NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482623 |
1r5s   |
5313 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r5s
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 231
_Distance_constraint_stats_list.Viol_count 442
_Distance_constraint_stats_list.Viol_total 354.145
_Distance_constraint_stats_list.Viol_max 1.840
_Distance_constraint_stats_list.Viol_rms 0.1022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0153
_Distance_constraint_stats_list.Viol_average_violations_only 0.0801
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 GLY 0.000 0.000 . 0 "[ . 1]"
1 5 SER 0.035 0.035 5 0 "[ . 1]"
1 6 PRO 0.105 0.035 5 0 "[ . 1]"
1 8 LYS 0.070 0.012 4 0 "[ . 1]"
1 9 ASP 0.008 0.006 10 0 "[ . 1]"
1 11 GLY 0.008 0.006 10 0 "[ . 1]"
1 12 SER 0.000 0.000 . 0 "[ . 1]"
1 13 PRO 0.169 0.035 3 0 "[ . 1]"
1 14 LYS 0.177 0.035 3 0 "[ . 1]"
1 16 ALA 0.127 0.069 2 0 "[ . 1]"
1 17 TYR 1.201 0.118 3 0 "[ . 1]"
1 18 PHE 0.218 0.066 6 0 "[ . 1]"
1 19 ASN 0.864 0.118 3 0 "[ . 1]"
1 20 GLY 0.100 0.041 5 0 "[ . 1]"
1 21 CYS 0.477 0.085 9 0 "[ . 1]"
1 22 SER 0.545 0.085 9 0 "[ . 1]"
1 23 SER 0.320 0.060 3 0 "[ . 1]"
1 24 PRO 0.090 0.029 1 0 "[ . 1]"
1 25 THR 0.672 0.060 3 0 "[ . 1]"
1 26 ALA 0.000 0.000 . 0 "[ . 1]"
1 27 PRO 0.062 0.023 10 0 "[ . 1]"
1 28 LEU 0.005 0.005 7 0 "[ . 1]"
1 29 SER 0.001 0.001 8 0 "[ . 1]"
1 31 MET 0.107 0.045 10 0 "[ . 1]"
1 32 SER 0.376 0.376 6 0 "[ . 1]"
1 33 PRO 0.605 0.376 6 0 "[ . 1]"
1 34 PRO 0.228 0.051 4 0 "[ . 1]"
1 35 GLY 0.106 0.051 4 0 "[ . 1]"
1 36 TYR 0.017 0.012 10 0 "[ . 1]"
1 37 LYS 0.019 0.008 3 0 "[ . 1]"
1 38 LEU 0.002 0.002 5 0 "[ . 1]"
1 39 VAL 0.042 0.038 3 0 "[ . 1]"
1 40 THR 0.092 0.038 3 0 "[ . 1]"
1 41 GLY 0.000 0.000 . 0 "[ . 1]"
1 42 ASP 0.033 0.011 7 0 "[ . 1]"
1 43 ARG 0.000 0.000 . 0 "[ . 1]"
1 45 ASN 0.010 0.009 5 0 "[ . 1]"
1 46 SER 0.009 0.009 5 0 "[ . 1]"
1 47 SER 0.001 0.001 1 0 "[ . 1]"
1 48 CYS 0.093 0.054 3 0 "[ . 1]"
1 49 ARG 0.093 0.054 3 0 "[ . 1]"
1 50 ASN 0.000 0.000 . 0 "[ . 1]"
1 51 TYR 0.000 0.000 . 0 "[ . 1]"
1 52 ASN 0.031 0.010 5 0 "[ . 1]"
1 53 LYS 0.000 0.000 . 0 "[ . 1]"
1 54 GLN 0.031 0.010 5 0 "[ . 1]"
1 55 ALA 0.133 0.058 8 0 "[ . 1]"
1 56 SER 0.148 0.058 8 0 "[ . 1]"
1 57 GLU 0.000 0.000 . 0 "[ . 1]"
1 58 GLN 0.169 0.048 5 0 "[ . 1]"
1 59 ASN 0.000 0.000 . 0 "[ . 1]"
1 60 TRP 5.462 1.277 3 5 "[ +-. * **]"
1 61 ALA 0.091 0.032 4 0 "[ . 1]"
1 62 ASN 5.525 1.277 3 5 "[ +-. * **]"
1 63 TYR 0.000 0.000 . 0 "[ . 1]"
1 65 ALA 0.000 0.000 . 0 "[ . 1]"
1 66 GLU 0.002 0.002 7 0 "[ . 1]"
1 67 GLN 0.950 0.089 4 0 "[ . 1]"
1 68 ASN 2.312 0.144 6 0 "[ . 1]"
1 69 ARG 1.221 0.144 6 0 "[ . 1]"
1 70 MET 2.375 0.137 6 0 "[ . 1]"
1 71 GLY 1.130 0.132 4 0 "[ . 1]"
1 72 GLN 0.120 0.032 6 0 "[ . 1]"
1 73 ALA 0.822 0.137 6 0 "[ . 1]"
1 74 GLY 0.000 0.000 . 0 "[ . 1]"
1 75 SER 0.051 0.028 9 0 "[ . 1]"
1 76 THR 0.193 0.028 9 0 "[ . 1]"
1 77 ILE 0.133 0.027 8 0 "[ . 1]"
1 78 SER 0.013 0.010 10 0 "[ . 1]"
1 79 ASN 0.000 0.000 . 0 "[ . 1]"
1 80 SER 0.005 0.003 9 0 "[ . 1]"
1 81 HIS 0.282 0.045 1 0 "[ . 1]"
1 82 ALA 0.364 0.095 9 0 "[ . 1]"
1 83 GLN 0.415 0.094 3 0 "[ . 1]"
1 84 PRO 0.562 0.254 1 0 "[ . 1]"
1 85 PHE 1.051 0.254 1 0 "[ . 1]"
1 86 ASP 0.184 0.054 7 0 "[ . 1]"
1 87 PHE 0.135 0.049 7 0 "[ . 1]"
1 88 PRO 12.314 1.840 7 10 [******+*-*]
1 90 ASP 12.286 1.840 7 10 [******+*-*]
1 91 ASN 0.016 0.016 9 0 "[ . 1]"
1 92 GLN 0.000 0.000 . 0 "[ . 1]"
1 93 ASN 0.359 0.086 4 0 "[ . 1]"
1 94 ALA 0.000 0.000 . 0 "[ . 1]"
1 95 LYS 0.470 0.058 1 0 "[ . 1]"
1 96 LYS 0.154 0.043 4 0 "[ . 1]"
1 97 VAL 0.345 0.058 1 0 "[ . 1]"
1 98 ALA 0.008 0.008 3 0 "[ . 1]"
1 99 ALA 0.683 0.095 6 0 "[ . 1]"
1 100 GLY 0.075 0.030 3 0 "[ . 1]"
1 101 HIS 0.460 0.110 10 0 "[ . 1]"
1 102 GLU 0.562 0.110 10 0 "[ . 1]"
1 106 LEU 0.000 0.000 . 0 "[ . 1]"
1 107 ALA 0.000 0.000 . 0 "[ . 1]"
1 108 ILE 0.055 0.021 9 0 "[ . 1]"
1 109 VAL 0.324 0.108 8 0 "[ . 1]"
1 110 ASP 0.346 0.055 7 0 "[ . 1]"
1 111 GLN 0.522 0.108 8 0 "[ . 1]"
1 112 ARG 0.128 0.028 4 0 "[ . 1]"
1 113 PRO 1.161 0.132 5 0 "[ . 1]"
1 114 SER 0.009 0.009 5 0 "[ . 1]"
1 115 SER 0.801 0.132 5 0 "[ . 1]"
1 116 ARG 0.022 0.014 5 0 "[ . 1]"
1 117 ALA 0.000 0.000 . 0 "[ . 1]"
1 118 SER 0.014 0.014 5 0 "[ . 1]"
1 119 SER 0.102 0.102 4 0 "[ . 1]"
1 120 ARG 0.000 0.000 . 0 "[ . 1]"
1 123 SER 0.031 0.026 1 0 "[ . 1]"
1 124 ARG 0.000 0.000 . 0 "[ . 1]"
1 125 PRO 0.031 0.026 1 0 "[ . 1]"
1 126 ARG 2.572 0.635 3 2 "[- + . 1]"
1 127 PRO 2.512 0.635 3 2 "[- + . 1]"
1 128 ASP 0.000 0.000 . 0 "[ . 1]"
1 129 ASP 1.040 0.157 6 0 "[ . 1]"
1 130 LEU 1.076 0.157 6 0 "[ . 1]"
1 131 GLU 0.000 0.000 . 0 "[ . 1]"
1 132 ILE 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLY HA3 1 6 PRO HD3 5.252 . 5.252 4.425 3.999 4.756 . 0 0 "[ . 1]" 1
2 1 5 SER HA 1 6 PRO HA 5.579 . 5.579 4.653 4.593 4.756 . 0 0 "[ . 1]" 1
3 1 5 SER HA 1 6 PRO HD3 3.806 . 3.806 2.810 2.278 3.841 0.035 5 0 "[ . 1]" 1
4 1 5 SER H 1 6 PRO HD3 6.000 . 6.000 2.888 2.027 3.571 . 0 0 "[ . 1]" 1
5 1 6 PRO HB2 1 8 LYS HD3 6.000 . 6.000 5.673 4.776 6.010 0.010 8 0 "[ . 1]" 1
6 1 6 PRO HA 1 8 LYS H . . 3.659 3.560 3.442 3.671 0.012 9 0 "[ . 1]" 1
7 1 9 ASP HB2 1 11 GLY HA3 6.000 . 6.000 5.625 5.260 6.006 0.006 10 0 "[ . 1]" 1
8 1 9 ASP HA 1 11 GLY H 6.000 . 6.000 4.413 3.281 6.002 0.002 1 0 "[ . 1]" 1
9 1 12 SER HA 1 14 LYS H . . 5.539 4.608 4.028 5.160 . 0 0 "[ . 1]" 1
10 1 13 PRO HB3 1 14 LYS HB2 4.539 . 4.539 4.546 4.442 4.574 0.035 3 0 "[ . 1]" 1
11 1 14 LYS H 1 16 ALA MB 6.000 . 6.000 5.160 3.757 6.006 0.006 2 0 "[ . 1]" 1
12 1 16 ALA HA 1 17 TYR HB3 6.000 . 6.000 5.876 5.657 6.069 0.069 2 0 "[ . 1]" 1
13 1 16 ALA HA 1 17 TYR H . . 4.564 2.905 2.138 3.565 . 0 0 "[ . 1]" 1
14 1 16 ALA MB 1 17 TYR H 6.000 . 6.000 2.973 1.932 3.663 . 0 0 "[ . 1]" 1
15 1 17 TYR HA 1 18 PHE HD1 5.900 . 5.900 3.874 2.548 4.528 . 0 0 "[ . 1]" 1
16 1 17 TYR HA 1 18 PHE HE1 5.282 . 5.282 5.134 3.648 5.348 0.066 6 0 "[ . 1]" 1
17 1 17 TYR HB3 1 19 ASN HA 5.608 . 5.608 5.632 5.609 5.676 0.068 5 0 "[ . 1]" 1
18 1 17 TYR H 1 19 ASN HA 6.000 . 6.000 6.042 5.791 6.118 0.118 3 0 "[ . 1]" 1
19 1 19 ASN HA 1 20 GLY HA2 5.669 3.800 5.669 4.681 4.383 5.127 . 0 0 "[ . 1]" 1
20 1 20 GLY HA2 1 22 SER H 5.912 . 5.912 5.129 3.344 5.953 0.041 5 0 "[ . 1]" 1
21 1 21 CYS HB3 1 22 SER HB3 6.000 . 6.000 5.716 4.695 6.085 0.085 9 0 "[ . 1]" 1
22 1 22 SER HA 1 24 PRO HD3 5.651 . 5.651 4.649 4.018 5.021 . 0 0 "[ . 1]" 1
23 1 22 SER HB3 1 24 PRO HD3 4.650 . 4.650 4.537 4.086 4.679 0.029 1 0 "[ . 1]" 1
24 1 23 SER HA 1 24 PRO HD3 5.787 . 5.787 2.244 1.969 3.072 . 0 0 "[ . 1]" 1
25 1 21 CYS HB2 1 25 THR HG1 6.000 . 6.000 5.969 5.699 6.029 0.029 1 0 "[ . 1]" 1
26 1 23 SER HB3 1 25 THR HB 4.187 . 4.187 4.219 4.189 4.247 0.060 3 0 "[ . 1]" 1
27 1 25 THR HB 1 27 PRO HD3 5.923 . 5.923 4.123 2.221 5.927 0.004 7 0 "[ . 1]" 1
28 1 25 THR HA 1 25 THR HB 2.983 . 2.983 2.763 2.496 3.019 0.036 4 0 "[ . 1]" 1
29 1 25 THR HA 1 26 ALA MB 6.000 . 6.000 4.131 3.947 4.252 . 0 0 "[ . 1]" 1
30 1 25 THR HB 1 27 PRO HB2 6.000 . 6.000 5.624 4.843 6.023 0.023 10 0 "[ . 1]" 1
31 1 26 ALA HA 1 27 PRO HD3 4.766 . 4.766 3.620 2.722 4.310 . 0 0 "[ . 1]" 1
32 1 26 ALA MB 1 27 PRO HD3 6.000 . 6.000 2.557 1.901 4.147 . 0 0 "[ . 1]" 1
33 1 27 PRO HA 1 28 LEU MD1 6.000 . 6.000 4.327 2.654 5.300 . 0 0 "[ . 1]" 1
34 1 27 PRO HB3 1 28 LEU MD1 6.000 . 6.000 5.495 4.329 5.954 . 0 0 "[ . 1]" 1
35 1 27 PRO HA 1 28 LEU HG 5.538 . 5.538 4.839 3.376 5.543 0.005 7 0 "[ . 1]" 1
36 1 27 PRO HB3 1 28 LEU H . . 4.688 2.871 2.366 4.320 . 0 0 "[ . 1]" 1
37 1 27 PRO HB3 1 29 SER H 5.213 . 5.213 4.251 3.743 5.214 0.001 8 0 "[ . 1]" 1
38 1 31 MET HA 1 32 SER HA 6.000 . 6.000 4.589 4.296 5.364 . 0 0 "[ . 1]" 1
39 1 31 MET HB3 1 32 SER H 6.000 . 6.000 3.406 2.276 4.467 . 0 0 "[ . 1]" 1
40 1 31 MET HG2 1 33 PRO HB3 6.000 . 6.000 5.513 4.597 6.045 0.045 10 0 "[ . 1]" 1
41 1 31 MET HB2 1 33 PRO HD3 6.000 . 6.000 4.453 2.394 5.628 . 0 0 "[ . 1]" 1
42 1 31 MET ME 1 33 PRO HD3 4.564 . 4.564 3.127 2.148 3.819 . 0 0 "[ . 1]" 1
43 1 32 SER HA 1 33 PRO HD3 5.270 . 5.270 2.790 2.261 4.371 . 0 0 "[ . 1]" 1
44 1 33 PRO HA 1 34 PRO HD3 6.314 2.800 6.314 3.472 2.756 4.102 0.044 8 0 "[ . 1]" 1
45 1 34 PRO HA 1 35 GLY HA3 4.656 2.800 4.656 4.603 4.508 4.707 0.051 4 0 "[ . 1]" 1
46 1 35 GLY HA3 1 36 TYR H . . 4.469 3.109 2.163 3.569 . 0 0 "[ . 1]" 1
47 1 36 TYR H 1 36 TYR HB2 . 2.600 4.975 3.270 2.588 3.950 0.012 10 0 "[ . 1]" 1
48 1 37 LYS H 1 38 LEU HB3 4.952 . 4.952 4.472 4.046 4.954 0.002 5 0 "[ . 1]" 1
49 1 37 LYS HB2 1 40 THR HG1 5.453 . 5.453 4.929 3.687 5.461 0.008 3 0 "[ . 1]" 1
50 1 39 VAL HB 1 40 THR HA 6.000 . 6.000 4.731 4.140 5.604 . 0 0 "[ . 1]" 1
51 1 39 VAL HB 1 40 THR HG1 5.525 . 5.525 5.194 3.682 5.563 0.038 3 0 "[ . 1]" 1
52 1 40 THR HA 1 41 GLY HA3 5.374 . 5.374 4.489 4.361 4.930 . 0 0 "[ . 1]" 1
53 1 40 THR HA 1 41 GLY H . . 3.689 2.931 2.449 3.569 . 0 0 "[ . 1]" 1
54 1 40 THR HG1 1 42 ASP HB2 6.000 . 6.000 5.775 4.999 6.011 0.011 7 0 "[ . 1]" 1
55 1 41 GLY HA3 1 42 ASP HA 6.000 . 6.000 4.517 4.289 4.941 . 0 0 "[ . 1]" 1
56 1 43 ARG HA 1 43 ARG HD3 5.274 . 5.274 4.328 1.939 4.810 . 0 0 "[ . 1]" 1
57 1 43 ARG H 1 43 ARG HD3 . . 5.755 4.758 3.650 5.486 . 0 0 "[ . 1]" 1
58 1 45 ASN HA 1 46 SER HB3 5.886 . 5.886 5.096 4.404 5.895 0.009 5 0 "[ . 1]" 1
59 1 45 ASN QD 1 47 SER HB3 6.000 . 6.000 4.767 3.293 5.792 . 0 0 "[ . 1]" 1
60 1 45 ASN HB2 1 47 SER H 4.721 . 4.721 3.255 2.865 3.617 . 0 0 "[ . 1]" 1
61 1 48 CYS HB3 1 49 ARG HD3 4.740 . 4.740 4.038 3.008 4.794 0.054 3 0 "[ . 1]" 1
62 1 48 CYS H 1 49 ARG HD3 6.000 . 6.000 4.811 2.943 6.026 0.026 10 0 "[ . 1]" 1
63 1 50 ASN HB2 1 51 TYR HA 6.000 . 6.000 4.857 4.432 5.807 . 0 0 "[ . 1]" 1
64 1 52 ASN HB2 1 53 LYS HA 5.972 . 5.972 5.113 4.658 5.280 . 0 0 "[ . 1]" 1
65 1 52 ASN HA 1 53 LYS HB3 6.000 . 6.000 5.728 5.232 5.979 . 0 0 "[ . 1]" 1
66 1 52 ASN HA 1 54 GLN HE22 6.000 . 6.000 5.639 4.459 6.006 0.006 8 0 "[ . 1]" 1
67 1 52 ASN HA 1 54 GLN HG3 5.005 . 5.005 4.736 3.951 5.012 0.007 7 0 "[ . 1]" 1
68 1 52 ASN HB3 1 54 GLN HG3 5.403 . 5.403 4.836 4.328 5.413 0.010 5 0 "[ . 1]" 1
69 1 52 ASN HB2 1 54 GLN HG3 6.000 . 6.000 3.197 2.807 3.784 . 0 0 "[ . 1]" 1
70 1 52 ASN QD 1 54 GLN HG3 4.226 . 4.226 3.377 2.115 4.231 0.005 5 0 "[ . 1]" 1
71 1 52 ASN HB2 1 54 GLN H 4.467 . 4.467 3.088 2.810 3.549 . 0 0 "[ . 1]" 1
72 1 53 LYS HB3 1 54 GLN H . . 5.604 4.500 4.397 4.653 . 0 0 "[ . 1]" 1
73 1 54 GLN H 1 54 GLN HG3 5.006 . 5.006 3.342 2.332 4.081 . 0 0 "[ . 1]" 1
74 1 54 GLN HB2 1 55 ALA HA 6.000 . 6.000 4.493 4.074 5.004 . 0 0 "[ . 1]" 1
75 1 55 ALA HA 1 56 SER HB3 4.903 . 4.903 4.775 4.363 4.961 0.058 8 0 "[ . 1]" 1
76 1 56 SER H 1 56 SER HB3 4.161 . 4.161 3.180 2.531 3.755 . 0 0 "[ . 1]" 1
77 1 57 GLU H 1 57 GLU HG3 . . 5.500 3.781 2.960 4.531 . 0 0 "[ . 1]" 1
78 1 56 SER HB3 1 58 GLN HE21 6.000 . 6.000 4.833 3.599 6.009 0.009 4 0 "[ . 1]" 1
79 1 56 SER HB3 1 58 GLN HG3 6.000 . 6.000 4.680 3.272 6.004 0.004 4 0 "[ . 1]" 1
80 1 58 GLN HB3 1 59 ASN H . . 5.143 4.445 4.382 4.488 . 0 0 "[ . 1]" 1
81 1 59 ASN HA 1 60 TRP QB 5.365 2.800 5.365 5.079 5.019 5.119 . 0 0 "[ . 1]" 1
82 1 58 GLN HA 1 61 ALA MB 6.000 . 6.000 5.607 4.120 6.032 0.032 4 0 "[ . 1]" 1
83 1 58 GLN HA 1 62 ASN H 5.552 . 5.552 4.962 3.768 5.600 0.048 5 0 "[ . 1]" 1
84 1 60 TRP QB 1 62 ASN HA 6.000 . 6.000 6.270 5.274 7.277 1.277 3 5 "[ +-. * **]" 1
85 1 61 ALA HA 1 62 ASN HA 6.000 . 6.000 4.649 4.344 5.353 . 0 0 "[ . 1]" 1
86 1 62 ASN HA 1 63 TYR HD1 5.545 . 5.545 3.520 2.333 4.951 . 0 0 "[ . 1]" 1
87 1 65 ALA MB 1 66 GLU HA 6.000 . 6.000 4.174 3.913 4.342 . 0 0 "[ . 1]" 1
88 1 66 GLU HG2 1 67 GLN H 5.244 . 5.244 4.092 2.665 5.246 0.002 7 0 "[ . 1]" 1
89 1 67 GLN HA 1 68 ASN HA 4.718 . 4.718 4.793 4.783 4.807 0.089 4 0 "[ . 1]" 1
90 1 67 GLN HB2 1 68 ASN HA 4.372 . 4.372 4.229 4.178 4.260 . 0 0 "[ . 1]" 1
91 1 66 GLU HA 1 69 ARG HB2 3.682 . 3.682 2.651 2.482 2.939 . 0 0 "[ . 1]" 1
92 1 68 ASN HB2 1 69 ARG HA 4.843 . 4.843 4.165 4.027 4.303 . 0 0 "[ . 1]" 1
93 1 68 ASN HA 1 69 ARG HA 4.647 . 4.647 4.769 4.748 4.791 0.144 6 0 "[ . 1]" 1
94 1 67 GLN HA 1 70 MET HB3 4.060 . 4.060 3.972 2.982 4.100 0.040 7 0 "[ . 1]" 1
95 1 67 GLN HA 1 70 MET HG3 6.000 . 6.000 3.259 2.752 5.734 . 0 0 "[ . 1]" 1
96 1 68 ASN HB2 1 70 MET H . 2.300 5.000 5.034 5.008 5.071 0.071 9 0 "[ . 1]" 1
97 1 69 ARG HB2 1 70 MET H 3.000 . 3.000 2.580 2.329 2.731 . 0 0 "[ . 1]" 1
98 1 70 MET HA 1 71 GLY HA3 5.141 . 5.141 5.254 5.239 5.273 0.132 4 0 "[ . 1]" 1
99 1 69 ARG HA 1 72 GLN HG3 4.624 . 4.624 4.152 3.558 4.624 0.000 10 0 "[ . 1]" 1
100 1 71 GLY HA3 1 72 GLN HA 5.036 . 5.036 4.342 4.330 4.350 . 0 0 "[ . 1]" 1
101 1 71 GLY HA3 1 72 GLN H . . 3.524 2.673 2.611 2.716 . 0 0 "[ . 1]" 1
102 1 70 MET HB3 1 73 ALA MB 4.000 . 4.000 4.070 4.047 4.137 0.137 6 0 "[ . 1]" 1
103 1 70 MET HA 1 73 ALA H . . 3.700 3.565 3.164 3.645 . 0 0 "[ . 1]" 1
104 1 72 GLN HG3 1 73 ALA H 4.231 . 4.231 4.243 4.235 4.263 0.032 6 0 "[ . 1]" 1
105 1 72 GLN HB2 1 74 GLY H 5.598 2.600 5.598 4.691 4.580 4.882 . 0 0 "[ . 1]" 1
106 1 73 ALA HA 1 74 GLY HA3 5.510 2.300 5.510 5.315 5.267 5.362 . 0 0 "[ . 1]" 1
107 1 74 GLY HA3 1 75 SER HA 5.000 . 5.000 4.364 4.344 4.399 . 0 0 "[ . 1]" 1
108 1 75 SER HA 1 76 THR HG1 5.000 . 5.000 4.411 3.648 5.028 0.028 9 0 "[ . 1]" 1
109 1 76 THR H 1 76 THR HB . . 4.286 3.852 3.585 4.037 . 0 0 "[ . 1]" 1
110 1 76 THR HA 1 77 ILE HA 5.300 . 5.300 5.201 4.746 5.327 0.027 8 0 "[ . 1]" 1
111 1 76 THR HB 1 77 ILE H 5.283 . 5.283 3.507 2.138 4.452 . 0 0 "[ . 1]" 1
112 1 77 ILE H 1 77 ILE HB 4.383 . 4.383 3.470 2.555 3.737 . 0 0 "[ . 1]" 1
113 1 76 THR HB 1 78 SER H 5.945 . 5.945 5.045 2.899 5.955 0.010 10 0 "[ . 1]" 1
114 1 77 ILE HB 1 78 SER HA 5.492 . 5.492 4.806 4.526 4.989 . 0 0 "[ . 1]" 1
115 1 77 ILE HA 1 78 SER H 3.960 . 3.960 2.452 2.148 3.545 . 0 0 "[ . 1]" 1
116 1 78 SER HA 1 79 ASN HA 6.000 . 6.000 4.564 4.393 4.824 . 0 0 "[ . 1]" 1
117 1 77 ILE HA 1 80 SER HB3 6.000 . 6.000 5.290 4.238 6.003 0.003 9 0 "[ . 1]" 1
118 1 81 HIS HA 1 82 ALA HA 5.842 . 5.842 5.021 4.414 5.353 . 0 0 "[ . 1]" 1
119 1 81 HIS HA 1 82 ALA MB 6.000 . 6.000 4.336 4.104 4.654 . 0 0 "[ . 1]" 1
120 1 81 HIS HA 1 82 ALA H . . 3.550 3.250 2.629 3.559 0.009 6 0 "[ . 1]" 1
121 1 81 HIS HA 1 83 GLN HB3 6.000 . 6.000 5.990 5.800 6.045 0.045 1 0 "[ . 1]" 1
122 1 81 HIS HA 1 83 GLN HG3 6.000 . 6.000 3.543 3.018 6.024 0.024 4 0 "[ . 1]" 1
123 1 82 ALA HA 1 83 GLN HA 5.106 . 5.106 4.539 4.404 4.684 . 0 0 "[ . 1]" 1
124 1 82 ALA HA 1 83 GLN HG3 6.000 . 6.000 5.024 4.584 6.056 0.056 2 0 "[ . 1]" 1
125 1 82 ALA MB 1 83 GLN H . . 4.962 3.655 3.609 3.713 . 0 0 "[ . 1]" 1
126 1 83 GLN HA 1 84 PRO HD2 5.769 . 5.769 4.116 3.888 4.327 . 0 0 "[ . 1]" 1
127 1 83 GLN H 1 84 PRO HD2 5.398 . 5.398 2.038 1.706 2.586 0.094 3 0 "[ . 1]" 1
128 1 82 ALA HA 1 85 PHE H . . 3.563 3.552 3.293 3.658 0.095 9 0 "[ . 1]" 1
129 1 85 PHE HB2 1 86 ASP HA 4.791 . 4.791 4.661 4.462 4.845 0.054 7 0 "[ . 1]" 1
130 1 86 ASP H 1 86 ASP HB3 . . 4.026 3.261 2.849 3.650 . 0 0 "[ . 1]" 1
131 1 85 PHE HB3 1 87 PHE HB2 4.495 . 4.495 4.191 3.593 4.526 0.031 1 0 "[ . 1]" 1
132 1 85 PHE HB2 1 87 PHE HD1 5.311 . 5.311 3.918 2.896 5.360 0.049 7 0 "[ . 1]" 1
133 1 85 PHE HB3 1 87 PHE QE 6.000 . 6.000 3.142 2.572 3.585 . 0 0 "[ . 1]" 1
134 1 85 PHE HB2 1 87 PHE H . . 4.227 2.819 2.420 3.249 . 0 0 "[ . 1]" 1
135 1 86 ASP HA 1 88 PRO HD3 4.507 . 4.507 3.608 2.574 4.517 0.010 2 0 "[ . 1]" 1
136 1 87 PHE HA 1 88 PRO HA 6.000 . 6.000 4.777 4.683 5.022 . 0 0 "[ . 1]" 1
137 1 87 PHE HA 1 88 PRO HD3 4.895 . 4.895 3.429 2.508 4.113 . 0 0 "[ . 1]" 1
138 1 87 PHE HB3 1 88 PRO HD3 6.000 . 6.000 4.340 3.205 5.242 . 0 0 "[ . 1]" 1
139 1 87 PHE HB2 1 88 PRO HD3 6.000 . 6.000 3.822 1.830 5.234 . 0 0 "[ . 1]" 1
140 1 88 PRO HA 1 90 ASP HA 5.363 2.100 5.363 6.581 5.914 7.203 1.840 7 10 [******+*-*] 1
141 1 88 PRO HA 1 90 ASP H 4.264 . 4.264 3.979 3.192 4.308 0.044 6 0 "[ . 1]" 1
142 1 92 GLN H 1 92 GLN HB3 . . 4.194 3.490 2.572 3.598 . 0 0 "[ . 1]" 1
143 1 91 ASN HA 1 93 ASN HD22 8.000 3.800 8.000 6.721 5.324 8.016 0.016 9 0 "[ . 1]" 1
144 1 92 GLN HB2 1 93 ASN HA 6.000 . 6.000 4.287 4.239 4.441 . 0 0 "[ . 1]" 1
145 1 93 ASN HB3 1 93 ASN HD22 . . 3.830 3.623 3.432 3.916 0.086 4 0 "[ . 1]" 1
146 1 93 ASN HA 1 94 ALA HA 6.000 . 6.000 4.696 4.608 4.846 . 0 0 "[ . 1]" 1
147 1 93 ASN HB2 1 94 ALA HA 5.889 . 5.889 4.504 4.200 4.662 . 0 0 "[ . 1]" 1
148 1 93 ASN HA 1 94 ALA MB 6.000 . 6.000 4.956 4.916 5.001 . 0 0 "[ . 1]" 1
149 1 93 ASN HB2 1 94 ALA MB 6.000 . 6.000 4.569 3.889 5.085 . 0 0 "[ . 1]" 1
150 1 93 ASN HA 1 96 LYS HD3 4.463 . 4.463 3.685 2.834 4.486 0.023 4 0 "[ . 1]" 1
151 1 95 LYS HB2 1 96 LYS HA 4.843 . 4.843 4.506 4.378 4.624 . 0 0 "[ . 1]" 1
152 1 95 LYS HE3 1 96 LYS HD3 4.956 . 4.956 4.807 4.206 4.999 0.043 4 0 "[ . 1]" 1
153 1 95 LYS HB2 1 97 VAL H 4.984 2.500 4.984 5.018 4.991 5.042 0.058 1 0 "[ . 1]" 1
154 1 95 LYS HB3 1 98 ALA H 6.000 . 6.000 5.548 4.944 6.008 0.008 3 0 "[ . 1]" 1
155 1 95 LYS HB2 1 98 ALA H 5.969 . 5.969 5.211 4.405 5.667 . 0 0 "[ . 1]" 1
156 1 97 VAL HA 1 98 ALA HA 5.853 . 5.853 4.741 4.553 4.858 . 0 0 "[ . 1]" 1
157 1 97 VAL MG2 1 98 ALA HA 6.000 . 6.000 4.870 3.156 5.501 . 0 0 "[ . 1]" 1
158 1 97 VAL HA 1 98 ALA H . 2.400 3.568 3.488 3.266 3.555 . 0 0 "[ . 1]" 1
159 1 98 ALA MB 1 99 ALA MB 6.000 . 6.000 3.663 3.408 4.192 . 0 0 "[ . 1]" 1
160 1 99 ALA H 1 99 ALA HA . . 2.820 2.886 2.863 2.915 0.095 6 0 "[ . 1]" 1
161 1 99 ALA HA 1 100 GLY HA3 4.693 . 4.693 4.599 4.551 4.665 . 0 0 "[ . 1]" 1
162 1 98 ALA HA 1 102 GLU HG2 6.000 . 6.000 4.603 2.248 5.765 . 0 0 "[ . 1]" 1
163 1 99 ALA HA 1 102 GLU HG2 6.000 . 6.000 5.868 5.471 6.009 0.009 2 0 "[ . 1]" 1
164 1 100 GLY HA3 1 102 GLU HB2 6.000 . 6.000 5.896 5.589 6.030 0.030 3 0 "[ . 1]" 1
165 1 101 HIS HA 1 102 GLU HG3 6.000 . 6.000 5.273 4.946 6.079 0.079 3 0 "[ . 1]" 1
166 1 101 HIS HA 1 102 GLU H . . 3.270 3.238 2.883 3.380 0.110 10 0 "[ . 1]" 1
167 1 106 LEU HB3 1 107 ALA MB 6.000 . 6.000 5.078 4.326 5.685 . 0 0 "[ . 1]" 1
168 1 107 ALA MB 1 108 ILE HB 6.000 . 6.000 4.148 3.401 4.549 . 0 0 "[ . 1]" 1
169 1 107 ALA MB 1 108 ILE MD 6.000 . 6.000 3.779 1.923 4.994 . 0 0 "[ . 1]" 1
170 1 107 ALA MB 1 109 VAL MG1 6.000 . 6.000 4.569 2.520 5.850 . 0 0 "[ . 1]" 1
171 1 108 ILE HA 1 109 VAL H 3.882 . 3.882 3.097 2.745 3.560 . 0 0 "[ . 1]" 1
172 1 109 VAL H 1 109 VAL HA . . 3.029 2.779 2.280 2.928 . 0 0 "[ . 1]" 1
173 1 109 VAL H 1 109 VAL HB . . 4.024 3.379 2.655 3.956 . 0 0 "[ . 1]" 1
174 1 108 ILE HB 1 110 ASP H 6.000 . 6.000 5.672 4.852 6.021 0.021 9 0 "[ . 1]" 1
175 1 109 VAL HA 1 110 ASP HA 5.841 . 5.841 4.655 4.444 5.238 . 0 0 "[ . 1]" 1
176 1 109 VAL HA 1 110 ASP HB3 6.000 . 6.000 5.620 4.970 6.034 0.034 1 0 "[ . 1]" 1
177 1 109 VAL HA 1 110 ASP HB2 6.000 . 6.000 5.235 4.326 6.055 0.055 7 0 "[ . 1]" 1
178 1 109 VAL HA 1 111 GLN H 3.679 . 3.679 3.565 3.292 3.787 0.108 8 0 "[ . 1]" 1
179 1 110 ASP HA 1 112 ARG HD3 5.611 . 5.611 4.354 3.528 5.639 0.028 4 0 "[ . 1]" 1
180 1 110 ASP HB2 1 112 ARG HD3 5.758 . 5.758 5.607 5.086 5.784 0.026 7 0 "[ . 1]" 1
181 1 111 GLN HB3 1 113 PRO HB3 5.360 2.500 5.360 5.199 3.393 5.430 0.070 6 0 "[ . 1]" 1
182 1 111 GLN HA 1 113 PRO HD3 6.000 . 6.000 4.201 3.898 4.521 . 0 0 "[ . 1]" 1
183 1 112 ARG HA 1 113 PRO HD3 4.280 . 4.280 3.857 3.135 3.993 . 0 0 "[ . 1]" 1
184 1 112 ARG HD3 1 113 PRO HD3 6.000 . 6.000 4.438 3.997 5.008 . 0 0 "[ . 1]" 1
185 1 112 ARG H 1 113 PRO HD3 . . 5.670 3.523 2.138 4.045 . 0 0 "[ . 1]" 1
186 1 114 SER H 1 114 SER HA . . 2.923 2.396 2.270 2.874 . 0 0 "[ . 1]" 1
187 1 113 PRO HB3 1 115 SER HA 6.000 . 6.000 5.635 4.904 6.036 0.036 3 0 "[ . 1]" 1
188 1 113 PRO HB2 1 115 SER HA 5.852 . 5.852 5.020 3.187 5.636 . 0 0 "[ . 1]" 1
189 1 113 PRO HA 1 115 SER H 3.565 2.200 3.565 3.641 3.577 3.697 0.132 5 0 "[ . 1]" 1
190 1 114 SER H 1 116 ARG HB2 6.000 . 6.000 5.242 3.799 6.009 0.009 5 0 "[ . 1]" 1
191 1 116 ARG HA 1 117 ALA MB 6.000 . 6.000 4.409 3.963 4.948 . 0 0 "[ . 1]" 1
192 1 116 ARG HA 1 118 SER HB3 6.000 . 6.000 5.331 3.956 6.014 0.014 5 0 "[ . 1]" 1
193 1 118 SER H 1 118 SER HB3 3.579 . 3.579 2.959 2.458 3.189 . 0 0 "[ . 1]" 1
194 1 119 SER H 1 119 SER HA . 2.400 3.155 2.807 2.298 2.897 0.102 4 0 "[ . 1]" 1
195 1 119 SER H 1 119 SER HB3 3.762 . 3.762 2.594 2.471 3.596 . 0 0 "[ . 1]" 1
196 1 118 SER HA 1 120 ARG HG3 6.000 . 6.000 4.297 3.435 4.902 . 0 0 "[ . 1]" 1
197 1 124 ARG H 1 124 ARG HD3 . . 5.899 5.087 3.947 5.718 . 0 0 "[ . 1]" 1
198 1 123 SER HA 1 125 PRO HD3 5.596 . 5.596 4.843 3.337 5.622 0.026 1 0 "[ . 1]" 1
199 1 126 ARG H 1 126 ARG HB3 . . 3.938 3.428 2.559 3.994 0.056 7 0 "[ . 1]" 1
200 1 126 ARG H 1 126 ARG HB2 . . 3.724 3.182 2.736 3.539 . 0 0 "[ . 1]" 1
201 1 126 ARG HB2 1 127 PRO HA 5.700 . 5.700 5.216 4.433 5.729 0.029 2 0 "[ . 1]" 1
202 1 126 ARG HB3 1 127 PRO HB3 5.076 . 5.076 4.951 4.276 5.711 0.635 3 2 "[- + . 1]" 1
203 1 126 ARG HA 1 127 PRO HD3 3.642 . 3.642 3.663 3.633 3.706 0.064 3 0 "[ . 1]" 1
204 1 126 ARG HB2 1 127 PRO HD3 5.001 . 5.001 2.518 1.753 3.076 0.047 1 0 "[ . 1]" 1
205 1 126 ARG HD3 1 127 PRO HD3 6.000 . 6.000 4.750 3.957 5.771 . 0 0 "[ . 1]" 1
206 1 126 ARG H 1 127 PRO HD3 6.000 . 6.000 2.204 1.911 2.429 . 0 0 "[ . 1]" 1
207 1 126 ARG HA 1 127 PRO HG3 5.505 . 5.505 5.392 5.323 5.477 . 0 0 "[ . 1]" 1
208 1 126 ARG HB2 1 127 PRO HG3 4.659 . 4.659 4.085 3.117 4.696 0.037 2 0 "[ . 1]" 1
209 1 126 ARG H 1 127 PRO HG3 . . 5.304 4.358 4.185 4.529 . 0 0 "[ . 1]" 1
210 1 127 PRO HB2 1 127 PRO HD3 5.507 3.500 5.507 3.994 3.897 4.098 . 0 0 "[ . 1]" 1
211 1 127 PRO HA 1 128 ASP HA 5.928 . 5.928 4.701 4.564 4.843 . 0 0 "[ . 1]" 1
212 1 127 PRO HB2 1 128 ASP HA 5.824 . 5.824 5.327 4.028 5.748 . 0 0 "[ . 1]" 1
213 1 127 PRO HA 1 128 ASP HB2 6.000 . 6.000 4.458 4.246 5.280 . 0 0 "[ . 1]" 1
214 1 127 PRO HD3 1 128 ASP H 5.868 . 5.868 4.341 3.387 4.973 . 0 0 "[ . 1]" 1
215 1 128 ASP HB2 1 129 ASP H 5.445 . 5.445 4.353 3.537 4.650 . 0 0 "[ . 1]" 1
216 1 129 ASP HA 1 130 LEU HA 4.648 . 4.648 4.745 4.573 4.805 0.157 6 0 "[ . 1]" 1
217 1 129 ASP HA 1 130 LEU MD1 6.000 . 6.000 3.763 2.436 5.232 . 0 0 "[ . 1]" 1
218 1 128 ASP HB3 1 131 GLU QG 6.000 . 6.000 3.116 2.170 5.792 . 0 0 "[ . 1]" 1
219 1 130 LEU H 1 131 GLU QG 5.424 . 5.424 4.311 4.027 5.079 . 0 0 "[ . 1]" 1
220 1 131 GLU QG 1 132 ILE HB 5.703 . 5.703 4.279 3.870 4.411 . 0 0 "[ . 1]" 1
221 1 131 GLU HA 1 132 ILE H 4.319 . 4.319 3.173 2.933 3.465 . 0 0 "[ . 1]" 1
222 1 32 SER HA 1 33 PRO HB3 6.000 . 6.000 5.628 5.213 6.376 0.376 6 0 "[ . 1]" 1
223 1 66 GLU HA 1 67 GLN HA 5.200 . 5.200 4.794 4.728 4.859 . 0 0 "[ . 1]" 1
224 1 84 PRO HD2 1 85 PHE HB2 6.000 . 6.000 4.981 4.033 6.254 0.254 1 0 "[ . 1]" 1
225 1 76 THR HA 1 77 ILE HB 5.000 . 5.000 4.536 4.321 4.953 . 0 0 "[ . 1]" 1
226 1 127 PRO HG3 1 130 LEU MD1 5.817 . 5.817 5.267 4.210 5.839 0.022 2 0 "[ . 1]" 1
227 1 120 ARG H 1 120 ARG HG3 . . 3.523 2.587 2.105 3.133 . 0 0 "[ . 1]" 1
228 1 6 PRO HA 1 8 LYS HE3 6.000 . 6.000 5.062 2.491 6.012 0.012 4 0 "[ . 1]" 1
229 1 45 ASN HB2 1 47 SER HB3 5.981 . 5.981 4.749 3.035 5.982 0.001 1 0 "[ . 1]" 1
230 1 75 SER HB3 1 77 ILE MD 6.000 . 6.000 4.290 3.214 5.576 . 0 0 "[ . 1]" 1
231 1 20 GLY H 1 21 CYS HA 6.000 . 6.000 4.537 4.227 5.331 . 0 0 "[ . 1]" 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 661
_Distance_constraint_stats_list.Viol_count 764
_Distance_constraint_stats_list.Viol_total 518.370
_Distance_constraint_stats_list.Viol_max 2.662
_Distance_constraint_stats_list.Viol_rms 0.0729
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0678
_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 2 PRO 0.004 0.004 7 0 "[ . 1]"
1 3 LEU 0.000 0.000 . 0 "[ . 1]"
1 4 GLY 0.017 0.008 1 0 "[ . 1]"
1 5 SER 0.058 0.020 3 0 "[ . 1]"
1 6 PRO 0.017 0.008 1 0 "[ . 1]"
1 7 SER 0.170 0.022 4 0 "[ . 1]"
1 8 LYS 0.121 0.020 9 0 "[ . 1]"
1 9 ASP 0.107 0.022 4 0 "[ . 1]"
1 10 CYS 0.033 0.018 1 0 "[ . 1]"
1 11 GLY 0.000 0.000 . 0 "[ . 1]"
1 12 SER 0.022 0.018 1 0 "[ . 1]"
1 13 PRO 0.000 0.000 . 0 "[ . 1]"
1 14 LYS 0.291 0.090 3 0 "[ . 1]"
1 15 TYR 0.081 0.032 9 0 "[ . 1]"
1 16 ALA 0.056 0.032 9 0 "[ . 1]"
1 17 TYR 1.929 0.800 3 2 "[ + . -]"
1 18 PHE 0.300 0.077 5 0 "[ . 1]"
1 19 ASN 0.098 0.036 9 0 "[ . 1]"
1 20 GLY 0.080 0.077 5 0 "[ . 1]"
1 21 CYS 0.063 0.029 10 0 "[ . 1]"
1 22 SER 0.000 0.000 . 0 "[ . 1]"
1 23 SER 0.092 0.029 10 0 "[ . 1]"
1 24 PRO 0.030 0.015 6 0 "[ . 1]"
1 25 THR 0.094 0.055 10 0 "[ . 1]"
1 26 ALA 0.217 0.055 10 0 "[ . 1]"
1 27 PRO 0.193 0.044 10 0 "[ . 1]"
1 28 LEU 3.096 0.735 1 3 "[+ * . - 1]"
1 29 SER 0.438 0.090 9 0 "[ . 1]"
1 31 MET 0.429 0.090 9 0 "[ . 1]"
1 32 SER 0.084 0.030 5 0 "[ . 1]"
1 34 PRO 0.019 0.013 1 0 "[ . 1]"
1 35 GLY 0.106 0.030 5 0 "[ . 1]"
1 36 TYR 0.213 0.066 3 0 "[ . 1]"
1 37 LYS 0.156 0.066 3 0 "[ . 1]"
1 38 LEU 0.029 0.015 3 0 "[ . 1]"
1 39 VAL 0.191 0.039 7 0 "[ . 1]"
1 40 THR 0.201 0.044 9 0 "[ . 1]"
1 41 GLY 0.138 0.063 9 0 "[ . 1]"
1 42 ASP 0.161 0.067 1 0 "[ . 1]"
1 43 ARG 0.081 0.043 7 0 "[ . 1]"
1 44 ASN 0.439 0.063 9 0 "[ . 1]"
1 45 ASN 0.259 0.039 1 0 "[ . 1]"
1 46 SER 0.630 0.088 7 0 "[ . 1]"
1 47 SER 0.370 0.088 7 0 "[ . 1]"
1 48 CYS 0.086 0.026 7 0 "[ . 1]"
1 49 ARG 0.217 0.101 6 0 "[ . 1]"
1 50 ASN 0.172 0.101 6 0 "[ . 1]"
1 51 TYR 0.086 0.026 4 0 "[ . 1]"
1 52 ASN 0.167 0.047 5 0 "[ . 1]"
1 53 LYS 3.472 0.531 6 3 "[- .+ *1]"
1 54 GLN 2.611 0.531 6 3 "[- .+ *1]"
1 55 ALA 0.034 0.014 4 0 "[ . 1]"
1 56 SER 0.186 0.037 10 0 "[ . 1]"
1 57 GLU 0.094 0.037 10 0 "[ . 1]"
1 58 GLN 0.116 0.055 5 0 "[ . 1]"
1 59 ASN 0.305 0.055 5 0 "[ . 1]"
1 60 TRP 0.433 0.052 2 0 "[ . 1]"
1 61 ALA 0.593 0.094 8 0 "[ . 1]"
1 62 ASN 2.594 0.729 7 2 "[ . + -]"
1 63 TYR 2.748 0.729 7 2 "[ . + -]"
1 64 SER 0.175 0.074 8 0 "[ . 1]"
1 65 ALA 0.153 0.043 5 0 "[ . 1]"
1 66 GLU 0.453 0.058 7 0 "[ . 1]"
1 67 GLN 1.062 0.136 10 0 "[ . 1]"
1 68 ASN 0.185 0.053 6 0 "[ . 1]"
1 69 ARG 1.163 0.115 8 0 "[ . 1]"
1 70 MET 2.431 0.136 10 0 "[ . 1]"
1 71 GLY 0.036 0.011 1 0 "[ . 1]"
1 72 GLN 0.000 0.000 . 0 "[ . 1]"
1 73 ALA 0.124 0.026 6 0 "[ . 1]"
1 74 GLY 0.208 0.081 4 0 "[ . 1]"
1 75 SER 0.266 0.081 4 0 "[ . 1]"
1 76 THR 0.388 0.068 2 0 "[ . 1]"
1 77 ILE 0.566 0.068 2 0 "[ . 1]"
1 78 SER 0.659 0.061 10 0 "[ . 1]"
1 79 ASN 0.659 0.058 5 0 "[ . 1]"
1 80 SER 0.549 0.074 3 0 "[ . 1]"
1 81 HIS 0.632 0.091 7 0 "[ . 1]"
1 82 ALA 0.052 0.036 4 0 "[ . 1]"
1 83 GLN 0.454 0.091 7 0 "[ . 1]"
1 84 PRO 0.171 0.065 9 0 "[ . 1]"
1 85 PHE 0.308 0.052 7 0 "[ . 1]"
1 86 ASP 0.708 0.094 3 0 "[ . 1]"
1 87 PHE 0.644 0.094 3 0 "[ . 1]"
1 88 PRO 0.231 0.042 3 0 "[ . 1]"
1 89 ASP 0.231 0.042 3 0 "[ . 1]"
1 90 ASP 0.098 0.021 9 0 "[ . 1]"
1 91 ASN 0.131 0.033 2 0 "[ . 1]"
1 92 GLN 0.111 0.033 2 0 "[ . 1]"
1 93 ASN 0.233 0.028 1 0 "[ . 1]"
1 94 ALA 0.045 0.021 9 0 "[ . 1]"
1 95 LYS 0.331 0.033 4 0 "[ . 1]"
1 96 LYS 0.011 0.009 2 0 "[ . 1]"
1 97 VAL 0.209 0.068 10 0 "[ . 1]"
1 98 ALA 0.209 0.047 2 0 "[ . 1]"
1 99 ALA 0.155 0.033 3 0 "[ . 1]"
1 100 GLY 0.177 0.032 3 0 "[ . 1]"
1 101 HIS 0.195 0.047 2 0 "[ . 1]"
1 102 GLU 0.259 0.065 8 0 "[ . 1]"
1 103 LEU 0.384 0.160 8 0 "[ . 1]"
1 104 GLN 2.473 0.596 8 3 "[ * +-1]"
1 105 PRO 0.000 0.000 . 0 "[ . 1]"
1 106 LEU 0.046 0.013 5 0 "[ . 1]"
1 107 ALA 0.626 0.142 9 0 "[ . 1]"
1 108 ILE 0.754 0.142 9 0 "[ . 1]"
1 109 VAL 1.160 0.412 8 0 "[ . 1]"
1 110 ASP 0.623 0.412 8 0 "[ . 1]"
1 111 GLN 0.296 0.077 5 0 "[ . 1]"
1 112 ARG 0.322 0.080 8 0 "[ . 1]"
1 113 PRO 0.006 0.006 1 0 "[ . 1]"
1 114 SER 0.232 0.050 2 0 "[ . 1]"
1 115 SER 1.145 0.367 6 0 "[ . 1]"
1 116 ARG 0.576 0.110 8 0 "[ . 1]"
1 117 ALA 9.631 2.662 4 7 "[* *+* * -*]"
1 118 SER 0.740 0.159 4 0 "[ . 1]"
1 119 SER 9.733 2.662 4 7 "[* *+* * -*]"
1 120 ARG 1.220 0.159 4 0 "[ . 1]"
1 121 ALA 0.683 0.065 6 0 "[ . 1]"
1 122 SER 0.349 0.065 6 0 "[ . 1]"
1 123 SER 0.074 0.028 6 0 "[ . 1]"
1 124 ARG 0.101 0.062 1 0 "[ . 1]"
1 125 PRO 0.000 0.000 . 0 "[ . 1]"
1 126 ARG 0.294 0.070 2 0 "[ . 1]"
1 127 PRO 0.081 0.071 1 0 "[ . 1]"
1 128 ASP 9.001 2.564 10 6 "[ ***. * -+]"
1 129 ASP 1.269 0.562 2 1 "[ + . 1]"
1 130 LEU 0.916 0.216 10 0 "[ . 1]"
1 131 GLU 9.580 2.564 10 6 "[ ***. * -+]"
1 132 ILE 0.356 0.172 7 0 "[ . 1]"
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 2 PRO HA 1 3 LEU H 3.279 . 3.279 2.538 2.171 3.092 . 0 0 "[ . 1]" 2
2 1 3 LEU H 1 4 GLY HA3 6.000 . 6.000 5.125 4.579 5.722 . 0 0 "[ . 1]" 2
3 1 3 LEU HA 1 4 GLY H 3.646 . 3.646 2.290 2.145 2.911 . 0 0 "[ . 1]" 2
4 1 3 LEU HB3 1 4 GLY H 5.656 . 5.656 4.083 3.111 4.450 . 0 0 "[ . 1]" 2
5 1 3 LEU HB2 1 4 GLY H 5.876 . 5.876 3.719 2.515 4.524 . 0 0 "[ . 1]" 2
6 1 3 LEU MD1 1 4 GLY H 6.000 . 6.000 4.846 4.207 5.577 . 0 0 "[ . 1]" 2
7 1 3 LEU H 1 4 GLY H 5.039 . 5.039 3.918 2.654 4.655 . 0 0 "[ . 1]" 2
8 1 2 PRO HB2 1 5 SER H 6.000 . 6.000 5.514 5.105 6.004 0.004 7 0 "[ . 1]" 2
9 1 3 LEU HA 1 5 SER H 6.000 . 6.000 4.334 3.340 4.955 . 0 0 "[ . 1]" 2
10 1 4 GLY HA3 1 5 SER H 3.154 . 3.154 2.670 2.312 2.973 . 0 0 "[ . 1]" 2
11 1 4 GLY H 1 5 SER H 4.492 . 4.492 2.633 2.012 3.564 . 0 0 "[ . 1]" 2
12 1 5 SER H 1 5 SER HB3 3.620 . 3.620 3.203 2.689 3.411 . 0 0 "[ . 1]" 2
13 1 4 GLY H 1 6 PRO HA 5.945 . 5.945 5.233 4.888 5.734 . 0 0 "[ . 1]" 2
14 1 5 SER HA 1 7 SER H 6.000 . 6.000 3.407 3.070 4.121 . 0 0 "[ . 1]" 2
15 1 6 PRO HB3 1 7 SER H 5.816 . 5.816 4.558 4.300 4.676 . 0 0 "[ . 1]" 2
16 1 6 PRO HB2 1 7 SER H 5.705 . 5.705 4.051 3.159 4.367 . 0 0 "[ . 1]" 2
17 1 6 PRO HD3 1 7 SER H 6.000 . 6.000 4.115 3.776 4.822 . 0 0 "[ . 1]" 2
18 1 7 SER H 1 7 SER HB3 4.297 . 4.297 3.244 2.479 3.861 . 0 0 "[ . 1]" 2
19 1 5 SER H 1 8 LYS H 6.000 . 6.000 5.898 5.318 6.020 0.020 3 0 "[ . 1]" 2
20 1 7 SER HB3 1 8 LYS H 5.067 . 5.067 3.978 3.191 4.402 . 0 0 "[ . 1]" 2
21 1 7 SER H 1 9 ASP HA 6.000 . 6.000 5.910 5.320 6.022 0.022 4 0 "[ . 1]" 2
22 1 7 SER HA 1 9 ASP H 5.454 . 5.454 4.745 4.481 5.461 0.007 6 0 "[ . 1]" 2
23 1 7 SER HB3 1 9 ASP H 6.000 . 6.000 3.902 3.025 4.246 . 0 0 "[ . 1]" 2
24 1 8 LYS HA 1 9 ASP H 3.825 . 3.825 3.153 2.496 3.566 . 0 0 "[ . 1]" 2
25 1 8 LYS HB3 1 9 ASP H 5.670 . 5.670 3.576 2.664 4.479 . 0 0 "[ . 1]" 2
26 1 8 LYS HB2 1 9 ASP H 6.000 . 6.000 3.125 1.973 4.453 . 0 0 "[ . 1]" 2
27 1 8 LYS HG3 1 9 ASP H 5.974 . 5.974 5.051 4.614 5.982 0.008 7 0 "[ . 1]" 2
28 1 8 LYS H 1 9 ASP H 6.000 . 6.000 3.367 2.655 4.008 . 0 0 "[ . 1]" 2
29 1 9 ASP H 1 9 ASP HB2 4.377 . 4.377 3.814 3.555 4.070 . 0 0 "[ . 1]" 2
30 1 7 SER HB3 1 10 CYS H 6.000 . 6.000 5.286 3.498 6.008 0.008 7 0 "[ . 1]" 2
31 1 9 ASP HA 1 10 CYS H 3.924 . 3.924 2.709 2.163 3.556 . 0 0 "[ . 1]" 2
32 1 9 ASP HB3 1 10 CYS H 5.959 . 5.959 4.093 2.893 4.613 . 0 0 "[ . 1]" 2
33 1 9 ASP HB2 1 10 CYS H 6.000 . 6.000 3.428 1.942 4.193 . 0 0 "[ . 1]" 2
34 1 10 CYS H 1 11 GLY HA3 6.000 . 6.000 5.133 4.281 5.516 . 0 0 "[ . 1]" 2
35 1 10 CYS HA 1 11 GLY H 4.505 . 4.505 3.226 2.236 3.572 . 0 0 "[ . 1]" 2
36 1 10 CYS HB2 1 11 GLY H 5.713 . 5.713 3.302 2.229 4.537 . 0 0 "[ . 1]" 2
37 1 10 CYS H 1 11 GLY H 4.965 . 4.965 2.809 1.999 3.935 . 0 0 "[ . 1]" 2
38 1 9 ASP HA 1 12 SER H 6.000 . 6.000 5.491 5.040 6.001 0.001 9 0 "[ . 1]" 2
39 1 10 CYS HA 1 12 SER H 5.986 . 5.986 5.092 3.894 5.814 . 0 0 "[ . 1]" 2
40 1 10 CYS HB2 1 12 SER H 6.000 . 6.000 4.867 2.917 6.018 0.018 1 0 "[ . 1]" 2
41 1 10 CYS H 1 12 SER H 6.000 . 6.000 4.375 3.809 6.003 0.003 2 0 "[ . 1]" 2
42 1 11 GLY HA3 1 12 SER H 3.805 . 3.805 3.211 2.517 3.568 . 0 0 "[ . 1]" 2
43 1 11 GLY H 1 12 SER H 4.849 . 4.849 2.336 2.000 2.751 . 0 0 "[ . 1]" 2
44 1 12 SER H 1 13 PRO HD3 6.000 . 6.000 3.754 2.149 4.350 . 0 0 "[ . 1]" 2
45 1 13 PRO HB3 1 14 LYS H 6.000 . 6.000 3.551 3.338 4.267 . 0 0 "[ . 1]" 2
46 1 13 PRO HD3 1 14 LYS H 6.000 . 6.000 4.429 4.246 5.210 . 0 0 "[ . 1]" 2
47 1 14 LYS H 1 14 LYS HD3 4.709 . 4.709 4.435 3.044 4.799 0.090 3 0 "[ . 1]" 2
48 1 12 SER HB3 1 15 TYR H 6.000 . 6.000 4.195 2.541 5.998 . 0 0 "[ . 1]" 2
49 1 14 LYS HA 1 15 TYR H 4.552 . 4.552 2.793 2.200 3.572 . 0 0 "[ . 1]" 2
50 1 14 LYS HD3 1 15 TYR H 5.495 . 5.495 4.579 3.430 5.514 0.019 5 0 "[ . 1]" 2
51 1 14 LYS H 1 15 TYR H 5.503 . 5.503 3.139 2.360 4.311 . 0 0 "[ . 1]" 2
52 1 15 TYR H 1 15 TYR HD1 5.685 . 5.685 4.725 4.111 5.166 . 0 0 "[ . 1]" 2
53 1 14 LYS H 1 16 ALA H 6.000 . 6.000 5.069 3.713 6.014 0.014 9 0 "[ . 1]" 2
54 1 15 TYR H 1 16 ALA HA 6.000 . 6.000 5.100 4.271 5.675 . 0 0 "[ . 1]" 2
55 1 15 TYR HA 1 16 ALA H 4.520 . 4.520 2.768 2.115 3.571 . 0 0 "[ . 1]" 2
56 1 15 TYR HB3 1 16 ALA H 5.993 . 5.993 3.319 1.854 4.486 . 0 0 "[ . 1]" 2
57 1 15 TYR HB2 1 16 ALA H 6.000 . 6.000 4.076 3.434 4.620 . 0 0 "[ . 1]" 2
58 1 15 TYR HD1 1 16 ALA H 6.000 . 6.000 3.286 2.377 4.282 . 0 0 "[ . 1]" 2
59 1 15 TYR HE1 1 16 ALA H 6.000 . 6.000 5.253 3.930 6.032 0.032 9 0 "[ . 1]" 2
60 1 15 TYR H 1 16 ALA H 5.816 . 5.816 3.440 2.458 4.477 . 0 0 "[ . 1]" 2
61 1 15 TYR HA 1 17 TYR H 5.597 . 5.597 4.714 3.506 5.604 0.007 10 0 "[ . 1]" 2
62 1 16 ALA H 1 17 TYR H 5.507 . 5.507 3.196 1.921 4.322 . 0 0 "[ . 1]" 2
63 1 17 TYR H 1 17 TYR HD2 6.000 . 6.000 4.639 3.972 5.613 . 0 0 "[ . 1]" 2
64 1 17 TYR H 1 17 TYR HE2 6.000 . 6.000 6.134 5.670 6.800 0.800 3 2 "[ + . -]" 2
65 1 15 TYR HD1 1 18 PHE H 6.000 . 6.000 4.902 3.776 6.009 0.009 4 0 "[ . 1]" 2
66 1 16 ALA MB 1 18 PHE H 6.000 . 6.000 3.697 2.318 4.568 . 0 0 "[ . 1]" 2
67 1 17 TYR HB2 1 18 PHE H 5.736 . 5.736 3.654 1.989 4.237 . 0 0 "[ . 1]" 2
68 1 17 TYR H 1 18 PHE H 3.670 . 3.670 2.451 1.776 3.594 0.024 8 0 "[ . 1]" 2
69 1 18 PHE H 1 18 PHE HD1 6.000 . 6.000 2.061 1.754 2.812 0.046 1 0 "[ . 1]" 2
70 1 17 TYR HB2 1 19 ASN H 6.000 . 6.000 4.936 4.354 5.127 . 0 0 "[ . 1]" 2
71 1 18 PHE HB3 1 19 ASN H 6.000 . 6.000 4.237 3.989 4.642 . 0 0 "[ . 1]" 2
72 1 18 PHE H 1 19 ASN H 4.485 . 4.485 2.904 2.574 3.858 . 0 0 "[ . 1]" 2
73 1 19 ASN H 1 19 ASN QD 5.676 . 5.676 4.154 3.022 4.725 . 0 0 "[ . 1]" 2
74 1 19 ASN H 1 19 ASN HD22 6.000 . 6.000 4.949 4.017 6.036 0.036 9 0 "[ . 1]" 2
75 1 18 PHE HA 1 20 GLY H 4.788 . 4.788 4.357 3.272 4.865 0.077 5 0 "[ . 1]" 2
76 1 19 ASN HB3 1 20 GLY H 6.000 . 6.000 3.229 1.986 4.470 . 0 0 "[ . 1]" 2
77 1 19 ASN H 1 20 GLY H 5.820 . 5.820 3.312 2.220 3.942 . 0 0 "[ . 1]" 2
78 1 19 ASN H 1 21 CYS H 6.000 . 6.000 5.621 4.708 6.029 0.029 10 0 "[ . 1]" 2
79 1 20 GLY HA3 1 21 CYS H 5.419 . 5.419 2.883 2.136 3.547 . 0 0 "[ . 1]" 2
80 1 20 GLY HA2 1 21 CYS H 5.302 . 5.302 3.053 2.182 3.563 . 0 0 "[ . 1]" 2
81 1 20 GLY H 1 21 CYS H 5.447 . 5.447 2.937 1.999 4.334 . 0 0 "[ . 1]" 2
82 1 21 CYS HB3 1 22 SER H 6.000 . 6.000 3.677 2.998 4.445 . 0 0 "[ . 1]" 2
83 1 21 CYS HB2 1 22 SER H 5.266 . 5.266 3.784 2.257 4.379 . 0 0 "[ . 1]" 2
84 1 21 CYS H 1 22 SER H 5.972 . 5.972 3.278 2.024 4.546 . 0 0 "[ . 1]" 2
85 1 22 SER HA 1 23 SER H 3.574 . 3.574 3.213 2.494 3.573 . 0 0 "[ . 1]" 2
86 1 22 SER H 1 23 SER H 6.000 . 6.000 3.063 2.525 4.036 . 0 0 "[ . 1]" 2
87 1 23 SER H 1 23 SER HB3 4.165 . 4.165 3.597 2.531 4.037 . 0 0 "[ . 1]" 2
88 1 23 SER HB3 1 25 THR H 6.000 . 6.000 3.234 2.629 3.864 . 0 0 "[ . 1]" 2
89 1 23 SER H 1 25 THR H 5.568 . 5.568 5.092 4.707 5.383 . 0 0 "[ . 1]" 2
90 1 24 PRO HA 1 25 THR H 4.031 . 4.031 3.167 2.553 3.454 . 0 0 "[ . 1]" 2
91 1 24 PRO HB3 1 25 THR H 5.943 . 5.943 4.380 4.230 4.565 . 0 0 "[ . 1]" 2
92 1 24 PRO HB2 1 25 THR H 5.629 . 5.629 3.630 3.053 4.327 . 0 0 "[ . 1]" 2
93 1 25 THR H 1 25 THR HG1 5.269 . 5.269 2.673 2.075 3.203 . 0 0 "[ . 1]" 2
94 1 23 SER HB3 1 26 ALA H 6.000 . 6.000 5.583 4.004 6.029 0.029 10 0 "[ . 1]" 2
95 1 24 PRO HB3 1 26 ALA H 6.000 . 6.000 5.607 5.165 6.015 0.015 6 0 "[ . 1]" 2
96 1 24 PRO HB2 1 26 ALA H 6.000 . 6.000 5.232 4.686 6.008 0.008 9 0 "[ . 1]" 2
97 1 25 THR H 1 26 ALA MB 6.000 . 6.000 4.874 4.219 5.273 . 0 0 "[ . 1]" 2
98 1 25 THR HA 1 26 ALA H 3.886 . 3.886 2.962 2.326 3.588 . 0 0 "[ . 1]" 2
99 1 25 THR HB 1 26 ALA H 5.373 . 5.373 3.450 2.272 4.449 . 0 0 "[ . 1]" 2
100 1 25 THR HG1 1 26 ALA H 5.653 . 5.653 4.309 2.453 5.625 . 0 0 "[ . 1]" 2
101 1 25 THR H 1 26 ALA H 3.931 . 3.931 3.281 2.230 3.986 0.055 10 0 "[ . 1]" 2
102 1 26 ALA H 1 27 PRO HA 6.000 . 6.000 5.094 4.472 5.567 . 0 0 "[ . 1]" 2
103 1 27 PRO HB2 1 28 LEU H 4.941 . 4.941 2.760 2.199 4.309 . 0 0 "[ . 1]" 2
104 1 27 PRO HD3 1 28 LEU H 5.514 . 5.514 5.495 5.276 5.558 0.044 10 0 "[ . 1]" 2
105 1 28 LEU H 1 28 LEU HA 2.953 . 2.953 2.920 2.847 2.948 . 0 0 "[ . 1]" 2
106 1 28 LEU H 1 28 LEU HG 3.686 . 3.686 3.754 3.126 4.421 0.735 1 3 "[+ * . - 1]" 2
107 1 28 LEU H 1 29 SER HB3 5.370 . 5.370 4.820 4.252 5.375 0.005 8 0 "[ . 1]" 2
108 1 28 LEU H 1 29 SER H 5.082 . 5.082 2.109 1.795 2.582 0.005 3 0 "[ . 1]" 2
109 1 29 SER HA 1 31 MET H 3.596 . 3.596 3.639 3.601 3.686 0.090 9 0 "[ . 1]" 2
110 1 31 MET H 1 32 SER H 5.120 . 5.120 4.232 3.039 4.651 . 0 0 "[ . 1]" 2
111 1 32 SER HA 1 35 GLY H 6.000 . 6.000 5.487 3.928 6.030 0.030 5 0 "[ . 1]" 2
112 1 34 PRO HA 1 35 GLY H 3.812 . 3.812 2.887 2.274 3.570 . 0 0 "[ . 1]" 2
113 1 34 PRO HB3 1 35 GLY H 5.585 . 5.585 4.290 3.554 4.649 . 0 0 "[ . 1]" 2
114 1 34 PRO HB2 1 35 GLY H 5.691 . 5.691 3.697 2.233 4.348 . 0 0 "[ . 1]" 2
115 1 34 PRO HD3 1 35 GLY H 6.000 . 6.000 4.588 3.670 5.118 . 0 0 "[ . 1]" 2
116 1 34 PRO HA 1 36 TYR H 6.000 . 6.000 4.486 3.468 6.006 0.006 3 0 "[ . 1]" 2
117 1 34 PRO HB3 1 36 TYR H 6.000 . 6.000 5.250 4.406 6.013 0.013 1 0 "[ . 1]" 2
118 1 34 PRO HB2 1 36 TYR H 6.000 . 6.000 4.209 2.903 5.537 . 0 0 "[ . 1]" 2
119 1 35 GLY H 1 36 TYR HA 6.000 . 6.000 5.012 4.434 5.577 . 0 0 "[ . 1]" 2
120 1 35 GLY H 1 36 TYR HD1 6.000 . 6.000 4.737 2.768 6.022 0.022 2 0 "[ . 1]" 2
121 1 35 GLY H 1 36 TYR H 5.022 . 5.022 3.117 2.124 4.213 . 0 0 "[ . 1]" 2
122 1 36 TYR H 1 36 TYR HD1 5.187 . 5.187 3.223 1.917 4.463 . 0 0 "[ . 1]" 2
123 1 36 TYR H 1 36 TYR HD2 6.000 . 6.000 4.515 3.500 5.225 . 0 0 "[ . 1]" 2
124 1 36 TYR H 1 36 TYR HE1 6.000 . 6.000 4.980 3.816 6.013 0.013 8 0 "[ . 1]" 2
125 1 36 TYR H 1 37 LYS HB3 6.000 . 6.000 5.017 4.208 6.066 0.066 3 0 "[ . 1]" 2
126 1 36 TYR HA 1 37 LYS H 4.024 . 4.024 2.551 2.147 2.929 . 0 0 "[ . 1]" 2
127 1 36 TYR HB2 1 37 LYS H 4.974 . 4.974 4.260 3.952 4.479 . 0 0 "[ . 1]" 2
128 1 36 TYR HD2 1 37 LYS H 6.000 . 6.000 5.741 5.209 6.017 0.017 3 0 "[ . 1]" 2
129 1 36 TYR H 1 37 LYS H 5.549 . 5.549 3.130 2.170 4.403 . 0 0 "[ . 1]" 2
130 1 37 LYS H 1 38 LEU H 3.705 . 3.705 2.305 1.912 3.102 . 0 0 "[ . 1]" 2
131 1 38 LEU HB3 1 39 VAL H 5.847 . 5.847 3.370 1.909 4.442 . 0 0 "[ . 1]" 2
132 1 38 LEU H 1 39 VAL H 4.848 . 4.848 3.418 1.798 4.601 0.002 9 0 "[ . 1]" 2
133 1 38 LEU HB3 1 40 THR H 6.000 . 6.000 5.164 3.534 6.015 0.015 3 0 "[ . 1]" 2
134 1 39 VAL HA 1 40 THR H 3.518 . 3.518 3.110 2.518 3.557 0.039 1 0 "[ . 1]" 2
135 1 39 VAL HB 1 40 THR H 5.084 . 5.084 3.575 2.184 4.437 . 0 0 "[ . 1]" 2
136 1 39 VAL H 1 40 THR H 3.003 . 3.003 2.557 1.989 3.020 0.017 9 0 "[ . 1]" 2
137 1 40 THR H 1 40 THR HG1 4.872 . 4.872 2.947 1.883 4.061 . 0 0 "[ . 1]" 2
138 1 39 VAL HA 1 41 GLY H 4.261 . 4.261 3.923 3.392 4.268 0.007 2 0 "[ . 1]" 2
139 1 39 VAL HB 1 41 GLY H 6.000 . 6.000 4.428 2.745 6.001 0.001 9 0 "[ . 1]" 2
140 1 39 VAL MG1 1 41 GLY H 6.000 . 6.000 3.267 1.945 5.130 . 0 0 "[ . 1]" 2
141 1 40 THR H 1 41 GLY HA3 6.000 . 6.000 5.078 4.499 5.387 . 0 0 "[ . 1]" 2
142 1 40 THR HG1 1 41 GLY H 4.908 . 4.908 4.280 2.936 4.910 0.002 9 0 "[ . 1]" 2
143 1 40 THR H 1 41 GLY H 4.976 . 4.976 2.997 2.372 3.822 . 0 0 "[ . 1]" 2
144 1 39 VAL MG1 1 42 ASP H 6.000 . 6.000 4.334 3.407 5.300 . 0 0 "[ . 1]" 2
145 1 40 THR HA 1 42 ASP H 5.338 . 5.338 4.539 3.326 5.342 0.004 10 0 "[ . 1]" 2
146 1 40 THR HB 1 42 ASP H 5.252 . 5.252 4.565 2.759 5.296 0.044 9 0 "[ . 1]" 2
147 1 40 THR HG1 1 42 ASP H 6.000 . 6.000 4.706 3.183 5.797 . 0 0 "[ . 1]" 2
148 1 41 GLY H 1 42 ASP HA 6.000 . 6.000 4.966 4.738 5.359 . 0 0 "[ . 1]" 2
149 1 41 GLY H 1 42 ASP HB3 6.000 . 6.000 5.745 5.102 6.009 0.009 4 0 "[ . 1]" 2
150 1 41 GLY HA3 1 42 ASP H 3.575 . 3.575 3.097 2.388 3.496 . 0 0 "[ . 1]" 2
151 1 41 GLY H 1 42 ASP H 3.960 . 3.960 2.581 2.059 3.654 . 0 0 "[ . 1]" 2
152 1 42 ASP H 1 42 ASP HB3 4.183 . 4.183 3.440 2.486 3.869 . 0 0 "[ . 1]" 2
153 1 42 ASP H 1 42 ASP HB2 4.173 . 4.173 2.781 2.459 3.938 . 0 0 "[ . 1]" 2
154 1 41 GLY H 1 43 ARG HG3 6.000 . 6.000 5.355 2.801 6.004 0.004 1 0 "[ . 1]" 2
155 1 41 GLY HA3 1 43 ARG H 6.000 . 6.000 5.035 3.641 5.822 . 0 0 "[ . 1]" 2
156 1 42 ASP H 1 43 ARG HG3 6.000 . 6.000 4.794 3.338 5.970 . 0 0 "[ . 1]" 2
157 1 42 ASP H 1 43 ARG H 4.714 . 4.714 2.740 1.959 4.404 . 0 0 "[ . 1]" 2
158 1 43 ARG H 1 43 ARG HG3 4.313 . 4.313 2.879 2.050 3.806 . 0 0 "[ . 1]" 2
159 1 39 VAL MG1 1 44 ASN H 6.000 . 6.000 4.902 3.570 6.039 0.039 7 0 "[ . 1]" 2
160 1 41 GLY H 1 44 ASN QD 6.000 . 6.000 5.370 4.342 6.063 0.063 9 0 "[ . 1]" 2
161 1 42 ASP H 1 44 ASN QD 6.000 . 6.000 5.263 4.017 6.002 0.002 8 0 "[ . 1]" 2
162 1 42 ASP HB3 1 44 ASN H 6.000 . 6.000 4.769 2.604 6.001 0.001 5 0 "[ . 1]" 2
163 1 43 ARG H 1 44 ASN HA 5.974 . 5.974 4.954 4.346 5.975 0.001 7 0 "[ . 1]" 2
164 1 43 ARG HA 1 44 ASN H 4.037 . 4.037 3.099 2.086 3.542 . 0 0 "[ . 1]" 2
165 1 43 ARG HB2 1 44 ASN H 5.446 . 5.446 3.804 3.136 4.266 . 0 0 "[ . 1]" 2
166 1 43 ARG HG3 1 44 ASN H 5.225 . 5.225 4.302 2.097 5.268 0.043 7 0 "[ . 1]" 2
167 1 44 ASN HB2 1 44 ASN HD22 4.054 . 4.054 3.629 3.420 3.943 . 0 0 "[ . 1]" 2
168 1 44 ASN H 1 44 ASN HB3 4.400 . 4.400 3.579 2.506 4.104 . 0 0 "[ . 1]" 2
169 1 44 ASN H 1 44 ASN HB2 4.312 . 4.312 3.605 2.567 4.134 . 0 0 "[ . 1]" 2
170 1 44 ASN H 1 44 ASN HD22 5.937 . 5.937 4.382 3.395 5.768 . 0 0 "[ . 1]" 2
171 1 44 ASN HD22 1 45 ASN HD22 5.391 . 5.391 4.505 2.192 5.430 0.039 1 0 "[ . 1]" 2
172 1 44 ASN H 1 45 ASN H 4.510 . 4.510 2.906 1.962 3.743 . 0 0 "[ . 1]" 2
173 1 45 ASN H 1 45 ASN HD22 6.000 . 6.000 3.629 3.201 4.018 . 0 0 "[ . 1]" 2
174 1 42 ASP HA 1 46 SER H 5.856 . 5.856 5.197 3.540 5.923 0.067 1 0 "[ . 1]" 2
175 1 43 ARG HB3 1 46 SER H 6.000 . 6.000 4.939 2.716 6.023 0.023 9 0 "[ . 1]" 2
176 1 44 ASN QD 1 46 SER H 6.000 . 6.000 5.097 1.893 6.047 0.047 10 0 "[ . 1]" 2
177 1 44 ASN H 1 46 SER H 6.000 . 6.000 3.799 3.051 4.567 . 0 0 "[ . 1]" 2
178 1 45 ASN HA 1 46 SER H 3.921 . 3.921 3.492 3.234 3.568 . 0 0 "[ . 1]" 2
179 1 45 ASN HB2 1 46 SER H 5.132 . 5.132 3.041 2.062 4.296 . 0 0 "[ . 1]" 2
180 1 45 ASN HD22 1 46 SER H 6.000 . 6.000 5.015 3.934 5.685 . 0 0 "[ . 1]" 2
181 1 45 ASN H 1 46 SER H 4.401 . 4.401 2.338 1.918 3.116 . 0 0 "[ . 1]" 2
182 1 46 SER H 1 46 SER HB3 4.107 . 4.107 3.783 3.193 4.146 0.039 2 0 "[ . 1]" 2
183 1 46 SER H 1 47 SER HB3 4.353 . 4.353 4.136 3.676 4.441 0.088 7 0 "[ . 1]" 2
184 1 47 SER H 1 47 SER HB3 4.363 . 4.363 2.909 2.332 3.105 . 0 0 "[ . 1]" 2
185 1 45 ASN HB2 1 48 CYS H 6.000 . 6.000 5.843 4.796 6.026 0.026 7 0 "[ . 1]" 2
186 1 47 SER HB3 1 48 CYS H 5.192 . 5.192 4.458 3.231 4.654 . 0 0 "[ . 1]" 2
187 1 47 SER H 1 48 CYS H 5.169 . 5.169 3.293 2.771 4.409 . 0 0 "[ . 1]" 2
188 1 47 SER HA 1 49 ARG H 4.356 . 4.356 3.961 3.099 4.373 0.017 8 0 "[ . 1]" 2
189 1 48 CYS H 1 49 ARG HA 5.825 . 5.825 4.699 4.443 5.524 . 0 0 "[ . 1]" 2
190 1 48 CYS HB3 1 49 ARG H 5.248 . 5.248 3.609 2.743 4.613 . 0 0 "[ . 1]" 2
191 1 48 CYS H 1 49 ARG H 4.653 . 4.653 2.372 1.803 3.693 . 0 0 "[ . 1]" 2
192 1 49 ARG H 1 49 ARG HG3 5.122 . 5.122 3.969 3.359 4.557 . 0 0 "[ . 1]" 2
193 1 48 CYS HA 1 50 ASN H 5.432 . 5.432 4.544 3.189 5.440 0.008 5 0 "[ . 1]" 2
194 1 49 ARG H 1 50 ASN HA 5.200 . 5.200 4.458 3.885 5.224 0.024 7 0 "[ . 1]" 2
195 1 49 ARG H 1 50 ASN HB2 5.052 . 5.052 4.721 3.945 5.153 0.101 6 0 "[ . 1]" 2
196 1 49 ARG HA 1 50 ASN H 4.524 . 4.524 3.148 2.472 3.546 . 0 0 "[ . 1]" 2
197 1 49 ARG HB2 1 50 ASN H 5.487 . 5.487 3.702 2.541 4.512 . 0 0 "[ . 1]" 2
198 1 49 ARG HG3 1 50 ASN H 6.000 . 6.000 4.630 2.049 5.954 . 0 0 "[ . 1]" 2
199 1 50 ASN H 1 50 ASN HD22 6.000 . 6.000 4.504 3.291 5.020 . 0 0 "[ . 1]" 2
200 1 49 ARG HA 1 51 TYR H 6.000 . 6.000 4.583 3.327 6.003 0.003 5 0 "[ . 1]" 2
201 1 49 ARG HB2 1 51 TYR H 6.000 . 6.000 5.220 3.586 6.012 0.012 6 0 "[ . 1]" 2
202 1 50 ASN HA 1 51 TYR H 4.457 . 4.457 2.923 2.150 3.564 . 0 0 "[ . 1]" 2
203 1 50 ASN HB2 1 51 TYR H 5.477 . 5.477 3.346 1.955 4.474 . 0 0 "[ . 1]" 2
204 1 50 ASN H 1 51 TYR H 5.248 . 5.248 3.288 1.885 4.547 . 0 0 "[ . 1]" 2
205 1 51 TYR H 1 51 TYR HD2 5.399 . 5.399 4.414 3.109 5.209 . 0 0 "[ . 1]" 2
206 1 51 TYR H 1 51 TYR HE1 6.000 . 6.000 4.924 3.857 5.747 . 0 0 "[ . 1]" 2
207 1 50 ASN HB2 1 52 ASN H 5.040 . 5.040 4.424 3.178 5.049 0.009 7 0 "[ . 1]" 2
208 1 51 TYR HA 1 52 ASN H 4.768 . 4.768 2.762 2.157 3.554 . 0 0 "[ . 1]" 2
209 1 51 TYR HB2 1 52 ASN H 5.369 . 5.369 3.698 1.934 4.473 . 0 0 "[ . 1]" 2
210 1 51 TYR H 1 52 ASN H 4.608 . 4.608 3.531 1.947 4.254 . 0 0 "[ . 1]" 2
211 1 52 ASN H 1 52 ASN HD22 5.552 . 5.552 4.564 4.272 4.979 . 0 0 "[ . 1]" 2
212 1 51 TYR HB2 1 53 LYS H 6.000 . 6.000 5.256 3.224 6.026 0.026 4 0 "[ . 1]" 2
213 1 52 ASN H 1 53 LYS HA 4.597 . 4.597 4.364 4.035 4.617 0.020 7 0 "[ . 1]" 2
214 1 52 ASN H 1 53 LYS HG3 5.348 . 5.348 4.284 2.789 5.366 0.018 1 0 "[ . 1]" 2
215 1 52 ASN HA 1 53 LYS H 4.346 . 4.346 3.295 2.154 3.559 . 0 0 "[ . 1]" 2
216 1 52 ASN HB3 1 53 LYS H 5.864 . 5.864 3.996 3.845 4.639 . 0 0 "[ . 1]" 2
217 1 52 ASN HB2 1 53 LYS H 5.714 . 5.714 3.656 3.271 4.306 . 0 0 "[ . 1]" 2
218 1 52 ASN HD22 1 53 LYS H 6.000 . 6.000 3.984 3.296 6.047 0.047 5 0 "[ . 1]" 2
219 1 52 ASN H 1 53 LYS H 4.316 . 4.316 2.459 1.902 3.988 . 0 0 "[ . 1]" 2
220 1 53 LYS H 1 53 LYS HE3 6.000 . 6.000 5.353 3.722 6.395 0.395 2 0 "[ . 1]" 2
221 1 53 LYS H 1 53 LYS HG3 4.746 . 4.746 3.471 2.753 4.366 . 0 0 "[ . 1]" 2
222 1 52 ASN HB3 1 54 GLN H 4.984 . 4.984 4.471 4.180 4.998 0.014 5 0 "[ . 1]" 2
223 1 52 ASN H 1 54 GLN H 5.940 . 5.940 4.668 4.253 5.304 . 0 0 "[ . 1]" 2
224 1 53 LYS H 1 54 GLN HB2 6.000 . 6.000 5.865 4.928 6.531 0.531 6 3 "[- .+ *1]" 2
225 1 53 LYS H 1 54 GLN H 4.234 . 4.234 2.855 2.662 3.295 . 0 0 "[ . 1]" 2
226 1 52 ASN HB2 1 55 ALA H 6.000 . 6.000 5.712 4.681 6.014 0.014 4 0 "[ . 1]" 2
227 1 52 ASN QD 1 55 ALA H 6.000 . 6.000 4.275 3.318 4.961 . 0 0 "[ . 1]" 2
228 1 54 GLN HA 1 55 ALA H 6.000 . 6.000 2.776 2.545 3.572 . 0 0 "[ . 1]" 2
229 1 54 GLN HB3 1 55 ALA H 5.175 . 5.175 3.354 1.896 4.645 . 0 0 "[ . 1]" 2
230 1 54 GLN HB2 1 55 ALA H 5.842 . 5.842 3.052 1.942 4.440 . 0 0 "[ . 1]" 2
231 1 54 GLN HG3 1 55 ALA H 5.701 . 5.701 3.943 2.940 4.538 . 0 0 "[ . 1]" 2
232 1 54 GLN HB3 1 56 SER H 6.000 . 6.000 4.871 2.908 6.018 0.018 5 0 "[ . 1]" 2
233 1 54 GLN HG3 1 56 SER H 6.000 . 6.000 5.000 2.113 6.010 0.010 8 0 "[ . 1]" 2
234 1 55 ALA HA 1 56 SER H 4.165 . 4.165 2.703 2.283 3.558 . 0 0 "[ . 1]" 2
235 1 55 ALA MB 1 56 SER H 5.458 . 5.458 3.397 1.978 3.716 . 0 0 "[ . 1]" 2
236 1 55 ALA HA 1 57 GLU H 4.629 . 4.629 4.225 3.391 4.637 0.008 2 0 "[ . 1]" 2
237 1 55 ALA MB 1 57 GLU H 6.000 . 6.000 4.576 2.585 5.468 . 0 0 "[ . 1]" 2
238 1 56 SER H 1 57 GLU HA 4.704 . 4.704 4.283 3.906 4.741 0.037 10 0 "[ . 1]" 2
239 1 56 SER HA 1 57 GLU H 5.150 . 5.150 3.298 2.408 3.578 . 0 0 "[ . 1]" 2
240 1 56 SER HB3 1 57 GLU H 5.579 . 5.579 3.221 2.223 4.629 . 0 0 "[ . 1]" 2
241 1 56 SER H 1 57 GLU H 4.312 . 4.312 2.334 1.894 3.464 . 0 0 "[ . 1]" 2
242 1 57 GLU H 1 57 GLU HG2 5.303 . 5.303 2.989 1.962 3.553 . 0 0 "[ . 1]" 2
243 1 57 GLU H 1 58 GLN H 4.431 . 4.431 3.807 3.069 4.338 . 0 0 "[ . 1]" 2
244 1 58 GLN HA 1 58 GLN HE22 6.000 . 6.000 4.002 3.649 4.340 . 0 0 "[ . 1]" 2
245 1 56 SER H 1 59 ASN QD 6.000 . 6.000 5.671 3.536 6.018 0.018 5 0 "[ . 1]" 2
246 1 57 GLU HA 1 59 ASN HD21 5.628 . 5.628 3.532 2.891 4.342 . 0 0 "[ . 1]" 2
247 1 58 GLN H 1 59 ASN HA 6.000 . 6.000 4.981 4.355 5.412 . 0 0 "[ . 1]" 2
248 1 58 GLN H 1 59 ASN HB3 6.000 . 6.000 5.253 3.972 6.055 0.055 5 0 "[ . 1]" 2
249 1 58 GLN HA 1 59 ASN H 4.484 . 4.484 2.944 2.815 3.118 . 0 0 "[ . 1]" 2
250 1 58 GLN HB2 1 59 ASN H 5.740 . 5.740 4.062 3.830 4.168 . 0 0 "[ . 1]" 2
251 1 58 GLN H 1 59 ASN H 4.382 . 4.382 2.533 2.272 2.816 . 0 0 "[ . 1]" 2
252 1 59 ASN H 1 59 ASN HB2 3.923 . 3.923 3.297 2.462 3.883 . 0 0 "[ . 1]" 2
253 1 57 GLU HB2 1 60 TRP H 6.000 . 6.000 5.579 4.990 6.013 0.013 9 0 "[ . 1]" 2
254 1 58 GLN HA 1 60 TRP HE1 6.000 . 6.000 3.055 2.378 3.586 . 0 0 "[ . 1]" 2
255 1 58 GLN HB3 1 60 TRP HE1 6.000 . 6.000 5.406 4.765 6.006 0.006 5 0 "[ . 1]" 2
256 1 58 GLN HE22 1 60 TRP HE1 5.539 3.000 5.539 4.604 3.532 5.331 . 0 0 "[ . 1]" 2
257 1 58 GLN H 1 60 TRP HE1 5.758 . 5.758 3.683 2.257 5.215 . 0 0 "[ . 1]" 2
258 1 58 GLN HA 1 60 TRP H 5.826 . 5.826 3.445 3.011 3.797 . 0 0 "[ . 1]" 2
259 1 58 GLN HB3 1 60 TRP H 6.000 . 6.000 5.031 4.090 5.540 . 0 0 "[ . 1]" 2
260 1 58 GLN HB2 1 60 TRP H 6.000 . 6.000 5.482 4.813 5.985 . 0 0 "[ . 1]" 2
261 1 58 GLN H 1 60 TRP H 4.567 . 4.567 4.492 3.931 4.581 0.014 9 0 "[ . 1]" 2
262 1 59 ASN H 1 60 TRP HE1 6.000 . 6.000 3.989 2.929 4.907 . 0 0 "[ . 1]" 2
263 1 59 ASN QD 1 60 TRP H 6.000 . 6.000 5.168 4.970 5.302 . 0 0 "[ . 1]" 2
264 1 59 ASN HD21 1 60 TRP H 5.837 . 5.837 5.600 5.218 5.821 . 0 0 "[ . 1]" 2
265 1 60 TRP H 1 60 TRP HD1 6.000 . 6.000 2.193 2.003 2.932 . 0 0 "[ . 1]" 2
266 1 60 TRP H 1 60 TRP HZ2 6.000 . 6.000 6.028 6.003 6.052 0.052 2 0 "[ . 1]" 2
267 1 59 ASN HB2 1 61 ALA H 6.000 . 6.000 5.951 5.566 6.040 0.040 4 0 "[ . 1]" 2
268 1 59 ASN H 1 61 ALA H 5.384 . 5.384 4.324 4.035 4.747 . 0 0 "[ . 1]" 2
269 1 60 TRP HA 1 61 ALA H 5.071 . 5.071 3.527 3.481 3.559 . 0 0 "[ . 1]" 2
270 1 60 TRP QB 1 61 ALA H 5.854 . 5.854 3.337 3.008 3.543 . 0 0 "[ . 1]" 2
271 1 60 TRP HZ2 1 61 ALA H 6.000 . 6.000 5.275 4.931 5.699 . 0 0 "[ . 1]" 2
272 1 60 TRP HZ3 1 61 ALA H 6.000 . 6.000 5.571 4.747 6.025 0.025 6 0 "[ . 1]" 2
273 1 60 TRP QB 1 62 ASN H 6.000 . 6.000 5.246 3.981 5.718 . 0 0 "[ . 1]" 2
274 1 60 TRP HZ2 1 62 ASN H 6.000 . 6.000 5.677 4.896 6.020 0.020 10 0 "[ . 1]" 2
275 1 61 ALA H 1 62 ASN QD 6.000 . 6.000 4.439 3.351 5.423 . 0 0 "[ . 1]" 2
276 1 61 ALA HA 1 62 ASN H 4.534 . 4.534 2.698 2.134 3.543 . 0 0 "[ . 1]" 2
277 1 61 ALA MB 1 62 ASN H 6.000 . 6.000 3.252 2.023 3.693 . 0 0 "[ . 1]" 2
278 1 61 ALA H 1 63 TYR HE1 6.000 . 6.000 5.327 2.824 6.043 0.043 8 0 "[ . 1]" 2
279 1 61 ALA HA 1 63 TYR H 6.000 . 6.000 4.150 3.326 6.094 0.094 8 0 "[ . 1]" 2
280 1 61 ALA MB 1 63 TYR H 6.000 . 6.000 3.885 2.187 6.030 0.030 8 0 "[ . 1]" 2
281 1 62 ASN H 1 63 TYR HD1 6.000 . 6.000 3.716 2.311 5.086 . 0 0 "[ . 1]" 2
282 1 62 ASN H 1 63 TYR HE1 6.000 . 6.000 4.391 2.572 6.021 0.021 3 0 "[ . 1]" 2
283 1 62 ASN HB3 1 63 TYR H 5.686 . 5.686 4.077 2.850 4.664 . 0 0 "[ . 1]" 2
284 1 62 ASN HB2 1 63 TYR H 5.850 . 5.850 3.525 1.769 4.446 0.031 8 0 "[ . 1]" 2
285 1 62 ASN QD 1 63 TYR H 5.000 . 5.000 4.944 3.815 5.729 0.729 7 2 "[ . + -]" 2
286 1 61 ALA HA 1 64 SER H 6.000 . 6.000 5.515 4.079 6.074 0.074 8 0 "[ . 1]" 2
287 1 62 ASN HA 1 64 SER H 6.000 . 6.000 4.348 3.829 6.003 0.003 3 0 "[ . 1]" 2
288 1 63 TYR HB3 1 64 SER H 5.054 . 5.054 3.915 3.423 4.579 . 0 0 "[ . 1]" 2
289 1 63 TYR HD1 1 64 SER H 5.448 . 5.448 3.944 3.589 4.649 . 0 0 "[ . 1]" 2
290 1 63 TYR H 1 64 SER H 5.225 . 5.225 2.535 1.952 3.444 . 0 0 "[ . 1]" 2
291 1 62 ASN HB3 1 65 ALA H 6.000 . 6.000 5.862 5.446 6.043 0.043 5 0 "[ . 1]" 2
292 1 63 TYR HA 1 65 ALA H 5.000 . 5.000 4.523 3.659 5.029 0.029 3 0 "[ . 1]" 2
293 1 63 TYR HB3 1 65 ALA H 6.000 . 6.000 5.040 3.231 5.980 . 0 0 "[ . 1]" 2
294 1 64 SER H 1 65 ALA MB 5.000 . 5.000 4.231 3.652 4.816 . 0 0 "[ . 1]" 2
295 1 64 SER HA 1 65 ALA H 6.000 . 6.000 3.023 2.749 3.486 . 0 0 "[ . 1]" 2
296 1 64 SER HB3 1 65 ALA H 6.000 . 6.000 4.225 3.009 4.625 . 0 0 "[ . 1]" 2
297 1 64 SER HB2 1 65 ALA H 5.905 . 5.905 4.223 3.913 4.606 . 0 0 "[ . 1]" 2
298 1 63 TYR HB3 1 66 GLU H 6.000 . 6.000 5.340 3.042 6.021 0.021 5 0 "[ . 1]" 2
299 1 64 SER H 1 66 GLU HG2 5.000 . 5.000 4.392 3.461 5.003 0.003 5 0 "[ . 1]" 2
300 1 64 SER HA 1 66 GLU H 6.000 . 6.000 4.458 3.727 5.195 . 0 0 "[ . 1]" 2
301 1 64 SER HB2 1 66 GLU H 6.000 . 6.000 5.188 3.279 6.013 0.013 7 0 "[ . 1]" 2
302 1 65 ALA H 1 66 GLU HG3 6.000 . 6.000 5.032 2.872 5.870 . 0 0 "[ . 1]" 2
303 1 65 ALA MB 1 66 GLU H 4.151 . 4.151 3.347 2.487 3.719 . 0 0 "[ . 1]" 2
304 1 65 ALA MB 1 67 GLN H 6.000 . 6.000 4.114 2.176 4.946 . 0 0 "[ . 1]" 2
305 1 66 GLU HA 1 67 GLN H 3.600 . 3.600 3.398 3.046 3.554 . 0 0 "[ . 1]" 2
306 1 66 GLU H 1 67 GLN H 2.833 . 2.833 2.473 1.988 2.817 . 0 0 "[ . 1]" 2
307 1 65 ALA MB 1 68 ASN H 5.400 . 5.400 4.238 3.217 5.369 . 0 0 "[ . 1]" 2
308 1 66 GLU HA 1 68 ASN H 4.563 . 4.563 4.392 3.956 4.573 0.010 8 0 "[ . 1]" 2
309 1 66 GLU H 1 68 ASN H 4.800 . 4.800 4.412 3.927 4.734 . 0 0 "[ . 1]" 2
310 1 67 GLN HA 1 68 ASN H 3.600 . 3.600 3.556 3.536 3.570 . 0 0 "[ . 1]" 2
311 1 67 GLN HB3 1 68 ASN H 3.703 . 3.703 3.487 3.241 3.702 . 0 0 "[ . 1]" 2
312 1 67 GLN HB2 1 68 ASN H 2.814 . 2.814 2.444 2.216 2.647 . 0 0 "[ . 1]" 2
313 1 67 GLN H 1 68 ASN H 3.342 2.200 3.342 2.783 2.692 2.884 . 0 0 "[ . 1]" 2
314 1 66 GLU HA 1 69 ARG H 3.544 . 3.544 3.385 3.182 3.543 . 0 0 "[ . 1]" 2
315 1 67 GLN HA 1 69 ARG H 5.000 . 5.000 4.293 4.229 4.361 . 0 0 "[ . 1]" 2
316 1 67 GLN HB2 1 69 ARG H 6.000 . 6.000 4.862 4.608 5.057 . 0 0 "[ . 1]" 2
317 1 68 ASN HA 1 69 ARG H 3.531 . 3.531 3.493 3.477 3.517 . 0 0 "[ . 1]" 2
318 1 68 ASN HB2 1 69 ARG H 3.348 . 3.348 2.526 2.404 2.586 . 0 0 "[ . 1]" 2
319 1 68 ASN QD 1 69 ARG H 6.000 . 6.000 4.411 4.034 5.096 . 0 0 "[ . 1]" 2
320 1 68 ASN HD22 1 69 ARG H 6.000 . 6.000 5.711 5.488 6.053 0.053 6 0 "[ . 1]" 2
321 1 68 ASN H 1 69 ARG H 4.133 . 4.133 2.702 2.638 2.779 . 0 0 "[ . 1]" 2
322 1 66 GLU HA 1 70 MET H 4.279 . 4.279 4.314 4.296 4.337 0.058 7 0 "[ . 1]" 2
323 1 67 GLN HB3 1 70 MET H 5.000 . 5.000 5.106 5.070 5.136 0.136 10 0 "[ . 1]" 2
324 1 68 ASN HA 1 70 MET H 4.600 . 4.600 4.439 4.368 4.606 0.006 4 0 "[ . 1]" 2
325 1 69 ARG H 1 70 MET HA 6.000 . 6.000 5.304 5.258 5.370 . 0 0 "[ . 1]" 2
326 1 69 ARG HA 1 70 MET H 4.235 . 4.235 3.538 3.531 3.548 . 0 0 "[ . 1]" 2
327 1 69 ARG HB3 1 70 MET H 3.190 . 3.190 3.283 3.255 3.305 0.115 8 0 "[ . 1]" 2
328 1 69 ARG HD3 1 70 MET H 5.000 . 5.000 4.757 4.472 5.062 0.062 4 0 "[ . 1]" 2
329 1 69 ARG HG3 1 70 MET H 5.086 . 5.086 4.790 4.311 5.054 . 0 0 "[ . 1]" 2
330 1 69 ARG H 1 70 MET H 3.080 . 3.080 2.713 2.653 2.800 . 0 0 "[ . 1]" 2
331 1 68 ASN HA 1 71 GLY H 3.500 . 3.500 3.266 3.151 3.385 . 0 0 "[ . 1]" 2
332 1 69 ARG HA 1 71 GLY H 5.060 . 5.060 4.213 4.104 4.305 . 0 0 "[ . 1]" 2
333 1 69 ARG HB2 1 71 GLY H 6.000 . 6.000 4.794 4.728 4.872 . 0 0 "[ . 1]" 2
334 1 70 MET H 1 71 GLY HA3 4.953 . 4.953 4.800 4.721 4.948 . 0 0 "[ . 1]" 2
335 1 70 MET HA 1 71 GLY H 3.967 . 3.967 3.465 3.442 3.490 . 0 0 "[ . 1]" 2
336 1 70 MET HG2 1 71 GLY H 6.000 . 6.000 3.629 2.959 4.369 . 0 0 "[ . 1]" 2
337 1 68 ASN HA 1 72 GLN H 4.587 . 4.587 4.199 4.077 4.329 . 0 0 "[ . 1]" 2
338 1 71 GLY H 1 72 GLN HG3 5.200 . 5.200 4.828 4.694 5.023 . 0 0 "[ . 1]" 2
339 1 71 GLY H 1 72 GLN H 3.140 . 3.140 2.705 2.626 2.816 . 0 0 "[ . 1]" 2
340 1 71 GLY HA3 1 73 ALA H 5.271 . 5.271 5.045 4.814 5.139 . 0 0 "[ . 1]" 2
341 1 71 GLY H 1 73 ALA H 4.400 . 4.400 4.373 4.207 4.411 0.011 1 0 "[ . 1]" 2
342 1 72 GLN HB3 1 73 ALA H 3.054 . 3.054 2.946 2.933 2.990 . 0 0 "[ . 1]" 2
343 1 72 GLN HB2 1 73 ALA H 3.263 . 3.263 2.123 2.102 2.189 . 0 0 "[ . 1]" 2
344 1 72 GLN H 1 73 ALA H 3.160 . 3.160 2.741 2.632 2.855 . 0 0 "[ . 1]" 2
345 1 72 GLN HA 1 74 GLY H 4.654 3.100 4.654 4.096 3.868 4.437 . 0 0 "[ . 1]" 2
346 1 70 MET HA 1 74 GLY H 4.444 . 4.444 3.720 3.264 4.154 . 0 0 "[ . 1]" 2
347 1 73 ALA MB 1 74 GLY H 3.765 . 3.765 2.666 2.419 2.864 . 0 0 "[ . 1]" 2
348 1 73 ALA H 1 74 GLY H 3.330 2.800 3.330 2.974 2.904 3.079 . 0 0 "[ . 1]" 2
349 1 73 ALA HA 1 75 SER H 4.564 . 4.564 4.531 4.367 4.590 0.026 6 0 "[ . 1]" 2
350 1 73 ALA MB 1 75 SER H 5.500 . 5.500 4.478 4.319 4.552 . 0 0 "[ . 1]" 2
351 1 73 ALA H 1 75 SER H 4.277 . 4.277 4.210 4.107 4.289 0.012 3 0 "[ . 1]" 2
352 1 74 GLY H 1 75 SER HA 6.000 . 6.000 4.964 4.743 5.241 . 0 0 "[ . 1]" 2
353 1 74 GLY H 1 75 SER HB3 5.500 . 5.500 4.835 4.365 5.581 0.081 4 0 "[ . 1]" 2
354 1 74 GLY HA3 1 75 SER H 3.586 2.100 3.586 2.962 2.870 3.108 . 0 0 "[ . 1]" 2
355 1 74 GLY H 1 75 SER H 3.068 . 3.068 2.310 2.048 2.619 . 0 0 "[ . 1]" 2
356 1 74 GLY H 1 76 THR H 4.016 . 4.016 3.941 3.787 4.056 0.040 6 0 "[ . 1]" 2
357 1 75 SER HA 1 76 THR H 3.654 2.300 3.654 3.486 3.389 3.555 . 0 0 "[ . 1]" 2
358 1 75 SER H 1 76 THR H 3.065 . 3.065 2.516 2.368 2.615 . 0 0 "[ . 1]" 2
359 1 75 SER HA 1 77 ILE H 4.610 . 4.610 4.249 3.940 4.630 0.020 6 0 "[ . 1]" 2
360 1 75 SER HB3 1 77 ILE H 6.000 . 6.000 4.547 2.635 5.927 . 0 0 "[ . 1]" 2
361 1 76 THR H 1 77 ILE HB 6.000 . 6.000 5.402 5.163 5.622 . 0 0 "[ . 1]" 2
362 1 76 THR HA 1 77 ILE H 3.475 . 3.475 3.346 2.789 3.543 0.068 2 0 "[ . 1]" 2
363 1 76 THR H 1 77 ILE H 4.364 . 4.364 3.231 2.641 4.116 . 0 0 "[ . 1]" 2
364 1 77 ILE H 1 77 ILE MD 5.246 . 5.246 3.166 2.561 4.532 . 0 0 "[ . 1]" 2
365 1 77 ILE HB 1 78 SER H 4.513 . 4.513 4.074 1.891 4.463 . 0 0 "[ . 1]" 2
366 1 77 ILE MD 1 78 SER H 5.084 . 5.084 3.941 3.649 5.117 0.033 2 0 "[ . 1]" 2
367 1 77 ILE HG13 1 78 SER H 5.749 . 5.749 5.456 4.117 5.810 0.061 10 0 "[ . 1]" 2
368 1 77 ILE HG12 1 78 SER H 5.417 . 5.417 5.096 4.600 5.171 . 0 0 "[ . 1]" 2
369 1 77 ILE H 1 78 SER H 4.291 . 4.291 3.587 2.670 4.239 . 0 0 "[ . 1]" 2
370 1 76 THR HG1 1 79 ASN H 6.000 . 6.000 5.698 4.609 6.021 0.021 8 0 "[ . 1]" 2
371 1 77 ILE HA 1 79 ASN H 5.607 . 5.607 3.800 3.272 4.615 . 0 0 "[ . 1]" 2
372 1 78 SER H 1 79 ASN HA 5.980 . 5.980 4.555 4.299 4.908 . 0 0 "[ . 1]" 2
373 1 78 SER H 1 79 ASN HB3 4.449 . 4.449 4.416 3.877 4.504 0.055 10 0 "[ . 1]" 2
374 1 78 SER HA 1 79 ASN H 3.466 . 3.466 3.420 3.100 3.524 0.058 5 0 "[ . 1]" 2
375 1 78 SER HB3 1 79 ASN H 4.454 . 4.454 3.521 2.560 4.340 . 0 0 "[ . 1]" 2
376 1 77 ILE HA 1 80 SER H 6.000 . 6.000 4.764 3.749 6.051 0.051 6 0 "[ . 1]" 2
377 1 78 SER HA 1 80 SER H 6.000 . 6.000 4.973 3.806 5.556 . 0 0 "[ . 1]" 2
378 1 79 ASN HA 1 80 SER H 3.512 . 3.512 3.206 2.352 3.558 0.046 3 0 "[ . 1]" 2
379 1 79 ASN HB3 1 80 SER H 4.667 . 4.667 3.269 2.263 4.660 . 0 0 "[ . 1]" 2
380 1 79 ASN H 1 80 SER H 4.358 . 4.358 2.564 1.821 3.643 . 0 0 "[ . 1]" 2
381 1 80 SER H 1 81 HIS HB3 6.000 . 6.000 4.957 4.732 5.467 . 0 0 "[ . 1]" 2
382 1 80 SER H 1 81 HIS HB2 6.000 . 6.000 5.988 5.775 6.074 0.074 3 0 "[ . 1]" 2
383 1 80 SER H 1 81 HIS HD2 6.000 . 6.000 4.512 3.572 6.012 0.012 7 0 "[ . 1]" 2
384 1 80 SER HA 1 81 HIS H 3.816 . 3.816 2.794 2.424 3.542 . 0 0 "[ . 1]" 2
385 1 80 SER HB3 1 81 HIS H 4.946 . 4.946 4.413 3.887 4.653 . 0 0 "[ . 1]" 2
386 1 80 SER H 1 81 HIS H 3.827 . 3.827 2.604 1.915 3.190 . 0 0 "[ . 1]" 2
387 1 81 HIS H 1 82 ALA MB 6.000 . 6.000 4.019 3.293 5.400 . 0 0 "[ . 1]" 2
388 1 81 HIS HB3 1 82 ALA H 4.981 . 4.981 3.978 3.311 4.656 . 0 0 "[ . 1]" 2
389 1 81 HIS HB2 1 82 ALA H 4.929 . 4.929 3.236 1.764 4.450 0.036 4 0 "[ . 1]" 2
390 1 81 HIS H 1 82 ALA H 3.998 . 3.998 2.972 2.147 4.012 0.014 4 0 "[ . 1]" 2
391 1 81 HIS HA 1 83 GLN H 6.000 . 6.000 4.060 3.902 4.416 . 0 0 "[ . 1]" 2
392 1 81 HIS HB2 1 83 GLN H 6.000 . 6.000 3.241 2.627 4.110 . 0 0 "[ . 1]" 2
393 1 81 HIS HE1 1 83 GLN H 6.000 . 6.000 5.145 3.723 6.091 0.091 7 0 "[ . 1]" 2
394 1 82 ALA H 1 83 GLN HA 6.000 . 6.000 5.198 4.853 5.415 . 0 0 "[ . 1]" 2
395 1 82 ALA HA 1 83 GLN H 3.368 . 3.368 2.773 2.501 2.972 . 0 0 "[ . 1]" 2
396 1 82 ALA H 1 83 GLN H 4.840 . 4.840 2.994 2.236 3.658 . 0 0 "[ . 1]" 2
397 1 83 GLN H 1 83 GLN HB2 4.272 . 4.272 2.659 2.393 3.586 . 0 0 "[ . 1]" 2
398 1 83 GLN HA 1 85 PHE H 4.274 . 4.274 4.133 3.774 4.298 0.024 1 0 "[ . 1]" 2
399 1 83 GLN HB2 1 85 PHE H 5.172 . 5.172 4.747 4.484 5.214 0.042 4 0 "[ . 1]" 2
400 1 84 PRO HB3 1 85 PHE H 4.910 . 4.910 4.309 4.130 4.546 . 0 0 "[ . 1]" 2
401 1 84 PRO HB2 1 85 PHE H 4.874 . 4.874 3.476 2.835 4.185 . 0 0 "[ . 1]" 2
402 1 82 ALA HA 1 86 ASP H 6.000 . 6.000 3.927 2.571 5.361 . 0 0 "[ . 1]" 2
403 1 83 GLN H 1 86 ASP HB3 6.000 . 6.000 5.915 5.557 6.029 0.029 7 0 "[ . 1]" 2
404 1 84 PRO HB3 1 86 ASP H 6.000 . 6.000 5.341 4.144 6.065 0.065 9 0 "[ . 1]" 2
405 1 84 PRO HB2 1 86 ASP H 6.000 . 6.000 4.154 2.482 5.586 . 0 0 "[ . 1]" 2
406 1 85 PHE H 1 86 ASP HB3 6.000 . 6.000 4.629 4.354 5.111 . 0 0 "[ . 1]" 2
407 1 85 PHE HB2 1 86 ASP H 4.276 . 4.276 2.968 2.611 3.297 . 0 0 "[ . 1]" 2
408 1 85 PHE H 1 86 ASP H 3.866 . 3.866 2.335 1.906 2.833 . 0 0 "[ . 1]" 2
409 1 85 PHE H 1 87 PHE H 4.811 . 4.811 4.605 4.086 4.863 0.052 7 0 "[ . 1]" 2
410 1 86 ASP H 1 87 PHE QE 6.000 . 6.000 5.313 4.877 5.790 . 0 0 "[ . 1]" 2
411 1 86 ASP HA 1 87 PHE H 3.403 . 3.403 2.853 2.619 3.049 . 0 0 "[ . 1]" 2
412 1 86 ASP HB3 1 87 PHE H 4.460 . 4.460 4.349 3.937 4.554 0.094 3 0 "[ . 1]" 2
413 1 86 ASP H 1 87 PHE H 3.186 . 3.186 2.787 2.579 2.953 . 0 0 "[ . 1]" 2
414 1 87 PHE H 1 87 PHE HB2 4.126 . 4.126 3.118 2.373 3.781 . 0 0 "[ . 1]" 2
415 1 87 PHE H 1 87 PHE HD1 4.715 . 4.715 2.603 1.801 4.328 . 0 0 "[ . 1]" 2
416 1 87 PHE H 1 87 PHE QE 6.000 . 6.000 4.226 3.727 4.999 . 0 0 "[ . 1]" 2
417 1 87 PHE H 1 88 PRO HA 6.000 . 6.000 4.911 4.491 5.441 . 0 0 "[ . 1]" 2
418 1 87 PHE H 1 88 PRO HD3 5.764 . 5.764 2.934 2.185 3.527 . 0 0 "[ . 1]" 2
419 1 88 PRO HA 1 89 ASP H 3.517 2.200 3.517 2.961 2.158 3.552 0.042 3 0 "[ . 1]" 2
420 1 88 PRO HB3 1 89 ASP H 4.832 . 4.832 3.722 3.190 4.218 . 0 0 "[ . 1]" 2
421 1 88 PRO HB2 1 89 ASP H 4.638 . 4.638 2.846 1.958 4.169 . 0 0 "[ . 1]" 2
422 1 88 PRO HD3 1 89 ASP H 5.411 . 5.411 4.709 3.827 5.449 0.038 8 0 "[ . 1]" 2
423 1 87 PHE H 1 90 ASP HB2 6.000 . 6.000 5.626 5.136 6.012 0.012 6 0 "[ . 1]" 2
424 1 89 ASP H 1 90 ASP H 3.967 . 3.967 3.005 2.599 3.564 . 0 0 "[ . 1]" 2
425 1 90 ASP H 1 90 ASP HB2 3.576 . 3.576 2.909 2.493 3.343 . 0 0 "[ . 1]" 2
426 1 90 ASP H 1 91 ASN QD 6.000 . 6.000 5.555 5.015 6.016 0.016 9 0 "[ . 1]" 2
427 1 90 ASP HB3 1 91 ASN H 4.259 . 4.259 3.951 1.926 4.276 0.017 2 0 "[ . 1]" 2
428 1 90 ASP H 1 91 ASN H 6.000 . 6.000 3.306 2.369 4.229 . 0 0 "[ . 1]" 2
429 1 91 ASN HD22 1 92 GLN HA 6.000 . 6.000 4.610 4.209 5.500 . 0 0 "[ . 1]" 2
430 1 91 ASN HD22 1 92 GLN HB3 5.756 . 5.756 5.248 4.366 5.788 0.032 7 0 "[ . 1]" 2
431 1 91 ASN HD22 1 92 GLN HB2 5.392 . 5.392 4.912 4.158 5.403 0.011 8 0 "[ . 1]" 2
432 1 91 ASN HD22 1 92 GLN HG3 3.454 . 3.454 2.701 2.201 3.487 0.033 2 0 "[ . 1]" 2
433 1 91 ASN QD 1 92 GLN H 6.000 . 6.000 2.849 1.975 3.343 . 0 0 "[ . 1]" 2
434 1 92 GLN H 1 92 GLN HA 3.022 . 3.022 2.811 2.733 2.844 . 0 0 "[ . 1]" 2
435 1 92 GLN H 1 92 GLN HE21 5.877 . 5.877 4.365 3.809 5.295 . 0 0 "[ . 1]" 2
436 1 92 GLN H 1 92 GLN HG3 4.124 . 4.124 2.278 2.095 3.186 . 0 0 "[ . 1]" 2
437 1 91 ASN H 1 93 ASN HD22 5.736 . 5.736 4.456 3.479 5.502 . 0 0 "[ . 1]" 2
438 1 91 ASN HA 1 93 ASN H 6.000 . 6.000 4.928 4.489 5.521 . 0 0 "[ . 1]" 2
439 1 91 ASN H 1 93 ASN H 3.838 . 3.838 3.376 2.936 3.839 0.001 1 0 "[ . 1]" 2
440 1 92 GLN HB2 1 93 ASN HD22 6.000 . 6.000 4.887 4.085 5.991 . 0 0 "[ . 1]" 2
441 1 92 GLN H 1 93 ASN HD22 5.315 . 5.315 5.077 4.848 5.337 0.022 4 0 "[ . 1]" 2
442 1 92 GLN HA 1 93 ASN H 3.744 . 3.744 3.547 3.492 3.567 . 0 0 "[ . 1]" 2
443 1 92 GLN HB3 1 93 ASN H 4.888 . 4.888 3.454 2.995 4.054 . 0 0 "[ . 1]" 2
444 1 92 GLN HB2 1 93 ASN H 4.811 . 4.811 2.457 1.974 3.776 . 0 0 "[ . 1]" 2
445 1 92 GLN HG3 1 93 ASN H 5.375 . 5.375 3.967 2.284 4.230 . 0 0 "[ . 1]" 2
446 1 93 ASN HA 1 93 ASN HD22 5.220 . 5.220 4.989 4.620 5.236 0.016 7 0 "[ . 1]" 2
447 1 93 ASN H 1 93 ASN HB3 4.184 . 4.184 2.987 2.521 3.593 . 0 0 "[ . 1]" 2
448 1 93 ASN H 1 93 ASN HB2 3.840 . 3.840 3.169 2.501 3.602 . 0 0 "[ . 1]" 2
449 1 90 ASP HA 1 94 ALA H 4.730 . 4.730 4.439 3.899 4.751 0.021 9 0 "[ . 1]" 2
450 1 92 GLN HB2 1 94 ALA H 6.000 . 6.000 4.629 4.289 5.367 . 0 0 "[ . 1]" 2
451 1 92 GLN H 1 94 ALA H 6.000 . 6.000 3.782 3.580 4.167 . 0 0 "[ . 1]" 2
452 1 93 ASN H 1 94 ALA MB 6.000 . 6.000 4.235 4.143 4.378 . 0 0 "[ . 1]" 2
453 1 93 ASN HA 1 94 ALA H 3.580 . 3.580 3.445 3.389 3.490 . 0 0 "[ . 1]" 2
454 1 93 ASN HB2 1 94 ALA H 4.388 . 4.388 3.614 2.866 4.150 . 0 0 "[ . 1]" 2
455 1 93 ASN QD 1 94 ALA H 6.000 . 6.000 4.144 3.819 4.537 . 0 0 "[ . 1]" 2
456 1 93 ASN HD22 1 94 ALA H 6.000 . 6.000 4.935 4.163 5.896 . 0 0 "[ . 1]" 2
457 1 93 ASN H 1 94 ALA H 3.735 . 3.735 2.591 2.502 2.761 . 0 0 "[ . 1]" 2
458 1 92 GLN HA 1 95 LYS H 5.439 . 5.439 3.470 3.266 3.850 . 0 0 "[ . 1]" 2
459 1 93 ASN H 1 95 LYS HD3 6.000 . 6.000 5.883 5.197 6.028 0.028 1 0 "[ . 1]" 2
460 1 93 ASN HA 1 95 LYS H 5.469 . 5.469 4.304 4.110 4.605 . 0 0 "[ . 1]" 2
461 1 93 ASN HB3 1 95 LYS H 6.000 . 6.000 5.867 5.665 6.008 0.008 4 0 "[ . 1]" 2
462 1 93 ASN H 1 95 LYS H 5.788 . 5.788 4.213 4.051 4.549 . 0 0 "[ . 1]" 2
463 1 94 ALA H 1 95 LYS HD3 6.000 . 6.000 5.570 4.807 6.012 0.012 6 0 "[ . 1]" 2
464 1 94 ALA MB 1 95 LYS H 4.291 . 4.291 2.787 2.488 3.020 . 0 0 "[ . 1]" 2
465 1 93 ASN HA 1 96 LYS H 6.000 . 6.000 3.670 3.189 3.870 . 0 0 "[ . 1]" 2
466 1 93 ASN HB2 1 96 LYS H 6.000 . 6.000 5.779 5.176 6.009 0.009 2 0 "[ . 1]" 2
467 1 93 ASN HA 1 97 VAL H . . 5.016 4.826 4.242 5.023 0.007 9 0 "[ . 1]" 2
468 1 95 LYS HA 1 97 VAL H 3.587 2.400 3.587 3.575 3.422 3.609 0.022 2 0 "[ . 1]" 2
469 1 95 LYS HG3 1 97 VAL H 6.000 . 6.000 4.591 4.338 5.439 . 0 0 "[ . 1]" 2
470 1 96 LYS HA 1 97 VAL H 5.076 . 5.076 3.318 3.052 3.419 . 0 0 "[ . 1]" 2
471 1 97 VAL H 1 97 VAL HB 3.689 . 3.689 2.812 2.500 3.757 0.068 10 0 "[ . 1]" 2
472 1 97 VAL H 1 97 VAL MG1 4.216 . 4.216 3.398 1.991 3.927 . 0 0 "[ . 1]" 2
473 1 95 LYS HG3 1 98 ALA H 5.744 . 5.744 5.627 5.357 5.777 0.033 4 0 "[ . 1]" 2
474 1 96 LYS HA 1 98 ALA H 5.940 . 5.940 4.566 3.702 5.070 . 0 0 "[ . 1]" 2
475 1 97 VAL HB 1 98 ALA H 4.190 . 4.190 3.175 2.350 4.018 . 0 0 "[ . 1]" 2
476 1 97 VAL MG2 1 98 ALA H 4.756 . 4.756 3.678 2.296 4.107 . 0 0 "[ . 1]" 2
477 1 97 VAL H 1 98 ALA H 4.209 . 4.209 2.046 1.809 2.691 . 0 0 "[ . 1]" 2
478 1 95 LYS HA 1 99 ALA H 5.124 . 5.124 3.868 2.366 4.895 . 0 0 "[ . 1]" 2
479 1 97 VAL HA 1 99 ALA H 5.953 . 5.953 4.216 3.504 5.181 . 0 0 "[ . 1]" 2
480 1 97 VAL HB 1 99 ALA H 6.000 . 6.000 5.216 4.847 6.006 0.006 3 0 "[ . 1]" 2
481 1 97 VAL MG1 1 99 ALA H 6.000 . 6.000 4.729 3.817 5.487 . 0 0 "[ . 1]" 2
482 1 97 VAL MG2 1 99 ALA H 6.000 . 6.000 5.147 4.487 5.480 . 0 0 "[ . 1]" 2
483 1 97 VAL H 1 99 ALA H 4.667 . 4.667 3.558 2.838 4.174 . 0 0 "[ . 1]" 2
484 1 98 ALA H 1 99 ALA H 4.449 . 4.449 2.524 2.088 2.822 . 0 0 "[ . 1]" 2
485 1 97 VAL MG1 1 100 GLY H 6.000 . 6.000 5.522 4.414 6.010 0.010 3 0 "[ . 1]" 2
486 1 98 ALA HA 1 100 GLY H 4.013 2.800 4.013 3.859 3.499 4.018 0.005 6 0 "[ . 1]" 2
487 1 98 ALA H 1 100 GLY H 5.146 . 5.146 5.037 4.565 5.158 0.012 4 0 "[ . 1]" 2
488 1 99 ALA MB 1 100 GLY H 4.658 . 4.658 3.720 3.715 3.723 . 0 0 "[ . 1]" 2
489 1 99 ALA H 1 100 GLY H 3.713 . 3.713 3.467 3.267 3.612 . 0 0 "[ . 1]" 2
490 1 97 VAL HA 1 101 HIS H 5.932 . 5.932 4.321 3.272 4.972 . 0 0 "[ . 1]" 2
491 1 97 VAL MG1 1 101 HIS H 6.000 . 6.000 4.351 3.137 5.292 . 0 0 "[ . 1]" 2
492 1 98 ALA H 1 101 HIS HB3 6.000 . 6.000 5.152 4.484 6.011 0.011 3 0 "[ . 1]" 2
493 1 98 ALA H 1 101 HIS HB2 6.000 . 6.000 5.396 4.276 6.047 0.047 2 0 "[ . 1]" 2
494 1 99 ALA MB 1 101 HIS H 6.000 . 6.000 4.885 4.676 5.027 . 0 0 "[ . 1]" 2
495 1 99 ALA H 1 101 HIS H 4.200 3.800 4.200 4.159 3.785 4.224 0.024 5 0 "[ . 1]" 2
496 1 100 GLY H 1 101 HIS HA 6.000 . 6.000 4.533 4.456 4.619 . 0 0 "[ . 1]" 2
497 1 100 GLY H 1 101 HIS HB2 6.000 . 6.000 4.663 4.406 5.356 . 0 0 "[ . 1]" 2
498 1 100 GLY HA3 1 101 HIS H 3.573 2.200 3.573 2.953 2.773 3.039 . 0 0 "[ . 1]" 2
499 1 100 GLY H 1 101 HIS H 4.058 . 4.058 2.021 1.876 2.452 . 0 0 "[ . 1]" 2
500 1 101 HIS H 1 101 HIS HB3 4.230 . 4.230 2.595 2.391 3.635 . 0 0 "[ . 1]" 2
501 1 101 HIS H 1 101 HIS HB2 4.015 . 4.015 2.709 2.430 3.576 . 0 0 "[ . 1]" 2
502 1 101 HIS H 1 101 HIS HD1 5.455 . 5.455 4.526 1.939 4.927 . 0 0 "[ . 1]" 2
503 1 99 ALA H 1 102 GLU HG3 6.000 . 6.000 5.490 4.774 6.004 0.004 9 0 "[ . 1]" 2
504 1 99 ALA MB 1 102 GLU H 6.000 . 6.000 5.897 5.738 6.033 0.033 3 0 "[ . 1]" 2
505 1 100 GLY HA3 1 102 GLU H 5.616 . 5.616 4.237 4.192 4.283 . 0 0 "[ . 1]" 2
506 1 100 GLY H 1 102 GLU H 6.000 . 6.000 2.733 2.512 2.878 . 0 0 "[ . 1]" 2
507 1 101 HIS H 1 102 GLU HG3 6.000 . 6.000 3.828 3.500 5.017 . 0 0 "[ . 1]" 2
508 1 101 HIS HB3 1 102 GLU H 4.676 . 4.676 3.675 3.178 4.434 . 0 0 "[ . 1]" 2
509 1 101 HIS HB2 1 102 GLU H 4.711 . 4.711 4.321 4.126 4.514 . 0 0 "[ . 1]" 2
510 1 101 HIS HD1 1 102 GLU H 6.000 . 6.000 4.902 2.625 5.527 . 0 0 "[ . 1]" 2
511 1 101 HIS H 1 102 GLU H 3.918 . 3.918 2.645 2.527 2.908 . 0 0 "[ . 1]" 2
512 1 100 GLY HA3 1 103 LEU H 4.984 . 4.984 4.923 4.579 5.016 0.032 3 0 "[ . 1]" 2
513 1 101 HIS HA 1 103 LEU H 6.000 . 6.000 4.017 3.543 4.858 . 0 0 "[ . 1]" 2
514 1 101 HIS HB2 1 103 LEU H 5.977 . 5.977 5.870 5.268 5.990 0.013 8 0 "[ . 1]" 2
515 1 102 GLU H 1 103 LEU HB3 6.000 . 6.000 5.671 5.239 6.022 0.022 8 0 "[ . 1]" 2
516 1 102 GLU H 1 103 LEU MD2 6.000 . 6.000 4.900 3.217 6.030 0.030 1 0 "[ . 1]" 2
517 1 102 GLU HG3 1 103 LEU H 4.913 . 4.913 4.333 4.008 4.754 . 0 0 "[ . 1]" 2
518 1 102 GLU H 1 103 LEU H 4.269 . 4.269 2.336 1.998 2.724 . 0 0 "[ . 1]" 2
519 1 102 GLU HB2 1 104 GLN H 3.766 . 3.766 3.741 3.620 3.831 0.065 8 0 "[ . 1]" 2
520 1 102 GLU H 1 104 GLN H 6.000 . 6.000 4.728 3.827 5.320 . 0 0 "[ . 1]" 2
521 1 103 LEU HB3 1 104 GLN H 3.896 2.200 3.896 3.013 2.194 4.056 0.160 8 0 "[ . 1]" 2
522 1 104 GLN H 1 104 GLN HB3 4.273 . 4.273 3.218 2.782 3.690 . 0 0 "[ . 1]" 2
523 1 104 GLN H 1 104 GLN QE 6.000 . 6.000 5.005 2.454 6.139 0.139 8 0 "[ . 1]" 2
524 1 104 GLN H 1 104 GLN HG3 4.226 . 4.226 4.212 3.306 4.822 0.596 8 3 "[ * +-1]" 2
525 1 104 GLN H 1 105 PRO HD3 5.692 . 5.692 4.077 2.924 5.002 . 0 0 "[ . 1]" 2
526 1 104 GLN HA 1 106 LEU H 5.552 . 5.552 4.109 3.406 4.714 . 0 0 "[ . 1]" 2
527 1 104 GLN HB2 1 106 LEU H 5.232 . 5.232 4.026 2.776 5.222 . 0 0 "[ . 1]" 2
528 1 104 GLN HG3 1 106 LEU H 5.594 . 5.594 3.614 2.214 5.607 0.013 4 0 "[ . 1]" 2
529 1 106 LEU H 1 106 LEU HB3 4.116 . 4.116 3.431 2.534 4.059 . 0 0 "[ . 1]" 2
530 1 104 GLN HB2 1 107 ALA H 6.000 . 6.000 5.121 3.074 6.016 0.016 7 0 "[ . 1]" 2
531 1 104 GLN HG3 1 107 ALA H 6.000 . 6.000 4.356 1.945 6.002 0.002 1 0 "[ . 1]" 2
532 1 106 LEU H 1 107 ALA MB 6.000 . 6.000 4.274 3.641 5.112 . 0 0 "[ . 1]" 2
533 1 106 LEU HB3 1 107 ALA H 4.447 . 4.447 3.457 1.815 4.438 . 0 0 "[ . 1]" 2
534 1 107 ALA H 1 107 ALA HA 2.838 . 2.838 2.581 2.271 2.922 0.084 3 0 "[ . 1]" 2
535 1 106 LEU HA 1 108 ILE H 4.808 . 4.808 4.021 3.489 4.726 . 0 0 "[ . 1]" 2
536 1 106 LEU HB3 1 108 ILE H 6.000 . 6.000 4.121 2.381 5.803 . 0 0 "[ . 1]" 2
537 1 107 ALA H 1 108 ILE HB 6.000 . 6.000 5.379 4.794 6.142 0.142 9 0 "[ . 1]" 2
538 1 107 ALA H 1 108 ILE MD 5.455 . 5.455 4.587 3.467 5.513 0.058 3 0 "[ . 1]" 2
539 1 107 ALA H 1 108 ILE HG13 5.838 . 5.838 5.228 4.180 5.856 0.018 9 0 "[ . 1]" 2
540 1 107 ALA HA 1 108 ILE H 3.634 2.400 3.634 3.128 2.326 3.546 0.074 3 0 "[ . 1]" 2
541 1 107 ALA MB 1 108 ILE H 4.796 . 4.796 3.230 2.171 3.711 . 0 0 "[ . 1]" 2
542 1 107 ALA H 1 108 ILE H 4.442 . 4.442 2.764 2.346 3.655 . 0 0 "[ . 1]" 2
543 1 108 ILE H 1 108 ILE HB 3.742 . 3.742 3.371 2.559 3.747 0.005 3 0 "[ . 1]" 2
544 1 108 ILE H 1 108 ILE MD 5.083 . 5.083 3.186 2.254 4.413 . 0 0 "[ . 1]" 2
545 1 108 ILE H 1 108 ILE HG13 4.370 . 4.370 3.384 2.519 4.403 0.033 7 0 "[ . 1]" 2
546 1 107 ALA HA 1 109 VAL H 5.580 . 5.580 4.685 4.051 5.624 0.044 9 0 "[ . 1]" 2
547 1 107 ALA MB 1 109 VAL H 6.000 . 6.000 3.764 2.758 4.669 . 0 0 "[ . 1]" 2
548 1 108 ILE HB 1 109 VAL H 4.970 . 4.970 3.641 2.288 4.252 . 0 0 "[ . 1]" 2
549 1 108 ILE HG13 1 109 VAL H 5.730 . 5.730 4.915 4.136 5.752 0.022 7 0 "[ . 1]" 2
550 1 108 ILE H 1 109 VAL H 2.456 . 2.456 2.376 1.989 2.525 0.069 5 0 "[ . 1]" 2
551 1 109 VAL H 1 109 VAL MG2 4.249 . 4.249 2.994 2.275 3.970 . 0 0 "[ . 1]" 2
552 1 106 LEU HA 1 110 ASP H 5.842 . 5.842 4.955 3.317 5.847 0.005 3 0 "[ . 1]" 2
553 1 106 LEU HB3 1 110 ASP H 6.000 . 6.000 5.735 4.244 6.013 0.013 5 0 "[ . 1]" 2
554 1 109 VAL HA 1 110 ASP H 3.030 . 3.030 2.636 2.165 3.442 0.412 8 0 "[ . 1]" 2
555 1 109 VAL HB 1 110 ASP H 4.807 . 4.807 4.354 3.727 4.639 . 0 0 "[ . 1]" 2
556 1 109 VAL MG2 1 110 ASP H 5.536 2.500 5.536 3.936 2.436 4.342 0.064 8 0 "[ . 1]" 2
557 1 109 VAL H 1 110 ASP H 4.318 . 4.318 2.881 1.791 3.762 0.009 8 0 "[ . 1]" 2
558 1 110 ASP H 1 110 ASP HB3 3.916 . 3.916 3.281 2.597 4.021 0.105 8 0 "[ . 1]" 2
559 1 110 ASP H 1 110 ASP HB2 4.067 . 4.067 3.049 2.456 3.624 . 0 0 "[ . 1]" 2
560 1 110 ASP HA 1 111 GLN H 3.614 2.300 3.614 3.432 2.601 3.563 . 0 0 "[ . 1]" 2
561 1 110 ASP HB3 1 111 GLN H 4.689 . 4.689 3.852 3.503 4.640 . 0 0 "[ . 1]" 2
562 1 110 ASP HB2 1 111 GLN H 4.515 . 4.515 3.128 2.409 4.386 . 0 0 "[ . 1]" 2
563 1 109 VAL HA 1 112 ARG H 3.599 2.300 3.599 3.572 3.238 3.679 0.080 8 0 "[ . 1]" 2
564 1 111 GLN HB3 1 112 ARG H 5.213 . 5.213 3.739 3.238 4.348 . 0 0 "[ . 1]" 2
565 1 112 ARG H 1 112 ARG HB2 3.769 . 3.769 3.356 2.302 3.714 . 0 0 "[ . 1]" 2
566 1 112 ARG H 1 112 ARG HD3 5.987 . 5.987 2.837 1.918 3.684 . 0 0 "[ . 1]" 2
567 1 111 GLN HB2 1 114 SER H 5.542 2.800 5.542 3.978 3.257 5.546 0.004 3 0 "[ . 1]" 2
568 1 112 ARG HA 1 114 SER H 5.909 . 5.909 4.634 3.742 5.115 . 0 0 "[ . 1]" 2
569 1 112 ARG HB2 1 114 SER H 5.954 . 5.954 5.538 5.273 5.976 0.022 5 0 "[ . 1]" 2
570 1 112 ARG H 1 114 SER H 4.748 . 4.748 4.335 3.736 4.778 0.030 3 0 "[ . 1]" 2
571 1 113 PRO HB3 1 114 SER H 4.619 . 4.619 3.786 3.462 4.560 . 0 0 "[ . 1]" 2
572 1 113 PRO HB2 1 114 SER H 5.192 . 5.192 2.636 1.926 4.335 . 0 0 "[ . 1]" 2
573 1 113 PRO HD3 1 114 SER H 6.000 . 6.000 4.387 3.413 5.194 . 0 0 "[ . 1]" 2
574 1 114 SER H 1 114 SER HB2 4.126 . 4.126 3.485 2.683 4.023 . 0 0 "[ . 1]" 2
575 1 111 GLN HB2 1 115 SER H 6.000 . 6.000 6.029 6.005 6.077 0.077 5 0 "[ . 1]" 2
576 1 113 PRO HB3 1 115 SER H 6.000 . 6.000 3.370 3.039 4.578 . 0 0 "[ . 1]" 2
577 1 113 PRO HB2 1 115 SER H 6.000 . 6.000 2.699 2.147 3.321 . 0 0 "[ . 1]" 2
578 1 114 SER H 1 115 SER H 4.257 . 4.257 2.867 2.678 3.295 . 0 0 "[ . 1]" 2
579 1 115 SER H 1 115 SER HB3 3.755 . 3.755 3.126 2.507 4.122 0.367 6 0 "[ . 1]" 2
580 1 113 PRO HB2 1 116 ARG H 4.737 . 4.737 3.112 2.274 3.907 . 0 0 "[ . 1]" 2
581 1 114 SER H 1 116 ARG HD3 6.000 . 6.000 5.308 3.753 6.050 0.050 2 0 "[ . 1]" 2
582 1 114 SER H 1 116 ARG H 5.657 . 5.657 3.763 3.043 4.553 . 0 0 "[ . 1]" 2
583 1 115 SER H 1 116 ARG HB3 5.915 . 5.915 5.606 5.243 6.003 0.088 5 0 "[ . 1]" 2
584 1 113 PRO HB2 1 117 ALA H 6.000 . 6.000 5.184 3.590 6.006 0.006 1 0 "[ . 1]" 2
585 1 114 SER H 1 117 ALA MB 6.000 . 6.000 5.593 4.635 6.025 0.025 4 0 "[ . 1]" 2
586 1 116 ARG HB2 1 117 ALA H 4.182 . 4.182 3.177 2.013 4.292 0.110 8 0 "[ . 1]" 2
587 1 116 ARG HB3 1 118 SER H 6.000 . 6.000 4.116 3.049 4.842 . 0 0 "[ . 1]" 2
588 1 117 ALA MB 1 118 SER H 4.465 . 4.465 3.424 3.186 3.667 . 0 0 "[ . 1]" 2
589 1 116 ARG HB2 1 119 SER H 6.000 . 6.000 5.876 5.184 6.068 0.068 9 0 "[ . 1]" 2
590 1 117 ALA HA 1 119 SER H 3.656 . 3.656 4.603 3.662 6.318 2.662 4 7 "[* *+* * -*]" 2
591 1 117 ALA MB 1 119 SER H 6.000 . 6.000 4.462 3.517 5.953 . 0 0 "[ . 1]" 2
592 1 118 SER HA 1 120 ARG H 2.841 . 2.841 2.915 2.891 3.000 0.159 4 0 "[ . 1]" 2
593 1 119 SER H 1 120 ARG HG3 6.000 . 6.000 4.196 3.652 5.439 . 0 0 "[ . 1]" 2
594 1 119 SER HB3 1 120 ARG H 3.819 . 3.819 3.488 3.342 3.732 . 0 0 "[ . 1]" 2
595 1 120 ARG H 1 120 ARG HB3 3.914 . 3.914 3.577 2.576 4.011 0.097 10 0 "[ . 1]" 2
596 1 120 ARG H 1 120 ARG HB2 3.394 . 3.394 2.703 2.468 3.537 0.143 5 0 "[ . 1]" 2
597 1 120 ARG H 1 120 ARG HD3 4.959 . 4.959 4.372 3.933 4.965 0.006 10 0 "[ . 1]" 2
598 1 119 SER HA 1 121 ALA H 4.479 . 4.479 4.210 3.762 4.511 0.032 10 0 "[ . 1]" 2
599 1 119 SER HB3 1 121 ALA H 5.572 2.400 5.572 5.384 4.505 5.582 0.010 6 0 "[ . 1]" 2
600 1 120 ARG HB3 1 121 ALA H 4.036 . 4.036 3.745 2.835 4.052 0.016 1 0 "[ . 1]" 2
601 1 120 ARG HB2 1 121 ALA H 4.036 . 4.036 2.828 1.967 3.746 . 0 0 "[ . 1]" 2
602 1 120 ARG HD3 1 121 ALA H 5.512 . 5.512 5.198 4.356 5.533 0.021 3 0 "[ . 1]" 2
603 1 120 ARG HG3 1 121 ALA H 4.404 . 4.404 4.094 2.276 4.408 0.004 1 0 "[ . 1]" 2
604 1 120 ARG H 1 121 ALA H 4.619 . 4.619 2.461 1.988 3.934 . 0 0 "[ . 1]" 2
605 1 121 ALA H 1 121 ALA HA 2.676 . 2.676 2.506 2.271 2.737 0.061 4 0 "[ . 1]" 2
606 1 121 ALA H 1 121 ALA MB 3.559 . 3.559 2.641 2.139 2.988 . 0 0 "[ . 1]" 2
607 1 120 ARG HA 1 122 SER H 5.577 4.200 5.577 4.792 4.171 5.616 0.039 1 0 "[ . 1]" 2
608 1 120 ARG HB3 1 122 SER H 6.000 . 6.000 4.920 3.445 6.006 0.006 4 0 "[ . 1]" 2
609 1 121 ALA MB 1 122 SER H 4.761 . 4.761 2.527 2.097 3.701 . 0 0 "[ . 1]" 2
610 1 121 ALA H 1 122 SER H 3.500 3.100 3.500 3.220 3.062 3.565 0.065 6 0 "[ . 1]" 2
611 1 122 SER H 1 122 SER HB3 4.071 . 4.071 3.310 2.504 4.035 . 0 0 "[ . 1]" 2
612 1 121 ALA HA 1 123 SER H 5.038 . 5.038 4.745 4.124 5.066 0.028 6 0 "[ . 1]" 2
613 1 121 ALA MB 1 123 SER H 6.000 . 6.000 4.122 2.601 5.072 . 0 0 "[ . 1]" 2
614 1 123 SER H 1 123 SER HA 3.135 . 3.135 2.400 2.273 2.949 . 0 0 "[ . 1]" 2
615 1 123 SER H 1 123 SER HB3 3.634 . 3.634 3.360 2.609 3.603 . 0 0 "[ . 1]" 2
616 1 122 SER HB3 1 124 ARG H 4.203 . 4.203 3.786 2.853 4.209 0.006 5 0 "[ . 1]" 2
617 1 123 SER H 1 124 ARG HG3 6.000 . 6.000 4.353 3.337 5.250 . 0 0 "[ . 1]" 2
618 1 123 SER HA 1 124 ARG H 3.217 . 3.217 2.666 2.299 2.968 . 0 0 "[ . 1]" 2
619 1 123 SER H 1 124 ARG H 4.856 . 4.856 2.979 2.617 3.907 . 0 0 "[ . 1]" 2
620 1 124 ARG H 1 124 ARG HB3 4.322 . 4.322 3.755 3.593 4.054 . 0 0 "[ . 1]" 2
621 1 124 ARG H 1 124 ARG HG3 3.673 . 3.673 2.868 2.186 3.483 . 0 0 "[ . 1]" 2
622 1 124 ARG H 1 125 PRO HD3 6.000 . 6.000 3.970 3.033 4.734 . 0 0 "[ . 1]" 2
623 1 124 ARG HB3 1 126 ARG H 6.000 . 6.000 5.261 4.374 6.062 0.062 1 0 "[ . 1]" 2
624 1 126 ARG H 1 126 ARG HD3 5.992 . 5.992 5.420 4.077 5.942 . 0 0 "[ . 1]" 2
625 1 126 ARG H 1 128 ASP H 5.664 . 5.664 3.878 2.764 4.607 . 0 0 "[ . 1]" 2
626 1 127 PRO HA 1 128 ASP H 3.563 2.100 3.563 2.927 2.510 3.548 . 0 0 "[ . 1]" 2
627 1 127 PRO HB2 1 128 ASP H 4.487 . 4.487 3.729 1.961 4.337 . 0 0 "[ . 1]" 2
628 1 128 ASP H 1 128 ASP HB3 4.176 . 4.176 3.466 2.721 4.008 . 0 0 "[ . 1]" 2
629 1 128 ASP H 1 128 ASP HB2 4.184 . 4.184 3.190 2.560 3.637 . 0 0 "[ . 1]" 2
630 1 126 ARG H 1 129 ASP HB2 6.000 . 6.000 5.774 5.290 6.070 0.070 2 0 "[ . 1]" 2
631 1 127 PRO HA 1 129 ASP H 4.993 . 4.993 4.647 4.230 5.064 0.071 1 0 "[ . 1]" 2
632 1 127 PRO HB2 1 129 ASP H 5.791 . 5.791 4.334 3.367 4.815 . 0 0 "[ . 1]" 2
633 1 128 ASP H 1 129 ASP HB3 6.000 . 6.000 5.615 5.071 5.860 . 0 0 "[ . 1]" 2
634 1 128 ASP H 1 129 ASP H 3.629 . 3.629 2.674 1.966 3.613 . 0 0 "[ . 1]" 2
635 1 129 ASP H 1 129 ASP HA 3.053 . 3.053 2.362 2.262 2.757 . 0 0 "[ . 1]" 2
636 1 129 ASP H 1 129 ASP HB2 3.543 . 3.543 3.344 3.130 4.105 0.562 2 1 "[ + . 1]" 2
637 1 126 ARG H 1 130 LEU HG 4.762 . 4.762 4.557 3.512 4.790 0.028 8 0 "[ . 1]" 2
638 1 128 ASP HB3 1 130 LEU H 4.513 . 4.513 4.347 3.921 4.559 0.046 10 0 "[ . 1]" 2
639 1 130 LEU H 1 130 LEU HG 3.538 . 3.538 3.131 2.860 3.754 0.216 10 0 "[ . 1]" 2
640 1 128 ASP H 1 131 GLU QG 4.704 . 4.704 5.578 4.545 7.268 2.564 10 6 "[ ***. * -+]" 2
641 1 129 ASP HA 1 131 GLU H 4.220 . 4.220 4.244 4.144 4.362 0.142 7 0 "[ . 1]" 2
642 1 129 ASP HB2 1 131 GLU H 6.000 . 6.000 4.811 4.439 5.221 . 0 0 "[ . 1]" 2
643 1 130 LEU MD1 1 131 GLU H 5.199 . 5.199 4.582 4.057 5.278 0.079 2 0 "[ . 1]" 2
644 1 130 LEU H 1 131 GLU H 4.273 . 4.273 3.006 2.655 3.751 . 0 0 "[ . 1]" 2
645 1 131 GLU H 1 131 GLU HA 2.968 . 2.968 2.826 2.274 2.944 . 0 0 "[ . 1]" 2
646 1 131 GLU H 1 131 GLU HB3 4.329 . 4.329 2.723 2.498 2.951 . 0 0 "[ . 1]" 2
647 1 131 GLU H 1 131 GLU HB2 3.807 . 3.807 3.675 3.599 3.904 0.097 7 0 "[ . 1]" 2
648 1 130 LEU HA 1 132 ILE H 3.278 . 3.278 3.275 3.098 3.450 0.172 7 0 "[ . 1]" 2
649 1 130 LEU HB3 1 132 ILE H 6.000 . 6.000 4.470 2.579 4.942 . 0 0 "[ . 1]" 2
650 1 130 LEU HG 1 132 ILE H 6.000 . 6.000 5.827 5.273 6.033 0.033 4 0 "[ . 1]" 2
651 1 130 LEU H 1 132 ILE H 6.000 . 6.000 4.375 3.880 5.372 . 0 0 "[ . 1]" 2
652 1 131 GLU H 1 132 ILE HG13 6.000 . 6.000 4.727 3.598 5.723 . 0 0 "[ . 1]" 2
653 1 131 GLU HB3 1 132 ILE H 5.431 . 5.431 4.395 4.077 4.625 . 0 0 "[ . 1]" 2
654 1 131 GLU HB2 1 132 ILE H 6.000 . 6.000 4.349 4.000 4.489 . 0 0 "[ . 1]" 2
655 1 131 GLU QG 1 132 ILE H 6.000 . 6.000 3.220 2.439 3.692 . 0 0 "[ . 1]" 2
656 1 131 GLU H 1 132 ILE H 4.807 . 4.807 2.683 2.445 3.009 . 0 0 "[ . 1]" 2
657 1 132 ILE H 1 132 ILE HG13 5.500 . 5.500 2.941 2.105 4.039 . 0 0 "[ . 1]" 2
658 1 132 ILE H 1 132 ILE HG12 5.103 . 5.103 3.405 2.050 4.094 . 0 0 "[ . 1]" 2
659 1 26 ALA H 1 27 PRO HD3 6.000 . 6.000 2.639 2.220 3.600 . 0 0 "[ . 1]" 2
660 1 7 SER H 1 8 LYS HG3 6.000 . 6.000 5.829 5.327 6.020 0.020 9 0 "[ . 1]" 2
661 1 4 GLY H 1 6 PRO HB2 6.000 . 6.000 5.851 5.420 6.008 0.008 1 0 "[ . 1]" 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 24
_Distance_constraint_stats_list.Viol_count 141
_Distance_constraint_stats_list.Viol_total 1023.980
_Distance_constraint_stats_list.Viol_max 3.883
_Distance_constraint_stats_list.Viol_rms 0.8954
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4267
_Distance_constraint_stats_list.Viol_average_violations_only 0.7262
_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 65 ALA 30.445 3.883 9 8 "[*- ** **+*]"
1 66 GLU 0.050 0.016 7 0 "[ . 1]"
1 67 GLN 0.581 0.061 7 0 "[ . 1]"
1 68 ASN 0.577 0.057 4 0 "[ . 1]"
1 69 ARG 30.448 3.883 9 8 "[*- ** **+*]"
1 70 MET 0.100 0.030 4 0 "[ . 1]"
1 71 GLY 0.665 0.061 7 0 "[ . 1]"
1 72 GLN 0.660 0.057 4 0 "[ . 1]"
1 73 ALA 0.003 0.003 6 0 "[ . 1]"
1 74 GLY 0.050 0.030 4 0 "[ . 1]"
1 75 SER 0.083 0.021 4 0 "[ . 1]"
1 76 THR 0.083 0.034 6 0 "[ . 1]"
1 90 ASP 50.030 3.357 8 10 [*******+-*]
1 91 ASN 0.108 0.033 4 0 "[ . 1]"
1 92 GLN 0.209 0.050 2 0 "[ . 1]"
1 93 ASN 20.179 1.674 3 9 "[**+-* ****]"
1 94 ALA 50.030 3.357 8 10 [*******+-*]
1 95 LYS 0.108 0.033 4 0 "[ . 1]"
1 96 LYS 0.209 0.050 2 0 "[ . 1]"
1 97 VAL 20.179 1.674 3 9 "[**+-* ****]"
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 65 ALA O 1 69 ARG H 1.950 . 2.100 3.629 2.432 5.983 3.883 9 7 "[* -* **+*]" 3
2 1 65 ALA O 1 69 ARG N 2.850 2.700 3.000 4.515 3.375 6.759 3.759 9 8 "[*- ** **+*]" 3
3 1 66 GLU O 1 70 MET H 1.950 . 2.100 2.018 1.784 2.105 0.016 7 0 "[ . 1]" 3
4 1 66 GLU O 1 70 MET N 2.850 2.700 3.000 2.941 2.721 3.015 0.015 10 0 "[ . 1]" 3
5 1 67 GLN O 1 71 GLY H 1.950 . 2.100 1.790 1.768 1.800 0.032 4 0 "[ . 1]" 3
6 1 67 GLN O 1 71 GLY N 2.850 2.700 3.000 2.652 2.639 2.667 0.061 7 0 "[ . 1]" 3
7 1 68 ASN O 1 72 GLN H 1.950 . 2.100 2.106 2.075 2.121 0.021 6 0 "[ . 1]" 3
8 1 68 ASN O 1 72 GLN N 2.850 2.700 3.000 3.048 3.043 3.057 0.057 4 0 "[ . 1]" 3
9 1 69 ARG O 1 73 ALA H 1.950 . 2.100 1.987 1.869 2.060 . 0 0 "[ . 1]" 3
10 1 69 ARG O 1 73 ALA N 2.850 2.700 3.000 2.895 2.731 3.003 0.003 6 0 "[ . 1]" 3
11 1 70 MET O 1 74 GLY H 1.950 . 2.100 2.032 1.871 2.130 0.030 4 0 "[ . 1]" 3
12 1 70 MET O 1 74 GLY N 2.850 2.700 3.000 2.840 2.702 3.003 0.003 1 0 "[ . 1]" 3
13 1 71 GLY O 1 75 SER H 1.950 . 2.100 2.067 1.894 2.113 0.013 5 0 "[ . 1]" 3
14 1 71 GLY O 1 75 SER N 2.850 2.700 3.000 2.840 2.679 2.985 0.021 4 0 "[ . 1]" 3
15 1 72 GLN O 1 76 THR H 1.950 . 2.100 1.928 1.781 2.105 0.019 10 0 "[ . 1]" 3
16 1 72 GLN O 1 76 THR N 2.850 2.700 3.000 2.809 2.666 2.930 0.034 6 0 "[ . 1]" 3
17 1 90 ASP O 1 94 ALA H 1.950 . 2.100 4.716 3.749 5.457 3.357 8 10 [*******+-*] 3
18 1 90 ASP O 1 94 ALA N 2.850 2.700 3.000 5.387 4.333 6.271 3.271 2 10 [*+******-*] 3
19 1 91 ASN O 1 95 LYS H 1.950 . 2.100 2.091 1.983 2.125 0.025 2 0 "[ . 1]" 3
20 1 91 ASN O 1 95 LYS N 2.850 2.700 3.000 2.884 2.736 3.033 0.033 4 0 "[ . 1]" 3
21 1 92 GLN O 1 96 LYS H 1.950 . 2.100 2.053 1.934 2.116 0.016 4 0 "[ . 1]" 3
22 1 92 GLN O 1 96 LYS N 2.850 2.700 3.000 2.994 2.838 3.050 0.050 2 0 "[ . 1]" 3
23 1 93 ASN O 1 97 VAL H 1.950 . 2.100 3.312 2.372 3.774 1.674 3 9 "[**+-* ****]" 3
24 1 93 ASN O 1 97 VAL N 2.850 2.700 3.000 3.785 2.793 4.427 1.427 3 8 "[**+-* ** *]" 3
stop_
save_
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