NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390112 |
1o7c   |
6392 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1o7c
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 1192
_Distance_constraint_stats_list.Viol_count 3373
_Distance_constraint_stats_list.Viol_total 3314.040
_Distance_constraint_stats_list.Viol_max 0.980
_Distance_constraint_stats_list.Viol_rms 0.0412
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0491
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 5.676 0.622 8 4 "[ . -+ 1** . 2]"
1 2 VAL 4.389 0.622 8 3 "[ . + 1*- . 2]"
1 3 TYR 1.108 0.086 17 0 "[ . 1 . 2]"
1 4 HIS 0.864 0.108 15 0 "[ . 1 . 2]"
1 5 ARG 2.214 0.812 17 1 "[ . 1 . + 2]"
1 6 GLU 6.793 0.812 17 7 "[ *.* ** .*+- 2]"
1 7 ALA 1.094 0.063 18 0 "[ . 1 . 2]"
1 8 ARG 0.073 0.015 16 0 "[ . 1 . 2]"
1 9 SER 0.401 0.055 17 0 "[ . 1 . 2]"
1 10 GLY 1.679 0.252 14 0 "[ . 1 . 2]"
1 11 LYS 12.585 0.907 4 11 "[ +** *** ****- 2]"
1 12 TYR 9.376 0.907 4 9 "[ +* *** *- ** 2]"
1 13 LYS 5.389 0.393 14 0 "[ . 1 . 2]"
1 14 LEU 3.375 0.162 11 0 "[ . 1 . 2]"
1 15 THR 0.363 0.036 11 0 "[ . 1 . 2]"
1 16 TYR 1.769 0.069 13 0 "[ . 1 . 2]"
1 17 ALA 4.671 0.615 15 2 "[ . 1 -+ 2]"
1 18 GLU 3.747 0.085 15 0 "[ . 1 . 2]"
1 19 ALA 1.739 0.105 20 0 "[ . 1 . 2]"
1 20 LYS 5.242 0.615 15 2 "[ . 1 -+ 2]"
1 21 ALA 1.421 0.048 18 0 "[ . 1 . 2]"
1 22 VAL 2.717 0.064 12 0 "[ . 1 . 2]"
1 23 CYS 3.008 0.074 11 0 "[ . 1 . 2]"
1 24 GLU 0.893 0.064 19 0 "[ . 1 . 2]"
1 25 PHE 2.097 0.049 18 0 "[ . 1 . 2]"
1 26 GLU 3.073 0.056 7 0 "[ . 1 . 2]"
1 27 GLY 2.784 0.072 7 0 "[ . 1 . 2]"
1 28 GLY 0.817 0.112 18 0 "[ . 1 . 2]"
1 29 HIS 11.403 0.420 8 0 "[ . 1 . 2]"
1 30 LEU 3.723 0.173 18 0 "[ . 1 . 2]"
1 31 ALA 1.892 0.081 14 0 "[ . 1 . 2]"
1 32 THR 1.632 0.067 9 0 "[ . 1 . 2]"
1 33 TYR 4.289 0.073 9 0 "[ . 1 . 2]"
1 34 LYS 3.135 0.073 9 0 "[ . 1 . 2]"
1 35 GLN 3.468 0.074 17 0 "[ . 1 . 2]"
1 36 LEU 0.381 0.035 14 0 "[ . 1 . 2]"
1 37 GLU 3.875 0.871 9 1 "[ . +1 . 2]"
1 38 ALA 6.531 0.871 9 1 "[ . +1 . 2]"
1 39 ALA 2.608 0.084 10 0 "[ . 1 . 2]"
1 40 ARG 5.313 0.094 1 0 "[ . 1 . 2]"
1 41 LYS 6.041 0.133 16 0 "[ . 1 . 2]"
1 42 ILE 3.180 0.079 2 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PHE 3.707 0.128 1 0 "[ . 1 . 2]"
1 45 HIS 0.565 0.035 10 0 "[ . 1 . 2]"
1 46 VAL 0.735 0.047 12 0 "[ . 1 . 2]"
1 47 CYS 0.881 0.350 13 0 "[ . 1 . 2]"
1 48 ALA 1.388 0.350 13 0 "[ . 1 . 2]"
1 49 ALA 0.031 0.015 16 0 "[ . 1 . 2]"
1 50 GLY 0.369 0.085 14 0 "[ . 1 . 2]"
1 51 TRP 3.941 0.089 16 0 "[ . 1 . 2]"
1 52 MET 0.245 0.029 7 0 "[ . 1 . 2]"
1 53 ALA 1.490 0.073 4 0 "[ . 1 . 2]"
1 54 LYS 0.803 0.047 14 0 "[ . 1 . 2]"
1 55 GLY 0.736 0.048 16 0 "[ . 1 . 2]"
1 56 ARG 3.274 0.760 15 2 "[ . 1- + 2]"
1 57 VAL 2.538 0.148 13 0 "[ . 1 . 2]"
1 58 GLY 0.376 0.085 14 0 "[ . 1 . 2]"
1 59 TYR 1.471 0.061 8 0 "[ . 1 . 2]"
1 60 PRO 0.013 0.012 11 0 "[ . 1 . 2]"
1 61 ILE 1.161 0.045 17 0 "[ . 1 . 2]"
1 62 VAL 0.374 0.042 15 0 "[ . 1 . 2]"
1 63 LYS 2.092 0.316 13 0 "[ . 1 . 2]"
1 64 PRO 0.058 0.009 17 0 "[ . 1 . 2]"
1 65 GLY 4.531 0.651 13 4 "[ * 1 + . * -]"
1 66 PRO 6.901 0.651 13 5 "[ * 1 + . **-]"
1 67 ASN 2.688 0.633 19 1 "[ . 1 . +2]"
1 68 CYS 0.507 0.104 19 0 "[ . 1 . 2]"
1 69 GLY 0.211 0.039 12 0 "[ . 1 . 2]"
1 70 PHE 0.175 0.049 19 0 "[ . 1 . 2]"
1 71 GLY 0.011 0.011 17 0 "[ . 1 . 2]"
1 72 LYS 0.834 0.111 19 0 "[ . 1 . 2]"
1 73 THR 2.753 0.379 3 0 "[ . 1 . 2]"
1 74 GLY 0.212 0.022 9 0 "[ . 1 . 2]"
1 75 ILE 3.441 0.737 9 1 "[ . +1 . 2]"
1 76 ILE 2.514 0.379 3 0 "[ . 1 . 2]"
1 77 ASP 6.847 0.614 10 9 "[* *** + *- * *]"
1 78 TYR 3.300 0.249 4 0 "[ . 1 . 2]"
1 79 GLY 0.028 0.017 4 0 "[ . 1 . 2]"
1 80 ILE 1.150 0.109 16 0 "[ . 1 . 2]"
1 81 ARG 1.243 0.547 11 1 "[ . 1+ . 2]"
1 82 LEU 1.483 0.278 10 0 "[ . 1 . 2]"
1 83 ASN 1.499 0.980 4 1 "[ +. 1 . 2]"
1 84 ARG 1.269 0.140 11 0 "[ . 1 . 2]"
1 85 SER 0.621 0.201 1 0 "[ . 1 . 2]"
1 86 GLU 2.222 0.980 4 1 "[ +. 1 . 2]"
1 87 ARG 15.242 0.723 1 12 "[+ * ** * * ***-** 2]"
1 88 TRP 9.366 0.723 1 8 "[+ * .* * 1 **.-* 2]"
1 89 ASP 3.515 0.320 15 0 "[ . 1 . 2]"
1 90 ALA 1.710 0.089 16 0 "[ . 1 . 2]"
1 91 TYR 3.256 0.108 15 0 "[ . 1 . 2]"
1 92 CYS 0.787 0.098 11 0 "[ . 1 . 2]"
1 93 TYR 6.417 0.515 7 1 "[ . + 1 . 2]"
1 94 ASN 0.737 0.051 12 0 "[ . 1 . 2]"
1 95 PRO 1.008 0.086 12 0 "[ . 1 . 2]"
1 96 HIS 0.610 0.086 12 0 "[ . 1 . 2]"
1 97 ALA 1.442 0.133 18 0 "[ . 1 . 2]"
1 98 LYS 2.167 0.653 18 2 "[ . 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 1 GLY HA3 1 2 VAL H 0.000 . 2.700 2.838 2.314 3.322 0.622 8 3 "[ . + 1*- . 2]" 1
2 1 1 GLY HA3 1 94 ASN H 0.000 . 5.000 4.131 3.329 5.005 0.005 1 0 "[ . 1 . 2]" 1
3 1 1 GLY HA2 1 2 VAL QG 0.000 . 5.000 3.898 3.312 4.675 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY HA2 1 2 VAL H 0.000 . 3.500 2.777 2.139 3.551 0.051 15 0 "[ . 1 . 2]" 1
5 1 1 GLY HA2 1 94 ASN H 0.000 . 5.000 4.265 3.067 4.956 . 0 0 "[ . 1 . 2]" 1
6 1 10 GLY H 1 10 GLY HA3 0.000 . 2.700 2.695 2.585 2.952 0.252 14 0 "[ . 1 . 2]" 1
7 1 10 GLY HA3 1 11 LYS H 0.000 . 2.700 2.437 2.323 2.533 . 0 0 "[ . 1 . 2]" 1
8 1 10 GLY H 1 10 GLY HA2 0.000 . 3.000 2.868 2.541 2.942 . 0 0 "[ . 1 . 2]" 1
9 1 10 GLY HA2 1 11 LYS H 0.000 . 2.700 2.684 2.587 2.772 0.072 14 0 "[ . 1 . 2]" 1
10 1 9 SER H 1 10 GLY HA2 0.000 . 5.000 4.862 3.809 5.013 0.013 17 0 "[ . 1 . 2]" 1
11 1 8 ARG H 1 10 GLY H 0.000 . 5.000 4.146 3.823 4.455 . 0 0 "[ . 1 . 2]" 1
12 1 9 SER H 1 10 GLY H 0.000 . 3.500 2.197 1.636 2.383 . 0 0 "[ . 1 . 2]" 1
13 1 11 LYS H 1 11 LYS HB3 0.000 . 2.700 2.453 2.313 2.646 . 0 0 "[ . 1 . 2]" 1
14 1 11 LYS HB3 1 12 TYR H 0.000 . 5.000 3.791 3.378 4.011 . 0 0 "[ . 1 . 2]" 1
15 1 11 LYS H 1 11 LYS HB2 0.000 . 2.700 2.604 2.406 2.776 0.076 14 0 "[ . 1 . 2]" 1
16 1 11 LYS HB2 1 12 TYR H 0.000 . 5.000 3.829 3.732 3.909 . 0 0 "[ . 1 . 2]" 1
17 1 11 LYS QE 1 12 TYR QD 0.000 . 3.500 3.225 2.958 3.513 0.013 14 0 "[ . 1 . 2]" 1
18 1 11 LYS QE 1 12 TYR QE 0.000 . 2.700 2.672 2.594 2.709 0.009 10 0 "[ . 1 . 2]" 1
19 1 11 LYS QE 1 12 TYR HH 0.000 . 5.000 3.535 2.718 4.201 . 0 0 "[ . 1 . 2]" 1
20 1 11 LYS QE 1 48 ALA HA 0.000 . 5.000 3.489 2.707 4.357 . 0 0 "[ . 1 . 2]" 1
21 1 11 LYS QE 1 48 ALA MB 0.000 . 5.000 2.293 1.756 3.041 . 0 0 "[ . 1 . 2]" 1
22 1 11 LYS H 1 11 LYS HG3 0.000 . 5.000 4.474 4.375 4.616 . 0 0 "[ . 1 . 2]" 1
23 1 11 LYS HG3 1 12 TYR QD 0.000 . 3.500 3.112 2.456 3.535 0.035 14 0 "[ . 1 . 2]" 1
24 1 11 LYS HG3 1 12 TYR QE 0.000 . 3.500 3.882 3.513 4.407 0.907 4 9 "[ +* *** *- ** 2]" 1
25 1 11 LYS HG3 1 12 TYR H 0.000 . 5.000 2.372 1.644 3.357 . 0 0 "[ . 1 . 2]" 1
26 1 11 LYS QE 1 11 LYS HG2 0.000 . 3.500 2.274 2.005 2.906 . 0 0 "[ . 1 . 2]" 1
27 1 11 LYS H 1 11 LYS HG2 0.000 . 5.000 4.407 4.292 4.531 . 0 0 "[ . 1 . 2]" 1
28 1 11 LYS HG2 1 12 TYR QD 0.000 . 3.500 2.582 2.151 2.970 . 0 0 "[ . 1 . 2]" 1
29 1 11 LYS HG2 1 12 TYR H 0.000 . 5.000 2.384 1.724 3.021 . 0 0 "[ . 1 . 2]" 1
30 1 10 GLY H 1 11 LYS H 0.000 . 5.000 4.350 4.320 4.458 . 0 0 "[ . 1 . 2]" 1
31 1 12 TYR H 1 12 TYR HA 0.000 . 2.700 2.275 2.270 2.290 . 0 0 "[ . 1 . 2]" 1
32 1 12 TYR HA 1 13 LYS H 0.000 . 3.500 2.611 2.397 2.813 . 0 0 "[ . 1 . 2]" 1
33 1 12 TYR HA 1 14 LEU H 0.000 . 5.000 3.523 3.411 3.600 . 0 0 "[ . 1 . 2]" 1
34 1 12 TYR HA 1 88 TRP HE3 0.000 . 5.000 4.106 3.756 4.476 . 0 0 "[ . 1 . 2]" 1
35 1 12 TYR HA 1 88 TRP H 0.000 . 5.000 3.236 3.129 3.366 . 0 0 "[ . 1 . 2]" 1
36 1 12 TYR HA 1 89 ASP H 0.000 . 5.000 4.080 3.653 4.327 . 0 0 "[ . 1 . 2]" 1
37 1 12 TYR HB3 1 12 TYR QD 0.000 . 2.700 2.611 2.527 2.737 0.037 14 0 "[ . 1 . 2]" 1
38 1 12 TYR HB3 1 13 LYS H 0.000 . 5.000 4.353 4.218 4.413 . 0 0 "[ . 1 . 2]" 1
39 1 12 TYR HB2 1 12 TYR QD 0.000 . 2.700 2.618 2.310 2.705 0.005 13 0 "[ . 1 . 2]" 1
40 1 12 TYR HA 1 12 TYR QD 0.000 . 3.500 1.976 1.892 2.049 . 0 0 "[ . 1 . 2]" 1
41 1 12 TYR H 1 12 TYR QD 0.000 . 3.500 2.232 2.031 3.118 . 0 0 "[ . 1 . 2]" 1
42 1 12 TYR QD 1 13 LYS H 0.000 . 5.000 4.147 4.088 4.417 . 0 0 "[ . 1 . 2]" 1
43 1 12 TYR QD 1 14 LEU H 0.000 . 5.000 5.012 4.955 5.059 0.059 11 0 "[ . 1 . 2]" 1
44 1 12 TYR QD 1 49 ALA H 0.000 . 5.000 4.576 4.279 4.829 . 0 0 "[ . 1 . 2]" 1
45 1 12 TYR QD 1 88 TRP HE3 0.000 . 3.500 3.309 2.640 3.511 0.011 19 0 "[ . 1 . 2]" 1
46 1 12 TYR QD 1 89 ASP H 0.000 . 5.000 3.385 2.787 3.930 . 0 0 "[ . 1 . 2]" 1
47 1 12 TYR H 1 12 TYR QE 0.000 . 5.000 4.267 4.163 4.489 . 0 0 "[ . 1 . 2]" 1
48 1 12 TYR QE 1 49 ALA H 0.000 . 3.500 2.390 2.138 2.643 . 0 0 "[ . 1 . 2]" 1
49 1 12 TYR QE 1 88 TRP HZ3 0.000 . 5.000 3.819 3.250 4.495 . 0 0 "[ . 1 . 2]" 1
50 1 12 TYR QE 1 89 ASP H 0.000 . 5.000 3.731 3.164 4.301 . 0 0 "[ . 1 . 2]" 1
51 1 12 TYR HH 1 49 ALA H 0.000 . 5.000 2.732 1.795 4.395 . 0 0 "[ . 1 . 2]" 1
52 1 11 LYS HA 1 12 TYR H 0.000 . 2.700 2.330 2.249 2.453 . 0 0 "[ . 1 . 2]" 1
53 1 12 TYR H 1 13 LYS H 0.000 . 5.000 2.896 2.768 3.223 . 0 0 "[ . 1 . 2]" 1
54 1 13 LYS HA 1 13 LYS HD2 0.000 . 5.000 4.161 3.272 4.483 . 0 0 "[ . 1 . 2]" 1
55 1 13 LYS HA 1 14 LEU H 0.000 . 5.000 3.231 3.152 3.335 . 0 0 "[ . 1 . 2]" 1
56 1 13 LYS HA 1 13 LYS HB3 0.000 . 3.000 2.642 2.504 2.739 . 0 0 "[ . 1 . 2]" 1
57 1 13 LYS H 1 13 LYS HB3 0.000 . 3.500 3.751 3.557 3.893 0.393 14 0 "[ . 1 . 2]" 1
58 1 13 LYS HB2 1 14 LEU H 0.000 . 5.000 3.680 3.456 3.808 . 0 0 "[ . 1 . 2]" 1
59 1 11 LYS H 1 13 LYS QE 0.000 . 5.000 4.801 4.210 5.015 0.015 20 0 "[ . 1 . 2]" 1
60 1 10 GLY H 1 13 LYS QG 0.000 . 5.000 4.415 4.044 5.001 0.001 14 0 "[ . 1 . 2]" 1
61 1 11 LYS H 1 13 LYS QG 0.000 . 5.000 4.935 3.763 5.024 0.024 12 0 "[ . 1 . 2]" 1
62 1 13 LYS HA 1 13 LYS QG 0.000 . 2.700 2.175 2.073 2.482 . 0 0 "[ . 1 . 2]" 1
63 1 13 LYS H 1 13 LYS QG 0.000 . 5.000 3.609 3.287 3.742 . 0 0 "[ . 1 . 2]" 1
64 1 7 ALA MB 1 13 LYS H 0.000 . 5.000 3.278 2.872 3.578 . 0 0 "[ . 1 . 2]" 1
65 1 14 LEU HA 1 15 THR H 0.000 . 2.700 2.189 2.135 2.390 . 0 0 "[ . 1 . 2]" 1
66 1 14 LEU HA 1 18 GLU H 0.000 . 5.000 5.057 5.036 5.077 0.077 11 0 "[ . 1 . 2]" 1
67 1 14 LEU HA 1 19 ALA H 0.000 . 5.000 4.409 4.004 5.018 0.018 16 0 "[ . 1 . 2]" 1
68 1 14 LEU HA 1 88 TRP H 0.000 . 5.000 4.524 4.410 4.649 . 0 0 "[ . 1 . 2]" 1
69 1 14 LEU H 1 14 LEU HB3 0.000 . 3.500 3.491 3.049 3.559 0.059 14 0 "[ . 1 . 2]" 1
70 1 13 LYS H 1 14 LEU HB2 0.000 . 5.000 3.619 3.372 5.088 0.088 11 0 "[ . 1 . 2]" 1
71 1 14 LEU H 1 14 LEU HB2 0.000 . 3.500 2.441 2.282 3.662 0.162 11 0 "[ . 1 . 2]" 1
72 1 14 LEU HB2 1 15 THR H 0.000 . 5.000 4.073 2.365 4.372 . 0 0 "[ . 1 . 2]" 1
73 1 14 LEU HB2 1 19 ALA H 0.000 . 5.000 4.773 3.098 5.105 0.105 20 0 "[ . 1 . 2]" 1
74 1 14 LEU HB2 1 51 TRP HE1 0.000 . 5.000 4.758 4.561 5.010 0.010 11 0 "[ . 1 . 2]" 1
75 1 14 LEU HB2 1 88 TRP H 0.000 . 5.000 3.829 3.493 4.920 . 0 0 "[ . 1 . 2]" 1
76 1 10 GLY H 1 14 LEU QD 0.000 . 5.000 4.947 4.788 5.024 0.024 13 0 "[ . 1 . 2]" 1
77 1 14 LEU H 1 14 LEU QD 0.000 . 3.500 3.430 2.801 3.541 0.041 14 0 "[ . 1 . 2]" 1
78 1 7 ALA HA 1 14 LEU QD 0.000 . 2.700 1.986 1.697 2.637 . 0 0 "[ . 1 . 2]" 1
79 1 8 ARG H 1 14 LEU QD 0.000 . 5.000 3.696 3.335 4.423 . 0 0 "[ . 1 . 2]" 1
80 1 14 LEU QD 1 88 TRP H 0.000 . 5.000 4.686 3.462 4.890 . 0 0 "[ . 1 . 2]" 1
81 1 14 LEU QD 1 18 GLU H 0.000 . 5.000 4.201 4.042 4.504 . 0 0 "[ . 1 . 2]" 1
82 1 14 LEU QD 1 19 ALA H 0.000 . 3.500 2.831 2.539 3.166 . 0 0 "[ . 1 . 2]" 1
83 1 13 LYS H 1 14 LEU QD 0.000 . 5.000 3.950 3.228 4.126 . 0 0 "[ . 1 . 2]" 1
84 1 7 ALA H 1 14 LEU QD 0.000 . 3.500 2.734 2.408 2.992 . 0 0 "[ . 1 . 2]" 1
85 1 14 LEU QD 1 89 ASP HA 0.000 . 2.700 2.635 1.929 2.713 0.013 12 0 "[ . 1 . 2]" 1
86 1 14 LEU QD 1 90 ALA MB 0.000 . 5.000 2.103 1.573 2.368 . 0 0 "[ . 1 . 2]" 1
87 1 14 LEU QD 1 90 ALA H 0.000 . 5.000 3.192 2.794 3.383 . 0 0 "[ . 1 . 2]" 1
88 1 13 LYS H 1 14 LEU HG 0.000 . 5.000 3.990 2.826 4.221 . 0 0 "[ . 1 . 2]" 1
89 1 14 LEU HA 1 14 LEU HG 0.000 . 3.500 2.678 2.511 3.586 0.086 11 0 "[ . 1 . 2]" 1
90 1 14 LEU H 1 14 LEU HG 0.000 . 3.500 3.232 1.874 3.474 . 0 0 "[ . 1 . 2]" 1
91 1 14 LEU HG 1 89 ASP HA 0.000 . 5.000 4.642 2.891 4.963 . 0 0 "[ . 1 . 2]" 1
92 1 13 LYS H 1 14 LEU H 0.000 . 3.500 1.646 1.495 1.863 . 0 0 "[ . 1 . 2]" 1
93 1 14 LEU H 1 88 TRP H 0.000 . 3.500 2.551 2.374 2.744 . 0 0 "[ . 1 . 2]" 1
94 1 15 THR HA 1 16 TYR H 0.000 . 5.000 2.345 2.267 2.773 . 0 0 "[ . 1 . 2]" 1
95 1 15 THR HA 1 17 ALA H 0.000 . 5.000 4.259 4.129 4.649 . 0 0 "[ . 1 . 2]" 1
96 1 15 THR HA 1 51 TRP HE1 0.000 . 3.500 2.144 1.877 2.339 . 0 0 "[ . 1 . 2]" 1
97 1 15 THR HA 1 86 GLU H 0.000 . 5.000 4.309 4.138 4.480 . 0 0 "[ . 1 . 2]" 1
98 1 15 THR HA 1 88 TRP H 0.000 . 5.000 3.992 3.699 4.205 . 0 0 "[ . 1 . 2]" 1
99 1 15 THR HB 1 16 TYR H 0.000 . 5.000 2.774 2.044 3.016 . 0 0 "[ . 1 . 2]" 1
100 1 15 THR HB 1 17 ALA H 0.000 . 3.500 3.365 3.065 3.514 0.014 12 0 "[ . 1 . 2]" 1
101 1 15 THR HA 1 15 THR MG 0.000 . 3.500 2.565 2.412 2.667 . 0 0 "[ . 1 . 2]" 1
102 1 15 THR H 1 15 THR MG 0.000 . 2.700 2.349 2.033 2.573 . 0 0 "[ . 1 . 2]" 1
103 1 15 THR MG 1 51 TRP HE1 0.000 . 5.000 4.147 3.919 4.352 . 0 0 "[ . 1 . 2]" 1
104 1 15 THR MG 1 85 SER HA 0.000 . 3.500 2.643 2.214 3.004 . 0 0 "[ . 1 . 2]" 1
105 1 14 LEU QD 1 15 THR H 0.000 . 3.500 2.965 2.708 3.335 . 0 0 "[ . 1 . 2]" 1
106 1 15 THR H 1 19 ALA H 0.000 . 5.000 3.108 2.971 3.205 . 0 0 "[ . 1 . 2]" 1
107 1 16 TYR HA 1 16 TYR QD 0.000 . 2.700 2.665 2.575 2.723 0.023 18 0 "[ . 1 . 2]" 1
108 1 16 TYR HA 1 17 ALA H 0.000 . 5.000 3.532 3.519 3.545 . 0 0 "[ . 1 . 2]" 1
109 1 16 TYR HA 1 19 ALA H 0.000 . 4.000 3.833 3.579 3.988 . 0 0 "[ . 1 . 2]" 1
110 1 16 TYR HA 1 20 LYS H 0.000 . 5.000 3.981 3.689 4.211 . 0 0 "[ . 1 . 2]" 1
111 1 16 TYR HA 1 51 TRP HD1 0.000 . 4.000 3.912 3.763 4.007 0.007 9 0 "[ . 1 . 2]" 1
112 1 16 TYR HA 1 51 TRP HE1 0.000 . 5.000 4.287 4.137 4.476 . 0 0 "[ . 1 . 2]" 1
113 1 16 TYR HB2 1 16 TYR QD 0.000 . 2.700 2.526 2.497 2.569 . 0 0 "[ . 1 . 2]" 1
114 1 16 TYR HB2 1 17 ALA H 0.000 . 5.000 3.957 3.899 3.994 . 0 0 "[ . 1 . 2]" 1
115 1 16 TYR HB3 1 16 TYR QD 0.000 . 2.700 2.306 2.289 2.318 . 0 0 "[ . 1 . 2]" 1
116 1 16 TYR HB3 1 17 ALA H 0.000 . 2.700 2.646 2.561 2.706 0.006 18 0 "[ . 1 . 2]" 1
117 1 16 TYR QD 1 17 ALA H 0.000 . 3.500 3.481 3.422 3.518 0.018 7 0 "[ . 1 . 2]" 1
118 1 16 TYR QD 1 51 TRP HE3 0.000 . 2.700 2.448 2.209 2.570 . 0 0 "[ . 1 . 2]" 1
119 1 15 THR MG 1 16 TYR H 0.000 . 5.000 4.047 3.679 4.203 . 0 0 "[ . 1 . 2]" 1
120 1 17 ALA HA 1 18 GLU H 0.000 . 5.000 3.556 3.538 3.565 . 0 0 "[ . 1 . 2]" 1
121 1 17 ALA HA 1 19 ALA H 0.000 . 5.000 4.745 4.497 4.993 . 0 0 "[ . 1 . 2]" 1
122 1 16 TYR QD 1 17 ALA MB 0.000 . 3.500 3.525 3.508 3.544 0.044 17 0 "[ . 1 . 2]" 1
123 1 16 TYR H 1 17 ALA MB 0.000 . 5.000 4.641 4.241 4.718 . 0 0 "[ . 1 . 2]" 1
124 1 17 ALA H 1 17 ALA MB 0.000 . 2.700 2.246 2.240 2.254 . 0 0 "[ . 1 . 2]" 1
125 1 17 ALA MB 1 18 GLU H 0.000 . 2.700 2.534 2.461 2.614 . 0 0 "[ . 1 . 2]" 1
126 1 16 TYR H 1 17 ALA H 0.000 . 5.000 2.967 2.535 3.052 . 0 0 "[ . 1 . 2]" 1
127 1 14 LEU QD 1 18 GLU HA 0.000 . 5.000 3.878 3.642 4.817 . 0 0 "[ . 1 . 2]" 1
128 1 18 GLU HA 1 18 GLU HG2 0.000 . 3.500 2.557 2.475 2.670 . 0 0 "[ . 1 . 2]" 1
129 1 18 GLU HA 1 18 GLU HG3 0.000 . 3.500 3.092 3.029 3.472 . 0 0 "[ . 1 . 2]" 1
130 1 18 GLU H 1 18 GLU HA 0.000 . 3.000 2.846 2.829 2.860 . 0 0 "[ . 1 . 2]" 1
131 1 18 GLU HA 1 21 ALA H 0.000 . 5.000 3.383 3.203 3.607 . 0 0 "[ . 1 . 2]" 1
132 1 18 GLU HA 1 22 VAL H 0.000 . 5.000 4.250 4.010 4.445 . 0 0 "[ . 1 . 2]" 1
133 1 15 THR H 1 18 GLU HB3 0.000 . 3.500 3.206 2.885 3.461 . 0 0 "[ . 1 . 2]" 1
134 1 18 GLU H 1 18 GLU HB3 0.000 . 3.500 3.570 3.553 3.585 0.085 15 0 "[ . 1 . 2]" 1
135 1 18 GLU HB3 1 19 ALA H 0.000 . 3.500 3.495 3.434 3.543 0.043 12 0 "[ . 1 . 2]" 1
136 1 14 LEU QD 1 18 GLU HB2 0.000 . 3.500 2.343 1.809 3.257 . 0 0 "[ . 1 . 2]" 1
137 1 15 THR H 1 18 GLU HB2 0.000 . 2.700 1.645 1.324 1.879 . 0 0 "[ . 1 . 2]" 1
138 1 18 GLU H 1 18 GLU HB2 0.000 . 2.700 2.455 2.379 2.716 0.016 2 0 "[ . 1 . 2]" 1
139 1 18 GLU HB2 1 19 ALA H 0.000 . 2.700 2.415 2.158 2.547 . 0 0 "[ . 1 . 2]" 1
140 1 18 GLU HB2 1 20 LYS H 0.000 . 5.000 4.957 4.698 5.021 0.021 7 0 "[ . 1 . 2]" 1
141 1 15 THR MG 1 18 GLU HG3 0.000 . 5.000 2.843 2.153 3.379 . 0 0 "[ . 1 . 2]" 1
142 1 18 GLU H 1 18 GLU HG3 0.000 . 2.700 2.265 1.960 2.385 . 0 0 "[ . 1 . 2]" 1
143 1 15 THR H 1 18 GLU H 0.000 . 5.000 3.090 2.891 3.223 . 0 0 "[ . 1 . 2]" 1
144 1 17 ALA H 1 18 GLU H 0.000 . 3.500 2.601 2.517 2.663 . 0 0 "[ . 1 . 2]" 1
145 1 18 GLU H 1 18 GLU HG2 0.000 . 3.500 3.427 2.721 3.524 0.024 16 0 "[ . 1 . 2]" 1
146 1 14 LEU QD 1 19 ALA HA 0.000 . 3.500 2.138 1.869 2.426 . 0 0 "[ . 1 . 2]" 1
147 1 15 THR H 1 19 ALA HA 0.000 . 5.000 5.012 4.956 5.036 0.036 11 0 "[ . 1 . 2]" 1
148 1 19 ALA HA 1 20 LYS H 0.000 . 5.000 3.540 3.520 3.561 . 0 0 "[ . 1 . 2]" 1
149 1 19 ALA HA 1 22 VAL HB 0.000 . 3.500 3.203 2.906 3.510 0.010 20 0 "[ . 1 . 2]" 1
150 1 19 ALA HA 1 22 VAL H 0.000 . 4.000 3.801 3.583 4.009 0.009 18 0 "[ . 1 . 2]" 1
151 1 19 ALA HA 1 51 TRP HD1 0.000 . 5.000 4.960 4.551 5.017 0.017 7 0 "[ . 1 . 2]" 1
152 1 16 TYR HA 1 19 ALA MB 0.000 . 3.500 2.594 2.459 2.669 . 0 0 "[ . 1 . 2]" 1
153 1 18 GLU H 1 19 ALA MB 0.000 . 4.000 4.038 4.018 4.063 0.063 12 0 "[ . 1 . 2]" 1
154 1 19 ALA H 1 19 ALA MB 0.000 . 2.700 2.042 2.012 2.072 . 0 0 "[ . 1 . 2]" 1
155 1 19 ALA MB 1 23 CYS H 0.000 . 5.000 4.786 4.482 4.905 . 0 0 "[ . 1 . 2]" 1
156 1 19 ALA MB 1 51 TRP HD1 0.000 . 2.700 2.610 2.477 2.684 . 0 0 "[ . 1 . 2]" 1
157 1 19 ALA MB 1 51 TRP HE1 0.000 . 5.000 4.113 3.888 4.271 . 0 0 "[ . 1 . 2]" 1
158 1 19 ALA MB 1 51 TRP H 0.000 . 5.000 3.956 3.706 4.103 . 0 0 "[ . 1 . 2]" 1
159 1 19 ALA MB 1 90 ALA MB 0.000 . 3.500 1.513 1.460 1.597 . 0 0 "[ . 1 . 2]" 1
160 1 17 ALA H 1 19 ALA H 0.000 . 5.000 4.108 3.995 4.280 . 0 0 "[ . 1 . 2]" 1
161 1 18 GLU HA 1 19 ALA H 0.000 . 5.000 3.534 3.513 3.551 . 0 0 "[ . 1 . 2]" 1
162 1 18 GLU H 1 19 ALA H 0.000 . 2.700 2.564 2.506 2.672 . 0 0 "[ . 1 . 2]" 1
163 1 19 ALA H 1 20 LYS H 0.000 . 3.000 2.816 2.701 2.978 . 0 0 "[ . 1 . 2]" 1
164 1 19 ALA H 1 21 ALA H 0.000 . 5.000 4.239 3.855 4.566 . 0 0 "[ . 1 . 2]" 1
165 1 2 VAL HA 1 3 TYR H 0.000 . 2.700 2.225 2.177 2.290 . 0 0 "[ . 1 . 2]" 1
166 1 2 VAL HA 1 93 TYR QD 0.000 . 3.500 3.262 2.601 3.518 0.018 12 0 "[ . 1 . 2]" 1
167 1 2 VAL HA 1 94 ASN H 0.000 . 4.000 3.282 2.824 3.938 . 0 0 "[ . 1 . 2]" 1
168 1 2 VAL H 1 2 VAL HB 0.000 . 3.000 2.991 2.905 3.048 0.048 4 0 "[ . 1 . 2]" 1
169 1 2 VAL HB 1 3 TYR H 0.000 . 5.000 3.813 3.685 3.950 . 0 0 "[ . 1 . 2]" 1
170 1 2 VAL H 1 2 VAL QG 0.000 . 2.700 1.717 1.499 2.235 . 0 0 "[ . 1 . 2]" 1
171 1 2 VAL QG 1 3 TYR H 0.000 . 2.700 2.108 1.802 2.612 . 0 0 "[ . 1 . 2]" 1
172 1 2 VAL QG 1 39 ALA MB 0.000 . 3.500 1.805 1.658 2.017 . 0 0 "[ . 1 . 2]" 1
173 1 2 VAL QG 1 39 ALA H 0.000 . 5.000 3.954 3.446 4.239 . 0 0 "[ . 1 . 2]" 1
174 1 2 VAL QG 1 44 PHE QD 0.000 . 3.500 2.852 2.644 3.153 . 0 0 "[ . 1 . 2]" 1
175 1 2 VAL QG 1 44 PHE QE 0.000 . 2.700 2.033 1.568 2.336 . 0 0 "[ . 1 . 2]" 1
176 1 2 VAL QG 1 93 TYR QD 0.000 . 2.700 2.337 1.636 2.437 . 0 0 "[ . 1 . 2]" 1
177 1 2 VAL QG 1 93 TYR QE 0.000 . 2.700 2.589 2.026 2.696 . 0 0 "[ . 1 . 2]" 1
178 1 2 VAL QG 1 31 ALA MB 0.000 . 3.500 1.575 1.373 1.766 . 0 0 "[ . 1 . 2]" 1
179 1 2 VAL QG 1 91 TYR QD 0.000 . 3.500 3.391 3.202 3.529 0.029 14 0 "[ . 1 . 2]" 1
180 1 2 VAL QG 1 92 CYS H 0.000 . 5.000 4.024 3.554 4.653 . 0 0 "[ . 1 . 2]" 1
181 1 2 VAL H 1 3 TYR H 0.000 . 5.000 4.556 4.458 4.610 . 0 0 "[ . 1 . 2]" 1
182 1 20 LYS H 1 20 LYS HA 0.000 . 3.000 2.840 2.819 2.869 . 0 0 "[ . 1 . 2]" 1
183 1 20 LYS HA 1 21 ALA H 0.000 . 5.000 3.526 3.459 3.566 . 0 0 "[ . 1 . 2]" 1
184 1 20 LYS HA 1 23 CYS H 0.000 . 5.000 3.515 3.292 3.738 . 0 0 "[ . 1 . 2]" 1
185 1 20 LYS HA 1 24 GLU H 0.000 . 3.500 3.529 3.456 3.564 0.064 19 0 "[ . 1 . 2]" 1
186 1 20 LYS HA 1 30 LEU H 0.000 . 5.000 3.941 3.416 4.416 . 0 0 "[ . 1 . 2]" 1
187 1 17 ALA HA 1 20 LYS HB3 0.000 . 5.000 3.349 3.069 3.512 . 0 0 "[ . 1 . 2]" 1
188 1 20 LYS H 1 20 LYS HB3 0.000 . 2.700 2.729 2.708 2.755 0.055 7 0 "[ . 1 . 2]" 1
189 1 20 LYS HB3 1 21 ALA H 0.000 . 3.500 2.559 2.195 2.953 . 0 0 "[ . 1 . 2]" 1
190 1 17 ALA HA 1 20 LYS HB2 0.000 . 3.500 3.697 3.504 4.115 0.615 15 2 "[ . 1 -+ 2]" 1
191 1 20 LYS H 1 20 LYS HB2 0.000 . 2.700 2.328 2.289 2.362 . 0 0 "[ . 1 . 2]" 1
192 1 20 LYS HG3 1 30 LEU H 0.000 . 5.000 3.524 2.919 4.345 . 0 0 "[ . 1 . 2]" 1
193 1 20 LYS HG2 1 30 LEU H 0.000 . 5.000 4.186 3.057 5.000 . 0 0 "[ . 1 . 2]" 1
194 1 19 ALA MB 1 20 LYS H 0.000 . 3.500 2.630 2.502 2.737 . 0 0 "[ . 1 . 2]" 1
195 1 21 ALA HA 1 22 VAL H 0.000 . 3.500 3.528 3.510 3.548 0.048 18 0 "[ . 1 . 2]" 1
196 1 21 ALA HA 1 23 CYS H 0.000 . 5.000 4.867 4.666 5.023 0.023 11 0 "[ . 1 . 2]" 1
197 1 21 ALA HA 1 24 GLU H 0.000 . 4.000 3.877 3.802 3.953 . 0 0 "[ . 1 . 2]" 1
198 1 21 ALA HA 1 25 PHE H 0.000 . 5.000 4.101 3.907 4.364 . 0 0 "[ . 1 . 2]" 1
199 1 18 GLU HA 1 21 ALA MB 0.000 . 3.500 2.440 2.323 2.665 . 0 0 "[ . 1 . 2]" 1
200 1 21 ALA H 1 21 ALA MB 0.000 . 2.700 2.230 2.210 2.255 . 0 0 "[ . 1 . 2]" 1
201 1 21 ALA MB 1 22 VAL H 0.000 . 2.700 2.591 2.396 2.705 0.005 12 0 "[ . 1 . 2]" 1
202 1 21 ALA MB 1 23 CYS H 0.000 . 5.000 4.742 4.601 4.873 . 0 0 "[ . 1 . 2]" 1
203 1 21 ALA MB 1 25 PHE QD 0.000 . 5.000 2.867 2.737 2.980 . 0 0 "[ . 1 . 2]" 1
204 1 21 ALA MB 1 25 PHE QE 0.000 . 3.500 3.519 3.501 3.537 0.037 11 0 "[ . 1 . 2]" 1
205 1 20 LYS H 1 21 ALA H 0.000 . 3.500 2.608 2.455 2.783 . 0 0 "[ . 1 . 2]" 1
206 1 21 ALA H 1 22 VAL H 0.000 . 3.500 2.772 2.578 2.975 . 0 0 "[ . 1 . 2]" 1
207 1 21 ALA H 1 23 CYS H 0.000 . 5.000 4.456 4.243 4.699 . 0 0 "[ . 1 . 2]" 1
208 1 21 ALA MB 1 22 VAL HA 0.000 . 5.000 3.841 3.806 3.867 . 0 0 "[ . 1 . 2]" 1
209 1 22 VAL H 1 22 VAL HA 0.000 . 3.000 2.839 2.815 2.868 . 0 0 "[ . 1 . 2]" 1
210 1 22 VAL HA 1 23 CYS H 0.000 . 3.500 3.555 3.545 3.564 0.064 12 0 "[ . 1 . 2]" 1
211 1 22 VAL HA 1 25 PHE QD 0.000 . 3.500 3.366 3.135 3.483 . 0 0 "[ . 1 . 2]" 1
212 1 22 VAL HA 1 25 PHE QE 0.000 . 5.000 4.972 4.823 5.031 0.031 12 0 "[ . 1 . 2]" 1
213 1 22 VAL HA 1 25 PHE H 0.000 . 5.000 3.476 3.261 3.642 . 0 0 "[ . 1 . 2]" 1
214 1 22 VAL HA 1 26 GLU H 0.000 . 5.000 5.018 5.003 5.056 0.056 7 0 "[ . 1 . 2]" 1
215 1 22 VAL H 1 22 VAL HB 0.000 . 2.700 2.277 2.247 2.314 . 0 0 "[ . 1 . 2]" 1
216 1 22 VAL HB 1 23 CYS H 0.000 . 2.700 2.538 2.424 2.650 . 0 0 "[ . 1 . 2]" 1
217 1 19 ALA HA 1 22 VAL MG2 0.000 . 5.000 3.780 3.373 4.344 . 0 0 "[ . 1 . 2]" 1
218 1 22 VAL H 1 22 VAL MG2 0.000 . 3.000 2.665 2.549 2.737 . 0 0 "[ . 1 . 2]" 1
219 1 22 VAL MG2 1 23 CYS H 0.000 . 4.000 3.969 3.906 4.027 0.027 2 0 "[ . 1 . 2]" 1
220 1 22 VAL MG2 1 25 PHE QD 0.000 . 5.000 4.287 4.079 4.454 . 0 0 "[ . 1 . 2]" 1
221 1 22 VAL MG1 1 23 CYS H 0.000 . 2.700 2.710 2.705 2.716 0.016 16 0 "[ . 1 . 2]" 1
222 1 22 VAL MG1 1 25 PHE QD 0.000 . 5.000 4.894 4.754 4.961 . 0 0 "[ . 1 . 2]" 1
223 1 22 VAL MG1 1 25 PHE H 0.000 . 5.000 4.374 4.239 4.480 . 0 0 "[ . 1 . 2]" 1
224 1 5 ARG HE 1 22 VAL MG1 0.000 . 5.000 4.280 3.161 4.947 . 0 0 "[ . 1 . 2]" 1
225 1 23 CYS H 1 23 CYS HB2 0.000 . 2.700 2.342 2.131 2.447 . 0 0 "[ . 1 . 2]" 1
226 1 23 CYS HB2 1 24 GLU H 0.000 . 5.000 2.810 2.376 3.568 . 0 0 "[ . 1 . 2]" 1
227 1 23 CYS HB2 1 29 HIS H 0.000 . 5.000 5.004 4.878 5.050 0.050 12 0 "[ . 1 . 2]" 1
228 1 23 CYS HB2 1 30 LEU H 0.000 . 5.000 3.696 3.061 4.761 . 0 0 "[ . 1 . 2]" 1
229 1 23 CYS HB2 1 93 TYR H 0.000 . 5.000 4.688 4.265 5.016 0.016 16 0 "[ . 1 . 2]" 1
230 1 23 CYS H 1 23 CYS HB3 0.000 . 3.500 3.426 2.737 3.574 0.074 11 0 "[ . 1 . 2]" 1
231 1 23 CYS HB3 1 24 GLU H 0.000 . 5.000 3.280 2.280 3.854 . 0 0 "[ . 1 . 2]" 1
232 1 23 CYS HB3 1 29 HIS H 0.000 . 5.000 3.633 3.371 4.244 . 0 0 "[ . 1 . 2]" 1
233 1 23 CYS HB3 1 30 LEU H 0.000 . 5.000 3.543 3.014 4.229 . 0 0 "[ . 1 . 2]" 1
234 1 23 CYS HB3 1 92 CYS HA 0.000 . 5.000 3.039 2.288 4.169 . 0 0 "[ . 1 . 2]" 1
235 1 23 CYS HB3 1 93 TYR H 0.000 . 5.000 3.423 2.665 4.657 . 0 0 "[ . 1 . 2]" 1
236 1 22 VAL H 1 23 CYS H 0.000 . 2.700 2.692 2.610 2.721 0.021 7 0 "[ . 1 . 2]" 1
237 1 24 GLU H 1 24 GLU HA 0.000 . 3.000 2.870 2.815 2.939 . 0 0 "[ . 1 . 2]" 1
238 1 24 GLU HA 1 28 GLY H 0.000 . 2.700 2.360 2.052 2.705 0.005 20 0 "[ . 1 . 2]" 1
239 1 21 ALA HA 1 24 GLU QB 0.000 . 3.500 2.977 2.751 3.122 . 0 0 "[ . 1 . 2]" 1
240 1 24 GLU H 1 24 GLU QB 0.000 . 2.700 2.272 2.103 2.387 . 0 0 "[ . 1 . 2]" 1
241 1 24 GLU QB 1 25 PHE H 0.000 . 3.500 3.179 3.004 3.414 . 0 0 "[ . 1 . 2]" 1
242 1 24 GLU HA 1 24 GLU HG3 0.000 . 3.500 2.368 2.101 2.657 . 0 0 "[ . 1 . 2]" 1
243 1 24 GLU H 1 24 GLU HG3 0.000 . 5.000 4.416 4.092 4.559 . 0 0 "[ . 1 . 2]" 1
244 1 24 GLU HG3 1 25 PHE H 0.000 . 5.000 4.983 4.903 5.014 0.014 9 0 "[ . 1 . 2]" 1
245 1 24 GLU HG3 1 28 GLY H 0.000 . 5.000 3.979 3.480 4.665 . 0 0 "[ . 1 . 2]" 1
246 1 24 GLU H 1 24 GLU HG2 0.000 . 5.000 4.538 4.419 4.652 . 0 0 "[ . 1 . 2]" 1
247 1 24 GLU HG2 1 25 PHE H 0.000 . 5.000 4.608 4.095 5.006 0.006 10 0 "[ . 1 . 2]" 1
248 1 24 GLU HG2 1 28 GLY H 0.000 . 5.000 4.800 4.236 5.002 0.002 2 0 "[ . 1 . 2]" 1
249 1 23 CYS H 1 24 GLU H 0.000 . 2.700 2.686 2.584 2.730 0.030 9 0 "[ . 1 . 2]" 1
250 1 24 GLU H 1 25 PHE HB2 0.000 . 5.000 4.203 3.838 4.411 . 0 0 "[ . 1 . 2]" 1
251 1 24 GLU H 1 26 GLU H 0.000 . 5.000 4.682 4.369 4.880 . 0 0 "[ . 1 . 2]" 1
252 1 25 PHE HA 1 25 PHE QD 0.000 . 2.700 2.708 2.700 2.721 0.021 11 0 "[ . 1 . 2]" 1
253 1 25 PHE HA 1 26 GLU H 0.000 . 3.500 3.540 3.522 3.549 0.049 18 0 "[ . 1 . 2]" 1
254 1 22 VAL HA 1 25 PHE HB3 0.000 . 3.500 3.452 3.329 3.527 0.027 12 0 "[ . 1 . 2]" 1
255 1 25 PHE HB3 1 25 PHE QD 0.000 . 2.700 2.296 2.288 2.312 . 0 0 "[ . 1 . 2]" 1
256 1 25 PHE H 1 25 PHE HB3 0.000 . 3.500 3.061 2.958 3.141 . 0 0 "[ . 1 . 2]" 1
257 1 22 VAL HA 1 25 PHE HB2 0.000 . 5.000 2.135 1.972 2.250 . 0 0 "[ . 1 . 2]" 1
258 1 25 PHE HB2 1 25 PHE QD 0.000 . 2.700 2.504 2.482 2.519 . 0 0 "[ . 1 . 2]" 1
259 1 25 PHE H 1 25 PHE HB2 0.000 . 3.500 2.104 2.082 2.157 . 0 0 "[ . 1 . 2]" 1
260 1 25 PHE HB2 1 26 GLU H 0.000 . 5.000 3.333 3.251 3.465 . 0 0 "[ . 1 . 2]" 1
261 1 25 PHE H 1 25 PHE QD 0.000 . 5.000 3.633 3.493 3.815 . 0 0 "[ . 1 . 2]" 1
262 1 23 CYS H 1 25 PHE H 0.000 . 5.000 3.704 3.613 3.812 . 0 0 "[ . 1 . 2]" 1
263 1 24 GLU H 1 25 PHE H 0.000 . 3.500 2.433 2.133 2.611 . 0 0 "[ . 1 . 2]" 1
264 1 25 PHE H 1 26 GLU H 0.000 . 3.500 2.794 2.619 2.880 . 0 0 "[ . 1 . 2]" 1
265 1 25 PHE H 1 27 GLY H 0.000 . 5.000 4.827 4.639 5.028 0.028 18 0 "[ . 1 . 2]" 1
266 1 26 GLU HA 1 27 GLY H 0.000 . 3.500 2.573 2.497 2.647 . 0 0 "[ . 1 . 2]" 1
267 1 26 GLU H 1 26 GLU HB2 0.000 . 3.500 2.679 2.581 2.989 . 0 0 "[ . 1 . 2]" 1
268 1 26 GLU HB2 1 27 GLY H 0.000 . 5.000 4.342 4.309 4.381 . 0 0 "[ . 1 . 2]" 1
269 1 26 GLU HB2 1 28 GLY H 0.000 . 5.000 4.186 3.770 5.024 0.024 7 0 "[ . 1 . 2]" 1
270 1 26 GLU HA 1 26 GLU HB3 0.000 . 2.700 2.382 2.271 2.411 . 0 0 "[ . 1 . 2]" 1
271 1 26 GLU HB3 1 27 GLY H 0.000 . 5.000 4.410 4.362 4.464 . 0 0 "[ . 1 . 2]" 1
272 1 25 PHE QD 1 26 GLU HG2 0.000 . 3.500 3.356 2.513 3.517 0.017 18 0 "[ . 1 . 2]" 1
273 1 26 GLU HA 1 26 GLU HG2 0.000 . 3.500 2.651 2.593 2.892 . 0 0 "[ . 1 . 2]" 1
274 1 26 GLU H 1 26 GLU HG2 0.000 . 3.500 3.454 2.992 3.529 0.029 20 0 "[ . 1 . 2]" 1
275 1 26 GLU HG2 1 27 GLY H 0.000 . 5.000 5.034 5.003 5.043 0.043 19 0 "[ . 1 . 2]" 1
276 1 25 PHE QD 1 26 GLU HG3 0.000 . 3.500 3.515 3.502 3.537 0.037 2 0 "[ . 1 . 2]" 1
277 1 25 PHE H 1 26 GLU HG3 0.000 . 5.000 4.544 4.208 4.713 . 0 0 "[ . 1 . 2]" 1
278 1 26 GLU HA 1 26 GLU HG3 0.000 . 3.500 3.273 3.166 3.534 0.034 7 0 "[ . 1 . 2]" 1
279 1 26 GLU H 1 26 GLU HG3 0.000 . 3.500 2.382 2.153 2.466 . 0 0 "[ . 1 . 2]" 1
280 1 26 GLU HG3 1 27 GLY H 0.000 . 5.000 5.030 5.020 5.040 0.040 4 0 "[ . 1 . 2]" 1
281 1 26 GLU H 1 28 GLY H 0.000 . 5.000 3.244 2.964 3.597 . 0 0 "[ . 1 . 2]" 1
282 1 27 GLY H 1 27 GLY HA3 0.000 . 2.700 2.297 2.292 2.303 . 0 0 "[ . 1 . 2]" 1
283 1 27 GLY H 1 27 GLY HA2 0.000 . 2.700 2.749 2.732 2.760 0.060 12 0 "[ . 1 . 2]" 1
284 1 27 GLY HA2 1 28 GLY H 0.000 . 3.500 3.513 3.438 3.572 0.072 7 0 "[ . 1 . 2]" 1
285 1 26 GLU H 1 27 GLY H 0.000 . 3.500 3.317 3.199 3.486 . 0 0 "[ . 1 . 2]" 1
286 1 28 GLY HA3 1 29 HIS H 0.000 . 2.700 2.581 2.402 2.812 0.112 18 0 "[ . 1 . 2]" 1
287 1 28 GLY HA2 1 29 HIS H 0.000 . 2.700 2.571 2.314 2.736 0.036 10 0 "[ . 1 . 2]" 1
288 1 28 GLY HA2 1 94 ASN HD22 0.000 . 5.000 2.790 2.252 3.931 . 0 0 "[ . 1 . 2]" 1
289 1 27 GLY H 1 28 GLY H 0.000 . 3.500 2.850 2.795 2.971 . 0 0 "[ . 1 . 2]" 1
290 1 28 GLY H 1 29 HIS H 0.000 . 5.000 4.437 4.239 4.538 . 0 0 "[ . 1 . 2]" 1
291 1 24 GLU H 1 29 HIS HA 0.000 . 5.000 4.360 3.575 4.925 . 0 0 "[ . 1 . 2]" 1
292 1 29 HIS HA 1 30 LEU H 0.000 . 2.700 2.235 2.168 2.600 . 0 0 "[ . 1 . 2]" 1
293 1 29 HIS HB3 1 29 HIS HD2 0.000 . 3.500 3.607 2.820 3.891 0.391 14 0 "[ . 1 . 2]" 1
294 1 29 HIS H 1 29 HIS HB3 0.000 . 3.500 3.706 3.167 3.920 0.420 8 0 "[ . 1 . 2]" 1
295 1 29 HIS HB3 1 30 LEU H 0.000 . 3.500 3.541 3.439 3.673 0.173 18 0 "[ . 1 . 2]" 1
296 1 29 HIS HB2 1 29 HIS HD2 0.000 . 4.000 2.841 2.693 3.911 . 0 0 "[ . 1 . 2]" 1
297 1 29 HIS HB2 1 30 LEU H 0.000 . 3.500 3.245 2.230 3.502 0.002 14 0 "[ . 1 . 2]" 1
298 1 29 HIS H 1 29 HIS HD2 0.000 . 5.000 3.920 3.345 4.406 . 0 0 "[ . 1 . 2]" 1
299 1 29 HIS H 1 30 LEU H 0.000 . 5.000 4.305 4.187 4.408 . 0 0 "[ . 1 . 2]" 1
300 1 29 HIS H 1 93 TYR H 0.000 . 3.500 2.901 2.524 3.272 . 0 0 "[ . 1 . 2]" 1
301 1 3 TYR HA 1 3 TYR QD 0.000 . 4.000 3.669 3.350 3.722 . 0 0 "[ . 1 . 2]" 1
302 1 3 TYR HA 1 4 HIS H 0.000 . 2.700 2.525 2.186 2.636 . 0 0 "[ . 1 . 2]" 1
303 1 3 TYR HA 1 44 PHE QE 0.000 . 2.700 2.710 2.574 2.734 0.034 2 0 "[ . 1 . 2]" 1
304 1 3 TYR HA 1 91 TYR QD 0.000 . 5.000 4.243 3.546 4.969 . 0 0 "[ . 1 . 2]" 1
305 1 3 TYR HB3 1 3 TYR QD 0.000 . 2.700 2.503 2.360 2.647 . 0 0 "[ . 1 . 2]" 1
306 1 3 TYR HB3 1 4 HIS H 0.000 . 3.500 3.513 3.361 3.586 0.086 17 0 "[ . 1 . 2]" 1
307 1 3 TYR HB2 1 3 TYR QD 0.000 . 2.700 2.325 2.267 2.436 . 0 0 "[ . 1 . 2]" 1
308 1 3 TYR HB2 1 4 HIS H 0.000 . 3.500 2.190 1.979 3.509 0.009 1 0 "[ . 1 . 2]" 1
309 1 2 VAL H 1 3 TYR QD 0.000 . 5.000 4.485 3.838 4.768 . 0 0 "[ . 1 . 2]" 1
310 1 3 TYR H 1 3 TYR QD 0.000 . 3.500 2.716 2.374 3.203 . 0 0 "[ . 1 . 2]" 1
311 1 3 TYR QD 1 4 HIS H 0.000 . 5.000 3.335 2.856 4.819 . 0 0 "[ . 1 . 2]" 1
312 1 3 TYR QD 1 5 ARG HE 0.000 . 5.000 4.098 2.808 5.002 0.002 15 0 "[ . 1 . 2]" 1
313 1 3 TYR QD 1 92 CYS H 0.000 . 5.000 4.245 3.914 4.471 . 0 0 "[ . 1 . 2]" 1
314 1 3 TYR QE 1 5 ARG HE 0.000 . 5.000 2.790 1.667 5.009 0.009 1 0 "[ . 1 . 2]" 1
315 1 3 TYR QE 1 94 ASN HD22 0.000 . 5.000 4.729 3.964 5.013 0.013 6 0 "[ . 1 . 2]" 1
316 1 3 TYR QE 1 94 ASN HD21 0.000 . 5.000 4.531 3.567 5.019 0.019 19 0 "[ . 1 . 2]" 1
317 1 3 TYR QE 1 94 ASN H 0.000 . 5.000 3.318 2.157 4.171 . 0 0 "[ . 1 . 2]" 1
318 1 3 TYR H 1 4 HIS H 0.000 . 5.000 4.376 4.267 4.415 . 0 0 "[ . 1 . 2]" 1
319 1 3 TYR H 1 94 ASN H 0.000 . 5.000 4.848 4.248 5.015 0.015 15 0 "[ . 1 . 2]" 1
320 1 30 LEU HA 1 31 ALA H 0.000 . 2.700 2.149 2.095 2.264 . 0 0 "[ . 1 . 2]" 1
321 1 30 LEU HA 1 92 CYS HA 0.000 . 3.500 2.599 2.106 3.087 . 0 0 "[ . 1 . 2]" 1
322 1 30 LEU H 1 30 LEU QB 0.000 . 3.500 2.090 1.999 2.302 . 0 0 "[ . 1 . 2]" 1
323 1 30 LEU QB 1 31 ALA H 0.000 . 3.500 3.375 3.115 3.470 . 0 0 "[ . 1 . 2]" 1
324 1 19 ALA MB 1 30 LEU QD 0.000 . 5.000 2.709 2.491 3.001 . 0 0 "[ . 1 . 2]" 1
325 1 21 ALA H 1 30 LEU QD 0.000 . 5.000 5.015 4.915 5.045 0.045 5 0 "[ . 1 . 2]" 1
326 1 30 LEU H 1 30 LEU QD 0.000 . 3.500 3.418 3.247 3.578 0.078 16 0 "[ . 1 . 2]" 1
327 1 30 LEU QD 1 53 ALA H 0.000 . 3.500 3.418 3.087 3.541 0.041 6 0 "[ . 1 . 2]" 1
328 1 16 TYR QD 1 30 LEU QD 0.000 . 2.700 2.691 2.655 2.719 0.019 18 0 "[ . 1 . 2]" 1
329 1 20 LYS HA 1 30 LEU QD 0.000 . 5.000 2.769 2.636 2.889 . 0 0 "[ . 1 . 2]" 1
330 1 20 LYS H 1 30 LEU QD 0.000 . 3.500 3.330 3.079 3.451 . 0 0 "[ . 1 . 2]" 1
331 1 30 LEU QD 1 31 ALA H 0.000 . 3.500 2.746 2.036 3.229 . 0 0 "[ . 1 . 2]" 1
332 1 30 LEU QD 1 32 THR H 0.000 . 5.000 4.828 4.653 4.983 . 0 0 "[ . 1 . 2]" 1
333 1 30 LEU QD 1 51 TRP H 0.000 . 5.000 4.008 3.673 4.305 . 0 0 "[ . 1 . 2]" 1
334 1 30 LEU QD 1 52 MET H 0.000 . 5.000 2.899 2.560 3.167 . 0 0 "[ . 1 . 2]" 1
335 1 30 LEU QD 1 90 ALA HA 0.000 . 5.000 3.419 3.100 3.731 . 0 0 "[ . 1 . 2]" 1
336 1 30 LEU QD 1 91 TYR H 0.000 . 3.500 2.443 2.200 2.896 . 0 0 "[ . 1 . 2]" 1
337 1 30 LEU H 1 30 LEU HG 0.000 . 3.500 3.542 3.442 3.615 0.115 11 0 "[ . 1 . 2]" 1
338 1 30 LEU HG 1 91 TYR H 0.000 . 5.000 4.892 4.442 5.063 0.063 7 0 "[ . 1 . 2]" 1
339 1 31 ALA HA 1 32 THR H 0.000 . 2.700 2.339 2.237 2.463 . 0 0 "[ . 1 . 2]" 1
340 1 31 ALA HA 1 93 TYR QD 0.000 . 5.000 3.438 3.109 3.864 . 0 0 "[ . 1 . 2]" 1
341 1 31 ALA HA 1 93 TYR H 0.000 . 5.000 5.047 5.010 5.081 0.081 14 0 "[ . 1 . 2]" 1
342 1 3 TYR H 1 31 ALA MB 0.000 . 5.000 3.856 3.645 4.110 . 0 0 "[ . 1 . 2]" 1
343 1 31 ALA H 1 31 ALA MB 0.000 . 2.700 2.095 2.046 2.194 . 0 0 "[ . 1 . 2]" 1
344 1 31 ALA MB 1 32 THR HA 0.000 . 5.000 4.071 3.968 4.183 . 0 0 "[ . 1 . 2]" 1
345 1 31 ALA MB 1 32 THR H 0.000 . 3.500 2.654 2.426 2.941 . 0 0 "[ . 1 . 2]" 1
346 1 31 ALA MB 1 91 TYR QD 0.000 . 3.500 3.492 3.328 3.567 0.067 2 0 "[ . 1 . 2]" 1
347 1 31 ALA MB 1 93 TYR QD 0.000 . 2.700 2.727 2.692 2.743 0.043 15 0 "[ . 1 . 2]" 1
348 1 30 LEU H 1 31 ALA H 0.000 . 5.000 4.525 4.383 4.626 . 0 0 "[ . 1 . 2]" 1
349 1 32 THR HA 1 33 TYR H 0.000 . 3.500 2.740 2.618 2.855 . 0 0 "[ . 1 . 2]" 1
350 1 32 THR HA 1 53 ALA MB 0.000 . 5.000 3.611 3.054 3.862 . 0 0 "[ . 1 . 2]" 1
351 1 32 THR HA 1 53 ALA H 0.000 . 3.500 2.077 1.516 2.914 . 0 0 "[ . 1 . 2]" 1
352 1 32 THR H 1 32 THR HG1 0.000 . 5.000 3.408 2.689 3.880 . 0 0 "[ . 1 . 2]" 1
353 1 32 THR HG1 1 33 TYR H 0.000 . 5.000 2.852 1.936 3.760 . 0 0 "[ . 1 . 2]" 1
354 1 32 THR HG1 1 34 LYS H 0.000 . 5.000 3.204 2.572 3.923 . 0 0 "[ . 1 . 2]" 1
355 1 32 THR HG1 1 35 GLN H 0.000 . 3.500 2.187 1.580 2.765 . 0 0 "[ . 1 . 2]" 1
356 1 32 THR HA 1 32 THR MG 0.000 . 3.500 2.490 2.427 2.526 . 0 0 "[ . 1 . 2]" 1
357 1 32 THR H 1 32 THR MG 0.000 . 2.700 2.466 2.325 2.644 . 0 0 "[ . 1 . 2]" 1
358 1 32 THR MG 1 33 TYR H 0.000 . 3.500 3.556 3.549 3.567 0.067 9 0 "[ . 1 . 2]" 1
359 1 32 THR MG 1 35 GLN H 0.000 . 5.000 4.172 4.051 4.235 . 0 0 "[ . 1 . 2]" 1
360 1 31 ALA H 1 32 THR H 0.000 . 5.000 4.622 4.580 4.646 . 0 0 "[ . 1 . 2]" 1
361 1 33 TYR HA 1 33 TYR QD 0.000 . 3.500 2.581 2.490 2.688 . 0 0 "[ . 1 . 2]" 1
362 1 33 TYR HA 1 33 TYR QE 0.000 . 5.000 4.672 4.538 4.782 . 0 0 "[ . 1 . 2]" 1
363 1 33 TYR HA 1 34 LYS H 0.000 . 3.500 3.537 3.533 3.546 0.046 2 0 "[ . 1 . 2]" 1
364 1 33 TYR HA 1 37 GLU H 0.000 . 5.000 4.306 4.086 4.550 . 0 0 "[ . 1 . 2]" 1
365 1 33 TYR HA 1 52 MET ME 0.000 . 5.000 2.661 1.993 3.207 . 0 0 "[ . 1 . 2]" 1
366 1 33 TYR HB2 1 33 TYR QD 0.000 . 2.700 2.594 2.577 2.606 . 0 0 "[ . 1 . 2]" 1
367 1 33 TYR HB2 1 34 LYS H 0.000 . 3.500 3.559 3.541 3.573 0.073 9 0 "[ . 1 . 2]" 1
368 1 33 TYR HB3 1 33 TYR QD 0.000 . 2.700 2.282 2.277 2.286 . 0 0 "[ . 1 . 2]" 1
369 1 33 TYR HB3 1 34 LYS H 0.000 . 2.700 2.064 2.012 2.124 . 0 0 "[ . 1 . 2]" 1
370 1 33 TYR HB3 1 35 GLN H 0.000 . 5.000 4.545 4.453 4.656 . 0 0 "[ . 1 . 2]" 1
371 1 33 TYR H 1 33 TYR QD 0.000 . 5.000 4.152 4.082 4.208 . 0 0 "[ . 1 . 2]" 1
372 1 33 TYR QD 1 34 LYS H 0.000 . 3.500 2.590 2.287 3.007 . 0 0 "[ . 1 . 2]" 1
373 1 33 TYR QD 1 52 MET ME 0.000 . 3.500 2.743 1.763 3.505 0.005 14 0 "[ . 1 . 2]" 1
374 1 33 TYR QE 1 75 ILE H 0.000 . 5.000 3.336 3.180 3.600 . 0 0 "[ . 1 . 2]" 1
375 1 33 TYR QD 1 34 LYS HA 0.000 . 3.500 3.509 3.500 3.521 0.021 8 0 "[ . 1 . 2]" 1
376 1 33 TYR QE 1 34 LYS HA 0.000 . 5.000 4.153 3.915 4.585 . 0 0 "[ . 1 . 2]" 1
377 1 34 LYS H 1 34 LYS HA 0.000 . 2.700 2.731 2.721 2.741 0.041 1 0 "[ . 1 . 2]" 1
378 1 34 LYS HA 1 37 GLU H 0.000 . 3.500 3.518 3.490 3.529 0.029 14 0 "[ . 1 . 2]" 1
379 1 34 LYS H 1 34 LYS QB 0.000 . 2.700 2.507 2.280 2.710 0.010 16 0 "[ . 1 . 2]" 1
380 1 34 LYS QB 1 35 GLN H 0.000 . 2.700 2.616 2.505 2.711 0.011 17 0 "[ . 1 . 2]" 1
381 1 32 THR HG1 1 34 LYS HB3 0.000 . 5.000 4.824 4.451 5.010 0.010 15 0 "[ . 1 . 2]" 1
382 1 32 THR HG1 1 34 LYS HB2 0.000 . 5.000 3.280 3.025 3.684 . 0 0 "[ . 1 . 2]" 1
383 1 34 LYS H 1 34 LYS HG3 0.000 . 3.500 2.534 1.776 3.164 . 0 0 "[ . 1 . 2]" 1
384 1 34 LYS H 1 34 LYS HG2 0.000 . 3.500 2.806 1.990 3.317 . 0 0 "[ . 1 . 2]" 1
385 1 33 TYR H 1 34 LYS H 0.000 . 3.500 2.831 2.769 2.890 . 0 0 "[ . 1 . 2]" 1
386 1 32 THR HG1 1 35 GLN HA 0.000 . 5.000 4.561 4.129 4.959 . 0 0 "[ . 1 . 2]" 1
387 1 32 THR H 1 35 GLN HA 0.000 . 5.000 5.013 4.883 5.056 0.056 11 0 "[ . 1 . 2]" 1
388 1 35 GLN HA 1 38 ALA H 0.000 . 3.500 3.551 3.536 3.571 0.071 1 0 "[ . 1 . 2]" 1
389 1 32 THR H 1 35 GLN HB3 0.000 . 3.500 3.247 3.085 3.390 . 0 0 "[ . 1 . 2]" 1
390 1 35 GLN H 1 35 GLN HB3 0.000 . 3.500 3.568 3.564 3.574 0.074 17 0 "[ . 1 . 2]" 1
391 1 35 GLN HB3 1 36 LEU H 0.000 . 3.500 3.374 3.242 3.515 0.015 18 0 "[ . 1 . 2]" 1
392 1 32 THR HG1 1 35 GLN HB2 0.000 . 5.000 3.035 2.268 3.568 . 0 0 "[ . 1 . 2]" 1
393 1 32 THR H 1 35 GLN HB2 0.000 . 3.500 2.009 1.887 2.077 . 0 0 "[ . 1 . 2]" 1
394 1 35 GLN H 1 35 GLN HB2 0.000 . 3.500 2.419 2.379 2.510 . 0 0 "[ . 1 . 2]" 1
395 1 35 GLN HB2 1 36 LEU H 0.000 . 3.500 2.386 2.284 2.521 . 0 0 "[ . 1 . 2]" 1
396 1 35 GLN H 1 35 GLN HE21 0.000 . 5.000 4.947 4.005 5.014 0.014 20 0 "[ . 1 . 2]" 1
397 1 32 THR H 1 35 GLN HE22 0.000 . 5.000 4.493 3.833 4.681 . 0 0 "[ . 1 . 2]" 1
398 1 35 GLN HA 1 35 GLN QG 0.000 . 2.700 2.403 2.353 2.502 . 0 0 "[ . 1 . 2]" 1
399 1 32 THR HG1 1 35 GLN HG3 0.000 . 5.000 2.386 1.983 2.840 . 0 0 "[ . 1 . 2]" 1
400 1 32 THR H 1 35 GLN HG3 0.000 . 5.000 3.631 3.399 3.793 . 0 0 "[ . 1 . 2]" 1
401 1 35 GLN H 1 35 GLN HG3 0.000 . 3.500 2.298 2.080 2.406 . 0 0 "[ . 1 . 2]" 1
402 1 35 GLN HG3 1 36 LEU H 0.000 . 5.000 4.277 4.199 4.340 . 0 0 "[ . 1 . 2]" 1
403 1 32 THR HG1 1 35 GLN HG2 0.000 . 5.000 4.066 3.693 4.516 . 0 0 "[ . 1 . 2]" 1
404 1 35 GLN H 1 35 GLN HG2 0.000 . 3.500 3.510 3.500 3.528 0.028 18 0 "[ . 1 . 2]" 1
405 1 35 GLN HG2 1 36 LEU H 0.000 . 5.000 4.905 4.838 4.972 . 0 0 "[ . 1 . 2]" 1
406 1 32 THR H 1 35 GLN H 0.000 . 5.000 3.872 3.795 3.923 . 0 0 "[ . 1 . 2]" 1
407 1 34 LYS H 1 35 GLN H 0.000 . 3.500 2.867 2.830 2.912 . 0 0 "[ . 1 . 2]" 1
408 1 35 GLN H 1 36 LEU H 0.000 . 2.700 2.717 2.687 2.735 0.035 14 0 "[ . 1 . 2]" 1
409 1 2 VAL QG 1 36 LEU HA 0.000 . 5.000 2.837 2.368 3.129 . 0 0 "[ . 1 . 2]" 1
410 1 36 LEU HA 1 39 ALA H 0.000 . 5.000 3.536 3.403 3.649 . 0 0 "[ . 1 . 2]" 1
411 1 36 LEU H 1 36 LEU HB3 0.000 . 3.500 3.049 2.757 3.287 . 0 0 "[ . 1 . 2]" 1
412 1 36 LEU HB3 1 37 GLU H 0.000 . 3.500 3.079 2.572 3.333 . 0 0 "[ . 1 . 2]" 1
413 1 36 LEU HB3 1 75 ILE MD 0.000 . 5.000 2.158 1.731 3.257 . 0 0 "[ . 1 . 2]" 1
414 1 33 TYR HA 1 36 LEU HB2 0.000 . 5.000 3.178 2.785 3.827 . 0 0 "[ . 1 . 2]" 1
415 1 36 LEU H 1 36 LEU HB2 0.000 . 2.700 2.118 2.059 2.306 . 0 0 "[ . 1 . 2]" 1
416 1 36 LEU HB2 1 37 GLU H 0.000 . 5.000 3.586 3.321 3.922 . 0 0 "[ . 1 . 2]" 1
417 1 36 LEU HA 1 36 LEU QD 0.000 . 2.700 1.795 1.561 2.035 . 0 0 "[ . 1 . 2]" 1
418 1 36 LEU H 1 36 LEU QD 0.000 . 5.000 3.174 2.881 3.593 . 0 0 "[ . 1 . 2]" 1
419 1 36 LEU QD 1 37 GLU H 0.000 . 5.000 3.840 3.540 3.989 . 0 0 "[ . 1 . 2]" 1
420 1 36 LEU QD 1 44 PHE QD 0.000 . 2.700 2.487 2.131 2.652 . 0 0 "[ . 1 . 2]" 1
421 1 36 LEU QD 1 44 PHE QE 0.000 . 2.700 2.228 1.664 2.686 . 0 0 "[ . 1 . 2]" 1
422 1 36 LEU QD 1 91 TYR QD 0.000 . 3.500 2.496 2.206 2.795 . 0 0 "[ . 1 . 2]" 1
423 1 36 LEU QD 1 39 ALA H 0.000 . 5.000 4.059 3.719 4.266 . 0 0 "[ . 1 . 2]" 1
424 1 36 LEU QD 1 91 TYR QE 0.000 . 3.500 2.649 2.484 2.778 . 0 0 "[ . 1 . 2]" 1
425 1 36 LEU HG 1 91 TYR QD 0.000 . 5.000 3.451 3.167 3.843 . 0 0 "[ . 1 . 2]" 1
426 1 35 GLN HA 1 36 LEU H 0.000 . 5.000 3.561 3.553 3.568 . 0 0 "[ . 1 . 2]" 1
427 1 36 LEU H 1 37 GLU H 0.000 . 3.500 2.627 2.560 2.693 . 0 0 "[ . 1 . 2]" 1
428 1 36 LEU H 1 38 ALA H 0.000 . 5.000 4.707 4.511 4.784 . 0 0 "[ . 1 . 2]" 1
429 1 37 GLU HA 1 38 ALA H 0.000 . 3.500 3.546 3.521 3.552 0.052 17 0 "[ . 1 . 2]" 1
430 1 37 GLU HA 1 40 ARG H 0.000 . 3.500 3.173 3.107 3.265 . 0 0 "[ . 1 . 2]" 1
431 1 37 GLU H 1 37 GLU HB3 0.000 . 3.500 2.599 2.520 3.503 0.003 9 0 "[ . 1 . 2]" 1
432 1 37 GLU HB3 1 38 ALA H 0.000 . 2.700 2.158 2.063 3.571 0.871 9 1 "[ . +1 . 2]" 1
433 1 37 GLU H 1 37 GLU HB2 0.000 . 3.500 2.524 2.429 2.954 . 0 0 "[ . 1 . 2]" 1
434 1 37 GLU HB2 1 38 ALA H 0.000 . 3.500 3.474 2.088 3.578 0.078 10 0 "[ . 1 . 2]" 1
435 1 37 GLU HB2 1 75 ILE MD 0.000 . 3.500 2.952 2.384 4.237 0.737 9 1 "[ . +1 . 2]" 1
436 1 37 GLU HA 1 37 GLU QG 0.000 . 2.700 2.562 2.461 2.797 0.097 9 0 "[ . 1 . 2]" 1
437 1 37 GLU H 1 37 GLU QG 0.000 . 5.000 3.865 1.577 4.018 . 0 0 "[ . 1 . 2]" 1
438 1 37 GLU QG 1 38 ALA H 0.000 . 3.500 3.343 3.094 3.428 . 0 0 "[ . 1 . 2]" 1
439 1 38 ALA H 1 38 ALA HA 0.000 . 2.700 2.776 2.755 2.791 0.091 17 0 "[ . 1 . 2]" 1
440 1 38 ALA HA 1 39 ALA H 0.000 . 3.500 3.392 3.358 3.446 . 0 0 "[ . 1 . 2]" 1
441 1 38 ALA HA 1 40 ARG H 0.000 . 5.000 4.218 4.150 4.332 . 0 0 "[ . 1 . 2]" 1
442 1 38 ALA HA 1 41 LYS H 0.000 . 3.500 3.547 3.523 3.571 0.071 1 0 "[ . 1 . 2]" 1
443 1 35 GLN HA 1 38 ALA MB 0.000 . 3.500 3.124 2.783 3.316 . 0 0 "[ . 1 . 2]" 1
444 1 38 ALA H 1 38 ALA MB 0.000 . 2.700 2.130 2.030 2.233 . 0 0 "[ . 1 . 2]" 1
445 1 38 ALA MB 1 39 ALA H 0.000 . 3.500 3.058 2.933 3.138 . 0 0 "[ . 1 . 2]" 1
446 1 37 GLU H 1 38 ALA H 0.000 . 3.500 2.771 2.698 2.925 . 0 0 "[ . 1 . 2]" 1
447 1 38 ALA H 1 41 LYS H 0.000 . 5.000 4.869 4.761 4.991 . 0 0 "[ . 1 . 2]" 1
448 1 39 ALA HA 1 42 ILE MD 0.000 . 5.000 3.549 3.193 3.739 . 0 0 "[ . 1 . 2]" 1
449 1 39 ALA HA 1 42 ILE HG13 0.000 . 5.000 3.905 3.539 4.079 . 0 0 "[ . 1 . 2]" 1
450 1 39 ALA HA 1 42 ILE H 0.000 . 3.500 3.503 3.383 3.531 0.031 3 0 "[ . 1 . 2]" 1
451 1 39 ALA HA 1 44 PHE H 0.000 . 5.000 4.807 4.526 4.889 . 0 0 "[ . 1 . 2]" 1
452 1 36 LEU HA 1 39 ALA MB 0.000 . 3.500 2.407 2.213 2.628 . 0 0 "[ . 1 . 2]" 1
453 1 39 ALA H 1 39 ALA MB 0.000 . 2.700 2.318 2.271 2.335 . 0 0 "[ . 1 . 2]" 1
454 1 39 ALA MB 1 40 ARG HA 0.000 . 5.000 3.878 3.859 3.895 . 0 0 "[ . 1 . 2]" 1
455 1 39 ALA MB 1 40 ARG H 0.000 . 2.700 2.735 2.690 2.755 0.055 19 0 "[ . 1 . 2]" 1
456 1 39 ALA MB 1 44 PHE QD 0.000 . 2.700 1.852 1.528 1.947 . 0 0 "[ . 1 . 2]" 1
457 1 39 ALA MB 1 44 PHE QE 0.000 . 3.500 3.437 3.100 3.526 0.026 6 0 "[ . 1 . 2]" 1
458 1 37 GLU H 1 39 ALA H 0.000 . 5.000 3.618 3.514 3.790 . 0 0 "[ . 1 . 2]" 1
459 1 38 ALA H 1 39 ALA H 0.000 . 2.700 2.691 2.646 2.731 0.031 10 0 "[ . 1 . 2]" 1
460 1 39 ALA H 1 40 ARG H 0.000 . 3.500 2.107 2.070 2.187 . 0 0 "[ . 1 . 2]" 1
461 1 39 ALA H 1 41 LYS H 0.000 . 5.000 3.669 3.611 3.733 . 0 0 "[ . 1 . 2]" 1
462 1 4 HIS HA 1 4 HIS HD2 0.000 . 3.500 3.120 2.601 3.504 0.004 13 0 "[ . 1 . 2]" 1
463 1 4 HIS HA 1 5 ARG H 0.000 . 2.700 2.328 2.244 2.400 . 0 0 "[ . 1 . 2]" 1
464 1 4 HIS HA 1 91 TYR QD 0.000 . 3.500 2.394 2.173 2.627 . 0 0 "[ . 1 . 2]" 1
465 1 4 HIS HA 1 91 TYR QE 0.000 . 5.000 3.576 3.134 4.073 . 0 0 "[ . 1 . 2]" 1
466 1 4 HIS HA 1 92 CYS H 0.000 . 3.500 3.164 2.468 3.509 0.009 12 0 "[ . 1 . 2]" 1
467 1 4 HIS H 1 4 HIS HB3 0.000 . 2.700 2.449 2.211 2.683 . 0 0 "[ . 1 . 2]" 1
468 1 4 HIS HB3 1 46 VAL QG 0.000 . 5.000 2.600 2.058 3.228 . 0 0 "[ . 1 . 2]" 1
469 1 4 HIS HB3 1 5 ARG H 0.000 . 5.000 3.808 3.491 4.069 . 0 0 "[ . 1 . 2]" 1
470 1 4 HIS HB2 1 4 HIS HD2 0.000 . 4.000 3.053 2.779 3.968 . 0 0 "[ . 1 . 2]" 1
471 1 4 HIS H 1 4 HIS HB2 0.000 . 3.500 2.937 2.550 3.244 . 0 0 "[ . 1 . 2]" 1
472 1 4 HIS HB2 1 46 VAL QG 0.000 . 3.500 1.984 1.698 2.143 . 0 0 "[ . 1 . 2]" 1
473 1 4 HIS HB2 1 5 ARG H 0.000 . 5.000 3.781 3.513 4.065 . 0 0 "[ . 1 . 2]" 1
474 1 4 HIS HD2 1 5 ARG H 0.000 . 5.000 2.717 1.976 3.406 . 0 0 "[ . 1 . 2]" 1
475 1 4 HIS HD2 1 90 ALA H 0.000 . 5.000 3.769 3.179 4.410 . 0 0 "[ . 1 . 2]" 1
476 1 4 HIS HD2 1 91 TYR HH 0.000 . 5.000 3.908 2.841 5.108 0.108 15 0 "[ . 1 . 2]" 1
477 1 4 HIS H 1 92 CYS H 0.000 . 5.000 4.817 4.430 5.025 0.025 18 0 "[ . 1 . 2]" 1
478 1 40 ARG HA 1 41 LYS H 0.000 . 5.000 3.496 3.485 3.522 . 0 0 "[ . 1 . 2]" 1
479 1 40 ARG HA 1 44 PHE H 0.000 . 2.700 2.334 2.027 2.621 . 0 0 "[ . 1 . 2]" 1
480 1 39 ALA H 1 40 ARG HB3 0.000 . 4.000 4.064 4.050 4.084 0.084 10 0 "[ . 1 . 2]" 1
481 1 40 ARG HB3 1 40 ARG HE 0.000 . 5.000 3.706 2.216 4.694 . 0 0 "[ . 1 . 2]" 1
482 1 40 ARG H 1 40 ARG HB3 0.000 . 2.700 2.269 2.222 2.291 . 0 0 "[ . 1 . 2]" 1
483 1 40 ARG HB3 1 41 LYS H 0.000 . 2.700 2.762 2.733 2.779 0.079 20 0 "[ . 1 . 2]" 1
484 1 39 ALA H 1 40 ARG HB2 0.000 . 5.000 4.611 4.554 4.711 . 0 0 "[ . 1 . 2]" 1
485 1 40 ARG HB2 1 40 ARG HE 0.000 . 5.000 4.235 2.818 4.854 . 0 0 "[ . 1 . 2]" 1
486 1 40 ARG H 1 40 ARG HB2 0.000 . 2.700 2.730 2.716 2.744 0.044 10 0 "[ . 1 . 2]" 1
487 1 40 ARG HB2 1 75 ILE MD 0.000 . 5.000 3.621 3.269 4.093 . 0 0 "[ . 1 . 2]" 1
488 1 40 ARG HG3 1 62 VAL H 0.000 . 5.000 3.936 3.174 4.635 . 0 0 "[ . 1 . 2]" 1
489 1 40 ARG HG2 1 62 VAL H 0.000 . 5.000 4.564 4.088 5.008 0.008 12 0 "[ . 1 . 2]" 1
490 1 38 ALA H 1 40 ARG H 0.000 . 5.000 4.086 4.001 4.162 . 0 0 "[ . 1 . 2]" 1
491 1 40 ARG H 1 42 ILE H 0.000 . 5.000 3.898 3.812 3.941 . 0 0 "[ . 1 . 2]" 1
492 1 40 ARG H 1 41 LYS HA 0.000 . 5.000 5.071 5.051 5.094 0.094 1 0 "[ . 1 . 2]" 1
493 1 41 LYS H 1 41 LYS HA 0.000 . 3.000 2.828 2.802 2.844 . 0 0 "[ . 1 . 2]" 1
494 1 41 LYS HA 1 42 ILE H 0.000 . 3.500 3.408 3.363 3.426 . 0 0 "[ . 1 . 2]" 1
495 1 41 LYS HA 1 43 GLY H 0.000 . 5.000 3.865 3.647 4.058 . 0 0 "[ . 1 . 2]" 1
496 1 41 LYS HA 1 44 PHE H 0.000 . 5.000 5.044 5.032 5.062 0.062 20 0 "[ . 1 . 2]" 1
497 1 41 LYS HA 1 41 LYS QB 0.000 . 2.700 2.296 2.216 2.345 . 0 0 "[ . 1 . 2]" 1
498 1 41 LYS H 1 41 LYS QB 0.000 . 2.700 2.603 2.495 2.753 0.053 16 0 "[ . 1 . 2]" 1
499 1 41 LYS QB 1 42 ILE H 0.000 . 3.500 3.101 3.001 3.178 . 0 0 "[ . 1 . 2]" 1
500 1 41 LYS QB 1 43 GLY H 0.000 . 5.000 4.677 4.577 4.752 . 0 0 "[ . 1 . 2]" 1
501 1 41 LYS HA 1 41 LYS HG3 0.000 . 3.500 3.506 3.180 3.545 0.045 2 0 "[ . 1 . 2]" 1
502 1 41 LYS H 1 41 LYS HG3 0.000 . 2.700 2.185 1.431 2.488 . 0 0 "[ . 1 . 2]" 1
503 1 41 LYS HA 1 41 LYS HG2 0.000 . 3.000 2.575 2.428 2.987 . 0 0 "[ . 1 . 2]" 1
504 1 41 LYS H 1 41 LYS HG2 0.000 . 2.700 2.720 2.702 2.833 0.133 16 0 "[ . 1 . 2]" 1
505 1 40 ARG H 1 41 LYS H 0.000 . 3.500 2.444 2.416 2.475 . 0 0 "[ . 1 . 2]" 1
506 1 42 ILE HA 1 42 ILE HB 0.000 . 2.700 2.359 2.352 2.371 . 0 0 "[ . 1 . 2]" 1
507 1 42 ILE HB 1 42 ILE MD 0.000 . 2.700 2.118 2.017 2.233 . 0 0 "[ . 1 . 2]" 1
508 1 42 ILE H 1 42 ILE HB 0.000 . 4.000 3.660 3.640 3.698 . 0 0 "[ . 1 . 2]" 1
509 1 42 ILE HB 1 43 GLY H 0.000 . 5.000 4.232 4.143 4.329 . 0 0 "[ . 1 . 2]" 1
510 1 42 ILE MD 1 43 GLY HA2 0.000 . 5.000 3.980 3.791 4.145 . 0 0 "[ . 1 . 2]" 1
511 1 42 ILE MD 1 43 GLY H 0.000 . 5.000 4.024 3.867 4.220 . 0 0 "[ . 1 . 2]" 1
512 1 42 ILE MD 1 44 PHE H 0.000 . 5.000 3.877 3.740 4.015 . 0 0 "[ . 1 . 2]" 1
513 1 42 ILE H 1 42 ILE HG13 0.000 . 2.700 2.750 2.712 2.779 0.079 2 0 "[ . 1 . 2]" 1
514 1 42 ILE HG13 1 43 GLY H 0.000 . 5.000 2.392 2.175 2.671 . 0 0 "[ . 1 . 2]" 1
515 1 42 ILE HG13 1 44 PHE H 0.000 . 3.500 2.523 2.376 2.655 . 0 0 "[ . 1 . 2]" 1
516 1 39 ALA HA 1 42 ILE HG12 0.000 . 3.500 2.271 1.881 2.454 . 0 0 "[ . 1 . 2]" 1
517 1 42 ILE H 1 42 ILE HG12 0.000 . 2.700 2.722 2.675 2.732 0.032 6 0 "[ . 1 . 2]" 1
518 1 42 ILE HG12 1 43 GLY H 0.000 . 5.000 3.581 3.332 3.888 . 0 0 "[ . 1 . 2]" 1
519 1 42 ILE HG12 1 44 PHE H 0.000 . 3.500 3.534 3.521 3.568 0.068 1 0 "[ . 1 . 2]" 1
520 1 39 ALA HA 1 42 ILE MG 0.000 . 3.500 2.539 2.509 2.588 . 0 0 "[ . 1 . 2]" 1
521 1 40 ARG H 1 42 ILE MG 0.000 . 5.000 4.433 4.380 4.495 . 0 0 "[ . 1 . 2]" 1
522 1 41 LYS H 1 42 ILE MG 0.000 . 3.500 3.533 3.521 3.546 0.046 2 0 "[ . 1 . 2]" 1
523 1 42 ILE HA 1 42 ILE MG 0.000 . 3.500 2.527 2.501 2.551 . 0 0 "[ . 1 . 2]" 1
524 1 42 ILE H 1 42 ILE MG 0.000 . 2.700 2.037 1.970 2.184 . 0 0 "[ . 1 . 2]" 1
525 1 42 ILE MG 1 43 GLY H 0.000 . 5.000 3.814 3.700 3.953 . 0 0 "[ . 1 . 2]" 1
526 1 41 LYS H 1 42 ILE H 0.000 . 3.500 2.571 2.505 2.606 . 0 0 "[ . 1 . 2]" 1
527 1 43 GLY H 1 43 GLY HA2 0.000 . 3.000 2.949 2.936 2.957 . 0 0 "[ . 1 . 2]" 1
528 1 42 ILE H 1 43 GLY HA3 0.000 . 5.000 4.752 4.663 4.835 . 0 0 "[ . 1 . 2]" 1
529 1 43 GLY H 1 43 GLY HA3 0.000 . 2.700 2.542 2.491 2.596 . 0 0 "[ . 1 . 2]" 1
530 1 43 GLY HA3 1 44 PHE H 0.000 . 5.000 3.154 3.102 3.230 . 0 0 "[ . 1 . 2]" 1
531 1 42 ILE HA 1 43 GLY H 0.000 . 3.500 3.396 3.326 3.442 . 0 0 "[ . 1 . 2]" 1
532 1 42 ILE H 1 43 GLY H 0.000 . 2.700 2.263 2.144 2.358 . 0 0 "[ . 1 . 2]" 1
533 1 44 PHE HA 1 44 PHE QD 0.000 . 2.700 2.018 1.746 2.760 0.060 20 0 "[ . 1 . 2]" 1
534 1 44 PHE HA 1 45 HIS H 0.000 . 2.700 2.177 2.133 2.341 . 0 0 "[ . 1 . 2]" 1
535 1 39 ALA MB 1 44 PHE HB3 0.000 . 3.500 3.141 3.014 3.428 . 0 0 "[ . 1 . 2]" 1
536 1 40 ARG H 1 44 PHE HB3 0.000 . 3.500 3.424 3.180 3.526 0.026 5 0 "[ . 1 . 2]" 1
537 1 43 GLY H 1 44 PHE HB3 0.000 . 5.000 4.310 4.095 4.432 . 0 0 "[ . 1 . 2]" 1
538 1 44 PHE HB3 1 44 PHE QD 0.000 . 2.700 2.617 2.503 2.732 0.032 17 0 "[ . 1 . 2]" 1
539 1 44 PHE H 1 44 PHE HB3 0.000 . 2.700 2.733 2.549 2.828 0.128 1 0 "[ . 1 . 2]" 1
540 1 44 PHE HB3 1 45 HIS H 0.000 . 5.000 4.147 3.812 4.436 . 0 0 "[ . 1 . 2]" 1
541 1 39 ALA MB 1 44 PHE HB2 0.000 . 5.000 2.773 2.439 2.926 . 0 0 "[ . 1 . 2]" 1
542 1 40 ARG H 1 44 PHE HB2 0.000 . 5.000 4.155 3.556 4.574 . 0 0 "[ . 1 . 2]" 1
543 1 42 ILE H 1 44 PHE HB2 0.000 . 5.000 4.344 4.115 4.649 . 0 0 "[ . 1 . 2]" 1
544 1 43 GLY H 1 44 PHE HB2 0.000 . 5.000 3.948 3.663 4.209 . 0 0 "[ . 1 . 2]" 1
545 1 44 PHE HB2 1 44 PHE QD 0.000 . 2.700 2.562 2.275 2.702 0.002 9 0 "[ . 1 . 2]" 1
546 1 44 PHE H 1 44 PHE HB2 0.000 . 2.700 2.420 2.293 2.630 . 0 0 "[ . 1 . 2]" 1
547 1 40 ARG H 1 44 PHE QD 0.000 . 5.000 4.232 3.593 4.804 . 0 0 "[ . 1 . 2]" 1
548 1 44 PHE H 1 44 PHE QD 0.000 . 5.000 4.163 4.127 4.200 . 0 0 "[ . 1 . 2]" 1
549 1 44 PHE QD 1 45 HIS H 0.000 . 3.500 2.182 1.491 3.395 . 0 0 "[ . 1 . 2]" 1
550 1 3 TYR H 1 44 PHE QE 0.000 . 5.000 3.671 2.767 4.028 . 0 0 "[ . 1 . 2]" 1
551 1 4 HIS H 1 44 PHE QE 0.000 . 3.500 3.199 2.891 3.534 0.034 17 0 "[ . 1 . 2]" 1
552 1 44 PHE QE 1 91 TYR QD 0.000 . 2.700 2.727 2.707 2.747 0.047 20 0 "[ . 1 . 2]" 1
553 1 42 ILE H 1 44 PHE H 0.000 . 3.500 3.207 3.092 3.271 . 0 0 "[ . 1 . 2]" 1
554 1 43 GLY H 1 44 PHE H 0.000 . 2.700 1.786 1.696 1.944 . 0 0 "[ . 1 . 2]" 1
555 1 45 HIS HA 1 46 VAL H 0.000 . 2.700 2.153 2.137 2.168 . 0 0 "[ . 1 . 2]" 1
556 1 45 HIS H 1 45 HIS QB 0.000 . 3.500 2.624 2.412 2.823 . 0 0 "[ . 1 . 2]" 1
557 1 45 HIS QB 1 46 VAL H 0.000 . 5.000 3.767 3.712 3.839 . 0 0 "[ . 1 . 2]" 1
558 1 45 HIS QB 1 62 VAL H 0.000 . 5.000 2.978 2.490 3.200 . 0 0 "[ . 1 . 2]" 1
559 1 45 HIS HD2 1 46 VAL H 0.000 . 5.000 2.242 2.109 2.533 . 0 0 "[ . 1 . 2]" 1
560 1 45 HIS HD2 1 47 CYS H 0.000 . 5.000 2.619 2.207 3.032 . 0 0 "[ . 1 . 2]" 1
561 1 45 HIS HE1 1 63 LYS H 0.000 . 5.000 2.519 2.057 3.342 . 0 0 "[ . 1 . 2]" 1
562 1 45 HIS H 1 46 VAL H 0.000 . 5.000 4.229 4.048 4.399 . 0 0 "[ . 1 . 2]" 1
563 1 45 HIS HD2 1 46 VAL HA 0.000 . 2.700 2.698 2.601 2.735 0.035 10 0 "[ . 1 . 2]" 1
564 1 46 VAL HA 1 47 CYS H 0.000 . 2.700 2.190 2.133 2.263 . 0 0 "[ . 1 . 2]" 1
565 1 46 VAL HB 1 47 CYS H 0.000 . 5.000 4.094 3.797 4.264 . 0 0 "[ . 1 . 2]" 1
566 1 46 VAL HB 1 48 ALA H 0.000 . 5.000 3.929 3.245 5.026 0.026 12 0 "[ . 1 . 2]" 1
567 1 46 VAL HB 1 91 TYR HH 0.000 . 3.500 2.071 1.597 3.547 0.047 12 0 "[ . 1 . 2]" 1
568 1 4 HIS H 1 46 VAL QG 0.000 . 5.000 3.988 3.474 4.373 . 0 0 "[ . 1 . 2]" 1
569 1 44 PHE QE 1 46 VAL QG 0.000 . 2.700 2.103 1.628 2.360 . 0 0 "[ . 1 . 2]" 1
570 1 45 HIS HD2 1 46 VAL QG 0.000 . 5.000 3.658 3.551 3.717 . 0 0 "[ . 1 . 2]" 1
571 1 45 HIS H 1 46 VAL QG 0.000 . 5.000 3.292 2.973 3.971 . 0 0 "[ . 1 . 2]" 1
572 1 46 VAL QG 1 47 CYS H 0.000 . 3.500 3.295 3.033 3.397 . 0 0 "[ . 1 . 2]" 1
573 1 5 ARG H 1 46 VAL QG 0.000 . 5.000 4.227 4.090 4.435 . 0 0 "[ . 1 . 2]" 1
574 1 46 VAL QG 1 91 TYR QD 0.000 . 3.500 3.451 3.349 3.504 0.004 13 0 "[ . 1 . 2]" 1
575 1 46 VAL QG 1 91 TYR QE 0.000 . 2.700 1.518 1.403 1.651 . 0 0 "[ . 1 . 2]" 1
576 1 46 VAL QG 1 91 TYR HH 0.000 . 3.500 2.169 1.460 2.606 . 0 0 "[ . 1 . 2]" 1
577 1 4 HIS HD2 1 46 VAL QG 0.000 . 3.500 2.793 2.121 3.428 . 0 0 "[ . 1 . 2]" 1
578 1 46 VAL QG 1 48 ALA H 0.000 . 5.000 3.776 2.314 4.443 . 0 0 "[ . 1 . 2]" 1
579 1 47 CYS HA 1 48 ALA H 0.000 . 3.500 2.403 2.256 3.251 . 0 0 "[ . 1 . 2]" 1
580 1 47 CYS H 1 47 CYS HB3 0.000 . 3.500 3.000 2.436 3.525 0.025 16 0 "[ . 1 . 2]" 1
581 1 47 CYS HB3 1 48 ALA MB 0.000 . 5.000 4.293 3.984 5.350 0.350 13 0 "[ . 1 . 2]" 1
582 1 47 CYS HB3 1 48 ALA H 0.000 . 5.000 4.309 3.765 4.455 . 0 0 "[ . 1 . 2]" 1
583 1 47 CYS H 1 47 CYS HB2 0.000 . 3.500 2.453 2.081 3.499 . 0 0 "[ . 1 . 2]" 1
584 1 46 VAL H 1 47 CYS H 0.000 . 5.000 3.776 3.576 3.961 . 0 0 "[ . 1 . 2]" 1
585 1 12 TYR QE 1 48 ALA HA 0.000 . 2.700 2.726 2.673 2.751 0.051 18 0 "[ . 1 . 2]" 1
586 1 12 TYR HH 1 48 ALA HA 0.000 . 5.000 2.506 1.662 3.589 . 0 0 "[ . 1 . 2]" 1
587 1 48 ALA HA 1 49 ALA MB 0.000 . 5.000 3.936 3.914 3.973 . 0 0 "[ . 1 . 2]" 1
588 1 48 ALA HA 1 49 ALA H 0.000 . 2.700 2.158 2.138 2.215 . 0 0 "[ . 1 . 2]" 1
589 1 12 TYR QD 1 48 ALA MB 0.000 . 3.500 3.468 3.291 3.544 0.044 13 0 "[ . 1 . 2]" 1
590 1 12 TYR QE 1 48 ALA MB 0.000 . 2.700 2.038 1.782 2.390 . 0 0 "[ . 1 . 2]" 1
591 1 46 VAL QG 1 48 ALA MB 0.000 . 5.000 3.006 2.276 3.628 . 0 0 "[ . 1 . 2]" 1
592 1 48 ALA MB 1 49 ALA H 0.000 . 5.000 3.122 2.856 3.285 . 0 0 "[ . 1 . 2]" 1
593 1 47 CYS H 1 48 ALA H 0.000 . 5.000 3.871 2.677 4.143 . 0 0 "[ . 1 . 2]" 1
594 1 49 ALA HA 1 50 GLY H 0.000 . 3.500 2.153 2.141 2.187 . 0 0 "[ . 1 . 2]" 1
595 1 12 TYR QE 1 49 ALA MB 0.000 . 3.500 3.087 2.825 3.311 . 0 0 "[ . 1 . 2]" 1
596 1 49 ALA H 1 49 ALA MB 0.000 . 3.500 2.053 2.021 2.097 . 0 0 "[ . 1 . 2]" 1
597 1 49 ALA MB 1 50 GLY H 0.000 . 5.000 3.349 3.251 3.488 . 0 0 "[ . 1 . 2]" 1
598 1 49 ALA MB 1 58 GLY H 0.000 . 5.000 4.583 4.272 4.804 . 0 0 "[ . 1 . 2]" 1
599 1 49 ALA MB 1 59 TYR QD 0.000 . 2.700 2.086 1.823 2.361 . 0 0 "[ . 1 . 2]" 1
600 1 49 ALA MB 1 88 TRP HE3 0.000 . 3.500 2.300 2.116 2.434 . 0 0 "[ . 1 . 2]" 1
601 1 49 ALA MB 1 88 TRP HZ3 0.000 . 3.500 3.480 3.418 3.515 0.015 16 0 "[ . 1 . 2]" 1
602 1 48 ALA H 1 49 ALA H 0.000 . 5.000 3.959 3.754 4.518 . 0 0 "[ . 1 . 2]" 1
603 1 5 ARG HA 1 6 GLU H 0.000 . 2.700 2.309 2.238 2.433 . 0 0 "[ . 1 . 2]" 1
604 1 5 ARG H 1 5 ARG QB 0.000 . 2.700 2.742 2.676 2.805 0.105 8 0 "[ . 1 . 2]" 1
605 1 5 ARG QB 1 6 GLU H 0.000 . 3.500 3.061 2.531 3.527 0.027 3 0 "[ . 1 . 2]" 1
606 1 5 ARG QB 1 90 ALA H 0.000 . 5.000 3.909 3.347 4.474 . 0 0 "[ . 1 . 2]" 1
607 1 5 ARG HD2 1 6 GLU H 0.000 . 5.000 3.595 2.603 5.004 0.004 5 0 "[ . 1 . 2]" 1
608 1 5 ARG HD3 1 6 GLU H 0.000 . 3.500 3.213 1.943 4.312 0.812 17 1 "[ . 1 . + 2]" 1
609 1 5 ARG QG 1 6 GLU H 0.000 . 5.000 2.979 1.686 4.415 . 0 0 "[ . 1 . 2]" 1
610 1 50 GLY HA3 1 51 TRP H 0.000 . 3.500 2.132 2.120 2.146 . 0 0 "[ . 1 . 2]" 1
611 1 50 GLY HA3 1 89 ASP H 0.000 . 3.500 3.073 2.747 3.458 . 0 0 "[ . 1 . 2]" 1
612 1 50 GLY HA3 1 90 ALA H 0.000 . 5.000 4.049 3.844 4.186 . 0 0 "[ . 1 . 2]" 1
613 1 50 GLY HA2 1 51 TRP H 0.000 . 3.500 3.265 3.189 3.341 . 0 0 "[ . 1 . 2]" 1
614 1 50 GLY HA2 1 89 ASP H 0.000 . 5.000 4.675 4.436 4.941 . 0 0 "[ . 1 . 2]" 1
615 1 50 GLY HA2 1 90 ALA H 0.000 . 5.000 4.920 4.613 5.017 0.017 3 0 "[ . 1 . 2]" 1
616 1 51 TRP HA 1 51 TRP HE3 0.000 . 3.500 2.748 2.650 2.819 . 0 0 "[ . 1 . 2]" 1
617 1 51 TRP HA 1 52 MET H 0.000 . 2.700 2.333 2.215 2.472 . 0 0 "[ . 1 . 2]" 1
618 1 51 TRP HA 1 57 VAL MG1 0.000 . 5.000 3.545 3.430 3.692 . 0 0 "[ . 1 . 2]" 1
619 1 51 TRP HA 1 58 GLY H 0.000 . 5.000 4.193 3.989 4.419 . 0 0 "[ . 1 . 2]" 1
620 1 51 TRP HB2 1 51 TRP HD1 0.000 . 2.700 2.573 2.563 2.581 . 0 0 "[ . 1 . 2]" 1
621 1 51 TRP H 1 51 TRP HB2 0.000 . 2.700 2.327 2.280 2.372 . 0 0 "[ . 1 . 2]" 1
622 1 51 TRP HB2 1 52 MET H 0.000 . 5.000 3.895 3.656 4.116 . 0 0 "[ . 1 . 2]" 1
623 1 51 TRP HB2 1 91 TYR H 0.000 . 5.000 3.587 3.439 3.809 . 0 0 "[ . 1 . 2]" 1
624 1 16 TYR QD 1 51 TRP HB3 0.000 . 2.700 2.671 2.491 2.722 0.022 4 0 "[ . 1 . 2]" 1
625 1 51 TRP HB3 1 51 TRP HD1 0.000 . 4.000 3.713 3.690 3.730 . 0 0 "[ . 1 . 2]" 1
626 1 51 TRP HB3 1 51 TRP HE3 0.000 . 3.500 2.751 2.716 2.789 . 0 0 "[ . 1 . 2]" 1
627 1 51 TRP HB3 1 52 MET H 0.000 . 5.000 2.584 2.239 2.921 . 0 0 "[ . 1 . 2]" 1
628 1 51 TRP HB3 1 91 TYR H 0.000 . 5.000 4.729 4.572 5.023 0.023 15 0 "[ . 1 . 2]" 1
629 1 51 TRP H 1 51 TRP HD1 0.000 . 3.500 2.915 2.823 3.001 . 0 0 "[ . 1 . 2]" 1
630 1 51 TRP HD1 1 88 TRP H 0.000 . 5.000 4.166 4.055 4.323 . 0 0 "[ . 1 . 2]" 1
631 1 51 TRP HE1 1 86 GLU H 0.000 . 5.000 5.013 4.999 5.022 0.022 12 0 "[ . 1 . 2]" 1
632 1 51 TRP HE1 1 88 TRP H 0.000 . 3.500 3.068 2.918 3.256 . 0 0 "[ . 1 . 2]" 1
633 1 51 TRP HE3 1 52 MET H 0.000 . 5.000 2.510 2.352 2.681 . 0 0 "[ . 1 . 2]" 1
634 1 51 TRP HE3 1 55 GLY H 0.000 . 5.000 4.645 4.460 4.860 . 0 0 "[ . 1 . 2]" 1
635 1 51 TRP HE3 1 56 ARG H 0.000 . 5.000 3.980 3.457 4.215 . 0 0 "[ . 1 . 2]" 1
636 1 51 TRP HH2 1 81 ARG H 0.000 . 5.000 4.862 4.325 5.015 0.015 6 0 "[ . 1 . 2]" 1
637 1 51 TRP HH2 1 83 ASN H 0.000 . 5.000 4.073 3.550 4.445 . 0 0 "[ . 1 . 2]" 1
638 1 51 TRP HH2 1 85 SER H 0.000 . 5.000 4.680 4.249 4.905 . 0 0 "[ . 1 . 2]" 1
639 1 51 TRP HH2 1 86 GLU H 0.000 . 5.000 3.845 3.393 4.017 . 0 0 "[ . 1 . 2]" 1
640 1 51 TRP HZ2 1 85 SER H 0.000 . 5.000 4.790 4.361 5.017 0.017 7 0 "[ . 1 . 2]" 1
641 1 51 TRP HZ2 1 86 GLU H 0.000 . 5.000 2.830 2.614 2.921 . 0 0 "[ . 1 . 2]" 1
642 1 51 TRP HZ2 1 88 TRP HD1 0.000 . 3.500 2.878 2.740 2.994 . 0 0 "[ . 1 . 2]" 1
643 1 51 TRP HZ2 1 88 TRP HE1 0.000 . 5.000 3.357 3.009 3.627 . 0 0 "[ . 1 . 2]" 1
644 1 16 TYR QD 1 51 TRP HZ3 0.000 . 5.000 3.877 3.736 3.994 . 0 0 "[ . 1 . 2]" 1
645 1 51 TRP HZ3 1 52 MET H 0.000 . 5.000 4.729 4.616 4.823 . 0 0 "[ . 1 . 2]" 1
646 1 51 TRP HZ3 1 55 GLY H 0.000 . 5.000 5.028 5.017 5.048 0.048 16 0 "[ . 1 . 2]" 1
647 1 51 TRP HZ3 1 81 ARG H 0.000 . 5.000 4.777 4.258 5.005 0.005 18 0 "[ . 1 . 2]" 1
648 1 51 TRP HZ3 1 84 ARG HA 0.000 . 5.000 3.755 3.376 4.020 . 0 0 "[ . 1 . 2]" 1
649 1 52 MET HA 1 53 ALA H 0.000 . 2.700 2.531 2.395 2.597 . 0 0 "[ . 1 . 2]" 1
650 1 32 THR H 1 52 MET HB3 0.000 . 5.000 4.507 4.235 5.015 0.015 12 0 "[ . 1 . 2]" 1
651 1 52 MET HB3 1 53 ALA H 0.000 . 3.500 3.220 3.101 3.500 . 0 0 "[ . 1 . 2]" 1
652 1 32 THR H 1 52 MET HB2 0.000 . 5.000 4.860 4.661 5.017 0.017 20 0 "[ . 1 . 2]" 1
653 1 52 MET HB2 1 53 ALA H 0.000 . 3.500 2.245 2.101 2.583 . 0 0 "[ . 1 . 2]" 1
654 1 52 MET HB2 1 56 ARG H 0.000 . 5.000 4.828 4.166 5.029 0.029 7 0 "[ . 1 . 2]" 1
655 1 33 TYR H 1 52 MET ME 0.000 . 5.000 4.165 3.376 4.952 . 0 0 "[ . 1 . 2]" 1
656 1 52 MET ME 1 58 GLY H 0.000 . 5.000 2.515 1.865 3.104 . 0 0 "[ . 1 . 2]" 1
657 1 52 MET ME 1 59 TYR H 0.000 . 5.000 4.433 3.883 5.002 0.002 7 0 "[ . 1 . 2]" 1
658 1 52 MET H 1 52 MET HG3 0.000 . 5.000 2.939 2.320 3.997 . 0 0 "[ . 1 . 2]" 1
659 1 52 MET HG3 1 53 ALA H 0.000 . 5.000 4.301 3.899 4.608 . 0 0 "[ . 1 . 2]" 1
660 1 52 MET HG3 1 58 GLY H 0.000 . 5.000 3.620 2.921 4.718 . 0 0 "[ . 1 . 2]" 1
661 1 52 MET H 1 52 MET HG2 0.000 . 5.000 3.009 2.322 3.954 . 0 0 "[ . 1 . 2]" 1
662 1 52 MET HG2 1 53 ALA H 0.000 . 5.000 4.769 4.071 4.958 . 0 0 "[ . 1 . 2]" 1
663 1 52 MET HG2 1 58 GLY H 0.000 . 5.000 3.262 2.928 4.439 . 0 0 "[ . 1 . 2]" 1
664 1 52 MET H 1 53 ALA H 0.000 . 5.000 4.358 4.336 4.375 . 0 0 "[ . 1 . 2]" 1
665 1 52 MET H 1 56 ARG H 0.000 . 5.000 3.772 3.435 3.915 . 0 0 "[ . 1 . 2]" 1
666 1 53 ALA HA 1 54 LYS HA 0.000 . 5.000 4.414 4.320 4.582 . 0 0 "[ . 1 . 2]" 1
667 1 53 ALA HA 1 54 LYS H 0.000 . 2.700 2.600 2.338 2.747 0.047 14 0 "[ . 1 . 2]" 1
668 1 53 ALA HA 1 55 GLY H 0.000 . 5.000 3.778 3.145 4.161 . 0 0 "[ . 1 . 2]" 1
669 1 53 ALA HA 1 56 ARG H 0.000 . 5.000 4.646 4.399 4.978 . 0 0 "[ . 1 . 2]" 1
670 1 33 TYR H 1 53 ALA MB 0.000 . 5.000 3.789 2.979 4.961 . 0 0 "[ . 1 . 2]" 1
671 1 53 ALA H 1 53 ALA MB 0.000 . 2.700 2.531 2.126 2.773 0.073 4 0 "[ . 1 . 2]" 1
672 1 53 ALA MB 1 54 LYS H 0.000 . 3.500 2.194 2.043 2.553 . 0 0 "[ . 1 . 2]" 1
673 1 53 ALA MB 1 55 GLY H 0.000 . 5.000 3.034 2.287 4.184 . 0 0 "[ . 1 . 2]" 1
674 1 53 ALA H 1 54 LYS H 0.000 . 5.000 4.629 4.620 4.646 . 0 0 "[ . 1 . 2]" 1
675 1 53 ALA H 1 55 GLY H 0.000 . 5.000 4.742 4.613 5.008 0.008 15 0 "[ . 1 . 2]" 1
676 1 54 LYS H 1 54 LYS HA 0.000 . 3.000 2.605 2.270 2.835 . 0 0 "[ . 1 . 2]" 1
677 1 54 LYS HA 1 55 GLY H 0.000 . 3.500 3.360 3.101 3.509 0.009 20 0 "[ . 1 . 2]" 1
678 1 54 LYS HA 1 54 LYS HB3 0.000 . 3.000 2.797 2.461 2.890 . 0 0 "[ . 1 . 2]" 1
679 1 54 LYS HB3 1 55 GLY H 0.000 . 5.000 3.661 3.158 4.176 . 0 0 "[ . 1 . 2]" 1
680 1 54 LYS HB3 1 56 ARG H 0.000 . 5.000 4.494 3.125 5.016 0.016 19 0 "[ . 1 . 2]" 1
681 1 54 LYS HA 1 54 LYS HB2 0.000 . 3.000 2.874 2.801 3.021 0.021 12 0 "[ . 1 . 2]" 1
682 1 54 LYS HB2 1 55 GLY H 0.000 . 5.000 3.614 2.868 4.001 . 0 0 "[ . 1 . 2]" 1
683 1 54 LYS HB2 1 56 ARG H 0.000 . 5.000 4.444 3.030 5.012 0.012 5 0 "[ . 1 . 2]" 1
684 1 54 LYS H 1 54 LYS QD 0.000 . 5.000 4.177 3.033 4.746 . 0 0 "[ . 1 . 2]" 1
685 1 54 LYS HA 1 54 LYS QG 0.000 . 3.500 2.159 2.011 2.674 . 0 0 "[ . 1 . 2]" 1
686 1 54 LYS H 1 54 LYS QG 0.000 . 5.000 3.487 2.858 4.009 . 0 0 "[ . 1 . 2]" 1
687 1 54 LYS H 1 56 ARG H 0.000 . 5.000 4.132 3.621 4.898 . 0 0 "[ . 1 . 2]" 1
688 1 55 GLY HA2 1 56 ARG H 0.000 . 3.500 3.426 3.386 3.501 0.001 15 0 "[ . 1 . 2]" 1
689 1 16 TYR QD 1 55 GLY HA3 0.000 . 2.700 2.673 2.584 2.720 0.020 18 0 "[ . 1 . 2]" 1
690 1 51 TRP HE3 1 55 GLY HA3 0.000 . 3.500 3.224 3.000 3.521 0.021 17 0 "[ . 1 . 2]" 1
691 1 51 TRP HZ3 1 55 GLY HA3 0.000 . 3.500 3.124 2.893 3.446 . 0 0 "[ . 1 . 2]" 1
692 1 55 GLY H 1 55 GLY HA3 0.000 . 2.700 2.576 2.299 2.709 0.009 7 0 "[ . 1 . 2]" 1
693 1 55 GLY HA3 1 56 ARG H 0.000 . 5.000 3.075 2.900 3.140 . 0 0 "[ . 1 . 2]" 1
694 1 54 LYS H 1 55 GLY H 0.000 . 3.500 2.830 2.607 3.112 . 0 0 "[ . 1 . 2]" 1
695 1 56 ARG HA 1 57 VAL H 0.000 . 3.500 2.243 2.149 2.417 . 0 0 "[ . 1 . 2]" 1
696 1 56 ARG HA 1 81 ARG H 0.000 . 5.000 4.348 3.814 4.846 . 0 0 "[ . 1 . 2]" 1
697 1 55 GLY H 1 56 ARG QB 0.000 . 5.000 3.683 3.308 4.380 . 0 0 "[ . 1 . 2]" 1
698 1 56 ARG QB 1 56 ARG HE 0.000 . 5.000 3.054 1.633 4.109 . 0 0 "[ . 1 . 2]" 1
699 1 56 ARG H 1 56 ARG QB 0.000 . 2.700 2.337 2.140 2.718 0.018 3 0 "[ . 1 . 2]" 1
700 1 56 ARG QB 1 57 VAL H 0.000 . 5.000 2.993 2.351 3.427 . 0 0 "[ . 1 . 2]" 1
701 1 56 ARG QB 1 80 ILE MD 0.000 . 5.000 3.776 3.041 4.519 . 0 0 "[ . 1 . 2]" 1
702 1 56 ARG H 1 56 ARG HD3 0.000 . 5.000 4.741 3.159 5.760 0.760 15 2 "[ . 1- + 2]" 1
703 1 56 ARG H 1 56 ARG QG 0.000 . 3.500 3.006 2.167 3.521 0.021 14 0 "[ . 1 . 2]" 1
704 1 56 ARG QG 1 57 VAL H 0.000 . 3.500 3.421 2.961 3.530 0.030 14 0 "[ . 1 . 2]" 1
705 1 55 GLY H 1 56 ARG H 0.000 . 2.700 1.782 1.554 2.614 . 0 0 "[ . 1 . 2]" 1
706 1 52 MET H 1 57 VAL HA 0.000 . 5.000 3.359 3.040 3.733 . 0 0 "[ . 1 . 2]" 1
707 1 57 VAL HA 1 58 GLY H 0.000 . 2.700 2.152 2.138 2.184 . 0 0 "[ . 1 . 2]" 1
708 1 51 TRP HE1 1 57 VAL HB 0.000 . 5.000 4.964 4.762 5.026 0.026 5 0 "[ . 1 . 2]" 1
709 1 51 TRP HE3 1 57 VAL HB 0.000 . 5.000 3.070 2.845 3.308 . 0 0 "[ . 1 . 2]" 1
710 1 51 TRP HH2 1 57 VAL HB 0.000 . 5.000 4.997 4.914 5.029 0.029 7 0 "[ . 1 . 2]" 1
711 1 51 TRP HZ3 1 57 VAL HB 0.000 . 5.000 4.143 4.049 4.247 . 0 0 "[ . 1 . 2]" 1
712 1 57 VAL H 1 57 VAL HB 0.000 . 3.500 3.540 3.484 3.648 0.148 13 0 "[ . 1 . 2]" 1
713 1 57 VAL HB 1 58 GLY H 0.000 . 5.000 3.997 3.779 4.251 . 0 0 "[ . 1 . 2]" 1
714 1 16 TYR QD 1 57 VAL MG1 0.000 . 5.000 5.042 5.016 5.069 0.069 13 0 "[ . 1 . 2]" 1
715 1 51 TRP HE1 1 57 VAL MG1 0.000 . 5.000 4.633 4.296 4.836 . 0 0 "[ . 1 . 2]" 1
716 1 51 TRP HE3 1 57 VAL MG1 0.000 . 3.500 3.037 2.919 3.257 . 0 0 "[ . 1 . 2]" 1
717 1 51 TRP HH2 1 57 VAL MG1 0.000 . 5.000 3.068 2.945 3.231 . 0 0 "[ . 1 . 2]" 1
718 1 51 TRP HZ3 1 57 VAL MG1 0.000 . 3.500 2.544 2.384 2.780 . 0 0 "[ . 1 . 2]" 1
719 1 52 MET H 1 57 VAL MG1 0.000 . 5.000 4.427 4.267 4.688 . 0 0 "[ . 1 . 2]" 1
720 1 57 VAL MG1 1 58 GLY H 0.000 . 5.000 4.325 4.251 4.379 . 0 0 "[ . 1 . 2]" 1
721 1 57 VAL MG1 1 81 ARG H 0.000 . 5.000 4.136 3.735 4.556 . 0 0 "[ . 1 . 2]" 1
722 1 57 VAL MG1 1 88 TRP HD1 0.000 . 3.500 3.138 2.705 3.509 0.009 16 0 "[ . 1 . 2]" 1
723 1 57 VAL MG1 1 88 TRP HE1 0.000 . 5.000 2.923 2.490 3.193 . 0 0 "[ . 1 . 2]" 1
724 1 49 ALA MB 1 57 VAL MG2 0.000 . 3.500 2.019 1.902 2.148 . 0 0 "[ . 1 . 2]" 1
725 1 50 GLY H 1 57 VAL MG2 0.000 . 5.000 3.052 2.705 3.421 . 0 0 "[ . 1 . 2]" 1
726 1 52 MET H 1 57 VAL MG2 0.000 . 5.000 4.904 4.756 5.009 0.009 12 0 "[ . 1 . 2]" 1
727 1 57 VAL MG2 1 58 GLY H 0.000 . 3.500 2.773 2.383 3.191 . 0 0 "[ . 1 . 2]" 1
728 1 57 VAL MG2 1 59 TYR QD 0.000 . 3.500 3.483 3.303 3.540 0.040 13 0 "[ . 1 . 2]" 1
729 1 57 VAL MG2 1 59 TYR QE 0.000 . 3.500 3.071 2.728 3.383 . 0 0 "[ . 1 . 2]" 1
730 1 57 VAL MG2 1 88 TRP HE3 0.000 . 5.000 4.492 4.250 4.752 . 0 0 "[ . 1 . 2]" 1
731 1 57 VAL H 1 58 GLY H 0.000 . 5.000 4.191 3.768 4.409 . 0 0 "[ . 1 . 2]" 1
732 1 57 VAL H 1 81 ARG H 0.000 . 5.000 4.967 4.768 5.028 0.028 4 0 "[ . 1 . 2]" 1
733 1 58 GLY HA3 1 59 TYR H 0.000 . 2.700 2.674 2.584 2.719 0.019 20 0 "[ . 1 . 2]" 1
734 1 58 GLY HA3 1 78 TYR H 0.000 . 5.000 3.657 3.337 3.905 . 0 0 "[ . 1 . 2]" 1
735 1 50 GLY H 1 58 GLY HA2 0.000 . 5.000 4.844 4.681 5.085 0.085 14 0 "[ . 1 . 2]" 1
736 1 58 GLY HA2 1 59 TYR H 0.000 . 2.700 2.465 2.423 2.542 . 0 0 "[ . 1 . 2]" 1
737 1 58 GLY HA2 1 77 ASP HA 0.000 . 5.000 2.527 2.250 2.916 . 0 0 "[ . 1 . 2]" 1
738 1 58 GLY HA2 1 78 TYR H 0.000 . 5.000 4.449 4.236 4.774 . 0 0 "[ . 1 . 2]" 1
739 1 50 GLY H 1 58 GLY H 0.000 . 3.500 3.508 3.474 3.524 0.024 16 0 "[ . 1 . 2]" 1
740 1 58 GLY H 1 59 TYR H 0.000 . 5.000 4.378 4.351 4.407 . 0 0 "[ . 1 . 2]" 1
741 1 48 ALA H 1 59 TYR HB3 0.000 . 5.000 3.571 3.285 4.086 . 0 0 "[ . 1 . 2]" 1
742 1 48 ALA H 1 59 TYR HB2 0.000 . 5.000 4.925 4.407 5.023 0.023 17 0 "[ . 1 . 2]" 1
743 1 49 ALA MB 1 59 TYR QE 0.000 . 5.000 1.882 1.700 2.176 . 0 0 "[ . 1 . 2]" 1
744 1 59 TYR QE 1 78 TYR H 0.000 . 5.000 4.956 4.743 5.016 0.016 11 0 "[ . 1 . 2]" 1
745 1 59 TYR H 1 76 ILE H 0.000 . 3.500 2.823 2.344 3.111 . 0 0 "[ . 1 . 2]" 1
746 1 6 GLU HA 1 7 ALA H 0.000 . 2.700 2.627 2.495 2.729 0.029 14 0 "[ . 1 . 2]" 1
747 1 6 GLU HB3 1 11 LYS H 0.000 . 5.000 5.166 4.527 5.561 0.561 6 6 "[ *.+ ** .* - 2]" 1
748 1 6 GLU H 1 6 GLU HB3 0.000 . 3.500 2.786 2.493 3.245 . 0 0 "[ . 1 . 2]" 1
749 1 6 GLU HB3 1 7 ALA H 0.000 . 3.500 3.452 2.106 3.541 0.041 19 0 "[ . 1 . 2]" 1
750 1 6 GLU H 1 6 GLU HB2 0.000 . 4.000 3.489 2.564 3.811 . 0 0 "[ . 1 . 2]" 1
751 1 6 GLU HB2 1 7 ALA H 0.000 . 3.500 2.698 1.952 3.563 0.063 18 0 "[ . 1 . 2]" 1
752 1 6 GLU HG3 1 10 GLY H 0.000 . 5.000 4.759 4.230 5.013 0.013 19 0 "[ . 1 . 2]" 1
753 1 6 GLU HG3 1 11 LYS H 0.000 . 5.000 3.814 3.214 4.858 . 0 0 "[ . 1 . 2]" 1
754 1 6 GLU HG2 1 10 GLY H 0.000 . 5.000 4.137 3.493 4.894 . 0 0 "[ . 1 . 2]" 1
755 1 6 GLU HG2 1 11 LYS H 0.000 . 5.000 4.539 3.878 5.010 0.010 1 0 "[ . 1 . 2]" 1
756 1 6 GLU H 1 6 GLU HG2 0.000 . 5.000 3.723 2.974 4.872 . 0 0 "[ . 1 . 2]" 1
757 1 6 GLU HG2 1 7 ALA H 0.000 . 5.000 2.387 1.819 3.271 . 0 0 "[ . 1 . 2]" 1
758 1 5 ARG H 1 6 GLU H 0.000 . 5.000 4.347 4.269 4.392 . 0 0 "[ . 1 . 2]" 1
759 1 60 PRO HA 1 76 ILE H 0.000 . 5.000 3.240 2.631 3.565 . 0 0 "[ . 1 . 2]" 1
760 1 60 PRO HB3 1 61 ILE H 0.000 . 5.000 3.693 2.991 4.124 . 0 0 "[ . 1 . 2]" 1
761 1 60 PRO HB2 1 61 ILE H 0.000 . 5.000 3.142 1.409 4.186 . 0 0 "[ . 1 . 2]" 1
762 1 60 PRO QD 1 91 TYR HH 0.000 . 5.000 2.931 2.316 3.789 . 0 0 "[ . 1 . 2]" 1
763 1 45 HIS HD2 1 61 ILE HA 0.000 . 3.500 3.504 3.480 3.519 0.019 10 0 "[ . 1 . 2]" 1
764 1 45 HIS HE1 1 61 ILE HA 0.000 . 5.000 4.029 3.398 4.708 . 0 0 "[ . 1 . 2]" 1
765 1 46 VAL H 1 61 ILE HA 0.000 . 3.500 3.481 3.287 3.540 0.040 7 0 "[ . 1 . 2]" 1
766 1 61 ILE HA 1 62 VAL H 0.000 . 3.500 2.176 2.145 2.307 . 0 0 "[ . 1 . 2]" 1
767 1 61 ILE HA 1 63 LYS H 0.000 . 5.000 3.778 3.308 4.764 . 0 0 "[ . 1 . 2]" 1
768 1 61 ILE HB 1 74 GLY H 0.000 . 5.000 4.286 2.728 5.001 0.001 3 0 "[ . 1 . 2]" 1
769 1 45 HIS HD2 1 61 ILE MD 0.000 . 3.500 2.847 2.347 3.485 . 0 0 "[ . 1 . 2]" 1
770 1 45 HIS HE1 1 61 ILE MD 0.000 . 3.500 3.511 3.503 3.533 0.033 17 0 "[ . 1 . 2]" 1
771 1 46 VAL H 1 61 ILE MD 0.000 . 5.000 3.161 2.677 3.889 . 0 0 "[ . 1 . 2]" 1
772 1 47 CYS HA 1 61 ILE MD 0.000 . 3.500 1.655 1.448 2.026 . 0 0 "[ . 1 . 2]" 1
773 1 47 CYS H 1 61 ILE MD 0.000 . 5.000 3.319 3.084 3.519 . 0 0 "[ . 1 . 2]" 1
774 1 48 ALA H 1 61 ILE MD 0.000 . 5.000 3.229 2.794 4.183 . 0 0 "[ . 1 . 2]" 1
775 1 61 ILE HA 1 61 ILE MD 0.000 . 3.500 2.285 2.140 2.403 . 0 0 "[ . 1 . 2]" 1
776 1 61 ILE MD 1 61 ILE MG 0.000 . 3.500 1.676 1.507 1.872 . 0 0 "[ . 1 . 2]" 1
777 1 61 ILE MD 1 62 VAL H 0.000 . 5.000 3.889 3.549 4.078 . 0 0 "[ . 1 . 2]" 1
778 1 45 HIS HE1 1 61 ILE MG 0.000 . 2.700 2.299 2.168 2.475 . 0 0 "[ . 1 . 2]" 1
779 1 47 CYS H 1 61 ILE MG 0.000 . 5.000 5.019 5.007 5.045 0.045 17 0 "[ . 1 . 2]" 1
780 1 61 ILE HA 1 61 ILE MG 0.000 . 3.500 2.388 2.320 2.451 . 0 0 "[ . 1 . 2]" 1
781 1 60 PRO HA 1 61 ILE H 0.000 . 3.500 2.558 2.146 3.512 0.012 11 0 "[ . 1 . 2]" 1
782 1 61 ILE H 1 62 VAL HA 0.000 . 5.000 4.761 4.511 5.042 0.042 15 0 "[ . 1 . 2]" 1
783 1 62 VAL HB 1 63 LYS H 0.000 . 3.500 3.160 1.908 3.539 0.039 17 0 "[ . 1 . 2]" 1
784 1 43 GLY H 1 62 VAL QG 0.000 . 5.000 3.612 3.111 3.990 . 0 0 "[ . 1 . 2]" 1
785 1 46 VAL H 1 62 VAL QG 0.000 . 5.000 4.436 3.817 5.022 0.022 2 0 "[ . 1 . 2]" 1
786 1 62 VAL QG 1 63 LYS H 0.000 . 3.500 2.611 1.820 3.315 . 0 0 "[ . 1 . 2]" 1
787 1 43 GLY HA2 1 62 VAL QG 0.000 . 5.000 4.358 3.629 4.611 . 0 0 "[ . 1 . 2]" 1
788 1 43 GLY HA3 1 62 VAL QG 0.000 . 3.500 3.096 2.424 3.302 . 0 0 "[ . 1 . 2]" 1
789 1 45 HIS QB 1 62 VAL QG 0.000 . 3.500 1.801 1.605 2.352 . 0 0 "[ . 1 . 2]" 1
790 1 45 HIS H 1 62 VAL QG 0.000 . 5.000 3.951 3.020 4.533 . 0 0 "[ . 1 . 2]" 1
791 1 62 VAL H 1 63 LYS H 0.000 . 3.500 2.446 1.986 3.048 . 0 0 "[ . 1 . 2]" 1
792 1 45 HIS HE1 1 63 LYS HB3 0.000 . 5.000 3.487 1.946 4.921 . 0 0 "[ . 1 . 2]" 1
793 1 63 LYS HA 1 63 LYS HB3 0.000 . 2.700 2.737 2.278 3.016 0.316 13 0 "[ . 1 . 2]" 1
794 1 63 LYS H 1 63 LYS HB3 0.000 . 3.500 3.301 2.787 3.521 0.021 4 0 "[ . 1 . 2]" 1
795 1 45 HIS HE1 1 63 LYS HB2 0.000 . 5.000 3.329 1.912 4.400 . 0 0 "[ . 1 . 2]" 1
796 1 63 LYS QE 1 63 LYS QG 0.000 . 2.700 2.097 1.950 2.360 . 0 0 "[ . 1 . 2]" 1
797 1 63 LYS H 1 63 LYS QG 0.000 . 5.000 3.458 1.663 4.197 . 0 0 "[ . 1 . 2]" 1
798 1 63 LYS HA 1 64 PRO QD 0.000 . 2.700 1.967 1.786 2.106 . 0 0 "[ . 1 . 2]" 1
799 1 64 PRO QD 1 73 THR MG 0.000 . 3.500 3.331 2.440 3.509 0.009 17 0 "[ . 1 . 2]" 1
800 1 64 PRO HG3 1 73 THR MG 0.000 . 3.500 2.686 1.921 3.504 0.004 3 0 "[ . 1 . 2]" 1
801 1 65 GLY HA3 1 66 PRO HD3 0.000 . 2.700 2.734 1.919 3.351 0.651 13 4 "[ * 1 + . * -]" 1
802 1 65 GLY HA3 1 66 PRO HD2 0.000 . 3.500 3.065 2.223 3.930 0.430 5 0 "[ . 1 . 2]" 1
803 1 66 PRO HA 1 67 ASN H 0.000 . 5.000 3.529 3.481 3.572 . 0 0 "[ . 1 . 2]" 1
804 1 66 PRO HA 1 68 CYS H 0.000 . 5.000 4.560 3.713 5.002 0.002 6 0 "[ . 1 . 2]" 1
805 1 66 PRO HA 1 70 PHE H 0.000 . 5.000 4.757 4.012 5.049 0.049 19 0 "[ . 1 . 2]" 1
806 1 66 PRO HB3 1 67 ASN H 0.000 . 3.500 3.568 3.356 4.133 0.633 19 1 "[ . 1 . +2]" 1
807 1 66 PRO HB2 1 67 ASN H 0.000 . 5.000 2.356 1.912 3.493 . 0 0 "[ . 1 . 2]" 1
808 1 66 PRO HD3 1 67 ASN H 0.000 . 5.000 3.972 3.509 4.253 . 0 0 "[ . 1 . 2]" 1
809 1 66 PRO HD3 1 68 CYS H 0.000 . 5.000 4.520 3.930 5.104 0.104 19 0 "[ . 1 . 2]" 1
810 1 66 PRO HD2 1 67 ASN HD21 0.000 . 5.000 4.427 3.157 5.136 0.136 14 0 "[ . 1 . 2]" 1
811 1 66 PRO HD2 1 67 ASN H 0.000 . 3.500 2.993 2.107 3.512 0.012 11 0 "[ . 1 . 2]" 1
812 1 66 PRO HD2 1 68 CYS H 0.000 . 5.000 3.039 2.202 4.240 . 0 0 "[ . 1 . 2]" 1
813 1 66 PRO HD3 1 66 PRO HG3 0.000 . 2.700 2.289 2.245 2.310 . 0 0 "[ . 1 . 2]" 1
814 1 66 PRO HG3 1 68 CYS H 0.000 . 5.000 4.600 4.092 5.020 0.020 10 0 "[ . 1 . 2]" 1
815 1 66 PRO HG2 1 68 CYS H 0.000 . 5.000 3.036 2.587 3.660 . 0 0 "[ . 1 . 2]" 1
816 1 67 ASN HA 1 68 CYS H 0.000 . 5.000 3.353 3.060 3.464 . 0 0 "[ . 1 . 2]" 1
817 1 67 ASN HA 1 70 PHE H 0.000 . 5.000 3.835 3.024 5.004 0.004 16 0 "[ . 1 . 2]" 1
818 1 67 ASN H 1 67 ASN HB3 0.000 . 3.500 3.181 2.235 3.695 0.195 19 0 "[ . 1 . 2]" 1
819 1 67 ASN HB3 1 68 CYS H 0.000 . 5.000 4.262 3.631 4.594 . 0 0 "[ . 1 . 2]" 1
820 1 67 ASN H 1 67 ASN HB2 0.000 . 3.500 3.414 2.842 3.565 0.065 10 0 "[ . 1 . 2]" 1
821 1 67 ASN H 1 67 ASN HD22 0.000 . 5.000 3.227 2.711 5.075 0.075 19 0 "[ . 1 . 2]" 1
822 1 68 CYS HA 1 69 GLY H 0.000 . 3.500 3.253 2.657 3.539 0.039 12 0 "[ . 1 . 2]" 1
823 1 68 CYS H 1 68 CYS HB3 0.000 . 3.500 3.062 2.384 3.464 . 0 0 "[ . 1 . 2]" 1
824 1 68 CYS H 1 68 CYS HB2 0.000 . 3.500 2.340 2.071 3.596 0.096 19 0 "[ . 1 . 2]" 1
825 1 67 ASN H 1 68 CYS H 0.000 . 2.700 2.191 1.829 2.746 0.046 19 0 "[ . 1 . 2]" 1
826 1 69 GLY HA3 1 70 PHE H 0.000 . 5.000 3.267 2.528 3.549 . 0 0 "[ . 1 . 2]" 1
827 1 67 ASN H 1 69 GLY H 0.000 . 5.000 4.432 3.419 5.000 . 0 0 "[ . 1 . 2]" 1
828 1 68 CYS H 1 69 GLY H 0.000 . 5.000 2.835 2.046 3.248 . 0 0 "[ . 1 . 2]" 1
829 1 69 GLY H 1 70 PHE H 0.000 . 3.500 2.129 1.504 2.638 . 0 0 "[ . 1 . 2]" 1
830 1 69 GLY H 1 71 GLY H 0.000 . 5.000 4.182 3.550 4.999 . 0 0 "[ . 1 . 2]" 1
831 1 7 ALA HA 1 8 ARG H 0.000 . 2.700 2.341 2.271 2.704 0.004 14 0 "[ . 1 . 2]" 1
832 1 7 ALA MB 1 10 GLY H 0.000 . 3.500 2.123 1.885 2.349 . 0 0 "[ . 1 . 2]" 1
833 1 7 ALA MB 1 14 LEU QD 0.000 . 3.500 2.242 1.677 2.436 . 0 0 "[ . 1 . 2]" 1
834 1 6 GLU HA 1 7 ALA MB 0.000 . 5.000 4.086 3.995 4.319 . 0 0 "[ . 1 . 2]" 1
835 1 7 ALA H 1 7 ALA MB 0.000 . 2.700 2.198 2.081 2.320 . 0 0 "[ . 1 . 2]" 1
836 1 7 ALA MB 1 8 ARG H 0.000 . 3.500 2.634 2.091 2.804 . 0 0 "[ . 1 . 2]" 1
837 1 7 ALA MB 1 9 SER H 0.000 . 3.500 2.299 2.088 2.511 . 0 0 "[ . 1 . 2]" 1
838 1 70 PHE HA 1 70 PHE QD 0.000 . 2.700 2.464 2.039 2.700 0.000 19 0 "[ . 1 . 2]" 1
839 1 70 PHE H 1 70 PHE HA 0.000 . 2.700 2.322 2.272 2.743 0.043 16 0 "[ . 1 . 2]" 1
840 1 70 PHE HA 1 71 GLY H 0.000 . 5.000 2.917 2.214 3.569 . 0 0 "[ . 1 . 2]" 1
841 1 70 PHE HB3 1 70 PHE QD 0.000 . 2.700 2.399 2.262 2.706 0.006 12 0 "[ . 1 . 2]" 1
842 1 70 PHE HB2 1 70 PHE QD 0.000 . 2.700 2.468 2.264 2.718 0.018 17 0 "[ . 1 . 2]" 1
843 1 70 PHE H 1 70 PHE HB2 0.000 . 3.500 3.131 2.193 3.507 0.007 15 0 "[ . 1 . 2]" 1
844 1 70 PHE H 1 70 PHE QD 0.000 . 5.000 3.771 3.192 4.442 . 0 0 "[ . 1 . 2]" 1
845 1 68 CYS H 1 70 PHE H 0.000 . 5.000 3.721 2.977 4.722 . 0 0 "[ . 1 . 2]" 1
846 1 71 GLY HA3 1 72 LYS H 0.000 . 5.000 3.016 2.451 3.230 . 0 0 "[ . 1 . 2]" 1
847 1 71 GLY HA2 1 72 LYS H 0.000 . 5.000 3.444 3.318 3.560 . 0 0 "[ . 1 . 2]" 1
848 1 70 PHE H 1 71 GLY H 0.000 . 3.500 2.788 2.565 3.480 . 0 0 "[ . 1 . 2]" 1
849 1 71 GLY H 1 72 LYS H 0.000 . 3.500 2.496 1.702 2.972 . 0 0 "[ . 1 . 2]" 1
850 1 72 LYS HA 1 73 THR H 0.000 . 2.700 2.391 2.272 2.760 0.060 17 0 "[ . 1 . 2]" 1
851 1 71 GLY H 1 72 LYS QB 0.000 . 5.000 4.527 3.847 5.011 0.011 17 0 "[ . 1 . 2]" 1
852 1 72 LYS HA 1 72 LYS QB 0.000 . 2.700 2.423 2.268 2.531 . 0 0 "[ . 1 . 2]" 1
853 1 72 LYS H 1 72 LYS QB 0.000 . 2.700 2.426 2.172 2.811 0.111 19 0 "[ . 1 . 2]" 1
854 1 72 LYS QB 1 73 THR H 0.000 . 2.700 2.515 2.012 2.730 0.030 18 0 "[ . 1 . 2]" 1
855 1 72 LYS QB 1 74 GLY H 0.000 . 5.000 5.008 4.989 5.022 0.022 9 0 "[ . 1 . 2]" 1
856 1 72 LYS QE 1 78 TYR HE1 0.000 . 5.000 4.307 3.488 5.003 0.003 16 0 "[ . 1 . 2]" 1
857 1 72 LYS HA 1 72 LYS HG2 0.000 . 3.500 2.656 2.218 3.075 . 0 0 "[ . 1 . 2]" 1
858 1 72 LYS H 1 72 LYS HG2 0.000 . 5.000 3.772 2.246 4.736 . 0 0 "[ . 1 . 2]" 1
859 1 72 LYS HG2 1 73 THR H 0.000 . 5.000 3.829 2.265 4.761 . 0 0 "[ . 1 . 2]" 1
860 1 72 LYS HG2 1 76 ILE MD 0.000 . 5.000 3.473 2.207 4.376 . 0 0 "[ . 1 . 2]" 1
861 1 72 LYS H 1 72 LYS HG3 0.000 . 3.500 2.988 2.035 3.523 0.023 17 0 "[ . 1 . 2]" 1
862 1 72 LYS HG3 1 73 THR H 0.000 . 5.000 4.558 3.228 5.014 0.014 10 0 "[ . 1 . 2]" 1
863 1 72 LYS H 1 73 THR H 0.000 . 5.000 4.591 4.531 4.629 . 0 0 "[ . 1 . 2]" 1
864 1 73 THR HA 1 74 GLY H 0.000 . 2.700 2.162 2.149 2.171 . 0 0 "[ . 1 . 2]" 1
865 1 73 THR HA 1 73 THR HB 0.000 . 2.700 2.719 2.701 2.728 0.028 13 0 "[ . 1 . 2]" 1
866 1 73 THR H 1 73 THR HB 0.000 . 3.500 3.530 3.496 3.602 0.102 18 0 "[ . 1 . 2]" 1
867 1 73 THR HB 1 74 GLY H 0.000 . 3.500 3.359 3.302 3.445 . 0 0 "[ . 1 . 2]" 1
868 1 73 THR HA 1 73 THR MG 0.000 . 2.700 2.094 1.971 2.172 . 0 0 "[ . 1 . 2]" 1
869 1 73 THR H 1 73 THR MG 0.000 . 3.500 3.489 3.261 3.565 0.065 18 0 "[ . 1 . 2]" 1
870 1 73 THR MG 1 74 GLY H 0.000 . 3.500 3.364 3.250 3.465 . 0 0 "[ . 1 . 2]" 1
871 1 74 GLY HA3 1 75 ILE H 0.000 . 2.700 2.583 2.419 2.712 0.012 1 0 "[ . 1 . 2]" 1
872 1 74 GLY HA2 1 75 ILE H 0.000 . 2.700 2.561 2.430 2.716 0.016 11 0 "[ . 1 . 2]" 1
873 1 74 GLY H 1 75 ILE H 0.000 . 5.000 4.524 4.418 4.617 . 0 0 "[ . 1 . 2]" 1
874 1 59 TYR H 1 75 ILE HA 0.000 . 5.000 3.939 3.702 4.239 . 0 0 "[ . 1 . 2]" 1
875 1 75 ILE HA 1 75 ILE MG 0.000 . 3.500 2.307 2.241 2.392 . 0 0 "[ . 1 . 2]" 1
876 1 75 ILE HA 1 76 ILE H 0.000 . 2.700 2.165 2.116 2.266 . 0 0 "[ . 1 . 2]" 1
877 1 33 TYR QD 1 75 ILE HB 0.000 . 2.700 2.728 2.716 2.749 0.049 9 0 "[ . 1 . 2]" 1
878 1 33 TYR QE 1 75 ILE HB 0.000 . 2.700 1.361 1.212 1.540 . 0 0 "[ . 1 . 2]" 1
879 1 75 ILE H 1 75 ILE HB 0.000 . 2.700 2.642 2.506 2.738 0.038 4 0 "[ . 1 . 2]" 1
880 1 75 ILE HB 1 76 ILE H 0.000 . 5.000 4.293 4.170 4.363 . 0 0 "[ . 1 . 2]" 1
881 1 33 TYR QD 1 75 ILE MD 0.000 . 5.000 2.553 2.050 3.416 . 0 0 "[ . 1 . 2]" 1
882 1 33 TYR QE 1 75 ILE MD 0.000 . 3.500 3.017 2.214 3.395 . 0 0 "[ . 1 . 2]" 1
883 1 36 LEU H 1 75 ILE MD 0.000 . 5.000 4.142 3.809 5.008 0.008 7 0 "[ . 1 . 2]" 1
884 1 37 GLU HA 1 75 ILE MD 0.000 . 3.500 2.558 2.350 2.812 . 0 0 "[ . 1 . 2]" 1
885 1 37 GLU H 1 75 ILE MD 0.000 . 3.500 3.069 2.787 3.464 . 0 0 "[ . 1 . 2]" 1
886 1 38 ALA H 1 75 ILE MD 0.000 . 5.000 5.000 4.861 5.032 0.032 2 0 "[ . 1 . 2]" 1
887 1 40 ARG H 1 75 ILE MD 0.000 . 5.000 4.612 4.292 4.980 . 0 0 "[ . 1 . 2]" 1
888 1 75 ILE H 1 75 ILE MD 0.000 . 5.000 3.500 1.691 3.949 . 0 0 "[ . 1 . 2]" 1
889 1 75 ILE MD 1 76 ILE H 0.000 . 5.000 5.032 5.002 5.069 0.069 9 0 "[ . 1 . 2]" 1
890 1 75 ILE H 1 75 ILE QG 0.000 . 3.500 2.227 2.009 2.527 . 0 0 "[ . 1 . 2]" 1
891 1 33 TYR QE 1 75 ILE QG 0.000 . 3.500 2.899 2.188 3.331 . 0 0 "[ . 1 . 2]" 1
892 1 60 PRO HA 1 75 ILE QG 0.000 . 3.500 2.330 1.808 3.391 . 0 0 "[ . 1 . 2]" 1
893 1 33 TYR QD 1 75 ILE MG 0.000 . 3.500 1.974 1.729 2.411 . 0 0 "[ . 1 . 2]" 1
894 1 33 TYR QE 1 75 ILE MG 0.000 . 2.700 2.724 2.706 2.756 0.056 18 0 "[ . 1 . 2]" 1
895 1 52 MET ME 1 75 ILE MG 0.000 . 3.500 2.145 1.663 2.838 . 0 0 "[ . 1 . 2]" 1
896 1 59 TYR H 1 75 ILE MG 0.000 . 2.700 2.728 2.706 2.761 0.061 8 0 "[ . 1 . 2]" 1
897 1 75 ILE H 1 75 ILE MG 0.000 . 4.000 3.771 3.739 3.788 . 0 0 "[ . 1 . 2]" 1
898 1 76 ILE HA 1 77 ASP H 0.000 . 2.700 2.314 2.269 2.336 . 0 0 "[ . 1 . 2]" 1
899 1 59 TYR QD 1 76 ILE HB 0.000 . 3.500 1.746 1.468 1.938 . 0 0 "[ . 1 . 2]" 1
900 1 76 ILE HB 1 78 TYR HE1 0.000 . 3.500 3.454 3.231 3.518 0.018 13 0 "[ . 1 . 2]" 1
901 1 72 LYS QB 1 76 ILE MD 0.000 . 2.700 1.827 1.601 2.074 . 0 0 "[ . 1 . 2]" 1
902 1 72 LYS H 1 76 ILE MD 0.000 . 5.000 4.945 4.720 5.018 0.018 9 0 "[ . 1 . 2]" 1
903 1 73 THR H 1 76 ILE MD 0.000 . 5.000 2.810 2.540 3.115 . 0 0 "[ . 1 . 2]" 1
904 1 74 GLY H 1 76 ILE MD 0.000 . 5.000 4.167 3.694 4.428 . 0 0 "[ . 1 . 2]" 1
905 1 76 ILE H 1 76 ILE MD 0.000 . 2.700 2.712 2.670 2.722 0.022 19 0 "[ . 1 . 2]" 1
906 1 76 ILE MD 1 77 ASP H 0.000 . 4.000 3.967 3.877 4.027 0.027 1 0 "[ . 1 . 2]" 1
907 1 76 ILE H 1 76 ILE HG13 0.000 . 5.000 3.672 3.459 3.912 . 0 0 "[ . 1 . 2]" 1
908 1 59 TYR H 1 76 ILE HG12 0.000 . 5.000 4.242 3.916 4.585 . 0 0 "[ . 1 . 2]" 1
909 1 73 THR H 1 76 ILE HG12 0.000 . 5.000 5.059 4.956 5.379 0.379 3 0 "[ . 1 . 2]" 1
910 1 76 ILE H 1 76 ILE HG12 0.000 . 3.500 2.145 1.868 2.480 . 0 0 "[ . 1 . 2]" 1
911 1 59 TYR QD 1 76 ILE MG 0.000 . 2.700 2.632 2.212 2.725 0.025 11 0 "[ . 1 . 2]" 1
912 1 59 TYR QE 1 76 ILE MG 0.000 . 2.700 2.310 1.888 2.709 0.009 2 0 "[ . 1 . 2]" 1
913 1 59 TYR H 1 76 ILE MG 0.000 . 5.000 4.169 4.026 4.340 . 0 0 "[ . 1 . 2]" 1
914 1 76 ILE HA 1 76 ILE MG 0.000 . 3.500 2.257 2.132 2.347 . 0 0 "[ . 1 . 2]" 1
915 1 76 ILE MG 1 77 ASP H 0.000 . 3.500 3.482 3.337 3.517 0.017 3 0 "[ . 1 . 2]" 1
916 1 76 ILE MG 1 78 TYR HE1 0.000 . 2.700 1.936 1.680 2.269 . 0 0 "[ . 1 . 2]" 1
917 1 76 ILE MG 1 78 TYR HH 0.000 . 5.000 2.936 2.136 3.578 . 0 0 "[ . 1 . 2]" 1
918 1 75 ILE MG 1 76 ILE H 0.000 . 5.000 2.893 2.378 3.391 . 0 0 "[ . 1 . 2]" 1
919 1 75 ILE H 1 76 ILE H 0.000 . 5.000 4.334 4.097 4.515 . 0 0 "[ . 1 . 2]" 1
920 1 59 TYR H 1 77 ASP HA 0.000 . 5.000 3.567 3.421 3.785 . 0 0 "[ . 1 . 2]" 1
921 1 77 ASP HA 1 78 TYR H 0.000 . 2.700 2.155 2.138 2.193 . 0 0 "[ . 1 . 2]" 1
922 1 77 ASP HA 1 79 GLY H 0.000 . 5.000 3.656 3.354 4.727 . 0 0 "[ . 1 . 2]" 1
923 1 75 ILE MG 1 77 ASP HB3 0.000 . 5.000 3.455 2.757 4.242 . 0 0 "[ . 1 . 2]" 1
924 1 77 ASP H 1 77 ASP HB3 0.000 . 3.500 2.553 2.336 2.955 . 0 0 "[ . 1 . 2]" 1
925 1 59 TYR H 1 77 ASP HB2 0.000 . 5.000 4.059 3.846 4.484 . 0 0 "[ . 1 . 2]" 1
926 1 77 ASP H 1 77 ASP HB2 0.000 . 2.700 3.009 2.528 3.314 0.614 10 9 "[* *** + *- * *]" 1
927 1 77 ASP HB2 1 78 TYR H 0.000 . 5.000 4.173 3.912 4.517 . 0 0 "[ . 1 . 2]" 1
928 1 78 TYR H 1 78 TYR HB3 0.000 . 3.500 3.645 3.584 3.749 0.249 4 0 "[ . 1 . 2]" 1
929 1 59 TYR H 1 78 TYR HE1 0.000 . 5.000 5.013 5.000 5.031 0.031 8 0 "[ . 1 . 2]" 1
930 1 78 TYR HE1 1 78 TYR HH 0.000 . 3.500 2.890 2.218 3.448 . 0 0 "[ . 1 . 2]" 1
931 1 79 GLY HA3 1 80 ILE H 0.000 . 2.700 2.481 2.438 2.588 . 0 0 "[ . 1 . 2]" 1
932 1 79 GLY HA2 1 80 ILE H 0.000 . 2.700 2.668 2.552 2.717 0.017 4 0 "[ . 1 . 2]" 1
933 1 78 TYR H 1 79 GLY H 0.000 . 3.500 2.532 2.037 2.844 . 0 0 "[ . 1 . 2]" 1
934 1 8 ARG HA 1 10 GLY H 0.000 . 5.000 4.560 4.165 5.015 0.015 16 0 "[ . 1 . 2]" 1
935 1 8 ARG HA 1 8 ARG QB 0.000 . 2.700 2.458 2.326 2.537 . 0 0 "[ . 1 . 2]" 1
936 1 8 ARG HA 1 9 SER H 0.000 . 5.000 3.435 3.396 3.505 . 0 0 "[ . 1 . 2]" 1
937 1 8 ARG QB 1 10 GLY H 0.000 . 5.000 4.820 4.144 5.010 0.010 6 0 "[ . 1 . 2]" 1
938 1 8 ARG H 1 8 ARG QB 0.000 . 2.700 2.257 2.049 2.552 . 0 0 "[ . 1 . 2]" 1
939 1 8 ARG QB 1 9 SER H 0.000 . 3.500 3.005 2.819 3.105 . 0 0 "[ . 1 . 2]" 1
940 1 8 ARG HA 1 8 ARG QD 0.000 . 3.500 2.916 2.016 3.447 . 0 0 "[ . 1 . 2]" 1
941 1 8 ARG H 1 8 ARG QD 0.000 . 5.000 3.551 1.897 4.741 . 0 0 "[ . 1 . 2]" 1
942 1 8 ARG HA 1 8 ARG QG 0.000 . 2.700 2.336 2.080 2.610 . 0 0 "[ . 1 . 2]" 1
943 1 8 ARG H 1 8 ARG QG 0.000 . 3.500 2.888 2.119 3.507 0.007 16 0 "[ . 1 . 2]" 1
944 1 8 ARG QG 1 9 SER H 0.000 . 5.000 4.488 4.049 4.721 . 0 0 "[ . 1 . 2]" 1
945 1 57 VAL H 1 80 ILE HA 0.000 . 5.000 3.923 3.407 4.432 . 0 0 "[ . 1 . 2]" 1
946 1 80 ILE HA 1 80 ILE MG 0.000 . 2.700 2.264 2.141 2.364 . 0 0 "[ . 1 . 2]" 1
947 1 80 ILE HA 1 81 ARG H 0.000 . 2.700 2.176 2.138 2.335 . 0 0 "[ . 1 . 2]" 1
948 1 80 ILE H 1 80 ILE HB 0.000 . 2.700 2.699 2.596 2.796 0.096 16 0 "[ . 1 . 2]" 1
949 1 80 ILE HB 1 81 ARG H 0.000 . 5.000 4.055 3.519 4.360 . 0 0 "[ . 1 . 2]" 1
950 1 54 LYS H 1 80 ILE MD 0.000 . 5.000 4.473 3.117 5.036 0.036 15 0 "[ . 1 . 2]" 1
951 1 55 GLY H 1 80 ILE MD 0.000 . 5.000 3.775 3.079 4.700 . 0 0 "[ . 1 . 2]" 1
952 1 56 ARG HE 1 80 ILE MD 0.000 . 5.000 4.020 2.747 4.991 . 0 0 "[ . 1 . 2]" 1
953 1 56 ARG H 1 80 ILE MD 0.000 . 5.000 3.891 3.397 4.611 . 0 0 "[ . 1 . 2]" 1
954 1 80 ILE H 1 80 ILE MD 0.000 . 3.500 3.250 2.752 3.526 0.026 10 0 "[ . 1 . 2]" 1
955 1 56 ARG H 1 80 ILE HG12 0.000 . 5.000 3.237 2.667 3.785 . 0 0 "[ . 1 . 2]" 1
956 1 80 ILE HG12 1 80 ILE MG 0.000 . 3.500 2.244 2.001 2.533 . 0 0 "[ . 1 . 2]" 1
957 1 80 ILE H 1 80 ILE HG12 0.000 . 3.500 3.158 2.728 3.502 0.002 17 0 "[ . 1 . 2]" 1
958 1 80 ILE HG12 1 81 ARG H 0.000 . 5.000 4.670 4.392 4.896 . 0 0 "[ . 1 . 2]" 1
959 1 80 ILE HG13 1 80 ILE MG 0.000 . 3.500 3.162 3.082 3.198 . 0 0 "[ . 1 . 2]" 1
960 1 80 ILE H 1 80 ILE HG13 0.000 . 2.700 1.817 1.547 1.968 . 0 0 "[ . 1 . 2]" 1
961 1 80 ILE HG13 1 81 ARG H 0.000 . 5.000 4.983 4.804 5.109 0.109 16 0 "[ . 1 . 2]" 1
962 1 80 ILE MG 1 81 ARG H 0.000 . 3.500 2.486 1.578 3.028 . 0 0 "[ . 1 . 2]" 1
963 1 80 ILE MG 1 83 ASN H 0.000 . 5.000 3.284 2.981 3.608 . 0 0 "[ . 1 . 2]" 1
964 1 80 ILE MG 1 84 ARG HE 0.000 . 5.000 4.034 2.403 4.961 . 0 0 "[ . 1 . 2]" 1
965 1 80 ILE MG 1 84 ARG H 0.000 . 5.000 4.841 4.498 5.017 0.017 11 0 "[ . 1 . 2]" 1
966 1 79 GLY H 1 80 ILE H 0.000 . 5.000 4.460 4.345 4.562 . 0 0 "[ . 1 . 2]" 1
967 1 81 ARG HA 1 81 ARG QD 0.000 . 3.500 2.732 1.932 3.478 . 0 0 "[ . 1 . 2]" 1
968 1 81 ARG HA 1 82 LEU H 0.000 . 5.000 3.081 2.944 3.188 . 0 0 "[ . 1 . 2]" 1
969 1 81 ARG HA 1 83 ASN H 0.000 . 5.000 4.720 4.392 4.999 . 0 0 "[ . 1 . 2]" 1
970 1 81 ARG QB 1 81 ARG HE 0.000 . 5.000 3.209 1.956 4.238 . 0 0 "[ . 1 . 2]" 1
971 1 81 ARG H 1 81 ARG QB 0.000 . 3.500 2.484 2.131 2.808 . 0 0 "[ . 1 . 2]" 1
972 1 81 ARG QB 1 83 ASN H 0.000 . 5.000 3.416 3.040 3.829 . 0 0 "[ . 1 . 2]" 1
973 1 81 ARG H 1 81 ARG QD 0.000 . 5.000 4.137 2.060 4.747 . 0 0 "[ . 1 . 2]" 1
974 1 81 ARG H 1 81 ARG HG3 0.000 . 5.000 3.578 2.984 4.177 . 0 0 "[ . 1 . 2]" 1
975 1 81 ARG H 1 81 ARG HG2 0.000 . 3.500 2.845 2.077 4.047 0.547 11 1 "[ . 1+ . 2]" 1
976 1 80 ILE H 1 81 ARG H 0.000 . 5.000 4.510 4.315 4.634 . 0 0 "[ . 1 . 2]" 1
977 1 82 LEU HA 1 82 LEU MD1 0.000 . 3.500 2.277 1.807 2.709 . 0 0 "[ . 1 . 2]" 1
978 1 82 LEU HA 1 83 ASN H 0.000 . 5.000 2.811 2.632 2.961 . 0 0 "[ . 1 . 2]" 1
979 1 82 LEU HB3 1 83 ASN H 0.000 . 5.000 4.201 4.075 4.290 . 0 0 "[ . 1 . 2]" 1
980 1 82 LEU HA 1 82 LEU HB2 0.000 . 2.700 2.770 2.703 2.978 0.278 10 0 "[ . 1 . 2]" 1
981 1 82 LEU HB2 1 83 ASN H 0.000 . 5.000 4.430 4.106 4.568 . 0 0 "[ . 1 . 2]" 1
982 1 82 LEU MD1 1 83 ASN H 0.000 . 5.000 4.129 3.821 4.632 . 0 0 "[ . 1 . 2]" 1
983 1 82 LEU MD1 1 84 ARG H 0.000 . 5.000 4.366 3.520 5.080 0.080 4 0 "[ . 1 . 2]" 1
984 1 82 LEU HA 1 82 LEU MD2 0.000 . 2.700 2.052 1.546 2.662 . 0 0 "[ . 1 . 2]" 1
985 1 82 LEU H 1 83 ASN H 0.000 . 5.000 2.787 2.688 3.026 . 0 0 "[ . 1 . 2]" 1
986 1 83 ASN HA 1 84 ARG H 0.000 . 3.000 2.482 2.285 2.664 . 0 0 "[ . 1 . 2]" 1
987 1 83 ASN HA 1 85 SER H 0.000 . 3.500 2.974 2.881 3.108 . 0 0 "[ . 1 . 2]" 1
988 1 83 ASN H 1 83 ASN HB2 0.000 . 3.500 2.951 2.447 4.019 0.519 4 1 "[ +. 1 . 2]" 1
989 1 83 ASN HB2 1 84 ARG H 0.000 . 5.000 4.592 4.345 4.667 . 0 0 "[ . 1 . 2]" 1
990 1 83 ASN HB2 1 85 SER H 0.000 . 5.000 4.705 3.381 4.984 . 0 0 "[ . 1 . 2]" 1
991 1 83 ASN HB3 1 85 SER H 0.000 . 5.000 3.846 3.199 4.647 . 0 0 "[ . 1 . 2]" 1
992 1 83 ASN HB3 1 86 GLU H 0.000 . 5.000 3.996 3.253 5.980 0.980 4 1 "[ +. 1 . 2]" 1
993 1 83 ASN H 1 83 ASN QD 0.000 . 5.000 4.400 3.474 4.785 . 0 0 "[ . 1 . 2]" 1
994 1 83 ASN QD 1 85 SER H 0.000 . 5.000 3.388 2.323 4.731 . 0 0 "[ . 1 . 2]" 1
995 1 16 TYR H 1 84 ARG HA 0.000 . 5.000 3.431 2.867 3.664 . 0 0 "[ . 1 . 2]" 1
996 1 51 TRP HH2 1 84 ARG HA 0.000 . 3.500 2.108 1.832 2.446 . 0 0 "[ . 1 . 2]" 1
997 1 84 ARG HA 1 85 SER H 0.000 . 3.500 3.269 3.083 3.368 . 0 0 "[ . 1 . 2]" 1
998 1 17 ALA H 1 84 ARG HB3 0.000 . 5.000 3.336 3.140 3.489 . 0 0 "[ . 1 . 2]" 1
999 1 84 ARG HB3 1 84 ARG HE 0.000 . 5.000 4.608 3.633 5.140 0.140 11 0 "[ . 1 . 2]" 1
1000 1 84 ARG H 1 84 ARG HB3 0.000 . 3.500 3.544 3.500 3.581 0.081 16 0 "[ . 1 . 2]" 1
1001 1 84 ARG HB3 1 85 SER H 0.000 . 5.000 4.267 4.007 4.499 . 0 0 "[ . 1 . 2]" 1
1002 1 17 ALA H 1 84 ARG HB2 0.000 . 5.000 4.612 3.663 5.020 0.020 12 0 "[ . 1 . 2]" 1
1003 1 84 ARG H 1 84 ARG HB2 0.000 . 3.500 2.531 2.197 2.972 . 0 0 "[ . 1 . 2]" 1
1004 1 84 ARG HB2 1 85 SER H 0.000 . 5.000 3.553 3.289 3.916 . 0 0 "[ . 1 . 2]" 1
1005 1 84 ARG H 1 84 ARG HD3 0.000 . 5.000 3.823 2.172 4.969 . 0 0 "[ . 1 . 2]" 1
1006 1 84 ARG HA 1 84 ARG HD2 0.000 . 5.000 4.255 3.314 4.603 . 0 0 "[ . 1 . 2]" 1
1007 1 84 ARG H 1 84 ARG HD2 0.000 . 5.000 3.317 2.181 4.609 . 0 0 "[ . 1 . 2]" 1
1008 1 17 ALA H 1 84 ARG QG 0.000 . 5.000 4.612 3.773 4.816 . 0 0 "[ . 1 . 2]" 1
1009 1 51 TRP HH2 1 84 ARG QG 0.000 . 5.000 3.490 2.948 3.903 . 0 0 "[ . 1 . 2]" 1
1010 1 84 ARG HA 1 84 ARG QG 0.000 . 3.500 2.450 2.131 2.808 . 0 0 "[ . 1 . 2]" 1
1011 1 84 ARG H 1 84 ARG QG 0.000 . 3.500 2.397 1.610 3.348 . 0 0 "[ . 1 . 2]" 1
1012 1 84 ARG H 1 85 SER H 0.000 . 3.500 2.698 2.607 2.839 . 0 0 "[ . 1 . 2]" 1
1013 1 85 SER HA 1 86 GLU H 0.000 . 3.500 3.133 3.032 3.226 . 0 0 "[ . 1 . 2]" 1
1014 1 83 ASN QD 1 85 SER QB 0.000 . 5.000 3.243 2.229 4.758 . 0 0 "[ . 1 . 2]" 1
1015 1 84 ARG H 1 85 SER QB 0.000 . 5.000 4.347 4.129 4.671 . 0 0 "[ . 1 . 2]" 1
1016 1 85 SER H 1 85 SER QB 0.000 . 2.700 2.282 2.092 2.595 . 0 0 "[ . 1 . 2]" 1
1017 1 85 SER QB 1 86 GLU H 0.000 . 5.000 3.635 3.506 3.958 . 0 0 "[ . 1 . 2]" 1
1018 1 85 SER H 1 86 GLU HA 0.000 . 5.000 4.744 4.439 4.993 . 0 0 "[ . 1 . 2]" 1
1019 1 86 GLU HA 1 87 ARG H 0.000 . 2.700 2.672 2.570 2.717 0.017 16 0 "[ . 1 . 2]" 1
1020 1 51 TRP HZ2 1 86 GLU HB2 0.000 . 3.500 2.114 1.889 2.354 . 0 0 "[ . 1 . 2]" 1
1021 1 86 GLU HB2 1 87 ARG H 0.000 . 3.500 3.416 3.332 3.502 0.002 5 0 "[ . 1 . 2]" 1
1022 1 86 GLU HB2 1 88 TRP HE1 0.000 . 3.500 2.290 2.093 2.455 . 0 0 "[ . 1 . 2]" 1
1023 1 51 TRP HZ2 1 86 GLU HB3 0.000 . 3.500 3.450 3.209 3.512 0.012 16 0 "[ . 1 . 2]" 1
1024 1 86 GLU H 1 86 GLU HB3 0.000 . 3.500 3.511 3.457 3.546 0.046 1 0 "[ . 1 . 2]" 1
1025 1 86 GLU HB3 1 87 ARG H 0.000 . 3.500 1.929 1.853 2.113 . 0 0 "[ . 1 . 2]" 1
1026 1 86 GLU HB3 1 88 TRP HE1 0.000 . 3.500 1.881 1.781 1.997 . 0 0 "[ . 1 . 2]" 1
1027 1 86 GLU HB3 1 88 TRP HZ2 0.000 . 3.500 3.291 3.053 3.503 0.003 15 0 "[ . 1 . 2]" 1
1028 1 51 TRP HZ2 1 86 GLU HG3 0.000 . 5.000 4.067 3.884 4.418 . 0 0 "[ . 1 . 2]" 1
1029 1 85 SER H 1 86 GLU HG3 0.000 . 5.000 4.980 4.676 5.201 0.201 1 0 "[ . 1 . 2]" 1
1030 1 51 TRP HZ2 1 86 GLU HG2 0.000 . 5.000 4.680 4.394 4.875 . 0 0 "[ . 1 . 2]" 1
1031 1 86 GLU H 1 86 GLU HG2 0.000 . 3.500 3.031 2.743 3.174 . 0 0 "[ . 1 . 2]" 1
1032 1 86 GLU HG2 1 87 ARG H 0.000 . 5.000 4.118 4.027 4.372 . 0 0 "[ . 1 . 2]" 1
1033 1 86 GLU HG2 1 88 TRP HE1 0.000 . 5.000 3.949 3.888 4.063 . 0 0 "[ . 1 . 2]" 1
1034 1 85 SER H 1 86 GLU H 0.000 . 3.500 2.553 2.167 2.837 . 0 0 "[ . 1 . 2]" 1
1035 1 13 LYS H 1 87 ARG HB3 0.000 . 5.000 4.418 3.340 5.010 0.010 4 0 "[ . 1 . 2]" 1
1036 1 14 LEU H 1 87 ARG HB3 0.000 . 5.000 4.363 3.576 4.890 . 0 0 "[ . 1 . 2]" 1
1037 1 87 ARG H 1 87 ARG HB3 0.000 . 3.500 3.607 3.341 3.906 0.406 3 0 "[ . 1 . 2]" 1
1038 1 87 ARG HB3 1 88 TRP H 0.000 . 5.000 3.945 3.549 4.232 . 0 0 "[ . 1 . 2]" 1
1039 1 13 LYS H 1 87 ARG HB2 0.000 . 5.000 4.147 3.553 5.008 0.008 8 0 "[ . 1 . 2]" 1
1040 1 14 LEU H 1 87 ARG HB2 0.000 . 5.000 4.441 3.945 5.012 0.012 16 0 "[ . 1 . 2]" 1
1041 1 87 ARG HB2 1 87 ARG HE 0.000 . 5.000 3.643 2.125 4.730 . 0 0 "[ . 1 . 2]" 1
1042 1 87 ARG H 1 87 ARG HB2 0.000 . 4.000 3.456 2.847 3.788 . 0 0 "[ . 1 . 2]" 1
1043 1 87 ARG HB2 1 88 TRP H 0.000 . 3.500 3.792 3.552 4.223 0.723 1 8 "[+ * .* * 1 **.-* 2]" 1
1044 1 87 ARG HA 1 87 ARG HG3 0.000 . 3.500 3.557 2.820 4.115 0.615 10 4 "[ * + - * 2]" 1
1045 1 87 ARG H 1 87 ARG HG3 0.000 . 3.500 2.701 1.958 3.609 0.109 10 0 "[ . 1 . 2]" 1
1046 1 87 ARG HG3 1 88 TRP H 0.000 . 5.000 5.032 4.775 5.576 0.576 1 1 "[+ . 1 . 2]" 1
1047 1 51 TRP HE1 1 87 ARG H 0.000 . 5.000 4.993 4.945 5.018 0.018 14 0 "[ . 1 . 2]" 1
1048 1 86 GLU H 1 87 ARG H 0.000 . 5.000 4.506 4.462 4.556 . 0 0 "[ . 1 . 2]" 1
1049 1 87 ARG H 1 88 TRP HE1 0.000 . 5.000 3.507 3.395 3.642 . 0 0 "[ . 1 . 2]" 1
1050 1 12 TYR QD 1 88 TRP HA 0.000 . 3.500 1.956 1.451 2.289 . 0 0 "[ . 1 . 2]" 1
1051 1 12 TYR QE 1 88 TRP HA 0.000 . 3.500 3.517 3.410 3.539 0.039 13 0 "[ . 1 . 2]" 1
1052 1 88 TRP HA 1 88 TRP HE3 0.000 . 3.500 2.798 2.659 2.962 . 0 0 "[ . 1 . 2]" 1
1053 1 88 TRP HA 1 89 ASP H 0.000 . 5.000 2.930 2.594 3.159 . 0 0 "[ . 1 . 2]" 1
1054 1 51 TRP HD1 1 88 TRP HB2 0.000 . 3.500 3.281 3.206 3.353 . 0 0 "[ . 1 . 2]" 1
1055 1 51 TRP HE1 1 88 TRP HB2 0.000 . 5.000 3.349 3.262 3.409 . 0 0 "[ . 1 . 2]" 1
1056 1 51 TRP H 1 88 TRP HB2 0.000 . 5.000 3.663 3.536 3.811 . 0 0 "[ . 1 . 2]" 1
1057 1 88 TRP HB2 1 88 TRP HD1 0.000 . 3.500 2.581 2.562 2.605 . 0 0 "[ . 1 . 2]" 1
1058 1 88 TRP HB2 1 89 ASP H 0.000 . 3.500 2.232 1.830 2.833 . 0 0 "[ . 1 . 2]" 1
1059 1 51 TRP HE1 1 88 TRP HB3 0.000 . 5.000 4.993 4.892 5.017 0.017 12 0 "[ . 1 . 2]" 1
1060 1 88 TRP HB3 1 88 TRP HD1 0.000 . 4.000 3.730 3.698 3.761 . 0 0 "[ . 1 . 2]" 1
1061 1 88 TRP HB3 1 89 ASP H 0.000 . 3.500 2.068 1.978 2.331 . 0 0 "[ . 1 . 2]" 1
1062 1 51 TRP HD1 1 88 TRP HD1 0.000 . 5.000 3.943 3.709 4.114 . 0 0 "[ . 1 . 2]" 1
1063 1 51 TRP HE1 1 88 TRP HD1 0.000 . 5.000 2.378 2.028 2.604 . 0 0 "[ . 1 . 2]" 1
1064 1 51 TRP H 1 88 TRP HD1 0.000 . 5.000 5.026 5.018 5.034 0.034 15 0 "[ . 1 . 2]" 1
1065 1 87 ARG H 1 88 TRP HD1 0.000 . 5.000 4.182 4.053 4.274 . 0 0 "[ . 1 . 2]" 1
1066 1 12 TYR QE 1 88 TRP HE3 0.000 . 3.500 3.092 2.774 3.364 . 0 0 "[ . 1 . 2]" 1
1067 1 88 TRP HE3 1 89 ASP H 0.000 . 5.000 4.448 4.254 4.631 . 0 0 "[ . 1 . 2]" 1
1068 1 87 ARG HA 1 88 TRP H 0.000 . 2.700 2.111 2.103 2.121 . 0 0 "[ . 1 . 2]" 1
1069 1 87 ARG H 1 88 TRP H 0.000 . 5.000 4.084 4.031 4.123 . 0 0 "[ . 1 . 2]" 1
1070 1 12 TYR QD 1 89 ASP HA 0.000 . 5.000 4.328 4.081 4.810 . 0 0 "[ . 1 . 2]" 1
1071 1 13 LYS H 1 89 ASP HA 0.000 . 5.000 4.137 3.983 4.318 . 0 0 "[ . 1 . 2]" 1
1072 1 14 LEU H 1 89 ASP HA 0.000 . 5.000 4.054 3.859 4.311 . 0 0 "[ . 1 . 2]" 1
1073 1 88 TRP H 1 89 ASP HA 0.000 . 5.000 4.701 4.530 4.847 . 0 0 "[ . 1 . 2]" 1
1074 1 89 ASP HA 1 90 ALA H 0.000 . 3.500 2.708 2.663 2.782 . 0 0 "[ . 1 . 2]" 1
1075 1 5 ARG H 1 89 ASP HB3 0.000 . 5.000 4.124 3.763 4.644 . 0 0 "[ . 1 . 2]" 1
1076 1 89 ASP H 1 89 ASP HB3 0.000 . 3.500 3.659 3.499 3.820 0.320 15 0 "[ . 1 . 2]" 1
1077 1 89 ASP HB3 1 90 ALA H 0.000 . 2.700 2.301 1.983 2.710 0.010 4 0 "[ . 1 . 2]" 1
1078 1 5 ARG H 1 89 ASP HB2 0.000 . 5.000 4.515 3.794 5.014 0.014 17 0 "[ . 1 . 2]" 1
1079 1 89 ASP HB2 1 90 ALA H 0.000 . 2.700 2.559 2.133 2.741 0.041 15 0 "[ . 1 . 2]" 1
1080 1 9 SER HA 1 10 GLY H 0.000 . 3.500 3.475 3.066 3.555 0.055 17 0 "[ . 1 . 2]" 1
1081 1 8 ARG H 1 9 SER H 0.000 . 5.000 2.648 2.533 2.867 . 0 0 "[ . 1 . 2]" 1
1082 1 51 TRP HD1 1 90 ALA HA 0.000 . 3.500 3.556 3.518 3.589 0.089 16 0 "[ . 1 . 2]" 1
1083 1 51 TRP H 1 90 ALA HA 0.000 . 3.500 2.735 2.567 2.903 . 0 0 "[ . 1 . 2]" 1
1084 1 90 ALA HA 1 91 TYR H 0.000 . 2.700 2.177 2.148 2.213 . 0 0 "[ . 1 . 2]" 1
1085 1 19 ALA HA 1 90 ALA MB 0.000 . 3.500 2.300 1.945 2.435 . 0 0 "[ . 1 . 2]" 1
1086 1 19 ALA H 1 90 ALA MB 0.000 . 4.000 3.980 3.901 4.033 0.033 3 0 "[ . 1 . 2]" 1
1087 1 23 CYS H 1 90 ALA MB 0.000 . 5.000 4.337 3.865 4.722 . 0 0 "[ . 1 . 2]" 1
1088 1 5 ARG H 1 90 ALA MB 0.000 . 5.000 4.162 3.910 4.379 . 0 0 "[ . 1 . 2]" 1
1089 1 51 TRP HD1 1 90 ALA MB 0.000 . 3.500 3.475 3.311 3.525 0.025 8 0 "[ . 1 . 2]" 1
1090 1 51 TRP H 1 90 ALA MB 0.000 . 5.000 4.121 3.937 4.249 . 0 0 "[ . 1 . 2]" 1
1091 1 89 ASP HA 1 90 ALA MB 0.000 . 5.000 3.841 3.797 3.871 . 0 0 "[ . 1 . 2]" 1
1092 1 90 ALA H 1 90 ALA MB 0.000 . 3.500 2.640 2.594 2.686 . 0 0 "[ . 1 . 2]" 1
1093 1 90 ALA MB 1 91 TYR H 0.000 . 3.500 3.060 2.919 3.239 . 0 0 "[ . 1 . 2]" 1
1094 1 90 ALA MB 1 92 CYS H 0.000 . 5.000 4.601 4.382 4.918 . 0 0 "[ . 1 . 2]" 1
1095 1 5 ARG H 1 90 ALA H 0.000 . 3.500 3.318 3.056 3.505 0.005 17 0 "[ . 1 . 2]" 1
1096 1 5 ARG H 1 91 TYR HA 0.000 . 5.000 3.258 2.991 3.469 . 0 0 "[ . 1 . 2]" 1
1097 1 91 TYR HA 1 91 TYR QD 0.000 . 2.700 2.495 2.290 2.708 0.008 13 0 "[ . 1 . 2]" 1
1098 1 91 TYR HA 1 92 CYS H 0.000 . 2.700 2.163 2.151 2.184 . 0 0 "[ . 1 . 2]" 1
1099 1 31 ALA H 1 91 TYR HB3 0.000 . 5.000 3.238 2.966 3.622 . 0 0 "[ . 1 . 2]" 1
1100 1 91 TYR HB3 1 91 TYR QD 0.000 . 2.700 2.587 2.502 2.661 . 0 0 "[ . 1 . 2]" 1
1101 1 91 TYR H 1 91 TYR HB3 0.000 . 3.500 3.564 3.530 3.581 0.081 6 0 "[ . 1 . 2]" 1
1102 1 91 TYR HB3 1 92 CYS H 0.000 . 5.000 3.624 3.342 3.823 . 0 0 "[ . 1 . 2]" 1
1103 1 31 ALA H 1 91 TYR HB2 0.000 . 5.000 3.401 3.136 3.746 . 0 0 "[ . 1 . 2]" 1
1104 1 91 TYR HB2 1 91 TYR QD 0.000 . 2.700 2.283 2.268 2.320 . 0 0 "[ . 1 . 2]" 1
1105 1 91 TYR H 1 91 TYR HB2 0.000 . 3.500 2.307 2.256 2.342 . 0 0 "[ . 1 . 2]" 1
1106 1 5 ARG H 1 91 TYR QD 0.000 . 5.000 4.313 4.077 4.508 . 0 0 "[ . 1 . 2]" 1
1107 1 50 GLY H 1 91 TYR QD 0.000 . 5.000 4.250 3.842 4.707 . 0 0 "[ . 1 . 2]" 1
1108 1 91 TYR H 1 91 TYR QD 0.000 . 5.000 3.238 3.045 3.400 . 0 0 "[ . 1 . 2]" 1
1109 1 91 TYR QD 1 92 CYS H 0.000 . 5.000 3.805 3.505 4.072 . 0 0 "[ . 1 . 2]" 1
1110 1 4 HIS HD2 1 91 TYR QE 0.000 . 5.000 3.526 2.525 5.003 0.003 15 0 "[ . 1 . 2]" 1
1111 1 4 HIS H 1 91 TYR QE 0.000 . 5.000 4.592 3.813 4.936 . 0 0 "[ . 1 . 2]" 1
1112 1 50 GLY H 1 91 TYR QE 0.000 . 3.500 2.767 2.572 2.963 . 0 0 "[ . 1 . 2]" 1
1113 1 51 TRP H 1 91 TYR QE 0.000 . 5.000 4.961 4.738 5.034 0.034 9 0 "[ . 1 . 2]" 1
1114 1 91 TYR QE 1 91 TYR HH 0.000 . 2.700 2.540 2.194 2.638 . 0 0 "[ . 1 . 2]" 1
1115 1 48 ALA H 1 91 TYR HH 0.000 . 5.000 4.120 3.555 4.693 . 0 0 "[ . 1 . 2]" 1
1116 1 51 TRP H 1 91 TYR H 0.000 . 5.000 3.777 3.440 4.134 . 0 0 "[ . 1 . 2]" 1
1117 1 91 TYR H 1 92 CYS H 0.000 . 5.000 4.330 4.230 4.447 . 0 0 "[ . 1 . 2]" 1
1118 1 29 HIS H 1 92 CYS HA 0.000 . 5.000 4.667 4.280 5.035 0.035 18 0 "[ . 1 . 2]" 1
1119 1 30 LEU H 1 92 CYS HA 0.000 . 5.000 4.864 4.578 5.032 0.032 10 0 "[ . 1 . 2]" 1
1120 1 31 ALA H 1 92 CYS HA 0.000 . 3.500 3.183 2.570 3.510 0.010 8 0 "[ . 1 . 2]" 1
1121 1 92 CYS HA 1 93 TYR H 0.000 . 2.700 2.285 2.139 2.441 . 0 0 "[ . 1 . 2]" 1
1122 1 92 CYS H 1 92 CYS HB2 0.000 . 3.500 2.293 2.163 2.524 . 0 0 "[ . 1 . 2]" 1
1123 1 92 CYS HB2 1 93 TYR H 0.000 . 5.000 4.068 3.514 4.392 . 0 0 "[ . 1 . 2]" 1
1124 1 3 TYR H 1 92 CYS HB3 0.000 . 5.000 4.224 3.461 4.807 . 0 0 "[ . 1 . 2]" 1
1125 1 92 CYS H 1 92 CYS HB3 0.000 . 3.500 3.369 2.757 3.598 0.098 11 0 "[ . 1 . 2]" 1
1126 1 92 CYS HB3 1 93 TYR H 0.000 . 3.500 2.960 2.347 3.511 0.011 12 0 "[ . 1 . 2]" 1
1127 1 3 TYR H 1 92 CYS H 0.000 . 4.000 3.600 3.241 3.971 . 0 0 "[ . 1 . 2]" 1
1128 1 2 VAL HA 1 93 TYR HA 0.000 . 2.700 2.006 1.705 2.544 . 0 0 "[ . 1 . 2]" 1
1129 1 3 TYR H 1 93 TYR HA 0.000 . 3.500 3.299 2.674 3.572 0.072 17 0 "[ . 1 . 2]" 1
1130 1 93 TYR HA 1 93 TYR QD 0.000 . 3.500 3.157 2.888 3.239 . 0 0 "[ . 1 . 2]" 1
1131 1 93 TYR HA 1 94 ASN H 0.000 . 2.700 2.153 2.132 2.196 . 0 0 "[ . 1 . 2]" 1
1132 1 29 HIS H 1 93 TYR HB2 0.000 . 5.000 5.038 4.859 5.117 0.117 15 0 "[ . 1 . 2]" 1
1133 1 3 TYR H 1 93 TYR HB2 0.000 . 5.000 4.277 3.608 4.774 . 0 0 "[ . 1 . 2]" 1
1134 1 31 ALA HA 1 93 TYR HB2 0.000 . 3.500 2.656 2.343 3.215 . 0 0 "[ . 1 . 2]" 1
1135 1 31 ALA MB 1 93 TYR HB2 0.000 . 3.500 2.425 2.208 2.595 . 0 0 "[ . 1 . 2]" 1
1136 1 93 TYR HB2 1 93 TYR QD 0.000 . 2.700 2.303 2.270 2.420 . 0 0 "[ . 1 . 2]" 1
1137 1 93 TYR HB2 1 94 ASN H 0.000 . 5.000 4.288 4.129 4.518 . 0 0 "[ . 1 . 2]" 1
1138 1 29 HIS H 1 93 TYR HB3 0.000 . 5.000 3.592 3.439 3.692 . 0 0 "[ . 1 . 2]" 1
1139 1 31 ALA HA 1 93 TYR HB3 0.000 . 5.000 3.254 2.933 3.483 . 0 0 "[ . 1 . 2]" 1
1140 1 31 ALA MB 1 93 TYR HB3 0.000 . 5.000 3.723 3.394 4.025 . 0 0 "[ . 1 . 2]" 1
1141 1 93 TYR HB3 1 93 TYR QD 0.000 . 2.700 2.568 2.360 2.714 0.014 13 0 "[ . 1 . 2]" 1
1142 1 93 TYR H 1 93 TYR HB3 0.000 . 3.500 2.840 2.610 2.994 . 0 0 "[ . 1 . 2]" 1
1143 1 2 VAL H 1 93 TYR QD 0.000 . 5.000 4.031 3.708 4.746 . 0 0 "[ . 1 . 2]" 1
1144 1 29 HIS HD2 1 93 TYR QD 0.000 . 3.500 2.245 1.822 2.918 . 0 0 "[ . 1 . 2]" 1
1145 1 29 HIS H 1 93 TYR QD 0.000 . 5.000 4.005 3.625 4.377 . 0 0 "[ . 1 . 2]" 1
1146 1 93 TYR H 1 93 TYR QD 0.000 . 5.000 4.264 4.095 4.394 . 0 0 "[ . 1 . 2]" 1
1147 1 93 TYR QD 1 94 ASN H 0.000 . 3.500 3.297 2.924 3.543 0.043 18 0 "[ . 1 . 2]" 1
1148 1 1 GLY HA2 1 93 TYR QE 0.000 . 5.000 5.012 4.502 5.515 0.515 7 1 "[ . + 1 . 2]" 1
1149 1 29 HIS HD2 1 93 TYR QE 0.000 . 3.500 3.500 3.232 3.595 0.095 18 0 "[ . 1 . 2]" 1
1150 1 93 TYR QE 1 95 PRO HA 0.000 . 5.000 3.559 2.860 4.177 . 0 0 "[ . 1 . 2]" 1
1151 1 93 TYR QE 1 95 PRO HB3 0.000 . 5.000 4.840 1.417 5.042 0.042 7 0 "[ . 1 . 2]" 1
1152 1 31 ALA H 1 93 TYR H 0.000 . 5.000 3.930 3.409 4.711 . 0 0 "[ . 1 . 2]" 1
1153 1 92 CYS H 1 93 TYR H 0.000 . 5.000 4.563 4.516 4.602 . 0 0 "[ . 1 . 2]" 1
1154 1 29 HIS H 1 94 ASN HA 0.000 . 5.000 3.787 3.414 4.258 . 0 0 "[ . 1 . 2]" 1
1155 1 94 ASN QB 1 94 ASN HD22 0.000 . 3.500 3.230 3.199 3.507 0.007 18 0 "[ . 1 . 2]" 1
1156 1 94 ASN H 1 94 ASN QB 0.000 . 2.700 2.659 2.398 2.747 0.047 1 0 "[ . 1 . 2]" 1
1157 1 94 ASN QB 1 97 ALA H 0.000 . 3.500 2.038 1.632 3.510 0.010 18 0 "[ . 1 . 2]" 1
1158 1 26 GLU H 1 94 ASN QD 0.000 . 5.000 4.795 4.109 5.030 0.030 7 0 "[ . 1 . 2]" 1
1159 1 93 TYR H 1 94 ASN H 0.000 . 5.000 4.124 3.684 4.294 . 0 0 "[ . 1 . 2]" 1
1160 1 95 PRO HA 1 96 HIS H 0.000 . 5.000 3.532 3.516 3.566 . 0 0 "[ . 1 . 2]" 1
1161 1 95 PRO HB2 1 96 HIS H 0.000 . 2.700 2.721 2.703 2.786 0.086 12 0 "[ . 1 . 2]" 1
1162 1 95 PRO HB3 1 96 HIS H 0.000 . 5.000 3.969 3.718 4.041 . 0 0 "[ . 1 . 2]" 1
1163 1 94 ASN HA 1 95 PRO HD3 0.000 . 2.700 2.173 1.973 2.703 0.003 18 0 "[ . 1 . 2]" 1
1164 1 95 PRO HD3 1 96 HIS H 0.000 . 5.000 4.030 3.651 4.095 . 0 0 "[ . 1 . 2]" 1
1165 1 95 PRO HD3 1 97 ALA H 0.000 . 5.000 4.959 4.122 5.041 0.041 12 0 "[ . 1 . 2]" 1
1166 1 94 ASN HA 1 95 PRO HD2 0.000 . 2.700 2.505 2.122 2.701 0.001 14 0 "[ . 1 . 2]" 1
1167 1 95 PRO HD2 1 96 HIS H 0.000 . 5.000 2.906 2.467 3.151 . 0 0 "[ . 1 . 2]" 1
1168 1 95 PRO HD2 1 97 ALA H 0.000 . 5.000 3.754 2.573 3.945 . 0 0 "[ . 1 . 2]" 1
1169 1 95 PRO HB2 1 95 PRO HG3 0.000 . 3.000 2.901 2.674 2.995 . 0 0 "[ . 1 . 2]" 1
1170 1 95 PRO HG2 1 96 HIS H 0.000 . 5.000 3.485 1.693 4.145 . 0 0 "[ . 1 . 2]" 1
1171 1 96 HIS HA 1 96 HIS QB 0.000 . 2.700 2.378 2.170 2.497 . 0 0 "[ . 1 . 2]" 1
1172 1 96 HIS HA 1 97 ALA H 0.000 . 5.000 3.445 2.977 3.507 . 0 0 "[ . 1 . 2]" 1
1173 1 96 HIS H 1 96 HIS QB 0.000 . 2.700 2.509 2.337 2.653 . 0 0 "[ . 1 . 2]" 1
1174 1 96 HIS QB 1 97 ALA H 0.000 . 5.000 2.981 2.703 3.743 . 0 0 "[ . 1 . 2]" 1
1175 1 96 HIS H 1 96 HIS HD2 0.000 . 5.000 4.173 2.578 5.013 0.013 18 0 "[ . 1 . 2]" 1
1176 1 94 ASN HD21 1 96 HIS H 0.000 . 5.000 4.818 4.491 5.051 0.051 12 0 "[ . 1 . 2]" 1
1177 1 95 PRO HG3 1 96 HIS H 0.000 . 5.000 4.308 3.299 4.626 . 0 0 "[ . 1 . 2]" 1
1178 1 94 ASN HD22 1 97 ALA HA 0.000 . 5.000 4.464 3.533 5.020 0.020 12 0 "[ . 1 . 2]" 1
1179 1 94 ASN HD21 1 97 ALA HA 0.000 . 5.000 3.249 1.856 4.564 . 0 0 "[ . 1 . 2]" 1
1180 1 97 ALA HA 1 98 LYS H 0.000 . 2.700 2.485 2.368 2.678 . 0 0 "[ . 1 . 2]" 1
1181 1 93 TYR H 1 97 ALA MB 0.000 . 5.000 5.057 5.029 5.133 0.133 18 0 "[ . 1 . 2]" 1
1182 1 94 ASN HD22 1 97 ALA MB 0.000 . 5.000 4.326 2.197 5.001 0.001 14 0 "[ . 1 . 2]" 1
1183 1 94 ASN H 1 97 ALA MB 0.000 . 5.000 2.663 1.957 4.532 . 0 0 "[ . 1 . 2]" 1
1184 1 96 HIS H 1 97 ALA MB 0.000 . 5.000 3.846 3.368 4.098 . 0 0 "[ . 1 . 2]" 1
1185 1 97 ALA H 1 97 ALA MB 0.000 . 2.700 2.617 2.058 2.730 0.030 1 0 "[ . 1 . 2]" 1
1186 1 97 ALA MB 1 98 LYS H 0.000 . 5.000 3.702 3.671 3.723 . 0 0 "[ . 1 . 2]" 1
1187 1 96 HIS H 1 97 ALA H 0.000 . 2.700 1.949 1.758 2.706 0.006 12 0 "[ . 1 . 2]" 1
1188 1 98 LYS H 1 98 LYS HB3 0.000 . 2.700 2.729 2.251 3.353 0.653 18 2 "[ . 1 - . + 2]" 1
1189 1 98 LYS H 1 98 LYS HB2 0.000 . 3.500 2.634 2.098 3.527 0.027 8 0 "[ . 1 . 2]" 1
1190 1 98 LYS HA 1 98 LYS QG 0.000 . 3.500 2.389 2.118 3.346 . 0 0 "[ . 1 . 2]" 1
1191 1 98 LYS H 1 98 LYS QG 0.000 . 5.000 3.920 2.769 4.102 . 0 0 "[ . 1 . 2]" 1
1192 1 97 ALA H 1 98 LYS H 0.000 . 3.500 3.381 3.168 3.508 0.008 18 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 68
_Distance_constraint_stats_list.Viol_count 213
_Distance_constraint_stats_list.Viol_total 62.722
_Distance_constraint_stats_list.Viol_max 0.055
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0147
_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 3 TYR 0.062 0.012 15 0 "[ . 1 . 2]"
1 5 ARG 0.058 0.016 17 0 "[ . 1 . 2]"
1 14 LEU 0.173 0.055 11 0 "[ . 1 . 2]"
1 15 THR 0.183 0.029 11 0 "[ . 1 . 2]"
1 16 TYR 0.086 0.021 8 0 "[ . 1 . 2]"
1 17 ALA 0.045 0.017 2 0 "[ . 1 . 2]"
1 18 GLU 0.183 0.029 11 0 "[ . 1 . 2]"
1 19 ALA 0.134 0.035 7 0 "[ . 1 . 2]"
1 20 LYS 0.086 0.021 8 0 "[ . 1 . 2]"
1 21 ALA 0.187 0.026 20 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 CYS 0.134 0.035 7 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PHE 0.142 0.026 20 0 "[ . 1 . 2]"
1 29 HIS 0.097 0.033 1 0 "[ . 1 . 2]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 THR 1.001 0.053 4 0 "[ . 1 . 2]"
1 33 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 1.398 0.055 10 0 "[ . 1 . 2]"
1 36 LEU 0.010 0.005 20 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.471 0.055 10 0 "[ . 1 . 2]"
1 40 ARG 0.049 0.018 1 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.049 0.018 1 0 "[ . 1 . 2]"
1 44 PHE 0.064 0.022 19 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 TRP 0.472 0.032 15 0 "[ . 1 . 2]"
1 52 MET 0.007 0.004 4 0 "[ . 1 . 2]"
1 56 ARG 0.007 0.004 4 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 TYR 0.157 0.016 20 0 "[ . 1 . 2]"
1 76 ILE 0.157 0.016 20 0 "[ . 1 . 2]"
1 88 TRP 0.173 0.055 11 0 "[ . 1 . 2]"
1 89 ASP 0.472 0.032 15 0 "[ . 1 . 2]"
1 90 ALA 0.058 0.016 17 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 CYS 0.062 0.012 15 0 "[ . 1 . 2]"
1 93 TYR 0.097 0.033 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 TYR N 1 92 CYS O 0.000 . 3.300 2.825 2.612 3.177 . 0 0 "[ . 1 . 2]" 2
2 1 3 TYR H 1 92 CYS O 0.000 . 2.300 1.905 1.648 2.238 . 0 0 "[ . 1 . 2]" 2
3 1 5 ARG N 1 90 ALA O 0.000 . 3.300 2.831 2.699 3.075 . 0 0 "[ . 1 . 2]" 2
4 1 5 ARG H 1 90 ALA O 0.000 . 2.300 2.206 2.032 2.316 0.016 17 0 "[ . 1 . 2]" 2
5 1 5 ARG O 1 90 ALA N 0.000 . 3.300 3.027 2.864 3.215 . 0 0 "[ . 1 . 2]" 2
6 1 5 ARG O 1 90 ALA H 0.000 . 2.300 2.097 1.927 2.311 0.011 9 0 "[ . 1 . 2]" 2
7 1 3 TYR O 1 92 CYS N 0.000 . 3.300 2.839 2.614 2.996 . 0 0 "[ . 1 . 2]" 2
8 1 3 TYR O 1 92 CYS H 0.000 . 2.300 2.183 1.907 2.312 0.012 15 0 "[ . 1 . 2]" 2
9 1 29 HIS O 1 93 TYR N 0.000 . 3.300 2.698 2.510 2.845 . 0 0 "[ . 1 . 2]" 2
10 1 29 HIS O 1 93 TYR H 0.000 . 2.300 2.114 1.839 2.333 0.033 1 0 "[ . 1 . 2]" 2
11 1 29 HIS N 1 93 TYR O 0.000 . 3.300 2.936 2.701 3.226 . 0 0 "[ . 1 . 2]" 2
12 1 29 HIS H 1 93 TYR O 0.000 . 2.300 2.027 1.793 2.285 . 0 0 "[ . 1 . 2]" 2
13 1 31 ALA N 1 91 TYR O 0.000 . 3.300 2.586 2.454 2.764 . 0 0 "[ . 1 . 2]" 2
14 1 31 ALA H 1 91 TYR O 0.000 . 2.300 1.759 1.636 1.870 . 0 0 "[ . 1 . 2]" 2
15 1 50 GLY N 1 58 GLY O 0.000 . 3.300 2.870 2.691 3.030 . 0 0 "[ . 1 . 2]" 2
16 1 50 GLY H 1 58 GLY O 0.000 . 2.300 1.972 1.798 2.139 . 0 0 "[ . 1 . 2]" 2
17 1 52 MET N 1 56 ARG O 0.000 . 3.300 2.734 2.533 2.879 . 0 0 "[ . 1 . 2]" 2
18 1 52 MET H 1 56 ARG O 0.000 . 2.300 2.159 1.947 2.304 0.004 4 0 "[ . 1 . 2]" 2
19 1 59 TYR N 1 76 ILE O 0.000 . 3.300 3.086 2.963 3.173 . 0 0 "[ . 1 . 2]" 2
20 1 59 TYR H 1 76 ILE O 0.000 . 2.300 2.260 2.100 2.316 0.016 20 0 "[ . 1 . 2]" 2
21 1 59 TYR O 1 76 ILE N 0.000 . 3.300 3.111 2.778 3.285 . 0 0 "[ . 1 . 2]" 2
22 1 59 TYR O 1 76 ILE H 0.000 . 2.300 2.171 1.813 2.313 0.013 12 0 "[ . 1 . 2]" 2
23 1 14 LEU O 1 88 TRP N 0.000 . 3.300 3.027 2.768 3.237 . 0 0 "[ . 1 . 2]" 2
24 1 14 LEU O 1 88 TRP H 0.000 . 2.300 2.081 1.814 2.295 . 0 0 "[ . 1 . 2]" 2
25 1 14 LEU N 1 88 TRP O 0.000 . 3.300 3.108 2.897 3.303 0.003 11 0 "[ . 1 . 2]" 2
26 1 14 LEU H 1 88 TRP O 0.000 . 2.300 2.206 1.990 2.355 0.055 11 0 "[ . 1 . 2]" 2
27 1 49 ALA O 1 89 ASP N 0.000 . 3.300 2.734 2.618 2.892 . 0 0 "[ . 1 . 2]" 2
28 1 49 ALA O 1 89 ASP H 0.000 . 2.300 1.855 1.752 1.966 . 0 0 "[ . 1 . 2]" 2
29 1 51 TRP N 1 89 ASP O 0.000 . 3.300 3.298 3.280 3.311 0.011 15 0 "[ . 1 . 2]" 2
30 1 51 TRP H 1 89 ASP O 0.000 . 2.300 2.321 2.303 2.332 0.032 15 0 "[ . 1 . 2]" 2
31 1 15 THR O 1 19 ALA N 0.000 . 3.300 2.586 2.534 2.672 . 0 0 "[ . 1 . 2]" 2
32 1 15 THR O 1 19 ALA H 0.000 . 2.300 1.652 1.577 1.760 . 0 0 "[ . 1 . 2]" 2
33 1 16 TYR O 1 20 LYS N 0.000 . 3.300 3.149 2.994 3.220 . 0 0 "[ . 1 . 2]" 2
34 1 16 TYR O 1 20 LYS H 0.000 . 2.300 2.266 2.089 2.321 0.021 8 0 "[ . 1 . 2]" 2
35 1 17 ALA O 1 21 ALA N 0.000 . 3.300 3.075 2.899 3.226 . 0 0 "[ . 1 . 2]" 2
36 1 17 ALA O 1 21 ALA H 0.000 . 2.300 2.204 2.023 2.317 0.017 2 0 "[ . 1 . 2]" 2
37 1 18 GLU O 1 22 VAL N 0.000 . 3.300 3.031 2.891 3.171 . 0 0 "[ . 1 . 2]" 2
38 1 18 GLU O 1 22 VAL H 0.000 . 2.300 2.117 1.969 2.250 . 0 0 "[ . 1 . 2]" 2
39 1 19 ALA O 1 23 CYS N 0.000 . 3.300 3.215 2.872 3.313 0.013 7 0 "[ . 1 . 2]" 2
40 1 19 ALA O 1 23 CYS H 0.000 . 2.300 2.252 1.903 2.335 0.035 7 0 "[ . 1 . 2]" 2
41 1 20 LYS O 1 24 GLU N 0.000 . 3.300 2.654 2.494 2.792 . 0 0 "[ . 1 . 2]" 2
42 1 20 LYS O 1 24 GLU H 0.000 . 2.300 1.747 1.573 1.918 . 0 0 "[ . 1 . 2]" 2
43 1 21 ALA O 1 25 PHE N 0.000 . 3.300 2.704 2.573 2.790 . 0 0 "[ . 1 . 2]" 2
44 1 21 ALA O 1 25 PHE H 0.000 . 2.300 2.281 2.199 2.326 0.026 20 0 "[ . 1 . 2]" 2
45 1 32 THR O 1 36 LEU N 0.000 . 3.300 3.008 2.828 3.195 . 0 0 "[ . 1 . 2]" 2
46 1 32 THR O 1 36 LEU H 0.000 . 2.300 2.115 1.920 2.305 0.005 20 0 "[ . 1 . 2]" 2
47 1 33 TYR O 1 37 GLU N 0.000 . 3.300 2.810 2.643 3.058 . 0 0 "[ . 1 . 2]" 2
48 1 33 TYR O 1 37 GLU H 0.000 . 2.300 1.992 1.803 2.208 . 0 0 "[ . 1 . 2]" 2
49 1 34 LYS O 1 38 ALA N 0.000 . 3.300 3.092 2.890 3.217 . 0 0 "[ . 1 . 2]" 2
50 1 34 LYS O 1 38 ALA H 0.000 . 2.300 2.124 1.915 2.262 . 0 0 "[ . 1 . 2]" 2
51 1 35 GLN O 1 39 ALA N 0.000 . 3.300 3.037 2.973 3.128 . 0 0 "[ . 1 . 2]" 2
52 1 35 GLN O 1 39 ALA H 0.000 . 2.300 2.320 2.303 2.355 0.055 10 0 "[ . 1 . 2]" 2
53 1 36 LEU O 1 40 ARG N 0.000 . 3.300 2.731 2.506 2.910 . 0 0 "[ . 1 . 2]" 2
54 1 36 LEU O 1 40 ARG H 0.000 . 2.300 2.034 1.779 2.258 . 0 0 "[ . 1 . 2]" 2
55 1 37 GLU O 1 41 LYS N 0.000 . 3.300 2.893 2.756 3.075 . 0 0 "[ . 1 . 2]" 2
56 1 37 GLU O 1 41 LYS H 0.000 . 2.300 1.990 1.848 2.193 . 0 0 "[ . 1 . 2]" 2
57 1 15 THR OG1 1 18 GLU N 0.000 . 3.300 3.209 3.111 3.293 . 0 0 "[ . 1 . 2]" 2
58 1 15 THR OG1 1 18 GLU H 0.000 . 2.300 2.270 2.188 2.329 0.029 11 0 "[ . 1 . 2]" 2
59 1 15 THR N 1 18 GLU OE1 0.000 . 3.300 3.038 2.804 3.174 . 0 0 "[ . 1 . 2]" 2
60 1 15 THR H 1 18 GLU OE1 0.000 . 2.300 2.303 2.278 2.320 0.020 16 0 "[ . 1 . 2]" 2
61 1 32 THR OG1 1 35 GLN N 0.000 . 3.300 3.264 3.229 3.308 0.008 18 0 "[ . 1 . 2]" 2
62 1 32 THR OG1 1 35 GLN H 0.000 . 2.300 2.344 2.327 2.353 0.053 4 0 "[ . 1 . 2]" 2
63 1 32 THR N 1 35 GLN OE1 0.000 . 3.300 3.095 2.970 3.234 . 0 0 "[ . 1 . 2]" 2
64 1 32 THR H 1 35 GLN OE1 0.000 . 2.300 2.292 2.111 2.315 0.015 17 0 "[ . 1 . 2]" 2
65 1 39 ALA O 1 44 PHE N 0.000 . 3.300 3.033 2.770 3.093 . 0 0 "[ . 1 . 2]" 2
66 1 39 ALA O 1 44 PHE H 0.000 . 2.300 2.254 1.957 2.322 0.022 19 0 "[ . 1 . 2]" 2
67 1 40 ARG O 1 43 GLY N 0.000 . 3.300 3.110 3.039 3.220 . 0 0 "[ . 1 . 2]" 2
68 1 40 ARG O 1 43 GLY H 0.000 . 2.300 2.268 2.199 2.318 0.018 1 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, June 28, 2024 7:10:33 AM GMT (wattos1)