NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485441 |
2k43   |
15783 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k43
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 939
_Distance_constraint_stats_list.Viol_count 2992
_Distance_constraint_stats_list.Viol_total 11786.664
_Distance_constraint_stats_list.Viol_max 2.468
_Distance_constraint_stats_list.Viol_rms 0.1372
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0314
_Distance_constraint_stats_list.Viol_average_violations_only 0.1970
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 TYR 1.553 0.302 11 0 "[ . 1 . 2]"
1 2 LYS 0.121 0.035 17 0 "[ . 1 . 2]"
1 3 LYS 6.685 0.901 3 4 "[ + * 1 *- 2]"
1 4 PRO 7.215 0.842 2 7 "[*+ * 1***-. 2]"
1 5 LYS 1.411 0.119 8 0 "[ . 1 . 2]"
1 6 LEU 0.733 0.126 20 0 "[ . 1 . 2]"
1 7 LEU 8.335 2.017 10 4 "[* . -+ . * 2]"
1 8 TYR 5.252 2.466 17 1 "[ . 1 . + 2]"
1 9 CYS 0.393 0.112 14 0 "[ . 1 . 2]"
1 10 SER 21.876 2.081 8 10 "[* . *+*1* ***-* 2]"
1 11 ASN 0.301 0.164 11 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 4.049 2.466 17 1 "[ . 1 . + 2]"
1 14 HIS 7.544 0.695 15 1 "[ . 1 + 2]"
1 15 PHE 4.440 0.559 8 3 "[ - * + 1 . 2]"
1 16 LEU 6.415 0.505 9 1 "[ . +1 . 2]"
1 17 ARG 6.837 0.275 10 0 "[ . 1 . 2]"
1 18 ILE 6.519 0.214 3 0 "[ . 1 . 2]"
1 19 LEU 5.961 0.925 4 3 "[ +. * 1 . -]"
1 20 PRO 3.542 0.276 12 0 "[ . 1 . 2]"
1 21 ASP 9.016 0.925 4 3 "[ +. * 1 . -]"
1 22 GLY 0.150 0.067 3 0 "[ . 1 . 2]"
1 23 THR 17.550 0.920 6 1 "[ .+ 1 . 2]"
1 24 VAL 18.989 1.661 3 9 "[ -+*. *1 * * * **]"
1 25 ASP 15.434 0.913 17 8 "[ ***. *1 * . + -*]"
1 26 GLY 0.520 0.271 11 0 "[ . 1 . 2]"
1 27 THR 13.185 0.446 13 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 19.370 0.949 20 10 "[ **.*- 1 * ** **+]"
1 30 ARG 0.148 0.115 20 0 "[ . 1 . 2]"
1 31 SER 4.420 0.778 2 3 "[ + . -* . 2]"
1 32 ASP 4.614 0.778 2 2 "[ + . - . 2]"
1 33 GLN 0.750 0.092 14 0 "[ . 1 . 2]"
1 34 HIS 1.715 0.149 11 0 "[ . 1 . 2]"
1 35 ILE 11.036 0.949 20 8 "[ ***.* 1** - +]"
1 36 GLN 14.730 0.842 2 8 "[*+ * 1****- 2]"
1 37 LEU 7.931 0.582 20 3 "[ . 1 . -*+]"
1 38 GLN 9.244 0.834 9 6 "[* . +1 * . -**]"
1 39 LEU 0.831 0.154 13 0 "[ . 1 . 2]"
1 40 SER 1.780 0.583 20 2 "[ . - 1 . +]"
1 41 ALA 1.468 0.768 16 1 "[ . 1 .+ 2]"
1 42 GLU 4.101 1.369 16 1 "[ . 1 .+ 2]"
1 43 SER 19.514 1.369 16 2 "[ . 1 .+- 2]"
1 44 VAL 3.399 0.900 16 2 "[ . 1 .+- 2]"
1 45 GLY 3.870 0.466 16 0 "[ . 1 . 2]"
1 46 GLU 22.014 0.828 3 5 "[ + * ** .* 2]"
1 47 VAL 9.966 0.828 3 5 "[ + * ** .- 2]"
1 48 TYR 8.131 0.768 16 1 "[ . 1 .+ 2]"
1 49 ILE 4.480 0.289 18 0 "[ . 1 . 2]"
1 50 LYS 2.981 0.583 20 2 "[ . - 1 . +]"
1 51 SER 9.916 0.355 5 0 "[ . 1 . 2]"
1 52 THR 8.260 0.834 9 3 "[- . +1 * . 2]"
1 53 GLU 6.041 0.308 3 0 "[ . 1 . 2]"
1 54 THR 2.222 0.279 1 0 "[ . 1 . 2]"
1 55 GLY 2.633 0.179 19 0 "[ . 1 . 2]"
1 56 GLN 7.144 0.622 7 1 "[ . + 1 . 2]"
1 57 TYR 0.282 0.082 5 0 "[ . 1 . 2]"
1 58 LEU 11.692 1.081 18 5 "[ * * 1- * . + 2]"
1 59 ALA 10.482 1.081 18 4 "[ - * 1 . *+ 2]"
1 60 MET 6.102 0.405 12 0 "[ . 1 . 2]"
1 61 ASP 23.210 1.362 2 20 [*+**************-***]
1 62 THR 34.011 1.362 2 20 [*+**************-***]
1 63 ASP 12.645 1.645 18 2 "[ . 1 - . + 2]"
1 64 GLY 4.173 0.324 2 0 "[ . 1 . 2]"
1 65 LEU 2.971 0.757 18 1 "[ . 1 . + 2]"
1 66 LEU 10.473 0.882 6 2 "[ - .+ 1 . 2]"
1 67 TYR 8.278 0.669 6 3 "[ * .+- 1 . 2]"
1 68 GLY 2.307 0.653 13 2 "[ . 1- + . 2]"
1 69 SER 38.047 1.661 3 20 [**+***********-*****]
1 70 GLN 28.579 1.043 18 20 [*****************+**]
1 71 THR 13.777 0.731 8 6 "[ . + * * *. -*2]"
1 72 PRO 0.086 0.046 5 0 "[ . 1 . 2]"
1 73 ASN 38.022 2.187 5 14 "[ *-*+ *** ** .*****]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 26.262 0.783 8 14 "[ * *.* +***** .**-**]"
1 76 CYS 59.647 2.187 5 15 "[ ***+ -*** ** .*****]"
1 77 LEU 9.401 0.362 8 0 "[ . 1 . 2]"
1 78 PHE 7.085 0.362 8 0 "[ . 1 . 2]"
1 79 LEU 1.845 0.233 13 0 "[ . 1 . 2]"
1 80 GLU 0.909 0.172 20 0 "[ . 1 . 2]"
1 81 ARG 2.792 0.206 6 0 "[ . 1 . 2]"
1 82 LEU 5.751 0.231 11 0 "[ . 1 . 2]"
1 83 GLU 1.389 0.334 19 0 "[ . 1 . 2]"
1 84 GLU 0.015 0.015 18 0 "[ . 1 . 2]"
1 85 ASN 4.161 0.371 1 0 "[ . 1 . 2]"
1 86 HIS 6.123 0.371 1 0 "[ . 1 . 2]"
1 87 TYR 0.352 0.064 2 0 "[ . 1 . 2]"
1 88 ASN 11.515 0.831 12 5 "[ .- ** + * 2]"
1 89 THR 14.435 0.831 12 5 "[ .- ** + * 2]"
1 90 TYR 1.009 0.150 14 0 "[ . 1 . 2]"
1 91 ILE 44.449 2.468 2 18 "[*+*** ****** *****-*]"
1 92 SER 4.157 0.870 19 2 "[- . 1 . +2]"
1 93 LYS 2.192 0.900 9 1 "[ . +1 . 2]"
1 94 LYS 9.178 0.900 9 1 "[ . +1 . 2]"
1 95 HIS 11.947 0.709 20 1 "[ . 1 . +]"
1 96 ALA 38.962 2.468 2 17 "[*+*** *****- ** ****]"
1 97 GLU 2.564 0.614 17 1 "[ . 1 . + 2]"
1 98 LYS 9.812 0.790 12 6 "[ .* * + *-* 2]"
1 99 ASN 4.014 0.790 12 5 "[ .* * + *- 2]"
1 100 TRP 16.231 1.645 18 4 "[- . 1 * . +*2]"
1 101 PHE 5.401 0.289 13 0 "[ . 1 . 2]"
1 102 VAL 0.305 0.179 8 0 "[ . 1 . 2]"
1 103 GLY 5.424 0.395 7 0 "[ . 1 . 2]"
1 104 LEU 7.032 0.465 10 0 "[ . 1 . 2]"
1 105 LYS 17.610 2.429 6 4 "[ * .+ 1- * . 2]"
1 106 LYS 8.863 0.695 15 4 "[ - * * 1 + 2]"
1 107 ASN 20.095 2.081 8 10 "[* . *+*1* ***-* 2]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 SER 0.194 0.077 1 0 "[ . 1 . 2]"
1 110 CYS 5.917 2.017 10 2 "[- . + . 2]"
1 111 LYS 4.673 0.465 10 0 "[ . 1 . 2]"
1 112 ARG 18.373 2.429 6 4 "[ * .+ 1* * . 2]"
1 113 GLY 4.272 0.757 18 1 "[ . 1 . + 2]"
1 114 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ARG 3.844 0.189 8 0 "[ . 1 . 2]"
1 116 THR 7.902 0.443 9 0 "[ . 1 . 2]"
1 117 HIS 4.471 0.430 5 0 "[ . 1 . 2]"
1 118 TYR 4.084 0.309 5 0 "[ . 1 . 2]"
1 119 GLY 5.234 0.189 8 0 "[ . 1 . 2]"
1 120 GLN 3.916 0.190 9 0 "[ . 1 . 2]"
1 121 LYS 3.772 0.354 4 0 "[ . 1 . 2]"
1 122 ALA 0.301 0.164 11 0 "[ . 1 . 2]"
1 123 ILE 2.085 0.289 13 0 "[ . 1 . 2]"
1 124 LEU 3.468 0.253 17 0 "[ . 1 . 2]"
1 125 PHE 4.039 0.230 5 0 "[ . 1 . 2]"
1 126 LEU 5.888 1.272 17 1 "[ . 1 . + 2]"
1 127 PRO 0.988 0.246 17 0 "[ . 1 . 2]"
1 128 LEU 0.807 0.216 18 0 "[ . 1 . 2]"
1 129 PRO 0.859 0.090 19 0 "[ . 1 . 2]"
1 130 VAL 11.064 0.901 3 4 "[ + * 1 *- 2]"
1 131 SER 3.342 0.325 17 0 "[ . 1 . 2]"
1 132 SER 1.264 0.302 11 0 "[ . 1 . 2]"
1 133 ASP 1.392 0.340 8 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 7 LEU H 1 7 LEU QD . . 5.070 3.734 3.633 3.861 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS H 1 132 SER H 3.300 . 6.000 4.805 2.973 6.035 0.035 17 0 "[ . 1 . 2]" 1
3 1 3 LYS H 1 3 LYS HA 2.300 . 3.000 2.853 2.807 2.884 . 0 0 "[ . 1 . 2]" 1
4 1 1 TYR QB 1 2 LYS H 3.800 . 5.600 3.172 1.966 4.046 0.034 17 0 "[ . 1 . 2]" 1
5 1 5 LYS H 1 130 VAL H 3.700 . 5.500 5.141 4.572 5.548 0.048 1 0 "[ . 1 . 2]" 1
6 1 3 LYS HA 1 5 LYS H 1.900 . 6.000 5.960 5.322 6.119 0.119 8 0 "[ . 1 . 2]" 1
7 1 6 LEU H 1 128 LEU H 3.000 . 3.500 2.922 2.425 3.464 . 0 0 "[ . 1 . 2]" 1
8 1 50 LYS H 1 51 SER H . . 5.000 4.444 4.409 4.488 . 0 0 "[ . 1 . 2]" 1
9 1 6 LEU H 1 6 LEU QD . . 3.760 3.524 2.651 3.836 0.076 16 0 "[ . 1 . 2]" 1
10 1 8 TYR H 1 126 LEU H 4.600 . 5.000 3.836 3.574 4.545 . 0 0 "[ . 1 . 2]" 1
11 1 15 PHE HA 1 16 LEU H . . 2.600 2.249 2.145 2.305 . 0 0 "[ . 1 . 2]" 1
12 1 8 TYR H 1 125 PHE QB 4.200 . 6.000 5.036 3.743 5.810 . 0 0 "[ . 1 . 2]" 1
13 1 16 LEU H 1 16 LEU HB3 2.700 . 3.600 2.384 1.984 3.204 . 0 0 "[ . 1 . 2]" 1
14 1 16 LEU H 1 17 ARG QB 2.700 . 6.000 5.149 4.823 5.806 . 0 0 "[ . 1 . 2]" 1
15 1 6 LEU QD 1 9 CYS H 5.400 . 6.000 4.968 3.905 5.845 . 0 0 "[ . 1 . 2]" 1
16 1 9 CYS H 1 125 PHE QB 4.200 . 6.000 5.222 3.126 5.816 . 0 0 "[ . 1 . 2]" 1
17 1 9 CYS H 1 14 HIS H 3.600 . 6.000 5.734 4.941 6.112 0.112 14 0 "[ . 1 . 2]" 1
18 1 10 SER H 1 126 LEU H 4.600 . 6.000 5.246 4.910 5.871 . 0 0 "[ . 1 . 2]" 1
19 1 10 SER H 1 107 ASN H 3.000 . 6.000 5.501 4.713 6.223 0.223 8 0 "[ . 1 . 2]" 1
20 1 10 SER H 1 107 ASN HA 5.000 . 6.000 6.955 6.060 8.081 2.081 8 10 "[* . *+*1* ***-* 2]" 1
21 1 10 SER H 1 107 ASN QB 5.600 . 6.000 5.383 4.437 5.900 . 0 0 "[ . 1 . 2]" 1
22 1 13 GLY H 1 106 LYS QE 2.600 . 3.400 3.223 2.834 3.507 0.107 14 0 "[ . 1 . 2]" 1
23 1 14 HIS H 1 107 ASN H 3.200 . 6.000 5.525 4.058 6.014 0.014 19 0 "[ . 1 . 2]" 1
24 1 13 GLY H 1 14 HIS H 2.800 . 3.500 3.051 2.536 3.923 0.423 11 0 "[ . 1 . 2]" 1
25 1 14 HIS H 1 107 ASN HA 3.300 . 4.600 3.985 1.937 4.669 0.069 19 0 "[ . 1 . 2]" 1
26 1 14 HIS H 1 106 LYS QE 3.100 . 4.300 1.877 1.205 3.219 0.695 15 1 "[ . 1 + 2]" 1
27 1 15 PHE H 1 27 THR HB 3.300 . 4.700 4.545 4.247 4.769 0.069 6 0 "[ . 1 . 2]" 1
28 1 15 PHE H 1 17 ARG QD 3.900 . 6.000 5.418 4.471 5.868 . 0 0 "[ . 1 . 2]" 1
29 1 15 PHE H 1 106 LYS HG3 4.600 . 6.000 5.325 4.156 6.559 0.559 8 3 "[ - * + 1 . 2]" 1
30 1 15 PHE H 1 17 ARG QB 4.400 . 6.000 5.274 4.758 5.847 . 0 0 "[ . 1 . 2]" 1
31 1 16 LEU H 1 25 ASP HA 6.000 . 6.000 6.262 6.120 6.409 0.409 19 0 "[ . 1 . 2]" 1
32 1 17 ARG H 1 25 ASP H 3.400 . 4.800 2.713 2.488 3.021 . 0 0 "[ . 1 . 2]" 1
33 1 16 LEU H 1 17 ARG H . . 5.000 4.436 4.294 4.513 . 0 0 "[ . 1 . 2]" 1
34 1 17 ARG H 1 18 ILE H 4.200 . 5.000 4.411 4.298 4.478 . 0 0 "[ . 1 . 2]" 1
35 1 15 PHE HA 1 17 ARG H 4.900 . 6.000 5.934 5.673 6.076 0.076 10 0 "[ . 1 . 2]" 1
36 1 17 ARG H 1 17 ARG HA 2.600 . 3.400 2.944 2.905 2.970 . 0 0 "[ . 1 . 2]" 1
37 1 17 ARG H 1 23 THR HB 2.700 . 6.000 6.169 6.081 6.275 0.275 10 0 "[ . 1 . 2]" 1
38 1 17 ARG H 1 17 ARG QD 4.700 . 6.000 4.045 1.984 4.944 . 0 0 "[ . 1 . 2]" 1
39 1 17 ARG H 1 106 LYS HB2 5.900 . 6.000 6.053 5.827 6.170 0.170 17 0 "[ . 1 . 2]" 1
40 1 17 ARG H 1 37 LEU MD2 2.900 . 6.000 5.725 5.206 6.081 0.081 9 0 "[ . 1 . 2]" 1
41 1 18 ILE H 1 54 THR HA 2.700 . 6.000 6.013 5.544 6.179 0.179 11 0 "[ . 1 . 2]" 1
42 1 18 ILE H 1 19 LEU H 5.000 . 5.000 4.461 4.363 4.534 . 0 0 "[ . 1 . 2]" 1
43 1 18 ILE H 1 34 HIS H 6.000 . 6.000 5.945 5.338 6.080 0.080 7 0 "[ . 1 . 2]" 1
44 1 18 ILE HB 1 21 ASP H 5.200 . 6.000 6.055 6.012 6.135 0.135 7 0 "[ . 1 . 2]" 1
45 1 21 ASP H 1 22 GLY HA2 4.700 . 6.000 4.637 4.404 4.777 . 0 0 "[ . 1 . 2]" 1
46 1 21 ASP H 1 23 THR H 3.600 . 5.000 3.705 3.405 4.048 . 0 0 "[ . 1 . 2]" 1
47 1 21 ASP H 1 22 GLY H 2.400 . 3.100 2.260 2.072 2.447 . 0 0 "[ . 1 . 2]" 1
48 1 19 LEU H 1 21 ASP H 5.000 . 6.000 4.319 3.895 4.628 . 0 0 "[ . 1 . 2]" 1
49 1 22 GLY H 1 23 THR HA 3.500 . 5.000 4.838 4.592 5.009 0.009 20 0 "[ . 1 . 2]" 1
50 1 22 GLY H 1 23 THR H 2.600 . 2.600 2.217 1.940 2.440 . 0 0 "[ . 1 . 2]" 1
51 1 19 LEU H 1 23 THR H 3.000 . 4.100 3.055 2.705 3.484 . 0 0 "[ . 1 . 2]" 1
52 1 24 VAL H 1 69 SER HA 3.000 . 6.000 6.291 6.035 7.661 1.661 3 2 "[ + . 1 - 2]" 1
53 1 24 VAL H 1 68 GLY HA3 3.700 . 6.000 5.081 4.055 5.894 . 0 0 "[ . 1 . 2]" 1
54 1 23 THR HB 1 25 ASP H 3.000 . 4.100 3.805 3.488 4.083 . 0 0 "[ . 1 . 2]" 1
55 1 23 THR HA 1 25 ASP H 1.900 . 6.000 5.293 5.075 5.410 . 0 0 "[ . 1 . 2]" 1
56 1 26 GLY H 1 110 CYS H 4.900 . 6.000 4.878 4.385 5.770 . 0 0 "[ . 1 . 2]" 1
57 1 25 ASP H 1 26 GLY H 5.200 . 6.000 4.484 4.424 4.526 . 0 0 "[ . 1 . 2]" 1
58 1 15 PHE H 1 26 GLY H 6.000 . 6.000 5.517 4.973 6.271 0.271 11 0 "[ . 1 . 2]" 1
59 1 7 LEU QD 1 26 GLY H 3.500 . 5.000 4.830 3.889 5.171 0.171 10 0 "[ . 1 . 2]" 1
60 1 17 ARG QB 1 27 THR H 2.700 . 6.000 3.813 3.425 4.506 . 0 0 "[ . 1 . 2]" 1
61 1 14 HIS HB2 1 27 THR H 3.500 . 5.000 4.837 2.918 5.329 0.329 12 0 "[ . 1 . 2]" 1
62 1 17 ARG QD 1 27 THR H 5.000 . 6.000 3.858 2.847 4.674 . 0 0 "[ . 1 . 2]" 1
63 1 27 THR H 1 27 THR HB 2.900 . 3.900 2.730 2.668 2.877 . 0 0 "[ . 1 . 2]" 1
64 1 15 PHE HA 1 27 THR H 2.900 . 6.000 4.286 3.897 4.524 . 0 0 "[ . 1 . 2]" 1
65 1 15 PHE H 1 27 THR H 2.500 . 3.300 2.217 1.783 2.665 0.017 17 0 "[ . 1 . 2]" 1
66 1 27 THR H 1 28 ARG H 4.600 . 6.000 4.302 4.245 4.337 . 0 0 "[ . 1 . 2]" 1
67 1 29 ASP H 1 30 ARG QB 4.300 . 6.000 4.852 4.314 5.821 . 0 0 "[ . 1 . 2]" 1
68 1 28 ARG HB3 1 29 ASP H 4.200 . 6.000 4.192 3.778 4.398 . 0 0 "[ . 1 . 2]" 1
69 1 28 ARG HA 1 29 ASP H 2.100 . 2.700 2.020 1.922 2.120 . 0 0 "[ . 1 . 2]" 1
70 1 28 ARG H 1 29 ASP H 3.200 . 4.500 4.111 4.027 4.241 . 0 0 "[ . 1 . 2]" 1
71 1 31 SER H 1 32 ASP HA 3.500 . 5.000 4.879 4.612 5.042 0.042 9 0 "[ . 1 . 2]" 1
72 1 32 ASP H 1 33 GLN QB 4.300 . 6.000 5.805 5.658 5.898 . 0 0 "[ . 1 . 2]" 1
73 1 94 LYS HB3 1 96 ALA H 1.700 . 6.000 4.643 4.012 5.501 . 0 0 "[ . 1 . 2]" 1
74 1 30 ARG QD 1 32 ASP H 2.700 . 6.000 5.068 4.572 5.701 . 0 0 "[ . 1 . 2]" 1
75 1 31 SER H 1 32 ASP H 2.400 . 2.600 2.382 1.857 2.670 0.070 9 0 "[ . 1 . 2]" 1
76 1 96 ALA H 1 97 GLU H 3.100 . 4.300 2.857 2.526 3.926 . 0 0 "[ . 1 . 2]" 1
77 1 33 GLN H 1 34 HIS H 2.800 . 3.800 3.112 2.325 3.701 . 0 0 "[ . 1 . 2]" 1
78 1 32 ASP H 1 33 GLN H 4.500 . 6.000 4.320 4.263 4.426 . 0 0 "[ . 1 . 2]" 1
79 1 33 GLN H 1 35 ILE H 4.000 . 6.000 4.895 4.014 5.507 . 0 0 "[ . 1 . 2]" 1
80 1 17 ARG HA 1 34 HIS H 3.900 . 5.800 5.685 5.180 5.939 0.139 13 0 "[ . 1 . 2]" 1
81 1 32 ASP H 1 34 HIS H 3.700 . 5.400 4.232 3.536 4.760 . 0 0 "[ . 1 . 2]" 1
82 1 35 ILE H 1 36 GLN HE21 2.700 . 3.600 3.683 2.906 4.257 0.657 2 4 "[ + . 1** - 2]" 1
83 1 34 HIS H 1 35 ILE H 2.400 . 3.100 1.952 1.670 2.405 0.130 13 0 "[ . 1 . 2]" 1
84 1 17 ARG HA 1 35 ILE H 2.700 . 6.000 4.755 4.451 5.164 . 0 0 "[ . 1 . 2]" 1
85 1 29 ASP HB3 1 35 ILE H 3.200 . 6.000 5.799 4.783 6.949 0.949 20 4 "[ -*.* 1 . +]" 1
86 1 30 ARG QB 1 35 ILE H 6.000 . 6.000 5.725 5.437 5.961 . 0 0 "[ . 1 . 2]" 1
87 1 6 LEU QD 1 35 ILE H 2.700 . 6.000 5.191 4.486 6.037 0.037 20 0 "[ . 1 . 2]" 1
88 1 4 PRO HB3 1 36 GLN H 3.600 . 5.200 5.543 4.966 6.042 0.842 2 7 "[*+ * 1***-. 2]" 1
89 1 6 LEU HA 1 36 GLN H 2.900 . 6.000 5.797 5.343 6.126 0.126 20 0 "[ . 1 . 2]" 1
90 1 36 GLN H 1 55 GLY HA3 5.200 . 6.000 4.461 3.931 5.010 . 0 0 "[ . 1 . 2]" 1
91 1 34 HIS HB3 1 36 GLN H 5.300 . 6.000 5.193 4.777 5.581 . 0 0 "[ . 1 . 2]" 1
92 1 36 GLN H 1 54 THR HA 2.900 . 6.000 6.011 5.771 6.118 0.118 2 0 "[ . 1 . 2]" 1
93 1 35 ILE H 1 36 GLN H 2.600 . 3.500 2.933 2.679 3.223 . 0 0 "[ . 1 . 2]" 1
94 1 34 HIS H 1 36 GLN H 4.100 . 6.000 4.216 3.684 4.927 . 0 0 "[ . 1 . 2]" 1
95 1 36 GLN H 1 37 LEU H 3.800 . 5.700 4.114 3.975 4.217 . 0 0 "[ . 1 . 2]" 1
96 1 5 LYS H 1 37 LEU H 3.000 . 4.100 3.619 3.018 4.125 0.025 2 0 "[ . 1 . 2]" 1
97 1 37 LEU H 1 38 GLN H 6.000 . 6.000 4.444 4.382 4.508 . 0 0 "[ . 1 . 2]" 1
98 1 37 LEU H 1 55 GLY HA3 2.800 . 6.000 4.123 3.859 4.530 . 0 0 "[ . 1 . 2]" 1
99 1 4 PRO HB3 1 37 LEU H 4.900 . 6.000 3.861 3.278 4.671 . 0 0 "[ . 1 . 2]" 1
100 1 37 LEU H 1 38 GLN QB 2.800 . 6.000 5.502 5.264 5.654 . 0 0 "[ . 1 . 2]" 1
101 1 38 GLN H 1 50 LYS H 3.300 . 3.500 3.297 3.182 3.361 . 0 0 "[ . 1 . 2]" 1
102 1 39 LEU H 1 129 PRO HB3 4.300 . 6.000 5.862 5.070 6.048 0.048 15 0 "[ . 1 . 2]" 1
103 1 40 SER H 1 48 TYR H 2.700 . 3.500 3.242 3.001 3.345 . 0 0 "[ . 1 . 2]" 1
104 1 40 SER H 1 50 LYS HD2 6.000 . 6.000 5.328 3.799 6.583 0.583 20 2 "[ . - 1 . +]" 1
105 1 39 LEU QD 1 40 SER H 3.200 . 4.500 2.908 2.476 3.552 . 0 0 "[ . 1 . 2]" 1
106 1 80 GLU H 1 93 LYS QG 3.000 . 6.000 5.698 4.795 5.911 . 0 0 "[ . 1 . 2]" 1
107 1 6 LEU QD 1 30 ARG H 3.100 . 6.000 5.710 5.114 5.964 . 0 0 "[ . 1 . 2]" 1
108 1 82 LEU H 1 82 LEU HA 2.800 . 3.800 2.913 2.891 2.927 . 0 0 "[ . 1 . 2]" 1
109 1 82 LEU H 1 89 THR HB 3.400 . 4.900 5.039 4.918 5.131 0.231 11 0 "[ . 1 . 2]" 1
110 1 82 LEU H 1 83 GLU H 4.500 . 5.000 4.341 4.195 4.460 . 0 0 "[ . 1 . 2]" 1
111 1 6 LEU QD 1 8 TYR H 3.300 . 4.700 2.923 2.154 4.557 . 0 0 "[ . 1 . 2]" 1
112 1 42 GLU H 1 43 SER H 2.300 . 2.600 2.324 2.054 3.969 1.369 16 1 "[ . 1 .+ 2]" 1
113 1 44 VAL H 1 45 GLY H 3.900 . 5.000 4.398 4.187 4.430 . 0 0 "[ . 1 . 2]" 1
114 1 43 SER HB2 1 44 VAL H 2.600 . 3.400 3.470 3.196 3.926 0.526 17 1 "[ . 1 . + 2]" 1
115 1 45 GLY H 1 80 GLU QB 4.100 . 6.000 5.145 4.252 5.741 . 0 0 "[ . 1 . 2]" 1
116 1 45 GLY H 1 46 GLU H 2.500 . 3.300 2.784 2.573 3.159 . 0 0 "[ . 1 . 2]" 1
117 1 46 GLU H 1 47 VAL H 4.000 . 5.000 4.466 4.275 4.517 . 0 0 "[ . 1 . 2]" 1
118 1 46 GLU H 1 93 LYS QE 5.500 . 6.000 5.276 3.899 5.812 . 0 0 "[ . 1 . 2]" 1
119 1 47 VAL H 1 80 GLU QB 3.400 . 4.800 3.787 3.303 4.167 . 0 0 "[ . 1 . 2]" 1
120 1 48 TYR H 1 49 ILE H 4.200 . 6.000 4.276 4.221 4.439 . 0 0 "[ . 1 . 2]" 1
121 1 47 VAL H 1 48 TYR H 4.400 . 5.000 4.440 4.405 4.487 . 0 0 "[ . 1 . 2]" 1
122 1 39 LEU QD 1 48 TYR H 2.800 . 3.800 3.214 2.529 3.797 . 0 0 "[ . 1 . 2]" 1
123 1 42 GLU H 1 46 GLU HA 3.900 . 5.800 5.650 5.174 6.065 0.265 16 0 "[ . 1 . 2]" 1
124 1 39 LEU QD 1 50 LYS H 3.000 . 4.200 3.909 2.677 4.262 0.062 16 0 "[ . 1 . 2]" 1
125 1 97 GLU H 1 99 ASN H 4.000 . 5.000 4.135 3.877 4.590 . 0 0 "[ . 1 . 2]" 1
126 1 38 GLN H 1 52 THR H 3.900 . 5.800 3.341 3.068 3.587 . 0 0 "[ . 1 . 2]" 1
127 1 38 GLN HG2 1 52 THR H 2.700 . 6.000 5.885 3.885 6.834 0.834 9 3 "[- . +1 * . 2]" 1
128 1 38 GLN QB 1 52 THR H 2.400 . 6.000 3.738 3.495 4.318 . 0 0 "[ . 1 . 2]" 1
129 1 37 LEU HB3 1 52 THR H 3.200 . 4.500 4.595 4.438 4.970 0.470 20 0 "[ . 1 . 2]" 1
130 1 36 GLN HG3 1 53 GLU H 2.900 . 3.900 3.067 2.352 3.794 . 0 0 "[ . 1 . 2]" 1
131 1 38 GLN QB 1 53 GLU H 2.100 . 6.000 5.790 5.378 5.920 . 0 0 "[ . 1 . 2]" 1
132 1 52 THR HB 1 53 GLU H 2.200 . 2.800 1.709 1.568 2.196 0.032 14 0 "[ . 1 . 2]" 1
133 1 36 GLN H 1 53 GLU H 4.500 . 6.000 5.860 5.445 6.079 0.079 18 0 "[ . 1 . 2]" 1
134 1 53 GLU H 1 54 THR H 2.600 . 3.400 2.277 2.167 2.420 . 0 0 "[ . 1 . 2]" 1
135 1 54 THR H 1 54 THR HA 2.400 . 3.100 2.936 2.927 2.944 . 0 0 "[ . 1 . 2]" 1
136 1 52 THR HB 1 54 THR H 3.700 . 5.400 3.352 2.988 4.525 . 0 0 "[ . 1 . 2]" 1
137 1 54 THR H 1 54 THR HB 3.600 . 5.200 3.373 2.781 3.748 . 0 0 "[ . 1 . 2]" 1
138 1 36 GLN HG3 1 54 THR H 3.000 . 4.100 3.310 2.359 4.379 0.279 1 0 "[ . 1 . 2]" 1
139 1 37 LEU HB3 1 55 GLY H 4.200 . 6.000 5.038 4.685 5.480 . 0 0 "[ . 1 . 2]" 1
140 1 52 THR H 1 55 GLY H 3.400 . 4.900 2.688 2.283 2.961 . 0 0 "[ . 1 . 2]" 1
141 1 51 SER HA 1 56 GLN H 2.900 . 4.000 2.320 2.128 2.753 . 0 0 "[ . 1 . 2]" 1
142 1 51 SER H 1 56 GLN H . . 3.500 3.714 3.592 3.855 0.355 5 0 "[ . 1 . 2]" 1
143 1 57 TYR H 1 72 PRO HA 2.900 . 6.000 5.712 5.160 6.046 0.046 5 0 "[ . 1 . 2]" 1
144 1 57 TYR H 1 68 GLY HA3 3.400 . 4.800 3.311 2.660 4.092 . 0 0 "[ . 1 . 2]" 1
145 1 56 GLN HE22 1 57 TYR H 2.600 . 6.000 4.028 3.273 5.253 . 0 0 "[ . 1 . 2]" 1
146 1 58 LEU H 1 68 GLY HA3 2.800 . 3.800 3.898 3.605 4.453 0.653 13 2 "[ . 1- + . 2]" 1
147 1 58 LEU H 1 58 LEU MD1 3.300 . 4.700 3.989 3.338 4.224 . 0 0 "[ . 1 . 2]" 1
148 1 59 ALA H 1 67 TYR HA 3.400 . 4.800 4.651 4.302 4.859 0.059 15 0 "[ . 1 . 2]" 1
149 1 59 ALA H 1 68 GLY HA3 5.500 . 6.000 3.253 2.521 4.481 . 0 0 "[ . 1 . 2]" 1
150 1 56 GLN HE22 1 59 ALA H 4.600 . 6.000 4.485 3.594 5.437 . 0 0 "[ . 1 . 2]" 1
151 1 59 ALA H 1 67 TYR H 2.700 . 3.500 3.411 2.613 3.620 0.120 7 0 "[ . 1 . 2]" 1
152 1 59 ALA H 1 69 SER H 5.800 . 6.000 5.265 4.618 5.922 . 0 0 "[ . 1 . 2]" 1
153 1 60 MET H 1 60 MET QB 2.600 . 3.760 2.236 2.007 2.529 . 0 0 "[ . 1 . 2]" 1
154 1 61 ASP H 1 66 LEU HB2 4.300 . 6.000 3.820 2.549 4.668 . 0 0 "[ . 1 . 2]" 1
155 1 61 ASP H 1 63 ASP HB2 3.700 . 6.000 6.011 5.353 6.259 0.259 17 0 "[ . 1 . 2]" 1
156 1 60 MET H 1 61 ASP H 4.900 . 5.000 4.538 4.449 4.615 . 0 0 "[ . 1 . 2]" 1
157 1 61 ASP H 1 65 LEU H 3.500 . 5.000 3.569 2.968 4.105 . 0 0 "[ . 1 . 2]" 1
158 1 62 THR H 1 63 ASP HB2 3.000 . 6.000 5.022 4.531 5.632 . 0 0 "[ . 1 . 2]" 1
159 1 61 ASP H 1 62 THR H 4.400 . 5.000 4.115 3.627 4.351 . 0 0 "[ . 1 . 2]" 1
160 1 62 THR H 1 94 LYS HB3 2.800 . 6.000 6.141 5.803 6.491 0.491 14 0 "[ . 1 . 2]" 1
161 1 63 ASP H 1 94 LYS QG 4.800 . 6.000 4.425 3.770 4.990 . 0 0 "[ . 1 . 2]" 1
162 1 62 THR H 1 63 ASP H 2.700 . 3.500 3.184 2.706 3.688 0.188 12 0 "[ . 1 . 2]" 1
163 1 63 ASP H 1 65 LEU H 3.500 . 3.500 3.424 3.122 3.601 0.101 6 0 "[ . 1 . 2]" 1
164 1 61 ASP H 1 64 GLY H 4.600 . 6.000 4.030 3.532 4.261 . 0 0 "[ . 1 . 2]" 1
165 1 64 GLY H 1 65 LEU H 2.500 . 2.600 2.151 1.960 2.468 . 0 0 "[ . 1 . 2]" 1
166 1 64 GLY H 1 66 LEU HB2 4.300 . 6.000 4.408 3.498 5.902 . 0 0 "[ . 1 . 2]" 1
167 1 64 GLY H 1 94 LYS QG 4.500 . 6.000 5.780 5.438 5.905 . 0 0 "[ . 1 . 2]" 1
168 1 65 LEU H 1 66 LEU H 4.600 . 5.000 4.269 4.010 4.431 . 0 0 "[ . 1 . 2]" 1
169 1 66 LEU H 1 67 TYR H 4.500 . 5.000 4.313 4.107 4.489 . 0 0 "[ . 1 . 2]" 1
170 1 66 LEU H 1 112 ARG QG 3.500 . 6.000 4.943 3.447 5.932 . 0 0 "[ . 1 . 2]" 1
171 1 66 LEU H 1 66 LEU HB2 2.700 . 3.600 1.938 1.634 2.594 0.166 2 0 "[ . 1 . 2]" 1
172 1 67 TYR H 1 68 GLY HA3 5.100 . 6.000 5.083 4.937 5.397 . 0 0 "[ . 1 . 2]" 1
173 1 56 GLN HE22 1 67 TYR H 4.100 . 6.000 5.763 5.019 6.622 0.622 7 1 "[ . + 1 . 2]" 1
174 1 67 TYR H 1 68 GLY H . . 5.000 4.443 4.366 4.558 . 0 0 "[ . 1 . 2]" 1
175 1 68 GLY H 1 69 SER H 4.400 . 5.000 4.189 3.886 4.380 . 0 0 "[ . 1 . 2]" 1
176 1 57 TYR H 1 68 GLY H 4.600 . 6.000 5.211 4.722 5.842 . 0 0 "[ . 1 . 2]" 1
177 1 56 GLN HE22 1 68 GLY H 3.200 . 4.500 3.242 2.302 4.447 . 0 0 "[ . 1 . 2]" 1
178 1 58 LEU HG 1 69 SER H 3.900 . 6.000 6.121 6.059 6.323 0.323 18 0 "[ . 1 . 2]" 1
179 1 56 GLN HE22 1 69 SER H 2.700 . 6.000 4.739 3.733 5.901 . 0 0 "[ . 1 . 2]" 1
180 1 57 TYR H 1 69 SER H 3.300 . 4.700 2.897 1.818 4.736 0.082 5 0 "[ . 1 . 2]" 1
181 1 70 GLN H 1 71 THR H 2.600 . 3.400 2.555 2.434 2.672 . 0 0 "[ . 1 . 2]" 1
182 1 69 SER H 1 71 THR H 4.800 . 6.000 3.721 3.050 3.960 . 0 0 "[ . 1 . 2]" 1
183 1 71 THR H 1 72 PRO HA 3.000 . 6.000 4.815 4.627 4.936 . 0 0 "[ . 1 . 2]" 1
184 1 72 PRO HB3 1 73 ASN H 4.100 . 6.000 4.369 4.274 4.459 . 0 0 "[ . 1 . 2]" 1
185 1 57 TYR QB 1 73 ASN H 2.200 . 6.000 5.152 4.711 5.620 . 0 0 "[ . 1 . 2]" 1
186 1 73 ASN H 1 76 CYS H 3.300 . 3.500 4.170 3.778 4.728 1.228 18 10 "[ *- * ** .**+**]" 1
187 1 73 ASN H 1 75 GLU H 3.500 . 5.100 3.921 3.568 4.406 . 0 0 "[ . 1 . 2]" 1
188 1 75 GLU H 1 76 CYS H 1.800 . 2.200 1.417 1.372 1.497 0.428 20 0 "[ . 1 . 2]" 1
189 1 60 MET QB 1 75 GLU H 3.100 . 6.000 5.694 5.005 5.926 . 0 0 "[ . 1 . 2]" 1
190 1 76 CYS H 1 77 LEU HG 4.800 . 6.000 4.472 3.714 5.965 . 0 0 "[ . 1 . 2]" 1
191 1 58 LEU HB2 1 76 CYS H 3.400 . 6.000 5.709 4.187 6.549 0.549 7 1 "[ . + 1 . 2]" 1
192 1 60 MET QB 1 76 CYS H 5.000 . 6.000 5.240 4.755 5.624 . 0 0 "[ . 1 . 2]" 1
193 1 76 CYS H 1 77 LEU H 2.500 . 2.600 2.773 2.712 2.856 0.256 8 0 "[ . 1 . 2]" 1
194 1 77 LEU H 1 78 PHE H 4.600 . 6.000 4.483 4.382 4.567 . 0 0 "[ . 1 . 2]" 1
195 1 75 GLU H 1 77 LEU H 3.700 . 5.000 3.467 3.059 3.633 . 0 0 "[ . 1 . 2]" 1
196 1 48 TYR HA 1 77 LEU H 3.900 . 5.800 5.360 4.681 5.869 0.069 13 0 "[ . 1 . 2]" 1
197 1 77 LEU HG 1 78 PHE H 4.400 . 6.000 4.914 3.819 5.233 . 0 0 "[ . 1 . 2]" 1
198 1 78 PHE H 1 78 PHE QB 3.000 . 3.500 2.749 2.563 3.009 . 0 0 "[ . 1 . 2]" 1
199 1 78 PHE H 1 79 LEU HA 4.300 . 6.000 4.827 4.680 4.946 . 0 0 "[ . 1 . 2]" 1
200 1 78 PHE H 1 93 LYS H 4.900 . 5.000 5.002 4.899 5.119 0.119 3 0 "[ . 1 . 2]" 1
201 1 47 VAL H 1 78 PHE H 3.000 . 3.500 3.338 3.007 3.529 0.029 7 0 "[ . 1 . 2]" 1
202 1 78 PHE H 1 79 LEU H . . 5.000 4.412 4.376 4.440 . 0 0 "[ . 1 . 2]" 1
203 1 79 LEU H 1 93 LYS QB 4.400 . 6.000 3.143 2.483 3.855 . 0 0 "[ . 1 . 2]" 1
204 1 78 PHE QB 1 79 LEU H . . 5.000 2.475 2.368 2.653 . 0 0 "[ . 1 . 2]" 1
205 1 80 GLU H 1 93 LYS QB 4.200 . 6.000 5.290 4.670 5.521 . 0 0 "[ . 1 . 2]" 1
206 1 80 GLU H 1 81 ARG H 4.600 . 5.000 4.434 4.338 4.503 . 0 0 "[ . 1 . 2]" 1
207 1 81 ARG H 1 89 THR H 3.000 . 4.100 3.299 3.106 3.454 . 0 0 "[ . 1 . 2]" 1
208 1 79 LEU HA 1 81 ARG H 2.900 . 6.000 5.966 5.750 6.055 0.055 13 0 "[ . 1 . 2]" 1
209 1 81 ARG H 1 82 LEU HG 2.600 . 6.000 5.394 4.475 6.053 0.053 20 0 "[ . 1 . 2]" 1
210 1 80 GLU QB 1 81 ARG H 4.300 . 6.000 3.689 3.100 3.887 . 0 0 "[ . 1 . 2]" 1
211 1 30 ARG H 1 31 SER H 2.700 . 3.500 2.267 1.790 3.075 0.010 18 0 "[ . 1 . 2]" 1
212 1 81 ARG H 1 82 LEU H . . 5.000 4.152 3.900 4.420 . 0 0 "[ . 1 . 2]" 1
213 1 83 GLU H 1 89 THR H 3.900 . 5.800 3.657 3.234 4.027 . 0 0 "[ . 1 . 2]" 1
214 1 83 GLU H 1 87 TYR H 3.500 . 5.000 4.076 3.387 5.058 0.058 18 0 "[ . 1 . 2]" 1
215 1 81 ARG QG 1 83 GLU H 3.400 . 4.900 4.235 3.478 4.696 . 0 0 "[ . 1 . 2]" 1
216 1 86 HIS H 1 87 TYR H 2.600 . 3.500 2.584 1.852 3.042 . 0 0 "[ . 1 . 2]" 1
217 1 83 GLU H 1 86 HIS H 4.500 . 6.000 5.626 5.164 6.094 0.094 7 0 "[ . 1 . 2]" 1
218 1 84 GLU H 1 86 HIS H 4.200 . 6.000 3.945 1.985 4.725 0.015 18 0 "[ . 1 . 2]" 1
219 1 88 ASN H 1 88 ASN HD21 5.900 . 6.000 4.365 2.336 5.180 . 0 0 "[ . 1 . 2]" 1
220 1 88 ASN H 1 89 THR H 4.900 . 5.000 4.475 4.406 4.533 . 0 0 "[ . 1 . 2]" 1
221 1 88 ASN H 1 125 PHE H 3.500 . 5.000 3.543 3.107 3.839 . 0 0 "[ . 1 . 2]" 1
222 1 90 TYR H 1 91 ILE HA 3.600 . 5.200 4.792 4.615 4.910 . 0 0 "[ . 1 . 2]" 1
223 1 79 LEU H 1 91 ILE H 2.900 . 4.000 2.895 2.567 3.090 . 0 0 "[ . 1 . 2]" 1
224 1 78 PHE QB 1 91 ILE H 4.800 . 5.000 3.215 2.681 3.759 . 0 0 "[ . 1 . 2]" 1
225 1 91 ILE H 1 93 LYS QB 4.100 . 6.000 5.679 5.231 5.905 . 0 0 "[ . 1 . 2]" 1
226 1 92 SER H 1 93 LYS QB 5.200 . 6.000 5.562 5.299 5.724 . 0 0 "[ . 1 . 2]" 1
227 1 78 PHE QB 1 92 SER H 3.200 . 6.000 4.734 4.288 5.385 . 0 0 "[ . 1 . 2]" 1
228 1 91 ILE HA 1 92 SER H 2.100 . 2.600 2.276 2.154 2.357 . 0 0 "[ . 1 . 2]" 1
229 1 79 LEU H 1 93 LYS H 3.800 . 5.000 3.242 2.758 3.567 . 0 0 "[ . 1 . 2]" 1
230 1 93 LYS H 1 94 LYS HB3 3.500 . 5.100 5.051 4.714 6.000 0.900 9 1 "[ . +1 . 2]" 1
231 1 91 ILE QG 1 93 LYS H 5.300 . 6.000 5.578 4.619 5.770 . 0 0 "[ . 1 . 2]" 1
232 1 94 LYS H 1 94 LYS HB3 2.700 . 3.600 2.691 2.441 3.604 0.004 9 0 "[ . 1 . 2]" 1
233 1 94 LYS H 1 96 ALA H 3.300 . 4.700 3.713 3.243 3.907 . 0 0 "[ . 1 . 2]" 1
234 1 93 LYS H 1 94 LYS H 3.100 . 4.300 2.539 2.093 2.680 . 0 0 "[ . 1 . 2]" 1
235 1 94 LYS H 1 95 HIS H 2.900 . 3.500 3.016 2.761 3.366 . 0 0 "[ . 1 . 2]" 1
236 1 93 LYS H 1 95 HIS H 5.000 . 6.000 5.123 4.904 5.356 . 0 0 "[ . 1 . 2]" 1
237 1 95 HIS H 1 96 ALA H 2.500 . 3.300 3.109 2.379 3.325 0.025 11 0 "[ . 1 . 2]" 1
238 1 63 ASP QB 1 95 HIS H 4.100 . 6.000 3.239 2.282 3.885 . 0 0 "[ . 1 . 2]" 1
239 1 60 MET QB 1 95 HIS H 2.000 . 6.000 5.336 4.510 5.717 . 0 0 "[ . 1 . 2]" 1
240 1 96 ALA H 1 98 LYS HB2 6.000 . 6.000 5.757 5.136 6.650 0.650 12 1 "[ . 1 + . 2]" 1
241 1 91 ILE HA 1 96 ALA H 6.000 . 6.000 7.707 6.405 8.468 2.468 2 17 "[*+*** ****** -* ****]" 1
242 1 96 ALA H 1 98 LYS H 3.100 . 4.300 4.252 4.014 4.516 0.216 4 0 "[ . 1 . 2]" 1
243 1 98 LYS H 1 99 ASN H 2.400 . 2.600 2.328 2.240 2.434 . 0 0 "[ . 1 . 2]" 1
244 1 97 GLU H 1 98 LYS H 2.700 . 3.500 2.727 2.501 3.008 . 0 0 "[ . 1 . 2]" 1
245 1 99 ASN HB2 1 100 TRP H 3.400 . 4.900 4.335 3.996 4.599 . 0 0 "[ . 1 . 2]" 1
246 1 99 ASN H 1 100 TRP H 3.000 . 3.500 2.498 2.331 2.836 . 0 0 "[ . 1 . 2]" 1
247 1 100 TRP H 1 101 PHE H 4.200 . 6.000 4.574 4.536 4.624 . 0 0 "[ . 1 . 2]" 1
248 1 101 PHE H 1 116 THR H 4.600 . 6.000 5.178 4.693 5.989 . 0 0 "[ . 1 . 2]" 1
249 1 101 PHE H 1 102 VAL H 4.800 . 5.000 4.499 4.355 4.590 . 0 0 "[ . 1 . 2]" 1
250 1 92 SER HB2 1 102 VAL H 4.000 . 6.000 4.811 2.872 5.880 . 0 0 "[ . 1 . 2]" 1
251 1 102 VAL H 1 103 GLY H 4.800 . 6.000 4.332 4.225 4.406 . 0 0 "[ . 1 . 2]" 1
252 1 103 GLY H 1 104 LEU H 4.400 . 5.000 4.351 4.246 4.424 . 0 0 "[ . 1 . 2]" 1
253 1 7 LEU QD 1 104 LEU H 3.700 . 6.000 4.758 4.117 5.380 . 0 0 "[ . 1 . 2]" 1
254 1 66 LEU QD 1 104 LEU H 2.800 . 6.000 4.405 3.663 5.590 . 0 0 "[ . 1 . 2]" 1
255 1 104 LEU H 1 105 LYS H 3.600 . 5.200 4.386 4.144 4.572 . 0 0 "[ . 1 . 2]" 1
256 1 105 LYS H 1 112 ARG HA 3.500 . 6.000 6.300 5.752 7.698 1.698 6 4 "[ * .+ 1- * . 2]" 1
257 1 105 LYS H 1 105 LYS HB3 3.100 . 4.300 2.857 2.548 3.596 . 0 0 "[ . 1 . 2]" 1
258 1 105 LYS H 1 112 ARG QG 2.900 . 3.900 4.129 3.228 6.329 2.429 6 4 "[ * .+ 1- * . 2]" 1
259 1 7 LEU QD 1 105 LYS H 3.800 . 6.000 5.365 5.042 5.698 . 0 0 "[ . 1 . 2]" 1
260 1 104 LEU HG 1 106 LYS H 2.600 . 6.000 4.665 2.265 6.087 0.087 13 0 "[ . 1 . 2]" 1
261 1 7 LEU HG 1 106 LYS H 3.300 . 6.000 6.062 5.802 6.154 0.154 10 0 "[ . 1 . 2]" 1
262 1 10 SER H 1 106 LYS H 3.000 . 6.000 5.104 4.154 5.999 . 0 0 "[ . 1 . 2]" 1
263 1 106 LYS H 1 107 ASN H 2.600 . 3.500 2.486 2.332 2.726 . 0 0 "[ . 1 . 2]" 1
264 1 107 ASN HA 1 108 GLY H . . 3.500 3.354 3.275 3.416 . 0 0 "[ . 1 . 2]" 1
265 1 105 LYS H 1 109 SER H 3.500 . 5.000 4.001 3.673 4.379 . 0 0 "[ . 1 . 2]" 1
266 1 26 GLY H 1 109 SER H 3.600 . 5.200 4.100 3.748 4.310 . 0 0 "[ . 1 . 2]" 1
267 1 107 ASN HA 1 109 SER H 1.800 . 6.000 5.855 5.587 6.004 0.004 20 0 "[ . 1 . 2]" 1
268 1 109 SER H 1 111 LYS QD 3.300 . 4.600 3.595 2.721 4.677 0.077 1 0 "[ . 1 . 2]" 1
269 1 7 LEU QD 1 110 CYS H 2.600 . 6.000 5.768 4.347 8.017 2.017 10 2 "[- . + . 2]" 1
270 1 110 CYS H 1 111 LYS QD 5.600 . 6.000 4.381 3.277 5.172 . 0 0 "[ . 1 . 2]" 1
271 1 109 SER H 1 110 CYS H 3.900 . 5.800 4.288 4.192 4.350 . 0 0 "[ . 1 . 2]" 1
272 1 110 CYS H 1 111 LYS H 3.800 . 5.000 4.384 4.132 4.674 . 0 0 "[ . 1 . 2]" 1
273 1 105 LYS H 1 111 LYS H 3.500 . 5.000 2.642 1.885 4.163 0.015 8 0 "[ . 1 . 2]" 1
274 1 110 CYS HA 1 111 LYS H 2.200 . 2.600 2.263 2.053 2.491 . 0 0 "[ . 1 . 2]" 1
275 1 66 LEU QD 1 111 LYS H 2.700 . 3.600 3.289 1.772 3.759 0.159 14 0 "[ . 1 . 2]" 1
276 1 66 LEU QD 1 112 ARG H 2.600 . 3.500 2.562 1.516 4.382 0.882 6 1 "[ .+ 1 . 2]" 1
277 1 112 ARG H 1 112 ARG HA 2.300 . 2.900 2.901 2.844 2.943 0.043 5 0 "[ . 1 . 2]" 1
278 1 111 LYS H 1 112 ARG H 3.600 . 5.200 4.078 3.692 4.524 . 0 0 "[ . 1 . 2]" 1
279 1 112 ARG H 1 113 GLY H 4.000 . 6.000 3.798 3.307 4.496 . 0 0 "[ . 1 . 2]" 1
280 1 66 LEU QD 1 113 GLY H 2.000 . 6.000 4.122 2.996 4.858 . 0 0 "[ . 1 . 2]" 1
281 1 65 LEU MD1 1 113 GLY H 2.400 . 6.000 5.181 2.651 6.757 0.757 18 1 "[ . 1 . + 2]" 1
282 1 115 ARG H 1 119 GLY HA3 4.800 . 6.000 6.108 6.048 6.189 0.189 8 0 "[ . 1 . 2]" 1
283 1 115 ARG H 1 120 GLN HB2 6.000 . 6.000 6.045 5.466 6.182 0.182 17 0 "[ . 1 . 2]" 1
284 1 113 GLY H 1 116 THR H 5.200 . 6.000 4.582 3.891 5.041 . 0 0 "[ . 1 . 2]" 1
285 1 115 ARG H 1 116 THR H 2.500 . 2.600 2.111 1.795 2.573 0.005 17 0 "[ . 1 . 2]" 1
286 1 116 THR H 1 119 GLY HA3 3.000 . 6.000 5.831 5.098 6.083 0.083 7 0 "[ . 1 . 2]" 1
287 1 101 PHE HB2 1 116 THR H 6.000 . 6.000 4.978 4.397 6.067 0.067 8 0 "[ . 1 . 2]" 1
288 1 116 THR H 1 120 GLN HB2 4.900 . 6.000 5.937 5.362 6.190 0.190 9 0 "[ . 1 . 2]" 1
289 1 117 HIS H 1 120 GLN HB2 3.000 . 6.000 5.305 4.378 6.057 0.057 5 0 "[ . 1 . 2]" 1
290 1 117 HIS H 1 118 TYR HB2 3.500 . 6.000 5.917 5.647 6.309 0.309 5 0 "[ . 1 . 2]" 1
291 1 117 HIS H 1 119 GLY HA2 3.600 . 6.000 6.040 5.847 6.094 0.094 9 0 "[ . 1 . 2]" 1
292 1 116 THR H 1 117 HIS H 3.700 . 5.400 4.139 2.364 4.390 . 0 0 "[ . 1 . 2]" 1
293 1 118 TYR H 1 119 GLY H 3.900 . 5.000 3.691 3.612 3.770 . 0 0 "[ . 1 . 2]" 1
294 1 117 HIS H 1 118 TYR H 3.100 . 4.300 4.247 4.181 4.349 0.049 8 0 "[ . 1 . 2]" 1
295 1 118 TYR H 1 119 GLY HA3 3.700 . 5.400 5.361 5.257 5.424 0.024 17 0 "[ . 1 . 2]" 1
296 1 118 TYR H 1 119 GLY HA2 3.600 . 5.200 5.252 5.209 5.334 0.134 17 0 "[ . 1 . 2]" 1
297 1 119 GLY H 1 123 ILE HB 4.100 . 6.000 5.358 4.632 6.021 0.021 4 0 "[ . 1 . 2]" 1
298 1 119 GLY H 1 120 GLN HA 3.600 . 5.200 4.568 4.508 4.618 . 0 0 "[ . 1 . 2]" 1
299 1 119 GLY H 1 121 LYS HA 2.800 . 6.000 5.994 5.835 6.093 0.093 5 0 "[ . 1 . 2]" 1
300 1 119 GLY H 1 120 GLN H 2.300 . 2.900 1.814 1.734 1.910 0.066 2 0 "[ . 1 . 2]" 1
301 1 120 GLN H 1 121 LYS H 3.900 . 5.800 4.365 4.277 4.419 . 0 0 "[ . 1 . 2]" 1
302 1 120 GLN H 1 123 ILE H 4.000 . 6.000 4.751 4.437 5.080 . 0 0 "[ . 1 . 2]" 1
303 1 120 GLN H 1 121 LYS HA 3.100 . 6.000 4.774 4.649 4.925 . 0 0 "[ . 1 . 2]" 1
304 1 121 LYS H 1 121 LYS HB2 2.500 . 3.300 2.597 2.231 3.654 0.354 4 0 "[ . 1 . 2]" 1
305 1 121 LYS H 1 123 ILE HB 3.500 . 6.000 6.037 5.892 6.135 0.135 9 0 "[ . 1 . 2]" 1
306 1 121 LYS H 1 122 ALA H 2.800 . 3.800 2.558 2.266 2.778 . 0 0 "[ . 1 . 2]" 1
307 1 121 LYS HA 1 122 ALA H 3.000 . 4.100 3.112 2.902 3.224 . 0 0 "[ . 1 . 2]" 1
308 1 121 LYS HB2 1 122 ALA H 3.200 . 4.500 3.895 3.587 4.484 . 0 0 "[ . 1 . 2]" 1
309 1 121 LYS H 1 123 ILE H 5.400 . 6.000 4.317 4.145 4.435 . 0 0 "[ . 1 . 2]" 1
310 1 124 LEU H 1 125 PHE H 3.800 . 5.000 4.167 3.906 4.466 . 0 0 "[ . 1 . 2]" 1
311 1 10 SER H 1 124 LEU H 4.700 . 6.000 5.497 4.339 6.143 0.143 14 0 "[ . 1 . 2]" 1
312 1 123 ILE H 1 124 LEU H 2.500 . 3.300 2.397 2.303 2.549 . 0 0 "[ . 1 . 2]" 1
313 1 120 GLN HB3 1 124 LEU H 2.800 . 6.000 6.001 5.733 6.119 0.119 18 0 "[ . 1 . 2]" 1
314 1 104 LEU QD 1 125 PHE H 6.000 . 6.000 5.594 5.003 6.004 0.004 13 0 "[ . 1 . 2]" 1
315 1 128 LEU H 1 129 PRO HB3 4.200 . 6.000 5.995 5.688 6.090 0.090 19 0 "[ . 1 . 2]" 1
316 1 6 LEU QD 1 128 LEU H 2.400 . 6.000 3.180 1.723 4.104 . 0 0 "[ . 1 . 2]" 1
317 1 6 LEU H 1 130 VAL H . . 5.000 4.797 4.293 5.088 0.088 20 0 "[ . 1 . 2]" 1
318 1 130 VAL H 1 131 SER H 3.900 . 5.000 4.551 4.382 4.607 . 0 0 "[ . 1 . 2]" 1
319 1 3 LYS HA 1 130 VAL H 1.700 . 6.000 5.155 3.844 6.075 0.075 19 0 "[ . 1 . 2]" 1
320 1 2 LYS HA 1 130 VAL H 6.000 . 6.000 4.615 2.886 6.010 0.010 20 0 "[ . 1 . 2]" 1
321 1 1 TYR QB 1 130 VAL H 3.200 . 6.000 5.478 4.110 5.954 . 0 0 "[ . 1 . 2]" 1
322 1 36 GLN HB2 1 130 VAL H 1.700 . 6.000 5.959 5.273 6.380 0.380 14 0 "[ . 1 . 2]" 1
323 1 3 LYS HB2 1 130 VAL H 3.000 . 6.000 5.497 2.423 6.901 0.901 3 4 "[ + * 1 *- 2]" 1
324 1 1 TYR QB 1 131 SER H 3.100 . 6.000 4.637 3.770 5.760 . 0 0 "[ . 1 . 2]" 1
325 1 1 TYR HA 1 132 SER H 3.400 . 4.800 3.769 2.048 5.102 0.302 11 0 "[ . 1 . 2]" 1
326 1 1 TYR HA 1 133 ASP H 2.400 . 6.000 5.671 4.131 6.043 0.043 5 0 "[ . 1 . 2]" 1
327 1 2 LYS HA 1 3 LYS H 2.200 . 2.600 2.180 2.041 2.466 . 0 0 "[ . 1 . 2]" 1
328 1 5 LYS H 1 6 LEU H 3.400 . 5.000 4.510 4.419 4.564 . 0 0 "[ . 1 . 2]" 1
329 1 5 LYS HA 1 6 LEU H 2.200 . 2.600 2.312 2.204 2.445 . 0 0 "[ . 1 . 2]" 1
330 1 6 LEU H 1 127 PRO HA 3.400 . 5.000 4.183 3.721 5.025 0.025 7 0 "[ . 1 . 2]" 1
331 1 6 LEU HA 1 7 LEU H 2.200 . 2.600 2.245 2.170 2.358 . 0 0 "[ . 1 . 2]" 1
332 1 6 LEU HB2 1 7 LEU H 3.400 . 5.000 3.765 2.517 4.276 . 0 0 "[ . 1 . 2]" 1
333 1 6 LEU HB3 1 7 LEU H 3.400 . 5.000 4.048 3.719 4.385 . 0 0 "[ . 1 . 2]" 1
334 1 7 LEU H 1 7 LEU HB2 2.650 . 3.500 2.788 2.504 3.028 . 0 0 "[ . 1 . 2]" 1
335 1 7 LEU H 1 7 LEU HG 3.400 . 5.000 4.540 4.372 4.789 . 0 0 "[ . 1 . 2]" 1
336 1 7 LEU H 1 15 PHE QD 4.500 . 7.200 4.791 3.049 5.566 . 0 0 "[ . 1 . 2]" 1
337 1 7 LEU HA 1 8 TYR H 2.200 . 2.600 2.213 1.884 2.344 . 0 0 "[ . 1 . 2]" 1
338 1 7 LEU HB3 1 8 TYR H 3.400 . 5.000 4.407 3.850 4.541 . 0 0 "[ . 1 . 2]" 1
339 1 8 TYR H 1 8 TYR QB 2.650 . 3.500 2.430 2.205 3.056 . 0 0 "[ . 1 . 2]" 1
340 1 8 TYR H 1 15 PHE QE 4.500 . 7.200 6.264 4.998 7.216 0.016 9 0 "[ . 1 . 2]" 1
341 1 8 TYR H 1 127 PRO HA 2.650 . 3.500 3.492 3.268 3.746 0.246 17 0 "[ . 1 . 2]" 1
342 1 8 TYR HA 1 15 PHE HA 3.400 . 5.000 3.782 2.768 5.313 0.313 17 0 "[ . 1 . 2]" 1
343 1 8 TYR QD 1 15 PHE HA 4.500 . 7.200 4.569 3.357 6.765 . 0 0 "[ . 1 . 2]" 1
344 1 8 TYR QD 1 126 LEU HB2 3.750 . 5.700 3.488 2.127 6.359 0.659 17 1 "[ . 1 . + 2]" 1
345 1 8 TYR QD 1 126 LEU MD2 5.000 . 8.200 3.883 2.221 6.702 . 0 0 "[ . 1 . 2]" 1
346 1 9 CYS HA 1 10 SER H 2.200 . 2.600 2.450 2.171 2.619 0.019 16 0 "[ . 1 . 2]" 1
347 1 10 SER H 1 11 ASN H 3.400 . 5.000 4.348 3.908 4.712 . 0 0 "[ . 1 . 2]" 1
348 1 10 SER H 1 125 PHE HA 3.400 . 5.000 4.597 3.543 5.230 0.230 5 0 "[ . 1 . 2]" 1
349 1 11 ASN H 1 12 GLY H 3.400 . 5.000 4.245 3.980 4.673 . 0 0 "[ . 1 . 2]" 1
350 1 11 ASN H 1 122 ALA MB 4.400 . 7.000 6.324 4.441 7.164 0.164 11 0 "[ . 1 . 2]" 1
351 1 8 TYR QD 1 13 GLY H 4.500 . 7.200 5.800 3.942 9.666 2.466 17 1 "[ . 1 . + 2]" 1
352 1 13 GLY HA2 1 14 HIS H 2.650 . 3.500 2.425 2.331 2.896 . 0 0 "[ . 1 . 2]" 1
353 1 13 GLY HA3 1 14 HIS H 2.650 . 3.500 3.376 2.095 3.550 0.050 8 0 "[ . 1 . 2]" 1
354 1 14 HIS H 1 15 PHE H 3.400 . 5.000 4.378 4.286 4.422 . 0 0 "[ . 1 . 2]" 1
355 1 14 HIS H 1 26 GLY QA 3.650 . 5.500 4.957 3.239 5.380 . 0 0 "[ . 1 . 2]" 1
356 1 14 HIS HA 1 14 HIS HD2 3.400 . 5.000 3.077 2.026 4.421 . 0 0 "[ . 1 . 2]" 1
357 1 14 HIS HA 1 15 PHE H 2.200 . 2.600 2.532 2.424 2.702 0.102 11 0 "[ . 1 . 2]" 1
358 1 14 HIS HB2 1 15 PHE H 3.400 . 5.000 3.736 2.182 3.961 . 0 0 "[ . 1 . 2]" 1
359 1 14 HIS HB3 1 15 PHE H 3.400 . 5.000 2.497 2.276 3.482 . 0 0 "[ . 1 . 2]" 1
360 1 14 HIS HD2 1 15 PHE H 3.400 . 5.000 4.003 3.493 4.470 . 0 0 "[ . 1 . 2]" 1
361 1 15 PHE H 1 16 LEU H 3.400 . 5.000 4.303 4.161 4.553 . 0 0 "[ . 1 . 2]" 1
362 1 15 PHE H 1 27 THR MG 3.900 . 6.000 4.684 4.436 4.886 . 0 0 "[ . 1 . 2]" 1
363 1 15 PHE H 1 28 ARG HA 3.400 . 5.000 3.044 2.380 3.337 . 0 0 "[ . 1 . 2]" 1
364 1 7 LEU HB2 1 16 LEU H 3.400 . 5.000 4.413 2.927 5.505 0.505 9 1 "[ . +1 . 2]" 1
365 1 16 LEU H 1 16 LEU QD 3.900 . 6.000 3.427 2.416 3.737 . 0 0 "[ . 1 . 2]" 1
366 1 16 LEU QD 1 49 ILE MD 4.400 . 7.000 4.789 3.692 6.318 . 0 0 "[ . 1 . 2]" 1
367 1 16 LEU HA 1 17 ARG H 2.200 . 2.600 2.059 1.860 2.176 . 0 0 "[ . 1 . 2]" 1
368 1 16 LEU HB2 1 17 ARG H 3.400 . 5.000 3.885 2.889 4.459 . 0 0 "[ . 1 . 2]" 1
369 1 16 LEU HB3 1 17 ARG H 3.400 . 5.000 4.113 3.519 4.363 . 0 0 "[ . 1 . 2]" 1
370 1 16 LEU HG 1 17 ARG H 2.650 . 3.500 3.181 2.703 3.676 0.176 20 0 "[ . 1 . 2]" 1
371 1 16 LEU QD 1 17 ARG H 2.700 . 3.600 3.019 2.142 3.558 . 0 0 "[ . 1 . 2]" 1
372 1 17 ARG H 1 24 VAL HA 3.400 . 5.000 3.933 3.539 4.714 . 0 0 "[ . 1 . 2]" 1
373 1 17 ARG H 1 26 GLY QA 3.400 . 5.000 3.311 3.022 3.540 . 0 0 "[ . 1 . 2]" 1
374 1 17 ARG HA 1 18 ILE H 2.200 . 2.600 2.358 2.283 2.446 . 0 0 "[ . 1 . 2]" 1
375 1 17 ARG HG2 1 18 ILE H 3.400 . 5.000 3.565 2.518 4.770 . 0 0 "[ . 1 . 2]" 1
376 1 17 ARG HG3 1 18 ILE H 3.400 . 5.000 3.714 2.451 4.939 . 0 0 "[ . 1 . 2]" 1
377 1 18 ILE H 1 18 ILE HB 2.650 . 3.500 3.686 3.664 3.714 0.214 3 0 "[ . 1 . 2]" 1
378 1 18 ILE H 1 18 ILE MG 2.700 . 3.600 2.320 2.034 2.520 . 0 0 "[ . 1 . 2]" 1
379 1 18 ILE H 1 35 ILE HA 3.400 . 5.000 4.480 3.505 5.142 0.142 20 0 "[ . 1 . 2]" 1
380 1 18 ILE HA 1 19 LEU H 2.200 . 2.600 2.097 2.068 2.155 . 0 0 "[ . 1 . 2]" 1
381 1 18 ILE HB 1 19 LEU H 3.400 . 5.000 3.002 2.814 3.309 . 0 0 "[ . 1 . 2]" 1
382 1 18 ILE MG 1 19 LEU H 3.150 . 4.500 3.914 3.738 4.156 . 0 0 "[ . 1 . 2]" 1
383 1 19 LEU H 1 19 LEU HB2 2.650 . 3.500 2.740 2.396 3.838 0.338 4 0 "[ . 1 . 2]" 1
384 1 19 LEU H 1 19 LEU HB3 2.650 . 3.500 3.478 2.616 3.746 0.246 15 0 "[ . 1 . 2]" 1
385 1 19 LEU H 1 22 GLY H 3.400 . 5.000 4.128 3.665 4.627 . 0 0 "[ . 1 . 2]" 1
386 1 19 LEU H 1 24 VAL HA 3.400 . 5.000 4.053 3.315 5.028 0.028 4 0 "[ . 1 . 2]" 1
387 1 19 LEU HB2 1 21 ASP H 3.400 . 5.000 3.308 2.739 4.493 . 0 0 "[ . 1 . 2]" 1
388 1 19 LEU HB3 1 21 ASP H 2.650 . 3.500 3.036 2.372 4.425 0.925 4 3 "[ +. * 1 . -]" 1
389 1 19 LEU MD1 1 21 ASP H 3.900 . 6.000 4.348 2.962 5.170 . 0 0 "[ . 1 . 2]" 1
390 1 19 LEU MD2 1 21 ASP H 3.900 . 6.000 4.225 1.849 4.700 . 0 0 "[ . 1 . 2]" 1
391 1 20 PRO HA 1 21 ASP H 2.650 . 3.500 3.204 3.094 3.286 . 0 0 "[ . 1 . 2]" 1
392 1 20 PRO HB2 1 21 ASP H 2.650 . 3.500 3.670 3.569 3.776 0.276 12 0 "[ . 1 . 2]" 1
393 1 21 ASP H 1 21 ASP HB2 2.650 . 3.500 2.643 2.393 3.699 0.199 10 0 "[ . 1 . 2]" 1
394 1 21 ASP H 1 21 ASP HB3 2.650 . 3.500 3.116 2.388 3.659 0.159 18 0 "[ . 1 . 2]" 1
395 1 21 ASP H 1 23 THR MG 3.900 . 6.000 5.885 5.471 6.076 0.076 9 0 "[ . 1 . 2]" 1
396 1 20 PRO HB2 1 22 GLY H 3.550 . 5.300 5.167 5.004 5.367 0.067 3 0 "[ . 1 . 2]" 1
397 1 21 ASP HA 1 22 GLY H 2.650 . 3.500 3.387 3.200 3.476 . 0 0 "[ . 1 . 2]" 1
398 1 21 ASP HB2 1 22 GLY H 3.400 . 5.000 3.681 3.096 4.194 . 0 0 "[ . 1 . 2]" 1
399 1 21 ASP HB3 1 22 GLY H 3.400 . 5.000 3.676 2.881 4.314 . 0 0 "[ . 1 . 2]" 1
400 1 22 GLY H 1 23 THR MG 3.900 . 6.000 5.256 4.887 5.508 . 0 0 "[ . 1 . 2]" 1
401 1 23 THR H 1 23 THR HB 2.200 . 2.600 2.944 2.834 3.520 0.920 6 1 "[ .+ 1 . 2]" 1
402 1 23 THR H 1 23 THR MG 2.700 . 3.600 3.799 3.718 3.868 0.268 10 0 "[ . 1 . 2]" 1
403 1 23 THR HA 1 24 VAL MG2 3.900 . 6.000 5.192 3.474 5.557 . 0 0 "[ . 1 . 2]" 1
404 1 23 THR HA 1 24 VAL H 2.200 . 2.600 2.220 2.154 2.292 . 0 0 "[ . 1 . 2]" 1
405 1 23 THR HB 1 24 VAL H 2.650 . 3.500 3.645 3.533 3.835 0.335 17 0 "[ . 1 . 2]" 1
406 1 23 THR MG 1 24 VAL H 2.700 . 3.600 2.646 2.212 3.352 . 0 0 "[ . 1 . 2]" 1
407 1 24 VAL H 1 24 VAL HB 2.650 . 3.500 2.976 2.474 3.327 . 0 0 "[ . 1 . 2]" 1
408 1 24 VAL H 1 24 VAL MG1 3.150 . 4.500 2.473 1.795 3.840 0.005 4 0 "[ . 1 . 2]" 1
409 1 24 VAL H 1 25 ASP H 3.400 . 5.000 4.049 3.913 4.265 . 0 0 "[ . 1 . 2]" 1
410 1 17 ARG HA 1 25 ASP H 3.400 . 5.000 4.980 4.748 5.120 0.120 3 0 "[ . 1 . 2]" 1
411 1 18 ILE HA 1 25 ASP H 3.400 . 5.000 3.952 3.666 4.324 . 0 0 "[ . 1 . 2]" 1
412 1 23 THR MG 1 25 ASP H 3.900 . 6.000 3.736 3.373 4.350 . 0 0 "[ . 1 . 2]" 1
413 1 24 VAL HA 1 25 ASP H 2.200 . 2.600 2.142 2.037 2.314 . 0 0 "[ . 1 . 2]" 1
414 1 24 VAL MG2 1 25 ASP H 2.700 . 3.600 3.393 3.044 4.513 0.913 17 3 "[ -* . 1 . + 2]" 1
415 1 24 VAL MG1 1 25 ASP H 2.700 . 3.600 3.942 3.334 4.335 0.735 4 5 "[ +. *1 * . -*]" 1
416 1 25 ASP HA 1 26 GLY H 2.650 . 3.500 2.311 2.122 2.455 . 0 0 "[ . 1 . 2]" 1
417 1 26 GLY H 1 104 LEU QD 3.900 . 6.000 5.007 3.942 5.466 . 0 0 "[ . 1 . 2]" 1
418 1 14 HIS HA 1 27 THR H 3.400 . 5.000 4.317 3.779 4.661 . 0 0 "[ . 1 . 2]" 1
419 1 14 HIS HD2 1 27 THR H 3.400 . 5.000 4.319 3.416 5.139 0.139 14 0 "[ . 1 . 2]" 1
420 1 15 PHE QD 1 27 THR H 4.500 . 7.200 4.678 4.215 5.070 . 0 0 "[ . 1 . 2]" 1
421 1 16 LEU HA 1 27 THR H 3.400 . 5.000 3.584 3.057 4.072 . 0 0 "[ . 1 . 2]" 1
422 1 26 GLY QA 1 27 THR H 2.200 . 2.600 1.933 1.884 1.983 . 0 0 "[ . 1 . 2]" 1
423 1 27 THR H 1 27 THR MG 2.700 . 3.600 3.781 3.706 3.883 0.283 11 0 "[ . 1 . 2]" 1
424 1 27 THR HA 1 28 ARG H 2.200 . 2.600 2.465 2.373 2.549 . 0 0 "[ . 1 . 2]" 1
425 1 15 PHE QD 1 29 ASP H 4.500 . 7.200 2.105 1.703 4.210 0.097 5 0 "[ . 1 . 2]" 1
426 1 27 THR HA 1 29 ASP H 3.400 . 5.000 5.265 5.122 5.446 0.446 13 0 "[ . 1 . 2]" 1
427 1 27 THR HB 1 29 ASP H 3.400 . 5.000 4.594 3.995 5.019 0.019 9 0 "[ . 1 . 2]" 1
428 1 27 THR MG 1 29 ASP H 2.700 . 3.600 3.657 3.410 3.802 0.202 9 0 "[ . 1 . 2]" 1
429 1 29 ASP H 1 29 ASP HB3 2.450 . 3.100 3.272 2.674 3.906 0.806 20 9 "[ **.* 1 * ** *-+]" 1
430 1 29 ASP H 1 29 ASP HB2 2.450 . 3.100 3.029 2.704 3.646 0.546 7 1 "[ . + 1 . 2]" 1
431 1 15 PHE QD 1 30 ARG H 3.750 . 5.700 4.535 3.703 5.815 0.115 20 0 "[ . 1 . 2]" 1
432 1 15 PHE QE 1 30 ARG H 4.500 . 7.200 4.729 2.932 7.135 . 0 0 "[ . 1 . 2]" 1
433 1 29 ASP HA 1 30 ARG H 2.200 . 2.600 2.311 2.217 2.562 . 0 0 "[ . 1 . 2]" 1
434 1 29 ASP HB3 1 30 ARG H 3.400 . 5.000 3.789 2.714 4.572 . 0 0 "[ . 1 . 2]" 1
435 1 29 ASP HB2 1 30 ARG H 3.400 . 5.000 4.252 3.650 4.509 . 0 0 "[ . 1 . 2]" 1
436 1 30 ARG H 1 35 ILE MD 3.900 . 6.000 4.565 3.389 5.853 . 0 0 "[ . 1 . 2]" 1
437 1 31 SER H 1 31 SER HB2 2.650 . 3.500 2.930 2.477 4.037 0.537 9 1 "[ . +1 . 2]" 1
438 1 31 SER H 1 31 SER HB3 2.650 . 3.500 3.391 2.601 3.673 0.173 13 0 "[ . 1 . 2]" 1
439 1 31 SER H 1 32 ASP HB2 3.400 . 5.000 4.460 3.870 5.778 0.778 2 2 "[ + . - . 2]" 1
440 1 31 SER H 1 32 ASP HB3 3.400 . 5.000 4.643 4.080 5.334 0.334 7 0 "[ . 1 . 2]" 1
441 1 31 SER H 1 35 ILE MD 3.900 . 6.000 4.441 2.955 6.049 0.049 1 0 "[ . 1 . 2]" 1
442 1 30 ARG HA 1 32 ASP H 3.400 . 5.000 3.506 2.775 4.605 . 0 0 "[ . 1 . 2]" 1
443 1 31 SER HA 1 32 ASP H 2.650 . 3.500 3.155 2.547 3.501 0.001 1 0 "[ . 1 . 2]" 1
444 1 32 ASP H 1 32 ASP HB2 2.650 . 3.500 2.832 2.358 3.565 0.065 2 0 "[ . 1 . 2]" 1
445 1 32 ASP H 1 32 ASP HB3 2.650 . 3.500 2.678 2.303 3.586 0.086 7 0 "[ . 1 . 2]" 1
446 1 32 ASP H 1 35 ILE MG 3.150 . 4.500 4.227 2.572 4.762 0.262 11 0 "[ . 1 . 2]" 1
447 1 32 ASP HA 1 33 GLN H 2.200 . 2.600 2.636 2.567 2.692 0.092 14 0 "[ . 1 . 2]" 1
448 1 32 ASP HB2 1 33 GLN H 3.400 . 5.000 3.460 1.993 3.715 . 0 0 "[ . 1 . 2]" 1
449 1 32 ASP HB3 1 33 GLN H 3.400 . 5.000 2.927 1.820 3.487 . 0 0 "[ . 1 . 2]" 1
450 1 32 ASP HA 1 34 HIS H 3.400 . 5.000 4.600 4.035 5.149 0.149 11 0 "[ . 1 . 2]" 1
451 1 33 GLN QB 1 34 HIS H 3.400 . 5.000 3.853 3.450 4.078 . 0 0 "[ . 1 . 2]" 1
452 1 34 HIS H 1 35 ILE MG 3.900 . 6.000 3.586 2.732 5.304 . 0 0 "[ . 1 . 2]" 1
453 1 33 GLN HA 1 35 ILE H 3.400 . 5.000 3.822 3.155 4.504 . 0 0 "[ . 1 . 2]" 1
454 1 34 HIS HA 1 35 ILE H 2.650 . 3.500 3.430 3.348 3.523 0.023 10 0 "[ . 1 . 2]" 1
455 1 35 ILE H 1 35 ILE MG 3.150 . 4.500 2.540 1.906 3.813 . 0 0 "[ . 1 . 2]" 1
456 1 35 ILE H 1 35 ILE MD 2.700 . 3.600 2.560 1.702 3.692 0.098 4 0 "[ . 1 . 2]" 1
457 1 35 ILE MG 1 36 GLN H 3.900 . 6.000 4.193 3.437 4.469 . 0 0 "[ . 1 . 2]" 1
458 1 35 ILE MD 1 36 GLN H 3.150 . 4.500 3.900 3.007 4.744 0.244 6 0 "[ . 1 . 2]" 1
459 1 36 GLN HA 1 37 LEU H 2.200 . 2.600 2.171 2.092 2.243 . 0 0 "[ . 1 . 2]" 1
460 1 37 LEU H 1 37 LEU HG 2.200 . 2.600 2.286 1.973 2.660 0.060 17 0 "[ . 1 . 2]" 1
461 1 37 LEU H 1 37 LEU MD1 3.900 . 6.000 3.543 2.368 4.014 . 0 0 "[ . 1 . 2]" 1
462 1 37 LEU H 1 37 LEU MD2 3.900 . 6.000 2.585 1.799 3.781 0.001 17 0 "[ . 1 . 2]" 1
463 1 37 LEU HA 1 38 GLN H 2.200 . 2.600 2.211 2.132 2.365 . 0 0 "[ . 1 . 2]" 1
464 1 37 LEU HB3 1 38 GLN H 2.650 . 3.500 3.780 3.597 4.082 0.582 20 3 "[ . 1 . -*+]" 1
465 1 37 LEU HB2 1 38 GLN H 2.650 . 3.500 2.884 2.731 3.179 . 0 0 "[ . 1 . 2]" 1
466 1 38 GLN H 1 38 GLN QB 2.200 . 2.600 2.324 2.139 2.659 0.059 14 0 "[ . 1 . 2]" 1
467 1 38 GLN H 1 49 ILE HA 3.400 . 5.000 4.892 4.613 5.057 0.057 3 0 "[ . 1 . 2]" 1
468 1 38 GLN H 1 49 ILE MG 3.900 . 6.000 4.448 4.134 4.751 . 0 0 "[ . 1 . 2]" 1
469 1 38 GLN H 1 52 THR MG 3.900 . 6.000 4.954 3.014 5.587 . 0 0 "[ . 1 . 2]" 1
470 1 38 GLN HA 1 39 LEU H 2.200 . 2.600 2.126 2.068 2.164 . 0 0 "[ . 1 . 2]" 1
471 1 39 LEU H 1 40 SER H 3.400 . 5.000 4.063 3.956 4.379 . 0 0 "[ . 1 . 2]" 1
472 1 39 LEU HA 1 40 SER HA 3.400 . 5.000 4.387 4.359 4.417 . 0 0 "[ . 1 . 2]" 1
473 1 39 LEU HA 1 50 LYS H 2.650 . 3.500 3.462 3.147 3.654 0.154 13 0 "[ . 1 . 2]" 1
474 1 39 LEU HA 1 40 SER H 2.200 . 2.600 2.168 2.125 2.220 . 0 0 "[ . 1 . 2]" 1
475 1 40 SER H 1 47 VAL HB 3.400 . 5.000 4.671 4.230 4.949 . 0 0 "[ . 1 . 2]" 1
476 1 40 SER H 1 47 VAL MG2 3.900 . 6.000 5.793 5.401 6.014 0.014 13 0 "[ . 1 . 2]" 1
477 1 40 SER H 1 49 ILE HA 3.400 . 5.000 4.157 3.679 4.490 . 0 0 "[ . 1 . 2]" 1
478 1 40 SER HA 1 41 ALA H 2.200 . 2.600 2.390 2.298 2.640 0.040 16 0 "[ . 1 . 2]" 1
479 1 40 SER HB2 1 41 ALA H 3.400 . 5.000 3.481 2.392 4.017 . 0 0 "[ . 1 . 2]" 1
480 1 40 SER HB3 1 41 ALA H 3.400 . 5.000 2.845 2.271 3.803 . 0 0 "[ . 1 . 2]" 1
481 1 41 ALA H 1 41 ALA MB 2.700 . 3.600 2.417 2.379 2.448 . 0 0 "[ . 1 . 2]" 1
482 1 41 ALA H 1 47 VAL HA 3.400 . 5.000 4.671 4.421 4.947 . 0 0 "[ . 1 . 2]" 1
483 1 41 ALA H 1 47 VAL MG1 3.900 . 6.000 4.252 3.695 5.136 . 0 0 "[ . 1 . 2]" 1
484 1 41 ALA HA 1 42 GLU H 2.200 . 2.600 2.176 2.095 2.221 . 0 0 "[ . 1 . 2]" 1
485 1 41 ALA MB 1 42 GLU H 2.700 . 3.600 3.370 2.790 3.478 . 0 0 "[ . 1 . 2]" 1
486 1 42 GLU H 1 46 GLU H 3.400 . 5.000 4.907 4.368 5.155 0.155 12 0 "[ . 1 . 2]" 1
487 1 42 GLU H 1 46 GLU QG 3.400 . 5.000 4.162 3.159 4.982 . 0 0 "[ . 1 . 2]" 1
488 1 42 GLU H 1 47 VAL HA 2.650 . 3.500 3.111 2.731 3.550 0.050 16 0 "[ . 1 . 2]" 1
489 1 42 GLU H 1 47 VAL MG1 3.900 . 6.000 4.265 2.551 4.739 . 0 0 "[ . 1 . 2]" 1
490 1 42 GLU HB2 1 77 LEU MD2 5.470 . 9.140 6.080 4.153 8.670 . 0 0 "[ . 1 . 2]" 1
491 1 41 ALA HA 1 43 SER H 3.400 . 5.000 4.129 3.756 5.069 0.069 16 0 "[ . 1 . 2]" 1
492 1 41 ALA MB 1 43 SER H 3.150 . 4.500 4.415 4.137 4.785 0.285 20 0 "[ . 1 . 2]" 1
493 1 42 GLU HA 1 43 SER H 2.650 . 3.500 3.454 2.019 3.576 0.076 14 0 "[ . 1 . 2]" 1
494 1 42 GLU HB2 1 43 SER H 3.400 . 5.000 3.441 2.584 4.211 . 0 0 "[ . 1 . 2]" 1
495 1 42 GLU HB3 1 43 SER H 3.400 . 5.000 3.143 2.157 4.383 . 0 0 "[ . 1 . 2]" 1
496 1 42 GLU HG2 1 43 SER H 3.400 . 5.000 4.488 3.158 5.201 0.201 18 0 "[ . 1 . 2]" 1
497 1 42 GLU HG3 1 43 SER H 3.400 . 5.000 4.406 2.544 5.579 0.579 16 1 "[ . 1 .+ 2]" 1
498 1 43 SER H 1 43 SER HB3 2.650 . 3.500 3.624 2.454 3.816 0.316 14 0 "[ . 1 . 2]" 1
499 1 43 SER H 1 43 SER HB2 2.650 . 3.500 2.675 2.463 2.948 . 0 0 "[ . 1 . 2]" 1
500 1 43 SER H 1 46 GLU HA 3.400 . 5.000 5.259 5.082 5.477 0.477 15 0 "[ . 1 . 2]" 1
501 1 43 SER H 1 46 GLU HB2 3.400 . 5.000 3.958 2.362 5.041 0.041 5 0 "[ . 1 . 2]" 1
502 1 43 SER H 1 46 GLU HB3 3.400 . 5.000 4.538 2.258 5.498 0.498 15 0 "[ . 1 . 2]" 1
503 1 43 SER H 1 47 VAL HA 3.400 . 5.000 4.601 4.324 5.017 0.017 16 0 "[ . 1 . 2]" 1
504 1 43 SER HA 1 44 VAL MG1 3.900 . 6.000 4.681 3.849 6.055 0.055 16 0 "[ . 1 . 2]" 1
505 1 43 SER HA 1 44 VAL H 2.200 . 2.600 2.526 2.298 3.500 0.900 16 1 "[ . 1 .+ 2]" 1
506 1 43 SER HB3 1 44 VAL H 2.650 . 3.500 2.512 1.966 3.422 . 0 0 "[ . 1 . 2]" 1
507 1 44 VAL H 1 44 VAL HB 2.650 . 3.500 2.860 2.556 3.611 0.111 20 0 "[ . 1 . 2]" 1
508 1 43 SER HA 1 45 GLY H 3.650 . 5.500 5.537 4.936 5.641 0.141 17 0 "[ . 1 . 2]" 1
509 1 44 VAL HA 1 45 GLY H 2.200 . 2.600 2.128 2.078 2.179 . 0 0 "[ . 1 . 2]" 1
510 1 44 VAL HB 1 45 GLY H 3.400 . 5.000 4.133 3.541 4.403 . 0 0 "[ . 1 . 2]" 1
511 1 44 VAL MG1 1 45 GLY H 3.900 . 6.000 3.659 2.869 4.224 . 0 0 "[ . 1 . 2]" 1
512 1 44 VAL MG2 1 45 GLY H 3.900 . 6.000 3.770 2.917 4.239 . 0 0 "[ . 1 . 2]" 1
513 1 45 GLY H 1 45 GLY HA2 2.200 . 2.600 2.335 2.266 2.403 . 0 0 "[ . 1 . 2]" 1
514 1 45 GLY H 1 46 GLU HA 3.400 . 5.000 5.121 5.007 5.466 0.466 16 0 "[ . 1 . 2]" 1
515 1 41 ALA MB 1 46 GLU H 3.900 . 6.000 4.584 4.035 6.116 0.116 16 0 "[ . 1 . 2]" 1
516 1 43 SER HA 1 46 GLU H 3.400 . 5.000 4.880 4.774 5.028 0.028 15 0 "[ . 1 . 2]" 1
517 1 43 SER HB3 1 46 GLU H 3.400 . 5.000 4.478 3.643 4.695 . 0 0 "[ . 1 . 2]" 1
518 1 44 VAL HA 1 46 GLU H 3.400 . 5.000 3.758 3.528 4.304 . 0 0 "[ . 1 . 2]" 1
519 1 45 GLY HA3 1 46 GLU H 2.650 . 3.500 3.140 2.858 3.582 0.082 16 0 "[ . 1 . 2]" 1
520 1 45 GLY HA2 1 46 GLU H 2.650 . 3.500 3.407 3.033 3.531 0.031 14 0 "[ . 1 . 2]" 1
521 1 46 GLU H 1 46 GLU HB2 2.650 . 3.500 3.335 2.232 3.782 0.282 19 0 "[ . 1 . 2]" 1
522 1 46 GLU H 1 46 GLU QG 2.650 . 3.500 2.320 1.675 4.012 0.512 3 1 "[ + . 1 . 2]" 1
523 1 46 GLU H 1 47 VAL QG 4.400 . 7.000 4.521 4.129 4.784 . 0 0 "[ . 1 . 2]" 1
524 1 46 GLU H 1 79 LEU HA 3.650 . 5.500 4.891 4.555 5.069 . 0 0 "[ . 1 . 2]" 1
525 1 46 GLU HA 1 47 VAL MG1 3.900 . 6.000 3.802 3.465 4.100 . 0 0 "[ . 1 . 2]" 1
526 1 46 GLU HA 1 47 VAL H 2.200 . 2.600 2.125 2.074 2.189 . 0 0 "[ . 1 . 2]" 1
527 1 46 GLU HB2 1 47 VAL H 2.650 . 3.500 3.269 2.534 4.328 0.828 3 1 "[ + . 1 . 2]" 1
528 1 46 GLU HB3 1 47 VAL H 2.650 . 3.500 3.625 2.913 4.294 0.794 10 4 "[ * +* .- 2]" 1
529 1 46 GLU QG 1 47 VAL H 3.400 . 5.000 3.924 2.394 4.688 . 0 0 "[ . 1 . 2]" 1
530 1 47 VAL H 1 47 VAL MG2 2.700 . 3.600 2.079 2.001 2.215 . 0 0 "[ . 1 . 2]" 1
531 1 47 VAL H 1 47 VAL MG1 3.150 . 4.500 2.960 2.775 3.157 . 0 0 "[ . 1 . 2]" 1
532 1 47 VAL H 1 77 LEU MD1 3.900 . 6.000 5.378 3.923 6.057 0.057 5 0 "[ . 1 . 2]" 1
533 1 47 VAL H 1 77 LEU MD2 3.900 . 6.000 4.927 3.014 6.096 0.096 12 0 "[ . 1 . 2]" 1
534 1 47 VAL H 1 79 LEU HA 3.400 . 5.000 3.312 2.975 3.701 . 0 0 "[ . 1 . 2]" 1
535 1 47 VAL H 1 79 LEU HG 4.400 . 7.000 5.620 5.050 6.223 . 0 0 "[ . 1 . 2]" 1
536 1 41 ALA HA 1 48 TYR H 2.650 . 3.500 3.293 3.095 4.268 0.768 16 1 "[ . 1 .+ 2]" 1
537 1 41 ALA MB 1 48 TYR H 3.900 . 6.000 4.595 4.428 5.299 . 0 0 "[ . 1 . 2]" 1
538 1 47 VAL HA 1 48 TYR H 2.200 . 2.600 2.220 2.188 2.281 . 0 0 "[ . 1 . 2]" 1
539 1 47 VAL HB 1 48 TYR H 2.200 . 2.600 2.734 2.686 2.789 0.189 16 0 "[ . 1 . 2]" 1
540 1 47 VAL MG2 1 48 TYR H 3.900 . 6.000 3.779 3.657 3.871 . 0 0 "[ . 1 . 2]" 1
541 1 47 VAL MG1 1 48 TYR H 3.150 . 4.500 3.628 3.438 3.750 . 0 0 "[ . 1 . 2]" 1
542 1 48 TYR H 1 48 TYR QB 2.650 . 3.500 2.484 2.396 2.548 . 0 0 "[ . 1 . 2]" 1
543 1 48 TYR H 1 48 TYR QE 4.500 . 7.200 6.319 5.555 6.422 . 0 0 "[ . 1 . 2]" 1
544 1 48 TYR HA 1 49 ILE H 2.200 . 2.600 2.110 2.054 2.210 . 0 0 "[ . 1 . 2]" 1
545 1 48 TYR QB 1 49 ILE H 2.650 . 3.500 3.706 3.350 3.789 0.289 18 0 "[ . 1 . 2]" 1
546 1 48 TYR QD 1 49 ILE H 3.750 . 5.700 2.981 1.878 3.820 . 0 0 "[ . 1 . 2]" 1
547 1 49 ILE H 1 49 ILE HB 2.650 . 3.500 2.558 2.446 2.663 . 0 0 "[ . 1 . 2]" 1
548 1 49 ILE H 1 49 ILE MG 3.150 . 4.500 3.804 3.751 3.850 . 0 0 "[ . 1 . 2]" 1
549 1 49 ILE H 1 49 ILE MD 3.900 . 6.000 3.610 2.006 4.073 . 0 0 "[ . 1 . 2]" 1
550 1 49 ILE H 1 78 PHE QD 4.500 . 7.200 5.348 4.750 5.952 . 0 0 "[ . 1 . 2]" 1
551 1 49 ILE HB 1 78 PHE QD 4.500 . 7.200 4.889 4.132 5.779 . 0 0 "[ . 1 . 2]" 1
552 1 49 ILE H 1 50 LYS H 3.400 . 5.000 4.183 4.107 4.346 . 0 0 "[ . 1 . 2]" 1
553 1 49 ILE HA 1 50 LYS H 2.200 . 2.600 2.124 2.064 2.193 . 0 0 "[ . 1 . 2]" 1
554 1 49 ILE HB 1 50 LYS H 3.400 . 5.000 4.343 4.230 4.423 . 0 0 "[ . 1 . 2]" 1
555 1 49 ILE MD 1 50 LYS H 3.900 . 6.000 5.162 3.722 5.480 . 0 0 "[ . 1 . 2]" 1
556 1 50 LYS HA 1 51 SER H 2.200 . 2.600 2.250 2.181 2.308 . 0 0 "[ . 1 . 2]" 1
557 1 51 SER H 1 55 GLY H 3.400 . 5.000 4.909 4.718 5.137 0.137 18 0 "[ . 1 . 2]" 1
558 1 51 SER H 1 55 GLY HA3 3.400 . 5.000 4.976 4.630 5.179 0.179 19 0 "[ . 1 . 2]" 1
559 1 37 LEU HA 1 52 THR H 2.650 . 3.500 2.692 2.422 2.936 . 0 0 "[ . 1 . 2]" 1
560 1 51 SER HA 1 52 THR H 2.200 . 2.600 2.154 2.104 2.208 . 0 0 "[ . 1 . 2]" 1
561 1 52 THR H 1 52 THR HB 2.650 . 3.500 2.737 2.523 3.603 0.103 8 0 "[ . 1 . 2]" 1
562 1 52 THR H 1 52 THR MG 2.700 . 3.600 3.651 2.633 3.766 0.166 20 0 "[ . 1 . 2]" 1
563 1 52 THR H 1 53 GLU H 2.650 . 3.500 3.409 3.282 3.465 . 0 0 "[ . 1 . 2]" 1
564 1 51 SER HA 1 53 GLU H 3.400 . 5.000 5.222 5.132 5.308 0.308 3 0 "[ . 1 . 2]" 1
565 1 52 THR HA 1 53 GLU H 2.650 . 3.500 3.462 3.436 3.488 . 0 0 "[ . 1 . 2]" 1
566 1 52 THR MG 1 53 GLU H 3.900 . 6.000 2.498 2.106 3.624 . 0 0 "[ . 1 . 2]" 1
567 1 53 GLU H 1 53 GLU HB2 2.650 . 3.500 2.673 2.264 3.671 0.171 10 0 "[ . 1 . 2]" 1
568 1 53 GLU H 1 53 GLU HB3 2.650 . 3.500 2.996 2.509 3.720 0.220 7 0 "[ . 1 . 2]" 1
569 1 53 GLU H 1 54 THR MG 3.900 . 6.000 4.936 3.631 5.816 . 0 0 "[ . 1 . 2]" 1
570 1 53 GLU H 1 55 GLY H 3.400 . 5.000 3.847 3.585 4.009 . 0 0 "[ . 1 . 2]" 1
571 1 53 GLU HB2 1 54 THR H 3.400 . 5.000 3.250 2.299 3.846 . 0 0 "[ . 1 . 2]" 1
572 1 53 GLU HB3 1 54 THR H 3.400 . 5.000 2.816 2.226 4.009 . 0 0 "[ . 1 . 2]" 1
573 1 54 THR H 1 54 THR MG 3.150 . 4.500 3.199 2.024 3.878 . 0 0 "[ . 1 . 2]" 1
574 1 54 THR H 1 55 GLY HA2 3.400 . 5.000 4.179 3.810 4.461 . 0 0 "[ . 1 . 2]" 1
575 1 52 THR HA 1 55 GLY H 3.400 . 5.000 4.815 4.586 4.979 . 0 0 "[ . 1 . 2]" 1
576 1 54 THR HA 1 55 GLY H 2.650 . 3.500 3.080 3.035 3.127 . 0 0 "[ . 1 . 2]" 1
577 1 55 GLY H 1 55 GLY HA3 2.200 . 2.600 2.367 2.345 2.383 . 0 0 "[ . 1 . 2]" 1
578 1 55 GLY H 1 56 GLN H 2.650 . 3.500 2.614 2.458 2.854 . 0 0 "[ . 1 . 2]" 1
579 1 55 GLY HA3 1 56 GLN H 2.650 . 3.500 3.022 2.893 3.164 . 0 0 "[ . 1 . 2]" 1
580 1 55 GLY HA2 1 56 GLN H 2.650 . 3.500 3.572 3.529 3.631 0.131 12 0 "[ . 1 . 2]" 1
581 1 56 GLN H 1 56 GLN QE 3.900 . 6.000 5.577 4.966 6.160 0.160 8 0 "[ . 1 . 2]" 1
582 1 56 GLN HA 1 57 TYR H 2.200 . 2.600 2.158 2.072 2.335 . 0 0 "[ . 1 . 2]" 1
583 1 57 TYR H 1 57 TYR QB 2.650 . 3.500 2.422 2.309 2.703 . 0 0 "[ . 1 . 2]" 1
584 1 57 TYR H 1 57 TYR QE 4.500 . 7.200 5.799 4.193 6.404 . 0 0 "[ . 1 . 2]" 1
585 1 49 ILE MG 1 58 LEU H 3.150 . 4.500 3.966 3.298 4.565 0.065 18 0 "[ . 1 . 2]" 1
586 1 50 LYS HA 1 58 LEU H 3.400 . 5.000 4.949 4.640 5.157 0.157 14 0 "[ . 1 . 2]" 1
587 1 57 TYR HA 1 58 LEU H 2.200 . 2.600 2.366 2.110 2.506 . 0 0 "[ . 1 . 2]" 1
588 1 57 TYR QB 1 58 LEU H 3.400 . 5.000 3.996 3.844 4.077 . 0 0 "[ . 1 . 2]" 1
589 1 57 TYR QD 1 58 LEU H 4.500 . 7.200 4.262 3.419 4.963 . 0 0 "[ . 1 . 2]" 1
590 1 58 LEU H 1 58 LEU HB2 2.650 . 3.500 2.324 2.097 3.558 0.058 18 0 "[ . 1 . 2]" 1
591 1 58 LEU H 1 58 LEU HB3 2.650 . 3.500 3.114 2.759 3.405 . 0 0 "[ . 1 . 2]" 1
592 1 58 LEU H 1 58 LEU HG 2.850 . 3.900 3.717 1.561 4.112 0.239 5 0 "[ . 1 . 2]" 1
593 1 58 LEU H 1 59 ALA H 3.400 . 5.000 4.338 4.023 4.566 . 0 0 "[ . 1 . 2]" 1
594 1 24 VAL MG1 1 59 ALA H 3.900 . 6.000 5.113 4.012 6.512 0.512 2 1 "[ + . 1 . 2]" 1
595 1 58 LEU HA 1 59 ALA H 2.200 . 2.600 1.994 1.886 2.142 . 0 0 "[ . 1 . 2]" 1
596 1 58 LEU HB2 1 59 ALA H 3.400 . 5.000 4.255 3.620 4.449 . 0 0 "[ . 1 . 2]" 1
597 1 58 LEU HB3 1 59 ALA H 3.400 . 5.000 3.703 3.222 4.261 . 0 0 "[ . 1 . 2]" 1
598 1 58 LEU HG 1 59 ALA H 2.650 . 3.500 3.656 3.262 4.581 1.081 18 2 "[ - 1 . + 2]" 1
599 1 59 ALA H 1 59 ALA MB 2.700 . 3.600 2.486 2.320 2.616 . 0 0 "[ . 1 . 2]" 1
600 1 59 ALA H 1 60 MET H 3.400 . 5.000 4.060 3.777 4.242 . 0 0 "[ . 1 . 2]" 1
601 1 59 ALA H 1 66 LEU HA 3.400 . 5.000 4.710 4.319 5.074 0.074 18 0 "[ . 1 . 2]" 1
602 1 59 ALA H 1 67 TYR QD 4.500 . 7.200 4.780 4.047 5.165 . 0 0 "[ . 1 . 2]" 1
603 1 59 ALA HA 1 60 MET H 2.200 . 2.600 2.187 2.128 2.263 . 0 0 "[ . 1 . 2]" 1
604 1 59 ALA MB 1 60 MET H 2.700 . 3.600 3.379 3.146 3.538 . 0 0 "[ . 1 . 2]" 1
605 1 60 MET H 1 60 MET HG2 3.400 . 5.000 3.810 2.051 4.622 . 0 0 "[ . 1 . 2]" 1
606 1 60 MET H 1 60 MET HG3 3.400 . 5.000 3.797 2.188 4.549 . 0 0 "[ . 1 . 2]" 1
607 1 60 MET H 1 67 TYR QD 4.500 . 7.200 6.236 5.410 6.854 . 0 0 "[ . 1 . 2]" 1
608 1 60 MET H 1 67 TYR QE 4.500 . 7.200 6.318 5.602 7.212 0.012 13 0 "[ . 1 . 2]" 1
609 1 60 MET H 1 75 GLU HB2 3.400 . 5.000 2.851 2.164 3.345 . 0 0 "[ . 1 . 2]" 1
610 1 60 MET H 1 76 CYS HA 2.650 . 3.500 3.688 3.531 3.905 0.405 12 0 "[ . 1 . 2]" 1
611 1 60 MET H 1 78 PHE HZ 3.400 . 5.000 4.650 3.895 5.134 0.134 16 0 "[ . 1 . 2]" 1
612 1 59 ALA MB 1 61 ASP H 3.900 . 6.000 4.950 4.631 5.271 . 0 0 "[ . 1 . 2]" 1
613 1 60 MET HA 1 61 ASP H 2.200 . 2.600 2.202 2.134 2.264 . 0 0 "[ . 1 . 2]" 1
614 1 61 ASP H 1 61 ASP QB 2.650 . 3.500 2.480 2.301 2.927 . 0 0 "[ . 1 . 2]" 1
615 1 61 ASP H 1 63 ASP H 3.400 . 5.000 3.423 2.809 4.149 . 0 0 "[ . 1 . 2]" 1
616 1 61 ASP H 1 66 LEU HA 3.400 . 5.000 2.972 2.418 3.642 . 0 0 "[ . 1 . 2]" 1
617 1 61 ASP H 1 67 TYR QD 3.750 . 5.700 4.009 3.597 4.364 . 0 0 "[ . 1 . 2]" 1
618 1 61 ASP H 1 67 TYR QE 3.750 . 5.700 4.216 3.316 4.831 . 0 0 "[ . 1 . 2]" 1
619 1 61 ASP HA 1 62 THR H 2.650 . 3.500 2.066 1.957 2.314 . 0 0 "[ . 1 . 2]" 1
620 1 61 ASP QB 1 62 THR H 2.200 . 2.600 3.693 3.380 3.962 1.362 2 20 [*+**************-***] 1
621 1 62 THR H 1 62 THR HB 2.650 . 3.500 3.753 3.129 3.983 0.483 5 0 "[ . 1 . 2]" 1
622 1 62 THR H 1 62 THR MG 2.800 . 3.800 3.362 2.526 4.007 0.207 6 0 "[ . 1 . 2]" 1
623 1 62 THR H 1 64 GLY H 3.400 . 5.000 4.680 4.368 4.983 . 0 0 "[ . 1 . 2]" 1
624 1 62 THR H 1 67 TYR QD 4.500 . 7.200 7.032 6.229 7.419 0.219 20 0 "[ . 1 . 2]" 1
625 1 62 THR H 1 67 TYR QE 4.500 . 7.200 5.920 4.743 6.647 . 0 0 "[ . 1 . 2]" 1
626 1 61 ASP QB 1 63 ASP H 3.400 . 5.000 4.068 3.646 4.724 . 0 0 "[ . 1 . 2]" 1
627 1 62 THR HB 1 63 ASP H 3.400 . 5.000 3.245 1.796 4.379 0.004 11 0 "[ . 1 . 2]" 1
628 1 62 THR MG 1 63 ASP H 3.900 . 6.000 3.600 1.788 4.213 0.012 10 0 "[ . 1 . 2]" 1
629 1 63 ASP H 1 64 GLY H 3.400 . 5.000 1.869 1.476 2.346 0.324 2 0 "[ . 1 . 2]" 1
630 1 63 ASP H 1 64 GLY HA3 3.400 . 5.000 4.156 3.536 4.696 . 0 0 "[ . 1 . 2]" 1
631 1 63 ASP H 1 64 GLY HA2 3.400 . 5.000 4.588 4.102 5.030 0.030 13 0 "[ . 1 . 2]" 1
632 1 63 ASP H 1 100 TRP HZ3 3.400 . 5.000 3.922 3.466 4.926 . 0 0 "[ . 1 . 2]" 1
633 1 63 ASP H 1 100 TRP HH2 3.400 . 5.000 5.395 5.136 6.645 1.645 18 2 "[ . 1 - . + 2]" 1
634 1 62 THR HA 1 64 GLY H 3.400 . 5.000 4.664 4.281 5.080 0.080 12 0 "[ . 1 . 2]" 1
635 1 62 THR HB 1 64 GLY H 3.650 . 5.500 3.580 2.562 4.788 . 0 0 "[ . 1 . 2]" 1
636 1 62 THR MG 1 64 GLY H 3.900 . 6.000 3.943 2.200 4.700 . 0 0 "[ . 1 . 2]" 1
637 1 63 ASP HA 1 64 GLY H 2.650 . 3.500 3.048 2.907 3.242 . 0 0 "[ . 1 . 2]" 1
638 1 64 GLY H 1 64 GLY HA3 2.200 . 2.600 2.399 2.344 2.475 . 0 0 "[ . 1 . 2]" 1
639 1 64 GLY H 1 100 TRP HE3 3.400 . 5.000 4.976 4.228 5.142 0.142 12 0 "[ . 1 . 2]" 1
640 1 64 GLY H 1 100 TRP HZ3 2.650 . 3.500 3.216 2.793 3.514 0.014 18 0 "[ . 1 . 2]" 1
641 1 64 GLY H 1 100 TRP HH2 3.400 . 5.000 4.484 3.485 5.077 0.077 11 0 "[ . 1 . 2]" 1
642 1 64 GLY H 1 113 GLY HA3 3.400 . 5.000 4.622 4.129 5.260 0.260 8 0 "[ . 1 . 2]" 1
643 1 64 GLY HA3 1 100 TRP HZ3 3.400 . 5.000 3.379 2.791 3.811 . 0 0 "[ . 1 . 2]" 1
644 1 64 GLY HA3 1 113 GLY H 3.400 . 5.000 3.761 2.883 4.217 . 0 0 "[ . 1 . 2]" 1
645 1 64 GLY HA2 1 113 GLY H 2.650 . 3.500 2.833 2.543 3.074 . 0 0 "[ . 1 . 2]" 1
646 1 65 LEU H 1 65 LEU HG 3.400 . 5.000 3.600 2.753 4.747 . 0 0 "[ . 1 . 2]" 1
647 1 65 LEU H 1 65 LEU MD2 3.900 . 6.000 3.667 2.037 4.345 . 0 0 "[ . 1 . 2]" 1
648 1 65 LEU H 1 65 LEU MD1 3.900 . 6.000 4.000 2.278 4.907 . 0 0 "[ . 1 . 2]" 1
649 1 65 LEU H 1 100 TRP HZ3 3.400 . 5.000 5.007 4.678 5.276 0.276 19 0 "[ . 1 . 2]" 1
650 1 65 LEU HA 1 66 LEU H 2.200 . 2.600 2.246 2.087 2.561 . 0 0 "[ . 1 . 2]" 1
651 1 65 LEU HG 1 66 LEU H 3.400 . 5.000 4.181 2.579 5.173 0.173 3 0 "[ . 1 . 2]" 1
652 1 66 LEU H 1 66 LEU HG 2.650 . 3.500 2.938 1.752 3.897 0.397 12 0 "[ . 1 . 2]" 1
653 1 59 ALA MB 1 67 TYR H 3.900 . 6.000 3.657 3.276 4.082 . 0 0 "[ . 1 . 2]" 1
654 1 60 MET HA 1 67 TYR H 2.650 . 3.500 3.549 3.214 3.730 0.230 8 0 "[ . 1 . 2]" 1
655 1 66 LEU HA 1 67 TYR H 2.200 . 2.600 2.136 2.055 2.331 . 0 0 "[ . 1 . 2]" 1
656 1 66 LEU HB2 1 67 TYR H 3.400 . 5.000 3.717 2.959 4.362 . 0 0 "[ . 1 . 2]" 1
657 1 66 LEU HB3 1 67 TYR H 3.400 . 5.000 3.724 3.294 4.081 . 0 0 "[ . 1 . 2]" 1
658 1 66 LEU HG 1 67 TYR H 3.400 . 5.000 5.133 4.792 5.669 0.669 6 2 "[ - .+ 1 . 2]" 1
659 1 67 TYR H 1 67 TYR QE 4.500 . 7.200 4.192 3.782 5.047 . 0 0 "[ . 1 . 2]" 1
660 1 67 TYR HA 1 68 GLY H 2.200 . 2.600 2.317 2.244 2.393 . 0 0 "[ . 1 . 2]" 1
661 1 67 TYR QD 1 68 GLY H 4.500 . 7.200 3.764 3.341 4.153 . 0 0 "[ . 1 . 2]" 1
662 1 59 ALA MB 1 69 SER H 3.150 . 4.500 4.770 4.539 5.473 0.973 17 1 "[ . 1 . + 2]" 1
663 1 67 TYR QE 1 69 SER H 4.500 . 7.200 5.940 4.683 7.497 0.297 13 0 "[ . 1 . 2]" 1
664 1 69 SER H 1 69 SER QB 2.650 . 3.500 2.838 2.696 2.948 . 0 0 "[ . 1 . 2]" 1
665 1 69 SER HA 1 70 GLN H 2.200 . 2.600 3.590 3.472 3.643 1.043 18 20 [**************-**+**] 1
666 1 70 GLN H 1 71 THR HG1 3.400 . 5.000 4.902 4.056 5.096 0.096 12 0 "[ . 1 . 2]" 1
667 1 69 SER HA 1 71 THR H 3.400 . 5.000 5.189 4.941 5.332 0.332 9 0 "[ . 1 . 2]" 1
668 1 69 SER QB 1 71 THR H 3.400 . 5.000 4.803 4.698 4.955 . 0 0 "[ . 1 . 2]" 1
669 1 70 GLN HA 1 71 THR H 2.650 . 3.500 3.529 3.494 3.553 0.053 5 0 "[ . 1 . 2]" 1
670 1 70 GLN HB2 1 71 THR H 2.650 . 3.500 3.353 2.514 4.044 0.544 10 3 "[ . + . -*2]" 1
671 1 70 GLN HB3 1 71 THR H 2.650 . 3.500 3.311 2.449 4.231 0.731 8 3 "[ . + 1 * -. 2]" 1
672 1 70 GLN HG2 1 71 THR H 3.400 . 5.000 4.261 2.884 5.291 0.291 4 0 "[ . 1 . 2]" 1
673 1 70 GLN HG3 1 71 THR H 3.400 . 5.000 4.279 2.067 5.291 0.291 17 0 "[ . 1 . 2]" 1
674 1 71 THR H 1 71 THR HB 2.650 . 3.500 3.210 2.760 3.708 0.208 6 0 "[ . 1 . 2]" 1
675 1 71 THR H 1 71 THR MG 3.150 . 4.500 3.702 3.138 3.993 . 0 0 "[ . 1 . 2]" 1
676 1 71 THR H 1 71 THR HG1 2.650 . 3.500 3.178 1.851 3.501 0.001 13 0 "[ . 1 . 2]" 1
677 1 48 TYR QE 1 73 ASN H 3.750 . 5.700 5.213 4.151 5.816 0.116 6 0 "[ . 1 . 2]" 1
678 1 72 PRO HA 1 73 ASN H 2.200 . 2.600 2.235 2.143 2.323 . 0 0 "[ . 1 . 2]" 1
679 1 73 ASN H 1 75 GLU HB2 3.400 . 5.000 4.656 4.127 5.103 0.103 5 0 "[ . 1 . 2]" 1
680 1 73 ASN H 1 76 CYS HA 3.400 . 5.000 6.132 5.292 7.187 2.187 5 14 "[ ***+ -** ** .*****]" 1
681 1 73 ASN H 1 76 CYS QB 3.400 . 4.230 4.029 3.097 4.465 0.235 5 0 "[ . 1 . 2]" 1
682 1 48 TYR QE 1 75 GLU H 4.500 . 7.200 5.083 3.976 5.890 . 0 0 "[ . 1 . 2]" 1
683 1 74 GLU HA 1 75 GLU H 2.650 . 3.500 2.022 1.858 2.163 . 0 0 "[ . 1 . 2]" 1
684 1 75 GLU H 1 75 GLU HB2 2.200 . 2.600 2.510 2.414 2.678 0.078 20 0 "[ . 1 . 2]" 1
685 1 75 GLU H 1 75 GLU HG2 2.650 . 3.500 3.642 2.708 4.283 0.783 8 6 "[ * -. + 1 * .* *]" 1
686 1 75 GLU H 1 75 GLU HG3 2.650 . 3.500 3.477 2.762 4.196 0.696 19 8 "[ .* **** . *-+2]" 1
687 1 75 GLU H 1 76 CYS HA 3.400 . 5.000 4.109 3.977 4.225 . 0 0 "[ . 1 . 2]" 1
688 1 48 TYR QD 1 76 CYS H 4.500 . 7.200 5.753 4.797 6.473 . 0 0 "[ . 1 . 2]" 1
689 1 48 TYR QE 1 76 CYS H 4.500 . 7.200 4.889 3.725 5.779 . 0 0 "[ . 1 . 2]" 1
690 1 59 ALA HA 1 76 CYS H 3.400 . 5.000 3.901 3.504 4.428 . 0 0 "[ . 1 . 2]" 1
691 1 74 GLU HA 1 76 CYS H 3.400 . 5.000 2.489 2.222 2.791 . 0 0 "[ . 1 . 2]" 1
692 1 75 GLU HA 1 76 CYS H 2.650 . 3.500 3.428 3.355 3.484 . 0 0 "[ . 1 . 2]" 1
693 1 75 GLU HB2 1 76 CYS H 2.200 . 2.600 2.878 2.661 3.035 0.435 14 0 "[ . 1 . 2]" 1
694 1 75 GLU HB3 1 76 CYS H 3.400 . 5.000 3.948 3.822 4.084 . 0 0 "[ . 1 . 2]" 1
695 1 75 GLU HG2 1 76 CYS H 3.400 . 5.000 4.691 3.911 5.254 0.254 16 0 "[ . 1 . 2]" 1
696 1 75 GLU HG3 1 76 CYS H 3.400 . 5.000 4.532 4.009 5.133 0.133 6 0 "[ . 1 . 2]" 1
697 1 76 CYS H 1 76 CYS QB 2.650 . 3.500 2.415 2.154 2.627 . 0 0 "[ . 1 . 2]" 1
698 1 48 TYR QE 1 77 LEU H 4.500 . 7.200 5.115 3.785 6.280 . 0 0 "[ . 1 . 2]" 1
699 1 74 GLU HA 1 77 LEU H 3.400 . 5.000 3.366 2.849 3.707 . 0 0 "[ . 1 . 2]" 1
700 1 75 GLU HB2 1 77 LEU H 3.400 . 5.000 4.930 4.783 5.026 0.026 18 0 "[ . 1 . 2]" 1
701 1 76 CYS HA 1 77 LEU H 2.650 . 3.500 3.321 2.962 3.466 . 0 0 "[ . 1 . 2]" 1
702 1 76 CYS QB 1 77 LEU H 3.400 . 4.230 3.747 3.019 3.955 . 0 0 "[ . 1 . 2]" 1
703 1 77 LEU H 1 77 LEU HG 3.400 . 5.000 2.668 1.904 4.206 . 0 0 "[ . 1 . 2]" 1
704 1 77 LEU H 1 77 LEU MD1 3.900 . 6.000 3.472 2.276 4.152 . 0 0 "[ . 1 . 2]" 1
705 1 77 LEU H 1 77 LEU MD2 3.900 . 6.000 3.614 2.748 4.358 . 0 0 "[ . 1 . 2]" 1
706 1 77 LEU H 1 78 PHE HA 3.400 . 5.000 5.275 5.191 5.362 0.362 8 0 "[ . 1 . 2]" 1
707 1 77 LEU H 1 78 PHE QE 4.500 . 7.200 4.807 4.373 5.337 . 0 0 "[ . 1 . 2]" 1
708 1 46 GLU HA 1 78 PHE H 3.400 . 5.000 4.804 4.391 5.123 0.123 18 0 "[ . 1 . 2]" 1
709 1 47 VAL MG2 1 78 PHE H 3.150 . 4.500 2.796 2.465 3.100 . 0 0 "[ . 1 . 2]" 1
710 1 47 VAL MG1 1 78 PHE H 3.900 . 6.000 5.192 4.878 5.540 . 0 0 "[ . 1 . 2]" 1
711 1 77 LEU HA 1 78 PHE H 2.200 . 2.600 2.126 2.046 2.211 . 0 0 "[ . 1 . 2]" 1
712 1 77 LEU MD1 1 78 PHE H 3.900 . 6.000 4.236 2.719 5.022 . 0 0 "[ . 1 . 2]" 1
713 1 77 LEU MD2 1 78 PHE H 3.900 . 6.000 4.039 2.165 5.143 . 0 0 "[ . 1 . 2]" 1
714 1 78 PHE H 1 78 PHE QE 4.500 . 7.200 5.003 4.608 5.282 . 0 0 "[ . 1 . 2]" 1
715 1 46 GLU HA 1 79 LEU H 3.400 . 5.000 4.982 4.635 5.233 0.233 13 0 "[ . 1 . 2]" 1
716 1 78 PHE HA 1 79 LEU H 2.200 . 2.600 2.425 2.349 2.512 . 0 0 "[ . 1 . 2]" 1
717 1 78 PHE QD 1 79 LEU H 4.500 . 7.200 4.012 3.602 4.437 . 0 0 "[ . 1 . 2]" 1
718 1 79 LEU H 1 79 LEU HG 3.400 . 5.000 4.524 4.350 4.631 . 0 0 "[ . 1 . 2]" 1
719 1 79 LEU H 1 80 GLU H 3.400 . 5.000 4.522 4.456 4.572 . 0 0 "[ . 1 . 2]" 1
720 1 79 LEU H 1 80 GLU HA 3.400 . 5.000 5.019 4.929 5.172 0.172 20 0 "[ . 1 . 2]" 1
721 1 79 LEU H 1 90 TYR QD 4.500 . 7.200 4.627 3.875 5.389 . 0 0 "[ . 1 . 2]" 1
722 1 79 LEU H 1 91 ILE HB 3.400 . 5.000 3.747 2.487 5.008 0.008 19 0 "[ . 1 . 2]" 1
723 1 79 LEU H 1 91 ILE MG 3.900 . 6.000 2.828 2.194 4.366 . 0 0 "[ . 1 . 2]" 1
724 1 79 LEU H 1 91 ILE MD 3.900 . 6.000 5.183 4.318 5.659 . 0 0 "[ . 1 . 2]" 1
725 1 79 LEU H 1 92 SER HA 3.400 . 5.000 3.993 3.558 4.349 . 0 0 "[ . 1 . 2]" 1
726 1 45 GLY HA3 1 80 GLU H 3.400 . 5.000 4.321 3.435 4.885 . 0 0 "[ . 1 . 2]" 1
727 1 45 GLY HA2 1 80 GLU H 3.400 . 5.000 3.856 3.148 4.485 . 0 0 "[ . 1 . 2]" 1
728 1 46 GLU HA 1 80 GLU H 2.650 . 3.500 3.203 2.723 3.585 0.085 17 0 "[ . 1 . 2]" 1
729 1 47 VAL H 1 80 GLU H 3.400 . 5.000 3.961 3.644 4.403 . 0 0 "[ . 1 . 2]" 1
730 1 47 VAL MG2 1 80 GLU H 3.150 . 4.500 3.609 3.277 4.137 . 0 0 "[ . 1 . 2]" 1
731 1 79 LEU HA 1 80 GLU H 2.200 . 2.600 2.220 2.165 2.261 . 0 0 "[ . 1 . 2]" 1
732 1 79 LEU HG 1 80 GLU H 2.650 . 3.500 2.749 2.360 3.409 . 0 0 "[ . 1 . 2]" 1
733 1 80 GLU H 1 80 GLU QB 2.650 . 2.960 2.366 2.257 2.836 . 0 0 "[ . 1 . 2]" 1
734 1 80 GLU H 1 90 TYR QD 4.500 . 7.200 4.483 3.918 5.650 . 0 0 "[ . 1 . 2]" 1
735 1 80 GLU H 1 90 TYR QE 4.500 . 7.200 5.282 4.419 6.298 . 0 0 "[ . 1 . 2]" 1
736 1 80 GLU HA 1 81 ARG H 2.200 . 2.600 2.112 2.070 2.171 . 0 0 "[ . 1 . 2]" 1
737 1 81 ARG H 1 88 ASN HA 3.400 . 5.000 5.106 4.770 5.206 0.206 6 0 "[ . 1 . 2]" 1
738 1 81 ARG H 1 89 THR HA 3.650 . 5.500 4.884 4.635 5.040 . 0 0 "[ . 1 . 2]" 1
739 1 81 ARG H 1 90 TYR HA 3.400 . 5.000 3.045 2.758 3.440 . 0 0 "[ . 1 . 2]" 1
740 1 81 ARG H 1 90 TYR QD 4.500 . 7.200 3.887 3.376 4.662 . 0 0 "[ . 1 . 2]" 1
741 1 81 ARG H 1 90 TYR QE 4.500 . 7.200 4.784 4.235 5.378 . 0 0 "[ . 1 . 2]" 1
742 1 81 ARG HA 1 82 LEU H 2.650 . 3.500 2.167 2.115 2.218 . 0 0 "[ . 1 . 2]" 1
743 1 82 LEU H 1 82 LEU HB2 2.650 . 3.500 2.942 2.152 3.674 0.174 6 0 "[ . 1 . 2]" 1
744 1 82 LEU H 1 82 LEU HB3 2.650 . 3.500 3.321 2.858 3.657 0.157 1 0 "[ . 1 . 2]" 1
745 1 82 LEU H 1 82 LEU HG 2.650 . 3.500 2.553 1.794 3.578 0.078 3 0 "[ . 1 . 2]" 1
746 1 82 LEU HA 1 83 GLU H 2.200 . 2.600 2.119 2.069 2.196 . 0 0 "[ . 1 . 2]" 1
747 1 82 LEU HB2 1 83 GLU H 3.400 . 5.000 3.991 3.270 4.565 . 0 0 "[ . 1 . 2]" 1
748 1 82 LEU HB3 1 83 GLU H 3.400 . 5.000 3.831 3.293 4.440 . 0 0 "[ . 1 . 2]" 1
749 1 82 LEU HG 1 83 GLU H 3.400 . 5.000 4.918 4.568 5.064 0.064 2 0 "[ . 1 . 2]" 1
750 1 83 GLU H 1 83 GLU HB2 2.650 . 3.500 2.645 2.205 3.834 0.334 19 0 "[ . 1 . 2]" 1
751 1 83 GLU H 1 83 GLU HB3 2.650 . 3.500 2.903 2.291 3.660 0.160 3 0 "[ . 1 . 2]" 1
752 1 83 GLU H 1 88 ASN HA 2.650 . 3.500 3.097 2.416 3.554 0.054 7 0 "[ . 1 . 2]" 1
753 1 83 GLU H 1 89 THR MG 3.900 . 6.000 5.298 4.244 5.941 . 0 0 "[ . 1 . 2]" 1
754 1 84 GLU HA 1 86 HIS H 3.400 . 5.000 3.356 2.544 4.333 . 0 0 "[ . 1 . 2]" 1
755 1 85 ASN HA 1 86 HIS H 2.200 . 2.600 2.802 2.474 2.971 0.371 1 0 "[ . 1 . 2]" 1
756 1 86 HIS H 1 86 HIS HA 2.200 . 2.600 2.459 2.251 2.899 0.299 2 0 "[ . 1 . 2]" 1
757 1 86 HIS H 1 86 HIS HD2 3.400 . 5.000 3.888 2.700 5.047 0.047 19 0 "[ . 1 . 2]" 1
758 1 86 HIS HA 1 87 TYR H 2.650 . 3.500 2.964 2.533 3.564 0.064 2 0 "[ . 1 . 2]" 1
759 1 87 TYR H 1 87 TYR QE 4.500 . 7.200 5.227 4.498 5.733 . 0 0 "[ . 1 . 2]" 1
760 1 87 TYR H 1 88 ASN H 3.400 . 5.000 4.433 4.334 4.623 . 0 0 "[ . 1 . 2]" 1
761 1 87 TYR HA 1 88 ASN H 2.200 . 2.600 2.305 2.232 2.373 . 0 0 "[ . 1 . 2]" 1
762 1 87 TYR QD 1 88 ASN H 3.750 . 5.700 3.414 2.544 4.028 . 0 0 "[ . 1 . 2]" 1
763 1 88 ASN H 1 88 ASN QB 2.650 . 3.500 2.443 2.278 3.112 . 0 0 "[ . 1 . 2]" 1
764 1 88 ASN H 1 88 ASN QD 3.900 . 6.000 4.080 2.313 4.706 . 0 0 "[ . 1 . 2]" 1
765 1 88 ASN H 1 90 TYR QE 4.500 . 7.200 5.830 4.392 6.761 . 0 0 "[ . 1 . 2]" 1
766 1 88 ASN H 1 125 PHE HA 3.400 . 5.000 4.950 4.603 5.104 0.104 15 0 "[ . 1 . 2]" 1
767 1 88 ASN H 1 125 PHE QB 3.400 . 5.000 3.783 3.017 4.883 . 0 0 "[ . 1 . 2]" 1
768 1 88 ASN H 1 126 LEU HA 3.400 . 5.000 3.540 3.070 4.007 . 0 0 "[ . 1 . 2]" 1
769 1 82 LEU HA 1 89 THR H 3.400 . 5.000 2.941 1.780 3.611 0.020 19 0 "[ . 1 . 2]" 1
770 1 88 ASN HA 1 89 THR H 2.200 . 2.600 2.184 2.122 2.256 . 0 0 "[ . 1 . 2]" 1
771 1 88 ASN QB 1 89 THR H . . 2.600 3.023 2.486 3.431 0.831 12 5 "[ .- ** + * 2]" 1
772 1 88 ASN QD 1 89 THR H 3.900 . 6.000 3.846 2.360 5.245 . 0 0 "[ . 1 . 2]" 1
773 1 89 THR H 1 89 THR MG 3.150 . 4.500 3.908 3.871 3.937 . 0 0 "[ . 1 . 2]" 1
774 1 89 THR H 1 90 TYR QD 4.500 . 7.200 4.850 3.978 5.217 . 0 0 "[ . 1 . 2]" 1
775 1 89 THR H 1 90 TYR QE 4.500 . 7.200 5.031 4.139 5.507 . 0 0 "[ . 1 . 2]" 1
776 1 89 THR HA 1 90 TYR H 2.200 . 2.600 2.402 2.275 2.483 . 0 0 "[ . 1 . 2]" 1
777 1 89 THR HB 1 90 TYR H 2.650 . 3.500 3.525 3.336 3.650 0.150 14 0 "[ . 1 . 2]" 1
778 1 89 THR MG 1 90 TYR H 3.900 . 6.000 2.000 1.804 2.200 . 0 0 "[ . 1 . 2]" 1
779 1 90 TYR H 1 91 ILE H 3.400 . 5.000 4.333 4.245 4.430 . 0 0 "[ . 1 . 2]" 1
780 1 90 TYR H 1 101 PHE QD 4.500 . 7.200 4.523 3.679 5.295 . 0 0 "[ . 1 . 2]" 1
781 1 90 TYR H 1 101 PHE QE 4.500 . 7.200 6.305 5.357 7.282 0.082 8 0 "[ . 1 . 2]" 1
782 1 78 PHE QD 1 91 ILE H 4.500 . 7.200 5.151 4.707 5.570 . 0 0 "[ . 1 . 2]" 1
783 1 90 TYR HA 1 91 ILE H 2.200 . 2.600 2.193 2.078 2.318 . 0 0 "[ . 1 . 2]" 1
784 1 90 TYR QD 1 91 ILE H 4.500 . 7.200 3.683 3.308 4.227 . 0 0 "[ . 1 . 2]" 1
785 1 91 ILE H 1 91 ILE HB 2.200 . 2.600 2.605 2.432 2.832 0.232 6 0 "[ . 1 . 2]" 1
786 1 91 ILE H 1 91 ILE QG 2.650 . 3.500 3.552 1.824 4.244 0.744 11 11 "[ **** * *+ ** -*]" 1
787 1 91 ILE H 1 91 ILE MD 3.150 . 4.500 3.872 3.050 4.575 0.075 9 0 "[ . 1 . 2]" 1
788 1 91 ILE H 1 92 SER H 3.400 . 5.000 4.458 4.380 4.537 . 0 0 "[ . 1 . 2]" 1
789 1 78 PHE QD 1 92 SER H 4.500 . 7.200 4.886 4.246 5.557 . 0 0 "[ . 1 . 2]" 1
790 1 78 PHE QE 1 92 SER H 4.500 . 7.200 6.180 5.165 7.317 0.117 16 0 "[ . 1 . 2]" 1
791 1 91 ILE HB 1 92 SER H 3.400 . 5.000 4.035 3.381 4.292 . 0 0 "[ . 1 . 2]" 1
792 1 91 ILE QG 1 92 SER H 3.400 . 5.000 2.992 2.125 4.647 . 0 0 "[ . 1 . 2]" 1
793 1 91 ILE MG 1 92 SER H 3.150 . 4.500 2.645 2.107 3.522 . 0 0 "[ . 1 . 2]" 1
794 1 92 SER H 1 93 LYS H 3.400 . 5.000 4.168 4.039 4.410 . 0 0 "[ . 1 . 2]" 1
795 1 92 SER H 1 100 TRP HB2 3.400 . 5.000 4.601 3.730 5.870 0.870 19 2 "[- . 1 . +2]" 1
796 1 92 SER H 1 101 PHE HA 2.650 . 3.500 2.841 2.269 3.651 0.151 8 0 "[ . 1 . 2]" 1
797 1 78 PHE HA 1 93 LYS H 2.650 . 3.500 2.213 2.038 2.344 . 0 0 "[ . 1 . 2]" 1
798 1 78 PHE QD 1 93 LYS H 4.500 . 7.200 2.337 1.768 3.101 0.032 11 0 "[ . 1 . 2]" 1
799 1 78 PHE QE 1 93 LYS H 4.500 . 7.200 4.364 3.528 5.143 . 0 0 "[ . 1 . 2]" 1
800 1 92 SER HA 1 93 LYS H 2.200 . 2.600 2.130 2.049 2.241 . 0 0 "[ . 1 . 2]" 1
801 1 92 SER HA 1 94 LYS H 3.400 . 5.000 3.335 3.058 3.736 . 0 0 "[ . 1 . 2]" 1
802 1 94 LYS H 1 94 LYS QG 3.400 . 5.000 3.755 1.918 4.097 . 0 0 "[ . 1 . 2]" 1
803 1 94 LYS H 1 95 HIS HA 3.400 . 5.000 5.170 5.076 5.279 0.279 20 0 "[ . 1 . 2]" 1
804 1 92 SER HA 1 95 HIS H 3.400 . 5.000 5.077 4.740 5.336 0.336 2 0 "[ . 1 . 2]" 1
805 1 94 LYS HA 1 95 HIS H 2.650 . 3.500 3.556 3.512 3.583 0.083 6 0 "[ . 1 . 2]" 1
806 1 94 LYS QG 1 95 HIS H 3.400 . 5.000 2.969 1.806 3.883 . 0 0 "[ . 1 . 2]" 1
807 1 95 HIS H 1 95 HIS HE1 3.400 . 5.000 5.031 4.318 5.238 0.238 10 0 "[ . 1 . 2]" 1
808 1 95 HIS HA 1 96 ALA H 2.200 . 2.600 2.749 2.417 3.309 0.709 20 1 "[ . 1 . +]" 1
809 1 95 HIS HA 1 97 GLU H 3.400 . 5.000 3.401 2.863 4.436 . 0 0 "[ . 1 . 2]" 1
810 1 97 GLU H 1 97 GLU HG2 3.400 . 5.000 3.450 1.917 4.588 . 0 0 "[ . 1 . 2]" 1
811 1 97 GLU H 1 97 GLU HG3 3.400 . 5.000 3.417 1.595 4.556 0.205 4 0 "[ . 1 . 2]" 1
812 1 95 HIS HA 1 98 LYS H 3.400 . 5.000 3.790 3.265 4.535 . 0 0 "[ . 1 . 2]" 1
813 1 97 GLU HA 1 98 LYS H 2.650 . 3.500 3.478 3.356 3.532 0.032 12 0 "[ . 1 . 2]" 1
814 1 97 GLU HG2 1 98 LYS H 3.400 . 5.000 4.285 2.127 5.614 0.614 17 1 "[ . 1 . + 2]" 1
815 1 97 GLU HG3 1 98 LYS H 3.400 . 5.000 4.039 2.121 5.178 0.178 3 0 "[ . 1 . 2]" 1
816 1 98 LYS H 1 98 LYS HB3 2.650 . 3.500 3.335 2.513 3.668 0.168 11 0 "[ . 1 . 2]" 1
817 1 98 LYS H 1 98 LYS HB2 2.200 . 2.600 2.447 2.188 2.776 0.176 12 0 "[ . 1 . 2]" 1
818 1 98 LYS H 1 98 LYS QE 3.400 . 5.000 4.208 2.751 4.725 . 0 0 "[ . 1 . 2]" 1
819 1 98 LYS H 1 99 ASN HA 3.400 . 5.000 4.588 4.488 4.688 . 0 0 "[ . 1 . 2]" 1
820 1 91 ILE MG 1 99 ASN H 3.900 . 6.000 5.170 4.069 6.007 0.007 3 0 "[ . 1 . 2]" 1
821 1 96 ALA HA 1 99 ASN H 3.400 . 5.000 3.555 3.221 4.197 . 0 0 "[ . 1 . 2]" 1
822 1 97 GLU HA 1 99 ASN H 3.400 . 5.000 3.916 3.510 4.215 . 0 0 "[ . 1 . 2]" 1
823 1 98 LYS HB3 1 99 ASN H 3.400 . 5.000 3.924 3.422 4.277 . 0 0 "[ . 1 . 2]" 1
824 1 98 LYS HB2 1 99 ASN H 2.650 . 3.500 3.680 3.384 4.290 0.790 12 5 "[ .* * + *- 2]" 1
825 1 99 ASN H 1 99 ASN HA 2.200 . 2.600 2.274 2.264 2.284 . 0 0 "[ . 1 . 2]" 1
826 1 99 ASN H 1 99 ASN QD 3.900 . 6.000 4.215 2.237 5.398 . 0 0 "[ . 1 . 2]" 1
827 1 91 ILE MG 1 100 TRP H 3.900 . 6.000 5.010 3.664 6.022 0.022 2 0 "[ . 1 . 2]" 1
828 1 98 LYS HB3 1 100 TRP H 3.400 . 5.000 3.793 3.026 4.423 . 0 0 "[ . 1 . 2]" 1
829 1 98 LYS HB2 1 100 TRP H 3.400 . 5.000 3.814 3.207 4.761 . 0 0 "[ . 1 . 2]" 1
830 1 99 ASN HA 1 100 TRP H 2.650 . 3.500 3.051 2.951 3.217 . 0 0 "[ . 1 . 2]" 1
831 1 100 TRP H 1 100 TRP HB2 2.200 . 2.600 2.276 2.073 2.801 0.201 20 0 "[ . 1 . 2]" 1
832 1 100 TRP H 1 100 TRP HB3 2.650 . 3.500 3.401 2.701 3.667 0.167 20 0 "[ . 1 . 2]" 1
833 1 100 TRP H 1 100 TRP HD1 3.400 . 5.000 3.351 2.425 4.733 . 0 0 "[ . 1 . 2]" 1
834 1 100 TRP H 1 100 TRP HE3 3.400 . 5.000 5.133 4.569 5.458 0.458 14 0 "[ . 1 . 2]" 1
835 1 100 TRP HA 1 101 PHE H 2.200 . 2.600 2.327 2.150 2.524 . 0 0 "[ . 1 . 2]" 1
836 1 100 TRP HB2 1 101 PHE H 3.400 . 5.000 3.914 3.086 4.340 . 0 0 "[ . 1 . 2]" 1
837 1 100 TRP HB3 1 101 PHE H 3.400 . 5.000 2.764 2.135 3.678 . 0 0 "[ . 1 . 2]" 1
838 1 100 TRP HD1 1 101 PHE H 3.400 . 5.000 4.188 1.786 5.141 0.141 14 0 "[ . 1 . 2]" 1
839 1 101 PHE H 1 101 PHE QE 4.500 . 7.200 4.538 4.056 4.967 . 0 0 "[ . 1 . 2]" 1
840 1 101 PHE H 1 113 GLY HA2 3.400 . 5.000 5.119 5.004 5.205 0.205 9 0 "[ . 1 . 2]" 1
841 1 101 PHE H 1 116 THR HG1 2.650 . 3.500 3.185 2.526 3.591 0.091 8 0 "[ . 1 . 2]" 1
842 1 101 PHE H 1 116 THR MG 3.900 . 6.000 4.128 2.814 5.630 . 0 0 "[ . 1 . 2]" 1
843 1 101 PHE H 1 123 ILE MG 3.900 . 6.000 5.740 4.997 6.289 0.289 13 0 "[ . 1 . 2]" 1
844 1 90 TYR QD 1 102 VAL H 4.500 . 7.200 5.676 5.316 5.970 . 0 0 "[ . 1 . 2]" 1
845 1 91 ILE HA 1 102 VAL H 3.400 . 5.000 2.426 1.860 3.056 . 0 0 "[ . 1 . 2]" 1
846 1 101 PHE HA 1 102 VAL H 2.200 . 2.600 2.297 2.223 2.424 . 0 0 "[ . 1 . 2]" 1
847 1 101 PHE HB3 1 102 VAL H 3.400 . 5.000 2.967 2.829 3.544 . 0 0 "[ . 1 . 2]" 1
848 1 101 PHE HB2 1 102 VAL H 3.400 . 5.000 3.957 3.702 4.167 . 0 0 "[ . 1 . 2]" 1
849 1 101 PHE QD 1 102 VAL H 4.500 . 7.200 4.248 3.674 4.768 . 0 0 "[ . 1 . 2]" 1
850 1 102 VAL H 1 102 VAL HB 2.650 . 3.500 2.804 2.384 3.679 0.179 8 0 "[ . 1 . 2]" 1
851 1 66 LEU QD 1 103 GLY H 3.900 . 6.000 3.027 2.293 5.030 . 0 0 "[ . 1 . 2]" 1
852 1 102 VAL HA 1 103 GLY H 2.200 . 2.600 2.114 2.042 2.159 . 0 0 "[ . 1 . 2]" 1
853 1 103 GLY H 1 116 THR MG 3.150 . 4.500 2.088 1.726 3.418 0.074 5 0 "[ . 1 . 2]" 1
854 1 103 GLY HA2 1 104 LEU H 2.200 . 2.600 2.156 1.975 2.351 . 0 0 "[ . 1 . 2]" 1
855 1 103 GLY HA3 1 104 LEU H 2.200 . 2.600 2.864 2.700 2.995 0.395 7 0 "[ . 1 . 2]" 1
856 1 104 LEU H 1 104 LEU HG 2.650 . 3.500 2.722 2.079 3.748 0.248 8 0 "[ . 1 . 2]" 1
857 1 104 LEU H 1 122 ALA MB 3.150 . 4.500 3.215 2.445 3.749 . 0 0 "[ . 1 . 2]" 1
858 1 104 LEU H 1 125 PHE QE 4.500 . 7.200 2.927 1.717 4.267 0.083 17 0 "[ . 1 . 2]" 1
859 1 104 LEU H 1 125 PHE HZ 3.400 . 5.000 3.237 2.212 4.479 . 0 0 "[ . 1 . 2]" 1
860 1 104 LEU HA 1 105 LYS H 2.200 . 2.600 2.283 2.188 2.458 . 0 0 "[ . 1 . 2]" 1
861 1 105 LYS H 1 110 CYS HA 2.650 . 3.500 2.116 1.518 3.762 0.282 17 0 "[ . 1 . 2]" 1
862 1 105 LYS HA 1 106 LYS H 2.200 . 2.600 2.171 2.045 2.360 . 0 0 "[ . 1 . 2]" 1
863 1 106 LYS H 1 108 GLY H 3.400 . 5.000 3.843 3.557 4.044 . 0 0 "[ . 1 . 2]" 1
864 1 105 LYS HA 1 107 ASN H 3.400 . 5.000 3.332 2.830 3.639 . 0 0 "[ . 1 . 2]" 1
865 1 107 ASN H 1 108 GLY H 2.250 . 2.700 2.424 2.332 2.582 . 0 0 "[ . 1 . 2]" 1
866 1 106 LYS HA 1 108 GLY H 2.850 . 3.900 3.433 3.173 3.690 . 0 0 "[ . 1 . 2]" 1
867 1 108 GLY H 1 109 SER H 2.650 . 3.500 2.626 2.503 2.786 . 0 0 "[ . 1 . 2]" 1
868 1 25 ASP HA 1 110 CYS H 3.400 . 5.000 3.246 2.598 4.951 . 0 0 "[ . 1 . 2]" 1
869 1 109 SER HA 1 110 CYS H 2.200 . 2.600 2.528 2.382 2.659 0.059 1 0 "[ . 1 . 2]" 1
870 1 104 LEU HA 1 111 LYS H 2.650 . 3.500 2.670 1.779 3.965 0.465 10 0 "[ . 1 . 2]" 1
871 1 111 LYS H 1 116 THR MG 3.900 . 6.000 5.599 4.315 6.443 0.443 9 0 "[ . 1 . 2]" 1
872 1 111 LYS HA 1 112 ARG H 2.200 . 2.600 2.313 2.065 2.427 . 0 0 "[ . 1 . 2]" 1
873 1 112 ARG H 1 116 THR MG 3.900 . 6.000 3.950 3.002 4.382 . 0 0 "[ . 1 . 2]" 1
874 1 112 ARG HA 1 113 GLY H 2.200 . 2.600 2.438 2.154 2.894 0.294 8 0 "[ . 1 . 2]" 1
875 1 113 GLY H 1 113 GLY HA3 2.200 . 2.600 2.342 2.241 2.456 . 0 0 "[ . 1 . 2]" 1
876 1 113 GLY H 1 116 THR MG 3.900 . 6.000 4.068 3.120 4.569 . 0 0 "[ . 1 . 2]" 1
877 1 113 GLY HA3 1 115 ARG H 3.400 . 5.000 4.301 4.020 4.689 . 0 0 "[ . 1 . 2]" 1
878 1 115 ARG H 1 116 THR MG 3.150 . 4.500 3.684 3.016 4.433 . 0 0 "[ . 1 . 2]" 1
879 1 115 ARG H 1 116 THR HG1 3.400 . 5.000 4.694 4.200 5.089 0.089 10 0 "[ . 1 . 2]" 1
880 1 114 PRO HA 1 116 THR H 3.400 . 5.000 4.254 3.606 4.709 . 0 0 "[ . 1 . 2]" 1
881 1 115 ARG HA 1 116 THR H 2.650 . 3.500 3.285 3.063 3.500 0.000 20 0 "[ . 1 . 2]" 1
882 1 115 ARG HB2 1 116 THR H 3.400 . 5.000 3.741 3.130 4.437 . 0 0 "[ . 1 . 2]" 1
883 1 115 ARG HB3 1 116 THR H 3.400 . 5.000 4.154 3.431 4.548 . 0 0 "[ . 1 . 2]" 1
884 1 115 ARG QD 1 116 THR H 3.400 . 5.000 4.426 3.580 4.772 . 0 0 "[ . 1 . 2]" 1
885 1 116 THR H 1 116 THR HB 2.650 . 3.500 3.577 3.486 3.709 0.209 8 0 "[ . 1 . 2]" 1
886 1 116 THR H 1 116 THR MG 2.700 . 3.600 2.691 2.200 3.005 . 0 0 "[ . 1 . 2]" 1
887 1 116 THR H 1 116 THR HG1 2.650 . 3.500 3.118 2.524 3.478 . 0 0 "[ . 1 . 2]" 1
888 1 116 THR HA 1 117 HIS H 2.650 . 3.500 2.076 1.914 3.258 . 0 0 "[ . 1 . 2]" 1
889 1 116 THR HB 1 117 HIS H 2.650 . 3.500 3.478 1.928 3.930 0.430 5 0 "[ . 1 . 2]" 1
890 1 116 THR MG 1 117 HIS H 3.150 . 4.500 3.671 3.290 4.058 . 0 0 "[ . 1 . 2]" 1
891 1 117 HIS H 1 123 ILE MG 3.150 . 4.500 3.793 2.835 4.706 0.206 9 0 "[ . 1 . 2]" 1
892 1 117 HIS H 1 123 ILE MD 3.900 . 6.000 2.381 1.759 4.062 0.041 20 0 "[ . 1 . 2]" 1
893 1 101 PHE HZ 1 118 TYR H 3.400 . 5.000 5.085 5.040 5.145 0.145 8 0 "[ . 1 . 2]" 1
894 1 101 PHE QE 1 118 TYR H 4.500 . 7.200 4.570 3.838 5.045 . 0 0 "[ . 1 . 2]" 1
895 1 118 TYR H 1 123 ILE MD 3.900 . 6.000 5.203 3.748 6.083 0.083 5 0 "[ . 1 . 2]" 1
896 1 118 TYR HA 1 119 GLY H 2.200 . 2.600 2.200 2.132 2.271 . 0 0 "[ . 1 . 2]" 1
897 1 118 TYR QD 1 119 GLY H 3.900 . 6.000 4.456 3.906 4.843 . 0 0 "[ . 1 . 2]" 1
898 1 119 GLY H 1 123 ILE MD 3.150 . 4.500 3.856 2.549 4.509 0.009 2 0 "[ . 1 . 2]" 1
899 1 120 GLN H 1 122 ALA MB 3.900 . 6.000 4.986 4.458 5.402 . 0 0 "[ . 1 . 2]" 1
900 1 120 GLN H 1 123 ILE MG 3.900 . 6.000 5.365 3.514 6.018 0.018 19 0 "[ . 1 . 2]" 1
901 1 120 GLN H 1 123 ILE MD 3.900 . 6.000 3.736 2.532 4.845 . 0 0 "[ . 1 . 2]" 1
902 1 122 ALA H 1 122 ALA MB 2.650 . 3.500 2.231 2.193 2.258 . 0 0 "[ . 1 . 2]" 1
903 1 122 ALA H 1 123 ILE H 2.650 . 3.500 2.439 2.282 2.576 . 0 0 "[ . 1 . 2]" 1
904 1 122 ALA H 1 123 ILE MG 3.900 . 6.000 5.572 3.840 5.833 . 0 0 "[ . 1 . 2]" 1
905 1 121 LYS HA 1 123 ILE H 3.400 . 5.000 2.879 2.526 3.062 . 0 0 "[ . 1 . 2]" 1
906 1 123 ILE H 1 123 ILE HG12 3.400 . 5.000 2.775 1.979 4.458 . 0 0 "[ . 1 . 2]" 1
907 1 123 ILE H 1 123 ILE HG13 3.400 . 5.000 3.150 1.964 4.496 . 0 0 "[ . 1 . 2]" 1
908 1 123 ILE H 1 123 ILE MG 3.150 . 4.500 3.707 2.129 3.811 . 0 0 "[ . 1 . 2]" 1
909 1 123 ILE H 1 123 ILE MD 3.900 . 6.000 3.315 2.160 4.428 . 0 0 "[ . 1 . 2]" 1
910 1 121 LYS HA 1 124 LEU H 2.650 . 3.500 3.579 3.417 3.753 0.253 17 0 "[ . 1 . 2]" 1
911 1 123 ILE MG 1 124 LEU H 3.900 . 6.000 4.123 3.158 4.296 . 0 0 "[ . 1 . 2]" 1
912 1 88 ASN QB 1 125 PHE H 3.400 . 5.000 4.073 3.481 4.807 . 0 0 "[ . 1 . 2]" 1
913 1 89 THR MG 1 125 PHE H 3.150 . 4.500 4.609 4.515 4.686 0.186 17 0 "[ . 1 . 2]" 1
914 1 124 LEU HA 1 125 PHE H 2.200 . 2.600 2.189 2.105 2.281 . 0 0 "[ . 1 . 2]" 1
915 1 125 PHE H 1 125 PHE QB 2.650 . 3.500 2.634 2.287 3.226 . 0 0 "[ . 1 . 2]" 1
916 1 125 PHE H 1 125 PHE QE 4.500 . 7.200 4.311 3.917 4.685 . 0 0 "[ . 1 . 2]" 1
917 1 125 PHE H 1 126 LEU H 3.400 . 5.000 4.502 4.433 4.547 . 0 0 "[ . 1 . 2]" 1
918 1 7 LEU HA 1 126 LEU H 3.400 . 5.000 5.056 4.786 6.272 1.272 17 1 "[ . 1 . + 2]" 1
919 1 8 TYR QB 1 126 LEU H 3.400 . 5.000 3.758 1.603 4.943 0.197 17 0 "[ . 1 . 2]" 1
920 1 8 TYR QD 1 126 LEU H 4.500 . 7.200 4.121 2.738 4.819 . 0 0 "[ . 1 . 2]" 1
921 1 9 CYS HA 1 126 LEU H 3.400 . 5.000 3.180 2.475 4.505 . 0 0 "[ . 1 . 2]" 1
922 1 125 PHE HA 1 126 LEU H 2.200 . 2.600 2.221 2.126 2.342 . 0 0 "[ . 1 . 2]" 1
923 1 125 PHE QB 1 126 LEU H 3.400 . 5.000 2.788 2.294 3.264 . 0 0 "[ . 1 . 2]" 1
924 1 125 PHE QD 1 126 LEU H 4.500 . 7.200 4.203 3.597 4.554 . 0 0 "[ . 1 . 2]" 1
925 1 126 LEU H 1 126 LEU HB2 2.650 . 3.500 2.941 2.607 3.858 0.358 18 0 "[ . 1 . 2]" 1
926 1 126 LEU H 1 126 LEU HB3 2.650 . 3.500 3.232 2.706 3.800 0.300 7 0 "[ . 1 . 2]" 1
927 1 126 LEU H 1 126 LEU HG 3.400 . 5.000 4.193 2.931 5.002 0.002 2 0 "[ . 1 . 2]" 1
928 1 127 PRO HA 1 128 LEU H 2.200 . 2.600 2.195 2.147 2.231 . 0 0 "[ . 1 . 2]" 1
929 1 128 LEU H 1 128 LEU HG 2.650 . 3.500 2.930 2.021 3.716 0.216 18 0 "[ . 1 . 2]" 1
930 1 5 LYS HA 1 130 VAL H 2.650 . 3.500 3.340 2.598 3.600 0.100 2 0 "[ . 1 . 2]" 1
931 1 129 PRO HA 1 130 VAL H 2.200 . 2.600 2.350 2.232 2.485 . 0 0 "[ . 1 . 2]" 1
932 1 130 VAL H 1 130 VAL HB 2.650 . 3.500 2.905 2.649 3.641 0.141 9 0 "[ . 1 . 2]" 1
933 1 130 VAL HB 1 131 SER H 2.650 . 3.500 3.608 2.753 3.825 0.325 17 0 "[ . 1 . 2]" 1
934 1 131 SER HA 1 132 SER H 2.200 . 2.600 2.242 2.100 2.453 . 0 0 "[ . 1 . 2]" 1
935 1 132 SER HA 1 133 ASP H 2.200 . 2.600 2.214 2.111 2.294 . 0 0 "[ . 1 . 2]" 1
936 1 132 SER HB2 1 133 ASP H 3.400 . 5.000 4.363 3.844 4.583 . 0 0 "[ . 1 . 2]" 1
937 1 132 SER HB3 1 133 ASP H 3.400 . 5.000 4.115 3.499 4.527 . 0 0 "[ . 1 . 2]" 1
938 1 133 ASP H 1 133 ASP HB2 2.650 . 3.500 2.917 2.292 3.840 0.340 8 0 "[ . 1 . 2]" 1
939 1 133 ASP H 1 133 ASP HB3 2.650 . 3.500 2.934 2.439 3.808 0.308 2 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 198
_Distance_constraint_stats_list.Viol_count 253
_Distance_constraint_stats_list.Viol_total 586.746
_Distance_constraint_stats_list.Viol_max 1.532
_Distance_constraint_stats_list.Viol_rms 0.0448
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.1160
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 0.155 0.050 6 0 "[ . 1 . 2]"
1 4 PRO 0.155 0.050 6 0 "[ . 1 . 2]"
1 5 LYS 0.001 0.001 14 0 "[ . 1 . 2]"
1 6 LEU 0.376 0.140 10 0 "[ . 1 . 2]"
1 7 LEU 0.120 0.074 17 0 "[ . 1 . 2]"
1 8 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 0.590 0.162 11 0 "[ . 1 . 2]"
1 12 GLY 0.045 0.045 11 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 HIS 1.536 0.308 8 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.470 0.157 16 0 "[ . 1 . 2]"
1 18 ILE 0.034 0.021 20 0 "[ . 1 . 2]"
1 19 LEU 0.003 0.003 4 0 "[ . 1 . 2]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.070 0.049 11 0 "[ . 1 . 2]"
1 26 GLY 0.070 0.049 11 0 "[ . 1 . 2]"
1 27 THR 0.126 0.044 12 0 "[ . 1 . 2]"
1 28 ARG 3.560 0.390 4 0 "[ . 1 . 2]"
1 29 ASP 2.962 0.390 4 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.114 0.061 9 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLN 0.673 0.396 7 0 "[ . 1 . 2]"
1 34 HIS 0.034 0.021 20 0 "[ . 1 . 2]"
1 35 ILE 0.560 0.157 16 0 "[ . 1 . 2]"
1 36 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.004 0.004 17 0 "[ . 1 . 2]"
1 38 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLU 0.298 0.119 18 0 "[ . 1 . 2]"
1 43 SER 0.298 0.119 18 0 "[ . 1 . 2]"
1 44 VAL 0.003 0.003 11 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 1.523 0.296 5 0 "[ . 1 . 2]"
1 53 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.266 0.063 13 0 "[ . 1 . 2]"
1 56 GLN 2.159 0.296 5 0 "[ . 1 . 2]"
1 57 TYR 3.913 0.378 16 0 "[ . 1 . 2]"
1 58 LEU 0.288 0.143 18 0 "[ . 1 . 2]"
1 59 ALA 0.145 0.045 6 0 "[ . 1 . 2]"
1 60 MET 0.035 0.035 5 0 "[ . 1 . 2]"
1 61 ASP 1.069 0.215 17 0 "[ . 1 . 2]"
1 63 ASP 0.059 0.059 7 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.284 0.105 11 0 "[ . 1 . 2]"
1 66 LEU 0.861 0.164 2 0 "[ . 1 . 2]"
1 67 TYR 1.034 0.215 17 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 3.913 0.378 16 0 "[ . 1 . 2]"
1 73 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 1.033 0.331 16 0 "[ . 1 . 2]"
1 76 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 6 0 "[ . 1 . 2]"
1 78 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 0.006 0.006 12 0 "[ . 1 . 2]"
1 80 GLU 0.006 0.006 12 0 "[ . 1 . 2]"
1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LEU 0.176 0.073 20 0 "[ . 1 . 2]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 HIS 0.143 0.073 20 0 "[ . 1 . 2]"
1 87 TYR 0.162 0.162 15 0 "[ . 1 . 2]"
1 88 ASN 0.018 0.018 20 0 "[ . 1 . 2]"
1 89 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LYS 2.881 0.292 5 0 "[ . 1 . 2]"
1 94 LYS 2.948 0.292 5 0 "[ . 1 . 2]"
1 95 HIS 0.108 0.066 11 0 "[ . 1 . 2]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 TRP 0.027 0.027 2 0 "[ . 1 . 2]"
1 102 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LEU 0.601 0.308 8 0 "[ . 1 . 2]"
1 105 LYS 1.393 0.279 19 0 "[ . 1 . 2]"
1 106 LYS 6.002 1.532 18 1 "[ . 1 . + 2]"
1 107 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 SER 0.010 0.010 14 0 "[ . 1 . 2]"
1 110 CYS 0.010 0.010 14 0 "[ . 1 . 2]"
1 111 LYS 7.827 1.532 18 1 "[ . 1 . + 2]"
1 112 ARG 1.893 0.274 4 0 "[ . 1 . 2]"
1 113 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ARG 0.082 0.067 3 0 "[ . 1 . 2]"
1 117 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LYS 0.590 0.162 11 0 "[ . 1 . 2]"
1 123 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 PHE 0.162 0.162 15 0 "[ . 1 . 2]"
1 126 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 LEU 0.255 0.140 10 0 "[ . 1 . 2]"
1 129 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 SER 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 3 LYS H 1 4 PRO QD 3.840 . 5.880 2.653 1.750 4.356 0.050 6 0 "[ . 1 . 2]" 2
2 1 5 LYS H 1 5 LYS QB 2.590 . 3.380 2.424 2.148 2.565 . 0 0 "[ . 1 . 2]" 2
3 1 5 LYS QB 1 6 LEU H 2.640 . 3.480 2.619 2.190 3.481 0.001 14 0 "[ . 1 . 2]" 2
4 1 5 LYS QB 1 128 LEU H 3.840 . 5.880 3.694 3.055 5.053 . 0 0 "[ . 1 . 2]" 2
5 1 6 LEU QB 1 7 LEU H 3.015 . 4.230 3.423 2.479 3.711 . 0 0 "[ . 1 . 2]" 2
6 1 6 LEU QB 1 128 LEU H 3.090 . 4.380 3.305 2.466 4.520 0.140 10 0 "[ . 1 . 2]" 2
7 1 6 LEU QD 1 7 LEU H 3.935 . 6.070 2.544 1.726 3.415 0.074 17 0 "[ . 1 . 2]" 2
8 1 7 LEU QD 1 8 TYR H 3.935 . 6.070 3.483 2.353 4.091 . 0 0 "[ . 1 . 2]" 2
9 1 9 CYS H 1 9 CYS QB 2.785 . 3.770 2.648 2.276 3.086 . 0 0 "[ . 1 . 2]" 2
10 1 9 CYS QB 1 10 SER H 3.840 . 5.880 3.637 2.884 4.036 . 0 0 "[ . 1 . 2]" 2
11 1 11 ASN H 1 121 LYS QB 3.840 . 5.880 4.537 2.656 6.042 0.162 11 0 "[ . 1 . 2]" 2
12 1 12 GLY QA 1 14 HIS H 3.840 . 5.880 4.657 4.196 5.925 0.045 11 0 "[ . 1 . 2]" 2
13 1 13 GLY H 1 13 GLY QA 2.220 . 2.640 2.392 2.170 2.506 . 0 0 "[ . 1 . 2]" 2
14 1 13 GLY QA 1 14 HIS H 2.380 . 2.960 2.310 2.049 2.373 . 0 0 "[ . 1 . 2]" 2
15 1 14 HIS H 1 28 ARG QB 3.840 . 5.880 5.221 4.347 6.164 0.284 14 0 "[ . 1 . 2]" 2
16 1 14 HIS H 1 104 LEU QD 4.685 . 7.570 7.008 5.880 7.878 0.308 8 0 "[ . 1 . 2]" 2
17 1 14 HIS QB 1 15 PHE H 3.015 . 4.230 2.404 2.160 2.557 . 0 0 "[ . 1 . 2]" 2
18 1 14 HIS QB 1 27 THR H 2.640 . 3.480 3.192 2.477 3.524 0.044 12 0 "[ . 1 . 2]" 2
19 1 17 ARG QG 1 18 ILE H 3.015 . 4.230 3.109 2.368 3.990 . 0 0 "[ . 1 . 2]" 2
20 1 17 ARG QG 1 35 ILE H 3.840 . 5.880 4.949 3.450 6.037 0.157 16 0 "[ . 1 . 2]" 2
21 1 18 ILE H 1 34 HIS QB 3.840 . 5.880 2.669 1.779 3.200 0.021 20 0 "[ . 1 . 2]" 2
22 1 19 LEU H 1 19 LEU QD 3.485 . 5.170 2.841 1.797 3.884 0.003 4 0 "[ . 1 . 2]" 2
23 1 19 LEU H 1 20 PRO QD 3.840 . 5.880 4.343 4.065 4.399 . 0 0 "[ . 1 . 2]" 2
24 1 20 PRO QG 1 21 ASP H 3.585 . 5.370 4.166 3.269 4.349 . 0 0 "[ . 1 . 2]" 2
25 1 20 PRO QD 1 21 ASP H 3.575 . 5.350 2.871 2.638 3.089 . 0 0 "[ . 1 . 2]" 2
26 1 21 ASP H 1 21 ASP QB 2.380 . 2.960 2.380 2.259 2.635 . 0 0 "[ . 1 . 2]" 2
27 1 21 ASP H 1 22 GLY QA 3.840 . 5.880 4.260 4.077 4.371 . 0 0 "[ . 1 . 2]" 2
28 1 22 GLY H 1 22 GLY QA 2.220 . 2.640 2.308 2.251 2.407 . 0 0 "[ . 1 . 2]" 2
29 1 25 ASP QB 1 26 GLY H 2.380 . 2.960 2.607 2.300 3.009 0.049 11 0 "[ . 1 . 2]" 2
30 1 25 ASP QB 1 110 CYS H 3.840 . 5.880 3.455 2.623 4.471 . 0 0 "[ . 1 . 2]" 2
31 1 28 ARG H 1 28 ARG QB 2.785 . 3.770 2.637 2.252 3.001 . 0 0 "[ . 1 . 2]" 2
32 1 28 ARG QB 1 29 ASP H 2.640 . 3.480 3.578 3.265 3.870 0.390 4 0 "[ . 1 . 2]" 2
33 1 29 ASP H 1 29 ASP QB 2.260 . 2.720 2.664 2.399 2.788 0.068 20 0 "[ . 1 . 2]" 2
34 1 30 ARG H 1 30 ARG QB 2.590 . 3.380 2.614 1.933 3.200 . 0 0 "[ . 1 . 2]" 2
35 1 30 ARG H 1 30 ARG QG 3.090 . 4.380 3.161 2.035 4.264 . 0 0 "[ . 1 . 2]" 2
36 1 30 ARG H 1 30 ARG QD 3.840 . 5.880 3.040 1.812 4.615 . 0 0 "[ . 1 . 2]" 2
37 1 30 ARG QB 1 31 SER H 3.090 . 4.380 3.734 3.350 3.987 . 0 0 "[ . 1 . 2]" 2
38 1 30 ARG QG 1 31 SER H 3.840 . 5.880 4.077 3.316 5.008 . 0 0 "[ . 1 . 2]" 2
39 1 31 SER H 1 31 SER QB 2.380 . 2.960 2.661 2.335 3.021 0.061 9 0 "[ . 1 . 2]" 2
40 1 32 ASP H 1 32 ASP QB 2.380 . 2.960 2.395 2.182 2.543 . 0 0 "[ . 1 . 2]" 2
41 1 33 GLN H 1 33 GLN QB 2.785 . 3.770 2.393 2.069 2.886 . 0 0 "[ . 1 . 2]" 2
42 1 33 GLN H 1 33 GLN QG 2.640 . 3.480 2.646 1.895 3.876 0.396 7 0 "[ . 1 . 2]" 2
43 1 33 GLN QG 1 34 HIS H 3.840 . 5.880 4.310 3.334 4.689 . 0 0 "[ . 1 . 2]" 2
44 1 35 ILE H 1 35 ILE QG 3.090 . 4.380 2.833 1.742 4.072 0.058 3 0 "[ . 1 . 2]" 2
45 1 35 ILE H 1 36 GLN QB 3.840 . 5.880 4.293 4.044 4.772 . 0 0 "[ . 1 . 2]" 2
46 1 35 ILE QG 1 36 GLN H 3.840 . 5.880 3.969 2.938 4.981 . 0 0 "[ . 1 . 2]" 2
47 1 36 GLN H 1 36 GLN QB 2.590 . 3.380 2.827 2.687 2.978 . 0 0 "[ . 1 . 2]" 2
48 1 37 LEU H 1 37 LEU QB 2.780 . 3.760 3.040 2.759 3.143 . 0 0 "[ . 1 . 2]" 2
49 1 37 LEU H 1 37 LEU QD 3.245 . 4.690 2.263 1.796 3.058 0.004 17 0 "[ . 1 . 2]" 2
50 1 37 LEU QD 1 38 GLN H 3.935 . 6.070 3.919 2.742 4.354 . 0 0 "[ . 1 . 2]" 2
51 1 38 GLN H 1 38 GLN QG 3.840 . 5.880 3.674 2.219 4.049 . 0 0 "[ . 1 . 2]" 2
52 1 39 LEU H 1 39 LEU QB 2.380 . 2.960 2.346 2.259 2.450 . 0 0 "[ . 1 . 2]" 2
53 1 39 LEU H 1 39 LEU QD 3.935 . 6.070 3.717 3.167 3.897 . 0 0 "[ . 1 . 2]" 2
54 1 42 GLU H 1 42 GLU QG 3.840 . 5.880 3.436 2.004 4.177 . 0 0 "[ . 1 . 2]" 2
55 1 42 GLU QB 1 43 SER H 3.015 . 4.230 2.738 2.141 3.823 . 0 0 "[ . 1 . 2]" 2
56 1 42 GLU QG 1 43 SER H 3.015 . 4.230 3.895 2.444 4.349 0.119 18 0 "[ . 1 . 2]" 2
57 1 43 SER H 1 44 VAL QG 4.680 . 7.560 5.253 4.938 5.392 . 0 0 "[ . 1 . 2]" 2
58 1 43 SER H 1 77 LEU QD 4.685 . 7.570 5.338 4.233 6.451 . 0 0 "[ . 1 . 2]" 2
59 1 44 VAL H 1 44 VAL QG 2.905 . 4.010 1.955 1.797 2.218 0.003 11 0 "[ . 1 . 2]" 2
60 1 44 VAL QG 1 45 GLY H 3.435 . 5.070 3.121 2.814 3.635 . 0 0 "[ . 1 . 2]" 2
61 1 44 VAL QG 1 46 GLU H 4.680 . 7.560 4.098 3.855 4.405 . 0 0 "[ . 1 . 2]" 2
62 1 49 ILE H 1 49 ILE QG 3.840 . 5.880 2.643 2.260 3.528 . 0 0 "[ . 1 . 2]" 2
63 1 50 LYS H 1 50 LYS QB 2.590 . 3.380 2.813 2.427 3.054 . 0 0 "[ . 1 . 2]" 2
64 1 50 LYS H 1 50 LYS QG 3.840 . 5.880 2.477 2.009 4.085 . 0 0 "[ . 1 . 2]" 2
65 1 50 LYS QG 1 51 SER H 3.840 . 5.880 3.879 2.504 4.468 . 0 0 "[ . 1 . 2]" 2
66 1 51 SER H 1 51 SER QB 2.590 . 3.380 2.413 2.163 2.711 . 0 0 "[ . 1 . 2]" 2
67 1 51 SER QB 1 55 GLY H 3.090 . 4.380 2.249 1.737 3.284 0.063 13 0 "[ . 1 . 2]" 2
68 1 51 SER QB 1 56 GLN H 2.640 . 3.480 2.012 1.504 2.503 0.296 5 0 "[ . 1 . 2]" 2
69 1 53 GLU H 1 53 GLU QB 2.380 . 2.960 2.406 2.238 2.916 . 0 0 "[ . 1 . 2]" 2
70 1 53 GLU QB 1 54 THR H 3.015 . 4.230 2.436 2.203 3.255 . 0 0 "[ . 1 . 2]" 2
71 1 56 GLN H 1 56 GLN QB 2.590 . 3.380 3.245 3.071 3.485 0.105 18 0 "[ . 1 . 2]" 2
72 1 56 GLN H 1 56 GLN QG 3.090 . 4.380 4.056 3.305 4.493 0.113 6 0 "[ . 1 . 2]" 2
73 1 57 TYR QB 1 69 SER H 2.640 . 3.480 1.896 1.422 3.187 0.378 16 0 "[ . 1 . 2]" 2
74 1 58 LEU H 1 58 LEU QD 4.685 . 7.570 3.526 1.657 3.788 0.143 18 0 "[ . 1 . 2]" 2
75 1 58 LEU QB 1 59 ALA H 3.015 . 4.230 3.462 3.120 3.750 . 0 0 "[ . 1 . 2]" 2
76 1 58 LEU QD 1 59 ALA H 4.685 . 7.570 2.371 1.755 4.416 0.045 6 0 "[ . 1 . 2]" 2
77 1 60 MET H 1 60 MET QG 3.015 . 4.230 3.283 2.036 4.084 . 0 0 "[ . 1 . 2]" 2
78 1 60 MET QG 1 61 ASP H 3.090 . 4.380 3.646 2.745 4.415 0.035 5 0 "[ . 1 . 2]" 2
79 1 61 ASP H 1 65 LEU QB 3.840 . 5.880 4.599 3.919 5.392 . 0 0 "[ . 1 . 2]" 2
80 1 61 ASP H 1 67 TYR QB 3.840 . 5.880 5.839 5.153 6.095 0.215 17 0 "[ . 1 . 2]" 2
81 1 63 ASP H 1 63 ASP QB 2.590 . 3.380 3.112 2.995 3.439 0.059 7 0 "[ . 1 . 2]" 2
82 1 63 ASP H 1 65 LEU QB 3.840 . 5.880 5.593 5.137 5.804 . 0 0 "[ . 1 . 2]" 2
83 1 63 ASP QB 1 64 GLY H 3.090 . 4.380 3.592 3.451 3.711 . 0 0 "[ . 1 . 2]" 2
84 1 63 ASP QB 1 65 LEU H 3.840 . 5.880 5.281 4.947 5.680 . 0 0 "[ . 1 . 2]" 2
85 1 65 LEU H 1 65 LEU QB 2.380 . 2.960 2.782 2.395 3.065 0.105 11 0 "[ . 1 . 2]" 2
86 1 65 LEU QD 1 66 LEU H 4.685 . 7.570 3.450 1.854 4.302 . 0 0 "[ . 1 . 2]" 2
87 1 66 LEU H 1 66 LEU QB 2.780 . 3.760 2.939 2.381 3.239 . 0 0 "[ . 1 . 2]" 2
88 1 66 LEU H 1 66 LEU QD 3.485 . 5.170 1.983 1.636 2.914 0.164 2 0 "[ . 1 . 2]" 2
89 1 66 LEU QB 1 67 TYR H 3.015 . 4.230 3.262 2.786 3.492 . 0 0 "[ . 1 . 2]" 2
90 1 66 LEU QD 1 67 TYR H 3.485 . 5.170 4.223 3.755 4.535 . 0 0 "[ . 1 . 2]" 2
91 1 67 TYR H 1 67 TYR QB 2.775 . 3.750 2.938 2.305 3.091 . 0 0 "[ . 1 . 2]" 2
92 1 67 TYR QB 1 68 GLY H 3.090 . 4.380 2.813 2.585 2.934 . 0 0 "[ . 1 . 2]" 2
93 1 68 GLY H 1 68 GLY QA 2.220 . 2.640 2.488 2.465 2.508 . 0 0 "[ . 1 . 2]" 2
94 1 68 GLY QA 1 69 SER H 2.420 . 3.040 2.168 2.018 2.320 . 0 0 "[ . 1 . 2]" 2
95 1 73 ASN H 1 73 ASN QB 2.785 . 3.770 2.401 2.266 2.694 . 0 0 "[ . 1 . 2]" 2
96 1 74 GLU H 1 74 GLU QB 2.785 . 3.770 2.710 2.242 3.016 . 0 0 "[ . 1 . 2]" 2
97 1 74 GLU H 1 74 GLU QG 3.840 . 5.880 2.704 1.843 3.926 . 0 0 "[ . 1 . 2]" 2
98 1 74 GLU QB 1 75 GLU H 3.090 . 4.380 3.641 3.479 3.857 . 0 0 "[ . 1 . 2]" 2
99 1 75 GLU H 1 75 GLU QG 2.380 . 2.960 2.955 2.670 3.291 0.331 16 0 "[ . 1 . 2]" 2
100 1 75 GLU H 1 76 CYS QB 3.840 . 5.880 3.539 3.162 3.870 . 0 0 "[ . 1 . 2]" 2
101 1 75 GLU H 1 77 LEU QB 3.840 . 5.880 5.031 4.204 5.703 . 0 0 "[ . 1 . 2]" 2
102 1 75 GLU H 1 77 LEU QD 4.685 . 7.570 4.535 3.426 5.498 . 0 0 "[ . 1 . 2]" 2
103 1 75 GLU QG 1 77 LEU H 3.840 . 5.880 5.393 5.118 5.641 . 0 0 "[ . 1 . 2]" 2
104 1 76 CYS H 1 77 LEU QB 3.840 . 5.880 4.675 4.147 5.090 . 0 0 "[ . 1 . 2]" 2
105 1 76 CYS H 1 77 LEU QD 4.685 . 7.570 4.494 3.444 5.238 . 0 0 "[ . 1 . 2]" 2
106 1 77 LEU H 1 77 LEU QB 2.380 . 2.960 2.523 2.117 2.960 . 6 0 "[ . 1 . 2]" 2
107 1 77 LEU QB 1 78 PHE H 3.015 . 4.230 3.119 2.723 3.587 . 0 0 "[ . 1 . 2]" 2
108 1 77 LEU QD 1 78 PHE H 3.435 . 5.070 3.319 2.161 3.873 . 0 0 "[ . 1 . 2]" 2
109 1 79 LEU H 1 79 LEU QB 2.780 . 3.760 2.331 2.257 2.417 . 0 0 "[ . 1 . 2]" 2
110 1 79 LEU H 1 79 LEU QD 3.935 . 6.070 3.783 3.718 3.825 . 0 0 "[ . 1 . 2]" 2
111 1 79 LEU QB 1 80 GLU H 3.840 . 5.880 3.624 3.474 3.686 . 0 0 "[ . 1 . 2]" 2
112 1 79 LEU QB 1 91 ILE H 3.090 . 4.380 3.132 2.783 3.488 . 0 0 "[ . 1 . 2]" 2
113 1 79 LEU QD 1 80 GLU H 3.485 . 5.170 2.491 1.794 2.848 0.006 12 0 "[ . 1 . 2]" 2
114 1 79 LEU QD 1 91 ILE H 4.685 . 7.570 3.949 3.032 4.434 . 0 0 "[ . 1 . 2]" 2
115 1 79 LEU QD 1 93 LYS H 4.685 . 7.570 5.429 4.444 5.779 . 0 0 "[ . 1 . 2]" 2
116 1 80 GLU H 1 80 GLU QG 3.840 . 5.880 3.916 1.879 4.116 . 0 0 "[ . 1 . 2]" 2
117 1 81 ARG QB 1 89 THR H 3.840 . 5.880 3.840 3.394 4.471 . 0 0 "[ . 1 . 2]" 2
118 1 81 ARG QD 1 82 LEU H 3.840 . 5.880 4.285 1.955 5.352 . 0 0 "[ . 1 . 2]" 2
119 1 82 LEU H 1 82 LEU QB 2.380 . 2.960 2.573 2.128 2.927 . 0 0 "[ . 1 . 2]" 2
120 1 82 LEU H 1 82 LEU QD 4.685 . 7.570 3.019 1.785 3.638 0.015 7 0 "[ . 1 . 2]" 2
121 1 82 LEU QB 1 89 THR H 3.840 . 5.880 4.631 3.018 5.550 . 0 0 "[ . 1 . 2]" 2
122 1 82 LEU QD 1 83 GLU H 3.485 . 5.170 3.669 2.882 4.536 . 0 0 "[ . 1 . 2]" 2
123 1 82 LEU QD 1 86 HIS H 3.935 . 6.070 5.376 3.351 6.143 0.073 20 0 "[ . 1 . 2]" 2
124 1 82 LEU QD 1 88 ASN H 4.685 . 7.570 5.360 3.912 7.588 0.018 20 0 "[ . 1 . 2]" 2
125 1 82 LEU QD 1 89 THR H 4.685 . 7.570 4.193 3.198 5.858 . 0 0 "[ . 1 . 2]" 2
126 1 83 GLU H 1 83 GLU QG 3.090 . 4.380 3.638 2.318 4.134 . 0 0 "[ . 1 . 2]" 2
127 1 85 ASN H 1 85 ASN QB 2.785 . 3.770 2.679 2.345 3.391 . 0 0 "[ . 1 . 2]" 2
128 1 85 ASN QB 1 87 TYR H 3.840 . 5.880 4.641 3.677 5.706 . 0 0 "[ . 1 . 2]" 2
129 1 86 HIS H 1 87 TYR QB 3.840 . 5.880 4.719 4.108 5.351 . 0 0 "[ . 1 . 2]" 2
130 1 87 TYR H 1 87 TYR QB 2.580 . 3.360 2.704 2.391 3.341 . 0 0 "[ . 1 . 2]" 2
131 1 87 TYR QB 1 88 ASN H 2.640 . 3.480 2.644 2.404 2.932 . 0 0 "[ . 1 . 2]" 2
132 1 87 TYR QB 1 125 PHE H 3.090 . 4.380 3.549 3.017 4.542 0.162 15 0 "[ . 1 . 2]" 2
133 1 90 TYR QB 1 91 ILE H 3.090 . 4.380 2.920 2.541 3.233 . 0 0 "[ . 1 . 2]" 2
134 1 90 TYR QB 1 102 VAL H 3.840 . 5.880 3.681 3.324 4.024 . 0 0 "[ . 1 . 2]" 2
135 1 92 SER H 1 92 SER QB 2.785 . 3.770 2.646 2.234 2.965 . 0 0 "[ . 1 . 2]" 2
136 1 93 LYS H 1 93 LYS QB 2.785 . 3.770 2.156 1.998 2.805 . 0 0 "[ . 1 . 2]" 2
137 1 93 LYS H 1 93 LYS QG 3.840 . 5.880 3.300 2.172 3.973 . 0 0 "[ . 1 . 2]" 2
138 1 93 LYS H 1 93 LYS QD 3.840 . 5.880 4.327 3.679 4.854 . 0 0 "[ . 1 . 2]" 2
139 1 93 LYS H 1 93 LYS QE 3.840 . 5.880 5.239 3.904 5.890 0.010 12 0 "[ . 1 . 2]" 2
140 1 93 LYS QB 1 94 LYS H 3.840 . 5.880 3.308 3.134 3.889 . 0 0 "[ . 1 . 2]" 2
141 1 93 LYS QG 1 94 LYS H 3.090 . 4.380 4.394 2.941 4.672 0.292 5 0 "[ . 1 . 2]" 2
142 1 94 LYS H 1 94 LYS QB 2.590 . 3.380 2.311 2.087 2.788 . 0 0 "[ . 1 . 2]" 2
143 1 94 LYS H 1 94 LYS QD 3.840 . 5.880 4.102 2.573 4.578 . 0 0 "[ . 1 . 2]" 2
144 1 94 LYS QB 1 95 HIS H 3.840 . 5.880 1.965 1.734 2.504 0.066 11 0 "[ . 1 . 2]" 2
145 1 94 LYS QD 1 95 HIS H 3.240 . 4.680 4.329 3.722 4.694 0.014 20 0 "[ . 1 . 2]" 2
146 1 95 HIS H 1 95 HIS QB 2.780 . 3.760 2.488 2.319 3.036 . 0 0 "[ . 1 . 2]" 2
147 1 95 HIS QB 1 96 ALA H 3.840 . 5.880 3.901 3.619 4.052 . 0 0 "[ . 1 . 2]" 2
148 1 95 HIS QB 1 100 TRP H 3.840 . 5.880 4.129 3.038 5.907 0.027 2 0 "[ . 1 . 2]" 2
149 1 97 GLU H 1 97 GLU QB 2.590 . 3.380 2.408 2.151 2.965 . 0 0 "[ . 1 . 2]" 2
150 1 97 GLU QB 1 98 LYS H 3.090 . 4.380 3.165 2.707 3.652 . 0 0 "[ . 1 . 2]" 2
151 1 97 GLU QB 1 99 ASN H 3.840 . 5.880 4.704 4.509 4.996 . 0 0 "[ . 1 . 2]" 2
152 1 98 LYS H 1 98 LYS QG 3.090 . 4.380 3.398 2.385 4.091 . 0 0 "[ . 1 . 2]" 2
153 1 99 ASN H 1 99 ASN QB 2.785 . 3.770 3.205 3.026 3.434 . 0 0 "[ . 1 . 2]" 2
154 1 102 VAL H 1 102 VAL QG 2.905 . 4.010 2.223 1.844 2.803 . 0 0 "[ . 1 . 2]" 2
155 1 102 VAL QG 1 103 GLY H 3.480 . 5.160 2.923 2.698 3.515 . 0 0 "[ . 1 . 2]" 2
156 1 104 LEU H 1 104 LEU QB 2.780 . 3.760 2.966 2.400 3.267 . 0 0 "[ . 1 . 2]" 2
157 1 104 LEU H 1 104 LEU QD 4.685 . 7.570 2.620 1.927 3.680 . 0 0 "[ . 1 . 2]" 2
158 1 104 LEU QB 1 105 LYS H 3.090 . 4.380 3.067 2.465 3.777 . 0 0 "[ . 1 . 2]" 2
159 1 104 LEU QD 1 105 LYS H 3.935 . 6.070 3.619 2.724 4.111 . 0 0 "[ . 1 . 2]" 2
160 1 104 LEU QD 1 110 CYS H 4.685 . 7.570 4.636 3.228 7.102 . 0 0 "[ . 1 . 2]" 2
161 1 104 LEU QD 1 111 LYS H 3.935 . 6.070 4.605 3.727 5.492 . 0 0 "[ . 1 . 2]" 2
162 1 105 LYS H 1 109 SER QB 3.840 . 5.880 5.292 4.834 5.628 . 0 0 "[ . 1 . 2]" 2
163 1 105 LYS H 1 111 LYS QG 3.090 . 4.380 4.016 1.701 4.519 0.139 5 0 "[ . 1 . 2]" 2
164 1 105 LYS H 1 111 LYS QD 4.090 . 6.380 2.867 1.819 4.256 . 0 0 "[ . 1 . 2]" 2
165 1 105 LYS QD 1 106 LYS H 3.090 . 4.380 3.731 2.892 4.659 0.279 19 0 "[ . 1 . 2]" 2
166 1 106 LYS H 1 111 LYS QD 3.840 . 5.880 5.955 3.961 7.412 1.532 18 1 "[ . 1 . + 2]" 2
167 1 107 ASN H 1 107 ASN QB 2.785 . 3.770 2.304 2.163 2.685 . 0 0 "[ . 1 . 2]" 2
168 1 108 GLY H 1 108 GLY QA 2.220 . 2.640 2.377 2.352 2.395 . 0 0 "[ . 1 . 2]" 2
169 1 108 GLY H 1 109 SER QB 3.840 . 5.880 5.176 4.738 5.319 . 0 0 "[ . 1 . 2]" 2
170 1 109 SER H 1 109 SER QB 2.785 . 3.770 3.139 2.815 3.355 . 0 0 "[ . 1 . 2]" 2
171 1 109 SER QB 1 110 CYS H 2.640 . 3.480 2.696 2.125 3.490 0.010 14 0 "[ . 1 . 2]" 2
172 1 110 CYS H 1 110 CYS QB 2.380 . 2.960 2.319 1.980 2.811 . 0 0 "[ . 1 . 2]" 2
173 1 110 CYS QB 1 111 LYS H 3.015 . 4.230 3.498 2.317 3.992 . 0 0 "[ . 1 . 2]" 2
174 1 111 LYS H 1 111 LYS QD 3.840 . 5.880 2.459 1.762 4.028 0.038 7 0 "[ . 1 . 2]" 2
175 1 111 LYS QB 1 112 ARG H 2.640 . 3.480 3.372 2.308 3.754 0.274 4 0 "[ . 1 . 2]" 2
176 1 111 LYS QG 1 112 ARG H 3.840 . 5.880 4.316 2.212 5.106 . 0 0 "[ . 1 . 2]" 2
177 1 111 LYS QD 1 112 ARG H 3.840 . 5.880 4.613 2.878 5.576 . 0 0 "[ . 1 . 2]" 2
178 1 112 ARG QB 1 113 GLY H 3.090 . 4.380 3.429 1.812 3.933 . 0 0 "[ . 1 . 2]" 2
179 1 115 ARG H 1 115 ARG QB 2.785 . 3.770 2.533 2.275 3.202 . 0 0 "[ . 1 . 2]" 2
180 1 115 ARG HA 1 115 ARG QD 3.090 . 4.380 2.660 1.733 3.823 0.067 3 0 "[ . 1 . 2]" 2
181 1 117 HIS H 1 117 HIS QB 2.780 . 3.760 3.232 2.471 3.501 . 0 0 "[ . 1 . 2]" 2
182 1 117 HIS H 1 123 ILE QG 3.840 . 5.880 2.974 1.873 4.277 . 0 0 "[ . 1 . 2]" 2
183 1 120 GLN H 1 120 GLN QB 2.785 . 3.770 2.550 2.429 2.641 . 0 0 "[ . 1 . 2]" 2
184 1 120 GLN H 1 120 GLN QG 3.090 . 4.380 3.643 3.187 4.268 . 0 0 "[ . 1 . 2]" 2
185 1 123 ILE H 1 124 LEU QD 4.685 . 7.570 4.011 2.965 5.166 . 0 0 "[ . 1 . 2]" 2
186 1 123 ILE QG 1 124 LEU H 3.840 . 5.880 4.192 3.933 4.850 . 0 0 "[ . 1 . 2]" 2
187 1 124 LEU H 1 124 LEU QB 2.585 . 3.370 2.433 2.259 3.017 . 0 0 "[ . 1 . 2]" 2
188 1 124 LEU H 1 124 LEU QD 3.935 . 6.070 3.111 2.248 3.843 . 0 0 "[ . 1 . 2]" 2
189 1 124 LEU QB 1 125 PHE H 3.840 . 5.880 3.669 3.319 4.037 . 0 0 "[ . 1 . 2]" 2
190 1 124 LEU QD 1 125 PHE H 4.685 . 7.570 3.729 2.757 4.393 . 0 0 "[ . 1 . 2]" 2
191 1 126 LEU H 1 126 LEU QD 3.935 . 6.070 3.486 1.910 4.024 . 0 0 "[ . 1 . 2]" 2
192 1 126 LEU H 1 128 LEU QD 5.385 . 8.970 5.590 4.653 6.617 . 0 0 "[ . 1 . 2]" 2
193 1 127 PRO QB 1 128 LEU H 2.940 . 4.080 3.606 3.252 3.671 . 0 0 "[ . 1 . 2]" 2
194 1 129 PRO QB 1 130 VAL H 2.940 . 4.080 2.738 2.508 2.964 . 0 0 "[ . 1 . 2]" 2
195 1 129 PRO QG 1 130 VAL H 3.585 . 5.370 4.286 4.048 4.526 . 0 0 "[ . 1 . 2]" 2
196 1 129 PRO QD 1 130 VAL H 3.695 . 5.590 4.909 4.744 4.969 . 0 0 "[ . 1 . 2]" 2
197 1 130 VAL QG 1 131 SER H 3.930 . 6.060 2.402 2.042 3.565 . 0 0 "[ . 1 . 2]" 2
198 1 132 SER H 1 132 SER QB 2.785 . 3.770 2.563 2.345 3.009 . 0 0 "[ . 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 23
_Distance_constraint_stats_list.Viol_count 173
_Distance_constraint_stats_list.Viol_total 1072.208
_Distance_constraint_stats_list.Viol_max 2.664
_Distance_constraint_stats_list.Viol_rms 0.3873
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1165
_Distance_constraint_stats_list.Viol_average_violations_only 0.3099
_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 6 LEU 1.399 0.176 17 0 "[ . 1 . 2]"
1 8 TYR 2.355 1.917 17 1 "[ . 1 . + 2]"
1 10 SER 21.832 2.051 5 12 "[ ***+* * ***. - **]"
1 15 PHE 0.902 0.124 2 0 "[ . 1 . 2]"
1 17 ARG 0.573 0.097 3 0 "[ . 1 . 2]"
1 25 ASP 0.573 0.097 3 0 "[ . 1 . 2]"
1 27 THR 0.902 0.124 2 0 "[ . 1 . 2]"
1 38 GLN 1.207 0.107 20 0 "[ . 1 . 2]"
1 40 SER 0.256 0.042 6 0 "[ . 1 . 2]"
1 48 TYR 0.256 0.042 6 0 "[ . 1 . 2]"
1 50 LYS 1.207 0.107 20 0 "[ . 1 . 2]"
1 59 ALA 0.133 0.091 12 0 "[ . 1 . 2]"
1 61 ASP 0.012 0.012 5 0 "[ . 1 . 2]"
1 65 LEU 0.012 0.012 5 0 "[ . 1 . 2]"
1 67 TYR 0.133 0.091 12 0 "[ . 1 . 2]"
1 79 LEU 0.380 0.090 1 0 "[ . 1 . 2]"
1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 GLU 0.400 0.145 19 0 "[ . 1 . 2]"
1 87 TYR 0.400 0.145 19 0 "[ . 1 . 2]"
1 89 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ILE 0.380 0.090 1 0 "[ . 1 . 2]"
1 103 GLY 23.432 2.664 10 16 "[* *** -**+ * *******]"
1 105 LYS 0.730 0.123 18 0 "[ . 1 . 2]"
1 109 SER 0.730 0.123 18 0 "[ . 1 . 2]"
1 111 LYS 23.432 2.664 10 16 "[* *** -**+ * *******]"
1 124 LEU 21.832 2.051 5 12 "[ ***+* * ***. - **]"
1 126 LEU 2.355 1.917 17 1 "[ . 1 . + 2]"
1 128 LEU 1.399 0.176 17 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 10 SER H 1 124 LEU O 2.150 . 2.500 3.592 2.572 4.551 2.051 5 12 "[ ***+* * ***. - **]" 3
2 1 38 GLN O 1 50 LYS H 2.150 . 2.500 2.109 1.886 2.447 . 0 0 "[ . 1 . 2]" 3
3 1 38 GLN H 1 50 LYS O 2.150 . 2.500 1.743 1.693 1.868 0.107 20 0 "[ . 1 . 2]" 3
4 1 40 SER O 1 48 TYR H 2.150 . 2.500 1.863 1.769 2.406 0.031 4 0 "[ . 1 . 2]" 3
5 1 40 SER H 1 48 TYR O 2.150 . 2.500 2.365 1.843 2.542 0.042 6 0 "[ . 1 . 2]" 3
6 1 79 LEU O 1 91 ILE H 2.150 . 2.500 1.819 1.710 2.055 0.090 1 0 "[ . 1 . 2]" 3
7 1 79 LEU H 1 91 ILE O 2.150 . 2.500 1.945 1.763 2.263 0.037 12 0 "[ . 1 . 2]" 3
8 1 81 ARG O 1 89 THR H 2.150 . 2.500 1.987 1.804 2.335 . 0 0 "[ . 1 . 2]" 3
9 1 81 ARG H 1 89 THR O 2.150 . 2.500 2.006 1.903 2.110 . 0 0 "[ . 1 . 2]" 3
10 1 83 GLU H 1 87 TYR O 2.150 . 2.500 2.256 1.853 2.645 0.145 19 0 "[ . 1 . 2]" 3
11 1 6 LEU O 1 128 LEU H 2.150 . 2.500 2.472 2.114 2.676 0.176 17 0 "[ . 1 . 2]" 3
12 1 6 LEU H 1 128 LEU O 2.150 . 2.500 1.794 1.711 2.010 0.089 10 0 "[ . 1 . 2]" 3
13 1 8 TYR O 1 126 LEU H 2.150 . 2.500 2.222 2.000 2.874 0.374 17 0 "[ . 1 . 2]" 3
14 1 8 TYR H 1 126 LEU O 2.150 . 2.500 2.455 2.109 4.417 1.917 17 1 "[ . 1 . + 2]" 3
15 1 17 ARG O 1 25 ASP H 2.150 . 2.500 2.340 2.031 2.533 0.033 20 0 "[ . 1 . 2]" 3
16 1 17 ARG H 1 25 ASP O 2.150 . 2.500 1.782 1.703 1.882 0.097 3 0 "[ . 1 . 2]" 3
17 1 15 PHE O 1 27 THR H 2.150 . 2.500 1.767 1.676 1.931 0.124 2 0 "[ . 1 . 2]" 3
18 1 15 PHE H 1 27 THR O 2.150 . 2.500 2.199 1.912 2.511 0.011 20 0 "[ . 1 . 2]" 3
19 1 61 ASP H 1 65 LEU O 2.150 . 2.500 2.191 1.788 2.475 0.012 5 0 "[ . 1 . 2]" 3
20 1 59 ALA O 1 67 TYR H 2.150 . 2.500 2.191 1.907 2.381 . 0 0 "[ . 1 . 2]" 3
21 1 59 ALA H 1 67 TYR O 2.150 . 2.500 2.205 1.709 2.473 0.091 12 0 "[ . 1 . 2]" 3
22 1 103 GLY O 1 111 LYS H 2.150 . 2.500 3.672 2.575 5.164 2.664 10 16 "[* *** -**+ * *******]" 3
23 1 105 LYS H 1 109 SER O 2.150 . 2.500 2.425 2.062 2.623 0.123 18 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Monday, June 3, 2024 4:46:37 PM GMT (wattos1)