NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624970 |
5xe4   |
36070 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5xe4
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 1011
_Distance_constraint_stats_list.Viol_count 6167
_Distance_constraint_stats_list.Viol_total 29088.781
_Distance_constraint_stats_list.Viol_max 0.998
_Distance_constraint_stats_list.Viol_rms 0.1444
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0719
_Distance_constraint_stats_list.Viol_average_violations_only 0.2358
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLN 8.185 0.715 13 6 "[* * 1 -+ ** 2]"
1 4 SER 17.606 0.406 7 0 "[ . 1 . 2]"
1 5 ASP 8.841 0.406 7 0 "[ . 1 . 2]"
1 6 LYS 14.425 0.639 19 2 "[ . 1 . - +2]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 3.335 0.639 19 2 "[ . 1 . - +2]"
1 9 LYS 7.946 0.507 5 2 "[ + 1- . 2]"
1 10 TYR 17.055 0.715 13 7 "[* * 1-*+ ** 2]"
1 11 TYR 65.347 0.684 1 16 "[+ **.***** *-***** *]"
1 12 THR 83.309 0.610 7 15 "[* ****+*** -* *** *2]"
1 13 LEU 59.767 0.551 8 10 "[* *** + 1 - *** *2]"
1 14 GLU 29.538 0.640 12 10 "[ *** *1*+-*. **2]"
1 15 GLU 27.192 0.669 7 8 "[* *.*+**1 * . *]"
1 16 ILE 30.039 0.614 11 3 "[ . * -+ . 2]"
1 17 GLN 5.124 0.405 16 0 "[ . 1 . 2]"
1 18 LYS 2.271 0.294 19 0 "[ . 1 . 2]"
1 19 HIS 24.324 0.726 13 9 "[ * . ***1- + * **]"
1 20 LYS 5.854 0.562 15 4 "[ . ** 1- + 2]"
1 21 ASP 28.037 0.636 5 8 "[ **+ *1 * . - **]"
1 22 SER 13.742 0.777 4 6 "[- +. ** * . *2]"
1 23 LYS 36.925 0.636 5 8 "[ **+ *1 * . - **]"
1 24 SER 35.947 0.812 9 16 "[** .***+* *****-***]"
1 25 THR 33.801 0.509 19 1 "[ . 1 . +2]"
1 26 TRP 34.701 0.764 19 5 "[* * .* 1 . -+2]"
1 27 VAL 26.115 0.451 6 0 "[ . 1 . 2]"
1 28 ILE 54.303 0.657 7 14 "[* * **+**- ***** *2]"
1 29 LEU 60.711 0.704 20 18 "[* **-************ *+]"
1 30 HIS 36.450 0.689 19 11 "[ ** . * **-** . * +*]"
1 31 HIS 40.422 0.665 6 11 "[ **+****-** . * 2]"
1 32 LYS 39.207 0.676 20 18 "[******* **-******* +]"
1 33 VAL 64.983 0.572 2 14 "[*+ * * ******* **-2]"
1 34 TYR 49.860 0.603 20 15 "[** **** * ** ****-+]"
1 35 ASP 39.335 0.645 15 7 "[ * .* *1 * + -*2]"
1 36 LEU 58.805 0.660 19 5 "[* * .* 1 . -+2]"
1 37 THR 46.691 0.812 9 16 "[** .***+* *****-***]"
1 38 LYS 27.060 0.691 16 12 "[*** .* *** *.+*- *]"
1 39 PHE 35.800 0.740 7 17 "[*** **+ ********-**]"
1 40 LEU 17.993 0.520 2 2 "[ + . 1 . -2]"
1 41 GLU 31.956 0.777 4 18 "[* *+****-*****.*****]"
1 42 GLU 24.056 0.663 20 7 "[ . 1** *.- **+]"
1 43 TRP 25.708 0.697 13 17 "[******-**** +*.* ***]"
1 44 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.601 0.148 6 0 "[ . 1 . 2]"
1 46 GLY 22.964 0.634 2 17 "[*+********** **** -]"
1 47 GLU 10.375 0.693 16 8 "[- .* 1** *.+** 2]"
1 48 GLU 9.758 0.625 14 2 "[ . -1 +. 2]"
1 49 VAL 19.800 0.634 2 17 "[*+********** **** -]"
1 50 LEU 18.129 0.519 20 1 "[ . 1 . +]"
1 51 ARG 12.003 0.789 15 6 "[ . - *1 *+ * *2]"
1 52 GLU 16.562 0.656 14 4 "[ . *1 +. *-]"
1 53 GLN 17.062 0.789 15 5 "[ * . - 1 * + * 2]"
1 54 ALA 13.225 0.415 13 0 "[ . 1 . 2]"
1 55 GLY 0.441 0.102 5 0 "[ . 1 . 2]"
1 56 GLY 1.302 0.252 9 0 "[ . 1 . 2]"
1 57 ASP 6.604 0.658 13 9 "[ **. - *1 + .****2]"
1 58 ALA 29.844 0.622 1 11 "[+* ** * *** -* * 2]"
1 59 THR 37.092 0.689 19 13 "[ ** *-* ** ** ** *+2]"
1 60 GLU 11.944 0.622 1 5 "[+ . * 1 - *. * 2]"
1 61 ASN 61.921 0.658 13 19 "[ *****-*****+*******]"
1 62 PHE 64.644 0.738 17 16 "[* **-****1****.*+ **]"
1 63 GLU 5.588 0.455 5 0 "[ . 1 . 2]"
1 64 ASP 17.408 0.538 12 2 "[ * . 1 + . 2]"
1 65 VAL 42.583 0.738 17 8 "[* ** 1* *. +* *]"
1 66 GLY 23.034 0.524 17 2 "[ . 1 . +- 2]"
1 67 PHE 33.008 0.721 13 15 "[ **** * **- +***** *]"
1 68 SER 13.868 0.708 5 13 "[ ***+ * *- ***** *]"
1 69 THR 21.287 0.998 20 15 "[* ***-***** * *** +]"
1 70 ASP 9.866 0.721 13 10 "[ * * *** + **- *]"
1 71 ALA 24.085 0.587 2 1 "[ + . 1 . 2]"
1 72 ARG 29.849 0.998 20 15 "[* **-****** * *** +]"
1 73 GLU 11.696 0.592 7 2 "[ . + 1 -. 2]"
1 74 LEU 2.234 0.393 13 0 "[ . 1 . 2]"
1 75 SER 30.820 0.642 3 7 "[ *+ . * 1 -**.* 2]"
1 76 LYS 43.168 0.740 7 14 "[*** * +* 1* *****- *]"
1 77 LYS 36.320 0.680 11 17 "[*** ***- *+******* *]"
1 78 TYR 40.479 0.625 1 7 "[+ * . * * * . -*2]"
1 79 ILE 43.519 0.645 15 6 "[ * .* -1 * + * 2]"
1 80 ILE 28.096 0.684 1 10 "[+ * .*** 1 *-. ** *]"
1 81 GLY 37.546 0.676 20 10 "[* * . * ***-* . * +]"
1 82 GLU 24.678 0.472 19 0 "[ . 1 . 2]"
1 83 LEU 110.960 0.704 20 19 "[****-************* +]"
1 84 HIS 26.611 0.640 12 5 "[ * 1*+ *. - 2]"
1 85 PRO 9.512 0.498 18 0 "[ . 1 . 2]"
1 86 ASP 33.979 0.618 7 7 "[ **.*+ 1*- *. 2]"
1 87 ASP 115.175 0.699 11 17 "[** *******+****** *]"
1 88 ARG 35.095 0.618 7 3 "[ -*. + 1 . 2]"
1 89 SER 32.997 0.699 11 11 "[** * **+- *** *]"
1 90 LYS 21.839 0.624 16 3 "[- . 1 *.+ 2]"
1 91 ILE 81.524 0.674 7 14 "[** ***+ ** * .-****]"
1 92 ALA 39.846 0.716 1 6 "[+ . * - ** * 2]"
1 93 LYS 42.429 0.716 1 12 "[+ ** * 1 ****-** *]"
1 94 PRO 19.563 0.570 12 6 "[ *. * 1 +- * * 2]"
1 95 SER 39.636 0.775 18 18 "[*-*******1** ****+**]"
1 96 GLU 28.732 0.700 15 9 "[ ** ** 1 **+- *2]"
1 97 THR 13.348 0.775 18 12 "[***-.* **1 * *.* + *]"
1 98 LEU 20.094 0.616 6 9 "[ * *.+ * 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 GLN H 1 4 SER H . . 4.500 4.599 4.508 4.658 0.158 15 0 "[ . 1 . 2]" 1
2 1 3 GLN HA 1 4 SER H . . 2.500 2.346 2.208 2.594 0.094 1 0 "[ . 1 . 2]" 1
3 1 4 SER H 1 4 SER HG . . 2.800 2.987 2.705 3.127 0.327 6 0 "[ . 1 . 2]" 1
4 1 4 SER H 1 4 SER HB2 . . 3.420 3.562 3.512 3.598 0.178 1 0 "[ . 1 . 2]" 1
5 1 4 SER H 1 4 SER HA . . 3.100 2.785 2.715 2.826 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLN H 1 5 ASP H . . 6.000 5.048 4.626 5.622 . 0 0 "[ . 1 . 2]" 1
7 1 4 SER HG 1 5 ASP H . . 2.650 2.391 2.226 2.583 . 0 0 "[ . 1 . 2]" 1
8 1 4 SER HB2 1 5 ASP H . . 3.500 3.801 3.644 3.906 0.406 7 0 "[ . 1 . 2]" 1
9 1 5 ASP H 1 5 ASP QB . . 3.000 2.423 2.321 2.529 . 0 0 "[ . 1 . 2]" 1
10 1 5 ASP H 1 5 ASP HA . . 3.100 2.829 2.765 2.862 . 0 0 "[ . 1 . 2]" 1
11 1 4 SER HA 1 5 ASP H . . 3.600 3.483 3.432 3.524 . 0 0 "[ . 1 . 2]" 1
12 1 5 ASP H 1 6 LYS H . . 3.200 2.682 2.546 2.812 . 0 0 "[ . 1 . 2]" 1
13 1 4 SER H 1 6 LYS H . . 4.400 4.358 4.081 4.643 0.243 7 0 "[ . 1 . 2]" 1
14 1 5 ASP HA 1 6 LYS H . . 3.500 3.429 3.357 3.502 0.002 15 0 "[ . 1 . 2]" 1
15 1 5 ASP QB 1 6 LYS H . . 3.000 3.130 2.850 3.329 0.329 3 0 "[ . 1 . 2]" 1
16 1 6 LYS H 1 6 LYS HA . . 3.000 2.817 2.767 2.865 . 0 0 "[ . 1 . 2]" 1
17 1 4 SER HB3 1 6 LYS H . . 5.600 5.705 5.559 5.892 0.292 12 0 "[ . 1 . 2]" 1
18 1 6 LYS H 1 6 LYS HB3 . . 3.670 2.540 2.372 3.561 . 0 0 "[ . 1 . 2]" 1
19 1 6 LYS H 1 6 LYS QE . . 5.700 5.243 3.955 6.126 0.426 11 0 "[ . 1 . 2]" 1
20 1 6 LYS H 1 6 LYS QZ . . 5.860 5.591 3.903 6.247 0.387 8 0 "[ . 1 . 2]" 1
21 1 6 LYS H 1 7 ASP HA . . 5.500 5.351 5.232 5.490 . 0 0 "[ . 1 . 2]" 1
22 1 4 SER HG 1 6 LYS H . . 5.700 4.806 4.706 4.974 . 0 0 "[ . 1 . 2]" 1
23 1 6 LYS H 1 6 LYS QD . . 4.630 4.455 3.763 4.826 0.196 16 0 "[ . 1 . 2]" 1
24 1 5 ASP HA 1 7 ASP H . . 5.100 4.077 3.874 4.347 . 0 0 "[ . 1 . 2]" 1
25 1 6 LYS HB3 1 8 VAL H . . 4.900 5.036 4.717 5.539 0.639 19 2 "[ . 1 . - +2]" 1
26 1 6 LYS H 1 8 VAL H . . 5.800 4.234 3.958 4.547 . 0 0 "[ . 1 . 2]" 1
27 1 8 VAL H 1 81 GLY QA . . 5.950 5.262 4.946 5.765 . 0 0 "[ . 1 . 2]" 1
28 1 9 LYS H 1 81 GLY QA . . 2.300 2.083 1.894 2.357 0.057 17 0 "[ . 1 . 2]" 1
29 1 9 LYS H 1 82 GLU QG . . 4.800 4.775 4.463 5.014 0.214 5 0 "[ . 1 . 2]" 1
30 1 8 VAL MG2 1 9 LYS H . . 3.200 2.926 2.667 3.123 . 0 0 "[ . 1 . 2]" 1
31 1 9 LYS H 1 9 LYS QD . . 4.600 4.115 3.664 4.612 0.012 12 0 "[ . 1 . 2]" 1
32 1 8 VAL HA 1 9 LYS H . . 2.400 2.195 2.146 2.295 . 0 0 "[ . 1 . 2]" 1
33 1 9 LYS H 1 11 TYR QE . . 5.100 4.931 4.678 5.222 0.122 9 0 "[ . 1 . 2]" 1
34 1 3 GLN HG3 1 10 TYR H . . 5.700 5.980 5.242 6.415 0.715 13 6 "[* * 1 -+ ** 2]" 1
35 1 10 TYR H 1 10 TYR HB3 . . 3.800 3.566 3.534 3.617 . 0 0 "[ . 1 . 2]" 1
36 1 10 TYR H 1 82 GLU QG . . 4.900 4.541 4.264 4.897 . 0 0 "[ . 1 . 2]" 1
37 1 9 LYS HA 1 10 TYR H . . 2.350 2.121 2.086 2.184 . 0 0 "[ . 1 . 2]" 1
38 1 10 TYR H 1 81 GLY QA . . 5.580 4.767 4.658 5.006 . 0 0 "[ . 1 . 2]" 1
39 1 9 LYS QD 1 10 TYR H . . 5.100 5.033 2.446 5.436 0.336 2 0 "[ . 1 . 2]" 1
40 1 9 LYS QB 1 10 TYR H . . 3.240 3.330 3.015 3.747 0.507 5 2 "[ + 1- . 2]" 1
41 1 10 TYR H 1 10 TYR HB2 . . 3.550 2.305 2.254 2.393 . 0 0 "[ . 1 . 2]" 1
42 1 10 TYR H 1 10 TYR QD . . 2.400 2.291 2.096 2.574 0.174 18 0 "[ . 1 . 2]" 1
43 1 10 TYR H 1 11 TYR QD . . 4.700 4.347 4.193 4.691 . 0 0 "[ . 1 . 2]" 1
44 1 10 TYR H 1 84 HIS HD2 . . 6.000 5.851 5.458 6.374 0.374 4 0 "[ . 1 . 2]" 1
45 1 10 TYR H 1 10 TYR QE . . 4.750 4.610 4.396 4.899 0.149 18 0 "[ . 1 . 2]" 1
46 1 10 TYR H 1 11 TYR H . . 4.400 4.180 4.061 4.362 . 0 0 "[ . 1 . 2]" 1
47 1 10 TYR H 1 11 TYR HA . . 5.300 5.240 5.149 5.372 0.072 18 0 "[ . 1 . 2]" 1
48 1 11 TYR H 1 12 THR MG . . 4.900 5.362 5.107 5.472 0.572 6 10 "[ *.+ *** *- *** 2]" 1
49 1 9 LYS QB 1 11 TYR H . . 5.100 4.538 4.254 5.063 . 0 0 "[ . 1 . 2]" 1
50 1 11 TYR H 1 82 GLU QB . . 5.200 5.121 5.008 5.236 0.036 9 0 "[ . 1 . 2]" 1
51 1 10 TYR QD 1 11 TYR H . . 4.800 4.720 4.429 4.829 0.029 5 0 "[ . 1 . 2]" 1
52 1 11 TYR H 1 11 TYR QD . . 2.900 2.751 2.476 2.944 0.044 18 0 "[ . 1 . 2]" 1
53 1 10 TYR HB2 1 11 TYR H . . 4.600 4.531 4.446 4.579 . 0 0 "[ . 1 . 2]" 1
54 1 10 TYR HA 1 11 TYR H . . 2.300 2.152 2.072 2.222 . 0 0 "[ . 1 . 2]" 1
55 1 11 TYR H 1 11 TYR HA . . 3.100 2.919 2.889 2.967 . 0 0 "[ . 1 . 2]" 1
56 1 11 TYR H 1 11 TYR QB . . 3.500 2.217 2.148 2.344 . 0 0 "[ . 1 . 2]" 1
57 1 11 TYR H 1 11 TYR QE . . 5.200 5.049 4.801 5.235 0.035 19 0 "[ . 1 . 2]" 1
58 1 11 TYR H 1 84 HIS HB2 . . 6.000 6.046 5.732 6.340 0.340 5 0 "[ . 1 . 2]" 1
59 1 11 TYR QD 1 12 THR H . . 3.500 3.802 3.628 3.903 0.403 17 0 "[ . 1 . 2]" 1
60 1 11 TYR QE 1 12 THR H . . 5.400 5.580 5.449 5.719 0.319 17 0 "[ . 1 . 2]" 1
61 1 11 TYR H 1 12 THR H . . 4.600 4.558 4.490 4.611 0.011 14 0 "[ . 1 . 2]" 1
62 1 11 TYR HA 1 12 THR H . . 2.620 2.226 2.164 2.300 . 0 0 "[ . 1 . 2]" 1
63 1 11 TYR QB 1 12 THR H . . 2.700 2.927 2.829 2.973 0.273 15 0 "[ . 1 . 2]" 1
64 1 12 THR H 1 12 THR MG . . 4.000 2.633 2.508 2.878 . 0 0 "[ . 1 . 2]" 1
65 1 12 THR H 1 12 THR HA . . 3.100 2.960 2.949 2.977 . 0 0 "[ . 1 . 2]" 1
66 1 12 THR H 1 12 THR HB . . 3.880 3.737 3.699 3.796 . 0 0 "[ . 1 . 2]" 1
67 1 12 THR H 1 13 LEU H . . 4.400 4.498 4.458 4.531 0.131 3 0 "[ . 1 . 2]" 1
68 1 12 THR H 1 15 GLU H . . 4.100 3.864 3.610 4.147 0.047 13 0 "[ . 1 . 2]" 1
69 1 12 THR H 1 16 ILE H . . 4.500 4.887 4.611 5.110 0.610 7 2 "[ . + - . 2]" 1
70 1 12 THR H 1 14 GLU H . . 5.500 5.032 4.815 5.184 . 0 0 "[ . 1 . 2]" 1
71 1 12 THR H 1 16 ILE QG . . 4.300 4.344 4.085 4.626 0.326 3 0 "[ . 1 . 2]" 1
72 1 12 THR H 1 84 HIS HD1 . . 6.100 5.163 4.191 5.936 . 0 0 "[ . 1 . 2]" 1
73 1 12 THR H 1 87 ASP HB2 . . 5.700 5.896 5.723 6.063 0.363 7 0 "[ . 1 . 2]" 1
74 1 12 THR MG 1 13 LEU H . . 4.300 3.962 3.716 4.073 . 0 0 "[ . 1 . 2]" 1
75 1 12 THR HA 1 13 LEU H . . 2.300 2.250 2.206 2.299 . 0 0 "[ . 1 . 2]" 1
76 1 12 THR HB 1 13 LEU H . . 3.580 2.947 2.781 3.122 . 0 0 "[ . 1 . 2]" 1
77 1 12 THR HG1 1 13 LEU H . . 4.100 4.562 4.364 4.651 0.551 8 10 "[* *** + 1 - *** *2]" 1
78 1 13 LEU H 1 13 LEU HG . . 4.500 4.631 4.607 4.670 0.170 16 0 "[ . 1 . 2]" 1
79 1 13 LEU H 1 13 LEU QB . . 2.800 2.244 2.184 2.279 . 0 0 "[ . 1 . 2]" 1
80 1 13 LEU H 1 13 LEU HA . . 3.100 2.841 2.808 2.880 . 0 0 "[ . 1 . 2]" 1
81 1 13 LEU H 1 87 ASP HB3 . . 2.400 1.820 1.735 2.018 . 0 0 "[ . 1 . 2]" 1
82 1 13 LEU H 1 83 LEU MD2 . . 2.500 2.818 2.654 2.896 0.396 3 0 "[ . 1 . 2]" 1
83 1 13 LEU H 1 83 LEU MD1 . . 2.500 2.402 2.209 2.708 0.208 16 0 "[ . 1 . 2]" 1
84 1 13 LEU H 1 16 ILE H . . 5.000 4.951 4.753 5.097 0.097 14 0 "[ . 1 . 2]" 1
85 1 13 LEU H 1 83 LEU HA . . 4.920 5.261 5.021 5.366 0.446 4 0 "[ . 1 . 2]" 1
86 1 13 LEU H 1 87 ASP HB2 . . 2.380 2.537 2.390 2.632 0.252 18 0 "[ . 1 . 2]" 1
87 1 12 THR MG 1 14 GLU H . . 3.770 4.108 3.967 4.241 0.471 1 0 "[ . 1 . 2]" 1
88 1 12 THR HG1 1 14 GLU H . . 3.300 3.429 3.156 3.740 0.440 9 0 "[ . 1 . 2]" 1
89 1 12 THR HA 1 14 GLU H . . 4.200 3.759 3.532 3.923 . 0 0 "[ . 1 . 2]" 1
90 1 13 LEU H 1 14 GLU H . . 2.900 2.487 2.375 2.586 . 0 0 "[ . 1 . 2]" 1
91 1 13 LEU QB 1 14 GLU H . . 3.000 2.974 2.747 3.302 0.302 13 0 "[ . 1 . 2]" 1
92 1 13 LEU HA 1 14 GLU H . . 3.600 3.447 3.370 3.491 . 0 0 "[ . 1 . 2]" 1
93 1 14 GLU H 1 87 ASP HB3 . . 4.100 3.227 2.891 3.457 . 0 0 "[ . 1 . 2]" 1
94 1 14 GLU H 1 90 LYS QE . . 5.800 4.870 3.961 6.105 0.305 1 0 "[ . 1 . 2]" 1
95 1 14 GLU H 1 14 GLU QB . . 2.260 2.211 2.116 2.411 0.151 16 0 "[ . 1 . 2]" 1
96 1 14 GLU H 1 15 GLU QB . . 5.000 4.422 4.194 4.644 . 0 0 "[ . 1 . 2]" 1
97 1 14 GLU H 1 91 ILE HB . . 4.770 4.970 4.367 5.314 0.544 9 4 "[ . * +1 - . *2]" 1
98 1 14 GLU H 1 14 GLU HA . . 3.000 2.817 2.764 2.862 . 0 0 "[ . 1 . 2]" 1
99 1 14 GLU H 1 15 GLU H . . 2.900 2.697 2.519 2.889 . 0 0 "[ . 1 . 2]" 1
100 1 14 GLU H 1 16 ILE HB . . 5.850 5.338 5.021 5.566 . 0 0 "[ . 1 . 2]" 1
101 1 14 GLU H 1 83 LEU MD1 . . 4.900 4.484 4.320 4.715 . 0 0 "[ . 1 . 2]" 1
102 1 14 GLU H 1 83 LEU MD2 . . 4.900 4.467 4.329 4.531 . 0 0 "[ . 1 . 2]" 1
103 1 14 GLU H 1 84 HIS HD1 . . 6.100 6.181 5.634 6.740 0.640 12 5 "[ * 1*+ *. - 2]" 1
104 1 14 GLU H 1 87 ASP HB2 . . 4.100 4.539 4.286 4.669 0.569 14 4 "[ .** 1 - +. 2]" 1
105 1 14 GLU H 1 90 LYS QZ . . 5.400 4.477 3.657 5.620 0.220 11 0 "[ . 1 . 2]" 1
106 1 12 THR MG 1 15 GLU H . . 3.520 3.986 3.947 4.053 0.533 7 1 "[ . + 1 . 2]" 1
107 1 11 TYR QD 1 15 GLU H . . 6.000 5.464 5.164 5.783 . 0 0 "[ . 1 . 2]" 1
108 1 11 TYR QB 1 15 GLU H . . 6.000 5.371 5.091 5.652 . 0 0 "[ . 1 . 2]" 1
109 1 12 THR HA 1 15 GLU H . . 4.610 4.426 4.277 4.651 0.041 13 0 "[ . 1 . 2]" 1
110 1 12 THR HG1 1 15 GLU H . . 2.110 2.159 1.999 2.343 0.233 13 0 "[ . 1 . 2]" 1
111 1 14 GLU HA 1 15 GLU H . . 3.570 3.569 3.539 3.601 0.031 4 0 "[ . 1 . 2]" 1
112 1 12 THR HB 1 15 GLU H . . 4.190 3.112 2.941 3.364 . 0 0 "[ . 1 . 2]" 1
113 1 14 GLU QB 1 15 GLU H . . 3.400 2.556 2.380 2.745 . 0 0 "[ . 1 . 2]" 1
114 1 15 GLU H 1 15 GLU QB . . 2.600 2.249 2.207 2.299 . 0 0 "[ . 1 . 2]" 1
115 1 15 GLU H 1 16 ILE HB . . 5.100 4.997 4.742 5.150 0.050 12 0 "[ . 1 . 2]" 1
116 1 15 GLU H 1 15 GLU HA . . 3.110 2.830 2.802 2.859 . 0 0 "[ . 1 . 2]" 1
117 1 15 GLU H 1 17 GLN H . . 3.810 4.000 3.809 4.215 0.405 16 0 "[ . 1 . 2]" 1
118 1 15 GLU H 1 87 ASP HB3 . . 5.800 5.577 5.250 5.812 0.012 4 0 "[ . 1 . 2]" 1
119 1 13 LEU HA 1 15 GLU H . . 4.100 4.162 3.946 4.318 0.218 14 0 "[ . 1 . 2]" 1
120 1 15 GLU H 1 87 ASP HB2 . . 6.000 6.472 6.174 6.669 0.669 7 8 "[- *.*+**1 * . *]" 1
121 1 12 THR MG 1 16 ILE H . . 5.640 5.812 5.672 5.930 0.290 12 0 "[ . 1 . 2]" 1
122 1 15 GLU H 1 16 ILE H . . 2.590 2.650 2.562 2.737 0.147 18 0 "[ . 1 . 2]" 1
123 1 15 GLU HA 1 16 ILE H . . 3.720 3.527 3.451 3.571 . 0 0 "[ . 1 . 2]" 1
124 1 12 THR HB 1 16 ILE H . . 6.100 5.284 5.132 5.563 . 0 0 "[ . 1 . 2]" 1
125 1 15 GLU QG 1 16 ILE H . . 4.550 3.740 3.416 4.158 . 0 0 "[ . 1 . 2]" 1
126 1 16 ILE H 1 16 ILE HA . . 3.100 2.871 2.834 2.926 . 0 0 "[ . 1 . 2]" 1
127 1 16 ILE H 1 17 GLN QG . . 6.000 5.207 4.047 6.263 0.263 20 0 "[ . 1 . 2]" 1
128 1 16 ILE H 1 17 GLN H . . 2.610 2.497 2.223 2.646 0.036 5 0 "[ . 1 . 2]" 1
129 1 16 ILE H 1 19 HIS HD1 . . 5.710 5.959 5.457 6.324 0.614 11 1 "[ . 1+ . 2]" 1
130 1 16 ILE H 1 28 ILE MG . . 6.000 5.874 5.732 6.038 0.038 2 0 "[ . 1 . 2]" 1
131 1 16 ILE H 1 16 ILE MD . . 3.600 3.610 3.505 3.708 0.108 11 0 "[ . 1 . 2]" 1
132 1 13 LEU QD 1 16 ILE H . . 4.800 4.017 3.657 4.274 . 0 0 "[ . 1 . 2]" 1
133 1 16 ILE H 1 55 GLY QA . . 6.000 5.461 5.082 5.713 . 0 0 "[ . 1 . 2]" 1
134 1 16 ILE H 1 19 HIS H . . 6.100 6.260 5.730 6.561 0.461 2 0 "[ . 1 . 2]" 1
135 1 17 GLN HA 1 19 HIS H . . 4.420 3.355 2.969 3.780 . 0 0 "[ . 1 . 2]" 1
136 1 18 LYS HA 1 19 HIS H . . 2.860 2.964 2.805 3.154 0.294 19 0 "[ . 1 . 2]" 1
137 1 18 LYS QB 1 19 HIS H . . 4.220 3.837 3.631 4.113 . 0 0 "[ . 1 . 2]" 1
138 1 19 HIS H 1 19 HIS QB . . 3.430 2.716 2.435 2.845 . 0 0 "[ . 1 . 2]" 1
139 1 19 HIS H 1 19 HIS HE1 . . 4.700 4.507 4.311 4.759 0.059 10 0 "[ . 1 . 2]" 1
140 1 19 HIS H 1 19 HIS HA . . 3.100 2.845 2.735 2.907 . 0 0 "[ . 1 . 2]" 1
141 1 19 HIS H 1 20 LYS QG . . 4.740 4.757 3.866 5.302 0.562 15 4 "[ . ** 1- + 2]" 1
142 1 19 HIS H 1 51 ARG QG . . 5.800 5.376 4.935 6.034 0.234 11 0 "[ . 1 . 2]" 1
143 1 19 HIS H 1 54 ALA MB . . 5.500 4.521 4.285 5.459 . 0 0 "[ . 1 . 2]" 1
144 1 19 HIS QB 1 21 ASP H . . 4.840 3.947 2.938 4.286 . 0 0 "[ . 1 . 2]" 1
145 1 21 ASP H 1 21 ASP QB . . 3.200 2.815 2.598 2.938 . 0 0 "[ . 1 . 2]" 1
146 1 19 HIS HA 1 21 ASP H . . 4.300 3.132 2.826 3.474 . 0 0 "[ . 1 . 2]" 1
147 1 20 LYS QG 1 21 ASP H . . 5.420 4.480 3.361 4.999 . 0 0 "[ . 1 . 2]" 1
148 1 21 ASP H 1 23 LYS QG . . 5.680 5.708 4.830 6.316 0.636 5 7 "[ **+ *1 * . - *2]" 1
149 1 21 ASP H 1 51 ARG HG3 . . 5.500 3.705 3.102 4.589 . 0 0 "[ . 1 . 2]" 1
150 1 20 LYS QD 1 21 ASP H . . 5.280 4.694 3.147 5.609 0.329 3 0 "[ . 1 . 2]" 1
151 1 20 LYS QB 1 21 ASP H . . 3.850 3.747 3.563 4.028 0.178 19 0 "[ . 1 . 2]" 1
152 1 21 ASP H 1 23 LYS QD . . 5.200 5.127 4.155 5.653 0.453 9 0 "[ . 1 . 2]" 1
153 1 21 ASP H 1 25 THR HA . . 5.700 5.757 5.191 6.146 0.446 11 0 "[ . 1 . 2]" 1
154 1 21 ASP H 1 24 SER HA . . 5.800 5.688 5.319 6.077 0.277 6 0 "[ . 1 . 2]" 1
155 1 21 ASP H 1 22 SER HA . . 5.370 4.930 4.760 5.173 . 0 0 "[ . 1 . 2]" 1
156 1 21 ASP H 1 24 SER QB . . 3.700 3.066 2.552 3.817 0.117 6 0 "[ . 1 . 2]" 1
157 1 20 LYS HA 1 21 ASP H . . 3.400 3.114 2.966 3.178 . 0 0 "[ . 1 . 2]" 1
158 1 21 ASP H 1 22 SER H . . 4.650 4.372 4.325 4.458 . 0 0 "[ . 1 . 2]" 1
159 1 21 ASP H 1 24 SER H . . 3.740 3.948 3.648 4.116 0.376 13 0 "[ . 1 . 2]" 1
160 1 21 ASP H 1 51 ARG HE . . 6.100 4.831 4.045 6.422 0.322 4 0 "[ . 1 . 2]" 1
161 1 21 ASP HA 1 22 SER H . . 2.610 2.417 2.324 2.464 . 0 0 "[ . 1 . 2]" 1
162 1 21 ASP QB 1 22 SER H . . 3.470 3.095 2.364 3.330 . 0 0 "[ . 1 . 2]" 1
163 1 22 SER H 1 22 SER HA . . 3.130 2.827 2.771 2.881 . 0 0 "[ . 1 . 2]" 1
164 1 22 SER H 1 23 LYS H . . 2.640 2.655 2.501 2.802 0.162 12 0 "[ . 1 . 2]" 1
165 1 22 SER H 1 40 LEU QD . . 4.700 4.462 4.164 4.718 0.018 2 0 "[ . 1 . 2]" 1
166 1 22 SER H 1 23 LYS QB . . 4.800 4.916 4.660 5.068 0.268 18 0 "[ . 1 . 2]" 1
167 1 22 SER H 1 23 LYS QD . . 5.700 4.396 3.111 5.623 . 0 0 "[ . 1 . 2]" 1
168 1 22 SER H 1 22 SER QB . . 3.100 2.587 2.478 2.838 . 0 0 "[ . 1 . 2]" 1
169 1 22 SER H 1 24 SER H . . 4.300 4.074 3.710 4.442 0.142 3 0 "[ . 1 . 2]" 1
170 1 21 ASP HA 1 23 LYS H . . 3.980 4.393 4.201 4.535 0.555 9 4 "[ . +1 * . *-]" 1
171 1 21 ASP QB 1 23 LYS H . . 3.170 2.996 2.465 3.396 0.226 13 0 "[ . 1 . 2]" 1
172 1 22 SER HG 1 23 LYS H . . 4.720 4.369 1.972 5.031 0.311 15 0 "[ . 1 . 2]" 1
173 1 23 LYS H 1 23 LYS HA . . 3.120 2.862 2.819 2.912 . 0 0 "[ . 1 . 2]" 1
174 1 23 LYS H 1 23 LYS QB . . 3.200 2.611 2.258 2.832 . 0 0 "[ . 1 . 2]" 1
175 1 23 LYS H 1 23 LYS QD . . 3.800 2.792 1.842 3.838 0.038 11 0 "[ . 1 . 2]" 1
176 1 23 LYS H 1 23 LYS QG . . 3.420 2.664 1.963 3.714 0.294 12 0 "[ . 1 . 2]" 1
177 1 23 LYS H 1 23 LYS QZ . . 5.300 4.780 3.104 5.699 0.399 11 0 "[ . 1 . 2]" 1
178 1 23 LYS H 1 23 LYS QE . . 5.000 4.353 3.783 4.892 . 0 0 "[ . 1 . 2]" 1
179 1 23 LYS H 1 24 SER H . . 2.330 2.569 2.457 2.642 0.312 4 0 "[ . 1 . 2]" 1
180 1 23 LYS H 1 37 THR HG1 . . 5.000 4.486 4.009 5.190 0.190 6 0 "[ . 1 . 2]" 1
181 1 23 LYS H 1 25 THR HG1 . . 4.900 4.731 4.360 5.256 0.356 9 0 "[ . 1 . 2]" 1
182 1 23 LYS H 1 37 THR HA . . 5.800 5.885 5.493 6.283 0.483 9 0 "[ . 1 . 2]" 1
183 1 23 LYS QG 1 24 SER H . . 3.210 2.927 2.489 3.399 0.189 18 0 "[ . 1 . 2]" 1
184 1 21 ASP QB 1 24 SER H . . 3.100 2.632 2.084 3.396 0.296 17 0 "[ . 1 . 2]" 1
185 1 21 ASP HA 1 24 SER H . . 4.810 4.706 4.416 5.053 0.243 17 0 "[ . 1 . 2]" 1
186 1 19 HIS HA 1 24 SER H . . 5.100 4.940 4.427 5.689 0.589 19 1 "[ . 1 . +2]" 1
187 1 19 HIS QB 1 24 SER H . . 5.540 5.591 4.130 6.186 0.646 19 3 "[ . *1 . +-]" 1
188 1 23 LYS QZ 1 24 SER H . . 4.850 4.685 3.955 5.105 0.255 2 0 "[ . 1 . 2]" 1
189 1 23 LYS HA 1 24 SER H . . 3.720 3.454 3.364 3.539 . 0 0 "[ . 1 . 2]" 1
190 1 23 LYS QE 1 24 SER H . . 4.190 4.193 3.338 4.630 0.440 8 0 "[ . 1 . 2]" 1
191 1 23 LYS QD 1 24 SER H . . 3.100 2.674 1.850 3.364 0.264 2 0 "[ . 1 . 2]" 1
192 1 24 SER H 1 24 SER HA . . 3.130 2.956 2.924 2.971 . 0 0 "[ . 1 . 2]" 1
193 1 24 SER H 1 25 THR HB . . 5.220 4.984 4.632 5.257 0.037 2 0 "[ . 1 . 2]" 1
194 1 24 SER H 1 24 SER QB . . 3.000 2.484 2.311 2.635 . 0 0 "[ . 1 . 2]" 1
195 1 24 SER H 1 37 THR HB . . 6.000 5.316 4.334 6.658 0.658 12 7 "[ .- * 1 +*** * 2]" 1
196 1 24 SER QB 1 25 THR H . . 4.330 3.977 3.870 4.099 . 0 0 "[ . 1 . 2]" 1
197 1 25 THR H 1 25 THR HB . . 3.200 2.971 2.841 3.073 . 0 0 "[ . 1 . 2]" 1
198 1 24 SER H 1 25 THR H . . 4.100 3.666 3.432 3.954 . 0 0 "[ . 1 . 2]" 1
199 1 24 SER HA 1 25 THR H . . 2.900 2.367 2.248 2.435 . 0 0 "[ . 1 . 2]" 1
200 1 25 THR H 1 25 THR HA . . 3.100 2.921 2.888 2.940 . 0 0 "[ . 1 . 2]" 1
201 1 25 THR H 1 25 THR HG1 . . 3.910 3.200 3.054 3.395 . 0 0 "[ . 1 . 2]" 1
202 1 25 THR H 1 37 THR H . . 3.870 4.137 3.781 4.348 0.478 9 0 "[ . 1 . 2]" 1
203 1 25 THR H 1 54 ALA MB . . 6.100 4.987 4.556 5.794 . 0 0 "[ . 1 . 2]" 1
204 1 16 ILE HB 1 26 TRP H . . 5.270 5.310 5.012 5.623 0.353 13 0 "[ . 1 . 2]" 1
205 1 25 THR HA 1 26 TRP H . . 2.220 2.148 2.109 2.191 . 0 0 "[ . 1 . 2]" 1
206 1 16 ILE HA 1 26 TRP H . . 4.900 4.345 3.838 4.885 . 0 0 "[ . 1 . 2]" 1
207 1 24 SER HA 1 26 TRP H . . 6.100 5.527 5.360 5.697 . 0 0 "[ . 1 . 2]" 1
208 1 25 THR HB 1 26 TRP H . . 4.200 4.290 4.216 4.339 0.139 4 0 "[ . 1 . 2]" 1
209 1 26 TRP H 1 55 GLY QA . . 4.800 4.757 4.569 4.902 0.102 5 0 "[ . 1 . 2]" 1
210 1 25 THR MG 1 26 TRP H . . 2.590 2.931 2.729 3.007 0.417 2 0 "[ . 1 . 2]" 1
211 1 26 TRP H 1 26 TRP HE3 . . 3.970 3.243 2.863 3.500 . 0 0 "[ . 1 . 2]" 1
212 1 26 TRP H 1 26 TRP HD1 . . 5.150 5.262 5.189 5.323 0.173 19 0 "[ . 1 . 2]" 1
213 1 26 TRP H 1 26 TRP HA . . 3.100 2.936 2.924 2.945 . 0 0 "[ . 1 . 2]" 1
214 1 26 TRP H 1 26 TRP HB2 . . 3.030 2.871 2.751 2.930 . 0 0 "[ . 1 . 2]" 1
215 1 26 TRP H 1 26 TRP HB3 . . 3.960 3.914 3.840 3.952 . 0 0 "[ . 1 . 2]" 1
216 1 26 TRP H 1 54 ALA MB . . 3.160 2.180 1.792 3.260 0.100 19 0 "[ . 1 . 2]" 1
217 1 16 ILE QG 1 26 TRP H . . 5.500 4.321 4.050 4.550 . 0 0 "[ . 1 . 2]" 1
218 1 26 TRP H 1 36 LEU HG . . 4.940 5.302 5.052 5.471 0.531 3 3 "[ + .* 1 . - 2]" 1
219 1 26 TRP HB3 1 27 VAL H . . 4.900 2.567 2.407 2.810 . 0 0 "[ . 1 . 2]" 1
220 1 26 TRP HD1 1 27 VAL H . . 4.140 4.260 4.162 4.480 0.340 5 0 "[ . 1 . 2]" 1
221 1 27 VAL H 1 34 TYR QD . . 5.100 4.302 4.000 4.576 . 0 0 "[ . 1 . 2]" 1
222 1 26 TRP HB2 1 27 VAL H . . 4.930 3.671 3.538 3.867 . 0 0 "[ . 1 . 2]" 1
223 1 26 TRP HA 1 27 VAL H . . 2.400 2.438 2.343 2.535 0.135 10 0 "[ . 1 . 2]" 1
224 1 27 VAL H 1 27 VAL HB . . 4.020 3.895 3.855 3.944 . 0 0 "[ . 1 . 2]" 1
225 1 27 VAL H 1 27 VAL MG2 . . 2.180 2.307 2.240 2.373 0.193 14 0 "[ . 1 . 2]" 1
226 1 27 VAL H 1 27 VAL HA . . 3.100 2.963 2.946 2.983 . 0 0 "[ . 1 . 2]" 1
227 1 27 VAL H 1 36 LEU QB . . 3.800 2.924 2.690 3.097 . 0 0 "[ . 1 . 2]" 1
228 1 27 VAL H 1 36 LEU HG . . 4.240 4.562 4.157 4.691 0.451 6 0 "[ . 1 . 2]" 1
229 1 27 VAL H 1 54 ALA MB . . 5.600 5.119 4.777 5.578 . 0 0 "[ . 1 . 2]" 1
230 1 16 ILE HG12 1 27 VAL H . . 6.000 5.722 5.359 6.131 0.131 1 0 "[ . 1 . 2]" 1
231 1 27 VAL H 1 36 LEU MD2 . . 3.790 3.891 3.493 4.238 0.448 19 0 "[ . 1 . 2]" 1
232 1 27 VAL H 1 36 LEU MD1 . . 5.300 5.541 5.277 5.667 0.367 18 0 "[ . 1 . 2]" 1
233 1 16 ILE MD 1 27 VAL H . . 3.900 3.977 3.737 4.243 0.343 1 0 "[ . 1 . 2]" 1
234 1 27 VAL H 1 28 ILE MG . . 4.300 4.072 3.920 4.191 . 0 0 "[ . 1 . 2]" 1
235 1 27 VAL H 1 36 LEU H . . 3.900 3.726 3.549 3.877 . 0 0 "[ . 1 . 2]" 1
236 1 27 VAL H 1 35 ASP HA . . 4.790 4.570 4.326 4.853 0.063 5 0 "[ . 1 . 2]" 1
237 1 16 ILE MD 1 28 ILE H . . 4.570 4.476 4.194 4.856 0.286 2 0 "[ . 1 . 2]" 1
238 1 28 ILE H 1 36 LEU MD2 . . 5.800 6.138 5.924 6.290 0.490 16 0 "[ . 1 . 2]" 1
239 1 27 VAL HB 1 28 ILE H . . 2.620 2.683 2.561 2.790 0.170 16 0 "[ . 1 . 2]" 1
240 1 27 VAL HA 1 28 ILE H . . 2.520 2.323 2.285 2.374 . 0 0 "[ . 1 . 2]" 1
241 1 28 ILE H 1 28 ILE HA . . 3.100 2.964 2.955 2.969 . 0 0 "[ . 1 . 2]" 1
242 1 28 ILE H 1 28 ILE HB . . 3.820 3.886 3.833 3.935 0.115 19 0 "[ . 1 . 2]" 1
243 1 28 ILE H 1 83 LEU HG . . 5.400 5.864 5.714 5.955 0.555 13 6 "[* . * 1 +** - 2]" 1
244 1 28 ILE H 1 34 TYR QD . . 5.200 4.641 4.434 4.887 . 0 0 "[ . 1 . 2]" 1
245 1 28 ILE H 1 57 ASP HA . . 4.200 3.716 3.422 3.963 . 0 0 "[ . 1 . 2]" 1
246 1 28 ILE H 1 33 VAL HA . . 5.000 4.818 4.755 4.907 . 0 0 "[ . 1 . 2]" 1
247 1 28 ILE H 1 58 ALA H . . 4.720 4.352 4.025 4.565 . 0 0 "[ . 1 . 2]" 1
248 1 28 ILE H 1 29 LEU MD2 . . 5.970 5.692 5.562 5.919 . 0 0 "[ . 1 . 2]" 1
249 1 13 LEU QD 1 28 ILE H . . 4.200 4.159 3.967 4.506 0.306 12 0 "[ . 1 . 2]" 1
250 1 28 ILE H 1 28 ILE MG . . 2.500 2.812 2.760 2.873 0.373 15 0 "[ . 1 . 2]" 1
251 1 28 ILE H 1 55 GLY QA . . 5.550 2.928 2.604 4.068 . 0 0 "[ . 1 . 2]" 1
252 1 28 ILE H 1 58 ALA HA . . 4.800 4.975 4.505 5.321 0.521 15 1 "[ . 1 + 2]" 1
253 1 28 ILE HA 1 29 LEU H . . 2.300 2.200 2.175 2.237 . 0 0 "[ . 1 . 2]" 1
254 1 13 LEU QD 1 29 LEU H . . 6.000 6.171 6.025 6.376 0.376 12 0 "[ . 1 . 2]" 1
255 1 29 LEU H 1 29 LEU MD1 . . 4.200 4.013 3.938 4.103 . 0 0 "[ . 1 . 2]" 1
256 1 29 LEU H 1 29 LEU MD2 . . 2.000 2.000 1.905 2.241 0.241 11 0 "[ . 1 . 2]" 1
257 1 28 ILE MG 1 29 LEU H . . 4.200 4.065 3.984 4.150 . 0 0 "[ . 1 . 2]" 1
258 1 28 ILE HB 1 29 LEU H . . 3.180 3.254 3.175 3.411 0.231 7 0 "[ . 1 . 2]" 1
259 1 29 LEU H 1 83 LEU HG . . 5.900 6.447 6.294 6.604 0.704 20 13 "[* * - ***** *** * +]" 1
260 1 29 LEU H 1 29 LEU QB . . 3.100 2.524 2.435 2.560 . 0 0 "[ . 1 . 2]" 1
261 1 29 LEU H 1 32 LYS HB2 . . 4.800 4.481 4.010 5.348 0.548 7 3 "[ .*+ 1- . 2]" 1
262 1 29 LEU H 1 32 LYS HB3 . . 5.200 5.014 3.872 5.568 0.368 5 0 "[ . 1 . 2]" 1
263 1 29 LEU H 1 29 LEU HA . . 3.100 2.927 2.908 2.943 . 0 0 "[ . 1 . 2]" 1
264 1 29 LEU H 1 33 VAL HA . . 3.900 4.244 3.962 4.362 0.462 3 0 "[ . 1 . 2]" 1
265 1 29 LEU H 1 57 ASP HA . . 6.000 5.360 5.091 5.559 . 0 0 "[ . 1 . 2]" 1
266 1 29 LEU H 1 29 LEU HG . . 3.820 3.747 3.624 3.938 0.118 11 0 "[ . 1 . 2]" 1
267 1 29 LEU H 1 34 TYR QE . . 2.600 2.449 2.235 2.833 0.233 6 0 "[ . 1 . 2]" 1
268 1 29 LEU H 1 30 HIS HB3 . . 4.930 5.088 4.838 5.296 0.366 17 0 "[ . 1 . 2]" 1
269 1 29 LEU H 1 34 TYR QD . . 3.430 3.425 3.197 3.721 0.291 5 0 "[ . 1 . 2]" 1
270 1 28 ILE MD 1 30 HIS H . . 3.300 2.878 2.549 3.049 . 0 0 "[ . 1 . 2]" 1
271 1 30 HIS H 1 30 HIS HB2 . . 3.840 3.602 3.539 3.663 . 0 0 "[ . 1 . 2]" 1
272 1 30 HIS H 1 30 HIS HD1 . . 5.340 5.470 5.119 5.779 0.439 18 0 "[ . 1 . 2]" 1
273 1 30 HIS H 1 34 TYR QE . . 4.400 4.424 4.191 4.660 0.260 9 0 "[ . 1 . 2]" 1
274 1 30 HIS H 1 30 HIS HD2 . . 5.650 5.393 5.131 5.689 0.039 3 0 "[ . 1 . 2]" 1
275 1 30 HIS H 1 34 TYR QD . . 5.700 5.630 5.395 5.924 0.224 5 0 "[ . 1 . 2]" 1
276 1 30 HIS H 1 30 HIS HB3 . . 3.140 3.257 3.179 3.345 0.205 11 0 "[ . 1 . 2]" 1
277 1 30 HIS H 1 30 HIS HA . . 3.100 2.787 2.769 2.820 . 0 0 "[ . 1 . 2]" 1
278 1 30 HIS H 1 59 THR H . . 5.640 5.892 5.453 6.329 0.689 19 6 "[ *- . * ** . +2]" 1
279 1 30 HIS H 1 83 LEU H . . 5.700 6.086 5.909 6.344 0.644 9 3 "[ . +1 * . -]" 1
280 1 28 ILE HA 1 31 HIS H . . 5.900 5.670 5.259 5.979 0.079 11 0 "[ . 1 . 2]" 1
281 1 29 LEU QB 1 31 HIS H . . 5.330 5.068 4.861 5.257 . 0 0 "[ . 1 . 2]" 1
282 1 31 HIS H 1 32 LYS QB . . 4.700 4.032 3.740 4.349 . 0 0 "[ . 1 . 2]" 1
283 1 30 HIS HE1 1 31 HIS H . . 5.840 5.664 5.079 6.453 0.613 9 1 "[ . +1 . 2]" 1
284 1 30 HIS HD1 1 31 HIS H . . 3.950 3.494 2.716 4.416 0.466 9 0 "[ . 1 . 2]" 1
285 1 31 HIS H 1 34 TYR QE . . 5.300 5.609 5.339 5.865 0.565 8 3 "[ . + 1 - . * 2]" 1
286 1 30 HIS HA 1 31 HIS H . . 3.790 3.583 3.558 3.612 . 0 0 "[ . 1 . 2]" 1
287 1 30 HIS HD2 1 31 HIS H . . 4.770 5.196 4.822 5.355 0.585 13 5 "[ . * 1-*+ . * 2]" 1
288 1 30 HIS HB3 1 31 HIS H . . 2.450 2.122 1.981 2.386 . 0 0 "[ . 1 . 2]" 1
289 1 31 HIS H 1 31 HIS HD2 . . 5.060 5.457 5.332 5.629 0.569 13 2 "[ - 1 + . 2]" 1
290 1 31 HIS H 1 31 HIS HB2 . . 3.070 3.204 3.043 3.346 0.276 5 0 "[ . 1 . 2]" 1
291 1 31 HIS H 1 31 HIS HD1 . . 5.220 4.862 4.645 5.051 . 0 0 "[ . 1 . 2]" 1
292 1 31 HIS H 1 31 HIS HB3 . . 2.660 2.628 2.471 2.817 0.157 16 0 "[ . 1 . 2]" 1
293 1 31 HIS H 1 31 HIS HA . . 3.100 2.967 2.949 2.983 . 0 0 "[ . 1 . 2]" 1
294 1 28 ILE HB 1 32 LYS H . . 3.890 4.070 3.830 4.237 0.347 12 0 "[ . 1 . 2]" 1
295 1 32 LYS H 1 83 LEU HG . . 5.600 6.154 5.980 6.263 0.663 20 15 "[** *** **-* ***** +]" 1
296 1 30 HIS HD1 1 32 LYS H . . 5.520 5.281 4.565 6.012 0.492 18 0 "[ . 1 . 2]" 1
297 1 30 HIS HB3 1 32 LYS H . . 4.130 3.846 3.673 4.014 . 0 0 "[ . 1 . 2]" 1
298 1 31 HIS HB3 1 32 LYS H . . 3.690 3.439 3.258 3.595 . 0 0 "[ . 1 . 2]" 1
299 1 31 HIS H 1 32 LYS H . . 2.030 1.949 1.789 2.177 0.147 17 0 "[ . 1 . 2]" 1
300 1 31 HIS HB2 1 32 LYS H . . 4.340 4.408 4.335 4.479 0.139 19 0 "[ . 1 . 2]" 1
301 1 32 LYS H 1 32 LYS QE . . 5.600 4.665 3.836 5.634 0.034 18 0 "[ . 1 . 2]" 1
302 1 32 LYS H 1 32 LYS HA . . 3.100 2.973 2.961 2.981 . 0 0 "[ . 1 . 2]" 1
303 1 32 LYS H 1 32 LYS QB . . 3.070 2.538 2.411 2.624 . 0 0 "[ . 1 . 2]" 1
304 1 29 LEU QB 1 32 LYS H . . 5.200 4.881 4.751 5.000 . 0 0 "[ . 1 . 2]" 1
305 1 32 LYS H 1 82 GLU HB2 . . 5.600 5.342 5.117 5.565 . 0 0 "[ . 1 . 2]" 1
306 1 32 LYS H 1 33 VAL HB . . 6.000 5.974 5.847 6.081 0.081 9 0 "[ . 1 . 2]" 1
307 1 32 LYS HA 1 33 VAL H . . 2.280 2.175 2.102 2.253 . 0 0 "[ . 1 . 2]" 1
308 1 29 LEU MD2 1 33 VAL H . . 4.600 4.766 4.488 4.946 0.346 3 0 "[ . 1 . 2]" 1
309 1 28 ILE MG 1 33 VAL H . . 4.800 3.943 3.849 4.146 . 0 0 "[ . 1 . 2]" 1
310 1 11 TYR QB 1 33 VAL H . . 5.550 4.635 4.553 4.702 . 0 0 "[ . 1 . 2]" 1
311 1 32 LYS QE 1 33 VAL H . . 5.100 4.946 3.489 5.667 0.567 15 2 "[ . 1 -+ 2]" 1
312 1 32 LYS QD 1 33 VAL H . . 4.600 3.852 3.019 4.946 0.346 19 0 "[ . 1 . 2]" 1
313 1 33 VAL H 1 33 VAL HB . . 3.050 2.922 2.859 2.979 . 0 0 "[ . 1 . 2]" 1
314 1 33 VAL H 1 34 TYR QD . . 4.730 5.215 5.170 5.302 0.572 2 6 "[ + * - * * *2]" 1
315 1 11 TYR QD 1 33 VAL H . . 5.600 5.568 5.366 5.700 0.100 13 0 "[ . 1 . 2]" 1
316 1 33 VAL H 1 34 TYR QE . . 4.950 5.391 5.213 5.470 0.520 5 4 "[* + 1 . *-2]" 1
317 1 33 VAL H 1 80 ILE H . . 5.330 5.084 4.885 5.324 . 0 0 "[ . 1 . 2]" 1
318 1 33 VAL H 1 82 GLU HA . . 2.070 2.161 1.896 2.342 0.272 2 0 "[ . 1 . 2]" 1
319 1 28 ILE HA 1 33 VAL H . . 4.990 4.917 4.811 5.040 0.050 10 0 "[ . 1 . 2]" 1
320 1 33 VAL H 1 83 LEU HA . . 4.210 4.633 4.552 4.689 0.479 15 0 "[ . 1 . 2]" 1
321 1 33 VAL H 1 83 LEU QB . . 4.240 3.573 3.480 3.673 . 0 0 "[ . 1 . 2]" 1
322 1 33 VAL H 1 81 GLY QA . . 4.420 4.308 4.205 4.473 0.053 9 0 "[ . 1 . 2]" 1
323 1 28 ILE HA 1 34 TYR H . . 3.600 3.679 3.539 3.843 0.243 5 0 "[ . 1 . 2]" 1
324 1 26 TRP HD1 1 34 TYR H . . 5.100 4.622 4.348 4.830 . 0 0 "[ . 1 . 2]" 1
325 1 34 TYR H 1 34 TYR QD . . 2.800 2.827 2.507 3.088 0.288 11 0 "[ . 1 . 2]" 1
326 1 26 TRP HB2 1 34 TYR H . . 5.000 5.087 4.897 5.440 0.440 18 0 "[ . 1 . 2]" 1
327 1 27 VAL HA 1 34 TYR H . . 5.000 4.818 4.719 4.912 . 0 0 "[ . 1 . 2]" 1
328 1 27 VAL H 1 34 TYR H . . 3.100 2.809 2.630 2.964 . 0 0 "[ . 1 . 2]" 1
329 1 34 TYR H 1 80 ILE H . . 5.000 4.684 4.524 4.958 . 0 0 "[ . 1 . 2]" 1
330 1 27 VAL MG2 1 34 TYR H . . 3.390 3.355 3.201 3.484 0.094 11 0 "[ . 1 . 2]" 1
331 1 34 TYR H 1 80 ILE MG . . 3.900 3.612 3.438 3.794 . 0 0 "[ . 1 . 2]" 1
332 1 28 ILE MG 1 34 TYR H . . 3.950 3.555 3.414 3.706 . 0 0 "[ . 1 . 2]" 1
333 1 16 ILE MD 1 34 TYR H . . 4.900 4.450 4.273 4.685 . 0 0 "[ . 1 . 2]" 1
334 1 34 TYR H 1 36 LEU MD2 . . 5.400 5.310 5.031 5.683 0.283 19 0 "[ . 1 . 2]" 1
335 1 29 LEU MD2 1 34 TYR H . . 5.700 5.555 5.281 5.895 0.195 11 0 "[ . 1 . 2]" 1
336 1 33 VAL H 1 34 TYR H . . 4.650 4.512 4.476 4.544 . 0 0 "[ . 1 . 2]" 1
337 1 34 TYR H 1 35 ASP H . . 4.600 4.412 4.361 4.453 . 0 0 "[ . 1 . 2]" 1
338 1 33 VAL HA 1 34 TYR H . . 2.320 2.214 2.165 2.261 . 0 0 "[ . 1 . 2]" 1
339 1 33 VAL QG 1 34 TYR H . . 2.340 2.311 2.193 2.486 0.146 4 0 "[ . 1 . 2]" 1
340 1 34 TYR H 1 34 TYR HA . . 2.950 2.956 2.949 2.967 0.017 8 0 "[ . 1 . 2]" 1
341 1 34 TYR H 1 34 TYR QB . . 2.810 2.618 2.546 2.675 . 0 0 "[ . 1 . 2]" 1
342 1 34 TYR H 1 83 LEU QB . . 5.640 5.673 5.439 5.825 0.185 8 0 "[ . 1 . 2]" 1
343 1 34 TYR QB 1 35 ASP H . . 2.760 2.703 2.550 2.864 0.104 15 0 "[ . 1 . 2]" 1
344 1 35 ASP H 1 79 ILE HB . . 5.800 5.932 5.513 6.212 0.412 6 0 "[ . 1 . 2]" 1
345 1 26 TRP HD1 1 35 ASP H . . 4.700 4.072 3.903 4.213 . 0 0 "[ . 1 . 2]" 1
346 1 35 ASP H 1 79 ILE H . . 4.600 4.855 4.655 4.982 0.382 6 0 "[ . 1 . 2]" 1
347 1 34 TYR QD 1 35 ASP H . . 4.200 4.018 3.894 4.252 0.052 18 0 "[ . 1 . 2]" 1
348 1 26 TRP HB3 1 35 ASP H . . 6.100 5.556 5.362 5.704 . 0 0 "[ . 1 . 2]" 1
349 1 34 TYR HA 1 35 ASP H . . 2.300 2.274 2.218 2.341 0.041 12 0 "[ . 1 . 2]" 1
350 1 35 ASP H 1 35 ASP QB . . 2.700 2.300 2.256 2.372 . 0 0 "[ . 1 . 2]" 1
351 1 35 ASP H 1 78 TYR HA . . 4.230 4.209 3.811 4.585 0.355 19 0 "[ . 1 . 2]" 1
352 1 35 ASP H 1 80 ILE HA . . 5.500 5.037 4.608 5.399 . 0 0 "[ . 1 . 2]" 1
353 1 35 ASP H 1 78 TYR QB . . 3.100 2.564 1.960 3.106 0.006 8 0 "[ . 1 . 2]" 1
354 1 35 ASP H 1 80 ILE MG . . 3.210 3.206 2.998 3.441 0.231 20 0 "[ . 1 . 2]" 1
355 1 27 VAL MG2 1 35 ASP H . . 5.100 4.904 4.648 5.203 0.103 5 0 "[ . 1 . 2]" 1
356 1 35 ASP H 1 80 ILE H . . 3.610 3.414 2.964 3.855 0.245 11 0 "[ . 1 . 2]" 1
357 1 27 VAL H 1 35 ASP H . . 5.700 5.243 5.082 5.436 . 0 0 "[ . 1 . 2]" 1
358 1 35 ASP H 1 36 LEU MD2 . . 5.650 5.040 4.768 5.566 . 0 0 "[ . 1 . 2]" 1
359 1 35 ASP H 1 79 ILE MG . . 5.500 5.804 5.571 5.952 0.452 10 0 "[ . 1 . 2]" 1
360 1 35 ASP H 1 79 ILE HA . . 3.580 3.722 3.214 4.051 0.471 10 0 "[ . 1 . 2]" 1
361 1 26 TRP HA 1 36 LEU H . . 2.610 2.068 1.966 2.193 . 0 0 "[ . 1 . 2]" 1
362 1 26 TRP HB3 1 36 LEU H . . 4.110 3.923 3.771 4.057 . 0 0 "[ . 1 . 2]" 1
363 1 26 TRP HD1 1 36 LEU H . . 2.620 2.901 2.537 3.280 0.660 19 3 "[- * . 1 . +2]" 1
364 1 36 LEU H 1 39 PHE QD . . 6.100 6.061 4.774 6.471 0.371 3 0 "[ . 1 . 2]" 1
365 1 26 TRP HB2 1 36 LEU H . . 4.750 4.835 4.728 4.926 0.176 8 0 "[ . 1 . 2]" 1
366 1 26 TRP H 1 36 LEU H . . 5.100 4.662 4.472 4.819 . 0 0 "[ . 1 . 2]" 1
367 1 34 TYR QB 1 36 LEU H . . 5.110 4.499 4.282 4.822 . 0 0 "[ . 1 . 2]" 1
368 1 35 ASP HA 1 36 LEU H . . 2.300 2.175 2.112 2.234 . 0 0 "[ . 1 . 2]" 1
369 1 36 LEU H 1 36 LEU HG . . 4.800 4.671 4.601 4.749 . 0 0 "[ . 1 . 2]" 1
370 1 36 LEU H 1 36 LEU HA . . 3.120 2.920 2.886 2.946 . 0 0 "[ . 1 . 2]" 1
371 1 36 LEU H 1 36 LEU QB . . 2.710 2.261 2.194 2.330 . 0 0 "[ . 1 . 2]" 1
372 1 36 LEU H 1 37 THR HB . . 4.650 4.625 4.361 4.841 0.191 2 0 "[ . 1 . 2]" 1
373 1 25 THR HB 1 36 LEU H . . 4.900 4.818 4.569 5.118 0.218 4 0 "[ . 1 . 2]" 1
374 1 36 LEU H 1 40 LEU QD . . 5.600 5.176 4.873 5.494 . 0 0 "[ . 1 . 2]" 1
375 1 36 LEU H 1 36 LEU MD2 . . 4.300 3.850 3.654 4.095 . 0 0 "[ . 1 . 2]" 1
376 1 36 LEU H 1 36 LEU MD1 . . 4.360 4.408 4.345 4.449 0.089 17 0 "[ . 1 . 2]" 1
377 1 35 ASP HA 1 37 THR H . . 3.820 3.376 3.192 3.652 . 0 0 "[ . 1 . 2]" 1
378 1 26 TRP H 1 37 THR H . . 5.530 5.325 5.151 5.525 . 0 0 "[ . 1 . 2]" 1
379 1 27 VAL H 1 37 THR H . . 5.800 5.864 5.627 6.031 0.231 19 0 "[ . 1 . 2]" 1
380 1 25 THR HG1 1 37 THR H . . 5.710 5.734 5.465 6.008 0.298 9 0 "[ . 1 . 2]" 1
381 1 37 THR H 1 37 THR HA . . 2.900 2.783 2.727 2.835 . 0 0 "[ . 1 . 2]" 1
382 1 37 THR H 1 38 LYS HA . . 5.600 5.467 5.363 5.585 . 0 0 "[ . 1 . 2]" 1
383 1 25 THR HA 1 37 THR H . . 5.200 5.391 5.208 5.530 0.330 19 0 "[ . 1 . 2]" 1
384 1 24 SER HA 1 37 THR H . . 5.800 6.269 5.633 6.612 0.812 9 9 "[** . * +* .*-* *]" 1
385 1 25 THR HB 1 37 THR H . . 3.350 3.570 3.273 3.730 0.380 19 0 "[ . 1 . 2]" 1
386 1 37 THR H 1 37 THR HB . . 2.800 2.660 2.453 2.845 0.045 7 0 "[ . 1 . 2]" 1
387 1 26 TRP HD1 1 37 THR H . . 4.200 4.138 3.626 4.964 0.764 19 1 "[ . 1 . +2]" 1
388 1 26 TRP HA 1 37 THR H . . 3.820 3.740 3.501 3.979 0.159 19 0 "[ . 1 . 2]" 1
389 1 36 LEU QB 1 37 THR H . . 3.290 3.177 3.005 3.318 0.028 17 0 "[ . 1 . 2]" 1
390 1 36 LEU HG 1 37 THR H . . 5.330 5.644 5.473 5.773 0.443 17 0 "[ . 1 . 2]" 1
391 1 37 THR H 1 37 THR HG1 . . 4.430 3.911 2.808 4.429 . 0 0 "[ . 1 . 2]" 1
392 1 37 THR H 1 38 LYS H . . 2.830 2.859 2.714 2.998 0.168 14 0 "[ . 1 . 2]" 1
393 1 37 THR H 1 40 LEU QD . . 5.610 3.910 3.561 4.040 . 0 0 "[ . 1 . 2]" 1
394 1 37 THR H 1 50 LEU QD . . 6.020 5.286 4.965 5.491 . 0 0 "[ . 1 . 2]" 1
395 1 36 LEU MD2 1 37 THR H . . 4.900 4.837 4.767 4.914 0.014 9 0 "[ . 1 . 2]" 1
396 1 36 LEU MD1 1 37 THR H . . 4.280 4.373 4.053 4.496 0.216 17 0 "[ . 1 . 2]" 1
397 1 37 THR HA 1 38 LYS H . . 3.600 3.573 3.518 3.619 0.019 14 0 "[ . 1 . 2]" 1
398 1 38 LYS H 1 38 LYS HA . . 3.100 2.903 2.832 2.964 . 0 0 "[ . 1 . 2]" 1
399 1 36 LEU HA 1 38 LYS H . . 3.910 4.040 3.694 4.321 0.411 14 0 "[ . 1 . 2]" 1
400 1 36 LEU QB 1 38 LYS H . . 5.100 5.093 4.872 5.265 0.165 14 0 "[ . 1 . 2]" 1
401 1 36 LEU QB 1 39 PHE H . . 5.230 4.763 4.641 4.916 . 0 0 "[ . 1 . 2]" 1
402 1 38 LYS HE3 1 39 PHE H . . 4.500 4.858 4.233 5.147 0.647 2 8 "[-+ .* *** *. *]" 1
403 1 39 PHE H 1 78 TYR HB3 . . 5.800 5.246 4.789 5.724 . 0 0 "[ . 1 . 2]" 1
404 1 39 PHE H 1 39 PHE HA . . 2.960 2.825 2.771 2.873 . 0 0 "[ . 1 . 2]" 1
405 1 39 PHE H 1 39 PHE QD . . 4.100 4.024 2.705 4.239 0.139 3 0 "[ . 1 . 2]" 1
406 1 39 PHE H 1 78 TYR QE . . 3.700 3.623 2.938 4.199 0.499 14 0 "[ . 1 . 2]" 1
407 1 39 PHE H 1 39 PHE QB . . 2.870 2.167 2.061 2.260 . 0 0 "[ . 1 . 2]" 1
408 1 39 PHE H 1 40 LEU QD . . 4.980 4.432 4.254 4.578 . 0 0 "[ . 1 . 2]" 1
409 1 39 PHE H 1 50 LEU QD . . 5.230 5.143 4.634 5.324 0.094 14 0 "[ . 1 . 2]" 1
410 1 36 LEU MD2 1 39 PHE H . . 4.100 4.137 3.487 4.372 0.272 7 0 "[ . 1 . 2]" 1
411 1 36 LEU MD1 1 39 PHE H . . 3.800 3.822 3.537 4.091 0.291 7 0 "[ . 1 . 2]" 1
412 1 36 LEU MD1 1 40 LEU H . . 3.100 2.923 2.658 3.325 0.225 4 0 "[ . 1 . 2]" 1
413 1 40 LEU H 1 40 LEU QD . . 3.300 3.023 2.902 3.093 . 0 0 "[ . 1 . 2]" 1
414 1 36 LEU MD2 1 40 LEU H . . 4.600 4.523 4.126 4.729 0.129 12 0 "[ . 1 . 2]" 1
415 1 40 LEU H 1 50 LEU QD . . 3.560 3.558 3.144 3.658 0.098 5 0 "[ . 1 . 2]" 1
416 1 40 LEU H 1 40 LEU HG . . 2.900 2.268 2.109 2.449 . 0 0 "[ . 1 . 2]" 1
417 1 38 LYS HE3 1 40 LEU H . . 5.800 5.816 5.188 6.267 0.467 18 0 "[ . 1 . 2]" 1
418 1 39 PHE QD 1 40 LEU H . . 4.580 4.171 3.705 4.724 0.144 4 0 "[ . 1 . 2]" 1
419 1 40 LEU H 1 78 TYR QE . . 6.000 5.535 5.029 6.269 0.269 19 0 "[ . 1 . 2]" 1
420 1 39 PHE HA 1 40 LEU H . . 3.620 3.548 3.489 3.590 . 0 0 "[ . 1 . 2]" 1
421 1 39 PHE H 1 40 LEU H . . 2.830 2.683 2.539 2.951 0.121 19 0 "[ . 1 . 2]" 1
422 1 39 PHE QB 1 40 LEU H . . 3.210 2.759 2.571 3.004 . 0 0 "[ . 1 . 2]" 1
423 1 40 LEU H 1 40 LEU QB . . 3.250 2.593 2.495 2.696 . 0 0 "[ . 1 . 2]" 1
424 1 40 LEU H 1 40 LEU HA . . 3.100 2.862 2.830 2.888 . 0 0 "[ . 1 . 2]" 1
425 1 25 THR HB 1 40 LEU H . . 5.200 5.491 5.311 5.709 0.509 19 1 "[ . 1 . +2]" 1
426 1 40 LEU H 1 41 GLU H . . 4.580 2.544 2.434 2.742 . 0 0 "[ . 1 . 2]" 1
427 1 38 LYS HE3 1 41 GLU H . . 5.000 4.675 3.879 5.691 0.691 16 4 "[ * . 1 .+*- 2]" 1
428 1 38 LYS H 1 41 GLU H . . 5.040 5.089 4.785 5.327 0.287 12 0 "[ . 1 . 2]" 1
429 1 38 LYS HA 1 41 GLU H . . 3.800 3.585 3.031 4.007 0.207 19 0 "[ . 1 . 2]" 1
430 1 37 THR HA 1 41 GLU H . . 5.370 4.942 4.250 5.636 0.266 12 0 "[ . 1 . 2]" 1
431 1 39 PHE QB 1 41 GLU H . . 5.230 4.777 4.610 5.026 . 0 0 "[ . 1 . 2]" 1
432 1 39 PHE HA 1 41 GLU H . . 4.690 4.364 4.100 4.771 0.081 4 0 "[ . 1 . 2]" 1
433 1 22 SER HB3 1 41 GLU H . . 5.940 6.276 5.691 6.717 0.777 4 6 "[- +. ** * . *2]" 1
434 1 40 LEU QD 1 41 GLU H . . 4.000 2.660 2.386 2.912 . 0 0 "[ . 1 . 2]" 1
435 1 36 LEU MD1 1 41 GLU H . . 5.100 5.062 4.819 5.596 0.496 4 0 "[ . 1 . 2]" 1
436 1 41 GLU H 1 50 LEU QD . . 4.800 4.707 4.554 4.819 0.019 20 0 "[ . 1 . 2]" 1
437 1 41 GLU H 1 41 GLU QG . . 3.360 2.360 1.989 2.594 . 0 0 "[ . 1 . 2]" 1
438 1 41 GLU H 1 42 GLU H . . 2.730 2.530 2.287 2.769 0.039 10 0 "[ . 1 . 2]" 1
439 1 41 GLU H 1 47 GLU HA . . 5.800 6.270 5.967 6.493 0.693 16 8 "[- .* 1** *.+** 2]" 1
440 1 38 LYS HE3 1 42 GLU H . . 4.750 4.806 3.673 5.413 0.663 20 6 "[ . 1** *.* - +]" 1
441 1 39 PHE QD 1 42 GLU H . . 5.120 5.459 4.875 5.689 0.569 19 2 "[ . 1 .- +2]" 1
442 1 39 PHE HA 1 42 GLU H . . 3.950 3.579 3.372 3.820 . 0 0 "[ . 1 . 2]" 1
443 1 41 GLU HA 1 42 GLU H . . 3.710 3.411 3.295 3.514 . 0 0 "[ . 1 . 2]" 1
444 1 40 LEU HA 1 42 GLU H . . 3.900 3.891 3.647 4.156 0.256 14 0 "[ . 1 . 2]" 1
445 1 38 LYS HA 1 42 GLU H . . 4.880 4.826 4.432 5.178 0.298 1 0 "[ . 1 . 2]" 1
446 1 41 GLU QB 1 42 GLU H . . 4.050 3.248 2.905 3.904 . 0 0 "[ . 1 . 2]" 1
447 1 42 GLU H 1 42 GLU QG . . 4.560 3.267 2.150 4.144 . 0 0 "[ . 1 . 2]" 1
448 1 41 GLU QG 1 42 GLU H . . 4.530 4.157 2.943 4.526 . 0 0 "[ . 1 . 2]" 1
449 1 42 GLU H 1 42 GLU HA . . 3.100 2.855 2.810 2.917 . 0 0 "[ . 1 . 2]" 1
450 1 42 GLU H 1 42 GLU QB . . 2.650 2.353 2.201 2.569 . 0 0 "[ . 1 . 2]" 1
451 1 42 GLU H 1 43 TRP QB . . 5.010 5.214 4.986 5.407 0.397 20 0 "[ . 1 . 2]" 1
452 1 39 PHE HA 1 43 TRP H . . 5.000 4.753 3.960 5.405 0.405 7 0 "[ . 1 . 2]" 1
453 1 40 LEU HA 1 43 TRP H . . 4.470 4.404 4.101 4.616 0.146 10 0 "[ . 1 . 2]" 1
454 1 41 GLU HA 1 43 TRP H . . 4.800 5.241 4.696 5.437 0.637 10 13 "[* *** *-+* **. ***]" 1
455 1 40 LEU QB 1 43 TRP H . . 5.900 5.877 5.639 6.095 0.195 10 0 "[ . 1 . 2]" 1
456 1 42 GLU H 1 43 TRP H . . 2.700 2.943 2.705 3.108 0.408 20 0 "[ . 1 . 2]" 1
457 1 43 TRP H 1 67 PHE HZ . . 5.600 3.816 3.238 5.194 . 0 0 "[ . 1 . 2]" 1
458 1 42 GLU HA 1 43 TRP H . . 3.680 3.613 3.566 3.649 . 0 0 "[ . 1 . 2]" 1
459 1 43 TRP H 1 43 TRP QB . . 3.760 2.526 2.458 2.590 . 0 0 "[ . 1 . 2]" 1
460 1 43 TRP H 1 43 TRP HD1 . . 3.660 2.965 2.661 3.760 0.100 9 0 "[ . 1 . 2]" 1
461 1 43 TRP H 1 67 PHE QE . . 5.500 2.643 2.382 3.651 . 0 0 "[ . 1 . 2]" 1
462 1 40 LEU QB 1 45 GLY H . . 5.620 4.464 4.131 4.896 . 0 0 "[ . 1 . 2]" 1
463 1 44 PRO QB 1 45 GLY H . . 4.500 3.055 2.642 3.402 . 0 0 "[ . 1 . 2]" 1
464 1 44 PRO QD 1 45 GLY H . . 4.780 2.753 2.316 3.034 . 0 0 "[ . 1 . 2]" 1
465 1 45 GLY H 1 45 GLY HA2 . . 2.420 2.287 2.272 2.304 . 0 0 "[ . 1 . 2]" 1
466 1 41 GLU HA 1 45 GLY H . . 5.100 3.756 3.173 4.437 . 0 0 "[ . 1 . 2]" 1
467 1 40 LEU HA 1 45 GLY H . . 5.800 3.988 3.564 4.215 . 0 0 "[ . 1 . 2]" 1
468 1 40 LEU QD 1 46 GLY H . . 4.400 4.183 3.361 4.722 0.322 9 0 "[ . 1 . 2]" 1
469 1 46 GLY H 1 50 LEU QD . . 4.700 4.280 3.928 4.604 . 0 0 "[ . 1 . 2]" 1
470 1 46 GLY H 1 49 VAL QG . . 6.000 4.098 3.505 4.370 . 0 0 "[ . 1 . 2]" 1
471 1 40 LEU QB 1 46 GLY H . . 3.870 3.943 3.332 4.390 0.520 2 1 "[ + . 1 . 2]" 1
472 1 45 GLY QA 1 46 GLY H . . 3.100 2.905 2.787 2.971 . 0 0 "[ . 1 . 2]" 1
473 1 45 GLY H 1 46 GLY H . . 2.810 2.777 2.571 2.958 0.148 6 0 "[ . 1 . 2]" 1
474 1 46 GLY H 1 46 GLY HA2 . . 2.910 2.933 2.847 2.978 0.068 16 0 "[ . 1 . 2]" 1
475 1 46 GLY H 1 47 GLU HA . . 4.760 4.600 4.001 4.925 0.165 7 0 "[ . 1 . 2]" 1
476 1 46 GLY H 1 47 GLU H . . 4.200 3.991 3.247 4.412 0.212 9 0 "[ . 1 . 2]" 1
477 1 46 GLY H 1 48 GLU HG2 . . 5.510 5.526 5.119 6.135 0.625 14 2 "[ . -1 +. 2]" 1
478 1 46 GLY HA3 1 49 VAL H . . 4.300 4.424 3.978 4.830 0.530 8 2 "[ .- + 1 . 2]" 1
479 1 46 GLY H 1 49 VAL H . . 5.100 5.651 5.487 5.734 0.634 2 17 "[*+********** **** -]" 1
480 1 49 VAL H 1 51 ARG H . . 4.100 3.942 3.847 4.074 . 0 0 "[ . 1 . 2]" 1
481 1 47 GLU HG2 1 49 VAL H . . 5.950 5.247 4.974 5.557 . 0 0 "[ . 1 . 2]" 1
482 1 47 GLU HA 1 49 VAL H . . 4.420 4.302 4.028 4.481 0.061 15 0 "[ . 1 . 2]" 1
483 1 48 GLU HA 1 49 VAL H . . 3.510 3.563 3.523 3.590 0.080 7 0 "[ . 1 . 2]" 1
484 1 48 GLU HG3 1 49 VAL H . . 2.670 2.236 1.934 2.596 . 0 0 "[ . 1 . 2]" 1
485 1 48 GLU QB 1 49 VAL H . . 4.100 3.438 3.287 3.584 . 0 0 "[ . 1 . 2]" 1
486 1 48 GLU H 1 49 VAL H . . 4.270 3.039 2.877 3.222 . 0 0 "[ . 1 . 2]" 1
487 1 49 VAL H 1 50 LEU QD . . 4.400 4.087 3.983 4.203 . 0 0 "[ . 1 . 2]" 1
488 1 49 VAL H 1 49 VAL QG . . 3.700 2.007 1.890 2.201 . 0 0 "[ . 1 . 2]" 1
489 1 40 LEU QD 1 49 VAL H . . 6.000 5.644 5.372 5.884 . 0 0 "[ . 1 . 2]" 1
490 1 49 VAL H 1 50 LEU HG . . 3.780 3.619 3.451 3.778 . 0 0 "[ . 1 . 2]" 1
491 1 49 VAL H 1 50 LEU QB . . 5.840 5.144 5.025 5.303 . 0 0 "[ . 1 . 2]" 1
492 1 49 VAL H 1 52 GLU QG . . 5.530 5.012 4.793 5.619 0.089 20 0 "[ . 1 . 2]" 1
493 1 49 VAL H 1 49 VAL HB . . 2.600 2.576 2.445 2.664 0.064 8 0 "[ . 1 . 2]" 1
494 1 40 LEU QB 1 50 LEU H . . 5.400 4.920 4.720 5.031 . 0 0 "[ . 1 . 2]" 1
495 1 50 LEU H 1 65 VAL HB . . 4.600 4.183 4.010 4.493 . 0 0 "[ . 1 . 2]" 1
496 1 47 GLU HG2 1 50 LEU H . . 5.880 5.507 4.903 5.699 . 0 0 "[ . 1 . 2]" 1
497 1 47 GLU HA 1 50 LEU H . . 4.250 3.908 3.745 4.135 . 0 0 "[ . 1 . 2]" 1
498 1 48 GLU HG3 1 50 LEU H . . 4.620 4.821 4.626 5.047 0.427 3 0 "[ . 1 . 2]" 1
499 1 50 LEU H 1 50 LEU HG . . 2.100 1.852 1.748 1.932 . 0 0 "[ . 1 . 2]" 1
500 1 50 LEU H 1 50 LEU HA . . 3.100 2.967 2.960 2.975 . 0 0 "[ . 1 . 2]" 1
501 1 50 LEU H 1 51 ARG HA . . 4.800 4.668 4.504 4.738 . 0 0 "[ . 1 . 2]" 1
502 1 49 VAL HA 1 50 LEU H . . 3.600 3.503 3.477 3.512 . 0 0 "[ . 1 . 2]" 1
503 1 50 LEU H 1 51 ARG H . . 2.200 2.018 1.959 2.067 . 0 0 "[ . 1 . 2]" 1
504 1 50 LEU H 1 52 GLU H . . 3.730 3.933 3.657 4.249 0.519 20 1 "[ . 1 . +]" 1
505 1 40 LEU QB 1 51 ARG H . . 5.490 5.399 4.880 5.587 0.097 19 0 "[ . 1 . 2]" 1
506 1 51 ARG H 1 65 VAL HB . . 6.000 5.675 5.295 6.063 0.063 9 0 "[ . 1 . 2]" 1
507 1 47 GLU QG 1 51 ARG H . . 5.500 4.506 3.628 4.755 . 0 0 "[ . 1 . 2]" 1
508 1 48 GLU H 1 51 ARG H . . 4.660 4.782 4.671 4.911 0.251 16 0 "[ . 1 . 2]" 1
509 1 51 ARG H 1 51 ARG HA . . 2.970 2.866 2.786 2.928 . 0 0 "[ . 1 . 2]" 1
510 1 50 LEU HA 1 51 ARG H . . 3.800 3.396 3.344 3.479 . 0 0 "[ . 1 . 2]" 1
511 1 49 VAL HA 1 51 ARG H . . 4.950 4.623 4.455 5.026 0.076 7 0 "[ . 1 . 2]" 1
512 1 51 ARG H 1 54 ALA HA . . 6.100 6.160 5.912 6.515 0.415 13 0 "[ . 1 . 2]" 1
513 1 51 ARG H 1 52 GLU H . . 2.930 2.462 2.269 2.707 . 0 0 "[ . 1 . 2]" 1
514 1 51 ARG H 1 52 GLU QG . . 5.000 3.542 3.281 3.927 . 0 0 "[ . 1 . 2]" 1
515 1 49 VAL HB 1 51 ARG H . . 5.920 5.817 5.649 6.009 0.089 7 0 "[ . 1 . 2]" 1
516 1 49 VAL QG 1 52 GLU H . . 5.600 5.075 4.919 5.305 . 0 0 "[ . 1 . 2]" 1
517 1 50 LEU QD 1 52 GLU H . . 6.000 4.462 4.216 4.750 . 0 0 "[ . 1 . 2]" 1
518 1 51 ARG HA 1 52 GLU H . . 3.600 3.529 3.500 3.564 . 0 0 "[ . 1 . 2]" 1
519 1 50 LEU HA 1 52 GLU H . . 3.900 4.250 4.100 4.359 0.459 15 0 "[ . 1 . 2]" 1
520 1 49 VAL HA 1 52 GLU H . . 4.700 4.846 4.584 5.083 0.383 20 0 "[ . 1 . 2]" 1
521 1 51 ARG HE 1 52 GLU H . . 5.300 4.804 2.749 5.956 0.656 14 3 "[ . -1 +. *2]" 1
522 1 52 GLU H 1 52 GLU QB . . 3.260 2.516 2.447 2.575 . 0 0 "[ . 1 . 2]" 1
523 1 19 HIS HE1 1 53 GLN H . . 6.100 5.935 5.248 6.826 0.726 13 2 "[ - . 1 + . 2]" 1
524 1 52 GLU H 1 53 GLN H . . 2.900 2.742 2.640 2.920 0.020 19 0 "[ . 1 . 2]" 1
525 1 53 GLN H 1 53 GLN QG . . 3.400 2.207 2.011 2.456 . 0 0 "[ . 1 . 2]" 1
526 1 52 GLU QG 1 53 GLN H . . 4.800 2.389 2.079 2.846 . 0 0 "[ . 1 . 2]" 1
527 1 51 ARG QD 1 53 GLN H . . 6.000 5.719 4.629 6.789 0.789 15 3 "[ . - 1 + * 2]" 1
528 1 53 GLN H 1 53 GLN QB . . 3.410 3.073 2.869 3.245 . 0 0 "[ . 1 . 2]" 1
529 1 53 GLN H 1 53 GLN HA . . 3.100 2.956 2.924 2.972 . 0 0 "[ . 1 . 2]" 1
530 1 50 LEU HA 1 53 GLN H . . 3.900 3.582 3.339 3.871 . 0 0 "[ . 1 . 2]" 1
531 1 53 GLN H 1 54 ALA HA . . 4.400 4.452 4.281 4.692 0.292 13 0 "[ . 1 . 2]" 1
532 1 51 ARG HA 1 53 GLN H . . 4.150 3.971 3.594 4.402 0.252 9 0 "[ . 1 . 2]" 1
533 1 53 GLN H 1 61 ASN HD22 . . 5.900 5.805 5.379 6.338 0.438 16 0 "[ . 1 . 2]" 1
534 1 51 ARG HA 1 54 ALA H . . 4.100 3.566 3.330 4.042 . 0 0 "[ . 1 . 2]" 1
535 1 53 GLN HA 1 54 ALA H . . 2.480 2.862 2.836 2.894 0.414 17 0 "[ . 1 . 2]" 1
536 1 50 LEU HA 1 54 ALA H . . 5.200 5.257 4.946 5.568 0.368 17 0 "[ . 1 . 2]" 1
537 1 54 ALA H 1 54 ALA HA . . 3.000 2.878 2.841 2.897 . 0 0 "[ . 1 . 2]" 1
538 1 54 ALA H 1 55 GLY QA . . 5.500 5.199 5.139 5.281 . 0 0 "[ . 1 . 2]" 1
539 1 54 ALA H 1 55 GLY H . . 4.620 4.530 4.450 4.644 0.024 13 0 "[ . 1 . 2]" 1
540 1 55 GLY H 1 55 GLY QA . . 2.300 2.263 2.231 2.287 . 0 0 "[ . 1 . 2]" 1
541 1 55 GLY H 1 56 GLY HA2 . . 5.350 5.134 4.986 5.289 . 0 0 "[ . 1 . 2]" 1
542 1 55 GLY H 1 56 GLY HA3 . . 4.910 4.716 4.555 4.941 0.031 13 0 "[ . 1 . 2]" 1
543 1 55 GLY QA 1 56 GLY H . . 3.400 2.908 2.384 2.954 . 0 0 "[ . 1 . 2]" 1
544 1 56 GLY H 1 56 GLY HA3 . . 2.580 2.314 2.274 2.709 0.129 2 0 "[ . 1 . 2]" 1
545 1 27 VAL HA 1 57 ASP H . . 4.820 4.463 4.211 4.740 . 0 0 "[ . 1 . 2]" 1
546 1 28 ILE H 1 57 ASP H . . 4.270 3.941 3.629 4.205 . 0 0 "[ . 1 . 2]" 1
547 1 53 GLN QE 1 57 ASP H . . 6.100 4.342 3.656 5.143 . 0 0 "[ . 1 . 2]" 1
548 1 55 GLY QA 1 57 ASP H . . 5.860 4.416 3.977 4.822 . 0 0 "[ . 1 . 2]" 1
549 1 57 ASP H 1 58 ALA HA . . 5.200 4.849 4.724 5.121 . 0 0 "[ . 1 . 2]" 1
550 1 56 GLY HA3 1 57 ASP H . . 2.560 2.593 2.446 2.812 0.252 9 0 "[ . 1 . 2]" 1
551 1 57 ASP H 1 57 ASP QB . . 3.630 2.829 2.676 2.942 . 0 0 "[ . 1 . 2]" 1
552 1 57 ASP H 1 57 ASP HA . . 3.100 2.883 2.836 2.941 . 0 0 "[ . 1 . 2]" 1
553 1 57 ASP H 1 58 ALA H . . 4.580 4.344 4.277 4.392 . 0 0 "[ . 1 . 2]" 1
554 1 55 GLY H 1 57 ASP H . . 5.000 4.025 3.612 4.627 . 0 0 "[ . 1 . 2]" 1
555 1 57 ASP H 1 61 ASN HD21 . . 5.200 4.810 3.524 5.858 0.658 13 9 "[ **. - *1 + .****2]" 1
556 1 57 ASP H 1 61 ASN QB . . 5.300 3.512 3.279 3.738 . 0 0 "[ . 1 . 2]" 1
557 1 58 ALA H 1 58 ALA HA . . 3.000 2.932 2.894 2.957 . 0 0 "[ . 1 . 2]" 1
558 1 58 ALA H 1 58 ALA MB . . 3.000 2.650 2.503 2.808 . 0 0 "[ . 1 . 2]" 1
559 1 58 ALA H 1 59 THR HG1 . . 3.670 3.263 2.930 3.539 . 0 0 "[ . 1 . 2]" 1
560 1 58 ALA H 1 60 GLU QB . . 5.450 5.778 5.595 6.072 0.622 1 4 "[+ . * 1 -. * 2]" 1
561 1 58 ALA H 1 61 ASN QB . . 3.900 3.709 3.520 3.941 0.041 2 0 "[ . 1 . 2]" 1
562 1 58 ALA H 1 61 ASN H . . 3.540 3.998 3.952 4.048 0.508 14 1 "[ . 1 +. 2]" 1
563 1 58 ALA H 1 61 ASN HA . . 5.900 6.361 6.183 6.493 0.593 2 8 "[ + *- *** ** 2]" 1
564 1 29 LEU HA 1 58 ALA H . . 3.200 2.158 1.956 2.429 . 0 0 "[ . 1 . 2]" 1
565 1 57 ASP HA 1 58 ALA H . . 2.600 2.357 2.234 2.458 . 0 0 "[ . 1 . 2]" 1
566 1 28 ILE H 1 59 THR H . . 5.570 5.985 5.640 6.227 0.657 7 9 "[ * **+ *1 * *- *2]" 1
567 1 29 LEU HG 1 59 THR H . . 5.440 5.423 4.885 5.884 0.444 19 0 "[ . 1 . 2]" 1
568 1 29 LEU H 1 59 THR H . . 5.100 5.102 4.544 5.548 0.448 19 0 "[ . 1 . 2]" 1
569 1 57 ASP HA 1 59 THR H . . 4.110 3.878 3.620 4.203 0.093 1 0 "[ . 1 . 2]" 1
570 1 58 ALA MB 1 59 THR H . . 3.400 3.068 2.382 3.594 0.194 19 0 "[ . 1 . 2]" 1
571 1 59 THR H 1 59 THR HA . . 3.000 2.802 2.627 2.937 . 0 0 "[ . 1 . 2]" 1
572 1 59 THR H 1 59 THR HG1 . . 2.790 2.352 2.051 2.519 . 0 0 "[ . 1 . 2]" 1
573 1 59 THR H 1 59 THR MG . . 3.650 3.729 2.443 3.840 0.190 19 0 "[ . 1 . 2]" 1
574 1 59 THR H 1 59 THR HB . . 3.500 2.758 2.568 3.722 0.222 7 0 "[ . 1 . 2]" 1
575 1 59 THR H 1 60 GLU QB . . 5.430 4.852 4.308 5.586 0.156 1 0 "[ . 1 . 2]" 1
576 1 59 THR H 1 61 ASN QB . . 4.720 4.115 3.621 4.594 . 0 0 "[ . 1 . 2]" 1
577 1 59 THR HA 1 61 ASN H . . 4.280 4.748 4.599 4.846 0.566 2 8 "[ + .-* * * ** * 2]" 1
578 1 59 THR HG1 1 61 ASN H . . 5.150 5.194 3.870 5.472 0.322 17 0 "[ . 1 . 2]" 1
579 1 60 GLU QB 1 61 ASN H . . 3.980 2.969 2.764 3.226 . 0 0 "[ . 1 . 2]" 1
580 1 60 GLU HA 1 61 ASN H . . 3.420 3.487 3.407 3.536 0.116 2 0 "[ . 1 . 2]" 1
581 1 60 GLU QG 1 61 ASN H . . 5.160 4.076 3.950 4.272 . 0 0 "[ . 1 . 2]" 1
582 1 61 ASN H 1 61 ASN HA . . 3.100 2.861 2.792 2.916 . 0 0 "[ . 1 . 2]" 1
583 1 57 ASP HA 1 61 ASN H . . 5.800 5.340 5.201 5.536 . 0 0 "[ . 1 . 2]" 1
584 1 29 LEU HA 1 61 ASN H . . 5.800 5.760 5.624 5.919 0.119 10 0 "[ . 1 . 2]" 1
585 1 61 ASN H 1 61 ASN QB . . 2.860 2.247 2.132 2.346 . 0 0 "[ . 1 . 2]" 1
586 1 61 ASN H 1 62 PHE HB3 . . 4.910 4.924 4.579 5.303 0.393 20 0 "[ . 1 . 2]" 1
587 1 61 ASN H 1 62 PHE HB2 . . 5.700 6.205 6.024 6.354 0.654 20 9 "[ *. ***1 -* . * *+]" 1
588 1 61 ASN H 1 62 PHE H . . 2.760 2.629 2.498 2.787 0.027 9 0 "[ . 1 . 2]" 1
589 1 61 ASN H 1 64 ASP H . . 4.800 4.912 4.657 5.195 0.395 15 0 "[ . 1 . 2]" 1
590 1 27 VAL HB 1 62 PHE H . . 5.800 5.541 4.896 6.053 0.253 11 0 "[ . 1 . 2]" 1
591 1 36 LEU MD2 1 62 PHE H . . 5.700 5.308 4.758 5.921 0.221 15 0 "[ . 1 . 2]" 1
592 1 62 PHE H 1 65 VAL MG1 . . 5.720 6.058 5.389 6.458 0.738 17 6 "[* -* 1* . + *]" 1
593 1 62 PHE H 1 65 VAL MG2 . . 4.100 4.488 4.220 4.637 0.537 11 3 "[ . 1+ *. - 2]" 1
594 1 58 ALA HA 1 62 PHE H . . 3.000 2.735 2.233 3.160 0.160 11 0 "[ . 1 . 2]" 1
595 1 59 THR HA 1 62 PHE H . . 5.200 5.246 5.000 5.490 0.290 19 0 "[ . 1 . 2]" 1
596 1 60 GLU H 1 62 PHE H . . 4.140 4.005 3.776 4.330 0.190 20 0 "[ . 1 . 2]" 1
597 1 61 ASN HA 1 62 PHE H . . 3.600 3.505 3.421 3.558 . 0 0 "[ . 1 . 2]" 1
598 1 29 LEU HA 1 62 PHE H . . 6.100 6.575 6.193 6.771 0.671 17 12 "[* -*. * 1****.*+ **]" 1
599 1 62 PHE H 1 62 PHE QD . . 2.890 2.492 1.777 3.223 0.333 14 0 "[ . 1 . 2]" 1
600 1 62 PHE H 1 62 PHE QE . . 4.890 4.324 4.111 4.595 . 0 0 "[ . 1 . 2]" 1
601 1 62 PHE H 1 62 PHE QB . . 2.900 2.504 2.316 2.738 . 0 0 "[ . 1 . 2]" 1
602 1 62 PHE H 1 62 PHE HA . . 2.980 2.795 2.750 2.855 . 0 0 "[ . 1 . 2]" 1
603 1 62 PHE H 1 64 ASP H . . 4.460 4.106 3.785 4.367 . 0 0 "[ . 1 . 2]" 1
604 1 60 GLU HA 1 64 ASP H . . 5.000 5.091 4.604 5.505 0.505 12 1 "[ . 1 + . 2]" 1
605 1 64 ASP H 1 65 VAL HA . . 5.400 5.460 5.359 5.539 0.139 15 0 "[ . 1 . 2]" 1
606 1 61 ASN HD22 1 64 ASP H . . 5.700 5.835 5.446 6.176 0.476 9 0 "[ . 1 . 2]" 1
607 1 61 ASN HA 1 64 ASP H . . 3.200 3.095 2.648 3.499 0.299 3 0 "[ . 1 . 2]" 1
608 1 61 ASN HD21 1 64 ASP H . . 5.300 4.926 3.891 5.838 0.538 12 2 "[ - . 1 + . 2]" 1
609 1 61 ASN QB 1 64 ASP H . . 5.540 4.853 4.591 5.108 . 0 0 "[ . 1 . 2]" 1
610 1 62 PHE QD 1 64 ASP H . . 4.620 4.580 3.706 4.896 0.276 10 0 "[ . 1 . 2]" 1
611 1 63 GLU QB 1 64 ASP H . . 3.100 2.687 2.386 2.987 . 0 0 "[ . 1 . 2]" 1
612 1 64 ASP H 1 64 ASP HB2 . . 2.680 2.533 2.429 2.656 . 0 0 "[ . 1 . 2]" 1
613 1 64 ASP H 1 71 ALA MB . . 6.100 5.093 4.748 5.552 . 0 0 "[ . 1 . 2]" 1
614 1 64 ASP H 1 65 VAL H . . 2.810 2.859 2.761 2.981 0.171 17 0 "[ . 1 . 2]" 1
615 1 62 PHE H 1 65 VAL H . . 4.900 5.166 4.984 5.348 0.448 1 0 "[ . 1 . 2]" 1
616 1 61 ASN QB 1 65 VAL H . . 5.430 5.007 4.574 5.452 0.022 1 0 "[ . 1 . 2]" 1
617 1 64 ASP HA 1 65 VAL H . . 3.600 3.547 3.525 3.577 . 0 0 "[ . 1 . 2]" 1
618 1 62 PHE HA 1 65 VAL H . . 4.100 4.282 3.776 4.520 0.420 16 0 "[ . 1 . 2]" 1
619 1 65 VAL H 1 65 VAL HA . . 3.100 2.943 2.910 2.953 . 0 0 "[ . 1 . 2]" 1
620 1 65 VAL H 1 65 VAL MG1 . . 2.430 2.560 2.414 2.706 0.276 1 0 "[ . 1 . 2]" 1
621 1 65 VAL H 1 65 VAL MG2 . . 2.200 1.994 1.867 2.135 . 0 0 "[ . 1 . 2]" 1
622 1 49 VAL QG 1 65 VAL H . . 4.800 4.733 4.505 5.096 0.296 8 0 "[ . 1 . 2]" 1
623 1 50 LEU QD 1 65 VAL H . . 5.700 5.122 4.805 5.334 . 0 0 "[ . 1 . 2]" 1
624 1 65 VAL H 1 65 VAL HB . . 3.900 3.682 3.637 3.713 . 0 0 "[ . 1 . 2]" 1
625 1 61 ASN HA 1 66 GLY H . . 5.700 5.666 5.191 6.005 0.305 1 0 "[ . 1 . 2]" 1
626 1 66 GLY H 1 67 PHE HA . . 5.700 5.403 5.251 5.643 . 0 0 "[ . 1 . 2]" 1
627 1 65 VAL HB 1 66 GLY H . . 4.160 4.096 3.886 4.259 0.099 14 0 "[ . 1 . 2]" 1
628 1 65 VAL H 1 66 GLY H . . 2.100 2.250 2.174 2.372 0.272 7 0 "[ . 1 . 2]" 1
629 1 66 GLY H 1 67 PHE H . . 4.700 3.641 3.214 4.070 . 0 0 "[ . 1 . 2]" 1
630 1 62 PHE HA 1 66 GLY H . . 3.800 3.977 3.512 4.282 0.482 15 0 "[ . 1 . 2]" 1
631 1 64 ASP HA 1 66 GLY H . . 4.800 4.570 4.378 4.808 0.008 5 0 "[ . 1 . 2]" 1
632 1 63 GLU HA 1 66 GLY H . . 3.300 3.558 3.248 3.755 0.455 5 0 "[ . 1 . 2]" 1
633 1 65 VAL HA 1 66 GLY H . . 3.600 3.424 3.329 3.484 . 0 0 "[ . 1 . 2]" 1
634 1 65 VAL MG1 1 66 GLY H . . 3.700 4.129 4.005 4.224 0.524 17 2 "[ . 1 . +- 2]" 1
635 1 65 VAL MG2 1 66 GLY H . . 4.000 2.646 2.425 2.936 . 0 0 "[ . 1 . 2]" 1
636 1 49 VAL QG 1 66 GLY H . . 5.100 4.920 4.735 5.294 0.194 9 0 "[ . 1 . 2]" 1
637 1 50 LEU QD 1 66 GLY H . . 5.400 4.461 4.137 4.680 . 0 0 "[ . 1 . 2]" 1
638 1 63 GLU HA 1 67 PHE H . . 5.460 3.105 2.787 3.526 . 0 0 "[ . 1 . 2]" 1
639 1 65 VAL MG2 1 67 PHE H . . 5.320 5.266 4.921 5.540 0.220 2 0 "[ . 1 . 2]" 1
640 1 67 PHE H 1 67 PHE QE . . 4.600 4.499 4.132 4.832 0.232 11 0 "[ . 1 . 2]" 1
641 1 67 PHE H 1 67 PHE HA . . 3.100 2.954 2.857 2.980 . 0 0 "[ . 1 . 2]" 1
642 1 67 PHE H 1 71 ALA HA . . 5.100 4.174 3.476 4.823 . 0 0 "[ . 1 . 2]" 1
643 1 67 PHE H 1 67 PHE QD . . 2.990 2.834 1.807 3.196 0.206 11 0 "[ . 1 . 2]" 1
644 1 43 TRP HE3 1 67 PHE H . . 6.000 6.176 4.808 6.697 0.697 13 5 "[ ** . - 1 + .* 2]" 1
645 1 67 PHE H 1 67 PHE HB2 . . 3.450 2.766 2.578 3.080 . 0 0 "[ . 1 . 2]" 1
646 1 67 PHE H 1 67 PHE HB3 . . 3.900 3.737 3.654 3.823 . 0 0 "[ . 1 . 2]" 1
647 1 67 PHE H 1 68 SER HG . . 6.100 6.584 6.144 6.808 0.708 5 13 "[ ***+ * *- ***** *]" 1
648 1 67 PHE H 1 68 SER QB . . 6.000 6.210 6.075 6.450 0.450 9 0 "[ . 1 . 2]" 1
649 1 67 PHE H 1 70 ASP H . . 6.100 6.570 6.262 6.821 0.721 13 10 "[ * * *** + **- *]" 1
650 1 67 PHE H 1 71 ALA H . . 4.520 4.532 4.114 5.019 0.499 13 0 "[ . 1 . 2]" 1
651 1 69 THR HA 1 70 ASP H . . 3.670 3.438 3.370 3.486 . 0 0 "[ . 1 . 2]" 1
652 1 68 SER HA 1 70 ASP H . . 4.850 4.417 4.258 4.563 . 0 0 "[ . 1 . 2]" 1
653 1 70 ASP H 1 70 ASP HA . . 2.850 2.807 2.763 2.903 0.053 13 0 "[ . 1 . 2]" 1
654 1 70 ASP H 1 71 ALA HA . . 5.400 5.257 4.986 5.379 . 0 0 "[ . 1 . 2]" 1
655 1 67 PHE HB3 1 71 ALA H . . 5.900 3.927 3.425 4.862 . 0 0 "[ . 1 . 2]" 1
656 1 69 THR MG 1 71 ALA H . . 5.100 5.242 4.905 5.568 0.468 12 0 "[ . 1 . 2]" 1
657 1 69 THR HA 1 71 ALA H . . 4.100 3.753 3.533 4.164 0.064 12 0 "[ . 1 . 2]" 1
658 1 70 ASP QB 1 71 ALA H . . 3.380 2.861 2.596 3.782 0.402 13 0 "[ . 1 . 2]" 1
659 1 71 ALA H 1 71 ALA HA . . 3.100 2.790 2.750 2.821 . 0 0 "[ . 1 . 2]" 1
660 1 70 ASP HA 1 71 ALA H . . 3.600 3.490 3.418 3.550 . 0 0 "[ . 1 . 2]" 1
661 1 67 PHE HA 1 71 ALA H . . 5.800 5.352 4.989 5.948 0.148 13 0 "[ . 1 . 2]" 1
662 1 71 ALA H 1 72 ARG H . . 2.670 2.788 2.688 2.861 0.191 20 0 "[ . 1 . 2]" 1
663 1 70 ASP QB 1 72 ARG H . . 5.390 4.643 4.475 4.787 . 0 0 "[ . 1 . 2]" 1
664 1 62 PHE QD 1 72 ARG H . . 4.510 4.405 3.422 5.011 0.501 5 1 "[ + 1 . 2]" 1
665 1 39 PHE HZ 1 72 ARG H . . 5.620 5.486 5.041 5.987 0.367 9 0 "[ . 1 . 2]" 1
666 1 62 PHE QE 1 72 ARG H . . 3.950 3.356 2.208 4.411 0.461 12 0 "[ . 1 . 2]" 1
667 1 63 GLU QG 1 72 ARG H . . 5.670 4.838 3.507 5.835 0.165 15 0 "[ . 1 . 2]" 1
668 1 63 GLU HA 1 72 ARG H . . 6.100 5.643 4.914 6.152 0.052 9 0 "[ . 1 . 2]" 1
669 1 69 THR HG1 1 72 ARG H . . 6.100 6.231 5.702 6.860 0.760 8 4 "[ *. *+ 1 . - 2]" 1
670 1 72 ARG H 1 73 GLU HA . . 5.200 5.435 5.271 5.578 0.378 8 0 "[ . 1 . 2]" 1
671 1 69 THR HA 1 72 ARG H . . 3.390 3.899 3.487 4.388 0.998 20 8 "[ * * *** * - +]" 1
672 1 71 ALA HA 1 72 ARG H . . 3.550 3.481 3.437 3.534 . 0 0 "[ . 1 . 2]" 1
673 1 70 ASP HA 1 72 ARG H . . 4.200 3.817 3.483 4.060 . 0 0 "[ . 1 . 2]" 1
674 1 72 ARG H 1 72 ARG QB . . 3.000 2.513 2.411 2.827 . 0 0 "[ . 1 . 2]" 1
675 1 72 ARG H 1 72 ARG QG . . 2.910 2.188 1.961 2.372 . 0 0 "[ . 1 . 2]" 1
676 1 69 THR HB 1 72 ARG H . . 5.100 5.228 4.824 5.674 0.574 1 4 "[+ .- 1 ** 2]" 1
677 1 72 ARG H 1 72 ARG QD . . 4.000 3.685 2.863 3.987 . 0 0 "[ . 1 . 2]" 1
678 1 72 ARG H 1 73 GLU QG . . 4.400 4.186 3.905 4.575 0.175 15 0 "[ . 1 . 2]" 1
679 1 72 ARG H 1 75 SER QB . . 5.850 5.616 5.404 5.813 . 0 0 "[ . 1 . 2]" 1
680 1 72 ARG H 1 75 SER H . . 5.000 4.882 4.655 5.050 0.050 12 0 "[ . 1 . 2]" 1
681 1 74 LEU HA 1 75 SER H . . 3.670 3.567 3.507 3.616 . 0 0 "[ . 1 . 2]" 1
682 1 72 ARG HA 1 75 SER H . . 4.500 4.168 3.803 4.587 0.087 11 0 "[ . 1 . 2]" 1
683 1 62 PHE HB2 1 75 SER H . . 5.600 4.941 4.477 5.947 0.347 2 0 "[ . 1 . 2]" 1
684 1 71 ALA HA 1 75 SER H . . 3.400 3.725 3.422 3.857 0.457 2 0 "[ . 1 . 2]" 1
685 1 73 GLU QG 1 75 SER H . . 5.460 5.161 4.549 6.052 0.592 7 2 "[ . + 1 -. 2]" 1
686 1 73 GLU HA 1 75 SER H . . 5.100 4.561 4.000 4.882 . 0 0 "[ . 1 . 2]" 1
687 1 74 LEU H 1 75 SER H . . 2.660 2.739 2.619 2.878 0.218 8 0 "[ . 1 . 2]" 1
688 1 74 LEU QB 1 75 SER H . . 3.380 2.725 2.489 2.982 . 0 0 "[ . 1 . 2]" 1
689 1 75 SER H 1 75 SER HG . . 3.000 2.405 2.156 2.686 . 0 0 "[ . 1 . 2]" 1
690 1 75 SER H 1 75 SER HA . . 3.100 2.824 2.765 2.914 . 0 0 "[ . 1 . 2]" 1
691 1 75 SER H 1 75 SER QB . . 2.500 2.550 2.474 2.665 0.165 19 0 "[ . 1 . 2]" 1
692 1 75 SER H 1 76 LYS HA . . 5.400 5.291 5.039 5.396 . 0 0 "[ . 1 . 2]" 1
693 1 75 SER H 1 76 LYS HB2 . . 4.570 4.859 4.396 5.144 0.574 2 2 "[ + . 1 .- 2]" 1
694 1 75 SER H 1 76 LYS H . . 2.770 2.662 2.373 2.793 0.023 17 0 "[ . 1 . 2]" 1
695 1 75 SER H 1 78 TYR HB2 . . 5.200 5.059 4.573 5.622 0.422 3 0 "[ . 1 . 2]" 1
696 1 75 SER H 1 78 TYR H . . 4.880 4.865 4.613 5.153 0.273 13 0 "[ . 1 . 2]" 1
697 1 62 PHE QE 1 75 SER H . . 5.200 5.090 3.952 5.842 0.642 3 3 "[ + . 1 -* . 2]" 1
698 1 62 PHE QD 1 76 LYS H . . 5.830 5.586 5.088 6.419 0.589 13 1 "[ . 1 + . 2]" 1
699 1 39 PHE HZ 1 76 LYS H . . 6.000 6.395 5.087 6.740 0.740 7 12 "[*** * + 1 *****- *]" 1
700 1 71 ALA HA 1 76 LYS H . . 6.000 6.248 6.077 6.507 0.507 2 1 "[ + . 1 . 2]" 1
701 1 73 GLU HA 1 76 LYS H . . 3.650 3.743 3.233 4.081 0.431 14 0 "[ . 1 . 2]" 1
702 1 75 SER HG 1 76 LYS H . . 3.000 3.113 2.783 3.340 0.340 12 0 "[ . 1 . 2]" 1
703 1 75 SER HA 1 76 LYS H . . 3.630 3.531 3.472 3.558 . 0 0 "[ . 1 . 2]" 1
704 1 76 LYS H 1 76 LYS HA . . 3.100 2.815 2.769 2.863 . 0 0 "[ . 1 . 2]" 1
705 1 76 LYS H 1 76 LYS QB . . 2.610 2.477 2.214 2.642 0.032 2 0 "[ . 1 . 2]" 1
706 1 76 LYS H 1 76 LYS QG . . 3.510 2.279 2.001 3.567 0.057 8 0 "[ . 1 . 2]" 1
707 1 71 ALA MB 1 76 LYS H . . 6.000 6.180 5.918 6.587 0.587 2 1 "[ + . 1 . 2]" 1
708 1 76 LYS H 1 76 LYS QD . . 4.940 3.343 2.286 3.924 . 0 0 "[ . 1 . 2]" 1
709 1 76 LYS H 1 77 LYS QD . . 5.200 5.590 5.116 5.817 0.617 18 8 "[* * . - 1 ****+ 2]" 1
710 1 76 LYS H 1 78 TYR HB2 . . 5.400 5.120 4.812 5.351 . 0 0 "[ . 1 . 2]" 1
711 1 76 LYS H 1 76 LYS QE . . 5.400 4.356 2.772 4.870 . 0 0 "[ . 1 . 2]" 1
712 1 34 TYR QD 1 77 LYS H . . 4.900 5.306 4.999 5.503 0.603 20 8 "[ - .** 1 * .*** +]" 1
713 1 77 LYS H 1 79 ILE H . . 5.800 4.240 4.044 4.435 . 0 0 "[ . 1 . 2]" 1
714 1 77 LYS H 1 78 TYR QE . . 5.500 5.677 4.657 6.125 0.625 1 5 "[+ - . * * * . 2]" 1
715 1 75 SER H 1 77 LYS H . . 4.100 4.224 3.958 4.555 0.455 13 0 "[ . 1 . 2]" 1
716 1 77 LYS H 1 77 LYS QG . . 3.100 2.224 1.972 2.534 . 0 0 "[ . 1 . 2]" 1
717 1 77 LYS H 1 77 LYS QE . . 4.990 4.804 4.652 5.189 0.199 15 0 "[ . 1 . 2]" 1
718 1 77 LYS H 1 77 LYS HA . . 3.100 2.900 2.866 2.939 . 0 0 "[ . 1 . 2]" 1
719 1 75 SER QB 1 77 LYS H . . 5.100 5.094 4.909 5.343 0.243 20 0 "[ . 1 . 2]" 1
720 1 77 LYS H 1 77 LYS QD . . 4.000 3.852 3.586 4.035 0.035 14 0 "[ . 1 . 2]" 1
721 1 76 LYS QD 1 77 LYS H . . 5.300 5.006 4.647 5.230 . 0 0 "[ . 1 . 2]" 1
722 1 77 LYS H 1 77 LYS QB . . 2.950 2.578 2.366 2.803 . 0 0 "[ . 1 . 2]" 1
723 1 77 LYS H 1 78 TYR HA . . 4.900 5.110 4.987 5.238 0.338 20 0 "[ . 1 . 2]" 1
724 1 77 LYS H 1 78 TYR QB . . 5.200 4.400 4.220 4.618 . 0 0 "[ . 1 . 2]" 1
725 1 76 LYS QE 1 77 LYS H . . 5.300 5.368 4.753 5.980 0.680 11 2 "[ - 1+ . 2]" 1
726 1 34 TYR QB 1 78 TYR H . . 4.600 4.775 4.384 4.983 0.383 18 0 "[ . 1 . 2]" 1
727 1 35 ASP HB3 1 78 TYR H . . 5.800 5.968 5.517 6.389 0.589 18 2 "[ . 1 . +-2]" 1
728 1 35 ASP H 1 78 TYR H . . 5.250 5.364 4.902 5.760 0.510 18 1 "[ . 1 . + 2]" 1
729 1 74 LEU HA 1 78 TYR H . . 4.950 4.653 4.197 5.343 0.393 13 0 "[ . 1 . 2]" 1
730 1 78 TYR H 1 79 ILE HA . . 5.400 4.920 4.783 5.054 . 0 0 "[ . 1 . 2]" 1
731 1 76 LYS HA 1 78 TYR H . . 4.180 4.179 3.857 4.326 0.146 16 0 "[ . 1 . 2]" 1
732 1 77 LYS QD 1 78 TYR H . . 4.900 4.834 3.073 5.376 0.476 14 0 "[ . 1 . 2]" 1
733 1 77 LYS H 1 78 TYR H . . 2.330 2.429 2.295 2.571 0.241 20 0 "[ . 1 . 2]" 1
734 1 76 LYS H 1 78 TYR H . . 4.200 4.005 3.830 4.158 . 0 0 "[ . 1 . 2]" 1
735 1 78 TYR H 1 78 TYR QD . . 3.100 2.836 2.269 3.439 0.339 1 0 "[ . 1 . 2]" 1
736 1 78 TYR H 1 78 TYR HA . . 3.100 2.917 2.896 2.930 . 0 0 "[ . 1 . 2]" 1
737 1 78 TYR H 1 79 ILE HB . . 5.500 4.849 4.672 5.037 . 0 0 "[ . 1 . 2]" 1
738 1 74 LEU HB3 1 78 TYR H . . 6.100 5.444 4.960 6.148 0.048 1 0 "[ . 1 . 2]" 1
739 1 78 TYR H 1 79 ILE H . . 4.200 2.772 2.630 2.934 . 0 0 "[ . 1 . 2]" 1
740 1 34 TYR QD 1 78 TYR H . . 3.900 3.959 3.486 4.326 0.426 11 0 "[ . 1 . 2]" 1
741 1 78 TYR H 1 78 TYR QE . . 4.920 4.847 4.464 5.204 0.284 7 0 "[ . 1 . 2]" 1
742 1 34 TYR HA 1 79 ILE H . . 5.000 4.661 4.419 4.931 . 0 0 "[ . 1 . 2]" 1
743 1 35 ASP QB 1 79 ILE H . . 5.000 5.389 5.098 5.645 0.645 15 6 "[ * .* -1 * + * 2]" 1
744 1 77 LYS HA 1 79 ILE H . . 4.600 3.487 3.220 3.772 . 0 0 "[ . 1 . 2]" 1
745 1 78 TYR QB 1 79 ILE H . . 4.310 3.689 3.548 3.845 . 0 0 "[ . 1 . 2]" 1
746 1 78 TYR HA 1 79 ILE H . . 3.000 3.148 2.993 3.271 0.271 4 0 "[ . 1 . 2]" 1
747 1 79 ILE H 1 80 ILE HA . . 5.100 5.353 5.208 5.504 0.404 19 0 "[ . 1 . 2]" 1
748 1 79 ILE H 1 79 ILE HB . . 3.200 2.657 2.590 2.732 . 0 0 "[ . 1 . 2]" 1
749 1 34 TYR QB 1 79 ILE H . . 5.300 4.764 4.527 4.980 . 0 0 "[ . 1 . 2]" 1
750 1 79 ILE H 1 79 ILE QG . . 4.500 4.039 4.019 4.066 . 0 0 "[ . 1 . 2]" 1
751 1 79 ILE H 1 79 ILE MG . . 2.100 2.011 1.906 2.180 0.080 20 0 "[ . 1 . 2]" 1
752 1 79 ILE H 1 79 ILE MD . . 4.390 4.500 4.447 4.559 0.169 12 0 "[ . 1 . 2]" 1
753 1 79 ILE H 1 79 ILE HA . . 3.100 2.828 2.810 2.841 . 0 0 "[ . 1 . 2]" 1
754 1 79 ILE H 1 80 ILE H . . 4.400 4.403 4.233 4.612 0.212 5 0 "[ . 1 . 2]" 1
755 1 34 TYR QD 1 80 ILE H . . 5.000 4.208 3.938 4.465 . 0 0 "[ . 1 . 2]" 1
756 1 26 TRP HD1 1 80 ILE H . . 6.000 5.435 4.983 5.876 . 0 0 "[ . 1 . 2]" 1
757 1 11 TYR QD 1 80 ILE H . . 6.000 6.462 6.169 6.684 0.684 1 10 "[+ * .*** 1 *-. ** *]" 1
758 1 79 ILE HB 1 80 ILE H . . 4.320 4.362 4.208 4.501 0.181 10 0 "[ . 1 . 2]" 1
759 1 34 TYR QB 1 80 ILE H . . 4.700 4.381 4.113 4.615 . 0 0 "[ . 1 . 2]" 1
760 1 79 ILE HA 1 80 ILE H . . 2.200 2.161 2.092 2.218 0.018 5 0 "[ . 1 . 2]" 1
761 1 33 VAL HA 1 80 ILE H . . 6.000 5.546 5.322 5.791 . 0 0 "[ . 1 . 2]" 1
762 1 33 VAL HB 1 80 ILE H . . 6.000 6.229 5.945 6.481 0.481 7 0 "[ . 1 . 2]" 1
763 1 33 VAL QG 1 80 ILE H . . 4.400 3.409 3.172 3.609 . 0 0 "[ . 1 . 2]" 1
764 1 34 TYR HA 1 80 ILE H . . 2.830 2.345 2.076 2.647 . 0 0 "[ . 1 . 2]" 1
765 1 79 ILE MG 1 80 ILE H . . 4.280 4.224 3.956 4.359 0.079 7 0 "[ . 1 . 2]" 1
766 1 80 ILE H 1 80 ILE HB . . 3.100 2.794 2.662 3.020 . 0 0 "[ . 1 . 2]" 1
767 1 80 ILE H 1 80 ILE MG . . 2.000 2.044 1.888 2.138 0.138 20 0 "[ . 1 . 2]" 1
768 1 80 ILE H 1 80 ILE HA . . 3.100 2.937 2.904 2.972 . 0 0 "[ . 1 . 2]" 1
769 1 78 TYR HA 1 80 ILE H . . 5.800 5.393 4.950 5.965 0.165 19 0 "[ . 1 . 2]" 1
770 1 80 ILE H 1 80 ILE QG . . 4.740 4.082 4.037 4.139 . 0 0 "[ . 1 . 2]" 1
771 1 80 ILE H 1 81 GLY QA . . 4.600 4.294 4.044 4.398 . 0 0 "[ . 1 . 2]" 1
772 1 11 TYR QE 1 81 GLY H . . 4.940 5.248 4.850 5.486 0.546 1 1 "[+ . 1 . 2]" 1
773 1 32 LYS HB3 1 81 GLY H . . 6.000 5.267 4.516 6.647 0.647 9 4 "[ . * +1* - . 2]" 1
774 1 32 LYS QD 1 81 GLY H . . 5.400 5.084 3.902 6.076 0.676 20 4 "[ * . - . * +]" 1
775 1 32 LYS HA 1 81 GLY H . . 6.000 5.464 5.269 5.829 . 0 0 "[ . 1 . 2]" 1
776 1 33 VAL HA 1 81 GLY H . . 5.700 5.360 5.221 5.473 . 0 0 "[ . 1 . 2]" 1
777 1 33 VAL H 1 81 GLY H . . 4.200 3.847 3.695 4.103 . 0 0 "[ . 1 . 2]" 1
778 1 9 LYS H 1 81 GLY H . . 5.000 4.569 4.401 5.063 0.063 17 0 "[ . 1 . 2]" 1
779 1 35 ASP H 1 81 GLY H . . 5.400 5.448 5.091 5.698 0.298 17 0 "[ . 1 . 2]" 1
780 1 33 VAL HB 1 81 GLY H . . 4.890 5.349 5.187 5.431 0.541 9 6 "[ . * +**-* . 2]" 1
781 1 33 VAL QG 1 81 GLY H . . 4.100 2.509 2.358 2.586 . 0 0 "[ . 1 . 2]" 1
782 1 8 VAL MG2 1 81 GLY H . . 6.000 4.349 4.113 4.523 . 0 0 "[ . 1 . 2]" 1
783 1 34 TYR HA 1 81 GLY H . . 4.100 4.008 3.797 4.241 0.141 2 0 "[ . 1 . 2]" 1
784 1 79 ILE HB 1 81 GLY H . . 5.150 5.229 5.023 5.498 0.348 7 0 "[ . 1 . 2]" 1
785 1 34 TYR QB 1 81 GLY H . . 6.000 5.880 5.697 6.085 0.085 2 0 "[ . 1 . 2]" 1
786 1 79 ILE H 1 81 GLY H . . 6.000 6.026 5.793 6.265 0.265 6 0 "[ . 1 . 2]" 1
787 1 79 ILE HA 1 81 GLY H . . 4.480 3.675 3.488 3.840 . 0 0 "[ . 1 . 2]" 1
788 1 79 ILE MG 1 81 GLY H . . 4.900 4.729 4.448 5.132 0.232 6 0 "[ . 1 . 2]" 1
789 1 80 ILE HB 1 81 GLY H . . 4.200 4.085 4.035 4.150 . 0 0 "[ . 1 . 2]" 1
790 1 81 GLY H 1 82 GLU HB3 . . 5.800 5.926 5.741 6.072 0.272 19 0 "[ . 1 . 2]" 1
791 1 9 LYS HB2 1 81 GLY H . . 5.500 4.706 4.138 5.938 0.438 12 0 "[ . 1 . 2]" 1
792 1 80 ILE H 1 81 GLY H . . 2.000 2.184 1.935 2.295 0.295 2 0 "[ . 1 . 2]" 1
793 1 81 GLY H 1 83 LEU H . . 6.100 6.126 5.990 6.241 0.141 13 0 "[ . 1 . 2]" 1
794 1 80 ILE HA 1 81 GLY H . . 4.630 3.484 3.427 3.525 . 0 0 "[ . 1 . 2]" 1
795 1 80 ILE QG 1 81 GLY H . . 4.450 4.064 3.945 4.225 . 0 0 "[ . 1 . 2]" 1
796 1 81 GLY H 1 82 GLU HA . . 4.800 4.634 4.547 4.703 . 0 0 "[ . 1 . 2]" 1
797 1 32 LYS HA 1 82 GLU H . . 4.980 4.746 4.567 5.064 0.084 9 0 "[ . 1 . 2]" 1
798 1 81 GLY QA 1 82 GLU H . . 2.500 2.214 2.182 2.257 . 0 0 "[ . 1 . 2]" 1
799 1 82 GLU H 1 82 GLU HA . . 3.100 2.963 2.950 2.974 . 0 0 "[ . 1 . 2]" 1
800 1 82 GLU H 1 82 GLU QG . . 2.580 2.305 2.094 2.429 . 0 0 "[ . 1 . 2]" 1
801 1 10 TYR HB3 1 82 GLU H . . 5.950 5.873 5.598 6.139 0.189 19 0 "[ . 1 . 2]" 1
802 1 9 LYS QB 1 82 GLU H . . 4.840 4.093 3.839 4.411 . 0 0 "[ . 1 . 2]" 1
803 1 82 GLU H 1 82 GLU QB . . 3.600 2.957 2.889 3.066 . 0 0 "[ . 1 . 2]" 1
804 1 11 TYR QE 1 82 GLU H . . 5.530 5.720 5.388 5.825 0.295 7 0 "[ . 1 . 2]" 1
805 1 11 TYR H 1 82 GLU H . . 3.450 3.758 3.514 3.919 0.469 18 0 "[ . 1 . 2]" 1
806 1 11 TYR QD 1 82 GLU H . . 3.750 4.153 3.977 4.222 0.472 19 0 "[ . 1 . 2]" 1
807 1 10 TYR QD 1 82 GLU H . . 5.550 4.688 4.502 5.008 . 0 0 "[ . 1 . 2]" 1
808 1 11 TYR QD 1 83 LEU H . . 5.860 5.953 5.786 6.108 0.248 19 0 "[ . 1 . 2]" 1
809 1 28 ILE MG 1 83 LEU H . . 4.150 4.049 3.834 4.295 0.145 2 0 "[ . 1 . 2]" 1
810 1 29 LEU MD2 1 83 LEU H . . 4.800 5.203 4.973 5.327 0.527 13 1 "[ . 1 + . 2]" 1
811 1 16 ILE MD 1 83 LEU H . . 6.000 5.634 5.499 6.076 0.076 2 0 "[ . 1 . 2]" 1
812 1 13 LEU QD 1 83 LEU H . . 5.900 6.152 5.971 6.244 0.344 11 0 "[ . 1 . 2]" 1
813 1 10 TYR HA 1 83 LEU H . . 5.570 5.539 5.359 5.796 0.226 5 0 "[ . 1 . 2]" 1
814 1 83 LEU H 1 83 LEU HA . . 3.000 2.880 2.837 2.905 . 0 0 "[ . 1 . 2]" 1
815 1 31 HIS HA 1 83 LEU H . . 4.520 4.042 3.849 4.325 . 0 0 "[ . 1 . 2]" 1
816 1 32 LYS HA 1 83 LEU H . . 2.120 2.253 1.859 2.463 0.343 6 0 "[ . 1 . 2]" 1
817 1 81 GLY QA 1 83 LEU H . . 5.400 5.445 5.321 5.524 0.124 9 0 "[ . 1 . 2]" 1
818 1 32 LYS QB 1 83 LEU H . . 4.480 4.321 3.946 4.500 0.020 9 0 "[ . 1 . 2]" 1
819 1 33 VAL H 1 83 LEU H . . 2.400 2.660 2.551 2.745 0.345 19 0 "[ . 1 . 2]" 1
820 1 83 LEU H 1 83 LEU HG . . 4.680 4.584 4.531 4.671 . 0 0 "[ . 1 . 2]" 1
821 1 82 GLU QB 1 83 LEU H . . 3.900 2.960 2.867 3.109 . 0 0 "[ . 1 . 2]" 1
822 1 28 ILE HB 1 83 LEU H . . 4.400 4.813 4.575 4.928 0.528 13 2 "[ . - + . 2]" 1
823 1 83 LEU H 1 83 LEU QB . . 2.520 2.197 2.147 2.273 . 0 0 "[ . 1 . 2]" 1
824 1 10 TYR QD 1 84 HIS H . . 5.540 5.542 5.126 5.918 0.378 5 0 "[ . 1 . 2]" 1
825 1 84 HIS H 1 84 HIS HD2 . . 3.800 3.424 3.108 4.161 0.361 4 0 "[ . 1 . 2]" 1
826 1 10 TYR HA 1 84 HIS H . . 5.100 5.052 4.707 5.397 0.297 5 0 "[ . 1 . 2]" 1
827 1 11 TYR H 1 84 HIS H . . 4.140 4.126 3.914 4.590 0.450 5 0 "[ . 1 . 2]" 1
828 1 11 TYR HA 1 84 HIS H . . 5.100 5.210 5.074 5.374 0.274 7 0 "[ . 1 . 2]" 1
829 1 11 TYR QB 1 84 HIS H . . 4.200 4.075 3.846 4.193 . 0 0 "[ . 1 . 2]" 1
830 1 12 THR HB 1 84 HIS H . . 5.500 5.614 5.204 5.871 0.371 4 0 "[ . 1 . 2]" 1
831 1 13 LEU H 1 84 HIS H . . 4.280 4.250 3.999 4.477 0.197 4 0 "[ . 1 . 2]" 1
832 1 83 LEU HG 1 84 HIS H . . 4.690 4.389 4.311 4.482 . 0 0 "[ . 1 . 2]" 1
833 1 84 HIS H 1 84 HIS QB . . 3.040 2.392 2.269 2.502 . 0 0 "[ . 1 . 2]" 1
834 1 84 HIS H 1 84 HIS HA . . 3.100 2.828 2.792 2.863 . 0 0 "[ . 1 . 2]" 1
835 1 12 THR HA 1 84 HIS H . . 2.950 3.198 2.852 3.415 0.465 4 0 "[ . 1 . 2]" 1
836 1 84 HIS H 1 84 HIS HD1 . . 4.850 4.313 3.461 4.886 0.036 16 0 "[ . 1 . 2]" 1
837 1 84 HIS H 1 85 PRO HA . . 5.870 5.817 5.677 5.908 0.038 5 0 "[ . 1 . 2]" 1
838 1 12 THR MG 1 84 HIS H . . 4.480 4.476 4.046 4.705 0.225 7 0 "[ . 1 . 2]" 1
839 1 84 HIS H 1 87 ASP HB2 . . 3.540 3.370 3.220 3.536 . 0 0 "[ . 1 . 2]" 1
840 1 84 HIS QB 1 86 ASP H . . 3.860 2.590 2.373 2.840 . 0 0 "[ . 1 . 2]" 1
841 1 85 PRO QB 1 86 ASP H . . 4.000 3.111 2.713 3.456 . 0 0 "[ . 1 . 2]" 1
842 1 85 PRO QG 1 86 ASP H . . 3.880 3.304 2.597 4.082 0.202 20 0 "[ . 1 . 2]" 1
843 1 85 PRO QD 1 86 ASP H . . 3.390 2.948 2.727 3.117 . 0 0 "[ . 1 . 2]" 1
844 1 86 ASP H 1 86 ASP HA . . 3.100 2.869 2.845 2.906 . 0 0 "[ . 1 . 2]" 1
845 1 86 ASP H 1 86 ASP QB . . 2.710 2.280 2.204 2.496 . 0 0 "[ . 1 . 2]" 1
846 1 86 ASP H 1 87 ASP HB2 . . 4.150 4.613 4.552 4.696 0.546 4 3 "[ +.- 1 *. 2]" 1
847 1 86 ASP H 1 87 ASP HA . . 5.000 5.184 5.101 5.238 0.238 4 0 "[ . 1 . 2]" 1
848 1 86 ASP H 1 88 ARG HE . . 5.250 5.395 4.957 5.868 0.618 7 3 "[ -*. + 1 . 2]" 1
849 1 86 ASP H 1 89 SER HB3 . . 6.100 5.923 5.275 6.658 0.558 11 2 "[ . 1+- . 2]" 1
850 1 85 PRO HA 1 87 ASP H . . 4.270 4.632 4.379 4.768 0.498 18 0 "[ . 1 . 2]" 1
851 1 12 THR MG 1 87 ASP H . . 5.810 5.189 4.834 5.528 . 0 0 "[ . 1 . 2]" 1
852 1 12 THR HB 1 87 ASP H . . 5.920 5.951 5.627 6.169 0.249 8 0 "[ . 1 . 2]" 1
853 1 87 ASP H 1 88 ARG HA . . 5.000 5.204 5.128 5.267 0.267 7 0 "[ . 1 . 2]" 1
854 1 31 HIS HD2 1 87 ASP H . . 6.000 6.287 5.967 6.665 0.665 6 5 "[ *.+ * * . - 2]" 1
855 1 83 LEU MD1 1 87 ASP H . . 3.510 3.466 3.373 3.618 0.108 7 0 "[ . 1 . 2]" 1
856 1 83 LEU MD2 1 87 ASP H . . 5.200 5.623 5.342 5.787 0.587 1 5 "[+ . * 1- *. *]" 1
857 1 84 HIS HA 1 87 ASP H . . 4.440 4.525 4.348 4.731 0.291 13 0 "[ . 1 . 2]" 1
858 1 12 THR HA 1 87 ASP H . . 5.500 4.952 4.790 5.120 . 0 0 "[ . 1 . 2]" 1
859 1 84 HIS QB 1 87 ASP H . . 2.870 2.393 2.163 2.601 . 0 0 "[ . 1 . 2]" 1
860 1 85 PRO QD 1 87 ASP H . . 4.830 4.603 4.423 4.792 . 0 0 "[ . 1 . 2]" 1
861 1 86 ASP H 1 87 ASP H . . 2.240 2.537 2.426 2.596 0.356 15 0 "[ . 1 . 2]" 1
862 1 86 ASP HA 1 87 ASP H . . 3.440 3.557 3.530 3.578 0.138 8 0 "[ . 1 . 2]" 1
863 1 87 ASP H 1 87 ASP HB2 . . 2.360 2.337 2.269 2.449 0.089 20 0 "[ . 1 . 2]" 1
864 1 86 ASP QB 1 87 ASP H . . 3.600 2.494 2.208 2.878 . 0 0 "[ . 1 . 2]" 1
865 1 87 ASP H 1 87 ASP HA . . 3.100 2.871 2.842 2.903 . 0 0 "[ . 1 . 2]" 1
866 1 87 ASP H 1 87 ASP HB3 . . 3.540 3.592 3.554 3.646 0.106 20 0 "[ . 1 . 2]" 1
867 1 87 ASP H 1 88 ARG QG . . 4.000 3.976 3.755 4.290 0.290 4 0 "[ . 1 . 2]" 1
868 1 87 ASP H 1 89 SER HB3 . . 5.720 5.779 5.110 6.419 0.699 11 8 "[ . -*+* *** *]" 1
869 1 87 ASP H 1 90 LYS QB . . 4.810 4.332 4.017 4.628 . 0 0 "[ . 1 . 2]" 1
870 1 87 ASP H 1 88 ARG HB3 . . 4.800 4.965 4.751 5.196 0.396 5 0 "[ . 1 . 2]" 1
871 1 87 ASP HB3 1 88 ARG H . . 3.480 3.656 3.525 3.846 0.366 14 0 "[ . 1 . 2]" 1
872 1 85 PRO HA 1 88 ARG H . . 4.010 4.007 3.713 4.192 0.182 9 0 "[ . 1 . 2]" 1
873 1 83 LEU MD1 1 88 ARG H . . 2.650 2.424 2.320 2.577 . 0 0 "[ . 1 . 2]" 1
874 1 83 LEU MD2 1 88 ARG H . . 4.800 5.042 4.947 5.125 0.325 7 0 "[ . 1 . 2]" 1
875 1 84 HIS HA 1 88 ARG H . . 5.370 5.403 5.273 5.579 0.209 11 0 "[ . 1 . 2]" 1
876 1 12 THR HA 1 88 ARG H . . 6.000 5.727 5.506 5.931 . 0 0 "[ . 1 . 2]" 1
877 1 86 ASP HA 1 88 ARG H . . 4.550 4.648 4.484 4.839 0.289 17 0 "[ . 1 . 2]" 1
878 1 87 ASP H 1 88 ARG H . . 2.290 2.568 2.489 2.637 0.347 7 0 "[ . 1 . 2]" 1
879 1 87 ASP HA 1 88 ARG H . . 3.590 3.535 3.491 3.561 . 0 0 "[ . 1 . 2]" 1
880 1 88 ARG H 1 88 ARG HA . . 2.940 2.857 2.830 2.879 . 0 0 "[ . 1 . 2]" 1
881 1 31 HIS HA 1 88 ARG H . . 5.400 5.621 5.490 5.814 0.414 6 0 "[ . 1 . 2]" 1
882 1 88 ARG H 1 88 ARG QD . . 4.490 3.911 3.653 4.171 . 0 0 "[ . 1 . 2]" 1
883 1 87 ASP HB2 1 88 ARG H . . 3.100 2.935 2.831 3.109 0.009 14 0 "[ . 1 . 2]" 1
884 1 86 ASP QB 1 88 ARG H . . 5.400 4.722 4.425 4.995 . 0 0 "[ . 1 . 2]" 1
885 1 88 ARG H 1 88 ARG QG . . 2.850 2.200 1.994 2.440 . 0 0 "[ . 1 . 2]" 1
886 1 88 ARG H 1 89 SER QB . . 5.250 4.543 4.235 4.915 . 0 0 "[ . 1 . 2]" 1
887 1 88 ARG H 1 89 SER H . . 2.800 2.567 2.480 2.643 . 0 0 "[ . 1 . 2]" 1
888 1 88 ARG H 1 89 SER HA . . 5.530 5.265 5.197 5.339 . 0 0 "[ . 1 . 2]" 1
889 1 88 ARG H 1 90 LYS QB . . 5.110 4.640 4.351 4.960 . 0 0 "[ . 1 . 2]" 1
890 1 88 ARG H 1 88 ARG QB . . 3.000 2.562 2.452 2.674 . 0 0 "[ . 1 . 2]" 1
891 1 83 LEU HG 1 88 ARG H . . 5.200 4.848 4.627 5.117 . 0 0 "[ . 1 . 2]" 1
892 1 88 ARG HA 1 89 SER H . . 3.770 3.466 3.401 3.512 . 0 0 "[ . 1 . 2]" 1
893 1 86 ASP HA 1 89 SER H . . 4.060 4.049 3.631 4.234 0.174 15 0 "[ . 1 . 2]" 1
894 1 87 ASP HA 1 89 SER H . . 4.390 4.029 3.846 4.171 . 0 0 "[ . 1 . 2]" 1
895 1 89 SER H 1 89 SER HA . . 3.100 2.936 2.916 2.956 . 0 0 "[ . 1 . 2]" 1
896 1 89 SER H 1 89 SER QB . . 2.820 2.487 2.286 2.786 . 0 0 "[ . 1 . 2]" 1
897 1 89 SER H 1 89 SER HG . . 4.330 3.746 2.079 4.360 0.030 2 0 "[ . 1 . 2]" 1
898 1 89 SER H 1 90 LYS QB . . 4.580 3.902 3.600 4.059 . 0 0 "[ . 1 . 2]" 1
899 1 88 ARG QB 1 89 SER H . . 3.900 3.674 3.582 3.788 . 0 0 "[ . 1 . 2]" 1
900 1 86 ASP HA 1 90 LYS H . . 4.350 4.396 4.182 4.634 0.284 18 0 "[ . 1 . 2]" 1
901 1 87 ASP HB2 1 90 LYS H . . 5.270 5.468 5.278 5.722 0.452 14 0 "[ . 1 . 2]" 1
902 1 88 ARG HD2 1 90 LYS H . . 5.250 4.959 4.694 5.232 . 0 0 "[ . 1 . 2]" 1
903 1 86 ASP HB3 1 90 LYS H . . 5.850 5.742 5.187 5.948 0.098 16 0 "[ . 1 . 2]" 1
904 1 87 ASP HA 1 90 LYS H . . 3.320 3.185 2.997 3.340 0.020 15 0 "[ . 1 . 2]" 1
905 1 87 ASP HB3 1 90 LYS H . . 4.950 5.173 4.939 5.436 0.486 14 0 "[ . 1 . 2]" 1
906 1 88 ARG HA 1 90 LYS H . . 4.890 4.416 4.158 4.810 . 0 0 "[ . 1 . 2]" 1
907 1 88 ARG H 1 90 LYS H . . 4.000 3.917 3.751 4.130 0.130 8 0 "[ . 1 . 2]" 1
908 1 89 SER HG 1 90 LYS H . . 3.950 3.740 2.422 4.438 0.488 17 0 "[ . 1 . 2]" 1
909 1 89 SER H 1 90 LYS H . . 2.310 2.190 2.064 2.311 0.001 5 0 "[ . 1 . 2]" 1
910 1 89 SER QB 1 90 LYS H . . 3.520 3.117 2.614 3.708 0.188 9 0 "[ . 1 . 2]" 1
911 1 90 LYS H 1 90 LYS QB . . 2.430 2.221 2.047 2.284 . 0 0 "[ . 1 . 2]" 1
912 1 88 ARG QB 1 90 LYS H . . 5.800 5.209 5.062 5.434 . 0 0 "[ . 1 . 2]" 1
913 1 90 LYS H 1 90 LYS QD . . 4.850 4.726 4.103 4.862 0.012 7 0 "[ . 1 . 2]" 1
914 1 90 LYS H 1 90 LYS HA . . 3.000 2.862 2.818 2.920 . 0 0 "[ . 1 . 2]" 1
915 1 90 LYS H 1 91 ILE HA . . 5.600 5.268 5.061 5.390 . 0 0 "[ . 1 . 2]" 1
916 1 90 LYS H 1 91 ILE H . . 3.100 2.684 2.407 2.860 . 0 0 "[ . 1 . 2]" 1
917 1 90 LYS H 1 91 ILE HB . . 5.780 5.249 4.790 5.606 . 0 0 "[ . 1 . 2]" 1
918 1 90 LYS H 1 92 ALA HA . . 5.910 5.689 5.378 6.076 0.166 19 0 "[ . 1 . 2]" 1
919 1 89 SER HA 1 90 LYS H . . 3.700 3.494 3.444 3.572 . 0 0 "[ . 1 . 2]" 1
920 1 90 LYS H 1 93 LYS H . . 6.100 6.278 5.587 6.724 0.624 16 3 "[- . 1 *.+ 2]" 1
921 1 13 LEU QB 1 91 ILE H . . 3.530 3.899 3.732 4.010 0.480 8 0 "[ . 1 . 2]" 1
922 1 13 LEU QD 1 91 ILE H . . 3.100 3.303 2.993 3.466 0.366 8 0 "[ . 1 . 2]" 1
923 1 87 ASP HB2 1 91 ILE H . . 5.100 5.565 5.319 5.774 0.674 7 7 "[*- **+ ** . 2]" 1
924 1 87 ASP HA 1 91 ILE H . . 3.510 3.318 3.028 3.593 0.083 1 0 "[ . 1 . 2]" 1
925 1 87 ASP HB3 1 91 ILE H . . 4.800 4.456 4.152 4.693 . 0 0 "[ . 1 . 2]" 1
926 1 90 LYS QE 1 91 ILE H . . 5.000 3.853 3.352 5.450 0.450 9 0 "[ . 1 . 2]" 1
927 1 89 SER HG 1 91 ILE H . . 6.100 6.065 5.110 6.690 0.590 1 2 "[+- . 1 . 2]" 1
928 1 89 SER H 1 91 ILE H . . 4.430 4.200 3.898 4.451 0.021 5 0 "[ . 1 . 2]" 1
929 1 90 LYS QB 1 91 ILE H . . 2.700 2.232 2.004 2.447 . 0 0 "[ . 1 . 2]" 1
930 1 90 LYS QG 1 91 ILE H . . 4.000 3.260 2.715 4.074 0.074 11 0 "[ . 1 . 2]" 1
931 1 91 ILE H 1 91 ILE HB . . 3.000 2.745 2.646 2.918 . 0 0 "[ . 1 . 2]" 1
932 1 91 ILE H 1 91 ILE HG13 . . 2.230 2.087 2.001 2.221 . 0 0 "[ . 1 . 2]" 1
933 1 91 ILE H 1 91 ILE HG12 . . 2.760 3.162 3.094 3.231 0.471 20 0 "[ . 1 . 2]" 1
934 1 91 ILE H 1 92 ALA MB . . 4.300 4.313 4.120 4.418 0.118 5 0 "[ . 1 . 2]" 1
935 1 91 ILE H 1 91 ILE HA . . 3.100 2.938 2.924 2.955 . 0 0 "[ . 1 . 2]" 1
936 1 90 LYS HA 1 91 ILE H . . 3.700 3.563 3.535 3.587 . 0 0 "[ . 1 . 2]" 1
937 1 91 ILE H 1 92 ALA HA . . 4.530 4.782 4.570 5.012 0.482 9 0 "[ . 1 . 2]" 1
938 1 89 SER HA 1 91 ILE H . . 4.800 4.990 4.727 5.266 0.466 18 0 "[ . 1 . 2]" 1
939 1 91 ILE H 1 93 LYS H . . 4.700 4.902 4.368 5.205 0.505 16 1 "[ . 1 .+ 2]" 1
940 1 13 LEU QB 1 92 ALA H . . 5.930 5.583 5.319 5.876 . 0 0 "[ . 1 . 2]" 1
941 1 13 LEU QD 1 92 ALA H . . 3.600 3.848 3.577 4.012 0.412 6 0 "[ . 1 . 2]" 1
942 1 87 ASP HA 1 92 ALA H . . 5.840 5.822 5.295 6.228 0.388 1 0 "[ . 1 . 2]" 1
943 1 89 SER HG 1 92 ALA H . . 5.660 5.676 4.865 6.266 0.606 10 3 "[ . + *- 2]" 1
944 1 90 LYS QB 1 92 ALA H . . 4.950 4.341 4.143 4.505 . 0 0 "[ . 1 . 2]" 1
945 1 92 ALA H 1 93 LYS QB . . 5.600 4.911 4.664 5.473 . 0 0 "[ . 1 . 2]" 1
946 1 90 LYS H 1 92 ALA H . . 4.000 3.729 3.472 4.054 0.054 14 0 "[ . 1 . 2]" 1
947 1 91 ILE HB 1 92 ALA H . . 4.000 4.110 3.860 4.273 0.273 1 0 "[ . 1 . 2]" 1
948 1 91 ILE H 1 92 ALA H . . 3.000 2.759 2.562 2.970 . 0 0 "[ . 1 . 2]" 1
949 1 91 ILE HA 1 92 ALA H . . 3.100 3.005 2.831 3.207 0.107 19 0 "[ . 1 . 2]" 1
950 1 90 LYS HA 1 92 ALA H . . 4.200 3.929 3.621 4.065 . 0 0 "[ . 1 . 2]" 1
951 1 91 ILE HG13 1 92 ALA H . . 4.400 4.629 4.433 4.776 0.376 5 0 "[ . 1 . 2]" 1
952 1 92 ALA H 1 92 ALA HA . . 3.000 2.802 2.753 2.854 . 0 0 "[ . 1 . 2]" 1
953 1 89 SER HA 1 92 ALA H . . 3.600 3.784 3.472 4.046 0.446 5 0 "[ . 1 . 2]" 1
954 1 92 ALA H 1 93 LYS HE3 . . 6.100 5.474 3.871 6.816 0.716 1 1 "[+ . 1 . 2]" 1
955 1 92 ALA H 1 93 LYS H . . 2.800 2.674 2.537 2.802 0.002 16 0 "[ . 1 . 2]" 1
956 1 92 ALA H 1 93 LYS HE2 . . 6.100 5.388 4.075 6.404 0.304 19 0 "[ . 1 . 2]" 1
957 1 92 ALA H 1 93 LYS QG . . 5.000 4.767 4.109 5.555 0.555 18 3 "[ . 1 - * + 2]" 1
958 1 90 LYS QG 1 92 ALA H . . 5.200 4.837 4.636 5.153 . 0 0 "[ . 1 . 2]" 1
959 1 91 ILE HG12 1 92 ALA H . . 4.720 5.059 4.979 5.112 0.392 12 0 "[ . 1 . 2]" 1
960 1 92 ALA H 1 92 ALA MB . . 2.200 2.241 2.206 2.261 0.061 15 0 "[ . 1 . 2]" 1
961 1 91 ILE HA 1 93 LYS H . . 3.200 3.221 2.581 3.542 0.342 20 0 "[ . 1 . 2]" 1
962 1 90 LYS HA 1 93 LYS H . . 6.000 5.620 4.743 6.295 0.295 16 0 "[ . 1 . 2]" 1
963 1 91 ILE HB 1 93 LYS H . . 5.000 5.314 4.974 5.530 0.530 4 2 "[ +. 1 . - 2]" 1
964 1 93 LYS H 1 94 PRO QG . . 5.000 5.176 4.428 5.570 0.570 12 3 "[ . 1 +- * 2]" 1
965 1 92 ALA HA 1 93 LYS H . . 3.560 3.482 3.372 3.552 . 0 0 "[ . 1 . 2]" 1
966 1 93 LYS H 1 94 PRO HA . . 4.610 4.736 4.438 5.044 0.434 11 0 "[ . 1 . 2]" 1
967 1 89 SER HA 1 93 LYS H . . 5.700 5.877 5.415 6.349 0.649 14 2 "[ - 1 +. 2]" 1
968 1 93 LYS H 1 93 LYS QB . . 3.380 2.592 2.451 3.095 . 0 0 "[ . 1 . 2]" 1
969 1 93 LYS H 1 93 LYS QG . . 3.130 2.810 2.386 3.492 0.362 14 0 "[ . 1 . 2]" 1
970 1 91 ILE HG12 1 93 LYS H . . 5.710 5.968 5.211 6.381 0.671 16 6 "[ *. * 1 .+*- *]" 1
971 1 92 ALA MB 1 93 LYS H . . 3.100 2.755 2.533 3.160 0.060 9 0 "[ . 1 . 2]" 1
972 1 93 LYS H 1 93 LYS HA . . 3.100 2.957 2.916 2.976 . 0 0 "[ . 1 . 2]" 1
973 1 94 PRO QB 1 95 SER H . . 2.930 2.820 2.076 3.372 0.442 9 0 "[ . 1 . 2]" 1
974 1 95 SER H 1 96 GLU QG . . 5.000 4.653 4.038 5.491 0.491 11 0 "[ . 1 . 2]" 1
975 1 94 PRO HA 1 95 SER H . . 2.540 2.354 2.123 2.670 0.130 15 0 "[ . 1 . 2]" 1
976 1 95 SER H 1 95 SER HA . . 3.100 2.883 2.790 2.976 . 0 0 "[ . 1 . 2]" 1
977 1 95 SER H 1 97 THR HA . . 6.000 6.384 5.668 6.775 0.775 18 12 "[***-.* **1 * *.* + *]" 1
978 1 95 SER H 1 96 GLU HA . . 4.900 5.208 4.750 5.417 0.517 3 2 "[ + . 1 -. 2]" 1
979 1 94 PRO QG 1 95 SER H . . 4.670 4.355 3.644 4.857 0.187 16 0 "[ . 1 . 2]" 1
980 1 95 SER H 1 96 GLU QB . . 5.000 4.929 4.259 5.700 0.700 15 2 "[ - 1 + 2]" 1
981 1 95 SER H 1 95 SER HG . . 3.780 4.262 4.223 4.308 0.528 11 5 "[ - . * 1+ . * *2]" 1
982 1 95 SER H 1 95 SER HB3 . . 2.600 2.470 2.369 2.633 0.033 17 0 "[ . 1 . 2]" 1
983 1 95 SER H 1 98 LEU H . . 4.760 4.696 3.834 5.288 0.528 8 2 "[ -. + 1 . 2]" 1
984 1 94 PRO QG 1 96 GLU H . . 5.250 5.291 4.791 5.488 0.238 4 0 "[ . 1 . 2]" 1
985 1 96 GLU H 1 96 GLU QB . . 2.800 2.608 2.424 3.098 0.298 15 0 "[ . 1 . 2]" 1
986 1 95 SER HA 1 96 GLU H . . 3.550 3.566 3.451 3.610 0.060 11 0 "[ . 1 . 2]" 1
987 1 96 GLU H 1 96 GLU HA . . 3.100 2.944 2.843 2.972 . 0 0 "[ . 1 . 2]" 1
988 1 94 PRO HA 1 96 GLU H . . 5.100 4.741 4.013 5.660 0.560 13 2 "[ . 1 + - 2]" 1
989 1 96 GLU H 1 97 THR HA . . 5.100 5.022 4.488 5.324 0.224 17 0 "[ . 1 . 2]" 1
990 1 95 SER HB3 1 96 GLU H . . 2.690 2.328 1.893 2.926 0.236 16 0 "[ . 1 . 2]" 1
991 1 95 SER HG 1 96 GLU H . . 3.360 3.458 2.704 3.835 0.475 16 0 "[ . 1 . 2]" 1
992 1 96 GLU H 1 96 GLU QG . . 3.760 2.650 1.940 3.259 . 0 0 "[ . 1 . 2]" 1
993 1 94 PRO QB 1 96 GLU H . . 4.700 3.815 3.371 4.108 . 0 0 "[ . 1 . 2]" 1
994 1 96 GLU QG 1 97 THR H . . 4.400 4.078 2.926 4.812 0.412 11 0 "[ . 1 . 2]" 1
995 1 94 PRO QB 1 97 THR H . . 5.700 3.250 2.402 4.224 . 0 0 "[ . 1 . 2]" 1
996 1 94 PRO HA 1 97 THR H . . 6.100 5.201 4.608 5.923 . 0 0 "[ . 1 . 2]" 1
997 1 97 THR H 1 97 THR HA . . 3.100 2.911 2.790 2.969 . 0 0 "[ . 1 . 2]" 1
998 1 95 SER HA 1 97 THR H . . 5.100 4.293 3.790 4.713 . 0 0 "[ . 1 . 2]" 1
999 1 96 GLU HA 1 97 THR H . . 3.600 3.008 2.502 3.443 . 0 0 "[ . 1 . 2]" 1
1000 1 95 SER HG 1 97 THR H . . 5.750 5.332 4.791 5.743 . 0 0 "[ . 1 . 2]" 1
1001 1 96 GLU QB 1 97 THR H . . 4.050 3.807 3.016 3.970 . 0 0 "[ . 1 . 2]" 1
1002 1 94 PRO QG 1 97 THR H . . 5.700 3.980 3.341 4.907 . 0 0 "[ . 1 . 2]" 1
1003 1 97 THR H 1 97 THR HG1 . . 4.760 3.269 2.011 4.481 . 0 0 "[ . 1 . 2]" 1
1004 1 94 PRO QG 1 98 LEU H . . 5.160 2.674 1.834 4.242 . 0 0 "[ . 1 . 2]" 1
1005 1 96 GLU QB 1 98 LEU H . . 5.560 5.608 5.020 6.007 0.447 12 0 "[ . 1 . 2]" 1
1006 1 97 THR HA 1 98 LEU H . . 3.460 3.558 3.319 3.601 0.141 3 0 "[ . 1 . 2]" 1
1007 1 95 SER HA 1 98 LEU H . . 5.200 4.757 3.753 5.632 0.432 4 0 "[ . 1 . 2]" 1
1008 1 96 GLU HA 1 98 LEU H . . 4.700 4.762 3.838 5.316 0.616 6 4 "[ * .+ 1 .- *2]" 1
1009 1 94 PRO HA 1 98 LEU H . . 4.900 5.072 4.332 5.445 0.545 17 5 "[ *. * 1 * - + 2]" 1
1010 1 98 LEU H 1 98 LEU QB . . 2.830 2.744 2.259 3.017 0.187 8 0 "[ . 1 . 2]" 1
1011 1 98 LEU H 1 98 LEU HA . . 3.100 2.725 2.210 2.962 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 176
_Distance_constraint_stats_list.Viol_count 1125
_Distance_constraint_stats_list.Viol_total 6029.924
_Distance_constraint_stats_list.Viol_max 0.757
_Distance_constraint_stats_list.Viol_rms 0.1619
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0857
_Distance_constraint_stats_list.Viol_average_violations_only 0.2680
_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 4 SER 0.086 0.086 12 0 "[ . 1 . 2]"
1 5 ASP 3.421 0.631 7 2 "[ . + 1- . 2]"
1 8 VAL 12.441 0.511 13 1 "[ . 1 + . 2]"
1 9 LYS 1.287 0.451 18 0 "[ . 1 . 2]"
1 10 TYR 26.731 0.664 7 13 "[ * **+*****- ** *2]"
1 11 TYR 105.351 0.704 1 18 "[+ **********-**** **]"
1 12 THR 11.581 0.520 8 4 "[ *. +*1 - . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 12.104 0.533 17 2 "[- . 1 . + 2]"
1 19 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 3.153 0.456 2 0 "[ . 1 . 2]"
1 25 THR 9.986 0.567 9 8 "[** . * +1 .*- **]"
1 26 TRP 54.033 0.704 1 19 "[+********-******* **]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 15.063 0.517 17 2 "[ . - . + 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 HIS 3.232 0.614 12 2 "[ - . 1 + . 2]"
1 31 HIS 0.397 0.332 9 0 "[ . 1 . 2]"
1 32 LYS 8.939 0.663 20 6 "[- * 1 * . * *+]"
1 33 VAL 16.717 0.468 17 0 "[ . 1 . 2]"
1 34 TYR 48.629 0.757 5 13 "[ * *+* * **- *.*** *]"
1 39 PHE 39.508 0.747 8 20 [*****-*+************]
1 42 GLU 4.414 0.719 7 5 "[ .-+ 1* *. *]"
1 43 TRP 20.658 0.747 8 19 "[** ****+*****-******]"
1 44 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 5.640 0.582 6 5 "[* .+* 1 .*- 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLN 7.069 0.524 20 1 "[ . 1 . +]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 0.473 0.284 10 0 "[ . 1 . 2]"
1 58 ALA 5.627 0.624 8 4 "[- . + 1 * . * 2]"
1 61 ASN 15.961 0.653 1 13 "[+- .****** **** *]"
1 62 PHE 9.557 0.624 17 2 "[ . 1 . + -]"
1 64 ASP 12.127 0.653 1 10 "[+- .* **** ** *]"
1 66 GLY 3.002 0.525 19 1 "[ . 1 . +2]"
1 67 PHE 7.814 0.691 9 3 "[ - . +1 * . 2]"
1 71 ALA 1.698 0.252 10 0 "[ . 1 . 2]"
1 74 LEU 1.486 0.709 19 1 "[ . 1 . +2]"
1 75 SER 9.992 0.546 17 2 "[ . 1 - . + 2]"
1 76 LYS 1.696 0.536 16 1 "[ . 1 .+ 2]"
1 77 LYS 9.810 0.757 5 11 "[ *-*+* * ** .* * *]"
1 78 TYR 13.378 0.627 5 6 "[ * + * 1* *. -]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 18.313 0.472 7 0 "[ . 1 . 2]"
1 81 GLY 19.583 0.663 20 6 "[- * 1 * . * *+]"
1 82 GLU 0.087 0.087 19 0 "[ . 1 . 2]"
1 83 LEU 21.521 0.520 8 4 "[ *. +*1 - . 2]"
1 84 HIS 16.583 0.664 7 11 "[ * **+*** * ** -2]"
1 85 PRO 8.506 0.467 13 0 "[ . 1 . 2]"
1 86 ASP 4.851 0.718 19 2 "[ . - 1 . +2]"
1 87 ASP 0.200 0.200 11 0 "[ . 1 . 2]"
1 88 ARG 2.797 0.614 12 2 "[ - . 1 + . 2]"
1 90 LYS 2.546 0.718 19 2 "[ . - 1 . +2]"
1 97 THR 0.000 0.000 . 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 4 SER HA 1 8 VAL MG1 . . 6.000 4.179 3.588 4.829 . 0 0 "[ . 1 . 2]" 2
2 1 5 ASP HA 1 8 VAL MG1 . . 4.200 4.045 3.814 4.548 0.348 15 0 "[ . 1 . 2]" 2
3 1 8 VAL MG1 1 10 TYR HA . . 4.950 5.193 4.874 5.441 0.491 10 0 "[ . 1 . 2]" 2
4 1 9 LYS QB 1 81 GLY QA . . 3.400 2.410 2.149 2.719 . 0 0 "[ . 1 . 2]" 2
5 1 32 LYS HD3 1 81 GLY QA . . 5.950 5.606 4.116 6.613 0.663 20 6 "[- * 1 * . * *+]" 2
6 1 80 ILE HB 1 81 GLY QA . . 5.200 5.302 5.233 5.358 0.158 19 0 "[ . 1 . 2]" 2
7 1 32 LYS HD2 1 81 GLY QA . . 5.500 4.890 3.962 5.719 0.219 5 0 "[ . 1 . 2]" 2
8 1 4 SER HB3 1 10 TYR QE . . 4.100 3.760 3.249 4.186 0.086 12 0 "[ . 1 . 2]" 2
9 1 8 VAL MG2 1 10 TYR QE . . 4.600 3.771 3.214 4.302 . 0 0 "[ . 1 . 2]" 2
10 1 8 VAL MG1 1 10 TYR QE . . 3.900 2.138 1.808 2.424 . 0 0 "[ . 1 . 2]" 2
11 1 9 LYS HA 1 10 TYR QD . . 3.300 3.216 2.914 3.686 0.386 18 0 "[ . 1 . 2]" 2
12 1 10 TYR QD 1 81 GLY QA . . 5.600 5.239 5.022 5.435 . 0 0 "[ . 1 . 2]" 2
13 1 9 LYS QB 1 10 TYR QD . . 5.100 4.865 4.581 5.053 . 0 0 "[ . 1 . 2]" 2
14 1 10 TYR QD 1 82 GLU HB2 . . 5.900 5.749 5.621 5.987 0.087 19 0 "[ . 1 . 2]" 2
15 1 10 TYR HA 1 10 TYR QD . . 3.500 3.110 3.031 3.170 . 0 0 "[ . 1 . 2]" 2
16 1 5 ASP HA 1 10 TYR QD . . 4.500 3.356 2.293 4.084 . 0 0 "[ . 1 . 2]" 2
17 1 10 TYR QD 1 11 TYR QD . . 5.410 5.837 5.665 6.004 0.594 11 6 "[ * * *1+*- . 2]" 2
18 1 10 TYR QD 1 84 HIS HA . . 4.350 4.064 3.556 4.553 0.203 5 0 "[ . 1 . 2]" 2
19 1 11 TYR QD 1 26 TRP HD1 . . 5.200 5.429 5.201 5.672 0.472 12 0 "[ . 1 . 2]" 2
20 1 10 TYR HA 1 82 GLU QB . . 4.950 4.604 4.430 4.784 . 0 0 "[ . 1 . 2]" 2
21 1 10 TYR HA 1 83 LEU MD2 . . 5.810 5.450 5.284 5.725 . 0 0 "[ . 1 . 2]" 2
22 1 83 LEU MD1 1 86 ASP HA . . 5.900 6.036 5.956 6.140 0.240 16 0 "[ . 1 . 2]" 2
23 1 83 LEU HA 1 83 LEU MD2 . . 3.200 1.973 1.951 2.010 . 0 0 "[ . 1 . 2]" 2
24 1 83 LEU HA 1 83 LEU MD1 . . 2.700 2.889 2.795 3.039 0.339 12 0 "[ . 1 . 2]" 2
25 1 10 TYR QD 1 84 HIS HD1 . . 5.300 5.772 5.295 5.964 0.664 7 11 "[ * **+*** * ** -2]" 2
26 1 9 LYS QD 1 11 TYR QE . . 3.300 2.670 1.857 3.751 0.451 18 0 "[ . 1 . 2]" 2
27 1 9 LYS QB 1 11 TYR QE . . 3.000 2.250 1.972 2.599 . 0 0 "[ . 1 . 2]" 2
28 1 11 TYR QE 1 80 ILE HB . . 5.000 5.124 4.752 5.421 0.421 17 0 "[ . 1 . 2]" 2
29 1 11 TYR QB 1 11 TYR QE . . 4.400 3.953 3.935 3.964 . 0 0 "[ . 1 . 2]" 2
30 1 5 ASP HB3 1 11 TYR QE . . 6.000 6.077 5.520 6.631 0.631 7 2 "[ . + 1- . 2]" 2
31 1 11 TYR QE 1 26 TRP HD1 . . 4.000 4.384 4.121 4.502 0.502 10 1 "[ . + . 2]" 2
32 1 11 TYR QE 1 16 ILE HG13 . . 4.350 4.726 4.388 4.883 0.533 17 2 "[- . 1 . + 2]" 2
33 1 11 TYR QE 1 80 ILE MD . . 3.600 2.986 2.607 3.330 . 0 0 "[ . 1 . 2]" 2
34 1 11 TYR QE 1 81 GLY QA . . 3.700 3.999 3.628 4.088 0.388 12 0 "[ . 1 . 2]" 2
35 1 9 LYS HA 1 11 TYR QE . . 5.400 4.906 4.524 5.400 . 11 0 "[ . 1 . 2]" 2
36 1 11 TYR QE 1 83 LEU MD2 . . 5.800 5.411 5.267 5.593 . 0 0 "[ . 1 . 2]" 2
37 1 11 TYR QE 1 33 VAL QG . . 3.200 3.243 3.109 3.313 0.113 1 0 "[ . 1 . 2]" 2
38 1 8 VAL MG2 1 11 TYR QE . . 6.000 6.337 5.977 6.511 0.511 13 1 "[ . 1 + . 2]" 2
39 1 11 TYR QE 1 80 ILE MG . . 3.200 3.000 2.616 3.384 0.184 1 0 "[ . 1 . 2]" 2
40 1 10 TYR HA 1 11 TYR HA . . 4.500 4.487 4.442 4.540 0.040 17 0 "[ . 1 . 2]" 2
41 1 11 TYR HA 1 83 LEU HA . . 4.700 4.725 4.656 4.816 0.116 19 0 "[ . 1 . 2]" 2
42 1 9 LYS QB 1 11 TYR HA . . 5.900 5.070 4.673 5.767 . 0 0 "[ . 1 . 2]" 2
43 1 11 TYR HA 1 33 VAL QG . . 4.700 4.158 4.099 4.229 . 0 0 "[ . 1 . 2]" 2
44 1 11 TYR HA 1 80 ILE MG . . 5.810 6.135 6.002 6.282 0.472 7 0 "[ . 1 . 2]" 2
45 1 9 LYS QB 1 11 TYR QD . . 3.510 2.724 2.381 3.142 . 0 0 "[ . 1 . 2]" 2
46 1 11 TYR QD 1 12 THR MG . . 5.450 5.585 5.440 5.752 0.302 12 0 "[ . 1 . 2]" 2
47 1 11 TYR QD 1 13 LEU QD . . 6.000 5.531 5.151 5.795 . 0 0 "[ . 1 . 2]" 2
48 1 11 TYR QD 1 13 LEU HA . . 6.100 5.340 5.085 5.631 . 0 0 "[ . 1 . 2]" 2
49 1 11 TYR QD 1 16 ILE MD . . 3.100 2.941 2.424 3.431 0.331 3 0 "[ . 1 . 2]" 2
50 1 11 TYR QD 1 28 ILE MG . . 4.700 5.086 4.941 5.217 0.517 17 2 "[ . - . + 2]" 2
51 1 11 TYR QD 1 33 VAL HB . . 4.100 4.379 4.298 4.456 0.356 17 0 "[ . 1 . 2]" 2
52 1 11 TYR QD 1 15 GLU QG . . 4.600 3.635 2.501 4.398 . 0 0 "[ . 1 . 2]" 2
53 1 11 TYR QD 1 33 VAL HA . . 5.710 6.097 6.042 6.178 0.468 17 0 "[ . 1 . 2]" 2
54 1 11 TYR QD 1 12 THR HA . . 5.700 5.704 5.585 5.808 0.108 17 0 "[ . 1 . 2]" 2
55 1 11 TYR QD 1 81 GLY QA . . 3.100 3.387 3.204 3.491 0.391 18 0 "[ . 1 . 2]" 2
56 1 11 TYR QD 1 83 LEU MD2 . . 4.200 3.729 3.560 3.911 . 0 0 "[ . 1 . 2]" 2
57 1 25 THR HA 1 26 TRP HD1 . . 6.000 6.466 6.356 6.567 0.567 9 8 "[** . * +1 .*- **]" 2
58 1 26 TRP HA 1 26 TRP HD1 . . 3.100 3.122 3.023 3.256 0.156 19 0 "[ . 1 . 2]" 2
59 1 26 TRP HB3 1 26 TRP HD1 . . 3.100 2.760 2.702 2.784 . 0 0 "[ . 1 . 2]" 2
60 1 26 TRP HD1 1 80 ILE QG . . 5.100 4.961 4.666 5.441 0.341 12 0 "[ . 1 . 2]" 2
61 1 16 ILE HG12 1 26 TRP HD1 . . 5.900 5.481 5.238 5.708 . 0 0 "[ . 1 . 2]" 2
62 1 26 TRP HD1 1 80 ILE MD . . 4.000 3.226 2.863 3.703 . 0 0 "[ . 1 . 2]" 2
63 1 26 TRP HD1 1 33 VAL QG . . 3.800 3.099 2.773 3.277 . 0 0 "[ . 1 . 2]" 2
64 1 11 TYR QD 1 26 TRP HE3 . . 4.100 4.204 3.871 4.592 0.492 19 0 "[ . 1 . 2]" 2
65 1 15 GLU QG 1 26 TRP HE3 . . 4.720 4.170 3.375 4.457 . 0 0 "[ . 1 . 2]" 2
66 1 16 ILE HA 1 26 TRP HE3 . . 2.300 2.190 1.934 2.530 0.230 5 0 "[ . 1 . 2]" 2
67 1 16 ILE HG12 1 26 TRP HE3 . . 2.210 2.301 2.021 2.571 0.361 5 0 "[ . 1 . 2]" 2
68 1 16 ILE MD 1 26 TRP HE3 . . 3.730 3.724 3.555 3.988 0.258 19 0 "[ . 1 . 2]" 2
69 1 19 HIS QB 1 26 TRP HE3 . . 5.700 4.732 4.246 5.198 . 0 0 "[ . 1 . 2]" 2
70 1 25 THR HA 1 26 TRP HE3 . . 4.100 3.950 3.366 4.208 0.108 2 0 "[ . 1 . 2]" 2
71 1 24 SER HA 1 26 TRP HE3 . . 5.700 4.288 3.833 4.683 . 0 0 "[ . 1 . 2]" 2
72 1 25 THR MG 1 26 TRP HE3 . . 5.460 5.408 4.915 5.606 0.146 10 0 "[ . 1 . 2]" 2
73 1 26 TRP HE3 1 33 VAL QG . . 6.000 4.469 4.317 4.740 . 0 0 "[ . 1 . 2]" 2
74 1 26 TRP HE3 1 80 ILE MG . . 6.000 6.118 5.949 6.348 0.348 7 0 "[ . 1 . 2]" 2
75 1 24 SER HA 1 26 TRP HZ2 . . 3.800 3.883 3.479 4.256 0.456 2 0 "[ . 1 . 2]" 2
76 1 26 TRP HZ2 1 80 ILE MG . . 6.000 5.447 5.054 5.658 . 0 0 "[ . 1 . 2]" 2
77 1 11 TYR QD 1 26 TRP HA . . 6.100 6.724 6.562 6.804 0.704 1 18 "[+ *************** *-]" 2
78 1 26 TRP HA 1 26 TRP HB3 . . 2.500 2.500 2.478 2.519 0.019 10 0 "[ . 1 . 2]" 2
79 1 11 TYR QD 1 26 TRP HB2 . . 4.100 4.252 4.095 4.466 0.366 1 0 "[ . 1 . 2]" 2
80 1 26 TRP HB3 1 34 TYR QD . . 5.750 5.882 5.717 6.095 0.345 9 0 "[ . 1 . 2]" 2
81 1 30 HIS HB3 1 30 HIS HD2 . . 4.000 3.974 3.946 3.994 . 0 0 "[ . 1 . 2]" 2
82 1 30 HIS HA 1 30 HIS HD2 . . 3.150 2.773 2.439 3.188 0.038 3 0 "[ . 1 . 2]" 2
83 1 30 HIS HD1 1 31 HIS HD1 . . 6.000 5.340 4.364 6.332 0.332 9 0 "[ . 1 . 2]" 2
84 1 30 HIS HD2 1 88 ARG QD . . 4.700 3.526 2.572 4.645 . 0 0 "[ . 1 . 2]" 2
85 1 30 HIS HD2 1 88 ARG HG2 . . 5.740 5.656 4.537 6.354 0.614 12 2 "[ - . 1 + . 2]" 2
86 1 33 VAL HA 1 58 ALA MB . . 5.100 4.771 4.514 4.986 . 0 0 "[ . 1 . 2]" 2
87 1 28 ILE HA 1 33 VAL HB . . 4.800 4.522 4.321 4.682 . 0 0 "[ . 1 . 2]" 2
88 1 27 VAL MG2 1 34 TYR QD . . 3.500 2.608 2.284 2.885 . 0 0 "[ . 1 . 2]" 2
89 1 34 TYR QD 1 80 ILE MG . . 4.800 4.813 4.621 5.029 0.229 14 0 "[ . 1 . 2]" 2
90 1 28 ILE HB 1 34 TYR QD . . 4.900 5.267 5.095 5.394 0.494 7 0 "[ . 1 . 2]" 2
91 1 32 LYS QB 1 34 TYR QD . . 5.600 4.386 4.170 4.708 . 0 0 "[ . 1 . 2]" 2
92 1 29 LEU QB 1 34 TYR QD . . 5.900 3.935 3.657 4.201 . 0 0 "[ . 1 . 2]" 2
93 1 34 TYR QD 1 76 LYS QD . . 5.800 4.822 3.835 5.686 . 0 0 "[ . 1 . 2]" 2
94 1 34 TYR QD 1 79 ILE QG . . 6.000 3.845 3.426 4.102 . 0 0 "[ . 1 . 2]" 2
95 1 33 VAL QG 1 34 TYR QD . . 4.100 4.221 4.097 4.282 0.182 6 0 "[ . 1 . 2]" 2
96 1 34 TYR QD 1 58 ALA MB . . 3.600 2.543 2.345 2.705 . 0 0 "[ . 1 . 2]" 2
97 1 34 TYR QD 1 75 SER HB2 . . 5.000 3.961 3.336 4.569 . 0 0 "[ . 1 . 2]" 2
98 1 34 TYR QD 1 77 LYS HA . . 5.600 6.033 5.274 6.357 0.757 5 10 "[ * *+* - ** .* * *]" 2
99 1 32 LYS HA 1 34 TYR QD . . 5.900 6.059 5.905 6.276 0.376 12 0 "[ . 1 . 2]" 2
100 1 34 TYR QD 1 75 SER HG . . 5.900 6.068 5.495 6.446 0.546 17 2 "[ . 1 - . + 2]" 2
101 1 34 TYR QD 1 76 LYS HA . . 4.000 3.680 2.831 4.536 0.536 16 1 "[ . 1 .+ 2]" 2
102 1 34 TYR QD 1 78 TYR HA . . 4.700 5.047 4.759 5.327 0.627 5 5 "[ + * 1* *. -]" 2
103 1 34 TYR QD 1 79 ILE H . . 3.800 3.238 2.891 3.535 . 0 0 "[ . 1 . 2]" 2
104 1 34 TYR QD 1 79 ILE HA . . 3.100 2.433 2.152 2.624 . 0 0 "[ . 1 . 2]" 2
105 1 34 TYR QD 1 83 LEU QB . . 5.950 6.281 6.163 6.367 0.417 5 0 "[ . 1 . 2]" 2
106 1 33 VAL QG 1 34 TYR QE . . 5.430 5.246 5.140 5.344 . 0 0 "[ . 1 . 2]" 2
107 1 34 TYR QE 1 80 ILE MG . . 6.000 6.094 5.875 6.325 0.325 14 0 "[ . 1 . 2]" 2
108 1 34 TYR QE 1 79 ILE MG . . 4.800 4.004 3.529 4.604 . 0 0 "[ . 1 . 2]" 2
109 1 27 VAL MG2 1 34 TYR QE . . 5.000 4.422 4.070 4.725 . 0 0 "[ . 1 . 2]" 2
110 1 39 PHE QD 1 43 TRP QB . . 5.950 5.540 4.047 6.189 0.239 12 0 "[ . 1 . 2]" 2
111 1 39 PHE QD 1 66 GLY QA . . 4.800 3.061 1.971 3.608 . 0 0 "[ . 1 . 2]" 2
112 1 39 PHE QD 1 75 SER HA . . 4.000 3.486 2.809 4.423 0.423 4 0 "[ . 1 . 2]" 2
113 1 39 PHE QE 1 78 TYR QE . . 4.500 4.263 3.471 4.973 0.473 8 0 "[ . 1 . 2]" 2
114 1 39 PHE QE 1 42 GLU HB3 . . 6.000 5.976 4.849 6.719 0.719 7 5 "[ .-+ 1* *. *]" 2
115 1 39 PHE QE 1 43 TRP HD1 . . 6.000 6.663 6.478 6.747 0.747 8 19 "[** ****+*****-******]" 2
116 1 39 PHE QE 1 58 ALA MB . . 6.100 6.310 5.386 6.724 0.624 8 4 "[- . + 1 * . * 2]" 2
117 1 39 PHE QE 1 62 PHE QB . . 3.800 3.529 2.935 4.178 0.378 10 0 "[ . 1 . 2]" 2
118 1 39 PHE QE 1 67 PHE HB3 . . 5.500 5.472 4.861 6.080 0.580 12 2 "[ - . 1 + . 2]" 2
119 1 39 PHE QE 1 66 GLY QA . . 4.000 1.940 1.685 3.161 . 0 0 "[ . 1 . 2]" 2
120 1 39 PHE QE 1 71 ALA MB . . 3.000 3.009 2.138 3.252 0.252 10 0 "[ . 1 . 2]" 2
121 1 39 PHE QE 1 75 SER HG . . 5.100 4.373 3.824 4.959 . 0 0 "[ . 1 . 2]" 2
122 1 39 PHE QE 1 78 TYR QD . . 4.200 3.801 2.410 4.667 0.467 2 0 "[ . 1 . 2]" 2
123 1 39 PHE QE 1 62 PHE QD . . 4.500 4.341 3.703 4.990 0.490 12 0 "[ . 1 . 2]" 2
124 1 39 PHE HA 1 43 TRP HD1 . . 5.900 5.916 5.321 6.569 0.669 9 1 "[ . +1 . 2]" 2
125 1 42 GLU QB 1 43 TRP HD1 . . 5.000 2.539 1.796 3.758 . 0 0 "[ . 1 . 2]" 2
126 1 43 TRP HD1 1 44 PRO QD . . 5.300 4.290 4.023 4.845 . 0 0 "[ . 1 . 2]" 2
127 1 43 TRP HA 1 43 TRP HD1 . . 3.300 3.081 2.561 3.412 0.112 3 0 "[ . 1 . 2]" 2
128 1 43 TRP HD1 1 67 PHE HB3 . . 6.000 5.552 4.852 6.691 0.691 9 1 "[ . +1 . 2]" 2
129 1 43 TRP HD1 1 74 LEU HG . . 5.900 5.418 4.256 6.609 0.709 19 1 "[ . 1 . +2]" 2
130 1 43 TRP HE3 1 67 PHE HB3 . . 3.600 3.596 3.094 4.060 0.460 19 0 "[ . 1 . 2]" 2
131 1 52 GLU HG3 1 53 GLN QE . . 5.800 4.930 4.561 5.428 . 0 0 "[ . 1 . 2]" 2
132 1 53 GLN QB 1 53 GLN QE . . 3.600 2.101 1.788 2.794 . 0 0 "[ . 1 . 2]" 2
133 1 53 GLN QE 1 56 GLY HA3 . . 6.000 4.123 3.320 5.336 . 0 0 "[ . 1 . 2]" 2
134 1 53 GLN QE 1 57 ASP QB . . 4.530 4.221 3.596 4.814 0.284 10 0 "[ . 1 . 2]" 2
135 1 53 GLN QE 1 64 ASP HB3 . . 4.720 4.509 3.694 5.001 0.281 2 0 "[ . 1 . 2]" 2
136 1 53 GLN QE 1 61 ASN HD22 . . 2.420 2.322 1.929 2.665 0.245 1 0 "[ . 1 . 2]" 2
137 1 53 GLN QE 1 64 ASP HB2 . . 5.200 5.368 4.543 5.724 0.524 20 1 "[ . 1 . +]" 2
138 1 53 GLN QE 1 97 THR MG . . 6.000 4.243 3.428 5.519 . 0 0 "[ . 1 . 2]" 2
139 1 27 VAL HA 1 57 ASP HA . . 6.000 5.508 5.195 5.734 . 0 0 "[ . 1 . 2]" 2
140 1 57 ASP HA 1 58 ALA MB . . 4.200 4.006 3.916 4.126 . 0 0 "[ . 1 . 2]" 2
141 1 57 ASP QB 1 58 ALA HA . . 5.270 4.478 4.296 4.602 . 0 0 "[ . 1 . 2]" 2
142 1 58 ALA HA 1 61 ASN QB . . 4.000 2.695 1.993 3.146 . 0 0 "[ . 1 . 2]" 2
143 1 50 LEU HA 1 61 ASN HD21 . . 5.100 5.380 5.065 5.682 0.582 6 5 "[* .+* 1 .*- 2]" 2
144 1 61 ASN HD21 1 62 PHE HA . . 4.900 4.362 3.568 5.524 0.624 17 2 "[ . 1 . + -]" 2
145 1 61 ASN HD21 1 62 PHE QB . . 6.000 5.476 4.487 6.552 0.552 17 1 "[ . 1 . + 2]" 2
146 1 61 ASN HD21 1 62 PHE H . . 5.000 4.388 3.755 4.920 . 0 0 "[ . 1 . 2]" 2
147 1 61 ASN HD21 1 64 ASP HB2 . . 5.240 4.848 3.429 5.893 0.653 1 7 "[+ .* - ** ** 2]" 2
148 1 61 ASN HD22 1 64 ASP HB2 . . 5.650 5.390 4.298 6.168 0.518 9 1 "[ . +1 . 2]" 2
149 1 61 ASN HD22 1 64 ASP HB3 . . 4.960 4.100 3.410 5.461 0.501 2 1 "[ + . 1 . 2]" 2
150 1 57 ASP QB 1 61 ASN HD22 . . 6.000 4.929 4.603 5.261 . 0 0 "[ . 1 . 2]" 2
151 1 61 ASN QB 1 62 PHE QD . . 5.480 4.663 3.933 5.362 . 0 0 "[ . 1 . 2]" 2
152 1 62 PHE HA 1 62 PHE QD . . 3.900 3.770 3.640 3.813 . 0 0 "[ . 1 . 2]" 2
153 1 62 PHE QD 1 75 SER HG . . 3.100 3.006 2.385 3.423 0.323 13 0 "[ . 1 . 2]" 2
154 1 39 PHE QE 1 62 PHE HA . . 4.200 3.977 3.190 4.465 0.265 2 0 "[ . 1 . 2]" 2
155 1 64 ASP HA 1 64 ASP HB2 . . 3.000 2.534 2.402 3.060 0.060 2 0 "[ . 1 . 2]" 2
156 1 39 PHE HZ 1 66 GLY QA . . 4.400 3.684 2.910 4.925 0.525 19 1 "[ . 1 . +2]" 2
157 1 66 GLY QA 1 67 PHE QD . . 3.000 3.058 2.619 3.341 0.341 16 0 "[ . 1 . 2]" 2
158 1 43 TRP HD1 1 67 PHE QE . . 5.360 3.539 3.096 3.703 . 0 0 "[ . 1 . 2]" 2
159 1 39 PHE QD 1 67 PHE QE . . 5.200 3.363 2.281 3.898 . 0 0 "[ . 1 . 2]" 2
160 1 34 TYR QD 1 75 SER HA . . 4.500 4.242 3.662 4.934 0.434 3 0 "[ . 1 . 2]" 2
161 1 75 SER HA 1 78 TYR QE . . 5.300 5.079 4.033 5.734 0.434 11 0 "[ . 1 . 2]" 2
162 1 77 LYS QE 1 78 TYR QE . . 5.000 4.023 2.110 5.526 0.526 3 1 "[ + . 1 . 2]" 2
163 1 39 PHE QB 1 78 TYR QE . . 5.000 3.449 2.726 4.563 . 0 0 "[ . 1 . 2]" 2
164 1 34 TYR QE 1 79 ILE H . . 5.080 4.234 3.786 4.720 . 0 0 "[ . 1 . 2]" 2
165 1 12 THR MG 1 83 LEU HA . . 5.300 5.686 5.344 5.820 0.520 8 4 "[ *. +*1 - . 2]" 2
166 1 83 LEU HA 1 85 PRO QD . . 5.710 5.574 5.355 5.722 0.012 3 0 "[ . 1 . 2]" 2
167 1 10 TYR HA 1 85 PRO QD . . 6.000 6.048 5.666 6.467 0.467 13 0 "[ . 1 . 2]" 2
168 1 84 HIS HD2 1 85 PRO QD . . 3.300 3.597 3.262 3.760 0.460 14 0 "[ . 1 . 2]" 2
169 1 10 TYR QD 1 85 PRO QD . . 4.700 4.290 3.872 4.740 0.040 5 0 "[ . 1 . 2]" 2
170 1 84 HIS HA 1 84 HIS HD2 . . 2.520 2.415 2.280 2.606 0.086 4 0 "[ . 1 . 2]" 2
171 1 12 THR HA 1 84 HIS HD2 . . 5.700 5.239 4.527 6.032 0.332 4 0 "[ . 1 . 2]" 2
172 1 84 HIS HD2 1 85 PRO QG . . 5.900 5.496 4.935 5.685 . 0 0 "[ . 1 . 2]" 2
173 1 84 HIS HB3 1 90 LYS QZ . . 6.000 5.426 4.739 6.197 0.197 19 0 "[ . 1 . 2]" 2
174 1 86 ASP QB 1 90 LYS QZ . . 5.100 3.750 2.977 4.559 . 0 0 "[ . 1 . 2]" 2
175 1 87 ASP HB3 1 90 LYS QZ . . 4.500 3.939 3.354 4.700 0.200 11 0 "[ . 1 . 2]" 2
176 1 86 ASP HA 1 90 LYS QZ . . 5.700 5.259 4.091 6.418 0.718 19 2 "[ . - 1 . +2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 35
_Distance_constraint_stats_list.Viol_count 159
_Distance_constraint_stats_list.Viol_total 505.027
_Distance_constraint_stats_list.Viol_max 0.387
_Distance_constraint_stats_list.Viol_rms 0.0847
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0361
_Distance_constraint_stats_list.Viol_average_violations_only 0.1588
_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 9 LYS 0.130 0.110 5 0 "[ . 1 . 2]"
1 11 TYR 0.023 0.023 7 0 "[ . 1 . 2]"
1 13 LEU 0.140 0.140 2 0 "[ . 1 . 2]"
1 17 GLN 0.140 0.140 2 0 "[ . 1 . 2]"
1 25 THR 2.917 0.285 20 0 "[ . 1 . 2]"
1 26 TRP 3.314 0.288 19 0 "[ . 1 . 2]"
1 27 VAL 0.072 0.058 5 0 "[ . 1 . 2]"
1 28 ILE 3.556 0.364 13 0 "[ . 1 . 2]"
1 29 LEU 1.551 0.151 9 0 "[ . 1 . 2]"
1 32 LYS 1.551 0.151 9 0 "[ . 1 . 2]"
1 33 VAL 0.511 0.142 12 0 "[ . 1 . 2]"
1 34 TYR 0.072 0.058 5 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 2.917 0.285 20 0 "[ . 1 . 2]"
1 37 THR 1.276 0.358 12 0 "[ . 1 . 2]"
1 38 LYS 2.822 0.387 18 0 "[ . 1 . 2]"
1 41 GLU 1.276 0.358 12 0 "[ . 1 . 2]"
1 42 GLU 2.822 0.387 18 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 5.951 0.372 19 0 "[ . 1 . 2]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLU 5.951 0.372 19 0 "[ . 1 . 2]"
1 55 GLY 3.314 0.288 19 0 "[ . 1 . 2]"
1 58 ALA 3.556 0.364 13 0 "[ . 1 . 2]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 2.987 0.356 15 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 2.987 0.356 15 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 0.511 0.142 12 0 "[ . 1 . 2]"
1 82 GLU 0.130 0.110 5 0 "[ . 1 . 2]"
1 84 HIS 0.023 0.023 7 0 "[ . 1 . 2]"
1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LYS 0.000 0.000 . 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 25 THR O 1 36 LEU H . . 2.500 2.638 2.352 2.785 0.285 20 0 "[ . 1 . 2]" 3
2 1 25 THR O 1 36 LEU N . . 3.500 3.297 3.098 3.458 . 0 0 "[ . 1 . 2]" 3
3 1 27 VAL O 1 34 TYR H . . 2.500 1.985 1.921 2.069 . 0 0 "[ . 1 . 2]" 3
4 1 27 VAL O 1 34 TYR N . . 3.500 2.881 2.834 2.939 . 0 0 "[ . 1 . 2]" 3
5 1 27 VAL H 1 34 TYR O . . 2.500 2.322 2.159 2.558 0.058 5 0 "[ . 1 . 2]" 3
6 1 27 VAL N 1 34 TYR O . . 3.500 3.257 3.093 3.452 . 0 0 "[ . 1 . 2]" 3
7 1 29 LEU H 1 32 LYS O . . 2.500 2.557 2.332 2.651 0.151 9 0 "[ . 1 . 2]" 3
8 1 29 LEU N 1 32 LYS O . . 3.500 3.439 3.230 3.526 0.026 5 0 "[ . 1 . 2]" 3
9 1 33 VAL O 1 81 GLY H . . 2.500 2.456 2.227 2.642 0.142 12 0 "[ . 1 . 2]" 3
10 1 33 VAL O 1 81 GLY N . . 3.500 3.412 3.189 3.609 0.109 12 0 "[ . 1 . 2]" 3
11 1 35 ASP H 1 78 TYR O . . 2.500 1.919 1.863 1.977 . 0 0 "[ . 1 . 2]" 3
12 1 35 ASP N 1 78 TYR O . . 3.500 2.852 2.797 2.948 . 0 0 "[ . 1 . 2]" 3
13 1 9 LYS O 1 82 GLU H . . 2.200 2.122 2.021 2.310 0.110 5 0 "[ . 1 . 2]" 3
14 1 11 TYR O 1 84 HIS H . . 2.200 2.057 1.956 2.223 0.023 7 0 "[ . 1 . 2]" 3
15 1 11 TYR H 1 82 GLU O . . 2.200 1.993 1.928 2.079 . 0 0 "[ . 1 . 2]" 3
16 1 28 ILE O 1 58 ALA H . . 2.500 2.668 2.380 2.864 0.364 13 0 "[ . 1 . 2]" 3
17 1 26 TRP O 1 55 GLY H . . 2.200 2.365 2.189 2.488 0.288 19 0 "[ . 1 . 2]" 3
18 1 13 LEU O 1 17 GLN N . . 3.500 2.933 2.741 3.254 . 0 0 "[ . 1 . 2]" 3
19 1 13 LEU O 1 17 GLN H . . 2.500 2.152 2.011 2.640 0.140 2 0 "[ . 1 . 2]" 3
20 1 38 LYS O 1 42 GLU H . . 2.500 2.565 2.072 2.887 0.387 18 0 "[ . 1 . 2]" 3
21 1 38 LYS O 1 42 GLU N . . 3.500 3.154 2.840 3.536 0.036 18 0 "[ . 1 . 2]" 3
22 1 37 THR O 1 41 GLU H . . 3.360 3.146 2.465 3.718 0.358 12 0 "[ . 1 . 2]" 3
23 1 37 THR O 1 41 GLU N . . 4.350 4.001 3.435 4.530 0.180 12 0 "[ . 1 . 2]" 3
24 1 47 GLU O 1 51 ARG H . . 2.500 1.956 1.878 2.033 . 0 0 "[ . 1 . 2]" 3
25 1 47 GLU O 1 51 ARG N . . 3.500 2.767 2.689 2.821 . 0 0 "[ . 1 . 2]" 3
26 1 48 GLU O 1 52 GLU H . . 2.500 2.648 2.330 2.872 0.372 19 0 "[ . 1 . 2]" 3
27 1 48 GLU O 1 52 GLU N . . 3.500 3.589 3.269 3.837 0.337 19 0 "[ . 1 . 2]" 3
28 1 61 ASN O 1 65 VAL H . . 2.500 2.146 2.041 2.422 . 0 0 "[ . 1 . 2]" 3
29 1 61 ASN O 1 65 VAL N . . 3.500 3.110 3.011 3.383 . 0 0 "[ . 1 . 2]" 3
30 1 71 ALA O 1 75 SER H . . 2.500 2.097 1.972 2.431 . 0 0 "[ . 1 . 2]" 3
31 1 71 ALA O 1 75 SER N . . 3.500 3.020 2.901 3.261 . 0 0 "[ . 1 . 2]" 3
32 1 70 ASP O 1 74 LEU H . . 2.500 2.505 2.073 2.856 0.356 15 0 "[ . 1 . 2]" 3
33 1 70 ASP O 1 74 LEU N . . 3.500 3.452 3.053 3.793 0.293 15 0 "[ . 1 . 2]" 3
34 1 86 ASP O 1 90 LYS H . . 2.500 2.053 1.954 2.181 . 0 0 "[ . 1 . 2]" 3
35 1 86 ASP O 1 90 LYS N . . 3.500 2.846 2.717 2.945 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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