NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450776 |
2rmn   |
11012 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rmn
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 469
_Distance_constraint_stats_list.Viol_count 2843
_Distance_constraint_stats_list.Viol_total 11941.922
_Distance_constraint_stats_list.Viol_max 1.449
_Distance_constraint_stats_list.Viol_rms 0.1760
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0577
_Distance_constraint_stats_list.Viol_average_violations_only 0.2000
_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 10 PRO 0.016 0.016 18 0 "[ . 1 . 2 ]"
1 14 ILE 3.603 0.405 2 0 "[ . 1 . 2 ]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 TYR 0.038 0.013 16 0 "[ . 1 . 2 ]"
1 21 PRO 0.442 0.030 20 0 "[ . 1 . 2 ]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 HIS 0.774 0.049 4 0 "[ . 1 . 2 ]"
1 25 SER 0.621 0.041 4 0 "[ . 1 . 2 ]"
1 26 PHE 10.807 0.538 11 7 "[ *** 1+ * . - * ]"
1 27 ASP 3.184 0.347 21 0 "[ . 1 . 2 ]"
1 28 VAL 22.051 0.622 4 21 [***+*******-*********]
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 PHE 0.681 0.040 1 0 "[ . 1 . 2 ]"
1 31 GLN 2.723 0.122 19 0 "[ . 1 . 2 ]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 ALA 18.386 0.682 8 21 [*******+***-*********]
1 40 THR 11.202 0.641 11 2 "[ . 1+- . 2 ]"
1 41 TRP 32.932 0.438 18 0 "[ . 1 . 2 ]"
1 42 THR 14.494 0.679 7 21 [******+***-**********]
1 43 TYR 20.347 0.990 10 21 [*********+-**********]
1 44 SER 0.881 0.054 12 0 "[ . 1 . 2 ]"
1 45 THR 0.302 0.030 19 0 "[ . 1 . 2 ]"
1 46 GLU 0.881 0.054 12 0 "[ . 1 . 2 ]"
1 47 LEU 0.016 0.007 10 0 "[ . 1 . 2 ]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 LYS 0.224 0.035 12 0 "[ . 1 . 2 ]"
1 50 LEU 20.573 0.990 10 21 [*********+-**********]
1 51 TYR 16.174 0.679 7 21 [******+***-**********]
1 52 CYS 31.961 0.438 18 0 "[ . 1 . 2 ]"
1 53 GLN 7.798 0.419 11 0 "[ . 1 . 2 ]"
1 54 ILE 15.667 0.654 3 21 [**+*****************-]
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 LYS 12.525 0.419 11 0 "[ . 1 . 2 ]"
1 57 THR 27.637 0.993 14 21 [***********-*+*******]
1 58 CYS 4.220 0.136 9 0 "[ . 1 . 2 ]"
1 59 PRO 0.168 0.052 11 0 "[ . 1 . 2 ]"
1 60 ILE 2.475 0.122 19 0 "[ . 1 . 2 ]"
1 61 GLN 10.570 0.577 12 18 "[*** *****1*+******-2*]"
1 62 ILE 13.990 0.622 4 21 [***+*******-*********]
1 63 LYS 2.420 0.101 14 0 "[ . 1 . 2 ]"
1 64 VAL 1.291 0.060 4 0 "[ . 1 . 2 ]"
1 65 MET 0.582 0.041 4 0 "[ . 1 . 2 ]"
1 66 THR 0.634 0.037 15 0 "[ . 1 . 2 ]"
1 67 PRO 0.633 0.037 15 0 "[ . 1 . 2 ]"
1 68 PRO 29.084 1.129 20 21 [*-*****************+*]
1 69 PRO 18.430 0.546 19 4 "[ . - 1 .* +2*]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 ALA 16.574 0.651 14 21 [***********-*+*******]
1 73 VAL 1.771 0.100 14 0 "[ . 1 . 2 ]"
1 74 ILE 28.622 1.294 9 21 [******-*+************]
1 75 ARG 0.002 0.002 20 0 "[ . 1 . 2 ]"
1 76 ALA 1.950 0.094 21 0 "[ . 1 . 2 ]"
1 77 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 PRO 1.564 0.095 16 0 "[ . 1 . 2 ]"
1 79 VAL 6.173 0.391 12 0 "[ . 1 . 2 ]"
1 80 TYR 0.372 0.127 17 0 "[ . 1 . 2 ]"
1 81 LYS 0.028 0.009 7 0 "[ . 1 . 2 ]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 ALA 1.040 0.039 9 0 "[ . 1 . 2 ]"
1 84 GLU 0.408 0.024 3 0 "[ . 1 . 2 ]"
1 85 HIS 1.530 0.087 12 0 "[ . 1 . 2 ]"
1 86 VAL 0.668 0.039 9 0 "[ . 1 . 2 ]"
1 87 THR 3.603 0.405 2 0 "[ . 1 . 2 ]"
1 88 GLU 1.518 0.087 12 0 "[ . 1 . 2 ]"
1 89 VAL 0.701 0.350 4 0 "[ . 1 . 2 ]"
1 90 VAL 3.591 0.391 12 0 "[ . 1 . 2 ]"
1 91 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 92 ARG 0.319 0.050 8 0 "[ . 1 . 2 ]"
1 97 GLU 0.319 0.050 8 0 "[ . 1 . 2 ]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 102 PHE 0.436 0.072 11 0 "[ . 1 . 2 ]"
1 103 ASN 1.072 0.096 18 0 "[ . 1 . 2 ]"
1 106 GLN 6.501 0.352 6 0 "[ . 1 . 2 ]"
1 107 ILE 0.953 0.717 9 1 "[ . +1 . 2 ]"
1 108 ALA 5.865 0.352 6 0 "[ . 1 . 2 ]"
1 109 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 114 ILE 17.255 0.846 15 21 [*********-****+******]
1 115 ARG 1.325 0.178 13 0 "[ . 1 . 2 ]"
1 116 VAL 75.547 1.449 3 21 [**+**********-*******]
1 117 GLU 3.437 0.717 9 1 "[ . +1 . 2 ]"
1 118 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 119 ASN 11.589 0.502 21 2 "[ . 1 -. 2+]"
1 120 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 121 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 122 ALA 55.952 1.449 3 21 [**+*******-**********]
1 123 GLN 0.366 0.035 2 0 "[ . 1 . 2 ]"
1 124 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 125 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 126 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 127 ASP 0.803 0.049 20 0 "[ . 1 . 2 ]"
1 129 ILE 0.051 0.016 18 0 "[ . 1 . 2 ]"
1 130 THR 1.541 0.104 15 0 "[ . 1 . 2 ]"
1 131 GLY 0.008 0.005 3 0 "[ . 1 . 2 ]"
1 132 ARG 4.153 0.823 15 2 "[ . - 1 + 2 ]"
1 133 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 134 SER 1.695 0.094 21 0 "[ . 1 . 2 ]"
1 135 VAL 6.783 0.495 4 0 "[ . 1 . 2 ]"
1 136 LEU 1.983 0.100 14 0 "[ . 1 . 2 ]"
1 137 VAL 20.753 1.091 21 21 [**********-*********+]
1 138 PRO 0.094 0.013 4 0 "[ . 1 . 2 ]"
1 139 TYR 10.980 0.419 19 0 "[ . 1 . 2 ]"
1 140 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 142 PRO 7.286 0.381 2 0 "[ . 1 . 2 ]"
1 143 GLN 47.424 0.732 3 21 [**+****************-*]
1 144 VAL 0.534 0.030 10 0 "[ . 1 . 2 ]"
1 146 THR 49.031 0.732 3 21 [**+****************-*]
1 147 GLU 1.100 0.101 3 0 "[ . 1 . 2 ]"
1 148 PHE 7.598 0.381 2 0 "[ . 1 . 2 ]"
1 149 THR 1.118 0.055 12 0 "[ . 1 . 2 ]"
1 150 THR 0.066 0.022 10 0 "[ . 1 . 2 ]"
1 151 VAL 37.365 1.294 9 21 [********+*********-**]
1 152 LEU 21.440 0.993 14 21 [*******-*****+*******]
1 153 TYR 26.932 0.765 5 21 [***-+****************]
1 154 ASN 20.784 0.846 15 21 [*********-****+******]
1 155 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 156 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 157 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 158 ASN 13.593 0.654 3 21 [**+*****************-]
1 159 SER 1.813 0.411 2 0 "[ . 1 . 2 ]"
1 160 SER 1.039 0.065 16 0 "[ . 1 . 2 ]"
1 161 CYS 0.217 0.025 5 0 "[ . 1 . 2 ]"
1 162 VAL 0.081 0.019 21 0 "[ . 1 . 2 ]"
1 164 GLY 0.316 0.035 18 0 "[ . 1 . 2 ]"
1 165 MET 0.476 0.040 20 0 "[ . 1 . 2 ]"
1 166 ASN 0.922 0.040 20 0 "[ . 1 . 2 ]"
1 167 ARG 1.104 0.065 16 0 "[ . 1 . 2 ]"
1 170 ILE 2.027 0.102 12 0 "[ . 1 . 2 ]"
1 171 LEU 13.533 0.553 4 21 [***+**********-******]
1 172 ILE 2.542 0.106 16 0 "[ . 1 . 2 ]"
1 173 ILE 0.769 0.063 16 0 "[ . 1 . 2 ]"
1 174 VAL 0.005 0.005 10 0 "[ . 1 . 2 ]"
1 175 THR 11.584 0.567 19 21 [**-***************+**]
1 176 LEU 20.557 0.538 11 7 "[ *** 1+ * . - * ]"
1 177 GLU 1.582 0.081 9 0 "[ . 1 . 2 ]"
1 178 THR 32.907 0.651 14 21 [******-******+*******]
1 179 ARG 0.033 0.009 11 0 "[ . 1 . 2 ]"
1 180 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 181 GLY 0.018 0.006 13 0 "[ . 1 . 2 ]"
1 182 GLN 1.121 0.071 14 0 "[ . 1 . 2 ]"
1 183 VAL 0.056 0.014 7 0 "[ . 1 . 2 ]"
1 184 LEU 29.089 1.129 20 21 [*-*****************+*]
1 186 ARG 12.426 0.567 19 21 [**-***************+**]
1 187 ARG 10.888 0.474 14 0 "[ . 1 . 2 ]"
1 188 CYS 0.769 0.063 16 0 "[ . 1 . 2 ]"
1 189 PHE 3.682 0.119 16 0 "[ . 1 . 2 ]"
1 190 GLU 12.144 0.553 4 21 [***+**********-******]
1 191 ALA 0.528 0.049 2 0 "[ . 1 . 2 ]"
1 192 ARG 1.593 0.090 21 0 "[ . 1 . 2 ]"
1 193 ILE 7.268 0.411 2 0 "[ . 1 . 2 ]"
1 194 CYS 13.899 0.433 10 0 "[ . 1 . 2 ]"
1 196 CYS 12.016 0.433 10 0 "[ . 1 . 2 ]"
1 197 PRO 6.631 0.120 18 0 "[ . 1 . 2 ]"
1 198 GLY 18.039 0.682 8 21 [*******+***-*********]
1 199 ARG 3.109 0.132 6 0 "[ . 1 . 2 ]"
1 200 ASP 1.664 0.082 20 0 "[ . 1 . 2 ]"
1 201 ARG 2.147 0.132 6 0 "[ . 1 . 2 ]"
1 202 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 203 ALA 1.960 0.075 9 0 "[ . 1 . 2 ]"
1 204 ASP 1.333 0.048 21 0 "[ . 1 . 2 ]"
1 205 GLU 2.261 0.075 9 0 "[ . 1 . 2 ]"
1 206 ASP 1.055 0.048 21 0 "[ . 1 . 2 ]"
1 207 SER 1.042 0.070 17 0 "[ . 1 . 2 ]"
1 208 ILE 0.867 0.064 8 0 "[ . 1 . 2 ]"
1 209 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 210 LYS 1.373 0.072 4 0 "[ . 1 . 2 ]"
1 211 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 212 GLN 0.615 0.072 4 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 16 SER H 1 173 ILE MD 0.000 . 5.400 4.034 3.453 4.506 . 0 0 "[ . 1 . 2 ]" 1
2 1 17 ASN QB 1 171 LEU QD 0.000 . 4.400 2.924 2.915 2.930 . 0 0 "[ . 1 . 2 ]" 1
3 1 17 ASN QD 1 171 LEU QD 0.000 . 4.400 2.519 2.351 2.670 . 0 0 "[ . 1 . 2 ]" 1
4 1 16 SER QB 1 18 THR H 0.000 . 4.200 3.094 3.001 3.256 . 0 0 "[ . 1 . 2 ]" 1
5 1 20 TYR H 1 187 ARG HA 4.000 3.500 4.500 3.797 3.667 3.939 . 0 0 "[ . 1 . 2 ]" 1
6 1 20 TYR H 1 186 ARG H 0.000 . 3.200 3.128 2.984 3.213 0.013 16 0 "[ . 1 . 2 ]" 1
7 1 20 TYR H 1 186 ARG HB2 0.000 . 3.700 3.463 3.143 3.677 . 0 0 "[ . 1 . 2 ]" 1
8 1 22 GLY QA 1 23 PRO QD 0.000 . 3.200 2.030 2.022 2.043 . 0 0 "[ . 1 . 2 ]" 1
9 1 24 HIS H 1 25 SER H 0.000 . 2.700 2.686 2.626 2.711 0.011 7 0 "[ . 1 . 2 ]" 1
10 1 24 HIS H 1 176 LEU MD2 0.000 . 5.600 4.648 4.558 4.689 . 0 0 "[ . 1 . 2 ]" 1
11 1 22 GLY H 1 25 SER H 4.300 3.500 7.300 4.814 4.714 4.933 . 0 0 "[ . 1 . 2 ]" 1
12 1 21 PRO HA 1 25 SER H 4.300 3.500 7.300 4.795 4.684 4.909 . 0 0 "[ . 1 . 2 ]" 1
13 1 21 PRO HA 1 25 SER HA 4.200 3.200 7.200 3.308 3.193 3.417 0.007 10 0 "[ . 1 . 2 ]" 1
14 1 25 SER H 1 26 PHE H 0.000 . 3.200 3.047 3.018 3.070 . 0 0 "[ . 1 . 2 ]" 1
15 1 21 PRO HA 1 26 PHE H 3.000 2.350 3.400 2.952 2.822 3.147 . 0 0 "[ . 1 . 2 ]" 1
16 1 21 PRO HB3 1 26 PHE H 0.000 . 4.200 3.711 3.671 3.786 . 0 0 "[ . 1 . 2 ]" 1
17 1 21 PRO HB2 1 26 PHE H 0.000 . 4.200 4.221 4.213 4.230 0.030 20 0 "[ . 1 . 2 ]" 1
18 1 26 PHE HA 1 64 VAL HA 5.000 3.200 10.200 3.180 3.140 3.227 0.060 4 0 "[ . 1 . 2 ]" 1
19 1 27 ASP HA 1 187 ARG QD 3.600 3.000 4.200 3.093 2.653 3.590 0.347 21 0 "[ . 1 . 2 ]" 1
20 1 28 VAL H 1 187 ARG QD . 4.000 4.200 3.622 3.526 3.774 0.474 14 0 "[ . 1 . 2 ]" 1
21 1 27 ASP HA 1 187 ARG QG 0.000 . 3.900 1.995 1.963 2.117 . 0 0 "[ . 1 . 2 ]" 1
22 1 27 ASP H 1 63 LYS H 0.000 . 3.200 2.889 2.809 2.983 . 0 0 "[ . 1 . 2 ]" 1
23 1 27 ASP H 1 63 LYS QB 0.000 . 3.900 3.496 3.485 3.508 . 0 0 "[ . 1 . 2 ]" 1
24 1 28 VAL MG1 1 29 SER H 0.000 . 4.000 2.328 2.234 2.379 . 0 0 "[ . 1 . 2 ]" 1
25 1 28 VAL MG1 1 174 VAL MG2 0.000 . 5.200 3.619 3.558 3.638 . 0 0 "[ . 1 . 2 ]" 1
26 1 28 VAL H 1 187 ARG QB 0.000 . 5.000 3.262 3.128 3.349 . 0 0 "[ . 1 . 2 ]" 1
27 1 29 SER H 1 61 GLN H 0.000 . 4.200 3.304 3.141 3.394 . 0 0 "[ . 1 . 2 ]" 1
28 1 28 VAL MG1 1 30 PHE H 0.000 . 5.700 4.817 4.792 4.863 . 0 0 "[ . 1 . 2 ]" 1
29 1 30 PHE H 1 45 THR HG1 0.000 . 5.400 5.020 4.877 5.056 . 0 0 "[ . 1 . 2 ]" 1
30 1 30 PHE H 1 31 GLN H 0.000 . 4.300 4.332 4.325 4.340 0.040 1 0 "[ . 1 . 2 ]" 1
31 1 31 GLN H 1 60 ILE HA 0.000 . 4.200 4.297 4.257 4.322 0.122 19 0 "[ . 1 . 2 ]" 1
32 1 35 THR HA 1 198 GLY QA 3.900 3.100 5.600 3.951 3.315 4.426 . 0 0 "[ . 1 . 2 ]" 1
33 1 35 THR HB 1 202 LYS QB 0.000 . 4.800 4.286 4.278 4.300 . 0 0 "[ . 1 . 2 ]" 1
34 1 36 ALA H 1 39 ALA MB 0.000 . 4.200 3.497 3.382 3.519 . 0 0 "[ . 1 . 2 ]" 1
35 1 40 THR HA 1 56 LYS QB 4.000 3.200 6.000 2.975 2.831 3.211 0.369 13 0 "[ . 1 . 2 ]" 1
36 1 40 THR HA 1 57 THR H 5.000 3.900 9.000 5.599 5.338 5.936 . 0 0 "[ . 1 . 2 ]" 1
37 1 39 ALA HA 1 41 TRP H 0.000 . 3.700 3.808 3.766 3.845 0.145 6 0 "[ . 1 . 2 ]" 1
38 1 41 TRP H 1 41 TRP HE1 0.000 . 4.700 4.750 4.732 4.780 0.080 11 0 "[ . 1 . 2 ]" 1
39 1 39 ALA MB 1 41 TRP H 0.000 . 3.600 2.887 2.654 3.006 . 0 0 "[ . 1 . 2 ]" 1
40 1 41 TRP HE1 1 58 CYS HA 0.000 . 3.100 3.170 3.145 3.193 0.093 4 0 "[ . 1 . 2 ]" 1
41 1 41 TRP HE1 1 153 TYR H 6.000 4.000 15.500 7.543 7.469 7.634 . 0 0 "[ . 1 . 2 ]" 1
42 1 41 TRP HE1 1 58 CYS H 6.000 4.000 15.500 5.488 5.428 5.594 . 0 0 "[ . 1 . 2 ]" 1
43 1 41 TRP HE1 1 59 PRO HD2 2.400 2.200 2.600 2.289 2.148 2.407 0.052 11 0 "[ . 1 . 2 ]" 1
44 1 41 TRP HE1 1 59 PRO QG 0.000 . 3.900 3.363 3.151 3.486 . 0 0 "[ . 1 . 2 ]" 1
45 1 31 GLN QE 1 41 TRP HE1 4.000 3.500 6.000 5.042 4.328 5.326 . 0 0 "[ . 1 . 2 ]" 1
46 1 31 GLN QE 1 41 TRP HZ3 0.000 . 4.500 4.035 3.883 4.084 . 0 0 "[ . 1 . 2 ]" 1
47 1 41 TRP HA 1 197 PRO HB3 2.900 2.750 3.050 3.072 3.046 3.096 0.046 17 0 "[ . 1 . 2 ]" 1
48 1 41 TRP HA 1 197 PRO HB2 2.800 2.650 2.950 3.030 3.002 3.046 0.096 8 0 "[ . 1 . 2 ]" 1
49 1 41 TRP HA 1 197 PRO HG2 3.000 2.850 3.150 3.038 2.905 3.114 . 0 0 "[ . 1 . 2 ]" 1
50 1 41 TRP HA 1 52 CYS HB3 3.600 3.400 3.800 3.885 3.879 3.893 0.093 5 0 "[ . 1 . 2 ]" 1
51 1 41 TRP HA 1 52 CYS HA 2.600 2.200 3.200 2.300 2.266 2.345 . 0 0 "[ . 1 . 2 ]" 1
52 1 41 TRP HB3 1 52 CYS QB 3.600 3.200 4.200 2.782 2.762 2.803 0.438 18 0 "[ . 1 . 2 ]" 1
53 1 41 TRP HB2 1 52 CYS QB 3.600 3.200 4.600 2.971 2.847 3.047 0.353 11 0 "[ . 1 . 2 ]" 1
54 1 41 TRP HB2 1 42 THR H 0.000 . 3.000 3.031 2.998 3.055 0.055 14 0 "[ . 1 . 2 ]" 1
55 1 43 TYR HA 1 50 LEU QD 4.200 3.700 6.200 2.745 2.710 2.832 0.990 10 21 [*********+-**********] 1
56 1 43 TYR QD 1 45 THR HA 0.000 . 3.700 3.714 3.700 3.730 0.030 19 0 "[ . 1 . 2 ]" 1
57 1 43 TYR QE 1 45 THR HA 0.000 . 3.700 2.093 1.996 2.202 . 0 0 "[ . 1 . 2 ]" 1
58 1 46 GLU H 1 48 LYS H 0.000 . 4.200 3.980 3.954 4.025 . 0 0 "[ . 1 . 2 ]" 1
59 1 44 SER HA 1 46 GLU H 4.500 4.000 5.000 3.958 3.946 3.966 0.054 12 0 "[ . 1 . 2 ]" 1
60 1 46 GLU QB 1 47 LEU QD 0.000 . 4.000 2.680 2.675 2.684 . 0 0 "[ . 1 . 2 ]" 1
61 1 47 LEU QD 1 208 ILE MD 0.000 . 4.200 2.324 1.929 2.603 . 0 0 "[ . 1 . 2 ]" 1
62 1 46 GLU H 1 47 LEU H 0.000 . 3.200 2.716 2.687 2.734 . 0 0 "[ . 1 . 2 ]" 1
63 1 47 LEU H 1 48 LYS H 0.000 . 3.200 2.178 2.171 2.188 . 0 0 "[ . 1 . 2 ]" 1
64 1 47 LEU H 1 49 LYS H 0.000 . 4.200 4.183 4.157 4.207 0.007 10 0 "[ . 1 . 2 ]" 1
65 1 45 THR HA 1 48 LYS H 0.000 . 4.200 3.222 3.163 3.261 . 0 0 "[ . 1 . 2 ]" 1
66 1 48 LYS H 1 49 LYS H 0.000 . 3.200 2.827 2.808 2.849 . 0 0 "[ . 1 . 2 ]" 1
67 1 44 SER H 1 49 LYS H 3.500 3.000 4.000 3.202 3.159 3.252 . 0 0 "[ . 1 . 2 ]" 1
68 1 50 LEU H 1 191 ALA HA 3.000 2.900 3.150 3.175 3.151 3.199 0.049 2 0 "[ . 1 . 2 ]" 1
69 1 41 TRP HA 1 51 TYR H 0.000 . 4.500 4.611 4.597 4.633 0.133 11 0 "[ . 1 . 2 ]" 1
70 1 42 THR MG 1 51 TYR H 4.000 3.900 4.600 3.240 3.221 3.299 0.679 7 21 [******+***-**********] 1
71 1 51 TYR HA 1 192 ARG H 0.000 . 3.300 2.972 2.924 3.044 . 0 0 "[ . 1 . 2 ]" 1
72 1 51 TYR HA 1 192 ARG HB3 0.000 . 3.000 2.766 2.652 2.830 . 0 0 "[ . 1 . 2 ]" 1
73 1 52 CYS H 1 194 CYS H 0.000 . 3.400 3.443 3.426 3.464 0.064 17 0 "[ . 1 . 2 ]" 1
74 1 52 CYS H 1 193 ILE MG 4.800 4.600 5.200 4.340 4.312 4.353 0.288 21 0 "[ . 1 . 2 ]" 1
75 1 52 CYS H 1 197 PRO QG 0.000 . 4.900 3.348 3.234 3.408 . 0 0 "[ . 1 . 2 ]" 1
76 1 52 CYS H 1 192 ARG HB3 0.000 . 4.000 4.076 4.065 4.090 0.090 21 0 "[ . 1 . 2 ]" 1
77 1 52 CYS HA 1 197 PRO HB3 0.000 . 3.200 3.254 3.235 3.305 0.105 17 0 "[ . 1 . 2 ]" 1
78 1 41 TRP QB 1 52 CYS HA 3.600 3.000 4.200 2.644 2.622 2.674 0.378 19 0 "[ . 1 . 2 ]" 1
79 1 53 GLN HG3 1 197 PRO HD2 0.000 . 3.500 2.772 2.576 2.822 . 0 0 "[ . 1 . 2 ]" 1
80 1 53 GLN HG2 1 197 PRO HD3 0.000 . 3.500 2.732 1.998 2.954 . 0 0 "[ . 1 . 2 ]" 1
81 1 53 GLN H 1 197 PRO QG 0.000 . 3.200 2.917 2.869 2.938 . 0 0 "[ . 1 . 2 ]" 1
82 1 53 GLN H 1 56 LYS QG 4.000 3.500 7.000 3.129 3.081 3.270 0.419 11 0 "[ . 1 . 2 ]" 1
83 1 54 ILE QG 1 55 ALA H 0.000 . 3.700 2.375 2.308 2.415 . 0 0 "[ . 1 . 2 ]" 1
84 1 40 THR MG 1 57 THR H 4.500 4.000 5.200 3.694 3.359 4.040 0.641 11 2 "[ . 1+- . 2 ]" 1
85 1 57 THR HA 1 154 ASN HD22 3.200 3.000 3.700 2.998 2.970 3.062 0.030 12 0 "[ . 1 . 2 ]" 1
86 1 57 THR HA 1 154 ASN HD21 2.800 2.500 3.000 2.464 2.401 2.485 0.099 8 0 "[ . 1 . 2 ]" 1
87 1 58 CYS H 1 153 TYR H 0.000 . 3.200 3.209 3.114 3.238 0.038 5 0 "[ . 1 . 2 ]" 1
88 1 58 CYS H 1 154 ASN HD21 0.000 . 5.000 3.852 3.310 4.115 . 0 0 "[ . 1 . 2 ]" 1
89 1 58 CYS H 1 154 ASN HD22 0.000 . 5.000 4.294 4.086 4.405 . 0 0 "[ . 1 . 2 ]" 1
90 1 58 CYS H 1 153 TYR HB3 0.000 . 4.500 4.614 4.559 4.636 0.136 9 0 "[ . 1 . 2 ]" 1
91 1 60 ILE H 1 152 LEU HA 3.700 3.200 4.200 3.447 3.344 3.547 . 0 0 "[ . 1 . 2 ]" 1
92 1 60 ILE H 1 150 THR MG 0.000 . 4.000 3.346 3.337 3.374 . 0 0 "[ . 1 . 2 ]" 1
93 1 60 ILE MG 1 174 VAL MG2 0.000 . 5.200 3.653 3.636 3.676 . 0 0 "[ . 1 . 2 ]" 1
94 1 78 PRO HG2 1 113 LEU MD2 0.000 . 4.000 3.140 2.555 3.333 . 0 0 "[ . 1 . 2 ]" 1
95 1 28 VAL MG1 1 61 GLN H 0.000 . 5.600 3.895 3.729 3.996 . 0 0 "[ . 1 . 2 ]" 1
96 1 62 ILE H 1 149 THR HB 0.000 . 4.000 3.236 3.202 3.285 . 0 0 "[ . 1 . 2 ]" 1
97 1 62 ILE H 1 150 THR HA 3.900 3.700 4.100 3.721 3.678 3.775 0.022 10 0 "[ . 1 . 2 ]" 1
98 1 62 ILE H 1 148 PHE HB2 0.000 . 4.000 4.028 4.010 4.047 0.047 10 0 "[ . 1 . 2 ]" 1
99 1 26 PHE HA 1 62 ILE MG 0.000 . 4.200 3.555 3.520 3.571 . 0 0 "[ . 1 . 2 ]" 1
100 1 28 VAL HA 1 62 ILE MD 4.000 3.500 8.000 2.888 2.878 2.903 0.622 4 21 [***+*******-*********] 1
101 1 62 ILE H 1 149 THR MG 0.000 . 4.700 3.991 3.985 3.998 . 0 0 "[ . 1 . 2 ]" 1
102 1 28 VAL MG1 1 60 ILE MG 0.000 . 5.000 2.145 1.936 2.287 . 0 0 "[ . 1 . 2 ]" 1
103 1 28 VAL MG2 1 62 ILE MD 0.000 . 5.000 1.996 1.892 2.151 . 0 0 "[ . 1 . 2 ]" 1
104 1 28 VAL MG2 1 63 LYS H 0.000 . 5.000 4.175 4.154 4.188 . 0 0 "[ . 1 . 2 ]" 1
105 1 28 VAL H 1 63 LYS H 0.000 . 4.600 4.661 4.636 4.675 0.075 11 0 "[ . 1 . 2 ]" 1
106 1 27 ASP HB3 1 63 LYS H 0.000 . 3.100 3.139 3.124 3.154 0.054 1 0 "[ . 1 . 2 ]" 1
107 1 63 LYS HA 1 63 LYS QE 4.000 3.600 6.500 4.452 3.866 4.743 . 0 0 "[ . 1 . 2 ]" 1
108 1 24 HIS HB3 1 64 VAL HB 0.000 . 2.700 2.735 2.722 2.749 0.049 4 0 "[ . 1 . 2 ]" 1
109 1 64 VAL HB 1 68 PRO HD3 0.000 . 4.200 3.883 3.776 4.023 . 0 0 "[ . 1 . 2 ]" 1
110 1 64 VAL HB 1 65 MET H 0.000 . 3.000 2.689 2.678 2.707 . 0 0 "[ . 1 . 2 ]" 1
111 1 26 PHE H 1 64 VAL QG 0.000 . 4.400 3.642 3.613 3.654 . 0 0 "[ . 1 . 2 ]" 1
112 1 26 PHE QD 1 64 VAL QG 0.000 . 3.200 2.377 2.097 2.477 . 0 0 "[ . 1 . 2 ]" 1
113 1 64 VAL QG 1 176 LEU MD2 0.000 . 4.700 3.065 2.883 3.190 . 0 0 "[ . 1 . 2 ]" 1
114 1 26 PHE HB2 1 64 VAL QG 0.000 . 3.200 2.707 2.696 2.717 . 0 0 "[ . 1 . 2 ]" 1
115 1 64 VAL QG 1 68 PRO HD3 0.000 . 3.200 2.158 2.081 2.262 . 0 0 "[ . 1 . 2 ]" 1
116 1 64 VAL QG 1 66 THR H 0.000 . 4.800 3.374 3.305 3.599 . 0 0 "[ . 1 . 2 ]" 1
117 1 63 LYS HA 1 64 VAL QG 0.000 . 4.100 3.243 3.235 3.255 . 0 0 "[ . 1 . 2 ]" 1
118 1 64 VAL QG 1 67 PRO HA 0.000 . 4.000 2.711 2.622 2.841 . 0 0 "[ . 1 . 2 ]" 1
119 1 64 VAL QG 1 68 PRO HD2 0.000 . 3.900 3.207 3.190 3.226 . 0 0 "[ . 1 . 2 ]" 1
120 1 25 SER HB2 1 65 MET HB2 0.000 . 3.200 3.228 3.212 3.241 0.041 4 0 "[ . 1 . 2 ]" 1
121 1 25 SER HB3 1 65 MET HB2 0.000 . 3.200 2.952 2.900 3.029 . 0 0 "[ . 1 . 2 ]" 1
122 1 25 SER HB2 1 65 MET HG2 0.000 . 4.000 3.076 2.840 3.252 . 0 0 "[ . 1 . 2 ]" 1
123 1 25 SER HB3 1 65 MET HG2 0.000 . 4.000 2.259 2.106 2.405 . 0 0 "[ . 1 . 2 ]" 1
124 1 25 SER HB2 1 65 MET HG3 0.000 . 4.700 2.885 2.705 3.041 . 0 0 "[ . 1 . 2 ]" 1
125 1 25 SER HB3 1 65 MET HG3 0.000 . 4.700 3.111 3.051 3.188 . 0 0 "[ . 1 . 2 ]" 1
126 1 25 SER HB3 1 65 MET H 2.800 2.200 3.200 2.241 2.199 2.299 0.001 1 0 "[ . 1 . 2 ]" 1
127 1 25 SER HB2 1 65 MET H 4.000 3.500 4.700 3.590 3.507 3.644 . 0 0 "[ . 1 . 2 ]" 1
128 1 65 MET H 1 66 THR H 0.000 . 2.800 2.507 2.486 2.540 . 0 0 "[ . 1 . 2 ]" 1
129 1 65 MET QB 1 66 THR H 0.000 . 2.800 2.492 2.403 2.506 . 0 0 "[ . 1 . 2 ]" 1
130 1 64 VAL HB 1 66 THR H 3.200 2.800 3.400 2.942 2.875 3.166 . 0 0 "[ . 1 . 2 ]" 1
131 1 24 HIS HB3 1 66 THR H 0.000 . 3.500 3.391 3.223 3.501 0.001 1 0 "[ . 1 . 2 ]" 1
132 1 66 THR HB 1 67 PRO HG2 0.000 . 5.000 5.030 5.024 5.037 0.037 15 0 "[ . 1 . 2 ]" 1
133 1 65 MET ME 1 66 THR MG 0.000 . 4.800 3.342 3.340 3.344 . 0 0 "[ . 1 . 2 ]" 1
134 1 67 PRO HB3 1 142 PRO HD2 4.000 3.800 8.000 4.180 3.805 4.623 . 0 0 "[ . 1 . 2 ]" 1
135 1 68 PRO HA 1 184 LEU QD 4.400 4.200 5.600 3.878 3.662 3.963 0.538 2 1 "[ + . 1 . 2 ]" 1
136 1 68 PRO QB 1 184 LEU QD 4.400 4.200 6.600 3.138 3.071 3.206 1.129 20 21 [*-*****************+*] 1
137 1 24 HIS HD2 1 68 PRO HA 0.000 . 4.000 3.785 3.524 4.003 0.003 1 0 "[ . 1 . 2 ]" 1
138 1 69 PRO HB3 1 178 THR MG 4.500 4.000 7.000 4.263 4.127 4.460 . 0 0 "[ . 1 . 2 ]" 1
139 1 69 PRO HB2 1 178 THR MG 4.500 4.000 7.000 3.574 3.454 3.768 0.546 19 4 "[ . - 1 .* +2*]" 1
140 1 69 PRO HB3 1 72 ALA MB 0.000 . 5.600 4.409 4.380 4.443 . 0 0 "[ . 1 . 2 ]" 1
141 1 69 PRO HB2 1 72 ALA MB 0.000 . 4.000 2.908 2.863 3.030 . 0 0 "[ . 1 . 2 ]" 1
142 1 69 PRO HG2 1 178 THR HA 4.000 2.700 8.000 4.119 3.982 4.220 . 0 0 "[ . 1 . 2 ]" 1
143 1 69 PRO HG3 1 184 LEU QD 3.500 3.000 4.000 3.123 3.016 3.162 . 0 0 "[ . 1 . 2 ]" 1
144 1 69 PRO HG2 1 184 LEU QD 0.000 . 4.200 2.260 2.120 2.374 . 0 0 "[ . 1 . 2 ]" 1
145 1 69 PRO HG2 1 72 ALA MB 0.000 . 4.200 3.518 3.512 3.525 . 0 0 "[ . 1 . 2 ]" 1
146 1 69 PRO HD2 1 184 LEU QD 0.000 . 3.400 2.420 2.294 2.509 . 0 0 "[ . 1 . 2 ]" 1
147 1 69 PRO HD3 1 184 LEU QD 0.000 . 3.500 2.735 2.556 2.792 . 0 0 "[ . 1 . 2 ]" 1
148 1 24 HIS HD1 1 69 PRO HD3 4.500 4.000 7.500 4.939 4.766 5.141 . 0 0 "[ . 1 . 2 ]" 1
149 1 72 ALA H 1 72 ALA HA 0.000 . 2.900 2.798 2.797 2.800 . 0 0 "[ . 1 . 2 ]" 1
150 1 71 GLY QA 1 72 ALA H 0.000 . 3.600 2.852 2.847 2.861 . 0 0 "[ . 1 . 2 ]" 1
151 1 72 ALA HA 1 178 THR HA 2.800 2.400 3.000 2.450 2.393 2.522 0.007 4 0 "[ . 1 . 2 ]" 1
152 1 72 ALA HA 1 179 ARG H 3.400 3.000 3.600 3.163 3.067 3.262 . 0 0 "[ . 1 . 2 ]" 1
153 1 72 ALA MB 1 176 LEU MD1 0.000 . 4.000 2.611 2.510 2.694 . 0 0 "[ . 1 . 2 ]" 1
154 1 72 ALA MB 1 139 TYR HB2 0.000 . 3.300 3.381 3.312 3.447 0.147 7 0 "[ . 1 . 2 ]" 1
155 1 73 VAL H 1 179 ARG HA 0.000 . 5.000 4.929 4.829 5.009 0.009 11 0 "[ . 1 . 2 ]" 1
156 1 73 VAL H 1 176 LEU MD1 0.000 . 5.000 4.089 3.923 4.167 . 0 0 "[ . 1 . 2 ]" 1
157 1 73 VAL HA 1 139 TYR H 2.500 2.300 2.700 2.593 2.513 2.666 . 0 0 "[ . 1 . 2 ]" 1
158 1 73 VAL HA 1 138 PRO HA 0.000 . 2.500 2.490 2.468 2.513 0.013 4 0 "[ . 1 . 2 ]" 1
159 1 73 VAL MG1 1 179 ARG HA 0.000 . 4.400 3.696 3.673 3.712 . 0 0 "[ . 1 . 2 ]" 1
160 1 73 VAL MG1 1 138 PRO HA 0.000 . 3.500 2.436 2.371 2.524 . 0 0 "[ . 1 . 2 ]" 1
161 1 73 VAL MG2 1 177 GLU HB2 0.000 . 3.500 2.345 2.228 2.495 . 0 0 "[ . 1 . 2 ]" 1
162 1 73 VAL MG2 1 136 LEU HB3 0.000 . 4.350 3.652 3.638 3.668 . 0 0 "[ . 1 . 2 ]" 1
163 1 74 ILE MG 1 151 VAL QG 0.000 . 5.600 3.176 2.945 3.344 . 0 0 "[ . 1 . 2 ]" 1
164 1 75 ARG HA 1 136 LEU HA 2.700 2.600 2.800 2.654 2.598 2.738 0.002 20 0 "[ . 1 . 2 ]" 1
165 1 76 ALA H 1 136 LEU HA 0.000 . 3.800 3.809 3.770 3.829 0.029 6 0 "[ . 1 . 2 ]" 1
166 1 76 ALA H 1 134 SER HA 0.000 . 4.700 4.781 4.759 4.794 0.094 21 0 "[ . 1 . 2 ]" 1
167 1 76 ALA MB 1 174 VAL HA 0.000 . 4.000 3.383 3.366 3.401 . 0 0 "[ . 1 . 2 ]" 1
168 1 76 ALA MB 1 153 TYR QE 0.000 . 3.300 2.516 2.490 2.533 . 0 0 "[ . 1 . 2 ]" 1
169 1 77 MET H 1 114 ILE MD 0.000 . 6.000 4.059 3.725 4.295 . 0 0 "[ . 1 . 2 ]" 1
170 1 77 MET H 1 172 ILE MG 0.000 . 4.800 3.321 3.161 3.501 . 0 0 "[ . 1 . 2 ]" 1
171 1 77 MET H 1 174 VAL MG2 0.000 . 4.500 3.834 3.818 3.856 . 0 0 "[ . 1 . 2 ]" 1
172 1 78 PRO HA 1 172 ILE HA 0.000 . 2.700 2.596 2.528 2.624 . 0 0 "[ . 1 . 2 ]" 1
173 1 78 PRO HB2 1 170 ILE MD 0.000 . 3.500 2.582 2.399 2.771 . 0 0 "[ . 1 . 2 ]" 1
174 1 79 VAL HA 1 90 VAL MG2 3.000 2.800 3.400 2.641 2.409 2.834 0.391 12 0 "[ . 1 . 2 ]" 1
175 1 79 VAL HA 1 90 VAL H 4.000 3.000 8.400 4.272 4.111 4.390 . 0 0 "[ . 1 . 2 ]" 1
176 1 79 VAL MG1 1 132 ARG QD 0.000 . 3.500 2.553 2.255 2.613 . 0 0 "[ . 1 . 2 ]" 1
177 1 79 VAL MG2 1 171 LEU HB2 0.000 . 3.300 2.668 2.550 2.734 . 0 0 "[ . 1 . 2 ]" 1
178 1 80 TYR H 1 90 VAL MG2 3.200 3.000 3.600 3.007 2.873 3.035 0.127 17 0 "[ . 1 . 2 ]" 1
179 1 80 TYR HA 1 170 ILE HA 0.000 . 2.500 2.506 2.477 2.526 0.026 1 0 "[ . 1 . 2 ]" 1
180 1 81 LYS H 1 170 ILE HA 2.800 2.600 3.200 2.699 2.591 2.894 0.009 7 0 "[ . 1 . 2 ]" 1
181 1 80 TYR HA 1 81 LYS H 3.000 2.200 3.800 2.446 2.391 2.487 . 0 0 "[ . 1 . 2 ]" 1
182 1 82 LYS H 1 82 LYS QB 0.000 . 3.900 2.293 2.286 2.300 . 0 0 "[ . 1 . 2 ]" 1
183 1 82 LYS H 1 82 LYS QG 0.000 . 3.900 2.214 2.197 2.229 . 0 0 "[ . 1 . 2 ]" 1
184 1 83 ALA H 1 84 GLU H 3.800 2.800 4.600 2.781 2.776 2.786 0.024 3 0 "[ . 1 . 2 ]" 1
185 1 83 ALA HA 1 86 VAL H 0.000 . 3.500 3.082 3.070 3.094 . 0 0 "[ . 1 . 2 ]" 1
186 1 83 ALA HA 1 86 VAL HB 2.600 2.400 2.800 2.830 2.814 2.839 0.039 9 0 "[ . 1 . 2 ]" 1
187 1 83 ALA HA 1 86 VAL MG1 0.000 . 3.200 1.850 1.848 1.852 . 0 0 "[ . 1 . 2 ]" 1
188 1 83 ALA H 1 85 HIS H 0.000 . 4.500 4.311 4.283 4.346 . 0 0 "[ . 1 . 2 ]" 1
189 1 85 HIS H 1 86 VAL HB 0.000 . 4.400 4.023 4.013 4.035 . 0 0 "[ . 1 . 2 ]" 1
190 1 80 TYR HB3 1 85 HIS H 0.000 . 4.200 4.132 4.087 4.211 0.011 8 0 "[ . 1 . 2 ]" 1
191 1 80 TYR HB2 1 85 HIS H 0.000 . 4.600 4.250 4.147 4.370 . 0 0 "[ . 1 . 2 ]" 1
192 1 86 VAL H 1 87 THR H 0.000 . 3.200 2.630 2.619 2.638 . 0 0 "[ . 1 . 2 ]" 1
193 1 84 GLU H 1 86 VAL H 0.000 . 4.200 4.072 4.062 4.082 . 0 0 "[ . 1 . 2 ]" 1
194 1 80 TYR HB3 1 86 VAL HA 0.000 . 3.700 3.686 3.638 3.715 0.015 4 0 "[ . 1 . 2 ]" 1
195 1 80 TYR HB2 1 86 VAL HA 0.000 . 4.200 1.986 1.981 1.991 . 0 0 "[ . 1 . 2 ]" 1
196 1 14 ILE MD 1 86 VAL HA 4.500 4.000 9.500 5.043 4.649 5.429 . 0 0 "[ . 1 . 2 ]" 1
197 1 14 ILE MD 1 86 VAL MG2 0.000 . 5.000 3.322 2.935 3.477 . 0 0 "[ . 1 . 2 ]" 1
198 1 14 ILE MD 1 86 VAL MG1 0.000 . 7.000 2.214 1.951 2.593 . 0 0 "[ . 1 . 2 ]" 1
199 1 14 ILE MD 1 87 THR H 5.000 4.000 10.000 3.849 3.595 4.205 0.405 2 0 "[ . 1 . 2 ]" 1
200 1 14 ILE MG 1 87 THR MG 0.000 . 4.800 3.334 3.300 3.353 . 0 0 "[ . 1 . 2 ]" 1
201 1 14 ILE MD 1 87 THR MG 0.000 . 5.200 1.859 1.682 2.120 . 0 0 "[ . 1 . 2 ]" 1
202 1 85 HIS HA 1 88 GLU H 4.000 3.400 4.800 3.328 3.313 3.341 0.087 12 0 "[ . 1 . 2 ]" 1
203 1 92 ARG H 1 97 GLU HB2 0.000 . 4.700 4.640 4.066 4.750 0.050 8 0 "[ . 1 . 2 ]" 1
204 1 101 GLU HA 1 103 ASN H 4.000 3.700 8.700 4.896 4.027 5.758 . 0 0 "[ . 1 . 2 ]" 1
205 1 102 PHE HA 1 103 ASN H 0.000 . 2.700 2.631 2.441 2.772 0.072 11 0 "[ . 1 . 2 ]" 1
206 1 103 ASN HA 1 106 GLN H 0.000 . 4.000 4.024 3.928 4.096 0.096 18 0 "[ . 1 . 2 ]" 1
207 1 106 GLN QB 1 108 ALA H 4.000 3.200 4.800 2.921 2.848 3.066 0.352 6 0 "[ . 1 . 2 ]" 1
208 1 109 PRO HD2 1 124 TYR QD 0.000 . 4.800 3.307 2.313 4.087 . 0 0 "[ . 1 . 2 ]" 1
209 1 109 PRO HD2 1 124 TYR QE 0.000 . 4.800 2.410 1.997 3.773 . 0 0 "[ . 1 . 2 ]" 1
210 1 114 ILE MG 1 153 TYR HB3 0.000 . 4.200 3.526 3.500 3.544 . 0 0 "[ . 1 . 2 ]" 1
211 1 114 ILE MG 1 153 TYR HA 0.000 . 5.500 3.973 3.802 4.038 . 0 0 "[ . 1 . 2 ]" 1
212 1 114 ILE MD 1 172 ILE MD 0.000 . 5.000 3.433 2.981 3.483 . 0 0 "[ . 1 . 2 ]" 1
213 1 115 ARG HA 1 135 VAL MG2 0.000 . 4.200 3.341 2.959 3.512 . 0 0 "[ . 1 . 2 ]" 1
214 1 108 ALA MB 1 116 VAL H 0.000 . 4.200 3.008 2.474 3.510 . 0 0 "[ . 1 . 2 ]" 1
215 1 116 VAL HA 1 153 TYR HA 0.000 . 3.200 2.966 2.920 3.040 . 0 0 "[ . 1 . 2 ]" 1
216 1 116 VAL HA 1 152 LEU H 0.000 . 5.200 4.721 4.653 4.777 . 0 0 "[ . 1 . 2 ]" 1
217 1 116 VAL HB 1 135 VAL MG2 4.000 3.700 4.200 3.377 3.205 3.504 0.495 4 0 "[ . 1 . 2 ]" 1
218 1 116 VAL HB 1 153 TYR QD 0.000 . 5.700 5.738 5.715 5.790 0.090 19 0 "[ . 1 . 2 ]" 1
219 1 116 VAL QG 1 122 ALA MB 3.600 3.500 4.000 2.115 2.051 2.178 1.449 3 21 [**+*******-**********] 1
220 1 116 VAL QG 1 137 VAL HB 0.000 . 5.800 3.694 3.500 3.908 . 0 0 "[ . 1 . 2 ]" 1
221 1 116 VAL QG 1 119 ASN HB2 3.200 2.700 4.400 2.655 2.537 2.785 0.163 21 0 "[ . 1 . 2 ]" 1
222 1 116 VAL QG 1 119 ASN HB3 3.000 2.700 3.300 2.211 2.198 2.253 0.502 21 2 "[ . 1 -. 2+]" 1
223 1 116 VAL QG 1 151 VAL HA 0.000 . 5.600 4.354 4.274 4.427 . 0 0 "[ . 1 . 2 ]" 1
224 1 116 VAL QG 1 152 LEU H 0.000 . 4.400 3.371 3.263 3.499 . 0 0 "[ . 1 . 2 ]" 1
225 1 116 VAL QG 1 153 TYR HA 4.200 3.900 4.900 3.759 3.679 3.836 0.221 5 0 "[ . 1 . 2 ]" 1
226 1 116 VAL QG 1 153 TYR HE1 4.000 3.200 4.200 3.045 2.925 3.388 0.275 18 0 "[ . 1 . 2 ]" 1
227 1 116 VAL QG 1 153 TYR QD 4.500 3.800 5.000 3.118 3.035 3.222 0.765 5 21 [***-+****************] 1
228 1 117 GLU H 1 152 LEU H 4.000 3.200 4.200 3.672 3.617 3.704 . 0 0 "[ . 1 . 2 ]" 1
229 1 117 GLU H 1 152 LEU HB2 3.000 2.600 4.200 2.573 2.547 2.647 0.053 2 0 "[ . 1 . 2 ]" 1
230 1 117 GLU H 1 154 ASN HD22 0.000 . 4.400 4.460 4.416 4.488 0.088 15 0 "[ . 1 . 2 ]" 1
231 1 117 GLU H 1 153 TYR HA 0.000 . 4.000 3.840 3.795 3.951 . 0 0 "[ . 1 . 2 ]" 1
232 1 107 ILE MD 1 117 GLU HA 5.000 4.200 9.000 4.954 3.483 6.222 0.717 9 1 "[ . +1 . 2 ]" 1
233 1 116 VAL QG 1 118 GLY H 0.000 . 5.000 3.530 3.514 3.541 . 0 0 "[ . 1 . 2 ]" 1
234 1 119 ASN H 1 151 VAL QG 5.000 4.200 14.000 6.101 5.950 6.207 . 0 0 "[ . 1 . 2 ]" 1
235 1 117 GLU HA 1 119 ASN H 0.000 . 4.700 3.834 3.745 3.902 . 0 0 "[ . 1 . 2 ]" 1
236 1 116 VAL QG 1 119 ASN H 0.000 . 4.300 2.979 2.907 3.048 . 0 0 "[ . 1 . 2 ]" 1
237 1 119 ASN H 1 122 ALA MB 0.000 . 5.400 3.816 3.681 3.920 . 0 0 "[ . 1 . 2 ]" 1
238 1 116 VAL HB 1 119 ASN H 0.000 . 5.400 4.826 4.719 4.974 . 0 0 "[ . 1 . 2 ]" 1
239 1 119 ASN H 1 137 VAL QG 0.000 . 6.500 5.267 5.258 5.278 . 0 0 "[ . 1 . 2 ]" 1
240 1 121 HIS H 1 122 ALA MB 0.000 . 4.800 3.997 3.955 4.018 . 0 0 "[ . 1 . 2 ]" 1
241 1 119 ASN HA 1 121 HIS H 0.000 . 4.700 3.519 3.476 3.568 . 0 0 "[ . 1 . 2 ]" 1
242 1 116 VAL QG 1 122 ALA H 0.000 . 5.000 4.056 4.038 4.084 . 0 0 "[ . 1 . 2 ]" 1
243 1 120 SER HA 1 122 ALA H 0.000 . 4.000 3.818 3.732 3.896 . 0 0 "[ . 1 . 2 ]" 1
244 1 120 SER QB 1 122 ALA H 0.000 . 5.400 4.809 4.721 4.893 . 0 0 "[ . 1 . 2 ]" 1
245 1 119 ASN HB3 1 122 ALA H 0.000 . 4.000 3.137 3.021 3.202 . 0 0 "[ . 1 . 2 ]" 1
246 1 119 ASN HB2 1 122 ALA H 0.000 . 4.800 4.782 4.654 4.826 0.026 19 0 "[ . 1 . 2 ]" 1
247 1 122 ALA H 1 135 VAL MG2 0.000 . 6.800 5.734 5.717 5.751 . 0 0 "[ . 1 . 2 ]" 1
248 1 122 ALA H 1 137 VAL QG 0.000 . 4.800 3.891 3.807 3.935 . 0 0 "[ . 1 . 2 ]" 1
249 1 122 ALA HA 1 137 VAL QG 0.000 . 4.300 1.951 1.941 1.958 . 0 0 "[ . 1 . 2 ]" 1
250 1 119 ASN HB3 1 122 ALA MB 0.000 . 3.500 2.299 2.067 2.513 . 0 0 "[ . 1 . 2 ]" 1
251 1 122 ALA MB 1 137 VAL QG 4.000 3.500 9.000 2.532 2.409 2.770 1.091 21 21 [**********-*********+] 1
252 1 116 VAL HB 1 122 ALA MB 3.000 2.400 3.200 2.093 1.994 2.223 0.406 20 0 "[ . 1 . 2 ]" 1
253 1 123 GLN H 1 137 VAL HA 0.000 . 4.000 4.017 3.992 4.035 0.035 2 0 "[ . 1 . 2 ]" 1
254 1 123 GLN H 1 135 VAL MG2 0.000 . 4.800 3.222 3.144 3.317 . 0 0 "[ . 1 . 2 ]" 1
255 1 123 GLN H 1 137 VAL QG 0.000 . 4.800 3.220 3.146 3.315 . 0 0 "[ . 1 . 2 ]" 1
256 1 126 GLU HA 1 133 GLN HA 0.000 . 3.000 2.863 2.732 2.991 . 0 0 "[ . 1 . 2 ]" 1
257 1 127 ASP HA 1 129 ILE H 0.000 . 4.000 3.928 3.721 4.010 0.010 20 0 "[ . 1 . 2 ]" 1
258 1 10 PRO QD 1 129 ILE MG 6.000 4.000 15.000 5.814 3.984 7.474 0.016 18 0 "[ . 1 . 2 ]" 1
259 1 10 PRO QD 1 129 ILE MD 6.000 4.000 15.000 6.585 5.316 8.139 . 0 0 "[ . 1 . 2 ]" 1
260 1 127 ASP HB2 1 130 THR H 0.000 . 4.600 4.537 4.389 4.627 0.027 20 0 "[ . 1 . 2 ]" 1
261 1 127 ASP HB3 1 130 THR H 4.000 3.200 4.200 3.214 3.175 3.316 0.025 20 0 "[ . 1 . 2 ]" 1
262 1 130 THR HB 1 132 ARG HB2 0.000 . 4.500 4.563 4.538 4.604 0.104 15 0 "[ . 1 . 2 ]" 1
263 1 89 VAL MG2 1 131 GLY H 0.000 . 5.500 4.355 4.113 4.536 . 0 0 "[ . 1 . 2 ]" 1
264 1 89 VAL MG2 1 131 GLY HA3 0.000 . 4.800 2.618 1.970 3.222 . 0 0 "[ . 1 . 2 ]" 1
265 1 126 GLU QG 1 131 GLY H 0.000 . 5.200 4.218 4.012 4.378 . 0 0 "[ . 1 . 2 ]" 1
266 1 127 ASP HB3 1 131 GLY H 3.000 2.700 3.200 2.875 2.695 3.103 0.005 3 0 "[ . 1 . 2 ]" 1
267 1 127 ASP H 1 132 ARG H 3.500 3.200 4.000 3.884 3.770 4.038 0.038 21 0 "[ . 1 . 2 ]" 1
268 1 132 ARG H 1 132 ARG HE 5.000 4.000 10.000 5.066 4.838 5.613 . 0 0 "[ . 1 . 2 ]" 1
269 1 132 ARG H 1 132 ARG QH 5.000 4.000 10.000 4.969 3.177 5.610 0.823 15 2 "[ . - 1 + 2 ]" 1
270 1 130 THR HB 1 132 ARG H 0.000 . 4.000 3.469 3.384 3.685 . 0 0 "[ . 1 . 2 ]" 1
271 1 127 ASP HB3 1 132 ARG H 2.700 2.200 2.900 2.184 2.151 2.242 0.049 20 0 "[ . 1 . 2 ]" 1
272 1 127 ASP HB2 1 132 ARG H 3.000 2.500 3.800 3.377 3.273 3.529 . 0 0 "[ . 1 . 2 ]" 1
273 1 89 VAL MG1 1 132 ARG H 4.000 3.200 5.200 3.925 3.649 4.242 . 0 0 "[ . 1 . 2 ]" 1
274 1 89 VAL MG2 1 132 ARG H 3.500 2.700 4.000 3.263 2.941 3.348 . 0 0 "[ . 1 . 2 ]" 1
275 1 89 VAL MG1 1 132 ARG HA 0.000 . 3.000 2.381 2.140 2.504 . 0 0 "[ . 1 . 2 ]" 1
276 1 89 VAL MG2 1 132 ARG HA 3.500 3.000 8.000 3.111 2.650 3.648 0.350 4 0 "[ . 1 . 2 ]" 1
277 1 125 VAL MG2 1 134 SER H 0.000 . 3.800 3.133 2.957 3.174 . 0 0 "[ . 1 . 2 ]" 1
278 1 124 TYR HA 1 135 VAL HA 0.000 . 2.700 2.125 2.061 2.165 . 0 0 "[ . 1 . 2 ]" 1
279 1 77 MET HB2 1 135 VAL H 0.000 . 5.600 4.683 4.513 4.969 . 0 0 "[ . 1 . 2 ]" 1
280 1 116 VAL QG 1 135 VAL MG2 0.000 . 3.800 1.810 1.746 1.863 . 0 0 "[ . 1 . 2 ]" 1
281 1 122 ALA MB 1 135 VAL MG2 0.000 . 4.400 2.979 2.889 3.057 . 0 0 "[ . 1 . 2 ]" 1
282 1 114 ILE MG 1 135 VAL MG2 0.000 . 5.600 3.884 3.853 3.903 . 0 0 "[ . 1 . 2 ]" 1
283 1 114 ILE MG 1 135 VAL MG1 0.000 . 3.800 2.286 2.145 2.390 . 0 0 "[ . 1 . 2 ]" 1
284 1 123 GLN H 1 136 LEU H 0.000 . 3.500 3.058 2.985 3.126 . 0 0 "[ . 1 . 2 ]" 1
285 1 73 VAL HB 1 136 LEU HB3 0.000 . 3.200 3.282 3.265 3.300 0.100 14 0 "[ . 1 . 2 ]" 1
286 1 123 GLN QE 1 136 LEU QB 6.000 4.500 12.000 6.588 5.106 6.794 . 0 0 "[ . 1 . 2 ]" 1
287 1 74 ILE HG13 1 137 VAL QG 0.000 . 4.500 3.707 3.664 3.730 . 0 0 "[ . 1 . 2 ]" 1
288 1 119 ASN QD 1 137 VAL HB 0.000 . 2.700 1.912 1.887 1.945 . 0 0 "[ . 1 . 2 ]" 1
289 1 137 VAL HB 1 138 PRO HD2 0.000 . 2.400 2.401 2.388 2.409 0.009 19 0 "[ . 1 . 2 ]" 1
290 1 74 ILE H 1 139 TYR H 0.000 . 4.200 4.033 3.951 4.126 . 0 0 "[ . 1 . 2 ]" 1
291 1 72 ALA MB 1 139 TYR H 0.000 . 4.500 3.803 3.789 3.817 . 0 0 "[ . 1 . 2 ]" 1
292 1 74 ILE HG13 1 139 TYR H 0.000 . 4.500 3.870 3.824 3.920 . 0 0 "[ . 1 . 2 ]" 1
293 1 74 ILE HB 1 139 TYR H 0.000 . 5.400 5.440 5.424 5.456 0.056 17 0 "[ . 1 . 2 ]" 1
294 1 139 TYR H 1 176 LEU MD1 0.000 . 6.000 4.873 4.788 4.950 . 0 0 "[ . 1 . 2 ]" 1
295 1 73 VAL MG1 1 139 TYR H 0.000 . 4.500 3.536 3.477 3.591 . 0 0 "[ . 1 . 2 ]" 1
296 1 74 ILE HG12 1 139 TYR HA 0.000 . 5.000 4.800 4.536 5.021 0.021 14 0 "[ . 1 . 2 ]" 1
297 1 74 ILE MD 1 140 GLU H 0.000 . 5.000 3.860 3.550 4.155 . 0 0 "[ . 1 . 2 ]" 1
298 1 143 GLN H 1 146 THR MG 4.400 4.000 4.800 3.294 3.268 3.302 0.732 3 21 [**+*******-**********] 1
299 1 143 GLN HA 1 146 THR H 4.700 3.500 6.700 5.359 5.345 5.367 . 0 0 "[ . 1 . 2 ]" 1
300 1 144 VAL HA 1 146 THR H 3.300 3.100 3.500 3.525 3.519 3.530 0.030 10 0 "[ . 1 . 2 ]" 1
301 1 143 GLN QB 1 146 THR H 4.700 4.500 5.900 3.979 3.972 3.983 0.528 3 21 [**+****************-*] 1
302 1 144 VAL MG1 1 146 THR H 0.000 . 5.600 4.597 4.538 4.616 . 0 0 "[ . 1 . 2 ]" 1
303 1 143 GLN QB 1 146 THR MG 3.500 2.800 4.200 2.176 2.107 2.200 0.693 3 21 [**+************-*****] 1
304 1 143 GLN QG 1 146 THR MG 5.000 4.200 6.000 3.794 3.742 3.814 0.458 3 0 "[ . 1 . 2 ]" 1
305 1 146 THR HB 1 147 GLU H 0.000 . 3.700 3.752 3.742 3.801 0.101 3 0 "[ . 1 . 2 ]" 1
306 1 146 THR MG 1 148 PHE H 0.000 . 4.000 2.451 2.394 2.650 . 0 0 "[ . 1 . 2 ]" 1
307 1 142 PRO QB 1 148 PHE H 3.700 3.500 4.000 3.182 3.119 3.335 0.381 2 0 "[ . 1 . 2 ]" 1
308 1 142 PRO HA 1 148 PHE H 4.500 4.200 5.200 4.622 4.497 4.806 . 0 0 "[ . 1 . 2 ]" 1
309 1 63 LYS QG 1 148 PHE HB3 4.700 3.700 6.000 3.972 3.599 4.965 0.101 14 0 "[ . 1 . 2 ]" 1
310 1 62 ILE HB 1 149 THR H 0.000 . 3.200 3.223 3.193 3.255 0.055 12 0 "[ . 1 . 2 ]" 1
311 1 142 PRO HA 1 149 THR H 0.000 . 4.400 4.429 4.414 4.439 0.039 21 0 "[ . 1 . 2 ]" 1
312 1 62 ILE HB 1 149 THR HB 0.000 . 2.700 2.289 2.174 2.385 . 0 0 "[ . 1 . 2 ]" 1
313 1 143 GLN QE 1 149 THR MG 5.000 4.400 10.000 4.681 4.373 4.829 0.027 3 0 "[ . 1 . 2 ]" 1
314 1 61 GLN HA 1 150 THR HA 0.000 . 3.200 2.531 2.447 2.645 . 0 0 "[ . 1 . 2 ]" 1
315 1 61 GLN QG 1 151 VAL H 6.000 5.000 12.400 4.519 4.423 5.247 0.577 12 18 "[*** *****1*+******-2*]" 1
316 1 61 GLN HA 1 151 VAL H 4.000 3.600 4.400 3.655 3.583 3.726 0.017 4 0 "[ . 1 . 2 ]" 1
317 1 74 ILE MD 1 151 VAL QG 4.300 3.900 4.700 2.624 2.606 2.636 1.294 9 21 [******-*+************] 1
318 1 74 ILE HB 1 151 VAL QG 0.000 . 4.700 3.719 3.663 3.773 . 0 0 "[ . 1 . 2 ]" 1
319 1 116 VAL HA 1 151 VAL QG 0.000 . 5.000 4.146 4.126 4.170 . 0 0 "[ . 1 . 2 ]" 1
320 1 117 GLU HB3 1 152 LEU H 0.000 . 4.450 4.478 4.459 4.502 0.052 18 0 "[ . 1 . 2 ]" 1
321 1 57 THR MG 1 152 LEU HA 0.000 . 4.200 3.546 3.520 3.578 . 0 0 "[ . 1 . 2 ]" 1
322 1 57 THR MG 1 152 LEU QB 4.000 3.500 7.300 2.537 2.507 2.554 0.993 14 21 [*******-*****+*******] 1
323 1 151 VAL H 1 152 LEU MD2 0.000 . 4.600 3.880 3.874 3.887 . 0 0 "[ . 1 . 2 ]" 1
324 1 59 PRO HB2 1 152 LEU MD2 3.000 2.600 4.200 3.484 3.294 3.608 . 0 0 "[ . 1 . 2 ]" 1
325 1 60 ILE H 1 153 TYR H 0.000 . 4.200 4.221 4.198 4.260 0.060 10 0 "[ . 1 . 2 ]" 1
326 1 153 TYR HE2 1 189 PHE HE2 0.000 . 3.000 3.096 3.057 3.119 0.119 16 0 "[ . 1 . 2 ]" 1
327 1 114 ILE MG 1 154 ASN H 5.200 4.400 5.600 3.578 3.554 3.600 0.846 15 21 [*********-****+******] 1
328 1 115 ARG QB 1 154 ASN H 4.000 3.500 5.000 3.449 3.322 3.744 0.178 13 0 "[ . 1 . 2 ]" 1
329 1 115 ARG H 1 154 ASN H 3.000 2.300 3.200 2.632 2.542 2.744 . 0 0 "[ . 1 . 2 ]" 1
330 1 55 ALA HA 1 155 PHE H 0.000 . 4.200 3.791 3.633 4.010 . 0 0 "[ . 1 . 2 ]" 1
331 1 155 PHE HA 1 157 CYS H 0.000 . 4.200 3.800 3.713 3.903 . 0 0 "[ . 1 . 2 ]" 1
332 1 156 MET H 1 157 CYS H 0.000 . 3.500 2.461 2.383 2.538 . 0 0 "[ . 1 . 2 ]" 1
333 1 54 ILE MD 1 157 CYS H 0.000 . 5.000 3.587 3.091 3.876 . 0 0 "[ . 1 . 2 ]" 1
334 1 157 CYS H 1 193 ILE MD 0.000 . 5.000 3.650 3.457 4.142 . 0 0 "[ . 1 . 2 ]" 1
335 1 54 ILE MD 1 157 CYS HA 0.000 . 3.500 2.200 2.062 2.329 . 0 0 "[ . 1 . 2 ]" 1
336 1 113 LEU MD1 1 157 CYS H 0.000 . 3.000 2.546 2.520 2.580 . 0 0 "[ . 1 . 2 ]" 1
337 1 158 ASN H 1 193 ILE MG 0.000 . 5.600 4.247 4.141 4.470 . 0 0 "[ . 1 . 2 ]" 1
338 1 54 ILE MD 1 158 ASN H 4.000 3.700 5.000 3.058 3.046 3.072 0.654 3 21 [**+*****************-] 1
339 1 54 ILE MD 1 158 ASN HD22 0.000 . 5.500 3.408 3.268 3.822 . 0 0 "[ . 1 . 2 ]" 1
340 1 54 ILE MG 1 158 ASN HD22 0.000 . 5.200 4.362 4.352 4.374 . 0 0 "[ . 1 . 2 ]" 1
341 1 158 ASN HD22 1 161 CYS HB3 0.000 . 3.000 2.873 2.484 3.025 0.025 5 0 "[ . 1 . 2 ]" 1
342 1 159 SER H 1 193 ILE MG 0.000 . 4.500 2.728 2.449 3.209 . 0 0 "[ . 1 . 2 ]" 1
343 1 159 SER H 1 193 ILE HB 0.000 . 3.300 1.973 1.966 1.984 . 0 0 "[ . 1 . 2 ]" 1
344 1 158 ASN HB2 1 160 SER H 0.000 . 3.800 3.326 3.062 3.420 . 0 0 "[ . 1 . 2 ]" 1
345 1 158 ASN QD 1 160 SER H 5.000 4.000 12.900 4.605 4.507 4.705 . 0 0 "[ . 1 . 2 ]" 1
346 1 160 SER H 1 161 CYS H 0.000 . 3.200 2.591 2.548 2.650 . 0 0 "[ . 1 . 2 ]" 1
347 1 161 CYS H 1 166 ASN H 0.000 . 4.200 4.027 3.872 4.220 0.020 5 0 "[ . 1 . 2 ]" 1
348 1 161 CYS H 1 167 ARG H 0.000 . 4.500 4.445 4.270 4.516 0.016 10 0 "[ . 1 . 2 ]" 1
349 1 158 ASN H 1 161 CYS H 0.000 . 4.200 4.125 3.988 4.219 0.019 5 0 "[ . 1 . 2 ]" 1
350 1 162 VAL HA 1 166 ASN HB3 0.000 . 3.500 3.392 2.762 3.519 0.019 21 0 "[ . 1 . 2 ]" 1
351 1 164 GLY H 1 166 ASN HB2 0.000 . 4.800 4.812 4.759 4.835 0.035 18 0 "[ . 1 . 2 ]" 1
352 1 91 LYS QE 1 164 GLY H 0.000 . 5.000 4.468 4.427 4.488 . 0 0 "[ . 1 . 2 ]" 1
353 1 91 LYS QE 1 164 GLY HA2 0.000 . 4.000 3.416 2.488 3.603 . 0 0 "[ . 1 . 2 ]" 1
354 1 164 GLY H 1 166 ASN H 0.000 . 3.000 2.886 2.739 3.022 0.022 8 0 "[ . 1 . 2 ]" 1
355 1 165 MET HG2 1 166 ASN H 0.000 . 4.200 4.221 4.170 4.240 0.040 20 0 "[ . 1 . 2 ]" 1
356 1 165 MET QG 1 167 ARG H 5.000 3.000 8.200 5.024 3.536 5.284 . 0 0 "[ . 1 . 2 ]" 1
357 1 160 SER HA 1 167 ARG H 0.000 . 3.000 3.049 3.037 3.065 0.065 16 0 "[ . 1 . 2 ]" 1
358 1 167 ARG H 1 167 ARG QD 0.000 . 4.200 3.538 3.007 3.821 . 0 0 "[ . 1 . 2 ]" 1
359 1 167 ARG H 1 167 ARG QG 0.000 . 3.500 2.427 2.360 2.532 . 0 0 "[ . 1 . 2 ]" 1
360 1 79 VAL H 1 170 ILE HB 0.000 . 3.100 3.186 3.171 3.202 0.102 12 0 "[ . 1 . 2 ]" 1
361 1 90 VAL MG2 1 170 ILE MG 0.000 . 3.500 2.467 2.454 2.483 . 0 0 "[ . 1 . 2 ]" 1
362 1 79 VAL MG2 1 171 LEU H 0.000 . 5.000 3.040 2.898 3.147 . 0 0 "[ . 1 . 2 ]" 1
363 1 79 VAL H 1 171 LEU H 0.000 . 3.100 3.095 3.077 3.109 0.009 9 0 "[ . 1 . 2 ]" 1
364 1 78 PRO HA 1 171 LEU H 0.000 . 4.700 4.774 4.757 4.795 0.095 16 0 "[ . 1 . 2 ]" 1
365 1 171 LEU HA 1 191 ALA H 0.000 . 3.200 3.057 2.945 3.156 . 0 0 "[ . 1 . 2 ]" 1
366 1 81 LYS HA 1 171 LEU HG 0.000 . 3.200 2.922 2.606 3.119 . 0 0 "[ . 1 . 2 ]" 1
367 1 79 VAL H 1 172 ILE HA 0.000 . 3.500 3.542 3.525 3.575 0.075 10 0 "[ . 1 . 2 ]" 1
368 1 114 ILE MD 1 172 ILE MG 0.000 . 4.000 2.620 2.395 2.779 . 0 0 "[ . 1 . 2 ]" 1
369 1 78 PRO HB3 1 172 ILE MG 0.000 . 5.000 3.954 3.844 4.102 . 0 0 "[ . 1 . 2 ]" 1
370 1 78 PRO HA 1 173 ILE H 0.000 . 4.000 3.886 3.816 3.965 . 0 0 "[ . 1 . 2 ]" 1
371 1 77 MET H 1 173 ILE H 0.000 . 3.000 2.886 2.829 2.969 . 0 0 "[ . 1 . 2 ]" 1
372 1 173 ILE HA 1 188 CYS HA 3.000 2.500 3.200 2.463 2.437 2.485 0.063 16 0 "[ . 1 . 2 ]" 1
373 1 173 ILE MG 1 187 ARG H 0.000 . 5.200 3.981 3.893 4.063 . 0 0 "[ . 1 . 2 ]" 1
374 1 17 ASN HB3 1 173 ILE MD 0.000 . 4.200 3.506 3.484 3.513 . 0 0 "[ . 1 . 2 ]" 1
375 1 174 VAL H 1 187 ARG H 0.000 . 3.800 3.706 3.662 3.759 . 0 0 "[ . 1 . 2 ]" 1
376 1 174 VAL H 1 186 ARG HA 0.000 . 5.400 5.331 5.258 5.405 0.005 10 0 "[ . 1 . 2 ]" 1
377 1 174 VAL H 1 187 ARG QG 6.000 5.500 15.000 5.813 5.665 6.018 . 0 0 "[ . 1 . 2 ]" 1
378 1 76 ALA HA 1 174 VAL HA 2.400 2.250 2.700 2.512 2.485 2.553 . 0 0 "[ . 1 . 2 ]" 1
379 1 28 VAL MG2 1 174 VAL HB 0.000 . 4.400 2.737 2.663 2.857 . 0 0 "[ . 1 . 2 ]" 1
380 1 28 VAL MG2 1 174 VAL QG 0.000 . 5.600 2.899 2.763 3.009 . 0 0 "[ . 1 . 2 ]" 1
381 1 175 THR MG 1 186 ARG HA 3.300 3.200 3.500 2.648 2.633 2.661 0.567 19 21 [**-***************+**] 1
382 1 175 THR HA 1 187 ARG H 3.200 3.000 3.600 3.129 3.035 3.183 . 0 0 "[ . 1 . 2 ]" 1
383 1 175 THR HA 1 186 ARG HA 0.000 . 2.500 2.333 2.278 2.373 . 0 0 "[ . 1 . 2 ]" 1
384 1 74 ILE HA 1 176 LEU HA 0.000 . 2.700 2.745 2.706 2.775 0.075 4 0 "[ . 1 . 2 ]" 1
385 1 139 TYR HB2 1 176 LEU MD1 4.000 3.500 4.500 3.112 3.081 3.127 0.419 19 0 "[ . 1 . 2 ]" 1
386 1 139 TYR HB3 1 176 LEU MD1 4.300 3.800 4.800 3.796 3.765 3.827 0.035 3 0 "[ . 1 . 2 ]" 1
387 1 26 PHE HB2 1 176 LEU MD2 4.000 3.200 6.800 2.732 2.662 2.857 0.538 11 7 "[ *** 1+ * . - * ]" 1
388 1 26 PHE HB3 1 176 LEU MD2 4.000 3.200 6.800 3.871 3.639 4.100 . 0 0 "[ . 1 . 2 ]" 1
389 1 72 ALA HA 1 177 GLU H 0.000 . 4.700 4.773 4.759 4.781 0.081 9 0 "[ . 1 . 2 ]" 1
390 1 74 ILE HA 1 177 GLU H 0.000 . 4.200 3.463 3.373 3.550 . 0 0 "[ . 1 . 2 ]" 1
391 1 72 ALA MB 1 177 GLU H 0.000 . 4.800 3.757 3.674 3.864 . 0 0 "[ . 1 . 2 ]" 1
392 1 73 VAL MG2 1 177 GLU H 0.000 . 4.600 3.323 3.227 3.444 . 0 0 "[ . 1 . 2 ]" 1
393 1 177 GLU HA 1 183 VAL HA 2.500 2.200 2.700 2.651 2.498 2.714 0.014 7 0 "[ . 1 . 2 ]" 1
394 1 177 GLU HA 1 184 LEU QD 0.000 . 4.200 3.353 3.195 3.420 . 0 0 "[ . 1 . 2 ]" 1
395 1 178 THR H 1 182 GLN H 0.000 . 3.100 3.153 3.135 3.171 0.071 14 0 "[ . 1 . 2 ]" 1
396 1 178 THR H 1 184 LEU H 0.000 . 4.700 4.242 4.201 4.281 . 0 0 "[ . 1 . 2 ]" 1
397 1 178 THR H 1 181 GLY H 0.000 . 4.250 4.092 4.038 4.147 . 0 0 "[ . 1 . 2 ]" 1
398 1 178 THR H 1 183 VAL HA 0.000 . 4.000 3.809 3.635 3.880 . 0 0 "[ . 1 . 2 ]" 1
399 1 72 ALA MB 1 178 THR HA 4.200 3.700 4.700 3.065 3.049 3.084 0.651 14 21 [***********-*+*******] 1
400 1 178 THR HA 1 184 LEU QD 0.000 . 4.600 3.237 3.134 3.312 . 0 0 "[ . 1 . 2 ]" 1
401 1 178 THR MG 1 184 LEU QD 0.000 . 3.800 1.685 1.669 1.713 . 0 0 "[ . 1 . 2 ]" 1
402 1 69 PRO HG2 1 178 THR MG 3.000 2.700 3.200 2.248 2.238 2.282 0.462 7 0 "[ . 1 . 2 ]" 1
403 1 72 ALA MB 1 179 ARG H 0.000 . 5.100 4.274 4.255 4.294 . 0 0 "[ . 1 . 2 ]" 1
404 1 71 GLY HA3 1 179 ARG H 5.000 4.000 5.600 4.573 4.372 4.735 . 0 0 "[ . 1 . 2 ]" 1
405 1 73 VAL MG2 1 179 ARG HA 0.000 . 4.400 3.606 3.461 3.665 . 0 0 "[ . 1 . 2 ]" 1
406 1 178 THR HB 1 180 ASP H 0.000 . 3.500 2.816 2.677 2.973 . 0 0 "[ . 1 . 2 ]" 1
407 1 179 ARG HA 1 181 GLY H 0.000 . 3.900 3.859 3.800 3.906 0.006 13 0 "[ . 1 . 2 ]" 1
408 1 181 GLY H 1 182 GLN H 2.400 2.150 2.700 2.364 2.345 2.389 . 0 0 "[ . 1 . 2 ]" 1
409 1 177 GLU HA 1 184 LEU H 3.000 2.700 3.200 2.762 2.697 2.791 0.003 20 0 "[ . 1 . 2 ]" 1
410 1 176 LEU H 1 184 LEU H 0.000 . 4.500 4.449 4.353 4.509 0.009 17 0 "[ . 1 . 2 ]" 1
411 1 176 LEU MD2 1 184 LEU HB2 0.000 . 4.000 2.634 2.493 2.746 . 0 0 "[ . 1 . 2 ]" 1
412 1 178 THR H 1 184 LEU HG 0.000 . 4.000 3.235 3.107 3.400 . 0 0 "[ . 1 . 2 ]" 1
413 1 23 PRO QG 1 184 LEU QD 0.000 . 4.700 2.472 2.391 2.556 . 0 0 "[ . 1 . 2 ]" 1
414 1 20 TYR QD 1 186 ARG H 0.000 . 3.200 2.829 2.641 2.864 . 0 0 "[ . 1 . 2 ]" 1
415 1 20 TYR HB3 1 186 ARG H 0.000 . 4.400 2.663 2.430 2.720 . 0 0 "[ . 1 . 2 ]" 1
416 1 20 TYR HB2 1 186 ARG H 0.000 . 4.400 4.289 3.943 4.403 0.003 18 0 "[ . 1 . 2 ]" 1
417 1 20 TYR HA 1 186 ARG H 0.000 . 5.400 4.740 4.639 4.793 . 0 0 "[ . 1 . 2 ]" 1
418 1 176 LEU H 1 186 ARG HA 4.000 3.500 6.000 3.463 3.425 3.523 0.075 17 0 "[ . 1 . 2 ]" 1
419 1 19 ASP HA 1 187 ARG HA 3.000 2.500 5.000 2.972 2.879 3.084 . 0 0 "[ . 1 . 2 ]" 1
420 1 176 LEU H 1 187 ARG H 0.000 . 4.800 4.828 4.785 4.859 0.059 19 0 "[ . 1 . 2 ]" 1
421 1 171 LEU QD 1 188 CYS HB3 0.000 . 5.000 3.720 3.703 3.734 . 0 0 "[ . 1 . 2 ]" 1
422 1 172 ILE H 1 189 PHE H 0.000 . 3.150 3.229 3.191 3.256 0.106 16 0 "[ . 1 . 2 ]" 1
423 1 171 LEU HG 1 190 GLU HA 0.000 . 3.800 3.827 3.756 3.873 0.073 10 0 "[ . 1 . 2 ]" 1
424 1 171 LEU QD 1 190 GLU HA 3.000 2.700 4.000 2.160 2.147 2.173 0.553 4 21 [***+**********-******] 1
425 1 49 LYS HB2 1 190 GLU H 0.000 . 4.800 4.804 4.742 4.835 0.035 12 0 "[ . 1 . 2 ]" 1
426 1 159 SER H 1 193 ILE H 0.000 . 4.000 3.702 3.428 3.899 . 0 0 "[ . 1 . 2 ]" 1
427 1 159 SER HA 1 193 ILE H 4.000 3.500 10.000 4.576 4.193 5.518 . 0 0 "[ . 1 . 2 ]" 1
428 1 159 SER QB 1 193 ILE H 4.000 3.500 10.000 3.432 3.089 3.590 0.411 2 0 "[ . 1 . 2 ]" 1
429 1 158 ASN HA 1 193 ILE HB 0.000 . 3.200 2.549 2.191 2.938 . 0 0 "[ . 1 . 2 ]" 1
430 1 54 ILE H 1 194 CYS H 0.000 . 4.500 4.604 4.575 4.634 0.134 11 0 "[ . 1 . 2 ]" 1
431 1 194 CYS H 1 197 PRO HG3 0.000 . 3.300 3.392 3.375 3.420 0.120 18 0 "[ . 1 . 2 ]" 1
432 1 194 CYS QB 1 196 CYS H 4.300 3.500 7.500 3.077 3.067 3.088 0.433 10 0 "[ . 1 . 2 ]" 1
433 1 51 TYR HB3 1 197 PRO HA 0.000 . 3.500 2.138 2.049 2.225 . 0 0 "[ . 1 . 2 ]" 1
434 1 51 TYR HB2 1 197 PRO HA 0.000 . 3.500 2.843 2.658 2.961 . 0 0 "[ . 1 . 2 ]" 1
435 1 196 CYS HB2 1 198 GLY H 4.800 4.600 5.000 5.092 5.071 5.111 0.111 11 0 "[ . 1 . 2 ]" 1
436 1 42 THR MG 1 198 GLY HA2 0.000 . 3.200 2.182 2.116 2.337 . 0 0 "[ . 1 . 2 ]" 1
437 1 39 ALA MB 1 198 GLY H 4.300 4.000 5.600 3.328 3.318 3.361 0.682 8 21 [*******+***-*********] 1
438 1 42 THR MG 1 198 GLY H 0.000 . 4.200 3.487 3.382 3.537 . 0 0 "[ . 1 . 2 ]" 1
439 1 39 ALA MB 1 198 GLY HA3 4.000 3.500 8.000 3.410 3.273 3.542 0.227 20 0 "[ . 1 . 2 ]" 1
440 1 39 ALA MB 1 198 GLY HA2 4.000 3.500 8.000 3.700 3.548 3.914 . 0 0 "[ . 1 . 2 ]" 1
441 1 198 GLY H 1 199 ARG H 0.000 . 3.000 2.575 2.552 2.606 . 0 0 "[ . 1 . 2 ]" 1
442 1 197 PRO HA 1 199 ARG H 0.000 . 4.100 4.146 4.131 4.168 0.068 20 0 "[ . 1 . 2 ]" 1
443 1 199 ARG H 1 201 ARG H 0.000 . 4.000 4.102 4.034 4.132 0.132 6 0 "[ . 1 . 2 ]" 1
444 1 199 ARG H 1 200 ASP H 0.000 . 2.800 2.538 2.523 2.563 . 0 0 "[ . 1 . 2 ]" 1
445 1 197 PRO HA 1 200 ASP H 0.000 . 3.500 3.520 3.477 3.537 0.037 19 0 "[ . 1 . 2 ]" 1
446 1 196 CYS HB3 1 200 ASP H 0.000 . 3.700 3.757 3.744 3.782 0.082 20 0 "[ . 1 . 2 ]" 1
447 1 200 ASP H 1 201 ARG H 0.000 . 2.800 2.639 2.618 2.654 . 0 0 "[ . 1 . 2 ]" 1
448 1 51 TYR QD 1 201 ARG H 0.000 . 4.500 4.010 3.920 4.055 . 0 0 "[ . 1 . 2 ]" 1
449 1 201 ARG H 1 202 LYS H 0.000 . 3.000 2.775 2.736 2.860 . 0 0 "[ . 1 . 2 ]" 1
450 1 202 LYS H 1 203 ALA H 0.000 . 2.700 2.683 2.661 2.700 . 0 0 "[ . 1 . 2 ]" 1
451 1 203 ALA H 1 204 ASP H 0.000 . 2.800 2.827 2.817 2.844 0.044 16 0 "[ . 1 . 2 ]" 1
452 1 203 ALA H 1 205 GLU H 0.000 . 4.100 4.158 4.138 4.175 0.075 9 0 "[ . 1 . 2 ]" 1
453 1 200 ASP HA 1 203 ALA H 0.000 . 3.500 3.380 3.209 3.510 0.010 11 0 "[ . 1 . 2 ]" 1
454 1 203 ALA HA 1 206 ASP HB2 0.000 . 2.900 2.905 2.857 2.923 0.023 16 0 "[ . 1 . 2 ]" 1
455 1 204 ASP H 1 205 GLU H 0.000 . 2.800 2.716 2.707 2.730 . 0 0 "[ . 1 . 2 ]" 1
456 1 47 LEU MD1 1 204 ASP H 0.000 . 5.200 4.353 4.336 4.370 . 0 0 "[ . 1 . 2 ]" 1
457 1 47 LEU QD 1 204 ASP HB3 0.000 . 4.000 2.949 2.783 2.993 . 0 0 "[ . 1 . 2 ]" 1
458 1 205 GLU H 1 206 ASP H 0.000 . 3.200 2.702 2.657 2.727 . 0 0 "[ . 1 . 2 ]" 1
459 1 206 ASP H 1 207 SER H 0.000 . 2.700 2.667 2.655 2.675 . 0 0 "[ . 1 . 2 ]" 1
460 1 204 ASP H 1 206 ASP H 0.000 . 4.200 4.237 4.216 4.248 0.048 21 0 "[ . 1 . 2 ]" 1
461 1 207 SER H 1 208 ILE H 0.000 . 2.800 2.659 2.617 2.684 . 0 0 "[ . 1 . 2 ]" 1
462 1 205 GLU HA 1 207 SER H 0.000 . 4.200 4.250 4.234 4.270 0.070 17 0 "[ . 1 . 2 ]" 1
463 1 206 ASP H 1 208 ILE H 0.000 . 4.200 4.192 4.145 4.226 0.026 20 0 "[ . 1 . 2 ]" 1
464 1 208 ILE H 1 210 LYS H 0.000 . 4.000 4.036 4.007 4.064 0.064 8 0 "[ . 1 . 2 ]" 1
465 1 208 ILE H 1 209 ARG H 0.000 . 2.800 2.524 2.486 2.582 . 0 0 "[ . 1 . 2 ]" 1
466 1 209 ARG H 1 210 LYS H 0.000 . 3.000 2.767 2.735 2.790 . 0 0 "[ . 1 . 2 ]" 1
467 1 210 LYS H 1 212 GLN H 0.000 . 4.000 4.029 3.989 4.072 0.072 4 0 "[ . 1 . 2 ]" 1
468 1 208 ILE HA 1 211 GLN H 0.000 . 4.000 3.584 3.426 3.732 . 0 0 "[ . 1 . 2 ]" 1
469 1 184 LEU H 1 184 LEU HG 0.000 . 4.000 2.500 2.441 2.570 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 78
_Distance_constraint_stats_list.Viol_count 115
_Distance_constraint_stats_list.Viol_total 81.942
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0339
_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 20 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 SER 0.338 0.033 9 0 "[ . 1 . 2 ]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 LYS 0.338 0.033 9 0 "[ . 1 . 2 ]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 ILE 0.051 0.020 9 0 "[ . 1 . 2 ]"
1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 VAL 0.577 0.043 21 0 "[ . 1 . 2 ]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 ALA 1.914 0.103 10 0 "[ . 1 . 2 ]"
1 85 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 87 THR 1.914 0.103 10 0 "[ . 1 . 2 ]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 93 CYS 0.720 0.068 18 0 "[ . 1 . 2 ]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 97 GLU 0.720 0.068 18 0 "[ . 1 . 2 ]"
1 98 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 103 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 106 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 109 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 112 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 115 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 117 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 119 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 123 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 125 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 127 ASP 0.026 0.006 1 0 "[ . 1 . 2 ]"
1 132 ARG 0.026 0.006 1 0 "[ . 1 . 2 ]"
1 134 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 135 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 136 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 137 VAL 0.051 0.020 9 0 "[ . 1 . 2 ]"
1 139 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 143 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 146 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 148 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 149 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 151 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 152 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 153 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 154 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 155 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 156 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 158 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 159 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 161 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 164 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 165 MET 0.010 0.010 18 0 "[ . 1 . 2 ]"
1 167 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 168 ARG 0.010 0.010 18 0 "[ . 1 . 2 ]"
1 170 ILE 0.108 0.027 3 0 "[ . 1 . 2 ]"
1 171 LEU 0.577 0.043 21 0 "[ . 1 . 2 ]"
1 172 ILE 0.003 0.003 19 0 "[ . 1 . 2 ]"
1 173 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 174 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 175 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 176 LEU 0.155 0.037 13 0 "[ . 1 . 2 ]"
1 177 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 178 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 181 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 182 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 185 GLY 0.155 0.037 13 0 "[ . 1 . 2 ]"
1 186 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 187 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 189 PHE 0.003 0.003 19 0 "[ . 1 . 2 ]"
1 190 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 191 ALA 0.108 0.027 3 0 "[ . 1 . 2 ]"
1 192 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 194 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 196 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 197 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 198 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 199 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 200 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 201 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 202 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 203 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 204 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 205 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 206 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 207 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 209 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 210 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 TYR H 1 186 ARG O 2.200 . 2.600 2.134 2.098 2.172 . 0 0 "[ . 1 . 2 ]" 2
2 1 21 PRO O 1 26 PHE H 2.200 . 2.600 2.068 1.997 2.118 . 0 0 "[ . 1 . 2 ]" 2
3 1 27 ASP H 1 63 LYS O 2.200 . 2.600 1.939 1.921 1.964 . 0 0 "[ . 1 . 2 ]" 2
4 1 29 SER H 1 61 GLN O 2.200 . 2.600 2.270 2.207 2.331 . 0 0 "[ . 1 . 2 ]" 2
5 1 42 THR H 1 51 TYR O 2.200 . 2.600 2.160 2.116 2.196 . 0 0 "[ . 1 . 2 ]" 2
6 1 44 SER H 1 49 LYS O 2.200 . 2.600 2.367 2.348 2.390 . 0 0 "[ . 1 . 2 ]" 2
7 1 44 SER O 1 48 LYS H 2.200 . 2.600 2.168 2.127 2.199 . 0 0 "[ . 1 . 2 ]" 2
8 1 44 SER O 1 49 LYS H 2.200 . 2.600 2.616 2.590 2.633 0.033 9 0 "[ . 1 . 2 ]" 2
9 1 50 LEU H 1 190 GLU O 2.200 . 2.600 2.192 2.112 2.294 . 0 0 "[ . 1 . 2 ]" 2
10 1 42 THR O 1 51 TYR H 2.200 . 2.600 2.177 2.140 2.232 . 0 0 "[ . 1 . 2 ]" 2
11 1 52 CYS H 1 192 ARG O 2.200 . 2.600 2.001 1.971 2.026 . 0 0 "[ . 1 . 2 ]" 2
12 1 40 THR O 1 53 GLN H 2.200 . 2.600 2.205 2.145 2.270 . 0 0 "[ . 1 . 2 ]" 2
13 1 55 ALA H 1 155 PHE O 2.200 . 2.600 2.235 2.157 2.351 . 0 0 "[ . 1 . 2 ]" 2
14 1 53 GLN O 1 56 LYS H 2.200 . 2.600 2.281 2.252 2.318 . 0 0 "[ . 1 . 2 ]" 2
15 1 58 CYS H 1 153 TYR O 2.200 . 2.600 2.202 2.109 2.337 . 0 0 "[ . 1 . 2 ]" 2
16 1 60 ILE H 1 151 VAL O 2.200 . 2.600 2.062 2.031 2.112 . 0 0 "[ . 1 . 2 ]" 2
17 1 62 ILE H 1 149 THR O 2.200 . 2.600 2.001 1.952 2.024 . 0 0 "[ . 1 . 2 ]" 2
18 1 24 HIS O 1 65 MET H 2.200 . 2.600 2.097 2.057 2.120 . 0 0 "[ . 1 . 2 ]" 2
19 1 73 VAL H 1 177 GLU O 2.200 . 2.600 2.106 2.072 2.128 . 0 0 "[ . 1 . 2 ]" 2
20 1 74 ILE H 1 137 VAL O 2.200 . 2.600 1.930 1.880 1.990 0.020 9 0 "[ . 1 . 2 ]" 2
21 1 75 ARG H 1 175 THR O 2.200 . 2.600 2.156 2.133 2.190 . 0 0 "[ . 1 . 2 ]" 2
22 1 76 ALA H 1 135 VAL O 2.200 . 2.600 2.329 2.283 2.375 . 0 0 "[ . 1 . 2 ]" 2
23 1 77 MET H 1 173 ILE O 2.200 . 2.600 2.269 2.226 2.307 . 0 0 "[ . 1 . 2 ]" 2
24 1 79 VAL H 1 171 LEU O 2.200 . 2.600 2.138 2.116 2.157 . 0 0 "[ . 1 . 2 ]" 2
25 1 82 LYS O 1 85 HIS H 2.200 . 2.600 2.056 2.037 2.073 . 0 0 "[ . 1 . 2 ]" 2
26 1 82 LYS O 1 86 VAL H 2.200 . 2.600 2.139 2.111 2.172 . 0 0 "[ . 1 . 2 ]" 2
27 1 83 ALA O 1 87 THR H 2.200 . 2.600 2.691 2.682 2.703 0.103 10 0 "[ . 1 . 2 ]" 2
28 1 85 HIS O 1 88 GLU H 2.200 . 2.600 2.061 2.025 2.090 . 0 0 "[ . 1 . 2 ]" 2
29 1 93 CYS O 1 97 GLU H 2.200 . 2.600 1.866 1.832 1.888 0.068 18 0 "[ . 1 . 2 ]" 2
30 1 94 PRO O 1 98 LEU H 2.200 . 2.600 2.215 2.122 2.400 . 0 0 "[ . 1 . 2 ]" 2
31 1 103 ASN O 1 106 GLN H 2.200 . 2.600 2.123 2.041 2.174 . 0 0 "[ . 1 . 2 ]" 2
32 1 109 PRO O 1 112 HIS H 2.200 . 2.600 2.303 2.219 2.364 . 0 0 "[ . 1 . 2 ]" 2
33 1 115 ARG H 1 154 ASN O 2.200 . 2.600 2.196 2.137 2.256 . 0 0 "[ . 1 . 2 ]" 2
34 1 117 GLU H 1 152 LEU O 2.200 . 2.600 2.022 1.998 2.060 . 0 0 "[ . 1 . 2 ]" 2
35 1 119 ASN O 1 122 ALA H 2.200 . 2.600 2.085 2.035 2.119 . 0 0 "[ . 1 . 2 ]" 2
36 1 123 GLN H 1 136 LEU O 2.200 . 2.600 2.377 2.353 2.412 . 0 0 "[ . 1 . 2 ]" 2
37 1 125 VAL H 1 134 SER O 2.200 . 2.600 2.098 2.069 2.133 . 0 0 "[ . 1 . 2 ]" 2
38 1 127 ASP H 1 132 ARG O 2.200 . 2.600 1.951 1.894 2.040 0.006 1 0 "[ . 1 . 2 ]" 2
39 1 125 VAL O 1 134 SER H 2.200 . 2.600 2.445 2.406 2.480 . 0 0 "[ . 1 . 2 ]" 2
40 1 76 ALA O 1 135 VAL H 2.200 . 2.600 2.376 2.310 2.455 . 0 0 "[ . 1 . 2 ]" 2
41 1 123 GLN O 1 136 LEU H 2.200 . 2.600 1.998 1.960 2.035 . 0 0 "[ . 1 . 2 ]" 2
42 1 74 ILE O 1 137 VAL H 2.200 . 2.600 2.341 2.308 2.392 . 0 0 "[ . 1 . 2 ]" 2
43 1 72 ALA O 1 139 TYR H 2.200 . 2.600 2.243 2.204 2.281 . 0 0 "[ . 1 . 2 ]" 2
44 1 143 GLN H 1 148 PHE O 2.200 . 2.600 2.224 2.195 2.308 . 0 0 "[ . 1 . 2 ]" 2
45 1 143 GLN O 1 146 THR H 2.200 . 2.600 2.246 2.232 2.260 . 0 0 "[ . 1 . 2 ]" 2
46 1 62 ILE O 1 149 THR H 2.200 . 2.600 2.270 2.215 2.371 . 0 0 "[ . 1 . 2 ]" 2
47 1 60 ILE O 1 151 VAL H 2.200 . 2.600 2.099 2.071 2.152 . 0 0 "[ . 1 . 2 ]" 2
48 1 58 CYS O 1 153 TYR H 2.200 . 2.600 2.353 2.251 2.404 . 0 0 "[ . 1 . 2 ]" 2
49 1 115 ARG O 1 154 ASN H 2.200 . 2.600 2.145 2.101 2.225 . 0 0 "[ . 1 . 2 ]" 2
50 1 113 LEU O 1 156 MET H 2.200 . 2.600 2.379 2.340 2.511 . 0 0 "[ . 1 . 2 ]" 2
51 1 158 ASN O 1 161 CYS H 2.200 . 2.600 2.291 2.223 2.351 . 0 0 "[ . 1 . 2 ]" 2
52 1 161 CYS O 1 164 GLY H 2.200 . 2.600 2.458 2.381 2.588 . 0 0 "[ . 1 . 2 ]" 2
53 1 159 SER O 1 167 ARG H 2.200 . 2.600 2.037 1.960 2.117 . 0 0 "[ . 1 . 2 ]" 2
54 1 165 MET O 1 168 ARG H 2.200 . 2.600 1.968 1.890 2.069 0.010 18 0 "[ . 1 . 2 ]" 2
55 1 79 VAL O 1 171 LEU H 2.200 . 2.600 1.873 1.857 1.892 0.043 21 0 "[ . 1 . 2 ]" 2
56 1 172 ILE H 1 189 PHE O 2.200 . 2.600 2.022 1.897 2.080 0.003 19 0 "[ . 1 . 2 ]" 2
57 1 77 MET O 1 173 ILE H 2.200 . 2.600 2.159 2.124 2.191 . 0 0 "[ . 1 . 2 ]" 2
58 1 174 VAL H 1 187 ARG O 2.200 . 2.600 2.083 2.045 2.198 . 0 0 "[ . 1 . 2 ]" 2
59 1 75 ARG O 1 175 THR H 2.200 . 2.600 2.163 2.091 2.218 . 0 0 "[ . 1 . 2 ]" 2
60 1 176 LEU H 1 185 GLY O 2.200 . 2.600 2.069 2.024 2.152 . 0 0 "[ . 1 . 2 ]" 2
61 1 73 VAL O 1 177 GLU H 2.200 . 2.600 2.165 2.116 2.239 . 0 0 "[ . 1 . 2 ]" 2
62 1 178 THR H 1 182 GLN O 2.200 . 2.600 2.042 1.968 2.078 . 0 0 "[ . 1 . 2 ]" 2
63 1 178 THR O 1 181 GLY H 2.200 . 2.600 2.046 2.030 2.059 . 0 0 "[ . 1 . 2 ]" 2
64 1 176 LEU O 1 185 GLY H 2.200 . 2.600 2.601 2.564 2.637 0.037 13 0 "[ . 1 . 2 ]" 2
65 1 174 VAL O 1 187 ARG H 2.200 . 2.600 2.141 2.073 2.197 . 0 0 "[ . 1 . 2 ]" 2
66 1 172 ILE O 1 189 PHE H 2.200 . 2.600 2.194 2.163 2.246 . 0 0 "[ . 1 . 2 ]" 2
67 1 170 ILE O 1 191 ALA H 2.200 . 2.600 2.573 2.444 2.627 0.027 3 0 "[ . 1 . 2 ]" 2
68 1 50 LEU O 1 192 ARG H 2.200 . 2.600 2.244 2.206 2.285 . 0 0 "[ . 1 . 2 ]" 2
69 1 52 CYS O 1 194 CYS H 2.200 . 2.600 2.028 2.001 2.066 . 0 0 "[ . 1 . 2 ]" 2
70 1 196 CYS O 1 200 ASP H 2.200 . 2.600 2.290 2.267 2.316 . 0 0 "[ . 1 . 2 ]" 2
71 1 197 PRO O 1 201 ARG H 2.200 . 2.600 2.308 2.219 2.379 . 0 0 "[ . 1 . 2 ]" 2
72 1 198 GLY O 1 202 LYS H 2.200 . 2.600 2.299 2.255 2.350 . 0 0 "[ . 1 . 2 ]" 2
73 1 199 ARG O 1 203 ALA H 2.200 . 2.600 2.195 2.126 2.254 . 0 0 "[ . 1 . 2 ]" 2
74 1 200 ASP O 1 204 ASP H 2.200 . 2.600 2.348 2.265 2.429 . 0 0 "[ . 1 . 2 ]" 2
75 1 202 LYS O 1 206 ASP H 2.200 . 2.600 2.082 2.030 2.112 . 0 0 "[ . 1 . 2 ]" 2
76 1 203 ALA O 1 207 SER H 2.200 . 2.600 2.270 2.203 2.334 . 0 0 "[ . 1 . 2 ]" 2
77 1 205 GLU O 1 209 ARG H 2.200 . 2.600 2.212 2.120 2.307 . 0 0 "[ . 1 . 2 ]" 2
78 1 206 ASP O 1 210 LYS H 2.200 . 2.600 2.194 2.132 2.268 . 0 0 "[ . 1 . 2 ]" 2
stop_
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