "[ . 1 . 2]" 1
1030 2 23 THR HA 2 24 ILE H 3.600 . 5.200 3.516 3.485 3.537 . 0 0 "[ . 1 . 2]" 1
1031 2 24 ILE H 2 24 ILE HA 2.900 . 4.000 2.834 2.805 2.846 . 0 0 "[ . 1 . 2]" 1
1032 2 24 ILE H 2 25 GLU H 2.900 . 3.900 2.620 2.549 2.721 . 0 0 "[ . 1 . 2]" 1
1033 2 23 THR H 2 24 ILE H 2.900 . 3.900 2.611 2.381 2.764 . 0 0 "[ . 1 . 2]" 1
1034 2 89 TRP HA 2 92 ASP H 3.300 . 4.700 3.094 2.705 3.424 . 0 0 "[ . 1 . 2]" 1
1035 2 92 ASP H 2 92 ASP HA 2.600 . 3.500 2.852 2.824 2.885 . 0 0 "[ . 1 . 2]" 1
1036 2 91 ALA HA 2 92 ASP H 3.100 . 4.300 3.465 3.430 3.523 . 0 0 "[ . 1 . 2]" 1
1037 2 90 GLU HA 2 92 ASP H 3.200 . 4.500 4.190 3.838 4.450 . 0 0 "[ . 1 . 2]" 1
1038 2 28 ARG H 2 28 ARG HA 2.900 . 4.000 2.814 2.772 2.855 . 0 0 "[ . 1 . 2]" 1
1039 2 27 ALA HA 2 28 ARG H 3.400 . 4.800 3.482 3.446 3.513 . 0 0 "[ . 1 . 2]" 1
1040 2 28 ARG H 2 29 GLY H 2.900 . 3.900 2.646 2.526 2.785 . 0 0 "[ . 1 . 2]" 1
1041 2 27 ALA H 2 28 ARG H 3.000 . 4.100 2.634 2.531 2.704 . 0 0 "[ . 1 . 2]" 1
1042 2 92 ASP HA 2 95 LYS H 3.100 . 4.300 3.248 3.025 3.574 . 0 0 "[ . 1 . 2]" 1
1043 2 95 LYS H 2 95 LYS HA 2.300 . 3.000 2.843 2.778 2.887 . 0 0 "[ . 1 . 2]" 1
1044 2 94 LYS H 2 95 LYS H 2.400 . 3.100 2.504 2.377 2.642 . 0 0 "[ . 1 . 2]" 1
1045 2 21 GLN H 2 22 GLN HB3 2.500 . 6.000 5.913 5.076 6.376 0.376 15 0 "[ . 1 . 2]" 1
1046 2 20 GLY HA3 2 21 GLN H 2.500 . 3.300 2.882 2.586 3.139 . 0 0 "[ . 1 . 2]" 1
1047 2 20 GLY HA2 2 21 GLN H 2.500 . 3.300 2.238 2.144 2.463 . 0 0 "[ . 1 . 2]" 1
1048 2 21 GLN H 2 21 GLN HA 2.600 . 3.400 2.807 2.734 2.855 . 0 0 "[ . 1 . 2]" 1
1049 2 24 ILE HB 2 25 GLU H 2.400 . 3.100 2.641 2.374 2.855 . 0 0 "[ . 1 . 2]" 1
1050 2 25 GLU H 2 25 GLU HA 2.600 . 3.400 2.808 2.767 2.846 . 0 0 "[ . 1 . 2]" 1
1051 2 24 ILE HA 2 25 GLU H 3.300 . 4.600 3.541 3.507 3.570 . 0 0 "[ . 1 . 2]" 1
1052 2 25 GLU H 2 26 ILE H 2.900 . 4.000 2.646 2.526 2.791 . 0 0 "[ . 1 . 2]" 1
1053 2 23 THR H 2 25 GLU H 3.600 . 5.300 4.173 3.916 4.391 . 0 0 "[ . 1 . 2]" 1
1054 2 97 GLN H 2 97 GLN HB3 2.600 . 6.000 3.506 2.194 3.749 . 0 0 "[ . 1 . 2]" 1
1055 2 95 LYS HB3 2 97 GLN H 2.600 . 6.000 5.066 4.825 5.366 . 0 0 "[ . 1 . 2]" 1
1056 2 96 LYS HD3 2 97 GLN H 3.500 . 6.000 5.304 4.465 6.333 0.333 5 0 "[ . 1 . 2]" 1
1057 2 95 LYS HG2 2 97 GLN H 3.500 . 6.000 5.614 5.032 6.240 0.240 17 0 "[ . 1 . 2]" 1
1058 2 50 ALA HA 2 51 VAL H 3.100 . 4.300 3.538 3.512 3.560 . 0 0 "[ . 1 . 2]" 1
1059 2 51 VAL H 2 52 SER HB2 3.300 . 6.000 5.049 4.642 6.215 0.215 12 0 "[ . 1 . 2]" 1
1060 2 51 VAL H 2 51 VAL HA 2.800 . 3.800 2.822 2.798 2.846 . 0 0 "[ . 1 . 2]" 1
1061 2 26 ILE HG13 2 27 ALA H 3.400 . 4.800 4.244 4.036 4.929 0.129 6 0 "[ . 1 . 2]" 1
1062 2 26 ILE HB 2 27 ALA H 2.600 . 3.400 2.440 2.345 2.577 . 0 0 "[ . 1 . 2]" 1
1063 2 26 ILE HA 2 27 ALA H 3.300 . 4.700 3.540 3.527 3.558 . 0 0 "[ . 1 . 2]" 1
1064 2 27 ALA H 2 27 ALA HA 2.800 . 3.800 2.817 2.792 2.833 . 0 0 "[ . 1 . 2]" 1
1065 2 24 ILE HA 2 27 ALA H 3.500 . 5.000 3.617 3.422 3.953 . 0 0 "[ . 1 . 2]" 1
1066 2 37 GLN HB3 2 38 ALA H 3.300 . 4.700 3.682 3.137 4.137 . 0 0 "[ . 1 . 2]" 1
1067 2 37 GLN HB2 2 38 ALA H 2.900 . 4.000 2.830 2.061 3.101 . 0 0 "[ . 1 . 2]" 1
1068 2 38 ALA H 2 38 ALA HA 2.700 . 3.600 2.812 2.774 2.836 . 0 0 "[ . 1 . 2]" 1
1069 2 37 GLN HA 2 38 ALA H 3.500 . 5.000 3.500 3.429 3.567 . 0 0 "[ . 1 . 2]" 1
1070 2 59 TRP HB3 2 60 ALA H 2.700 . 3.600 2.616 2.398 2.781 . 0 0 "[ . 1 . 2]" 1
1071 2 59 TRP HB2 2 60 ALA H 2.700 . 6.000 3.749 3.613 3.856 . 0 0 "[ . 1 . 2]" 1
1072 2 79 PRO HB3 2 80 GLU H 2.700 . 6.000 3.205 2.862 3.677 . 0 0 "[ . 1 . 2]" 1
1073 2 80 GLU H 2 81 HIS HA 3.200 . 6.000 5.236 5.144 5.365 . 0 0 "[ . 1 . 2]" 1
1074 2 32 VAL H 2 32 VAL HA 2.900 . 4.000 2.850 2.794 2.928 . 0 0 "[ . 1 . 2]" 1
1075 2 31 LEU HA 2 32 VAL H 3.500 . 5.000 3.541 3.299 3.578 . 0 0 "[ . 1 . 2]" 1
1076 2 32 VAL H 2 32 VAL HB 2.700 . 3.600 2.605 2.481 2.748 . 0 0 "[ . 1 . 2]" 1
1077 2 31 LEU HB3 2 32 VAL H 3.400 . 4.800 3.208 2.371 4.531 . 0 0 "[ . 1 . 2]" 1
1078 2 62 PHE H 2 62 PHE HB3 2.800 . 3.800 2.493 2.278 2.736 . 0 0 "[ . 1 . 2]" 1
1079 2 62 PHE H 2 62 PHE HB2 2.800 . 3.800 2.571 2.392 2.768 . 0 0 "[ . 1 . 2]" 1
1080 2 61 ALA HA 2 62 PHE H 3.100 . 4.300 3.525 3.478 3.562 . 0 0 "[ . 1 . 2]" 1
1081 2 62 PHE H 2 62 PHE HA 2.800 . 3.800 2.831 2.799 2.862 . 0 0 "[ . 1 . 2]" 1
1082 2 62 PHE H 2 63 GLU H 2.900 . 3.900 2.632 2.485 2.853 . 0 0 "[ . 1 . 2]" 1
1083 2 85 ILE H 2 86 VAL H 3.200 . 4.500 2.350 2.272 2.477 . 0 0 "[ . 1 . 2]" 1
1084 2 86 VAL H 2 86 VAL HB 2.900 . 4.000 2.485 2.215 2.687 . 0 0 "[ . 1 . 2]" 1
1085 2 85 ILE HB 2 86 VAL H 3.000 . 4.100 2.932 2.772 3.059 . 0 0 "[ . 1 . 2]" 1
1086 2 83 ALA HA 2 86 VAL H 3.400 . 4.800 2.909 2.774 3.029 . 0 0 "[ . 1 . 2]" 1
1087 2 85 ILE HA 2 86 VAL H 3.000 . 4.200 3.471 3.441 3.496 . 0 0 "[ . 1 . 2]" 1
1088 2 86 VAL H 2 87 ARG H 3.200 . 4.400 2.652 2.532 2.796 . 0 0 "[ . 1 . 2]" 1
1089 2 81 HIS HA 2 82 GLN H 3.700 . 5.400 3.529 3.421 3.574 . 0 0 "[ . 1 . 2]" 1
1090 2 65 LYS H 2 66 ASN H 2.700 . 3.600 2.529 2.393 2.676 . 0 0 "[ . 1 . 2]" 1
1091 2 64 ASP HA 2 66 ASN H 3.500 . 5.000 3.881 3.601 4.362 . 0 0 "[ . 1 . 2]" 1
1092 2 65 LYS HB3 2 66 ASN H 3.200 . 4.500 3.473 2.738 4.287 . 0 0 "[ . 1 . 2]" 1
1093 2 65 LYS HB2 2 66 ASN H 3.000 . 4.200 3.673 3.171 4.212 0.012 9 0 "[ . 1 . 2]" 1
1094 2 63 GLU HA 2 66 ASN H 3.400 . 4.900 3.534 3.156 3.945 . 0 0 "[ . 1 . 2]" 1
1095 2 65 LYS HA 2 66 ASN H 2.900 . 4.000 3.394 3.223 3.519 . 0 0 "[ . 1 . 2]" 1
1096 2 40 PHE HA 2 44 LEU H 3.500 . 5.000 3.902 3.178 4.239 . 0 0 "[ . 1 . 2]" 1
1097 2 43 SER HA 2 44 LEU H 3.000 . 4.100 3.563 3.515 3.584 . 0 0 "[ . 1 . 2]" 1
1098 2 44 LEU H 2 44 LEU HA 2.700 . 3.600 2.909 2.880 2.931 . 0 0 "[ . 1 . 2]" 1
1099 2 64 ASP H 2 64 ASP HA 2.800 . 3.800 2.839 2.805 2.882 . 0 0 "[ . 1 . 2]" 1
1100 2 61 ALA HA 2 64 ASP H 3.200 . 4.500 3.590 3.323 4.302 . 0 0 "[ . 1 . 2]" 1
1101 2 62 PHE HA 2 64 ASP H 3.600 . 5.200 4.452 4.052 4.998 . 0 0 "[ . 1 . 2]" 1
1102 2 63 GLU HA 2 64 ASP H 3.300 . 4.700 3.525 3.473 3.566 . 0 0 "[ . 1 . 2]" 1
1103 2 11 GLN HG2 2 12 GLU H 3.400 . 4.800 4.482 2.741 4.950 0.150 17 0 "[ . 1 . 2]" 1
1104 2 12 GLU H 2 12 GLU HG2 2.800 . 3.800 3.437 2.401 4.439 0.639 3 2 "[ + . 1 -. 2]" 1
1105 2 12 GLU H 2 12 GLU HB3 2.300 . 6.000 3.402 3.091 3.580 . 0 0 "[ . 1 . 2]" 1
1106 2 12 GLU H 2 12 GLU HB2 2.500 . 3.300 2.186 2.045 2.441 . 0 0 "[ . 1 . 2]" 1
1107 2 8 SER HA 2 12 GLU H 3.600 . 5.200 4.589 4.262 5.196 . 0 0 "[ . 1 . 2]" 1
1108 2 9 GLN HA 2 12 GLU H 3.200 . 4.500 3.216 2.978 3.358 . 0 0 "[ . 1 . 2]" 1
1109 2 12 GLU H 2 12 GLU HA 2.600 . 3.400 2.822 2.793 2.846 . 0 0 "[ . 1 . 2]" 1
1110 2 12 GLU H 2 13 ALA HA 3.600 . 5.200 5.216 5.161 5.289 0.089 19 0 "[ . 1 . 2]" 1
1111 2 11 GLN HA 2 12 GLU H 3.100 . 4.300 3.501 3.449 3.549 . 0 0 "[ . 1 . 2]" 1
1112 2 11 GLN H 2 12 GLU H 2.800 . 3.800 2.605 2.475 2.790 . 0 0 "[ . 1 . 2]" 1
1113 2 64 ASP H 2 65 LYS H 3.000 . 4.100 2.575 2.361 2.675 . 0 0 "[ . 1 . 2]" 1
1114 2 64 ASP HA 2 65 LYS H 3.000 . 4.100 3.499 3.413 3.541 . 0 0 "[ . 1 . 2]" 1
1115 2 65 LYS H 2 65 LYS HA 2.600 . 3.500 2.857 2.817 2.916 . 0 0 "[ . 1 . 2]" 1
1116 2 62 PHE HA 2 65 LYS H 3.500 . 5.000 3.624 3.044 4.428 . 0 0 "[ . 1 . 2]" 1
1117 2 63 GLU HA 2 65 LYS H 3.600 . 5.200 4.268 3.792 4.587 . 0 0 "[ . 1 . 2]" 1
1118 2 57 ARG HA 2 58 VAL H 3.200 . 4.500 3.563 3.533 3.581 . 0 0 "[ . 1 . 2]" 1
1119 2 57 ARG QB 2 58 VAL H 3.200 . 4.500 2.449 2.244 2.662 . 0 0 "[ . 1 . 2]" 1
1120 2 86 VAL HA 2 87 ARG H 3.200 . 4.500 3.528 3.485 3.551 . 0 0 "[ . 1 . 2]" 1
1121 2 87 ARG H 2 87 ARG HA 2.900 . 3.900 2.815 2.754 2.850 . 0 0 "[ . 1 . 2]" 1
1122 2 56 HIS H 2 56 HIS HA 2.800 . 3.800 2.821 2.812 2.833 . 0 0 "[ . 1 . 2]" 1
1123 2 55 VAL HA 2 56 HIS H 2.400 . 6.000 3.531 3.505 3.555 . 0 0 "[ . 1 . 2]" 1
1124 2 56 HIS H 2 57 ARG H 2.900 . 4.000 2.690 2.631 2.754 . 0 0 "[ . 1 . 2]" 1
1125 2 55 VAL H 2 56 HIS H 2.900 . 3.900 2.622 2.535 2.756 . 0 0 "[ . 1 . 2]" 1
1126 2 54 ALA H 2 56 HIS H 3.700 . 5.400 4.066 3.833 4.209 . 0 0 "[ . 1 . 2]" 1
1127 2 56 HIS H 2 58 VAL H 3.400 . 4.900 4.477 4.354 4.571 . 0 0 "[ . 1 . 2]" 1
1128 2 32 VAL H 2 33 ASP H 2.600 . 3.500 2.626 2.321 2.846 . 0 0 "[ . 1 . 2]" 1
1129 2 32 VAL HA 2 33 ASP H 3.200 . 4.500 3.535 3.372 3.572 . 0 0 "[ . 1 . 2]" 1
1130 2 33 ASP H 2 33 ASP HA 2.800 . 3.800 2.893 2.863 2.941 . 0 0 "[ . 1 . 2]" 1
1131 2 33 ASP H 2 34 GLY HA2 3.300 . 4.700 4.592 4.431 4.770 0.070 16 0 "[ . 1 . 2]" 1
1132 2 33 ASP H 2 33 ASP HB2 3.400 . 4.800 2.518 2.229 2.858 . 0 0 "[ . 1 . 2]" 1
1133 2 33 ASP H 2 33 ASP HB3 2.900 . 3.900 2.694 2.443 2.997 . 0 0 "[ . 1 . 2]" 1
1134 2 32 VAL HB 2 33 ASP H 2.700 . 3.600 2.609 2.341 3.380 . 0 0 "[ . 1 . 2]" 1
1135 2 42 THR H 2 43 SER H 2.700 . 3.600 2.600 2.514 2.746 . 0 0 "[ . 1 . 2]" 1
1136 2 43 SER H 2 44 LEU H 2.700 . 3.600 2.673 2.455 2.830 . 0 0 "[ . 1 . 2]" 1
1137 2 43 SER H 2 44 LEU HA 3.500 . 6.000 5.270 5.109 5.379 . 0 0 "[ . 1 . 2]" 1
1138 2 40 PHE HA 2 43 SER H 3.000 . 4.100 3.452 2.971 3.959 . 0 0 "[ . 1 . 2]" 1
1139 2 42 THR HA 2 43 SER H 2.900 . 3.900 3.522 3.480 3.564 . 0 0 "[ . 1 . 2]" 1
1140 2 30 VAL HB 2 31 LEU H 3.000 . 4.100 3.027 2.666 4.045 . 0 0 "[ . 1 . 2]" 1
1141 2 11 GLN H 2 11 GLN HG2 2.800 . 3.800 3.321 2.175 4.479 0.679 9 2 "[ . +1 .- 2]" 1
1142 2 11 GLN H 2 11 GLN HB3 2.500 . 3.300 3.069 2.046 3.532 0.232 11 0 "[ . 1 . 2]" 1
1143 2 10 PHE H 2 11 GLN H 3.100 . 4.300 2.692 2.568 2.833 . 0 0 "[ . 1 . 2]" 1
1144 2 8 SER HA 2 11 GLN H 3.200 . 4.500 3.736 3.519 3.898 . 0 0 "[ . 1 . 2]" 1
1145 2 11 GLN H 2 12 GLU HA 3.300 . 6.000 5.228 5.105 5.376 . 0 0 "[ . 1 . 2]" 1
1146 2 11 GLN H 2 11 GLN HA 2.800 . 3.800 2.812 2.758 2.841 . 0 0 "[ . 1 . 2]" 1
1147 2 54 ALA HA 2 55 VAL H 3.200 . 4.500 3.548 3.514 3.566 . 0 0 "[ . 1 . 2]" 1
1148 2 55 VAL H 2 55 VAL HA 2.900 . 3.900 2.828 2.786 2.852 . 0 0 "[ . 1 . 2]" 1
1149 2 55 VAL H 2 55 VAL HB 2.600 . 3.400 2.686 2.436 2.880 . 0 0 "[ . 1 . 2]" 1
1150 2 99 THR H 2 99 THR HA 2.300 . 2.900 2.809 2.252 2.946 0.046 4 0 "[ . 1 . 2]" 1
1151 2 99 THR H 2 99 THR HB 2.600 . 6.000 3.224 2.627 4.053 . 0 0 "[ . 1 . 2]" 1
1152 2 98 GLU HB2 2 99 THR H 3.100 . 4.300 4.217 3.741 4.510 0.210 6 0 "[ . 1 . 2]" 1
1153 2 99 THR H 2 99 THR HG1 2.800 . 3.800 2.466 1.770 3.854 0.054 16 0 "[ . 1 . 2]" 1
1154 2 52 SER H 2 54 ALA H 3.700 . 5.400 4.231 4.081 4.447 . 0 0 "[ . 1 . 2]" 1
1155 2 52 SER H 2 52 SER HB3 2.600 . 3.500 3.436 2.595 3.584 0.084 20 0 "[ . 1 . 2]" 1
1156 2 52 SER H 2 52 SER HB2 2.300 . 3.000 2.644 2.349 3.579 0.579 12 2 "[ . 1-+ . 2]" 1
1157 2 51 VAL HA 2 52 SER H 3.200 . 4.500 3.549 3.524 3.569 . 0 0 "[ . 1 . 2]" 1
1158 2 51 VAL HB 2 52 SER H 2.700 . 3.600 2.589 2.431 2.715 . 0 0 "[ . 1 . 2]" 1
1159 2 16 GLY H 2 16 GLY HA2 2.800 . 3.800 2.866 2.372 2.956 . 0 0 "[ . 1 . 2]" 1
1160 2 15 GLN HG2 2 16 GLY H 3.300 . 4.700 4.179 2.559 5.528 0.828 1 2 "[+ . 1 . -]" 1
1161 2 15 GLN HB2 2 16 GLY H 3.200 . 4.500 3.583 2.795 4.589 0.089 14 0 "[ . 1 . 2]" 1
1162 2 76 ALA H 2 77 VAL H 3.800 . 5.600 4.386 4.310 4.482 . 0 0 "[ . 1 . 2]" 1
1163 2 12 GLU H 2 14 ILE H 3.800 . 5.600 4.267 4.093 4.430 . 0 0 "[ . 1 . 2]" 1
1164 2 100 LYS H 2 100 LYS HA 2.300 . 3.000 2.834 2.251 2.943 . 0 0 "[ . 1 . 2]" 1
1165 2 34 GLY H 2 34 GLY HA3 2.500 . 3.300 2.876 2.812 2.954 . 0 0 "[ . 1 . 2]" 1
1166 2 34 GLY H 2 34 GLY HA2 2.500 . 3.300 2.332 2.288 2.440 . 0 0 "[ . 1 . 2]" 1
1167 2 47 THR H 2 49 GLY H 3.800 . 5.600 5.356 5.129 5.589 . 0 0 "[ . 1 . 2]" 1
1168 2 47 THR HA 2 49 GLY H 3.900 . 5.800 4.334 4.153 4.670 . 0 0 "[ . 1 . 2]" 1
1169 2 48 ARG HA 2 49 GLY H 3.100 . 4.300 3.523 3.492 3.550 . 0 0 "[ . 1 . 2]" 1
1170 2 48 ARG QB 2 49 GLY H 3.800 . 5.600 2.679 2.441 3.523 . 0 0 "[ . 1 . 2]" 1
1171 2 6 THR H 2 10 PHE H 3.800 . 5.600 4.322 3.780 4.773 . 0 0 "[ . 1 . 2]" 1
1172 2 53 GLN H 2 54 ALA H 2.700 . 3.600 2.576 2.500 2.684 . 0 0 "[ . 1 . 2]" 1
1173 2 84 TYR HA 2 85 ILE H 3.500 . 5.100 3.536 3.514 3.551 . 0 0 "[ . 1 . 2]" 1
1174 2 85 ILE H 2 85 ILE HA 3.000 . 4.100 2.879 2.841 2.895 . 0 0 "[ . 1 . 2]" 1
1175 2 84 TYR HB2 2 85 ILE H 3.300 . 4.600 3.869 3.742 4.015 . 0 0 "[ . 1 . 2]" 1
1176 2 84 TYR HB3 2 85 ILE H 3.200 . 4.500 2.521 2.369 2.697 . 0 0 "[ . 1 . 2]" 1
1177 2 85 ILE H 2 86 VAL HB 3.900 . 5.800 4.541 4.245 4.832 . 0 0 "[ . 1 . 2]" 1
1178 2 85 ILE H 2 85 ILE HB 2.700 . 3.600 2.921 2.792 3.030 . 0 0 "[ . 1 . 2]" 1
1179 2 8 SER H 2 10 PHE H 3.000 . 4.100 3.801 3.613 3.932 . 0 0 "[ . 1 . 2]" 1
1180 2 58 VAL H 2 59 TRP H 2.700 . 3.600 2.636 2.570 2.704 . 0 0 "[ . 1 . 2]" 1
1181 2 71 TYR H 2 72 ALA H 3.400 . 4.800 4.392 4.096 4.607 . 0 0 "[ . 1 . 2]" 1
1182 2 6 THR H 2 7 GLU H 4.100 . 6.000 4.579 4.534 4.643 . 0 0 "[ . 1 . 2]" 1
1183 2 88 LYS H 2 89 TRP H 3.000 . 4.100 2.467 2.357 2.572 . 0 0 "[ . 1 . 2]" 1
1184 2 72 ALA H 2 73 ARG H 3.700 . 5.400 4.357 4.051 4.506 . 0 0 "[ . 1 . 2]" 1
1185 2 87 ARG H 2 88 LYS H 3.000 . 4.100 2.641 2.528 2.866 . 0 0 "[ . 1 . 2]" 1
1186 2 54 ALA H 2 55 VAL H 2.700 . 3.600 2.660 2.497 2.775 . 0 0 "[ . 1 . 2]" 1
1187 2 88 LYS H 2 88 LYS HA 2.700 . 3.600 2.862 2.843 2.888 . 0 0 "[ . 1 . 2]" 1
1188 2 87 ARG HA 2 88 LYS H 3.200 . 4.500 3.498 3.441 3.534 . 0 0 "[ . 1 . 2]" 1
1189 2 77 VAL H 2 78 LEU HA 4.000 . 6.000 5.395 5.071 5.586 . 0 0 "[ . 1 . 2]" 1
1190 2 49 GLY H 2 50 ALA H 3.900 . 5.800 2.648 2.533 2.859 . 0 0 "[ . 1 . 2]" 1
1191 2 18 GLU H 2 19 VAL H 2.900 . 3.900 3.908 3.660 3.974 0.074 2 0 "[ . 1 . 2]" 1
1192 2 18 GLU HA 2 19 VAL H 2.100 . 2.700 2.245 2.184 2.296 . 0 0 "[ . 1 . 2]" 1
1193 2 19 VAL H 2 19 VAL HB 2.500 . 6.000 3.692 3.430 3.853 . 0 0 "[ . 1 . 2]" 1
1194 2 22 GLN HB3 2 23 THR H 2.600 . 3.500 3.111 2.318 3.691 0.191 13 0 "[ . 1 . 2]" 1
1195 2 18 GLU HB3 2 19 VAL H 3.100 . 4.300 4.194 4.026 4.494 0.194 13 0 "[ . 1 . 2]" 1
1196 2 17 LEU HB2 2 19 VAL H 3.300 . 6.000 4.802 4.181 5.338 . 0 0 "[ . 1 . 2]" 1
1197 2 17 LEU HB3 2 19 VAL H 3.100 . 6.000 3.911 3.364 4.444 . 0 0 "[ . 1 . 2]" 1
1198 2 22 GLN HA 2 23 THR H 3.100 . 4.300 3.548 3.484 3.572 . 0 0 "[ . 1 . 2]" 1
1199 2 30 VAL H 2 31 LEU H 2.900 . 3.900 2.501 2.136 2.735 . 0 0 "[ . 1 . 2]" 1
1200 2 29 GLY H 2 30 VAL H 3.300 . 4.700 2.185 2.012 2.483 . 0 0 "[ . 1 . 2]" 1
1201 2 55 VAL H 2 58 VAL H 3.900 . 5.800 5.012 4.811 5.123 . 0 0 "[ . 1 . 2]" 1
1202 2 29 GLY H 2 33 ASP H 3.900 . 5.800 4.748 4.375 5.405 . 0 0 "[ . 1 . 2]" 1
1203 2 27 ALA H 2 29 GLY H 3.900 . 5.800 4.264 3.999 4.363 . 0 0 "[ . 1 . 2]" 1
1204 2 3 LYS H 2 4 ARG H 3.500 . 5.000 4.342 3.446 4.612 . 0 0 "[ . 1 . 2]" 1
1205 2 6 THR H 2 8 SER H 4.300 . 6.000 5.014 4.689 5.259 . 0 0 "[ . 1 . 2]" 1
1206 2 7 GLU H 2 9 GLN H 4.400 . 6.000 4.430 4.047 4.753 . 0 0 "[ . 1 . 2]" 1
1207 2 10 PHE H 2 12 GLU H 4.200 . 6.000 3.972 3.766 4.245 . 0 0 "[ . 1 . 2]" 1
1208 2 10 PHE H 2 10 PHE HA 2.900 . 4.000 2.811 2.781 2.835 . 0 0 "[ . 1 . 2]" 1
1209 2 10 PHE H 2 10 PHE HB3 2.900 . 3.900 2.467 2.269 2.768 . 0 0 "[ . 1 . 2]" 1
1210 2 31 LEU H 2 33 ASP H 3.800 . 5.600 3.856 3.620 4.112 . 0 0 "[ . 1 . 2]" 1
1211 2 33 ASP H 2 35 LYS H 3.800 . 5.600 4.021 3.231 4.597 . 0 0 "[ . 1 . 2]" 1
1212 2 39 THR H 2 40 PHE H 2.600 . 3.400 2.601 2.465 2.754 . 0 0 "[ . 1 . 2]" 1
1213 2 38 ALA H 2 40 PHE H 4.300 . 6.000 4.204 3.881 4.647 . 0 0 "[ . 1 . 2]" 1
1214 2 41 ALA H 2 43 SER H 3.800 . 5.600 4.061 3.941 4.177 . 0 0 "[ . 1 . 2]" 1
1215 2 48 ARG H 2 49 GLY H 4.200 . 6.000 2.664 2.484 2.881 . 0 0 "[ . 1 . 2]" 1
1216 2 53 GLN H 2 55 VAL H 3.400 . 4.900 4.201 3.955 4.338 . 0 0 "[ . 1 . 2]" 1
1217 2 57 ARG H 2 60 ALA H 3.800 . 5.600 4.701 4.491 4.847 . 0 0 "[ . 1 . 2]" 1
1218 2 63 GLU H 2 65 LYS H 3.800 . 5.600 4.074 3.851 4.217 . 0 0 "[ . 1 . 2]" 1
1219 2 61 ALA H 2 63 GLU H 3.500 . 5.000 4.115 3.820 4.559 . 0 0 "[ . 1 . 2]" 1
1220 2 65 LYS H 2 67 LEU H 4.200 . 6.000 4.193 3.832 4.684 . 0 0 "[ . 1 . 2]" 1
1221 2 64 ASP H 2 66 ASN H 3.900 . 5.800 3.959 3.697 4.271 . 0 0 "[ . 1 . 2]" 1
1222 2 82 GLN H 2 84 TYR H 3.800 . 5.600 4.155 3.828 4.356 . 0 0 "[ . 1 . 2]" 1
1223 2 5 LEU H 2 6 THR H 3.700 . 5.400 4.453 4.318 4.546 . 0 0 "[ . 1 . 2]" 1
1224 2 4 ARG H 2 5 LEU H 3.300 . 4.700 4.467 4.319 4.579 . 0 0 "[ . 1 . 2]" 1
1225 2 5 LEU HB2 2 6 THR H 3.900 . 5.800 4.004 2.379 4.453 . 0 0 "[ . 1 . 2]" 1
1226 2 5 LEU HB3 2 6 THR H 3.900 . 5.800 3.426 2.500 4.200 . 0 0 "[ . 1 . 2]" 1
1227 2 30 VAL HA 2 31 LEU H 3.800 . 5.600 3.541 3.434 3.596 . 0 0 "[ . 1 . 2]" 1
1228 2 64 ASP HB2 2 65 LYS H 3.100 . 4.300 3.898 3.489 4.193 . 0 0 "[ . 1 . 2]" 1
1229 2 64 ASP HB3 2 65 LYS H 3.100 . 4.300 2.832 2.603 3.191 . 0 0 "[ . 1 . 2]" 1
1230 2 43 SER QB 2 44 LEU H 2.800 . 3.800 2.537 2.345 2.864 . 0 0 "[ . 1 . 2]" 1
1231 2 56 HIS QB 2 57 ARG H 2.700 . 3.600 2.603 2.368 2.801 . 0 0 "[ . 1 . 2]" 1
1232 2 81 HIS HB3 2 82 GLN H 3.700 . 5.500 3.015 2.158 3.742 . 0 0 "[ . 1 . 2]" 1
1233 2 81 HIS HB2 2 82 GLN H 3.800 . 5.600 3.146 2.403 3.976 . 0 0 "[ . 1 . 2]" 1
1234 2 17 LEU HB2 2 18 GLU H 3.200 . 4.500 4.192 3.796 4.609 0.109 18 0 "[ . 1 . 2]" 1
1235 2 24 ILE HA 2 28 ARG H 3.900 . 5.800 4.277 3.997 4.614 . 0 0 "[ . 1 . 2]" 1
1236 2 34 GLY HA2 2 35 LYS H 3.000 . 4.100 2.788 2.625 3.308 . 0 0 "[ . 1 . 2]" 1
1237 2 34 GLY HA3 2 35 LYS H 3.000 . 4.100 3.499 3.196 3.577 . 0 0 "[ . 1 . 2]" 1
1238 2 39 THR H 2 40 PHE HA 3.900 . 5.800 5.209 5.065 5.334 . 0 0 "[ . 1 . 2]" 1
1239 2 53 GLN H 2 53 GLN HA 2.400 . 3.100 2.833 2.801 2.850 . 0 0 "[ . 1 . 2]" 1
1240 2 52 SER HB2 2 53 GLN H 2.600 . 6.000 3.135 2.776 3.939 . 0 0 "[ . 1 . 2]" 1
1241 2 63 GLU H 2 63 GLU HA 2.700 . 3.600 2.828 2.789 2.855 . 0 0 "[ . 1 . 2]" 1
1242 2 62 PHE HA 2 63 GLU H 2.800 . 3.800 3.539 3.503 3.576 . 0 0 "[ . 1 . 2]" 1
1243 2 63 GLU H 2 64 ASP HA 4.200 . 6.000 5.251 5.123 5.373 . 0 0 "[ . 1 . 2]" 1
1244 2 71 TYR H 2 71 TYR HA 3.000 . 4.100 2.928 2.873 2.952 . 0 0 "[ . 1 . 2]" 1
1245 2 70 GLY HA3 2 71 TYR H 2.900 . 4.000 3.246 2.447 3.558 . 0 0 "[ . 1 . 2]" 1
1246 2 71 TYR H 2 71 TYR HB2 2.800 . 3.800 2.738 2.121 3.904 0.104 9 0 "[ . 1 . 2]" 1
1247 2 71 TYR H 2 71 TYR HB3 3.000 . 4.100 3.484 2.935 3.883 . 0 0 "[ . 1 . 2]" 1
1248 2 82 GLN H 2 83 ALA HA 3.300 . 6.000 5.074 4.986 5.179 . 0 0 "[ . 1 . 2]" 1
1249 2 89 TRP H 2 89 TRP HA 2.900 . 4.000 2.848 2.811 2.878 . 0 0 "[ . 1 . 2]" 1
1250 2 88 LYS HA 2 89 TRP H 2.700 . 3.600 3.513 3.473 3.558 . 0 0 "[ . 1 . 2]" 1
1251 2 89 TRP HA 2 90 GLU H 3.000 . 4.100 3.468 3.421 3.532 . 0 0 "[ . 1 . 2]" 1
1252 2 90 GLU H 2 90 GLU HA 2.800 . 3.800 2.796 2.770 2.865 . 0 0 "[ . 1 . 2]" 1
1253 2 90 GLU HA 2 91 ALA H 2.800 . 3.800 3.535 3.473 3.555 . 0 0 "[ . 1 . 2]" 1
1254 2 91 ALA H 2 92 ASP HA 3.600 . 5.200 5.101 4.964 5.227 0.027 2 0 "[ . 1 . 2]" 1
1255 2 92 ASP H 2 93 ALA HA 3.800 . 5.600 5.176 4.996 5.296 . 0 0 "[ . 1 . 2]" 1
1256 2 98 GLU HA 2 99 THR H 2.400 . 3.100 2.356 2.086 2.873 . 0 0 "[ . 1 . 2]" 1
1257 2 47 THR HA 2 50 ALA H 3.800 . 5.600 4.545 4.312 4.676 . 0 0 "[ . 1 . 2]" 1
1258 2 50 ALA H 2 51 VAL HA 4.000 . 6.000 5.202 5.101 5.350 . 0 0 "[ . 1 . 2]" 1
1259 2 40 PHE HB2 2 43 SER H 3.900 . 5.800 5.721 5.326 5.889 0.089 14 0 "[ . 1 . 2]" 1
1260 2 12 GLU QB 2 14 ILE H 3.800 . 5.600 4.818 4.529 4.958 . 0 0 "[ . 1 . 2]" 1
1261 2 89 TRP HA 2 89 TRP HE1 3.000 . 6.000 4.853 4.481 5.204 . 0 0 "[ . 1 . 2]" 1
1262 2 74 VAL HB 2 76 ALA H 3.900 . 5.800 5.340 5.035 5.752 . 0 0 "[ . 1 . 2]" 1
1263 2 100 LYS H 2 100 LYS HB2 2.600 . 3.400 2.894 2.122 3.853 0.453 11 0 "[ . 1 . 2]" 1
1264 2 100 LYS H 2 100 LYS HG2 3.100 . 4.300 3.454 1.845 4.584 0.284 7 0 "[ . 1 . 2]" 1
1265 2 16 GLY H 2 17 LEU HB3 3.900 . 5.800 5.509 5.238 5.793 . 0 0 "[ . 1 . 2]" 1
1266 2 26 ILE H 2 27 ALA H 2.700 . 3.600 2.590 2.521 2.689 . 0 0 "[ . 1 . 2]" 1
1267 2 23 THR HA 2 26 ILE H 3.400 . 4.800 3.608 3.234 4.052 . 0 0 "[ . 1 . 2]" 1
1268 2 26 ILE H 2 26 ILE HA 2.900 . 3.900 2.854 2.836 2.871 . 0 0 "[ . 1 . 2]" 1
1269 2 26 ILE H 2 26 ILE HB 2.600 . 3.400 2.538 2.447 2.650 . 0 0 "[ . 1 . 2]" 1
1270 2 26 ILE H 2 26 ILE HG12 4.100 . 6.000 3.482 2.382 3.843 . 0 0 "[ . 1 . 2]" 1
1271 2 29 GLY HA2 2 30 VAL H 3.200 . 4.500 3.462 3.208 3.584 . 0 0 "[ . 1 . 2]" 1
1272 2 30 VAL H 2 30 VAL HA 2.900 . 4.000 2.856 2.794 2.940 . 0 0 "[ . 1 . 2]" 1
1273 2 62 PHE HB3 2 63 GLU H 3.000 . 4.100 2.572 2.293 2.774 . 0 0 "[ . 1 . 2]" 1
1274 2 62 PHE HB2 2 63 GLU H 3.000 . 4.100 3.853 3.720 3.992 . 0 0 "[ . 1 . 2]" 1
1275 2 80 GLU HA 2 81 HIS H 3.900 . 5.800 3.466 3.413 3.536 . 0 0 "[ . 1 . 2]" 1
1276 2 81 HIS H 2 81 HIS HB3 3.500 . 5.000 3.206 2.614 3.622 . 0 0 "[ . 1 . 2]" 1
1277 2 81 HIS H 2 81 HIS HB2 3.600 . 5.200 2.292 2.044 2.511 . 0 0 "[ . 1 . 2]" 1
1278 2 4 ARG HA 2 5 LEU H 2.500 . 3.300 2.331 2.114 2.545 . 0 0 "[ . 1 . 2]" 1
1279 2 5 LEU H 2 5 LEU HA 3.000 . 4.200 2.940 2.884 2.951 . 0 0 "[ . 1 . 2]" 1
1280 2 4 ARG HD3 2 5 LEU H 3.600 . 5.200 4.871 3.477 6.049 0.849 18 1 "[ . 1 . + 2]" 1
1281 2 5 LEU H 2 5 LEU HB3 2.900 . 3.900 2.961 2.647 3.734 . 0 0 "[ . 1 . 2]" 1
1282 2 4 ARG QB 2 5 LEU H 3.000 . 4.100 2.746 2.081 3.703 . 0 0 "[ . 1 . 2]" 1
1283 2 26 ILE H 2 28 ARG H 5.000 . 6.000 3.834 3.639 4.015 . 0 0 "[ . 1 . 2]" 1
1284 2 82 GLN HA 2 85 ILE H 3.500 . 5.000 3.670 3.522 3.850 . 0 0 "[ . 1 . 2]" 1
1285 2 83 ALA H 2 84 TYR HB3 3.800 . 5.600 4.801 4.582 5.246 . 0 0 "[ . 1 . 2]" 1
1286 2 74 VAL H 2 75 THR HA 3.900 . 5.800 5.225 5.077 5.314 . 0 0 "[ . 1 . 2]" 1
1287 1 76 ALA H 2 74 VAL H 3.200 . 4.400 3.610 3.184 4.068 . 0 0 "[ . 1 . 2]" 1
1288 1 75 THR HA 1 76 ALA H 3.200 . 4.400 2.146 2.117 2.175 . 0 0 "[ . 1 . 2]" 1
1289 1 75 THR HB 1 76 ALA H 3.400 . 4.800 3.973 3.220 4.281 . 0 0 "[ . 1 . 2]" 1
1290 1 73 ARG HA 1 74 VAL H 2.700 . 3.600 2.144 2.090 2.174 . 0 0 "[ . 1 . 2]" 1
1291 1 74 VAL H 1 74 VAL HA 3.000 . 4.200 2.915 2.899 2.939 . 0 0 "[ . 1 . 2]" 1
1292 1 74 VAL H 1 74 VAL HB 3.200 . 4.500 3.682 3.648 3.741 . 0 0 "[ . 1 . 2]" 1
1293 1 73 ARG HB2 1 74 VAL H 3.500 . 5.000 4.009 3.173 4.600 . 0 0 "[ . 1 . 2]" 1
1294 1 77 VAL HA 1 78 LEU H 2.800 . 3.800 2.139 2.082 2.216 . 0 0 "[ . 1 . 2]" 1
1295 1 71 TYR HA 1 72 ALA H 2.700 . 3.600 2.209 2.106 2.502 . 0 0 "[ . 1 . 2]" 1
1296 1 71 TYR HB2 1 72 ALA H 3.300 . 4.600 4.028 2.197 4.530 . 0 0 "[ . 1 . 2]" 1
1297 1 71 TYR HB3 1 72 ALA H 3.200 . 4.500 3.437 2.320 4.323 . 0 0 "[ . 1 . 2]" 1
1298 1 74 VAL H 2 76 ALA H 3.200 . 4.400 3.542 3.096 4.335 . 0 0 "[ . 1 . 2]" 1
1299 2 75 THR HA 2 76 ALA H 3.200 . 4.400 2.150 2.117 2.190 . 0 0 "[ . 1 . 2]" 1
1300 2 75 THR HB 2 76 ALA H 3.400 . 4.800 3.982 3.416 4.204 . 0 0 "[ . 1 . 2]" 1
1301 2 73 ARG HA 2 74 VAL H 2.700 . 3.600 2.145 2.098 2.198 . 0 0 "[ . 1 . 2]" 1
1302 2 74 VAL H 2 74 VAL HA 3.000 . 4.200 2.915 2.892 2.945 . 0 0 "[ . 1 . 2]" 1
1303 2 74 VAL H 2 74 VAL HB 3.200 . 4.500 3.676 3.619 3.736 . 0 0 "[ . 1 . 2]" 1
1304 2 73 ARG HB2 2 74 VAL H 3.500 . 5.000 3.959 2.996 4.616 . 0 0 "[ . 1 . 2]" 1
1305 2 77 VAL HA 2 78 LEU H 2.800 . 3.800 2.142 2.104 2.235 . 0 0 "[ . 1 . 2]" 1
1306 2 71 TYR HA 2 72 ALA H 2.700 . 3.600 2.215 2.088 2.438 . 0 0 "[ . 1 . 2]" 1
1307 2 71 TYR HB2 2 72 ALA H 3.300 . 4.600 3.913 2.349 4.530 . 0 0 "[ . 1 . 2]" 1
1308 2 71 TYR HB3 2 72 ALA H 3.200 . 4.500 3.359 2.659 4.134 . 0 0 "[ . 1 . 2]" 1
1309 1 80 GLU HA 2 74 VAL HB 2.500 . 6.000 6.024 5.559 6.146 0.146 11 0 "[ . 1 . 2]" 1
1310 1 7 GLU HA 1 11 GLN HB2 2.500 . 6.000 5.444 4.855 6.722 0.722 20 1 "[ . 1 . +]" 1
1311 1 89 TRP HB3 1 90 GLU HA 2.500 . 6.000 4.313 4.074 4.625 . 0 0 "[ . 1 . 2]" 1
1312 1 74 VAL HA 1 74 VAL HB 2.500 . 3.300 2.478 2.434 2.524 . 0 0 "[ . 1 . 2]" 1
1313 1 4 ARG HA 1 31 LEU HA 3.000 . 4.100 3.596 2.695 4.087 . 0 0 "[ . 1 . 2]" 1
1314 1 17 LEU HA 1 17 LEU HG 2.100 . 6.000 3.625 3.509 3.718 . 0 0 "[ . 1 . 2]" 1
1315 1 17 LEU HA 1 17 LEU HB3 2.200 . 2.800 2.693 2.579 2.815 0.015 1 0 "[ . 1 . 2]" 1
1316 1 35 LYS HA 1 36 PRO HA 2.500 . 6.000 4.456 4.356 4.666 . 0 0 "[ . 1 . 2]" 1
1317 1 18 GLU HA 1 18 GLU HB3 2.300 . 2.900 2.464 2.236 2.843 . 0 0 "[ . 1 . 2]" 1
1318 1 83 ALA HA 1 86 VAL HB 2.800 . 3.800 1.959 1.743 2.361 0.057 9 0 "[ . 1 . 2]" 1
1319 1 3 LYS HA 1 3 LYS HB3 2.500 . 3.300 2.725 2.410 3.031 . 0 0 "[ . 1 . 2]" 1
1320 1 3 LYS HA 1 3 LYS HD3 2.500 . 6.000 3.982 2.114 4.806 . 0 0 "[ . 1 . 2]" 1
1321 1 3 LYS HA 1 3 LYS HG2 2.500 . 3.300 2.661 2.059 3.670 0.370 16 0 "[ . 1 . 2]" 1
1322 1 4 ARG QG 1 33 ASP HB3 2.800 . 6.000 5.516 4.805 5.837 . 0 0 "[ . 1 . 2]" 1
1323 1 29 GLY HA2 1 33 ASP HB2 3.000 . 4.100 2.376 1.933 2.797 . 0 0 "[ . 1 . 2]" 1
1324 1 29 GLY HA3 1 33 ASP HB2 2.800 . 3.800 3.908 3.436 4.324 0.524 9 1 "[ . +1 . 2]" 1
1325 1 29 GLY HA3 1 33 ASP HB3 2.800 . 6.000 4.023 3.112 4.754 . 0 0 "[ . 1 . 2]" 1
1326 1 29 GLY HA2 1 33 ASP HB3 3.000 . 4.100 2.957 2.143 3.840 . 0 0 "[ . 1 . 2]" 1
1327 1 12 GLU HA 1 12 GLU HB3 2.200 . 2.800 2.663 2.496 2.872 0.072 1 0 "[ . 1 . 2]" 1
1328 1 12 GLU HA 1 15 GLN HB2 2.200 . 6.000 3.160 2.304 4.588 . 0 0 "[ . 1 . 2]" 1
1329 1 19 VAL HB 1 23 THR HG1 2.500 . 6.000 3.481 2.062 4.539 . 0 0 "[ . 1 . 2]" 1
1330 1 11 GLN HA 1 14 ILE HG12 2.600 . 3.500 2.296 2.129 2.533 . 0 0 "[ . 1 . 2]" 1
1331 1 11 GLN HA 1 14 ILE HG13 2.700 . 3.600 2.837 2.335 3.391 . 0 0 "[ . 1 . 2]" 1
1332 1 90 GLU HA 1 90 GLU HB3 2.400 . 3.100 2.958 2.517 3.025 . 0 0 "[ . 1 . 2]" 1
1333 1 90 GLU HA 1 92 ASP HB2 2.800 . 6.000 6.023 5.541 6.592 0.592 18 3 "[ . 1 * - + 2]" 1
1334 1 86 VAL HA 1 90 GLU HA 2.800 . 6.000 6.058 5.947 6.146 0.146 2 0 "[ . 1 . 2]" 1
1335 1 73 ARG HA 2 77 VAL HA 3.100 . 4.300 2.048 1.757 2.271 0.143 13 0 "[ . 1 . 2]" 1
1336 1 68 PRO HB3 1 68 PRO HD3 2.800 . 6.000 3.974 3.830 4.050 . 0 0 "[ . 1 . 2]" 1
1337 1 68 PRO HB2 1 68 PRO HD3 2.700 . 6.000 3.985 3.894 4.081 . 0 0 "[ . 1 . 2]" 1
1338 1 46 LEU HA 1 46 LEU HB3 2.600 . 3.400 2.527 2.294 2.715 . 0 0 "[ . 1 . 2]" 1
1339 1 92 ASP HA 1 92 ASP HB3 2.500 . 3.300 2.975 2.869 3.028 . 0 0 "[ . 1 . 2]" 1
1340 1 92 ASP HA 1 92 ASP HB2 2.500 . 3.300 2.606 2.381 2.826 . 0 0 "[ . 1 . 2]" 1
1341 1 92 ASP HA 1 95 LYS HB3 2.500 . 6.000 2.889 2.269 3.609 . 0 0 "[ . 1 . 2]" 1
1342 1 92 ASP HA 1 95 LYS HB2 2.700 . 3.600 2.717 1.972 3.588 . 0 0 "[ . 1 . 2]" 1
1343 1 14 ILE HA 1 14 ILE HB 2.400 . 3.100 2.473 2.428 2.505 . 0 0 "[ . 1 . 2]" 1
1344 1 14 ILE HA 1 17 LEU HB3 2.400 . 6.000 3.783 3.018 4.754 . 0 0 "[ . 1 . 2]" 1
1345 1 37 GLN HG2 1 55 VAL HB 2.300 . 6.000 4.041 3.224 6.025 0.025 16 0 "[ . 1 . 2]" 1
1346 1 41 ALA HA 1 46 LEU HB3 2.700 . 6.000 3.783 3.075 4.511 . 0 0 "[ . 1 . 2]" 1
1347 1 5 LEU HA 1 6 THR HG1 2.800 . 6.000 4.845 3.880 5.703 . 0 0 "[ . 1 . 2]" 1
1348 1 53 GLN HA 1 56 HIS HB2 2.400 . 3.100 2.914 2.434 3.895 0.795 9 2 "[- . +1 . 2]" 1
1349 1 19 VAL HA 1 20 GLY HA2 3.000 . 6.000 4.299 4.262 4.329 . 0 0 "[ . 1 . 2]" 1
1350 1 21 GLN HA 1 25 GLU QB 2.300 . 6.000 4.819 4.202 5.426 . 0 0 "[ . 1 . 2]" 1
1351 1 53 GLN HA 1 53 GLN HG2 2.400 . 3.100 2.725 2.033 3.852 0.752 10 2 "[ .- + . 2]" 1
1352 1 22 GLN HA 1 25 GLU HG2 2.800 . 6.000 4.268 1.735 5.924 . 0 0 "[ . 1 . 2]" 1
1353 1 22 GLN HA 1 22 GLN HB3 2.300 . 3.000 2.720 2.408 3.023 0.023 19 0 "[ . 1 . 2]" 1
1354 1 22 GLN HA 1 25 GLU QB 2.500 . 3.300 2.842 2.271 3.283 . 0 0 "[ . 1 . 2]" 1
1355 1 28 ARG HA 1 28 ARG HB3 2.600 . 3.500 2.947 2.547 3.025 . 0 0 "[ . 1 . 2]" 1
1356 1 28 ARG HA 1 32 VAL HB 3.000 . 4.100 2.985 2.382 3.473 . 0 0 "[ . 1 . 2]" 1
1357 1 44 LEU HA 1 44 LEU HB2 2.400 . 3.100 2.955 2.861 3.012 . 0 0 "[ . 1 . 2]" 1
1358 1 39 THR HA 1 42 THR HG1 2.700 . 6.000 4.549 3.700 5.450 . 0 0 "[ . 1 . 2]" 1
1359 1 40 PHE HA 1 43 SER HB2 2.600 . 3.500 3.053 2.428 4.247 0.747 2 1 "[ + . 1 . 2]" 1
1360 1 50 ALA HA 1 53 GLN HB2 2.500 . 3.300 2.823 2.137 3.286 . 0 0 "[ . 1 . 2]" 1
1361 1 23 THR HG1 1 54 ALA HA 2.300 . 6.000 5.458 4.952 5.978 . 0 0 "[ . 1 . 2]" 1
1362 1 27 ALA HA 1 55 VAL HA 2.800 . 3.800 3.798 3.554 3.938 0.138 8 0 "[ . 1 . 2]" 1
1363 1 57 ARG HA 1 57 ARG HD3 2.700 . 3.600 3.068 1.686 3.628 0.114 1 0 "[ . 1 . 2]" 1
1364 1 24 ILE QG 1 58 VAL HA 3.000 . 6.000 6.021 5.835 6.102 0.102 19 0 "[ . 1 . 2]" 1
1365 1 100 LYS HA 1 100 LYS HD3 2.300 . 6.000 3.749 1.688 5.016 . 0 0 "[ . 1 . 2]" 1
1366 1 65 LYS HA 1 65 LYS HD3 2.300 . 6.000 4.244 2.762 4.854 . 0 0 "[ . 1 . 2]" 1
1367 1 65 LYS HA 1 65 LYS HG3 2.400 . 3.100 2.746 2.082 3.274 0.174 8 0 "[ . 1 . 2]" 1
1368 1 99 THR HA 1 99 THR HG1 2.100 . 6.000 3.287 2.303 3.985 . 0 0 "[ . 1 . 2]" 1
1369 1 77 VAL HA 2 73 ARG HB2 3.200 . 4.500 4.082 2.740 5.298 0.798 7 1 "[ . + 1 . 2]" 1
1370 1 86 VAL HA 1 87 ARG HA 3.200 . 6.000 4.812 4.689 4.905 . 0 0 "[ . 1 . 2]" 1
1371 1 7 GLU HA 1 10 PHE HB3 3.200 . 4.500 2.353 1.820 2.809 0.080 11 0 "[ . 1 . 2]" 1
1372 1 88 LYS HA 1 92 ASP HB2 2.700 . 6.000 5.233 4.398 6.011 0.011 11 0 "[ . 1 . 2]" 1
1373 1 88 LYS HA 1 88 LYS HB3 2.400 . 3.100 2.654 2.372 3.011 . 0 0 "[ . 1 . 2]" 1
1374 1 22 GLN HA 1 24 ILE QG 2.300 . 6.000 6.008 5.839 6.059 0.059 11 0 "[ . 1 . 2]" 1
1375 1 89 TRP HA 1 92 ASP HB3 3.000 . 4.100 2.798 2.214 3.739 . 0 0 "[ . 1 . 2]" 1
1376 1 91 ALA HA 1 94 LYS HB2 2.400 . 6.000 3.079 2.436 3.890 . 0 0 "[ . 1 . 2]" 1
1377 1 95 LYS HA 1 95 LYS HB2 2.300 . 3.000 2.624 2.387 2.890 . 0 0 "[ . 1 . 2]" 1
1378 1 95 LYS HA 1 95 LYS HG2 2.300 . 2.900 2.662 2.060 3.187 0.287 9 0 "[ . 1 . 2]" 1
1379 1 2 LYS HA 1 2 LYS HG2 2.300 . 3.000 2.521 2.080 3.595 0.595 18 1 "[ . 1 . + 2]" 1
1380 1 68 PRO HA 1 68 PRO HB3 2.500 . 3.300 2.263 2.252 2.280 . 0 0 "[ . 1 . 2]" 1
1381 1 40 PHE HA 1 40 PHE QB 2.500 . 3.300 2.488 2.404 2.533 . 0 0 "[ . 1 . 2]" 1
1382 1 43 SER HA 1 43 SER QB 2.000 . 2.500 2.364 2.260 2.418 . 0 0 "[ . 1 . 2]" 1
1383 1 48 ARG HA 1 52 SER HB2 2.100 . 6.000 5.764 4.654 6.880 0.880 3 4 "[ + . * 1- . * 2]" 1
1384 1 14 ILE HB 1 17 LEU HB3 3.000 . 6.000 4.906 3.973 5.715 . 0 0 "[ . 1 . 2]" 1
1385 1 3 LYS HB3 1 3 LYS HD3 2.500 . 3.300 2.805 2.056 3.740 0.440 16 0 "[ . 1 . 2]" 1
1386 1 3 LYS HB2 1 3 LYS HD3 2.600 . 3.400 3.329 2.373 4.024 0.624 1 2 "[+ . - 1 . 2]" 1
1387 1 46 LEU HB3 1 46 LEU HG 2.600 . 3.400 2.662 2.243 3.021 . 0 0 "[ . 1 . 2]" 1
1388 1 46 LEU HB2 1 46 LEU HG 2.700 . 3.600 2.764 2.472 3.026 . 0 0 "[ . 1 . 2]" 1
1389 1 26 ILE HG12 1 46 LEU HB3 2.800 . 6.000 5.332 4.280 6.869 0.869 1 2 "[+ .- 1 . 2]" 1
1390 1 53 GLN HA 1 53 GLN HB2 2.300 . 3.000 2.612 2.399 2.994 . 0 0 "[ . 1 . 2]" 1
1391 1 53 GLN HA 1 53 GLN QB 2.300 . 3.000 2.431 2.311 2.539 . 0 0 "[ . 1 . 2]" 1
1392 1 14 ILE HB 1 15 GLN HB2 1.900 . 6.000 5.879 5.386 6.112 0.112 11 0 "[ . 1 . 2]" 1
1393 1 95 LYS HD2 1 100 LYS QE 1.900 . 6.000 4.230 3.007 6.874 0.874 18 1 "[ . 1 . + 2]" 1
1394 1 14 ILE HA 1 17 LEU HB2 2.800 . 3.800 2.467 1.784 3.226 0.016 1 0 "[ . 1 . 2]" 1
1395 1 14 ILE HB 1 17 LEU HB2 3.000 . 4.100 4.016 3.390 4.168 0.068 5 0 "[ . 1 . 2]" 1
1396 1 74 VAL HB 2 86 VAL HB 2.600 . 6.000 4.068 2.962 5.033 . 0 0 "[ . 1 . 2]" 1
1397 1 74 VAL HB 2 80 GLU HA 3.000 . 6.000 6.009 5.705 6.120 0.120 8 0 "[ . 1 . 2]" 1
1398 2 7 GLU HA 2 11 GLN HB2 2.500 . 6.000 5.305 4.549 6.397 0.397 5 0 "[ . 1 . 2]" 1
1399 2 89 TRP HB3 2 90 GLU HA 2.500 . 6.000 4.394 4.079 4.786 . 0 0 "[ . 1 . 2]" 1
1400 2 74 VAL HA 2 74 VAL HB 2.500 . 3.300 2.489 2.449 2.554 . 0 0 "[ . 1 . 2]" 1
1401 2 4 ARG HA 2 31 LEU HA 3.000 . 4.100 3.455 2.753 4.089 . 0 0 "[ . 1 . 2]" 1
1402 2 17 LEU HA 2 17 LEU HG 2.100 . 6.000 3.624 3.532 3.707 . 0 0 "[ . 1 . 2]" 1
1403 2 17 LEU HA 2 17 LEU HB3 2.200 . 2.800 2.694 2.562 2.825 0.025 14 0 "[ . 1 . 2]" 1
1404 2 35 LYS HA 2 36 PRO HA 2.500 . 6.000 4.470 4.402 4.643 . 0 0 "[ . 1 . 2]" 1
1405 2 18 GLU HA 2 18 GLU HB3 2.300 . 2.900 2.394 2.238 2.594 . 0 0 "[ . 1 . 2]" 1
1406 2 83 ALA HA 2 86 VAL HB 2.800 . 3.800 1.967 1.716 2.366 0.084 1 0 "[ . 1 . 2]" 1
1407 2 3 LYS HA 2 3 LYS HB3 2.500 . 3.300 2.708 2.397 3.033 . 0 0 "[ . 1 . 2]" 1
1408 2 3 LYS HA 2 3 LYS HD3 2.500 . 6.000 4.073 2.191 4.775 . 0 0 "[ . 1 . 2]" 1
1409 2 3 LYS HA 2 3 LYS HG2 2.500 . 3.300 2.609 2.101 3.230 . 0 0 "[ . 1 . 2]" 1
1410 2 4 ARG QG 2 33 ASP HB3 2.800 . 6.000 5.595 4.959 5.908 . 0 0 "[ . 1 . 2]" 1
1411 2 29 GLY HA3 2 33 ASP HB2 3.000 . 4.100 3.986 3.468 4.790 0.690 11 1 "[ . 1+ . 2]" 1
1412 2 29 GLY HA2 2 33 ASP HB2 2.800 . 3.800 2.411 1.925 3.215 . 0 0 "[ . 1 . 2]" 1
1413 2 29 GLY HA2 2 33 ASP HB3 2.800 . 6.000 2.820 2.322 3.198 . 0 0 "[ . 1 . 2]" 1
1414 2 29 GLY HA3 2 33 ASP HB3 3.000 . 4.100 3.918 3.477 4.171 0.071 3 0 "[ . 1 . 2]" 1
1415 2 12 GLU HA 2 12 GLU HB3 2.200 . 2.800 2.707 2.509 2.924 0.124 20 0 "[ . 1 . 2]" 1
1416 2 12 GLU HA 2 15 GLN HB2 2.200 . 6.000 3.084 2.256 4.672 . 0 0 "[ . 1 . 2]" 1
1417 2 19 VAL HB 2 23 THR HG1 2.500 . 6.000 3.195 2.279 5.213 . 0 0 "[ . 1 . 2]" 1
1418 2 11 GLN HA 2 14 ILE HG12 2.600 . 3.500 2.301 2.071 2.472 . 0 0 "[ . 1 . 2]" 1
1419 2 11 GLN HA 2 14 ILE HG13 2.700 . 3.600 2.758 2.171 3.360 . 0 0 "[ . 1 . 2]" 1
1420 2 90 GLU HA 2 90 GLU HB3 2.400 . 3.100 2.928 2.478 3.031 . 0 0 "[ . 1 . 2]" 1
1421 2 90 GLU HA 2 92 ASP HB2 2.800 . 6.000 5.957 5.445 6.436 0.436 9 0 "[ . 1 . 2]" 1
1422 2 86 VAL HA 2 90 GLU HA 2.800 . 6.000 6.045 5.834 6.140 0.140 17 0 "[ . 1 . 2]" 1
1423 1 77 VAL HA 2 73 ARG HA 3.100 . 4.300 2.095 1.816 2.502 0.084 15 0 "[ . 1 . 2]" 1
1424 2 68 PRO HB3 2 68 PRO HD3 2.800 . 6.000 3.987 3.635 4.057 . 0 0 "[ . 1 . 2]" 1
1425 2 68 PRO HB2 2 68 PRO HD3 2.700 . 6.000 3.957 3.877 4.104 . 0 0 "[ . 1 . 2]" 1
1426 2 46 LEU HA 2 46 LEU HB3 2.600 . 3.400 2.516 2.306 2.712 . 0 0 "[ . 1 . 2]" 1
1427 2 92 ASP HA 2 92 ASP HB3 2.500 . 3.300 2.972 2.800 3.031 . 0 0 "[ . 1 . 2]" 1
1428 2 92 ASP HA 2 92 ASP HB2 2.500 . 3.300 2.626 2.429 2.888 . 0 0 "[ . 1 . 2]" 1
1429 2 92 ASP HA 2 95 LYS HB3 2.500 . 6.000 2.901 2.084 4.198 . 0 0 "[ . 1 . 2]" 1
1430 2 92 ASP HA 2 95 LYS HB2 2.700 . 3.600 2.796 2.037 3.828 0.228 14 0 "[ . 1 . 2]" 1
1431 2 14 ILE HA 2 14 ILE HB 2.400 . 3.100 2.474 2.424 2.498 . 0 0 "[ . 1 . 2]" 1
1432 2 14 ILE HA 2 17 LEU HB3 2.400 . 6.000 3.837 3.141 4.636 . 0 0 "[ . 1 . 2]" 1
1433 2 37 GLN HG2 2 55 VAL HB 2.300 . 6.000 4.089 3.574 4.815 . 0 0 "[ . 1 . 2]" 1
1434 2 41 ALA HA 2 46 LEU HB3 2.700 . 6.000 3.746 3.160 4.280 . 0 0 "[ . 1 . 2]" 1
1435 2 5 LEU HA 2 6 THR HG1 2.800 . 6.000 4.840 3.790 5.599 . 0 0 "[ . 1 . 2]" 1
1436 2 53 GLN HA 2 56 HIS HB2 2.400 . 3.100 2.953 2.378 3.963 0.863 16 2 "[ . 1 -+ 2]" 1
1437 2 19 VAL HA 2 20 GLY HA2 3.000 . 6.000 4.313 4.248 4.387 . 0 0 "[ . 1 . 2]" 1
1438 2 21 GLN HA 2 25 GLU QB 2.300 . 6.000 4.933 4.491 5.715 . 0 0 "[ . 1 . 2]" 1
1439 2 53 GLN HA 2 53 GLN HG2 2.400 . 3.100 2.951 2.101 3.657 0.557 14 3 "[ . - *+. 2]" 1
1440 2 22 GLN HA 2 25 GLU HG2 2.800 . 6.000 4.212 2.444 5.835 . 0 0 "[ . 1 . 2]" 1
1441 2 22 GLN HA 2 22 GLN HB3 2.300 . 3.000 2.709 2.386 3.026 0.026 2 0 "[ . 1 . 2]" 1
1442 2 22 GLN HA 2 25 GLU QB 2.500 . 3.300 2.720 1.692 3.300 0.008 13 0 "[ . 1 . 2]" 1
1443 2 28 ARG HA 2 28 ARG HB3 2.600 . 3.500 2.952 2.597 3.027 . 0 0 "[ . 1 . 2]" 1
1444 2 28 ARG HA 2 32 VAL HB 3.000 . 4.100 2.974 2.394 3.652 . 0 0 "[ . 1 . 2]" 1
1445 2 44 LEU HA 2 44 LEU HB2 2.400 . 3.100 2.956 2.822 3.017 . 0 0 "[ . 1 . 2]" 1
1446 2 39 THR HA 2 42 THR HG1 2.700 . 6.000 4.481 3.334 5.981 . 0 0 "[ . 1 . 2]" 1
1447 2 40 PHE HA 2 43 SER QB 2.600 . 3.500 2.712 2.116 3.358 . 0 0 "[ . 1 . 2]" 1
1448 2 50 ALA HA 2 53 GLN HB2 2.500 . 3.300 2.839 2.336 3.314 0.014 12 0 "[ . 1 . 2]" 1
1449 2 23 THR HG1 2 54 ALA HA 2.300 . 6.000 5.489 4.721 6.009 0.009 6 0 "[ . 1 . 2]" 1
1450 2 27 ALA HA 2 55 VAL HA 2.800 . 3.800 3.793 3.428 3.922 0.122 4 0 "[ . 1 . 2]" 1
1451 2 57 ARG HA 2 57 ARG HD3 2.700 . 3.600 2.821 1.779 3.638 0.038 5 0 "[ . 1 . 2]" 1
1452 2 24 ILE QG 2 58 VAL HA 3.000 . 6.000 5.993 5.692 6.153 0.153 4 0 "[ . 1 . 2]" 1
1453 2 100 LYS HA 2 100 LYS HD3 2.300 . 6.000 3.945 1.576 5.528 . 0 0 "[ . 1 . 2]" 1
1454 2 65 LYS HA 2 65 LYS HD3 2.300 . 6.000 4.364 3.085 4.783 . 0 0 "[ . 1 . 2]" 1
1455 2 65 LYS HA 2 65 LYS HG2 2.400 . 3.100 2.815 2.259 3.640 0.540 16 1 "[ . 1 .+ 2]" 1
1456 2 99 THR HA 2 99 THR HG1 2.100 . 6.000 3.137 2.499 4.039 . 0 0 "[ . 1 . 2]" 1
1457 1 73 ARG HB2 2 77 VAL HA 3.200 . 4.500 4.181 2.812 5.258 0.758 15 1 "[ . 1 + 2]" 1
1458 2 86 VAL HA 2 87 ARG HA 3.200 . 6.000 4.813 4.734 4.927 . 0 0 "[ . 1 . 2]" 1
1459 2 7 GLU HA 2 10 PHE HB3 3.200 . 4.500 2.174 1.721 2.820 0.179 1 0 "[ . 1 . 2]" 1
1460 2 88 LYS HA 2 92 ASP HB2 2.700 . 6.000 5.234 4.660 6.019 0.019 12 0 "[ . 1 . 2]" 1
1461 2 88 LYS HA 2 88 LYS HB3 2.400 . 3.100 2.807 2.437 3.029 . 0 0 "[ . 1 . 2]" 1
1462 2 22 GLN HA 2 24 ILE QG 2.300 . 6.000 5.978 5.681 6.092 0.092 4 0 "[ . 1 . 2]" 1
1463 2 89 TRP HA 2 92 ASP HB3 3.000 . 4.100 2.688 1.768 4.102 0.132 15 0 "[ . 1 . 2]" 1
1464 2 91 ALA HA 2 94 LYS HB2 2.400 . 6.000 3.029 2.334 3.816 . 0 0 "[ . 1 . 2]" 1
1465 2 95 LYS HA 2 95 LYS HB2 2.300 . 3.000 2.633 2.382 2.970 . 0 0 "[ . 1 . 2]" 1
1466 2 95 LYS HA 2 95 LYS HG2 2.300 . 2.900 2.773 2.046 3.317 0.417 19 0 "[ . 1 . 2]" 1
1467 2 2 LYS HA 2 2 LYS HG3 2.300 . 3.000 2.823 2.164 3.387 0.387 20 0 "[ . 1 . 2]" 1
1468 2 68 PRO HA 2 68 PRO HB3 2.500 . 3.300 2.269 2.253 2.292 . 0 0 "[ . 1 . 2]" 1
1469 2 57 ARG QB 2 57 ARG HG2 3.100 . 4.300 2.188 2.149 2.361 . 0 0 "[ . 1 . 2]" 1
1470 2 40 PHE HA 2 40 PHE QB 2.500 . 3.300 2.487 2.383 2.536 . 0 0 "[ . 1 . 2]" 1
1471 2 43 SER HA 2 43 SER QB 2.000 . 2.500 2.369 2.167 2.450 . 0 0 "[ . 1 . 2]" 1
1472 2 48 ARG HA 2 52 SER HB2 2.100 . 6.000 5.642 4.933 6.529 0.529 12 1 "[ . 1 + . 2]" 1
1473 2 14 ILE HB 2 17 LEU HB3 3.000 . 6.000 4.876 3.526 5.676 . 0 0 "[ . 1 . 2]" 1
1474 2 3 LYS HB3 2 3 LYS HD3 2.500 . 3.300 2.720 1.978 3.690 0.390 11 0 "[ . 1 . 2]" 1
1475 2 3 LYS HB2 2 3 LYS HD3 2.600 . 3.400 3.329 2.467 3.998 0.598 4 1 "[ +. 1 . 2]" 1
1476 2 46 LEU HB3 2 46 LEU HG 2.600 . 3.400 2.661 2.215 3.019 . 0 0 "[ . 1 . 2]" 1
1477 2 46 LEU HB2 2 46 LEU HG 2.700 . 3.600 2.745 2.462 3.024 . 0 0 "[ . 1 . 2]" 1
1478 2 26 ILE HG12 2 46 LEU HB3 2.800 . 6.000 5.128 4.173 6.399 0.399 1 0 "[ . 1 . 2]" 1
1479 2 53 GLN HA 2 53 GLN HB2 2.300 . 3.000 2.623 2.375 2.839 . 0 0 "[ . 1 . 2]" 1
1480 2 53 GLN HA 2 53 GLN QB 2.300 . 3.000 2.448 2.291 2.540 . 0 0 "[ . 1 . 2]" 1
1481 2 14 ILE HB 2 15 GLN HB2 1.900 . 6.000 5.930 5.486 6.162 0.162 15 0 "[ . 1 . 2]" 1
1482 2 95 LYS HD2 2 100 LYS QE 1.900 . 6.000 4.118 2.993 5.519 . 0 0 "[ . 1 . 2]" 1
1483 2 14 ILE HA 2 17 LEU HB2 2.800 . 3.800 2.481 1.777 3.080 0.023 10 0 "[ . 1 . 2]" 1
1484 2 14 ILE HB 2 17 LEU HB2 3.000 . 4.100 3.943 3.123 4.179 0.079 20 0 "[ . 1 . 2]" 1
1485 1 86 VAL HB 2 74 VAL HB 2.600 . 6.000 4.019 2.980 5.440 . 0 0 "[ . 1 . 2]" 1
1486 1 56 HIS HA 1 56 HIS HB2 2.300 . 2.900 2.841 2.553 2.993 0.093 11 0 "[ . 1 . 2]" 1
1487 1 47 THR HA 1 47 THR HG1 2.200 . 6.000 3.696 2.621 4.078 . 0 0 "[ . 1 . 2]" 1
1488 1 6 THR HA 1 6 THR HG1 2.200 . 6.000 3.924 3.556 4.087 . 0 0 "[ . 1 . 2]" 1
1489 1 40 PHE HA 1 40 PHE HB2 2.300 . 2.900 2.735 2.531 3.023 0.123 2 0 "[ . 1 . 2]" 1
1490 1 79 PRO HA 1 79 PRO HB3 2.500 . 3.300 2.293 2.271 2.322 . 0 0 "[ . 1 . 2]" 1
1491 1 75 THR HA 1 75 THR HG1 2.400 . 6.000 2.951 2.364 3.899 . 0 0 "[ . 1 . 2]" 1
1492 1 42 THR HA 1 42 THR HG1 2.100 . 2.700 2.605 2.275 2.770 0.070 19 0 "[ . 1 . 2]" 1
1493 1 23 THR HA 1 23 THR HG1 2.400 . 6.000 3.553 2.949 3.940 . 0 0 "[ . 1 . 2]" 1
1494 1 23 THR HA 1 23 THR HB 2.800 . 3.800 2.889 2.659 3.029 . 0 0 "[ . 1 . 2]" 1
1495 1 23 THR HA 1 24 ILE HB 2.600 . 6.000 5.814 5.704 5.966 . 0 0 "[ . 1 . 2]" 1
1496 1 68 PRO HA 1 68 PRO HD3 2.600 . 6.000 3.949 3.743 4.022 . 0 0 "[ . 1 . 2]" 1
1497 1 68 PRO HA 1 68 PRO HD2 2.600 . 6.000 3.895 3.875 3.942 . 0 0 "[ . 1 . 2]" 1
1498 1 66 ASN HA 1 66 ASN QB 2.400 . 3.100 2.398 2.168 2.538 . 0 0 "[ . 1 . 2]" 1
1499 1 4 ARG HA 1 4 ARG QG 2.700 . 3.600 2.550 2.086 3.391 . 0 0 "[ . 1 . 2]" 1
1500 1 4 ARG HA 1 4 ARG HD3 2.700 . 6.000 4.279 2.086 4.703 . 0 0 "[ . 1 . 2]" 1
1501 1 4 ARG HA 1 4 ARG HD2 2.900 . 6.000 4.431 3.170 5.001 . 0 0 "[ . 1 . 2]" 1
1502 1 17 LEU HA 1 18 GLU HB3 2.500 . 6.000 5.394 4.701 5.732 . 0 0 "[ . 1 . 2]" 1
1503 1 33 ASP HA 1 33 ASP HB2 2.500 . 3.300 2.610 2.443 2.784 . 0 0 "[ . 1 . 2]" 1
1504 1 33 ASP HA 1 33 ASP HB3 2.400 . 3.100 2.986 2.908 3.031 . 0 0 "[ . 1 . 2]" 1
1505 1 6 THR HA 1 6 THR HB 2.600 . 3.400 2.722 2.461 2.951 . 0 0 "[ . 1 . 2]" 1
1506 1 47 THR HA 1 47 THR HB 2.400 . 3.100 2.687 2.458 3.017 . 0 0 "[ . 1 . 2]" 1
1507 1 47 THR HB 1 47 THR HG1 2.200 . 2.800 2.560 2.126 2.852 0.052 18 0 "[ . 1 . 2]" 1
1508 1 6 THR HB 1 6 THR HG1 2.200 . 2.800 2.243 2.112 2.728 . 0 0 "[ . 1 . 2]" 1
1509 1 75 THR HA 1 75 THR HB 2.400 . 3.100 2.960 2.508 3.031 . 0 0 "[ . 1 . 2]" 1
1510 1 19 VAL HA 1 19 VAL HB 2.300 . 3.000 2.619 2.512 2.923 . 0 0 "[ . 1 . 2]" 1
1511 1 39 THR HB 1 39 THR HG1 2.100 . 2.600 2.236 2.101 2.687 0.087 7 0 "[ . 1 . 2]" 1
1512 1 23 THR HB 1 23 THR HG1 2.200 . 2.800 2.308 2.108 2.854 0.054 3 0 "[ . 1 . 2]" 1
1513 1 11 GLN HA 1 11 GLN HB3 2.500 . 3.300 2.749 2.502 3.009 . 0 0 "[ . 1 . 2]" 1
1514 1 11 GLN HA 1 11 GLN HG2 2.700 . 3.600 2.810 1.989 4.181 0.581 18 2 "[ - 1 . + 2]" 1
1515 1 48 ARG HA 1 48 ARG HD3 2.800 . 6.000 4.352 2.255 5.538 . 0 0 "[ . 1 . 2]" 1
1516 1 48 ARG HA 1 48 ARG QB 2.200 . 2.800 2.419 2.164 2.532 . 0 0 "[ . 1 . 2]" 1
1517 1 48 ARG HA 1 48 ARG HG2 2.800 . 3.800 2.795 2.125 3.769 . 0 0 "[ . 1 . 2]" 1
1518 1 61 ALA HA 1 62 PHE HB2 2.500 . 6.000 5.844 5.646 5.959 . 0 0 "[ . 1 . 2]" 1
1519 1 68 PRO HB3 1 68 PRO HD2 2.700 . 6.000 3.897 3.862 3.940 . 0 0 "[ . 1 . 2]" 1
1520 1 68 PRO HB2 1 68 PRO HD2 2.700 . 3.600 3.133 2.951 3.397 . 0 0 "[ . 1 . 2]" 1
1521 1 68 PRO HD2 1 68 PRO HG3 2.900 . 3.900 2.988 2.961 3.001 . 0 0 "[ . 1 . 2]" 1
1522 1 68 PRO HD2 1 68 PRO HG2 2.700 . 3.600 2.311 2.278 2.328 . 0 0 "[ . 1 . 2]" 1
1523 1 68 PRO HD3 1 68 PRO HG2 2.800 . 3.800 2.696 2.665 2.749 . 0 0 "[ . 1 . 2]" 1
1524 1 46 LEU HA 1 46 LEU HG 2.600 . 3.400 2.978 2.594 3.266 . 0 0 "[ . 1 . 2]" 1
1525 1 70 GLY HA2 1 71 TYR HA 2.800 . 6.000 4.543 4.345 4.675 . 0 0 "[ . 1 . 2]" 1
1526 1 10 PHE HA 1 10 PHE HB2 2.900 . 4.000 2.473 2.366 2.565 . 0 0 "[ . 1 . 2]" 1
1527 1 10 PHE HA 1 10 PHE HB3 2.700 . 3.600 3.025 3.014 3.034 . 0 0 "[ . 1 . 2]" 1
1528 1 14 ILE HA 1 14 ILE HG12 2.800 . 3.800 3.811 3.710 3.918 0.118 8 0 "[ . 1 . 2]" 1
1529 1 14 ILE HA 1 14 ILE HG13 2.900 . 3.900 3.634 3.531 3.737 . 0 0 "[ . 1 . 2]" 1
1530 1 32 VAL HA 1 32 VAL HB 2.800 . 3.800 3.021 3.005 3.030 . 0 0 "[ . 1 . 2]" 1
1531 1 24 ILE HA 1 24 ILE HB 2.800 . 3.800 3.024 3.010 3.031 . 0 0 "[ . 1 . 2]" 1
1532 1 24 ILE HA 1 24 ILE QG 2.500 . 3.300 2.397 2.311 2.480 . 0 0 "[ . 1 . 2]" 1
1533 1 23 THR HG1 1 24 ILE HA 2.900 . 6.000 5.530 4.203 6.138 0.138 16 0 "[ . 1 . 2]" 1
1534 1 37 GLN HA 1 37 GLN HG2 2.800 . 3.800 3.402 2.555 3.726 . 0 0 "[ . 1 . 2]" 1
1535 1 85 ILE HA 1 86 VAL HB 2.800 . 6.000 5.759 5.666 5.852 . 0 0 "[ . 1 . 2]" 1
1536 1 7 GLU HA 1 7 GLU HG2 2.700 . 3.600 2.837 2.168 3.622 0.022 4 0 "[ . 1 . 2]" 1
1537 1 15 GLN HA 1 15 GLN HG2 2.300 . 3.000 2.867 1.995 3.559 0.559 5 3 "[- + 1 . * 2]" 1
1538 1 14 ILE HG13 1 15 GLN HA 3.000 . 4.100 3.453 3.065 3.805 . 0 0 "[ . 1 . 2]" 1
1539 1 22 GLN HA 1 23 THR HA 3.000 . 6.000 4.782 4.717 4.860 . 0 0 "[ . 1 . 2]" 1
1540 1 51 VAL HA 1 51 VAL HB 2.800 . 3.800 3.019 3.008 3.027 . 0 0 "[ . 1 . 2]" 1
1541 1 26 ILE HA 1 26 ILE HB 2.800 . 3.800 3.026 3.020 3.031 . 0 0 "[ . 1 . 2]" 1
1542 1 36 PRO HA 1 37 GLN HB2 2.700 . 6.000 4.555 4.114 5.050 . 0 0 "[ . 1 . 2]" 1
1543 1 57 ARG HA 1 57 ARG HB3 2.400 . 3.100 2.926 2.617 3.021 . 0 0 "[ . 1 . 2]" 1
1544 1 57 ARG HA 1 58 VAL HB 2.500 . 6.000 5.924 5.854 6.009 0.009 18 0 "[ . 1 . 2]" 1
1545 1 57 ARG HA 1 57 ARG HG2 2.500 . 6.000 3.589 2.734 3.810 . 0 0 "[ . 1 . 2]" 1
1546 1 57 ARG HB2 1 58 VAL HA 2.800 . 6.000 5.274 4.607 5.527 . 0 0 "[ . 1 . 2]" 1
1547 1 62 PHE HA 1 62 PHE HB3 2.700 . 3.600 3.023 2.989 3.029 . 0 0 "[ . 1 . 2]" 1
1548 1 62 PHE HA 1 62 PHE HB2 2.700 . 3.600 2.458 2.380 2.639 . 0 0 "[ . 1 . 2]" 1
1549 1 63 GLU HA 1 63 GLU HB2 2.300 . 3.000 2.812 2.432 3.021 0.021 4 0 "[ . 1 . 2]" 1
1550 1 63 GLU HA 1 63 GLU HB3 2.500 . 3.300 2.759 2.460 3.025 . 0 0 "[ . 1 . 2]" 1
1551 1 64 ASP HA 1 64 ASP HB2 2.300 . 2.900 2.581 2.334 3.014 0.114 11 0 "[ . 1 . 2]" 1
1552 1 69 GLU HA 1 69 GLU HG3 2.400 . 3.100 2.833 2.183 3.643 0.543 15 1 "[ . 1 + 2]" 1
1553 1 69 GLU HA 1 69 GLU HB2 2.200 . 2.800 2.637 2.462 2.913 0.113 20 0 "[ . 1 . 2]" 1
1554 1 71 TYR HA 1 71 TYR HB2 3.000 . 4.100 2.868 2.409 3.030 . 0 0 "[ . 1 . 2]" 1
1555 1 77 VAL HA 1 78 LEU HA 2.800 . 6.000 4.414 4.375 4.468 . 0 0 "[ . 1 . 2]" 1
1556 1 77 VAL HA 1 77 VAL HB 2.900 . 4.000 2.915 2.410 3.034 . 0 0 "[ . 1 . 2]" 1
1557 1 84 TYR HA 1 85 ILE HA 3.000 . 6.000 4.667 4.632 4.726 . 0 0 "[ . 1 . 2]" 1
1558 1 84 TYR HA 1 84 TYR HB2 2.500 . 3.300 2.403 2.271 2.477 . 0 0 "[ . 1 . 2]" 1
1559 1 84 TYR HA 1 84 TYR HB3 2.500 . 3.300 3.021 2.952 3.031 . 0 0 "[ . 1 . 2]" 1
1560 1 86 VAL HA 1 86 VAL HB 3.000 . 4.100 3.031 3.021 3.040 . 0 0 "[ . 1 . 2]" 1
1561 1 95 LYS QE 1 96 LYS HA 2.700 . 6.000 4.638 3.448 5.826 . 0 0 "[ . 1 . 2]" 1
1562 1 96 LYS HB2 1 97 GLN HA 2.400 . 6.000 5.187 4.413 5.743 . 0 0 "[ . 1 . 2]" 1
1563 1 97 GLN HA 1 97 GLN HG2 2.300 . 3.000 2.895 2.565 3.492 0.492 10 0 "[ . 1 . 2]" 1
1564 1 97 GLN HA 1 97 GLN HB3 2.100 . 2.600 2.527 2.272 2.922 0.322 6 0 "[ . 1 . 2]" 1
1565 1 98 GLU HA 1 98 GLU HG2 2.400 . 3.100 2.667 1.970 3.167 0.067 15 0 "[ . 1 . 2]" 1
1566 1 98 GLU HA 1 98 GLU HG3 2.200 . 2.800 2.696 1.992 3.281 0.481 4 0 "[ . 1 . 2]" 1
1567 1 28 ARG HA 1 28 ARG HG2 2.800 . 3.800 2.775 2.007 3.524 . 0 0 "[ . 1 . 2]" 1
1568 1 28 ARG HD3 1 28 ARG HG2 2.900 . 3.900 2.550 2.241 3.015 . 0 0 "[ . 1 . 2]" 1
1569 1 28 ARG HB3 1 28 ARG HG2 2.900 . 4.000 2.534 2.205 3.010 . 0 0 "[ . 1 . 2]" 1
1570 1 4 ARG HD2 1 4 ARG QG 2.500 . 3.200 2.279 2.129 2.526 . 0 0 "[ . 1 . 2]" 1
1571 1 2 LYS HE2 1 2 LYS HG3 2.800 . 3.700 3.155 2.419 4.229 0.529 16 1 "[ . 1 .+ 2]" 1
1572 1 39 THR HA 1 39 THR HG1 1.900 . 6.000 3.568 2.450 3.968 . 0 0 "[ . 1 . 2]" 1
1573 1 3 LYS HB2 1 3 LYS HG2 2.600 . 3.400 2.874 2.377 3.015 . 0 0 "[ . 1 . 2]" 1
1574 1 3 LYS HD3 1 3 LYS HG2 2.300 . 3.000 2.429 2.218 2.777 . 0 0 "[ . 1 . 2]" 1
1575 1 57 ARG HB3 1 57 ARG HD2 2.600 . 6.000 3.698 2.384 4.197 . 0 0 "[ . 1 . 2]" 1
1576 1 57 ARG HB2 1 57 ARG HD2 2.600 . 3.500 3.076 2.685 3.809 0.309 1 0 "[ . 1 . 2]" 1
1577 1 57 ARG HA 1 57 ARG HD2 2.400 . 3.100 2.306 1.631 3.637 0.537 3 1 "[ + . 1 . 2]" 1
1578 1 57 ARG HD2 1 57 ARG HG2 2.800 . 3.800 2.949 2.607 3.015 . 0 0 "[ . 1 . 2]" 1
1579 1 68 PRO HB3 1 68 PRO HG2 2.800 . 3.800 2.756 2.677 2.848 . 0 0 "[ . 1 . 2]" 1
1580 1 68 PRO HD3 1 68 PRO HG3 3.000 . 4.100 2.310 2.284 2.328 . 0 0 "[ . 1 . 2]" 1
1581 1 14 ILE HB 1 14 ILE HG12 2.800 . 3.800 2.995 2.935 3.031 . 0 0 "[ . 1 . 2]" 1
1582 1 14 ILE HB 1 14 ILE HG13 2.700 . 3.600 2.584 2.464 2.720 . 0 0 "[ . 1 . 2]" 1
1583 1 99 THR HB 1 99 THR HG1 2.100 . 2.600 2.441 2.109 2.817 0.217 3 0 "[ . 1 . 2]" 1
1584 1 3 LYS HB3 1 3 LYS HG2 2.700 . 3.600 2.602 2.303 3.007 . 0 0 "[ . 1 . 2]" 1
1585 1 68 PRO HA 1 68 PRO HG2 3.100 . 4.300 4.068 3.980 4.102 . 0 0 "[ . 1 . 2]" 1
1586 1 81 HIS HA 1 81 HIS HB3 2.700 . 3.600 2.843 2.457 3.030 . 0 0 "[ . 1 . 2]" 1
1587 1 81 HIS HA 1 81 HIS HB2 2.700 . 3.600 2.759 2.409 3.032 . 0 0 "[ . 1 . 2]" 1
1588 1 17 LEU HA 1 17 LEU HB2 2.500 . 3.300 2.953 2.867 3.007 . 0 0 "[ . 1 . 2]" 1
1589 2 56 HIS HA 2 56 HIS HB2 2.300 . 2.900 2.799 2.442 3.009 0.109 13 0 "[ . 1 . 2]" 1
1590 2 47 THR HA 2 47 THR HG1 2.200 . 6.000 3.751 2.502 4.090 . 0 0 "[ . 1 . 2]" 1
1591 2 6 THR HA 2 6 THR HG1 2.200 . 6.000 3.929 3.426 4.093 . 0 0 "[ . 1 . 2]" 1
1592 2 40 PHE HA 2 40 PHE HB2 2.300 . 2.900 2.744 2.551 3.023 0.123 13 0 "[ . 1 . 2]" 1
1593 2 79 PRO HA 2 79 PRO HB3 2.500 . 3.300 2.289 2.270 2.306 . 0 0 "[ . 1 . 2]" 1
1594 2 75 THR HA 2 75 THR HG1 2.400 . 6.000 2.867 2.399 3.477 . 0 0 "[ . 1 . 2]" 1
1595 2 42 THR HA 2 42 THR HG1 2.100 . 2.700 2.602 2.327 2.762 0.062 12 0 "[ . 1 . 2]" 1
1596 2 23 THR HA 2 23 THR HG1 2.400 . 6.000 3.523 2.393 4.046 . 0 0 "[ . 1 . 2]" 1
1597 2 23 THR HA 2 23 THR HB 2.800 . 3.800 2.866 2.674 3.032 . 0 0 "[ . 1 . 2]" 1
1598 2 23 THR HA 2 24 ILE HB 2.600 . 6.000 5.829 5.681 5.941 . 0 0 "[ . 1 . 2]" 1
1599 2 68 PRO HA 2 68 PRO HD3 2.600 . 6.000 3.910 3.777 4.039 . 0 0 "[ . 1 . 2]" 1
1600 2 68 PRO HA 2 68 PRO HD2 2.600 . 6.000 3.907 3.876 3.952 . 0 0 "[ . 1 . 2]" 1
1601 2 66 ASN HA 2 66 ASN HB3 2.400 . 3.100 2.778 2.368 3.027 . 0 0 "[ . 1 . 2]" 1
1602 2 66 ASN HA 2 66 ASN HB2 2.400 . 3.100 2.719 2.266 3.021 . 0 0 "[ . 1 . 2]" 1
1603 2 4 ARG HA 2 4 ARG QG 2.700 . 3.600 2.585 2.230 3.440 . 0 0 "[ . 1 . 2]" 1
1604 2 4 ARG HA 2 4 ARG HD3 2.700 . 6.000 4.421 3.472 4.976 . 0 0 "[ . 1 . 2]" 1
1605 2 4 ARG HA 2 4 ARG HD2 2.900 . 6.000 4.516 2.835 5.318 . 0 0 "[ . 1 . 2]" 1
1606 2 17 LEU HA 2 18 GLU HB3 2.500 . 6.000 5.451 4.713 5.753 . 0 0 "[ . 1 . 2]" 1
1607 2 33 ASP HA 2 33 ASP HB2 2.500 . 3.300 2.570 2.420 2.732 . 0 0 "[ . 1 . 2]" 1
1608 2 33 ASP HA 2 33 ASP HB3 2.400 . 3.100 3.009 2.946 3.027 . 0 0 "[ . 1 . 2]" 1
1609 2 6 THR HA 2 6 THR HB 2.600 . 3.400 2.687 2.434 2.993 . 0 0 "[ . 1 . 2]" 1
1610 2 47 THR HA 2 47 THR HB 2.400 . 3.100 2.749 2.497 3.018 . 0 0 "[ . 1 . 2]" 1
1611 2 47 THR HB 2 47 THR HG1 2.200 . 2.800 2.443 2.118 2.854 0.054 3 0 "[ . 1 . 2]" 1
1612 2 6 THR HB 2 6 THR HG1 2.200 . 2.800 2.347 2.116 2.820 0.020 12 0 "[ . 1 . 2]" 1
1613 2 75 THR HA 2 75 THR HB 2.400 . 3.100 2.968 2.524 3.029 . 0 0 "[ . 1 . 2]" 1
1614 2 19 VAL HA 2 19 VAL HB 2.300 . 3.000 2.608 2.492 2.814 . 0 0 "[ . 1 . 2]" 1
1615 2 39 THR HB 2 39 THR HG1 2.100 . 2.600 2.230 2.103 2.663 0.063 12 0 "[ . 1 . 2]" 1
1616 2 23 THR HB 2 23 THR HG1 2.200 . 2.800 2.270 2.131 2.688 . 0 0 "[ . 1 . 2]" 1
1617 2 11 GLN HA 2 11 GLN HB3 2.500 . 3.300 2.762 2.466 3.014 . 0 0 "[ . 1 . 2]" 1
1618 2 11 GLN HA 2 11 GLN HG2 2.700 . 3.600 2.798 1.996 3.945 0.345 20 0 "[ . 1 . 2]" 1
1619 2 48 ARG HA 2 48 ARG HD3 2.800 . 6.000 4.422 3.771 5.529 . 0 0 "[ . 1 . 2]" 1
1620 2 48 ARG HA 2 48 ARG QB 2.200 . 2.800 2.425 2.177 2.529 . 0 0 "[ . 1 . 2]" 1
1621 2 48 ARG HA 2 48 ARG HG2 2.800 . 3.800 2.825 2.279 3.752 . 0 0 "[ . 1 . 2]" 1
1622 2 61 ALA HA 2 62 PHE HB2 2.500 . 6.000 5.849 5.666 6.028 0.028 20 0 "[ . 1 . 2]" 1
1623 2 68 PRO HB3 2 68 PRO HD2 2.700 . 6.000 3.891 3.867 3.959 . 0 0 "[ . 1 . 2]" 1
1624 2 68 PRO HB2 2 68 PRO HD2 2.700 . 3.600 3.087 2.930 3.627 0.027 16 0 "[ . 1 . 2]" 1
1625 2 68 PRO HD2 2 68 PRO HG3 2.900 . 3.900 2.987 2.911 3.002 . 0 0 "[ . 1 . 2]" 1
1626 2 68 PRO HD2 2 68 PRO HG2 2.700 . 3.600 2.314 2.254 2.331 . 0 0 "[ . 1 . 2]" 1
1627 2 68 PRO HD3 2 68 PRO HG2 2.800 . 3.800 2.693 2.669 2.816 . 0 0 "[ . 1 . 2]" 1
1628 2 46 LEU HA 2 46 LEU HG 2.600 . 3.400 3.023 2.603 3.422 0.022 4 0 "[ . 1 . 2]" 1
1629 2 70 GLY HA2 2 71 TYR HA 2.800 . 6.000 4.508 4.378 4.617 . 0 0 "[ . 1 . 2]" 1
1630 2 10 PHE HA 2 10 PHE HB2 2.900 . 4.000 2.449 2.358 2.600 . 0 0 "[ . 1 . 2]" 1
1631 2 10 PHE HA 2 10 PHE HB3 2.700 . 3.600 3.024 3.003 3.031 . 0 0 "[ . 1 . 2]" 1
1632 2 14 ILE HA 2 14 ILE HG12 2.800 . 3.800 3.816 3.708 3.917 0.117 7 0 "[ . 1 . 2]" 1
1633 2 14 ILE HA 2 14 ILE HG13 2.900 . 3.900 3.632 3.529 3.747 . 0 0 "[ . 1 . 2]" 1
1634 2 32 VAL HA 2 32 VAL HB 2.800 . 3.800 3.020 3.013 3.025 . 0 0 "[ . 1 . 2]" 1
1635 2 24 ILE HA 2 24 ILE HB 2.800 . 3.800 3.024 3.017 3.031 . 0 0 "[ . 1 . 2]" 1
1636 2 24 ILE HA 2 24 ILE QG 2.500 . 3.300 2.410 2.329 2.490 . 0 0 "[ . 1 . 2]" 1
1637 2 23 THR HG1 2 24 ILE HA 2.900 . 6.000 5.213 4.356 6.149 0.149 11 0 "[ . 1 . 2]" 1
1638 2 37 GLN HA 2 37 GLN HG2 2.800 . 3.800 3.373 2.575 3.679 . 0 0 "[ . 1 . 2]" 1
1639 2 85 ILE HA 2 86 VAL HB 2.800 . 6.000 5.735 5.531 5.930 . 0 0 "[ . 1 . 2]" 1
1640 2 7 GLU HA 2 7 GLU HG2 2.700 . 3.600 2.906 2.289 3.580 . 0 0 "[ . 1 . 2]" 1
1641 2 15 GLN HA 2 15 GLN HG2 2.300 . 3.000 2.828 2.080 3.603 0.603 5 2 "[ + 1 . - 2]" 1
1642 2 14 ILE HG13 2 15 GLN HA 3.000 . 4.100 3.501 2.955 3.796 . 0 0 "[ . 1 . 2]" 1
1643 2 22 GLN HA 2 23 THR HA 3.000 . 6.000 4.784 4.663 4.863 . 0 0 "[ . 1 . 2]" 1
1644 2 51 VAL HA 2 51 VAL HB 2.800 . 3.800 3.021 3.012 3.031 . 0 0 "[ . 1 . 2]" 1
1645 2 26 ILE HA 2 26 ILE HB 2.800 . 3.800 3.026 3.021 3.031 . 0 0 "[ . 1 . 2]" 1
1646 2 36 PRO HA 2 37 GLN HB2 2.700 . 6.000 4.539 4.219 4.907 . 0 0 "[ . 1 . 2]" 1
1647 2 57 ARG HA 2 57 ARG QB 2.400 . 3.100 2.463 2.359 2.537 . 0 0 "[ . 1 . 2]" 1
1648 2 57 ARG HA 2 58 VAL HB 2.500 . 6.000 5.896 5.764 5.950 . 0 0 "[ . 1 . 2]" 1
1649 2 57 ARG HA 2 57 ARG HG2 2.500 . 6.000 3.491 2.538 3.786 . 0 0 "[ . 1 . 2]" 1
1650 2 57 ARG QB 2 58 VAL HA 2.800 . 6.000 3.824 3.556 4.082 . 0 0 "[ . 1 . 2]" 1
1651 2 62 PHE HA 2 62 PHE HB3 2.700 . 3.600 3.023 3.008 3.032 . 0 0 "[ . 1 . 2]" 1
1652 2 62 PHE HA 2 62 PHE HB2 2.700 . 3.600 2.458 2.351 2.580 . 0 0 "[ . 1 . 2]" 1
1653 2 63 GLU HA 2 63 GLU HB2 2.300 . 3.000 2.771 2.463 3.020 0.020 7 0 "[ . 1 . 2]" 1
1654 2 63 GLU HA 2 63 GLU HB3 2.500 . 3.300 2.787 2.472 3.026 . 0 0 "[ . 1 . 2]" 1
1655 2 64 ASP HA 2 64 ASP HB2 2.300 . 2.900 2.506 2.244 2.718 . 0 0 "[ . 1 . 2]" 1
1656 2 69 GLU HA 2 69 GLU HG3 2.400 . 3.100 2.916 2.075 3.660 0.560 12 1 "[ . 1 + . 2]" 1
1657 2 69 GLU HA 2 69 GLU HB2 2.200 . 2.800 2.672 2.423 2.953 0.153 5 0 "[ . 1 . 2]" 1
1658 2 71 TYR HA 2 71 TYR HB2 3.000 . 4.100 2.878 2.373 3.030 . 0 0 "[ . 1 . 2]" 1
1659 2 77 VAL HA 2 78 LEU HA 2.800 . 6.000 4.410 4.357 4.480 . 0 0 "[ . 1 . 2]" 1
1660 2 77 VAL HA 2 77 VAL HB 2.900 . 4.000 2.935 2.477 3.032 . 0 0 "[ . 1 . 2]" 1
1661 2 84 TYR HA 2 85 ILE HA 3.000 . 6.000 4.673 4.623 4.703 . 0 0 "[ . 1 . 2]" 1
1662 2 84 TYR HA 2 84 TYR HB2 2.500 . 3.300 2.415 2.350 2.536 . 0 0 "[ . 1 . 2]" 1
1663 2 84 TYR HA 2 84 TYR HB3 2.500 . 3.300 3.026 3.010 3.033 . 0 0 "[ . 1 . 2]" 1
1664 2 86 VAL HA 2 86 VAL HB 3.000 . 4.100 3.027 2.998 3.039 . 0 0 "[ . 1 . 2]" 1
1665 2 95 LYS QE 2 96 LYS HA 2.700 . 6.000 4.835 3.060 5.780 . 0 0 "[ . 1 . 2]" 1
1666 2 96 LYS HB2 2 97 GLN HA 2.400 . 6.000 5.268 4.177 5.759 . 0 0 "[ . 1 . 2]" 1
1667 2 97 GLN HA 2 97 GLN HG2 2.300 . 3.000 2.864 2.497 3.696 0.696 10 1 "[ . + . 2]" 1
1668 2 97 GLN HA 2 97 GLN HB3 2.100 . 2.600 2.487 2.252 2.934 0.334 6 0 "[ . 1 . 2]" 1
1669 2 98 GLU HA 2 98 GLU HG2 2.400 . 3.100 2.559 1.975 3.231 0.131 20 0 "[ . 1 . 2]" 1
1670 2 98 GLU HA 2 98 GLU HG3 2.200 . 2.800 2.788 1.976 3.347 0.547 3 1 "[ + . 1 . 2]" 1
1671 2 28 ARG HA 2 28 ARG HG2 2.800 . 3.800 2.734 2.118 3.368 . 0 0 "[ . 1 . 2]" 1
1672 2 28 ARG HD3 2 28 ARG HG2 2.900 . 3.900 2.491 2.229 3.014 . 0 0 "[ . 1 . 2]" 1
1673 2 28 ARG HB3 2 28 ARG HG2 2.900 . 4.000 2.534 2.210 3.006 . 0 0 "[ . 1 . 2]" 1
1674 2 4 ARG HD2 2 4 ARG QG 2.500 . 3.200 2.296 2.133 2.521 . 0 0 "[ . 1 . 2]" 1
1675 2 2 LYS HE2 2 2 LYS HG2 2.800 . 3.700 3.012 2.045 4.010 0.310 14 0 "[ . 1 . 2]" 1
1676 2 39 THR HA 2 39 THR HG1 1.900 . 6.000 3.667 2.501 3.969 . 0 0 "[ . 1 . 2]" 1
1677 2 3 LYS HB2 2 3 LYS HG2 2.600 . 3.400 2.914 2.468 3.015 . 0 0 "[ . 1 . 2]" 1
1678 2 3 LYS HD3 2 3 LYS HG2 2.300 . 3.000 2.475 2.219 3.010 0.010 13 0 "[ . 1 . 2]" 1
1679 2 57 ARG QB 2 57 ARG HD2 2.600 . 3.500 2.903 2.326 3.526 0.026 3 0 "[ . 1 . 2]" 1
1680 2 57 ARG HA 2 57 ARG HD2 2.400 . 3.100 2.438 1.769 3.639 0.539 1 1 "[+ . 1 . 2]" 1
1681 2 57 ARG HD2 2 57 ARG HG2 2.800 . 3.800 2.934 2.542 3.016 . 0 0 "[ . 1 . 2]" 1
1682 2 68 PRO HB3 2 68 PRO HG2 2.800 . 3.800 2.735 2.670 2.909 . 0 0 "[ . 1 . 2]" 1
1683 2 68 PRO HD3 2 68 PRO HG3 3.000 . 4.100 2.311 2.263 2.328 . 0 0 "[ . 1 . 2]" 1
1684 2 14 ILE HB 2 14 ILE HG12 2.800 . 3.800 2.993 2.937 3.031 . 0 0 "[ . 1 . 2]" 1
1685 2 14 ILE HB 2 14 ILE HG13 2.700 . 3.600 2.592 2.469 2.733 . 0 0 "[ . 1 . 2]" 1
1686 2 99 THR HB 2 99 THR HG1 2.100 . 2.600 2.597 2.117 2.838 0.238 5 0 "[ . 1 . 2]" 1
1687 2 3 LYS HB3 2 3 LYS HG2 2.700 . 3.600 2.606 2.215 3.013 . 0 0 "[ . 1 . 2]" 1
1688 2 68 PRO HA 2 68 PRO HG2 3.100 . 4.300 4.043 3.971 4.097 . 0 0 "[ . 1 . 2]" 1
1689 2 81 HIS HA 2 81 HIS HB3 2.700 . 3.600 2.792 2.484 3.030 . 0 0 "[ . 1 . 2]" 1
1690 2 81 HIS HA 2 81 HIS HB2 2.700 . 3.600 2.817 2.506 3.029 . 0 0 "[ . 1 . 2]" 1
1691 2 17 LEU HA 2 17 LEU HB2 2.500 . 3.300 2.951 2.863 3.007 . 0 0 "[ . 1 . 2]" 1
1692 1 59 TRP HH2 1 59 TRP HZ3 2.500 . 3.300 2.442 2.437 2.447 . 0 0 "[ . 1 . 2]" 1
1693 2 59 TRP HH2 2 59 TRP HZ3 2.500 . 3.300 2.441 2.438 2.444 . 0 0 "[ . 1 . 2]" 1
1694 1 10 PHE HZ 1 24 ILE HA 3.200 . 4.500 2.814 2.093 3.490 . 0 0 "[ . 1 . 2]" 1
1695 1 89 TRP HA 1 89 TRP HD1 2.700 . 3.600 2.899 2.115 3.638 0.038 6 0 "[ . 1 . 2]" 1
1696 1 4 ARG HA 1 59 TRP HZ3 3.200 . 4.400 3.910 2.735 4.429 0.029 14 0 "[ . 1 . 2]" 1
1697 1 10 PHE HZ 1 28 ARG HA 3.500 . 5.100 3.810 3.279 4.567 . 0 0 "[ . 1 . 2]" 1
1698 1 67 LEU HA 1 68 PRO HD2 2.900 . 4.000 2.734 2.403 4.156 0.156 14 0 "[ . 1 . 2]" 1
1699 2 10 PHE HZ 2 24 ILE HA 3.200 . 4.500 2.816 2.197 3.618 . 0 0 "[ . 1 . 2]" 1
1700 2 89 TRP HA 2 89 TRP HD1 2.700 . 3.600 2.959 2.011 3.678 0.078 19 0 "[ . 1 . 2]" 1
1701 2 4 ARG HA 2 59 TRP HZ3 3.200 . 4.400 3.802 2.747 4.420 0.020 4 0 "[ . 1 . 2]" 1
1702 2 10 PHE HZ 2 28 ARG HA 3.500 . 5.100 3.804 3.257 4.440 . 0 0 "[ . 1 . 2]" 1
1703 2 67 LEU HA 2 68 PRO HD2 2.900 . 4.000 2.689 2.349 4.184 0.184 14 0 "[ . 1 . 2]" 1
1704 1 11 GLN HA 1 15 GLN H 3.500 . 5.000 4.248 3.689 4.932 . 0 0 "[ . 1 . 2]" 1
1705 1 36 PRO HB3 1 39 THR H 2.900 . 6.000 4.278 3.699 5.603 . 0 0 "[ . 1 . 2]" 1
1706 1 95 LYS HA 1 98 GLU H 2.400 . 3.100 3.029 2.716 3.270 0.170 2 0 "[ . 1 . 2]" 1
1707 1 90 GLU H 1 92 ASP H 3.200 . 4.500 3.893 3.676 4.086 . 0 0 "[ . 1 . 2]" 1
1708 1 86 VAL HA 1 89 TRP H 3.000 . 4.100 3.203 3.006 3.458 . 0 0 "[ . 1 . 2]" 1
1709 2 11 GLN HA 2 15 GLN H 3.500 . 5.000 4.166 3.465 4.649 . 0 0 "[ . 1 . 2]" 1
1710 2 36 PRO HB3 2 39 THR H 2.900 . 6.000 4.462 3.852 5.072 . 0 0 "[ . 1 . 2]" 1
1711 2 95 LYS HA 2 98 GLU H 2.400 . 3.100 3.070 2.856 3.187 0.087 2 0 "[ . 1 . 2]" 1
1712 2 90 GLU H 2 92 ASP H 3.200 . 4.500 3.844 3.656 4.203 . 0 0 "[ . 1 . 2]" 1
1713 2 86 VAL HA 2 89 TRP H 3.000 . 4.100 3.203 3.099 3.398 . 0 0 "[ . 1 . 2]" 1
1714 1 75 THR H 1 76 ALA H 3.200 . 4.400 4.286 4.111 4.441 0.041 10 0 "[ . 1 . 2]" 1
1715 2 75 THR H 2 76 ALA H 3.200 . 4.400 4.311 4.098 4.448 0.048 5 0 "[ . 1 . 2]" 1
1716 1 4 ARG QG 1 35 LYS HA 2.500 . 6.000 5.748 4.820 5.938 . 0 0 "[ . 1 . 2]" 1
1717 1 3 LYS HA 1 3 LYS HB2 2.300 . 3.000 2.862 2.481 3.025 0.025 13 0 "[ . 1 . 2]" 1
1718 1 13 ALA HA 1 65 LYS HB2 2.300 . 6.000 3.634 2.042 5.304 . 0 0 "[ . 1 . 2]" 1
1719 1 41 ALA HA 1 42 THR HA 2.500 . 6.000 4.734 4.672 4.799 . 0 0 "[ . 1 . 2]" 1
1720 1 39 THR HG1 1 40 PHE HA 2.900 . 6.000 5.432 3.912 6.120 0.120 2 0 "[ . 1 . 2]" 1
1721 1 37 GLN HA 1 51 VAL HB 2.700 . 6.000 4.799 3.748 5.560 . 0 0 "[ . 1 . 2]" 1
1722 1 11 GLN HE21 1 14 ILE HG13 3.000 . 6.000 4.491 2.703 6.180 0.180 7 0 "[ . 1 . 2]" 1
1723 1 14 ILE HB 1 17 LEU HG 2.400 . 6.000 5.897 4.869 6.070 0.070 9 0 "[ . 1 . 2]" 1
1724 2 4 ARG QG 2 35 LYS HA 2.500 . 6.000 5.768 4.270 6.011 0.011 19 0 "[ . 1 . 2]" 1
1725 2 3 LYS HA 2 3 LYS HB2 2.300 . 3.000 2.871 2.427 3.028 0.028 19 0 "[ . 1 . 2]" 1
1726 2 13 ALA HA 2 65 LYS HB2 2.300 . 6.000 3.606 2.435 5.133 . 0 0 "[ . 1 . 2]" 1
1727 2 41 ALA HA 2 42 THR HA 2.500 . 6.000 4.729 4.649 4.819 . 0 0 "[ . 1 . 2]" 1
1728 2 39 THR HG1 2 40 PHE HA 2.900 . 6.000 5.290 4.071 6.069 0.069 12 0 "[ . 1 . 2]" 1
1729 2 37 GLN HA 2 51 VAL HB 2.700 . 6.000 4.804 3.741 5.794 . 0 0 "[ . 1 . 2]" 1
1730 2 11 GLN HE21 2 14 ILE HG13 3.000 . 6.000 4.772 2.410 6.701 0.701 11 1 "[ . 1+ . 2]" 1
1731 2 14 ILE HB 2 17 LEU HG 2.400 . 6.000 5.829 4.761 6.054 0.054 16 0 "[ . 1 . 2]" 1
1732 2 19 VAL HA 2 21 GLN H 3.500 . 6.000 6.178 6.047 6.380 0.380 5 0 "[ . 1 . 2]" 1
1733 1 19 VAL HA 1 21 GLN H 3.500 . 6.000 6.175 6.044 6.335 0.335 5 0 "[ . 1 . 2]" 1
1734 1 12 GLU HA 1 12 GLU HG3 2.500 . 3.300 3.231 2.024 3.694 0.394 9 0 "[ . 1 . 2]" 1
1735 2 12 GLU HA 2 12 GLU HG2 2.500 . 3.300 2.490 2.020 3.458 0.158 14 0 "[ . 1 . 2]" 1
1736 1 4 ARG QB 1 35 LYS H 2.900 . 6.000 5.651 4.588 5.890 . 0 0 "[ . 1 . 2]" 1
1737 2 4 ARG QB 2 35 LYS H 2.900 . 6.000 5.539 4.363 5.874 . 0 0 "[ . 1 . 2]" 1
1738 1 12 GLU HG3 1 13 ALA H 3.500 . 5.000 4.885 4.239 5.355 0.355 2 0 "[ . 1 . 2]" 1
1739 2 12 GLU HG2 2 13 ALA H 3.500 . 5.000 4.883 4.390 5.257 0.257 14 0 "[ . 1 . 2]" 1
1740 1 101 ARG HA 1 101 ARG HG3 2.300 . 2.900 3.112 2.150 3.744 0.844 19 6 "[ * . * *1 . *-+2]" 1
1741 1 48 ARG HB2 1 51 VAL HB 2.700 . 6.000 5.500 4.714 5.982 . 0 0 "[ . 1 . 2]" 1
1742 2 48 ARG HB2 2 51 VAL HB 2.700 . 6.000 5.647 4.382 6.388 0.388 10 0 "[ . 1 . 2]" 1
1743 1 41 ALA HA 1 47 THR H 3.700 . 5.400 4.998 4.579 5.386 . 0 0 "[ . 1 . 2]" 1
1744 1 97 GLN HG3 1 98 GLU H 2.700 . 6.000 3.870 3.417 4.331 . 0 0 "[ . 1 . 2]" 1
1745 1 89 TRP HB3 1 92 ASP H 3.700 . 5.400 4.569 4.314 4.835 . 0 0 "[ . 1 . 2]" 1
1746 1 44 LEU HB2 1 46 LEU H 2.500 . 3.300 2.812 2.009 3.640 0.340 4 0 "[ . 1 . 2]" 1
1747 1 95 LYS HA 1 97 GLN H 2.300 . 6.000 3.162 2.981 3.307 . 0 0 "[ . 1 . 2]" 1
1748 1 94 LYS QG 1 97 GLN H 3.400 . 4.900 4.538 4.095 4.915 0.015 5 0 "[ . 1 . 2]" 1
1749 1 57 ARG HB2 1 60 ALA H 3.600 . 5.300 4.830 4.568 4.934 . 0 0 "[ . 1 . 2]" 1
1750 1 52 SER HB3 1 55 VAL H 3.100 . 4.300 4.329 4.164 4.425 0.125 7 0 "[ . 1 . 2]" 1
1751 1 48 ARG HA 1 52 SER H 2.900 . 4.000 3.806 3.658 3.961 . 0 0 "[ . 1 . 2]" 1
1752 1 15 GLN HA 1 16 GLY H 2.400 . 3.100 2.340 2.070 2.575 . 0 0 "[ . 1 . 2]" 1
1753 1 85 ILE HA 1 88 LYS H 3.100 . 4.300 3.201 3.035 3.413 . 0 0 "[ . 1 . 2]" 1
1754 1 23 THR HG1 1 54 ALA H 3.500 . 6.000 5.470 4.383 5.873 . 0 0 "[ . 1 . 2]" 1
1755 1 19 VAL H 1 20 GLY HA2 3.500 . 5.000 4.350 4.144 4.546 . 0 0 "[ . 1 . 2]" 1
1756 1 59 TRP HA 1 60 ALA H 3.400 . 4.900 2.716 2.693 2.738 . 0 0 "[ . 1 . 2]" 1
1757 1 41 ALA HA 1 46 LEU H 2.400 . 3.100 2.680 2.280 3.001 . 0 0 "[ . 1 . 2]" 1
1758 1 68 PRO HB2 1 71 TYR H 3.600 . 5.200 4.833 3.916 5.637 0.437 18 0 "[ . 1 . 2]" 1
1759 1 36 PRO HB3 1 40 PHE H 3.900 . 5.800 5.130 4.445 5.458 . 0 0 "[ . 1 . 2]" 1
1760 1 89 TRP H 1 92 ASP HB2 3.400 . 4.800 4.630 4.139 5.295 0.495 16 0 "[ . 1 . 2]" 1
1761 1 89 TRP H 1 89 TRP HB3 3.000 . 4.100 3.168 2.916 3.327 . 0 0 "[ . 1 . 2]" 1
1762 1 5 LEU H 1 59 TRP HA 3.200 . 6.000 6.041 5.743 6.133 0.133 6 0 "[ . 1 . 2]" 1
1763 1 30 VAL H 1 40 PHE HB2 3.800 . 5.600 5.022 4.567 5.607 0.007 20 0 "[ . 1 . 2]" 1
1764 1 50 ALA HA 1 53 GLN HE22 3.800 . 5.600 4.608 3.206 5.263 . 0 0 "[ . 1 . 2]" 1
1765 1 3 LYS HA 1 5 LEU H 3.900 . 5.800 4.853 4.397 5.520 . 0 0 "[ . 1 . 2]" 1
1766 1 84 TYR H 1 85 ILE HA 3.800 . 5.600 5.172 5.111 5.210 . 0 0 "[ . 1 . 2]" 1
1767 2 41 ALA HA 2 47 THR H 3.700 . 5.400 4.979 4.541 5.336 . 0 0 "[ . 1 . 2]" 1
1768 2 97 GLN HG3 2 98 GLU H 2.700 . 6.000 3.712 3.190 4.116 . 0 0 "[ . 1 . 2]" 1
1769 2 89 TRP HB3 2 92 ASP H 3.700 . 5.400 4.517 4.284 4.825 . 0 0 "[ . 1 . 2]" 1
1770 2 44 LEU HB2 2 46 LEU H 2.500 . 3.300 2.826 2.223 3.751 0.451 4 0 "[ . 1 . 2]" 1
1771 2 95 LYS HA 2 97 GLN H 2.300 . 6.000 3.175 3.040 3.272 . 0 0 "[ . 1 . 2]" 1
1772 2 94 LYS HG2 2 97 GLN H 3.400 . 4.900 4.823 4.314 5.149 0.249 13 0 "[ . 1 . 2]" 1
1773 2 57 ARG QB 2 60 ALA H 3.600 . 5.300 4.547 4.334 4.716 . 0 0 "[ . 1 . 2]" 1
1774 2 52 SER HB3 2 55 VAL H 3.100 . 4.300 4.330 4.134 4.456 0.156 12 0 "[ . 1 . 2]" 1
1775 2 48 ARG HA 2 52 SER H 2.900 . 4.000 3.867 3.589 4.126 0.126 16 0 "[ . 1 . 2]" 1
1776 2 15 GLN HA 2 16 GLY H 2.400 . 3.100 2.363 2.068 2.571 . 0 0 "[ . 1 . 2]" 1
1777 2 85 ILE HA 2 88 LYS H 3.100 . 4.300 3.157 2.970 3.580 . 0 0 "[ . 1 . 2]" 1
1778 2 23 THR HG1 2 54 ALA H 3.500 . 6.000 5.544 4.954 5.947 . 0 0 "[ . 1 . 2]" 1
1779 2 19 VAL H 2 20 GLY HA2 3.500 . 5.000 4.389 4.082 4.551 . 0 0 "[ . 1 . 2]" 1
1780 2 59 TRP HA 2 60 ALA H 3.400 . 4.900 2.716 2.699 2.734 . 0 0 "[ . 1 . 2]" 1
1781 2 41 ALA HA 2 46 LEU H 2.400 . 3.100 2.619 2.324 3.025 . 0 0 "[ . 1 . 2]" 1
1782 2 68 PRO HB2 2 71 TYR H 3.600 . 5.200 4.812 4.364 5.276 0.076 16 0 "[ . 1 . 2]" 1
1783 2 36 PRO HB3 2 40 PHE H 3.900 . 5.800 5.225 4.872 5.560 . 0 0 "[ . 1 . 2]" 1
1784 2 89 TRP H 2 92 ASP HB2 3.400 . 4.800 4.477 4.039 4.826 0.026 16 0 "[ . 1 . 2]" 1
1785 2 89 TRP H 2 89 TRP HB3 3.000 . 4.100 3.199 2.990 3.364 . 0 0 "[ . 1 . 2]" 1
1786 2 5 LEU H 2 59 TRP HA 3.200 . 6.000 6.084 5.936 6.205 0.205 10 0 "[ . 1 . 2]" 1
1787 2 30 VAL H 2 40 PHE HB2 3.800 . 5.600 4.963 4.366 5.513 . 0 0 "[ . 1 . 2]" 1
1788 2 50 ALA HA 2 53 GLN HE22 3.800 . 5.600 4.360 3.122 5.101 . 0 0 "[ . 1 . 2]" 1
1789 2 3 LYS HA 2 5 LEU H 3.900 . 5.800 4.883 4.399 5.513 . 0 0 "[ . 1 . 2]" 1
1790 2 84 TYR H 2 85 ILE HA 3.800 . 5.600 5.168 5.124 5.200 . 0 0 "[ . 1 . 2]" 1
1791 1 7 GLU HB3 1 8 SER HA 2.500 . 6.000 3.773 2.894 4.402 . 0 0 "[ . 1 . 2]" 1
1792 1 94 LYS HA 1 94 LYS HB2 2.100 . 2.700 2.513 2.363 2.694 . 0 0 "[ . 1 . 2]" 1
1793 1 22 GLN HA 1 25 GLU QB 2.200 . 2.800 2.563 2.203 2.792 . 0 0 "[ . 1 . 2]" 1
1794 1 50 ALA HA 1 53 GLN HB3 2.500 . 3.300 2.986 2.557 3.450 0.150 16 0 "[ . 1 . 2]" 1
1795 1 95 LYS HA 1 99 THR HA 1.800 . 6.000 5.488 3.815 6.063 0.063 16 0 "[ . 1 . 2]" 1
1796 1 17 LEU HG 1 18 GLU HG3 2.500 . 6.000 5.560 3.534 6.602 0.602 11 1 "[ . 1+ . 2]" 1
1797 1 15 GLN HA 1 17 LEU HB2 2.800 . 6.000 4.757 4.313 5.323 . 0 0 "[ . 1 . 2]" 1
1798 2 7 GLU HB3 2 8 SER HA 2.500 . 6.000 3.817 3.156 4.291 . 0 0 "[ . 1 . 2]" 1
1799 2 94 LYS HA 2 94 LYS HB2 2.100 . 2.700 2.504 2.254 2.691 . 0 0 "[ . 1 . 2]" 1
1800 2 22 GLN HA 2 25 GLU QB 2.200 . 2.800 2.487 1.682 2.797 . 0 0 "[ . 1 . 2]" 1
1801 2 50 ALA HA 2 53 GLN HB3 2.500 . 3.300 2.980 2.370 3.331 0.031 18 0 "[ . 1 . 2]" 1
1802 2 95 LYS HA 2 99 THR HA 1.800 . 6.000 5.562 4.253 6.082 0.082 2 0 "[ . 1 . 2]" 1
1803 2 17 LEU HG 2 18 GLU HG3 2.500 . 6.000 5.422 2.908 6.841 0.841 13 2 "[ . 1 + - 2]" 1
1804 2 15 GLN HA 2 17 LEU HB2 2.800 . 6.000 4.800 4.303 5.357 . 0 0 "[ . 1 . 2]" 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 13
_Distance_constraint_stats_list.Viol_count 86
_Distance_constraint_stats_list.Viol_total 572.433
_Distance_constraint_stats_list.Viol_max 2.336
_Distance_constraint_stats_list.Viol_rms 0.3141
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1101
_Distance_constraint_stats_list.Viol_average_violations_only 0.3328
_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 72 ALA 3.011 0.710 15 1 "[ . 1 + 2]"
1 74 VAL 1.598 0.228 12 0 "[ . 1 . 2]"
1 76 ALA 2.968 0.444 11 0 "[ . 1 . 2]"
1 78 LEU 21.045 2.336 11 15 "[* * .* **1+******-**]"
2 72 ALA 21.045 2.336 11 15 "[* * .* **1+******-**]"
2 74 VAL 2.968 0.444 11 0 "[ . 1 . 2]"
2 76 ALA 1.598 0.228 12 0 "[ . 1 . 2]"
2 78 LEU 3.011 0.710 15 1 "[ . 1 + 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 78 LEU H 2 72 ALA O 1.800 . 2.300 2.188 1.773 2.736 0.436 12 0 "[ . 1 . 2]" 2
2 1 78 LEU N 2 72 ALA O 2.800 2.800 3.300 3.064 2.754 3.493 0.193 8 0 "[ . 1 . 2]" 2
3 1 74 VAL H 2 76 ALA O 1.800 . 2.300 2.016 1.812 2.426 0.126 8 0 "[ . 1 . 2]" 2
4 1 74 VAL N 2 76 ALA O 2.800 2.800 3.300 2.786 2.675 2.951 0.125 9 0 "[ . 1 . 2]" 2
5 1 76 ALA H 2 74 VAL O 1.800 . 2.300 2.192 1.889 2.744 0.444 11 0 "[ . 1 . 2]" 2
6 1 76 ALA N 2 74 VAL O 2.800 2.800 3.300 3.142 2.823 3.644 0.344 11 0 "[ . 1 . 2]" 2
7 1 78 LEU O 2 72 ALA N 2.800 2.800 3.300 4.215 2.850 5.636 2.336 11 15 "[* * .* **1+******-**]" 2
8 1 72 ALA O 2 78 LEU H 1.800 . 2.300 2.235 1.867 3.010 0.710 15 1 "[ . 1 + 2]" 2
9 1 72 ALA O 2 78 LEU N 2.800 2.800 3.300 3.077 2.806 3.906 0.606 15 1 "[ . 1 + 2]" 2
10 1 76 ALA O 2 74 VAL H 1.800 . 2.300 2.094 1.814 2.642 0.342 11 0 "[ . 1 . 2]" 2
11 1 76 ALA O 2 74 VAL N 2.800 2.800 3.300 2.844 2.657 3.217 0.143 13 0 "[ . 1 . 2]" 2
12 1 74 VAL O 2 76 ALA H 1.800 . 2.300 2.134 1.816 2.528 0.228 12 0 "[ . 1 . 2]" 2
13 1 74 VAL O 2 76 ALA N 2.800 2.800 3.300 3.081 2.794 3.470 0.170 12 0 "[ . 1 . 2]" 2
stop_
save_
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