NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482201 |
1la3   |
5332 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1la3
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 831
_Distance_constraint_stats_list.Viol_count 3551
_Distance_constraint_stats_list.Viol_total 153910.953
_Distance_constraint_stats_list.Viol_max 12.400
_Distance_constraint_stats_list.Viol_rms 2.0873
_Distance_constraint_stats_list.Viol_average_all_restraints 0.9450
_Distance_constraint_stats_list.Viol_average_violations_only 3.0959
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 30.510 2.650 14 14 [***********-*+]
1 2 ASN 0.038 0.014 5 0 "[ . 1 ]"
1 3 SER 40.889 2.650 14 14 [***********-*+]
1 4 LYS 113.308 9.176 10 14 [-********+****]
1 5 SER 0.294 0.064 9 0 "[ . 1 ]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 7 ALA 10.417 1.278 3 12 "[**+** ** **-**]"
1 8 LEU 593.433 8.720 4 14 [***+********-*]
1 9 SER 0.075 0.034 11 0 "[ . 1 ]"
1 10 LYS 1.050 0.288 9 0 "[ . 1 ]"
1 11 GLU 148.508 6.797 13 14 [************+*]
1 12 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 13 LEU 28.979 1.500 6 14 [*****+****-***]
1 14 GLU 41.831 3.503 14 14 [********-****+]
1 15 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 16 LEU 0.371 0.116 12 0 "[ . 1 ]"
1 17 GLN 41.921 3.503 14 14 [********-****+]
1 18 LEU 9.955 1.095 8 10 "[ * **-+ *****]"
1 19 ASN 177.338 8.552 10 14 [******-**+****]
1 20 THR 0.133 0.133 13 0 "[ . 1 ]"
1 21 LYS 123.716 6.797 13 14 [***********-+*]
1 22 PHE 67.918 6.125 11 14 [**********+-**]
1 23 THR 18.206 1.787 7 14 [******+****-**]
1 24 GLU 68.651 4.294 12 14 [***********+*-]
1 25 GLU 588.848 8.720 4 14 [***+*-********]
1 26 GLU 8.306 0.952 13 5 "[ *** 1 +-]"
1 27 LEU 36.140 1.787 7 14 [*-****+*******]
1 28 SER 140.718 6.424 4 14 [***+*-********]
1 29 SER 117.283 9.176 10 14 [***-*****+****]
1 30 TRP 0.005 0.005 13 0 "[ . 1 ]"
1 31 TYR 105.026 3.831 8 14 [**-****+******]
1 32 GLN 461.579 11.692 9 14 [********+*-***]
1 33 SER 5.080 0.786 13 4 "[ * . 1-*+ ]"
1 34 PHE 0.976 0.156 11 0 "[ . 1 ]"
1 35 LEU 27.602 1.830 4 14 [***+*-********]
1 36 LYS 679.956 12.400 14 14 [*****-*******+]
1 37 GLU 4.450 0.434 3 0 "[ . 1 ]"
1 38 CYS 0.868 0.347 9 0 "[ . 1 ]"
1 39 PRO 66.600 3.569 9 14 [*******-+*****]
1 40 SER 73.119 5.820 13 14 [*******-****+*]
1 42 ARG 187.059 9.126 14 14 [*********-***+]
1 43 ILE 219.881 5.820 13 14 [*****-******+*]
1 44 THR 676.062 6.937 2 14 [*+-***********]
1 45 ARG 220.006 7.000 9 14 [***-****+*****]
1 46 GLN 121.793 10.246 14 14 [***-*********+]
1 47 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 48 PHE 10.743 0.865 12 6 "[ **-* *1 + ]"
1 49 GLN 511.105 11.607 4 14 [***+*-********]
1 50 THR 1.684 0.228 13 0 "[ . 1 ]"
1 51 ILE 8.442 0.865 12 6 "[ **-* *1 + ]"
1 52 TYR 332.665 8.382 4 14 [*-*+**********]
1 53 SER 8.193 0.600 6 4 "[** -+ 1 ]"
1 54 LYS 299.038 7.081 9 14 [****-***+*****]
1 55 PHE 1.456 0.395 9 0 "[ . 1 ]"
1 56 PHE 235.251 6.424 4 14 [**-+**********]
1 57 PRO 229.899 5.837 2 14 [*+**-*********]
1 58 GLU 156.421 7.081 9 14 [********+****-]
1 59 ALA 0.179 0.060 9 0 "[ . 1 ]"
1 60 ASP 362.022 8.552 10 14 [********-+****]
1 61 PRO 114.887 3.987 13 14 [***-********+*]
1 62 LYS 174.417 5.961 13 14 [***-********+*]
1 63 ALA 69.822 5.982 13 14 [*******-****+*]
1 64 TYR 126.644 4.587 13 14 [*********-**+*]
1 65 ALA 148.219 6.019 13 14 [*******-****+*]
1 66 GLN 473.768 11.852 13 14 [*****-******+*]
1 67 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 68 VAL 251.720 6.458 12 14 [********-**+**]
1 69 PHE 204.536 8.224 12 14 [***********+*-]
1 70 ARG 282.854 10.246 14 14 [**********-**+]
1 71 SER 0.000 0.000 . 0 "[ . 1 ]"
1 72 PHE 210.779 5.809 8 14 [*-*****+******]
1 73 ASP 9.570 1.322 2 10 "[ +*** **1-***]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 75 ASN 30.408 3.343 1 14 [+-************]
1 76 SER 0.000 0.000 . 0 "[ . 1 ]"
1 79 THR 0.000 0.000 . 0 "[ . 1 ]"
1 80 LEU 273.816 8.026 14 14 [*********-***+]
1 81 ASP 59.698 4.442 2 14 [*+*******-****]
1 82 PHE 153.440 4.869 2 14 [*+***-********]
1 83 LYS 1026.761 11.607 4 14 [***+*********-]
1 84 GLN 509.824 12.400 14 14 [*************+]
1 85 TYR 2.528 0.547 6 1 "[ .+ 1 ]"
1 86 VAL 0.593 0.062 1 0 "[ . 1 ]"
1 87 ILE 428.495 11.692 9 14 [*******-+*****]
1 88 ALA 14.202 0.911 11 14 [*****-****+***]
1 89 LEU 5.038 1.834 13 2 "[ . 1- + ]"
1 90 HIS 587.771 11.852 13 14 [**-*********+*]
1 91 MET 57.343 2.312 10 14 [*********+-***]
1 92 THR 10.564 1.969 11 3 "[ - . 1+ * ]"
1 93 SER 0.000 0.000 . 0 "[ . 1 ]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 102 GLU 30.408 2.482 9 14 [********+-****]
1 103 TRP 6.819 0.881 11 6 "[* .- **1+* ]"
1 104 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 105 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 106 SER 6.819 0.881 11 6 "[* .- **1+* ]"
1 107 LEU 40.483 2.194 11 14 [***-******+***]
1 108 TYR 525.804 8.224 12 14 [***********+**]
1 109 ASP 36.624 2.966 13 14 [*****-******+*]
1 110 VAL 213.961 7.423 6 14 [*-***+********]
1 111 ASP 59.482 4.052 13 14 [*-**********+*]
1 112 GLY 0.101 0.038 9 0 "[ . 1 ]"
1 113 ASN 5.254 0.752 8 7 "[ * ** + 1-** ]"
1 114 GLY 5.183 0.752 8 7 "[ * ** + 1-** ]"
1 115 THR 18.879 1.623 11 14 [****-*****+***]
1 116 ILE 340.189 5.681 11 14 [**-*******+***]
1 117 SER 302.747 7.423 6 14 [**-**+********]
1 118 LYS 215.061 8.966 1 14 [+**********-**]
1 119 ASN 9.106 0.682 8 14 [*******+***-**]
1 120 GLU 0.181 0.061 9 0 "[ . 1 ]"
1 121 VAL 140.525 5.886 4 14 [***+*********-]
1 122 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 123 GLU 0.181 0.061 9 0 "[ . 1 ]"
1 124 ILE 8.784 1.356 2 7 "[ + ***- ** ]"
1 125 VAL 120.950 6.458 12 14 [*****-*****+**]
1 126 THR 393.627 8.433 5 14 [**-*+*********]
1 127 ALA 168.282 7.721 5 14 [****+*******-*]
1 128 ILE 235.124 6.019 13 14 [************+*]
1 129 PHE 225.676 9.646 5 14 [**-*+*********]
1 130 LYS 766.460 9.700 7 14 [******+*****-*]
1 131 MET 0.827 0.407 5 0 "[ . 1 ]"
1 132 ILE 195.235 5.982 13 14 [************+*]
1 133 SER 52.953 2.624 7 14 [******+*****-*]
1 134 PRO 3.865 0.612 14 3 "[ * -. 1 +]"
1 135 GLU 5.039 0.612 14 3 "[ * -. 1 +]"
1 136 ASP 1.312 0.274 13 0 "[ . 1 ]"
1 137 THR 0.207 0.069 10 0 "[ . 1 ]"
1 138 LYS 328.598 9.012 6 14 [-****+********]
1 139 HIS 0.069 0.069 10 0 "[ . 1 ]"
1 140 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 141 PRO 385.532 9.700 7 14 [-*****+*******]
1 142 GLU 3.949 0.666 3 3 "[ + .- * ]"
1 143 ASP 51.789 4.902 7 14 [*****-+*******]
1 144 GLU 0.480 0.180 8 0 "[ . 1 ]"
1 145 ASN 53.820 4.600 9 14 [****-***+*****]
1 146 THR 228.450 6.949 3 14 [-*+***********]
1 147 PRO 106.729 4.321 11 14 [**********+*-*]
1 148 GLU 502.935 7.721 5 14 [-***+*********]
1 149 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 150 ARG 44.572 4.321 11 14 [***-******+***]
1 151 ALA 106.898 4.600 9 14 [********+***-*]
1 152 GLU 222.540 7.190 4 14 [***+****-*****]
1 153 LYS 0.008 0.008 3 0 "[ . 1 ]"
1 154 ILE 30.011 1.210 3 14 [**+***-*******]
1 155 TRP 438.364 12.371 10 14 [*********+**-*]
1 156 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 157 PHE 23.581 2.569 9 13 [****.*-*+*****]
1 158 PHE 102.816 4.900 3 14 [**+***********]
1 159 GLY 6.919 0.891 3 9 "[* +*.- **** *]"
1 160 LYS 41.868 2.569 9 14 [*****-**+*****]
1 161 LYS 544.905 11.371 14 14 [********-****+]
1 162 ASP 47.097 4.339 12 14 [********-**+**]
1 163 ASP 0.305 0.126 14 0 "[ . 1 ]"
1 164 ASP 1.222 0.206 9 0 "[ . 1 ]"
1 165 LYS 308.026 4.945 9 14 [-*******+*****]
1 166 LEU 90.432 5.527 6 14 [-****+********]
1 167 THR 592.300 11.371 14 14 [-************+]
1 168 GLU 237.409 5.334 11 14 [-*********+***]
1 169 LYS 78.946 5.681 11 14 [-*********+***]
1 170 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 171 PHE 14.599 1.137 1 14 [+***********-*]
1 172 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 173 GLU 33.200 2.482 9 14 [******-*+*****]
1 174 GLY 13.983 1.137 1 14 [+***********-*]
1 175 THR 0.000 0.000 . 0 "[ . 1 ]"
1 176 LEU 26.574 2.686 10 14 [*********+***-]
1 177 ALA 6.394 0.692 5 3 "[ + * 1* ]"
1 178 ASN 3.602 0.547 11 2 "[ - 1+ ]"
1 179 LYS 24.338 2.686 10 14 [*********+***-]
1 180 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 181 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 182 LEU 109.614 4.900 3 14 [**+***********]
1 183 ARG 0.042 0.042 12 0 "[ . 1 ]"
1 184 LEU 29.354 3.448 2 14 [*+******-*****]
1 185 ILE 15.652 1.849 4 13 "[***+****** -**]"
1 186 GLN 167.661 12.371 10 14 [*********+*-**]
1 187 PHE 40.383 3.448 2 14 [*+******-*****]
1 188 GLU 141.471 6.810 10 14 [*********+**-*]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 ASN HA 0.000 . 6.000 4.056 4.005 4.140 . 0 0 "[ . 1 ]" 1
2 1 1 GLY QA 1 2 ASN H 0.000 . 2.900 2.854 2.728 2.914 0.014 5 0 "[ . 1 ]" 1
3 1 1 GLY QA 1 3 SER H 0.000 . 3.500 5.677 4.733 6.150 2.650 14 14 [***********-*+] 1
4 1 1 GLY QA 1 32 GLN QE 0.000 . 8.000 4.170 2.382 6.128 . 0 0 "[ . 1 ]" 1
5 1 2 ASN HA 1 3 SER H 0.000 . 3.900 2.326 2.129 2.770 . 0 0 "[ . 1 ]" 1
6 1 3 SER H 1 7 ALA H 0.000 . 6.000 6.744 6.211 7.278 1.278 3 12 "[**+** ** **-**]" 1
7 1 4 LYS HA 1 29 SER QB 0.000 . 3.700 11.793 10.719 12.876 9.176 10 14 [-********+****] 1
8 1 4 LYS HA 1 5 SER H 0.000 . 5.000 3.543 3.460 3.562 . 0 0 "[ . 1 ]" 1
9 1 4 LYS QB 1 5 SER H 0.000 . 4.500 2.263 1.724 3.559 . 0 0 "[ . 1 ]" 1
10 1 4 LYS QB 1 6 GLY H 0.000 . 6.000 4.156 3.839 4.886 . 0 0 "[ . 1 ]" 1
11 1 5 SER HA 1 6 GLY H 0.000 . 3.500 3.394 3.354 3.462 . 0 0 "[ . 1 ]" 1
12 1 5 SER HA 1 8 LEU QB 0.000 . 4.200 3.251 2.143 4.021 . 0 0 "[ . 1 ]" 1
13 1 5 SER HA 1 8 LEU H 0.000 . 3.500 3.498 3.323 3.564 0.064 9 0 "[ . 1 ]" 1
14 1 5 SER QB 1 6 GLY H 0.000 . 3.900 3.169 2.889 3.667 . 0 0 "[ . 1 ]" 1
15 1 5 SER QB 1 7 ALA H 0.000 . 6.000 4.851 4.513 5.152 . 0 0 "[ . 1 ]" 1
16 1 5 SER QB 1 8 LEU H 0.000 . 6.000 5.152 4.910 5.378 . 0 0 "[ . 1 ]" 1
17 1 5 SER HG 1 6 GLY H 0.000 . 6.000 4.359 3.612 5.081 . 0 0 "[ . 1 ]" 1
18 1 5 SER H 1 6 GLY H 0.000 . 3.500 2.659 2.301 2.809 . 0 0 "[ . 1 ]" 1
19 1 6 GLY H 1 7 ALA H 0.000 . 3.500 2.407 2.328 2.516 . 0 0 "[ . 1 ]" 1
20 1 7 ALA HA 1 10 LYS H 0.000 . 4.500 3.438 3.229 3.546 . 0 0 "[ . 1 ]" 1
21 1 7 ALA HA 1 8 LEU H 0.000 . 4.500 3.540 3.514 3.558 . 0 0 "[ . 1 ]" 1
22 1 7 ALA H 1 8 LEU QB 0.000 . 5.000 4.503 4.143 4.888 . 0 0 "[ . 1 ]" 1
23 1 8 LEU HA 1 11 GLU QB 0.000 . 4.300 2.769 2.336 3.018 . 0 0 "[ . 1 ]" 1
24 1 8 LEU HA 1 11 GLU H 0.000 . 3.500 3.756 3.387 4.207 0.707 9 2 "[ . +1 - ]" 1
25 1 8 LEU HA 1 25 GLU HA 0.000 . 5.000 11.620 11.085 12.254 7.254 4 14 [***+*-********] 1
26 1 8 LEU HA 1 25 GLU QB 0.000 . 3.700 11.570 11.218 12.123 8.423 3 14 [**+*****-*****] 1
27 1 8 LEU HA 1 25 GLU QG 0.000 . 4.300 11.838 9.688 13.020 8.720 4 14 [***+*-********] 1
28 1 8 LEU HA 1 9 SER H 0.000 . 3.500 3.486 3.423 3.534 0.034 11 0 "[ . 1 ]" 1
29 1 8 LEU QB 1 10 LYS H 0.000 . 5.000 5.052 4.832 5.288 0.288 9 0 "[ . 1 ]" 1
30 1 8 LEU QB 1 11 GLU QB 0.000 . 7.500 4.414 4.107 4.795 . 0 0 "[ . 1 ]" 1
31 1 8 LEU QB 1 25 GLU QB 0.000 . 5.200 10.693 9.994 11.204 6.004 10 14 [*********+**-*] 1
32 1 8 LEU QB 1 25 GLU QG 0.000 . 5.200 10.694 8.741 11.821 6.621 4 14 [***+********-*] 1
33 1 8 LEU QB 1 9 SER H 0.000 . 4.400 2.748 2.556 2.992 . 0 0 "[ . 1 ]" 1
34 1 8 LEU H 1 10 LYS H 0.000 . 5.000 4.651 4.364 4.986 . 0 0 "[ . 1 ]" 1
35 1 8 LEU H 1 25 GLU QB 0.000 . 4.500 9.726 9.223 10.244 5.744 10 14 [-********+****] 1
36 1 8 LEU H 1 25 GLU QG 0.000 . 6.000 9.781 7.848 11.035 5.035 4 14 [***+*-********] 1
37 1 9 SER HA 1 10 LYS H 0.000 . 5.000 3.569 3.545 3.587 . 0 0 "[ . 1 ]" 1
38 1 9 SER HA 1 12 ILE HB 0.000 . 3.700 2.669 2.525 2.742 . 0 0 "[ . 1 ]" 1
39 1 9 SER HA 1 12 ILE H 0.000 . 5.000 3.793 3.567 4.003 . 0 0 "[ . 1 ]" 1
40 1 9 SER QB 1 10 LYS H 0.000 . 4.500 2.423 1.914 3.296 . 0 0 "[ . 1 ]" 1
41 1 9 SER HG 1 10 LYS H 0.000 . 5.000 3.621 1.215 4.755 . 0 0 "[ . 1 ]" 1
42 1 9 SER H 1 10 LYS H 0.000 . 3.500 2.749 2.466 2.942 . 0 0 "[ . 1 ]" 1
43 1 10 LYS QB 1 11 GLU H 0.000 . 4.500 2.272 2.011 2.511 . 0 0 "[ . 1 ]" 1
44 1 10 LYS H 1 11 GLU H 0.000 . 3.500 2.857 2.693 3.061 . 0 0 "[ . 1 ]" 1
45 1 11 GLU HA 1 12 ILE HA 0.000 . 5.000 4.817 4.733 4.866 . 0 0 "[ . 1 ]" 1
46 1 11 GLU HA 1 12 ILE H 0.000 . 5.000 3.567 3.539 3.580 . 0 0 "[ . 1 ]" 1
47 1 11 GLU QB 1 12 ILE H 0.000 . 4.500 2.187 1.906 2.464 . 0 0 "[ . 1 ]" 1
48 1 11 GLU QG 1 12 ILE H 0.000 . 4.500 3.730 3.147 4.188 . 0 0 "[ . 1 ]" 1
49 1 11 GLU QG 1 21 LYS H 0.000 . 6.000 11.492 9.235 12.797 6.797 13 14 [*********-**+*] 1
50 1 11 GLU QG 1 22 PHE H 0.000 . 7.000 11.851 10.198 13.125 6.125 11 14 [**********+-**] 1
51 1 11 GLU H 1 12 ILE H 0.000 . 3.500 2.863 2.699 3.040 . 0 0 "[ . 1 ]" 1
52 1 12 ILE HA 1 13 LEU H 0.000 . 5.000 3.566 3.554 3.579 . 0 0 "[ . 1 ]" 1
53 1 12 ILE HA 1 15 GLU H 0.000 . 5.000 3.670 3.458 3.832 . 0 0 "[ . 1 ]" 1
54 1 12 ILE HB 1 13 LEU H 0.000 . 4.500 2.302 2.075 2.451 . 0 0 "[ . 1 ]" 1
55 1 12 ILE HB 1 14 GLU H 0.000 . 6.000 4.661 4.311 4.938 . 0 0 "[ . 1 ]" 1
56 1 12 ILE H 1 13 LEU H 0.000 . 3.500 2.906 2.724 3.059 . 0 0 "[ . 1 ]" 1
57 1 13 LEU QD 1 91 MET HA 0.000 . 6.500 7.268 7.070 7.440 0.940 5 14 [****+*****-***] 1
58 1 13 LEU QD 1 91 MET QB 0.000 . 5.800 7.102 6.894 7.300 1.500 6 14 [*-***+********] 1
59 1 14 GLU HA 1 15 GLU H 0.000 . 5.000 3.552 3.498 3.574 . 0 0 "[ . 1 ]" 1
60 1 14 GLU HA 1 17 GLN QB 0.000 . 3.300 6.288 5.920 6.803 3.503 14 14 [********-****+] 1
61 1 14 GLU QB 1 15 GLU H 0.000 . 6.000 2.327 2.059 2.718 . 0 0 "[ . 1 ]" 1
62 1 14 GLU H 1 15 GLU QB 0.000 . 6.000 4.581 4.368 4.981 . 0 0 "[ . 1 ]" 1
63 1 14 GLU H 1 15 GLU H 0.000 . 3.500 2.802 2.642 2.944 . 0 0 "[ . 1 ]" 1
64 1 15 GLU QB 1 16 LEU H 0.000 . 6.000 2.608 2.330 3.304 . 0 0 "[ . 1 ]" 1
65 1 16 LEU HA 1 17 GLN H 0.000 . 3.500 3.252 2.921 3.542 0.042 12 0 "[ . 1 ]" 1
66 1 16 LEU HA 1 18 LEU H 0.000 . 5.000 4.599 3.891 5.116 0.116 12 0 "[ . 1 ]" 1
67 1 16 LEU QB 1 17 GLN H 0.000 . 4.500 3.109 1.672 3.789 . 0 0 "[ . 1 ]" 1
68 1 16 LEU H 1 17 GLN H 0.000 . 5.000 2.946 2.683 3.325 . 0 0 "[ . 1 ]" 1
69 1 17 GLN HA 1 18 LEU H 0.000 . 3.500 3.111 2.733 3.482 . 0 0 "[ . 1 ]" 1
70 1 17 GLN QB 1 18 LEU H 0.000 . 5.000 3.459 2.697 3.898 . 0 0 "[ . 1 ]" 1
71 1 17 GLN H 1 18 LEU H 0.000 . 3.500 2.397 1.638 2.832 . 0 0 "[ . 1 ]" 1
72 1 18 LEU HA 1 19 ASN H 0.000 . 3.500 2.394 2.134 2.908 . 0 0 "[ . 1 ]" 1
73 1 18 LEU QB 1 19 ASN H 0.000 . 7.000 3.161 1.709 4.020 . 0 0 "[ . 1 ]" 1
74 1 18 LEU H 1 19 ASN H 0.000 . 3.500 4.127 2.606 4.595 1.095 8 10 "[ * **-+ *****]" 1
75 1 19 ASN HA 1 20 THR H 0.000 . 2.900 2.268 2.128 2.448 . 0 0 "[ . 1 ]" 1
76 1 19 ASN HA 1 57 PRO HA 0.000 . 6.000 10.926 9.820 11.837 5.837 2 14 [*+**********-*] 1
77 1 19 ASN HA 1 57 PRO QD 0.000 . 5.300 6.740 5.769 7.576 2.276 2 13 "[*+**-******* *]" 1
78 1 19 ASN QD 1 20 THR H 0.000 . 5.900 4.761 3.384 5.591 . 0 0 "[ . 1 ]" 1
79 1 19 ASN QD 1 57 PRO QD 0.000 . 8.500 5.957 3.846 8.160 . 0 0 "[ . 1 ]" 1
80 1 19 ASN QD 1 60 ASP QB 0.000 . 5.700 11.310 8.301 14.252 8.552 10 14 [*********+**-*] 1
81 1 20 THR HA 1 21 LYS QG 0.000 . 6.500 4.927 3.124 5.994 . 0 0 "[ . 1 ]" 1
82 1 20 THR HA 1 21 LYS H 0.000 . 6.000 2.613 2.114 3.495 . 0 0 "[ . 1 ]" 1
83 1 20 THR H 1 21 LYS QG 0.000 . 6.500 5.540 3.315 6.633 0.133 13 0 "[ . 1 ]" 1
84 1 21 LYS HA 1 22 PHE H 0.000 . 5.000 3.433 3.263 3.568 . 0 0 "[ . 1 ]" 1
85 1 21 LYS QG 1 23 THR H 0.000 . 6.500 5.775 3.938 7.064 0.564 3 2 "[ + . 1 - ]" 1
86 1 21 LYS QG 1 24 GLU HA 0.000 . 6.500 9.717 8.860 10.794 4.294 12 14 [****-******+**] 1
87 1 22 PHE HA 1 23 THR H 0.000 . 5.000 2.159 2.122 2.230 . 0 0 "[ . 1 ]" 1
88 1 22 PHE QB 1 23 THR H 0.000 . 6.000 3.398 2.927 3.710 . 0 0 "[ . 1 ]" 1
89 1 22 PHE H 1 23 THR H 0.000 . 5.000 4.459 4.220 4.651 . 0 0 "[ . 1 ]" 1
90 1 23 THR HA 1 27 LEU HG 0.000 . 4.300 5.482 5.090 6.087 1.787 7 14 [*-****+*******] 1
91 1 24 GLU HA 1 25 GLU H 0.000 . 5.000 3.506 3.384 3.558 . 0 0 "[ . 1 ]" 1
92 1 24 GLU QG 1 25 GLU HA 0.000 . 6.500 3.847 3.048 5.607 . 0 0 "[ . 1 ]" 1
93 1 24 GLU QG 1 25 GLU H 0.000 . 7.500 2.257 1.672 3.622 . 0 0 "[ . 1 ]" 1
94 1 24 GLU QG 1 26 GLU HA 0.000 . 6.500 6.811 6.571 7.452 0.952 13 3 "[ * . 1 +-]" 1
95 1 24 GLU QG 1 26 GLU QB 0.000 . 5.800 5.658 5.226 6.294 0.494 4 0 "[ . 1 ]" 1
96 1 24 GLU QG 1 26 GLU QG 0.000 . 7.500 6.755 5.451 7.612 0.112 12 0 "[ . 1 ]" 1
97 1 24 GLU QG 1 26 GLU H 0.000 . 6.500 4.440 4.000 5.418 . 0 0 "[ . 1 ]" 1
98 1 24 GLU QG 1 27 LEU HG 0.000 . 7.500 6.537 5.751 6.915 . 0 0 "[ . 1 ]" 1
99 1 24 GLU QG 1 27 LEU H 0.000 . 6.500 5.357 4.863 5.913 . 0 0 "[ . 1 ]" 1
100 1 24 GLU QG 1 28 SER H 0.000 . 6.500 5.414 3.664 6.254 . 0 0 "[ . 1 ]" 1
101 1 24 GLU H 1 27 LEU HG 0.000 . 4.500 5.771 5.478 6.148 1.648 9 14 [********+****-] 1
102 1 24 GLU H 1 27 LEU H 0.000 . 5.000 4.963 4.838 5.236 0.236 7 0 "[ . 1 ]" 1
103 1 25 GLU HA 1 26 GLU H 0.000 . 3.500 3.516 3.453 3.575 0.075 4 0 "[ . 1 ]" 1
104 1 25 GLU HA 1 28 SER QB 0.000 . 4.300 2.563 2.356 2.776 . 0 0 "[ . 1 ]" 1
105 1 25 GLU HA 1 28 SER H 0.000 . 3.500 3.478 3.284 3.540 0.040 4 0 "[ . 1 ]" 1
106 1 25 GLU QB 1 26 GLU H 0.000 . 4.500 2.620 2.081 2.888 . 0 0 "[ . 1 ]" 1
107 1 25 GLU QG 1 26 GLU H 0.000 . 4.500 3.970 3.166 4.493 . 0 0 "[ . 1 ]" 1
108 1 25 GLU H 1 26 GLU H 0.000 . 6.000 2.583 2.364 3.070 . 0 0 "[ . 1 ]" 1
109 1 26 GLU HA 1 29 SER H 0.000 . 3.500 3.558 3.519 3.603 0.103 6 0 "[ . 1 ]" 1
110 1 26 GLU QB 1 29 SER QB 0.000 . 7.000 5.066 4.493 5.652 . 0 0 "[ . 1 ]" 1
111 1 26 GLU QG 1 29 SER QB 0.000 . 5.300 5.046 3.954 5.956 0.656 5 2 "[ -+ 1 ]" 1
112 1 26 GLU H 1 27 LEU H 0.000 . 3.500 2.699 2.577 2.874 . 0 0 "[ . 1 ]" 1
113 1 27 LEU HA 1 30 TRP H 0.000 . 3.500 3.299 3.177 3.505 0.005 13 0 "[ . 1 ]" 1
114 1 27 LEU HB3 1 28 SER H 0.000 . 3.500 3.549 3.298 3.760 0.260 7 0 "[ . 1 ]" 1
115 1 27 LEU HB3 1 30 TRP H 0.000 . 6.000 5.291 5.128 5.526 . 0 0 "[ . 1 ]" 1
116 1 27 LEU HB2 1 28 SER H 0.000 . 5.000 2.620 2.465 2.927 . 0 0 "[ . 1 ]" 1
117 1 27 LEU HB2 1 30 TRP H 0.000 . 6.000 5.542 5.415 5.695 . 0 0 "[ . 1 ]" 1
118 1 27 LEU HG 1 28 SER H 0.000 . 4.500 4.368 4.204 4.604 0.104 9 0 "[ . 1 ]" 1
119 1 27 LEU H 1 28 SER H 0.000 . 3.500 2.637 2.461 2.789 . 0 0 "[ . 1 ]" 1
120 1 28 SER HA 1 29 SER HA 0.000 . 5.000 4.723 4.661 4.779 . 0 0 "[ . 1 ]" 1
121 1 28 SER HA 1 29 SER H 0.000 . 3.500 3.551 3.529 3.564 0.064 5 0 "[ . 1 ]" 1
122 1 28 SER HA 1 31 TYR QB 0.000 . 5.000 2.677 2.422 2.989 . 0 0 "[ . 1 ]" 1
123 1 28 SER HA 1 31 TYR QD 0.000 . 6.000 4.253 3.798 4.570 . 0 0 "[ . 1 ]" 1
124 1 28 SER HA 1 31 TYR H 0.000 . 3.500 3.745 3.527 3.987 0.487 5 0 "[ . 1 ]" 1
125 1 28 SER HA 1 56 PHE QE 0.000 . 8.000 11.674 11.275 12.011 4.011 4 14 [***+*-********] 1
126 1 28 SER HA 1 56 PHE HZ 0.000 . 6.000 11.922 11.426 12.424 6.424 4 14 [***+*-********] 1
127 1 28 SER QB 1 29 SER HA 0.000 . 4.300 4.132 3.810 4.527 0.227 4 0 "[ . 1 ]" 1
128 1 28 SER QB 1 29 SER H 0.000 . 4.500 2.582 2.285 3.227 . 0 0 "[ . 1 ]" 1
129 1 28 SER QB 1 30 TRP H 0.000 . 6.000 4.760 4.474 5.177 . 0 0 "[ . 1 ]" 1
130 1 28 SER H 1 29 SER H 0.000 . 3.500 2.781 2.624 2.899 . 0 0 "[ . 1 ]" 1
131 1 29 SER HA 1 30 TRP H 0.000 . 5.000 3.544 3.489 3.571 . 0 0 "[ . 1 ]" 1
132 1 29 SER HA 1 32 GLN QB 0.000 . 3.700 3.168 2.844 3.452 . 0 0 "[ . 1 ]" 1
133 1 29 SER HA 1 32 GLN H 0.000 . 6.000 3.764 3.415 4.260 . 0 0 "[ . 1 ]" 1
134 1 29 SER QB 1 30 TRP HA 0.000 . 6.000 4.102 3.772 4.476 . 0 0 "[ . 1 ]" 1
135 1 29 SER QB 1 30 TRP H 0.000 . 3.900 2.782 2.196 3.515 . 0 0 "[ . 1 ]" 1
136 1 29 SER QB 1 31 TYR H 0.000 . 6.000 4.820 4.448 5.408 . 0 0 "[ . 1 ]" 1
137 1 29 SER H 1 30 TRP H 0.000 . 3.500 2.583 2.383 2.794 . 0 0 "[ . 1 ]" 1
138 1 30 TRP HA 1 31 TYR H 0.000 . 5.000 3.514 3.467 3.541 . 0 0 "[ . 1 ]" 1
139 1 30 TRP HA 1 33 SER QB 0.000 . 3.700 2.508 2.187 2.787 . 0 0 "[ . 1 ]" 1
140 1 30 TRP HA 1 33 SER H 0.000 . 5.000 3.419 3.191 3.738 . 0 0 "[ . 1 ]" 1
141 1 30 TRP QB 1 31 TYR H 0.000 . 6.000 2.482 2.090 2.680 . 0 0 "[ . 1 ]" 1
142 1 30 TRP H 1 31 TYR H 0.000 . 3.500 2.583 2.273 2.775 . 0 0 "[ . 1 ]" 1
143 1 31 TYR HA 1 32 GLN H 0.000 . 3.500 3.550 3.519 3.569 0.069 8 0 "[ . 1 ]" 1
144 1 31 TYR HA 1 33 SER H 0.000 . 5.000 4.252 4.031 4.542 . 0 0 "[ . 1 ]" 1
145 1 31 TYR HA 1 34 PHE QB 0.000 . 4.300 2.631 2.473 2.782 . 0 0 "[ . 1 ]" 1
146 1 31 TYR QB 1 32 GLN H 0.000 . 2.900 2.274 1.787 2.574 . 0 0 "[ . 1 ]" 1
147 1 31 TYR QB 1 56 PHE HZ 0.000 . 6.000 9.158 8.759 9.598 3.598 10 14 [******-**+****] 1
148 1 31 TYR QD 1 34 PHE QB 0.000 . 7.000 4.356 4.114 4.649 . 0 0 "[ . 1 ]" 1
149 1 31 TYR QD 1 56 PHE QE 0.000 . 8.000 8.516 8.186 8.837 0.837 8 8 "[* -*. +*** * ]" 1
150 1 31 TYR QD 1 56 PHE HZ 0.000 . 5.000 8.533 8.133 8.831 3.831 8 14 [*-*****+******] 1
151 1 31 TYR H 1 32 GLN QB 0.000 . 6.000 4.570 4.357 4.759 . 0 0 "[ . 1 ]" 1
152 1 31 TYR H 1 32 GLN H 0.000 . 3.500 2.825 2.517 3.234 . 0 0 "[ . 1 ]" 1
153 1 32 GLN HA 1 33 SER H 0.000 . 5.000 3.485 3.429 3.528 . 0 0 "[ . 1 ]" 1
154 1 32 GLN HA 1 35 LEU HB3 0.000 . 5.000 4.241 3.942 4.590 . 0 0 "[ . 1 ]" 1
155 1 32 GLN HA 1 35 LEU HB2 0.000 . 5.000 2.753 2.481 2.997 . 0 0 "[ . 1 ]" 1
156 1 32 GLN HA 1 35 LEU QD 0.000 . 5.300 2.937 2.471 3.227 . 0 0 "[ . 1 ]" 1
157 1 32 GLN HA 1 35 LEU H 0.000 . 3.500 3.595 3.454 3.690 0.190 13 0 "[ . 1 ]" 1
158 1 32 GLN QB 1 33 SER H 0.000 . 3.900 2.857 2.628 3.514 . 0 0 "[ . 1 ]" 1
159 1 32 GLN QE 1 33 SER HA 0.000 . 7.000 6.327 3.611 7.692 0.692 2 2 "[ + . 1- ]" 1
160 1 32 GLN QE 1 33 SER HG 0.000 . 9.000 7.032 3.870 9.316 0.316 3 0 "[ . 1 ]" 1
161 1 32 GLN QE 1 36 LYS QD 0.000 . 6.200 6.440 2.184 8.491 2.291 11 9 "[*** . - *+***]" 1
162 1 32 GLN QE 1 83 LYS QD 0.000 . 6.700 7.778 4.611 10.003 3.303 9 10 "[ ***. *+*-***]" 1
163 1 32 GLN QE 1 83 LYS QE 0.000 . 6.700 7.559 4.843 9.461 2.761 8 9 "[ ***. +*- ***]" 1
164 1 32 GLN QE 1 84 GLN HA 0.000 . 5.300 13.661 10.956 16.367 11.067 9 14 [******-*+*****] 1
165 1 32 GLN QE 1 87 ILE HB 0.000 . 5.300 14.252 11.474 16.992 11.692 9 14 [******-*+*****] 1
166 1 32 GLN QE 1 87 ILE QG 0.000 . 6.200 11.337 8.869 14.247 8.047 9 14 [******-*+*****] 1
167 1 32 GLN QE 1 87 ILE MG 0.000 . 6.200 12.941 10.732 15.642 9.442 9 14 [******-*+*****] 1
168 1 32 GLN H 1 33 SER QB 0.000 . 6.000 4.592 4.186 5.006 . 0 0 "[ . 1 ]" 1
169 1 33 SER HA 1 34 PHE H 0.000 . 3.500 3.382 3.359 3.414 . 0 0 "[ . 1 ]" 1
170 1 33 SER HA 1 36 LYS HB2 0.000 . 3.300 2.752 2.170 3.482 0.182 5 0 "[ . 1 ]" 1
171 1 33 SER HA 1 36 LYS QD 0.000 . 4.200 3.948 2.600 4.986 0.786 13 2 "[ . 1 -+ ]" 1
172 1 33 SER HA 1 36 LYS H 0.000 . 3.500 3.122 2.961 3.297 . 0 0 "[ . 1 ]" 1
173 1 33 SER HA 1 37 GLU H 0.000 . 5.000 3.757 3.629 3.866 . 0 0 "[ . 1 ]" 1
174 1 33 SER QB 1 34 PHE H 0.000 . 3.900 3.245 3.151 3.310 . 0 0 "[ . 1 ]" 1
175 1 33 SER HG 1 34 PHE H 0.000 . 6.000 4.774 4.163 5.417 . 0 0 "[ . 1 ]" 1
176 1 33 SER H 1 34 PHE H 0.000 . 2.900 2.462 2.346 2.617 . 0 0 "[ . 1 ]" 1
177 1 33 SER H 1 36 LYS QD 0.000 . 7.500 6.208 4.493 7.130 . 0 0 "[ . 1 ]" 1
178 1 34 PHE HA 1 35 LEU H 0.000 . 3.500 3.378 3.333 3.412 . 0 0 "[ . 1 ]" 1
179 1 34 PHE HA 1 37 GLU QB 0.000 . 3.700 2.938 2.872 3.029 . 0 0 "[ . 1 ]" 1
180 1 34 PHE HA 1 37 GLU QG 0.000 . 6.000 4.281 3.683 4.872 . 0 0 "[ . 1 ]" 1
181 1 34 PHE HA 1 37 GLU H 0.000 . 3.500 3.569 3.493 3.656 0.156 11 0 "[ . 1 ]" 1
182 1 34 PHE QB 1 35 LEU H 0.000 . 4.500 2.545 2.442 2.674 . 0 0 "[ . 1 ]" 1
183 1 34 PHE H 1 35 LEU HB2 0.000 . 5.000 3.690 3.586 3.899 . 0 0 "[ . 1 ]" 1
184 1 34 PHE H 1 35 LEU H 0.000 . 2.900 1.881 1.799 1.951 . 0 0 "[ . 1 ]" 1
185 1 34 PHE H 1 36 LYS H 0.000 . 6.000 3.267 3.146 3.362 . 0 0 "[ . 1 ]" 1
186 1 35 LEU HA 1 36 LYS H 0.000 . 3.500 3.472 3.431 3.502 0.002 12 0 "[ . 1 ]" 1
187 1 35 LEU HA 1 38 CYS QB 0.000 . 3.300 2.990 2.417 3.647 0.347 9 0 "[ . 1 ]" 1
188 1 35 LEU HA 1 38 CYS HG 0.000 . 6.000 4.078 1.721 5.931 . 0 0 "[ . 1 ]" 1
189 1 35 LEU HA 1 38 CYS H 0.000 . 5.000 3.470 3.358 3.556 . 0 0 "[ . 1 ]" 1
190 1 35 LEU HB3 1 36 LYS H 0.000 . 3.500 3.634 3.508 3.708 0.208 4 0 "[ . 1 ]" 1
191 1 35 LEU HB2 1 36 LYS H 0.000 . 3.500 2.904 2.702 2.990 . 0 0 "[ . 1 ]" 1
192 1 35 LEU QD 1 36 LYS HA 0.000 . 4.700 5.183 5.135 5.220 0.520 11 4 "[* *- 1+ ]" 1
193 1 35 LEU QD 1 36 LYS H 0.000 . 5.500 3.697 3.565 3.823 . 0 0 "[ . 1 ]" 1
194 1 35 LEU QD 1 52 TYR QD 0.000 . 8.500 9.722 9.064 10.330 1.830 4 14 [*-*+**********] 1
195 1 35 LEU QD 1 83 LYS QD 0.000 . 7.300 3.036 2.116 3.707 . 0 0 "[ . 1 ]" 1
196 1 35 LEU H 1 36 LYS HB2 0.000 . 6.000 4.528 4.138 5.037 . 0 0 "[ . 1 ]" 1
197 1 35 LEU H 1 36 LYS QD 0.000 . 7.400 6.264 5.305 6.563 . 0 0 "[ . 1 ]" 1
198 1 35 LEU H 1 36 LYS H 0.000 . 2.900 2.327 2.203 2.415 . 0 0 "[ . 1 ]" 1
199 1 35 LEU H 1 37 GLU H 0.000 . 5.000 4.040 3.915 4.184 . 0 0 "[ . 1 ]" 1
200 1 36 LYS HA 1 37 GLU H 0.000 . 3.500 3.538 3.517 3.561 0.061 8 0 "[ . 1 ]" 1
201 1 36 LYS HA 1 38 CYS H 0.000 . 5.000 4.396 4.175 4.642 . 0 0 "[ . 1 ]" 1
202 1 36 LYS HA 1 39 PRO QB 0.000 . 6.000 7.642 6.526 8.426 2.426 3 14 [**+******-****] 1
203 1 36 LYS HB3 1 37 GLU H 0.000 . 5.000 2.693 2.279 3.252 . 0 0 "[ . 1 ]" 1
204 1 36 LYS HB2 1 37 GLU H 0.000 . 3.500 3.449 2.503 3.934 0.434 3 0 "[ . 1 ]" 1
205 1 36 LYS QD 1 37 GLU H 0.000 . 5.900 4.554 3.132 5.042 . 0 0 "[ . 1 ]" 1
206 1 36 LYS QD 1 38 CYS H 0.000 . 8.400 6.286 5.197 6.957 . 0 0 "[ . 1 ]" 1
207 1 36 LYS QD 1 84 GLN H 0.000 . 7.400 14.669 13.109 15.895 8.495 14 14 [************-+] 1
208 1 36 LYS QD 1 83 LYS QD 0.000 . 6.800 9.637 8.132 11.510 4.710 10 14 [*-*******+****] 1
209 1 36 LYS QD 1 83 LYS QE 0.000 . 6.800 9.183 6.790 11.213 4.413 14 13 "[********-*** +]" 1
210 1 36 LYS QD 1 84 GLN HA 0.000 . 6.500 16.619 15.111 17.934 11.434 10 14 [*********+**-*] 1
211 1 36 LYS QD 1 84 GLN QG 0.000 . 5.200 15.156 12.969 17.600 12.400 14 14 [********-****+] 1
212 1 36 LYS QD 1 42 ARG HA 0.000 . 5.800 13.553 12.086 14.926 9.126 14 14 [-************+] 1
213 1 36 LYS QD 1 42 ARG H 0.000 . 6.500 11.192 9.559 12.597 6.097 14 14 [-************+] 1
214 1 36 LYS H 1 37 GLU H 0.000 . 3.500 2.476 2.347 2.707 . 0 0 "[ . 1 ]" 1
215 1 37 GLU HA 1 38 CYS H 0.000 . 3.500 3.528 3.506 3.548 0.048 11 0 "[ . 1 ]" 1
216 1 37 GLU QB 1 38 CYS H 0.000 . 3.900 2.648 2.481 2.784 . 0 0 "[ . 1 ]" 1
217 1 37 GLU QG 1 38 CYS H 0.000 . 6.000 4.296 4.170 4.383 . 0 0 "[ . 1 ]" 1
218 1 37 GLU H 1 38 CYS H 0.000 . 2.900 2.596 2.453 2.739 . 0 0 "[ . 1 ]" 1
219 1 39 PRO HA 1 40 SER HG 0.000 . 6.000 6.018 4.115 7.349 1.349 11 6 "[ ** . -*1+ *]" 1
220 1 39 PRO QB 1 42 ARG H 0.000 . 6.000 4.288 3.686 4.777 . 0 0 "[ . 1 ]" 1
221 1 39 PRO QB 1 44 THR MG 0.000 . 5.200 7.880 6.027 8.769 3.569 9 14 [**-*****+*****] 1
222 1 40 SER HG 1 43 ILE HB 0.000 . 7.000 11.788 10.388 12.820 5.820 13 14 [************+-] 1
223 1 42 ARG HA 1 43 ILE H 0.000 . 4.500 2.154 2.123 2.200 . 0 0 "[ . 1 ]" 1
224 1 42 ARG H 1 43 ILE HB 0.000 . 7.000 6.727 6.083 6.889 . 0 0 "[ . 1 ]" 1
225 1 42 ARG H 1 43 ILE H 0.000 . 3.500 4.416 4.131 4.588 1.088 13 14 [*********-**+*] 1
226 1 43 ILE HA 1 44 THR HA 0.000 . 6.000 4.422 4.372 4.452 . 0 0 "[ . 1 ]" 1
227 1 43 ILE HA 1 44 THR MG 0.000 . 6.500 3.184 3.048 3.373 . 0 0 "[ . 1 ]" 1
228 1 43 ILE HA 1 44 THR H 0.000 . 2.900 2.377 2.263 2.441 . 0 0 "[ . 1 ]" 1
229 1 43 ILE HA 1 82 PHE HA 0.000 . 2.700 7.293 6.743 7.569 4.869 2 14 [*+*******-****] 1
230 1 43 ILE HA 1 82 PHE QB 0.000 . 6.000 5.469 5.189 5.676 . 0 0 "[ . 1 ]" 1
231 1 43 ILE HA 1 83 LYS H 0.000 . 5.000 8.938 8.705 9.167 4.167 9 14 [***-****+*****] 1
232 1 43 ILE HB 1 44 THR H 0.000 . 4.500 2.478 2.322 3.040 . 0 0 "[ . 1 ]" 1
233 1 43 ILE HB 1 45 ARG H 0.000 . 7.000 6.224 6.092 7.070 0.070 1 0 "[ . 1 ]" 1
234 1 43 ILE HB 1 80 LEU HA 0.000 . 7.000 8.169 7.958 8.646 1.646 1 14 [+********-****] 1
235 1 43 ILE HB 1 82 PHE HA 0.000 . 6.000 6.267 5.586 6.659 0.659 2 3 "[*+ .- 1 ]" 1
236 1 43 ILE QG 1 44 THR H 0.000 . 4.500 3.088 2.395 3.311 . 0 0 "[ . 1 ]" 1
237 1 43 ILE QG 1 82 PHE HA 0.000 . 4.300 3.473 3.116 3.750 . 0 0 "[ . 1 ]" 1
238 1 43 ILE QG 1 83 LYS H 0.000 . 6.000 5.034 4.789 5.229 . 0 0 "[ . 1 ]" 1
239 1 43 ILE H 1 44 THR H 0.000 . 5.000 4.485 4.417 4.566 . 0 0 "[ . 1 ]" 1
240 1 44 THR HA 1 45 ARG QG 0.000 . 4.200 4.306 3.562 5.814 1.614 7 4 "[* -. + *1 ]" 1
241 1 44 THR HA 1 45 ARG H 0.000 . 2.900 2.444 2.421 2.462 . 0 0 "[ . 1 ]" 1
242 1 44 THR HA 1 52 TYR QD 0.000 . 7.500 11.119 10.176 11.924 4.424 13 14 [***********-+*] 1
243 1 44 THR HB 1 45 ARG H 0.000 . 2.900 2.340 2.318 2.370 . 0 0 "[ . 1 ]" 1
244 1 44 THR HG1 1 49 GLN HA 0.000 . 6.000 9.296 8.320 10.164 4.164 1 14 [+-************] 1
245 1 44 THR MG 1 45 ARG H 0.000 . 5.000 3.768 3.705 3.838 . 0 0 "[ . 1 ]" 1
246 1 44 THR MG 1 49 GLN HA 0.000 . 6.500 9.544 9.234 9.718 3.218 1 14 [+**********-**] 1
247 1 44 THR MG 1 52 TYR QD 0.000 . 6.300 11.021 10.279 11.629 5.329 13 14 [***********-+*] 1
248 1 44 THR MG 1 82 PHE HA 0.000 . 6.500 8.711 8.303 8.969 2.469 2 14 [*+*******-****] 1
249 1 44 THR MG 1 83 LYS HA 0.000 . 6.500 12.363 12.126 12.575 6.075 2 14 [*+*******-****] 1
250 1 44 THR MG 1 83 LYS QB 0.000 . 4.800 11.399 11.122 11.737 6.937 2 14 [*+*******-****] 1
251 1 44 THR MG 1 83 LYS QD 0.000 . 6.200 11.440 10.470 12.356 6.156 10 14 [***-*****+****] 1
252 1 44 THR MG 1 83 LYS QE 0.000 . 8.500 11.640 10.128 12.895 4.395 9 14 [********+*-***] 1
253 1 44 THR H 1 81 ASP H 0.000 . 5.000 9.264 9.053 9.442 4.442 2 14 [*+*******-****] 1
254 1 44 THR H 1 82 PHE HA 0.000 . 5.000 8.216 7.654 8.532 3.532 2 14 [*+*******-****] 1
255 1 45 ARG HA 1 46 GLN H 0.000 . 2.900 3.559 3.515 3.583 0.683 8 14 [***-***+******] 1
256 1 45 ARG HA 1 70 ARG HE 0.000 . 7.000 9.734 7.144 11.994 4.994 14 12 "[****.**- ****+]" 1
257 1 45 ARG HA 1 80 LEU HA 0.000 . 2.700 9.460 8.993 9.700 7.000 9 14 [***-****+*****] 1
258 1 45 ARG QG 1 46 GLN H 0.000 . 4.400 2.848 1.596 4.222 . 0 0 "[ . 1 ]" 1
259 1 45 ARG QG 1 47 GLU H 0.000 . 6.500 4.623 3.822 5.490 . 0 0 "[ . 1 ]" 1
260 1 45 ARG QG 1 48 PHE QB 0.000 . 5.800 4.597 3.187 5.435 . 0 0 "[ . 1 ]" 1
261 1 45 ARG QG 1 48 PHE H 0.000 . 6.500 5.206 4.616 5.685 . 0 0 "[ . 1 ]" 1
262 1 45 ARG QG 1 80 LEU HA 0.000 . 4.200 9.182 7.923 10.227 6.027 4 14 [***+-*********] 1
263 1 45 ARG H 1 48 PHE QB 0.000 . 4.500 4.643 4.275 4.948 0.448 10 0 "[ . 1 ]" 1
264 1 45 ARG H 1 48 PHE H 0.000 . 5.000 4.697 4.426 4.958 . 0 0 "[ . 1 ]" 1
265 1 46 GLN HA 1 47 GLU H 0.000 . 5.000 3.504 3.456 3.572 . 0 0 "[ . 1 ]" 1
266 1 46 GLN HA 1 70 ARG HE 0.000 . 4.700 12.741 9.508 14.946 10.246 14 14 [********-****+] 1
267 1 46 GLN QB 1 47 GLU H 0.000 . 7.000 2.807 2.396 3.416 . 0 0 "[ . 1 ]" 1
268 1 46 GLN H 1 48 PHE QB 0.000 . 6.000 5.128 4.841 5.325 . 0 0 "[ . 1 ]" 1
269 1 46 GLN H 1 48 PHE H 0.000 . 5.000 4.564 4.182 4.949 . 0 0 "[ . 1 ]" 1
270 1 47 GLU HA 1 50 THR H 0.000 . 5.000 3.455 2.948 3.582 . 0 0 "[ . 1 ]" 1
271 1 47 GLU H 1 48 PHE H 0.000 . 3.500 2.580 2.348 2.971 . 0 0 "[ . 1 ]" 1
272 1 48 PHE HA 1 49 GLN H 0.000 . 5.000 3.546 3.487 3.561 . 0 0 "[ . 1 ]" 1
273 1 48 PHE HA 1 50 THR H 0.000 . 5.000 4.284 3.953 4.629 . 0 0 "[ . 1 ]" 1
274 1 48 PHE HA 1 51 ILE HB 0.000 . 2.700 3.156 2.731 3.565 0.865 12 6 "[ **-* *1 + ]" 1
275 1 48 PHE HA 1 51 ILE MG 0.000 . 4.800 4.545 4.228 4.934 0.134 12 0 "[ . 1 ]" 1
276 1 48 PHE HA 1 51 ILE H 0.000 . 3.500 3.577 3.212 3.944 0.444 6 0 "[ . 1 ]" 1
277 1 48 PHE QB 1 49 GLN H 0.000 . 4.500 2.439 2.200 2.725 . 0 0 "[ . 1 ]" 1
278 1 48 PHE H 1 49 GLN H 0.000 . 3.500 2.835 2.653 2.988 . 0 0 "[ . 1 ]" 1
279 1 49 GLN HA 1 52 TYR QD 0.000 . 4.800 3.770 3.002 4.754 . 0 0 "[ . 1 ]" 1
280 1 49 GLN HB3 1 50 THR H 0.000 . 5.000 2.826 2.284 3.845 . 0 0 "[ . 1 ]" 1
281 1 49 GLN HB2 1 50 THR H 0.000 . 6.000 3.694 2.340 4.178 . 0 0 "[ . 1 ]" 1
282 1 49 GLN QE 1 66 GLN HA 0.000 . 8.000 6.948 4.499 8.945 0.945 3 3 "[ + .- 1 * ]" 1
283 1 49 GLN QE 1 66 GLN QB 0.000 . 9.500 5.825 3.500 7.783 . 0 0 "[ . 1 ]" 1
284 1 49 GLN QE 1 70 ARG HA 0.000 . 8.000 10.052 7.359 12.361 4.361 12 13 "[****** ***-+**]" 1
285 1 49 GLN QE 1 83 LYS QD 0.000 . 9.000 17.212 15.999 18.567 9.567 10 14 [*********+-***] 1
286 1 49 GLN QE 1 83 LYS QE 0.000 . 7.300 17.539 15.041 18.907 11.607 4 14 [***+*******-**] 1
287 1 49 GLN QE 1 90 HIS HD2 0.000 . 9.500 18.956 17.493 20.073 10.573 11 14 [******-***+***] 1
288 1 49 GLN H 1 50 THR H 0.000 . 3.500 2.784 2.495 2.992 . 0 0 "[ . 1 ]" 1
289 1 49 GLN H 1 51 ILE H 0.000 . 5.000 4.530 4.286 4.879 . 0 0 "[ . 1 ]" 1
290 1 50 THR HA 1 53 SER HB3 0.000 . 5.000 3.857 2.879 4.824 . 0 0 "[ . 1 ]" 1
291 1 50 THR HA 1 53 SER HB2 0.000 . 5.000 3.641 2.765 5.165 0.165 12 0 "[ . 1 ]" 1
292 1 50 THR HA 1 53 SER H 0.000 . 3.500 3.609 3.556 3.728 0.228 13 0 "[ . 1 ]" 1
293 1 50 THR HB 1 51 ILE H 0.000 . 3.900 2.751 2.363 2.973 . 0 0 "[ . 1 ]" 1
294 1 50 THR HG1 1 51 ILE H 0.000 . 6.000 2.478 2.109 3.195 . 0 0 "[ . 1 ]" 1
295 1 50 THR HG1 1 54 LYS QB 0.000 . 7.000 3.303 2.750 3.597 . 0 0 "[ . 1 ]" 1
296 1 50 THR H 1 51 ILE H 0.000 . 3.500 2.812 2.495 3.068 . 0 0 "[ . 1 ]" 1
297 1 51 ILE HA 1 52 TYR H 0.000 . 5.000 3.510 3.444 3.561 . 0 0 "[ . 1 ]" 1
298 1 51 ILE HA 1 54 LYS H 0.000 . 3.500 3.478 3.328 3.555 0.055 9 0 "[ . 1 ]" 1
299 1 51 ILE HB 1 52 TYR HA 0.000 . 5.000 4.172 3.980 4.413 . 0 0 "[ . 1 ]" 1
300 1 51 ILE HB 1 52 TYR H 0.000 . 3.500 2.537 2.225 2.761 . 0 0 "[ . 1 ]" 1
301 1 51 ILE HB 1 53 SER H 0.000 . 6.000 5.087 4.818 5.288 . 0 0 "[ . 1 ]" 1
302 1 51 ILE MG 1 52 TYR HA 0.000 . 4.800 3.575 3.280 3.966 . 0 0 "[ . 1 ]" 1
303 1 51 ILE MG 1 52 TYR QD 0.000 . 6.300 4.979 4.369 5.579 . 0 0 "[ . 1 ]" 1
304 1 51 ILE MG 1 52 TYR H 0.000 . 5.000 3.518 3.301 3.751 . 0 0 "[ . 1 ]" 1
305 1 51 ILE MG 1 55 PHE QE 0.000 . 5.800 3.171 2.547 3.529 . 0 0 "[ . 1 ]" 1
306 1 52 TYR HA 1 53 SER H 0.000 . 5.000 3.547 3.518 3.575 . 0 0 "[ . 1 ]" 1
307 1 52 TYR HA 1 55 PHE QB 0.000 . 4.300 2.835 2.448 3.183 . 0 0 "[ . 1 ]" 1
308 1 52 TYR HA 1 55 PHE QD 0.000 . 6.000 4.748 4.390 5.108 . 0 0 "[ . 1 ]" 1
309 1 52 TYR HA 1 55 PHE H 0.000 . 3.500 3.530 3.270 3.895 0.395 9 0 "[ . 1 ]" 1
310 1 52 TYR HA 1 56 PHE QD 0.000 . 8.000 2.893 2.208 3.423 . 0 0 "[ . 1 ]" 1
311 1 52 TYR HA 1 56 PHE QE 0.000 . 8.000 3.625 2.727 4.364 . 0 0 "[ . 1 ]" 1
312 1 52 TYR QD 1 53 SER H 0.000 . 6.500 3.867 3.497 4.117 . 0 0 "[ . 1 ]" 1
313 1 52 TYR QD 1 54 LYS H 0.000 . 7.500 5.424 4.873 6.200 . 0 0 "[ . 1 ]" 1
314 1 52 TYR QD 1 56 PHE QD 0.000 . 8.500 2.574 2.181 3.495 . 0 0 "[ . 1 ]" 1
315 1 52 TYR QD 1 56 PHE QE 0.000 . 8.500 3.490 2.341 4.949 . 0 0 "[ . 1 ]" 1
316 1 52 TYR QD 1 83 LYS QD 0.000 . 6.800 13.662 12.513 14.369 7.569 1 14 [+-************] 1
317 1 52 TYR QD 1 83 LYS QE 0.000 . 6.800 14.041 13.130 15.182 8.382 4 14 [***+******-***] 1
318 1 52 TYR H 1 53 SER H 0.000 . 3.500 2.733 2.536 3.010 . 0 0 "[ . 1 ]" 1
319 1 53 SER HA 1 54 LYS H 0.000 . 5.000 3.510 3.437 3.578 . 0 0 "[ . 1 ]" 1
320 1 53 SER HA 1 56 PHE H 0.000 . 5.000 3.542 3.239 3.861 . 0 0 "[ . 1 ]" 1
321 1 53 SER HA 1 57 PRO QD 0.000 . 4.700 4.786 4.608 5.011 0.311 11 0 "[ . 1 ]" 1
322 1 53 SER HB3 1 54 LYS H 0.000 . 3.500 3.262 2.234 4.049 0.549 2 2 "[ + - 1 ]" 1
323 1 53 SER HB2 1 54 LYS H 0.000 . 3.500 3.433 2.655 4.100 0.600 6 2 "[- .+ 1 ]" 1
324 1 53 SER H 1 54 LYS H 0.000 . 3.500 2.649 2.532 2.842 . 0 0 "[ . 1 ]" 1
325 1 54 LYS HA 1 55 PHE H 0.000 . 3.500 3.465 3.371 3.546 0.046 7 0 "[ . 1 ]" 1
326 1 54 LYS HA 1 56 PHE H 0.000 . 5.000 4.500 4.064 5.008 0.008 3 0 "[ . 1 ]" 1
327 1 54 LYS HA 1 57 PRO QD 0.000 . 8.000 4.280 3.932 4.943 . 0 0 "[ . 1 ]" 1
328 1 54 LYS HA 1 58 GLU HA 0.000 . 3.300 9.730 9.399 10.381 7.081 9 14 [******-*+*****] 1
329 1 54 LYS HA 1 60 ASP QB 0.000 . 6.500 11.551 10.872 12.127 5.627 1 14 [+*********-***] 1
330 1 54 LYS QB 1 55 PHE H 0.000 . 4.500 2.958 2.554 3.735 . 0 0 "[ . 1 ]" 1
331 1 54 LYS QB 1 58 GLU HA 0.000 . 6.000 10.730 10.446 11.198 5.198 9 14 [********+****-] 1
332 1 54 LYS QB 1 62 LYS QB 0.000 . 7.000 11.763 10.895 12.961 5.961 13 14 [*********-**+*] 1
333 1 54 LYS H 1 55 PHE H 0.000 . 2.900 2.468 2.273 2.780 . 0 0 "[ . 1 ]" 1
334 1 55 PHE QB 1 56 PHE QD 0.000 . 8.000 3.018 2.767 3.259 . 0 0 "[ . 1 ]" 1
335 1 55 PHE QB 1 56 PHE QE 0.000 . 9.000 2.786 2.528 3.123 . 0 0 "[ . 1 ]" 1
336 1 55 PHE QB 1 56 PHE H 0.000 . 4.500 2.796 2.464 3.096 . 0 0 "[ . 1 ]" 1
337 1 55 PHE QD 1 56 PHE QE 0.000 . 8.000 3.593 3.189 3.922 . 0 0 "[ . 1 ]" 1
338 1 55 PHE QD 1 56 PHE HZ 0.000 . 7.000 3.170 2.732 3.630 . 0 0 "[ . 1 ]" 1
339 1 55 PHE QE 1 56 PHE QE 0.000 . 9.000 5.404 5.011 5.707 . 0 0 "[ . 1 ]" 1
340 1 55 PHE QE 1 56 PHE HZ 0.000 . 7.000 5.230 4.700 5.755 . 0 0 "[ . 1 ]" 1
341 1 55 PHE H 1 56 PHE QD 0.000 . 8.000 4.468 3.980 5.009 . 0 0 "[ . 1 ]" 1
342 1 55 PHE H 1 56 PHE H 0.000 . 2.900 2.233 1.964 2.514 . 0 0 "[ . 1 ]" 1
343 1 56 PHE HA 1 57 PRO QD 0.000 . 8.000 2.021 1.967 2.072 . 0 0 "[ . 1 ]" 1
344 1 57 PRO HA 1 58 GLU QB 0.000 . 6.000 5.424 5.196 5.657 . 0 0 "[ . 1 ]" 1
345 1 57 PRO HA 1 60 ASP QB 0.000 . 4.800 7.482 7.015 8.149 3.349 14 14 [*-***********+] 1
346 1 57 PRO QB 1 60 ASP QB 0.000 . 4.200 7.918 7.590 8.308 4.108 4 14 [***+******-***] 1
347 1 57 PRO QD 1 60 ASP QB 0.000 . 6.800 8.726 8.434 9.086 2.286 4 14 [***+****-*****] 1
348 1 57 PRO QD 1 66 GLN QB 0.000 . 8.500 10.129 9.432 11.074 2.574 13 14 [**********-*+*] 1
349 1 58 GLU HA 1 59 ALA H 0.000 . 3.500 3.042 2.222 3.560 0.060 9 0 "[ . 1 ]" 1
350 1 58 GLU QB 1 59 ALA H 0.000 . 4.500 3.138 1.663 3.882 . 0 0 "[ . 1 ]" 1
351 1 59 ALA MB 1 60 ASP H 0.000 . 5.000 3.469 3.148 3.643 . 0 0 "[ . 1 ]" 1
352 1 59 ALA H 1 60 ASP QB 0.000 . 6.500 5.469 3.888 6.262 . 0 0 "[ . 1 ]" 1
353 1 59 ALA H 1 60 ASP H 0.000 . 5.000 3.386 1.457 4.281 . 0 0 "[ . 1 ]" 1
354 1 60 ASP HA 1 132 ILE HA 0.000 . 6.000 9.208 8.645 10.043 4.043 3 14 [*-+***********] 1
355 1 60 ASP HA 1 64 TYR QB 0.000 . 4.800 8.464 7.900 9.387 4.587 13 14 [*-**********+*] 1
356 1 61 PRO HA 1 62 LYS HA 0.000 . 6.000 4.379 4.311 4.475 . 0 0 "[ . 1 ]" 1
357 1 61 PRO HA 1 62 LYS QD 0.000 . 3.700 6.060 4.993 6.818 3.118 11 14 [**********+-**] 1
358 1 61 PRO HA 1 62 LYS QG 0.000 . 4.300 5.288 4.280 6.181 1.881 9 9 "[ -** +*****]" 1
359 1 61 PRO HA 1 63 ALA H 0.000 . 5.000 3.566 3.233 3.996 . 0 0 "[ . 1 ]" 1
360 1 61 PRO HA 1 64 TYR QB 0.000 . 7.500 6.828 6.339 7.775 0.275 13 0 "[ . 1 ]" 1
361 1 61 PRO QB 1 63 ALA H 0.000 . 6.000 5.003 4.564 5.326 . 0 0 "[ . 1 ]" 1
362 1 61 PRO QB 1 64 TYR QB 0.000 . 4.800 8.010 7.596 8.787 3.987 13 14 [-***********+*] 1
363 1 61 PRO QB 1 64 TYR H 0.000 . 6.000 7.624 6.951 8.449 2.449 8 14 [**-****+******] 1
364 1 61 PRO QB 1 62 LYS QD 0.000 . 6.000 4.889 3.652 6.035 0.035 4 0 "[ . 1 ]" 1
365 1 62 LYS HA 1 132 ILE QG 0.000 . 6.000 10.343 10.153 10.594 4.594 8 14 [*******+-*****] 1
366 1 62 LYS QD 1 63 ALA H 0.000 . 6.000 5.474 4.983 5.984 . 0 0 "[ . 1 ]" 1
367 1 63 ALA MB 1 64 TYR H 0.000 . 4.500 1.679 1.491 1.974 . 0 0 "[ . 1 ]" 1
368 1 63 ALA H 1 132 ILE HA 0.000 . 5.000 9.797 9.519 10.982 5.982 13 14 [***-********+*] 1
369 1 63 ALA H 1 64 TYR H 0.000 . 3.500 3.523 3.008 4.346 0.846 13 2 "[ . - 1 + ]" 1
370 1 64 TYR HA 1 65 ALA H 0.000 . 3.500 3.486 3.447 3.524 0.024 7 0 "[ . 1 ]" 1
371 1 64 TYR HA 1 67 HIS QB 0.000 . 6.000 2.769 2.152 3.136 . 0 0 "[ . 1 ]" 1
372 1 64 TYR QB 1 128 ILE HB 0.000 . 6.300 5.074 4.748 5.563 . 0 0 "[ . 1 ]" 1
373 1 64 TYR QB 1 131 MET ME 0.000 . 7.500 2.305 1.939 4.832 . 0 0 "[ . 1 ]" 1
374 1 64 TYR QB 1 65 ALA H 0.000 . 5.000 1.773 1.637 2.451 . 0 0 "[ . 1 ]" 1
375 1 64 TYR QB 1 67 HIS H 0.000 . 6.500 4.812 4.619 5.072 . 0 0 "[ . 1 ]" 1
376 1 64 TYR H 1 128 ILE HB 0.000 . 6.500 6.718 5.793 7.452 0.952 4 5 "[* *+* - ]" 1
377 1 65 ALA HA 1 128 ILE HB 0.000 . 4.800 10.031 9.745 10.819 6.019 13 14 [*****-******+*] 1
378 1 65 ALA HA 1 68 VAL HB 0.000 . 4.300 2.169 2.132 2.211 . 0 0 "[ . 1 ]" 1
379 1 65 ALA MB 1 128 ILE HB 0.000 . 5.800 9.246 8.968 9.659 3.859 13 14 [*******-****+*] 1
380 1 65 ALA MB 1 66 GLN HA 0.000 . 6.000 3.689 3.617 3.816 . 0 0 "[ . 1 ]" 1
381 1 65 ALA H 1 128 ILE HB 0.000 . 6.500 8.406 8.071 9.050 2.550 13 14 [*******-****+*] 1
382 1 65 ALA H 1 131 MET QG 0.000 . 6.000 4.482 3.785 5.019 . 0 0 "[ . 1 ]" 1
383 1 66 GLN HA 1 69 PHE H 0.000 . 5.000 3.714 3.447 4.195 . 0 0 "[ . 1 ]" 1
384 1 66 GLN HA 1 90 HIS HD1 0.000 . 6.500 11.997 11.556 12.485 5.985 13 14 [*-**********+*] 1
385 1 66 GLN HA 1 90 HIS HD2 0.000 . 4.200 15.415 14.637 16.052 11.852 13 14 [*******-****+*] 1
386 1 66 GLN QB 1 67 HIS H 0.000 . 5.000 2.542 2.314 2.765 . 0 0 "[ . 1 ]" 1
387 1 66 GLN QB 1 90 HIS HD1 0.000 . 6.300 12.288 11.782 13.017 6.717 13 14 [*-**********+*] 1
388 1 66 GLN QB 1 90 HIS HD2 0.000 . 5.700 15.049 14.356 15.967 10.267 13 14 [*******-****+*] 1
389 1 67 HIS HA 1 68 VAL H 0.000 . 6.000 3.500 3.444 3.530 . 0 0 "[ . 1 ]" 1
390 1 67 HIS QB 1 68 VAL H 0.000 . 6.000 2.812 2.683 2.943 . 0 0 "[ . 1 ]" 1
391 1 68 VAL HA 1 108 TYR QD 0.000 . 6.500 8.607 8.148 9.077 2.577 3 14 [**+*****-*****] 1
392 1 68 VAL HA 1 69 PHE H 0.000 . 5.000 3.548 3.493 3.570 . 0 0 "[ . 1 ]" 1
393 1 68 VAL HA 1 71 SER QB 0.000 . 4.300 2.966 2.191 3.646 . 0 0 "[ . 1 ]" 1
394 1 68 VAL HB 1 108 TYR QD 0.000 . 5.800 10.649 10.120 11.130 5.330 3 14 [**+*****-*****] 1
395 1 68 VAL HB 1 125 VAL HA 0.000 . 6.000 12.023 11.307 12.458 6.458 12 14 [***-*******+**] 1
396 1 68 VAL HB 1 128 ILE HB 0.000 . 5.800 10.801 10.520 11.302 5.502 13 14 [**-*********+*] 1
397 1 68 VAL HB 1 69 PHE H 0.000 . 6.000 2.371 2.145 2.757 . 0 0 "[ . 1 ]" 1
398 1 68 VAL H 1 69 PHE H 0.000 . 5.000 2.723 2.581 2.986 . 0 0 "[ . 1 ]" 1
399 1 69 PHE HA 1 108 TYR HA 0.000 . 5.000 11.903 11.111 12.390 7.390 9 14 [********+****-] 1
400 1 69 PHE HA 1 108 TYR QD 0.000 . 4.800 12.506 11.986 13.024 8.224 12 14 [***********+-*] 1
401 1 69 PHE HA 1 72 PHE HB2 0.000 . 5.000 3.018 2.480 3.390 . 0 0 "[ . 1 ]" 1
402 1 70 ARG HA 1 71 SER H 0.000 . 5.000 3.494 3.379 3.594 . 0 0 "[ . 1 ]" 1
403 1 70 ARG HA 1 73 ASP QB 0.000 . 6.000 6.673 5.866 7.322 1.322 2 10 "[ +*** **1-***]" 1
404 1 70 ARG HE 1 80 LEU HA 0.000 . 7.000 13.647 11.824 15.026 8.026 14 14 [****-********+] 1
405 1 71 SER QB 1 72 PHE H 0.000 . 4.500 3.182 2.624 3.657 . 0 0 "[ . 1 ]" 1
406 1 71 SER H 1 72 PHE H 0.000 . 5.000 2.493 2.413 2.741 . 0 0 "[ . 1 ]" 1
407 1 72 PHE HA 1 108 TYR HA 0.000 . 5.000 10.223 9.276 10.809 5.809 8 14 [*-*****+******] 1
408 1 72 PHE HA 1 75 ASN QB 0.000 . 6.500 8.672 7.264 9.843 3.343 1 14 [+-************] 1
409 1 72 PHE QB 1 108 TYR QD 0.000 . 7.500 11.290 10.597 11.807 4.307 3 14 [**+*********-*] 1
410 1 72 PHE HB3 1 73 ASP H 0.000 . 5.000 2.836 1.658 4.203 . 0 0 "[ . 1 ]" 1
411 1 72 PHE H 1 108 TYR QB 0.000 . 6.000 9.871 9.214 10.523 4.523 12 14 [*********-*+**] 1
412 1 72 PHE H 1 73 ASP H 0.000 . 5.000 3.087 2.740 3.437 . 0 0 "[ . 1 ]" 1
413 1 73 ASP HA 1 74 ALA H 0.000 . 5.000 3.169 2.799 3.564 . 0 0 "[ . 1 ]" 1
414 1 73 ASP QB 1 74 ALA H 0.000 . 6.000 3.077 1.623 3.864 . 0 0 "[ . 1 ]" 1
415 1 73 ASP H 1 74 ALA H 0.000 . 6.000 2.490 1.434 4.002 . 0 0 "[ . 1 ]" 1
416 1 74 ALA HA 1 75 ASN QB 0.000 . 6.500 4.574 3.923 5.549 . 0 0 "[ . 1 ]" 1
417 1 74 ALA HA 1 75 ASN H 0.000 . 5.000 3.123 2.139 3.566 . 0 0 "[ . 1 ]" 1
418 1 75 ASN HA 1 76 SER H 0.000 . 5.000 3.049 2.146 3.566 . 0 0 "[ . 1 ]" 1
419 1 75 ASN H 1 76 SER H 0.000 . 5.000 3.902 2.800 4.656 . 0 0 "[ . 1 ]" 1
420 1 79 THR HA 1 80 LEU H 0.000 . 6.000 2.275 2.148 2.430 . 0 0 "[ . 1 ]" 1
421 1 80 LEU HA 1 81 ASP H 0.000 . 3.500 2.375 2.307 2.492 . 0 0 "[ . 1 ]" 1
422 1 81 ASP QB 1 82 PHE H 0.000 . 4.500 3.078 2.719 3.562 . 0 0 "[ . 1 ]" 1
423 1 81 ASP QB 1 83 LYS H 0.000 . 7.000 3.442 2.891 4.058 . 0 0 "[ . 1 ]" 1
424 1 81 ASP QB 1 86 VAL H 0.000 . 7.000 5.709 5.526 5.892 . 0 0 "[ . 1 ]" 1
425 1 82 PHE HA 1 83 LYS H 0.000 . 2.900 3.543 3.506 3.589 0.689 3 14 [**+*********-*] 1
426 1 83 LYS HA 1 84 GLN H 0.000 . 5.000 3.553 3.533 3.568 . 0 0 "[ . 1 ]" 1
427 1 83 LYS HA 1 86 VAL H 0.000 . 3.500 3.436 3.313 3.534 0.034 5 0 "[ . 1 ]" 1
428 1 83 LYS QB 1 84 GLN H 0.000 . 3.500 2.224 1.943 2.472 . 0 0 "[ . 1 ]" 1
429 1 83 LYS QB 1 85 TYR H 0.000 . 6.000 4.426 4.197 4.627 . 0 0 "[ . 1 ]" 1
430 1 83 LYS QB 1 86 VAL H 0.000 . 6.000 4.785 4.669 4.883 . 0 0 "[ . 1 ]" 1
431 1 83 LYS QD 1 84 GLN HA 0.000 . 5.300 5.977 5.625 6.527 1.227 2 12 "[*+******** * -]" 1
432 1 83 LYS QD 1 84 GLN H 0.000 . 8.000 4.375 3.746 4.921 . 0 0 "[ . 1 ]" 1
433 1 83 LYS QD 1 87 ILE HB 0.000 . 5.300 7.634 7.166 8.082 2.782 2 14 [*+*******-****] 1
434 1 83 LYS QD 1 87 ILE MG 0.000 . 6.200 7.851 7.275 8.357 2.157 2 14 [*+*******-****] 1
435 1 83 LYS QE 1 84 GLN HA 0.000 . 8.000 6.619 5.405 7.759 . 0 0 "[ . 1 ]" 1
436 1 83 LYS QE 1 87 ILE QG 0.000 . 6.200 6.837 5.480 8.406 2.206 3 8 "[* + * - **** ]" 1
437 1 83 LYS QE 1 87 ILE MG 0.000 . 6.200 8.323 7.313 9.606 3.406 12 14 [***-*******+**] 1
438 1 83 LYS H 1 84 GLN H 0.000 . 3.500 2.812 2.689 2.920 . 0 0 "[ . 1 ]" 1
439 1 84 GLN HA 1 85 TYR H 0.000 . 3.500 3.520 3.503 3.539 0.039 10 0 "[ . 1 ]" 1
440 1 84 GLN HA 1 87 ILE HB 0.000 . 3.300 2.648 2.415 2.904 . 0 0 "[ . 1 ]" 1
441 1 84 GLN HA 1 87 ILE QG 0.000 . 4.800 3.682 3.239 4.352 . 0 0 "[ . 1 ]" 1
442 1 84 GLN HA 1 87 ILE MG 0.000 . 4.200 4.010 3.753 4.279 0.079 12 0 "[ . 1 ]" 1
443 1 84 GLN HA 1 87 ILE H 0.000 . 3.500 3.393 3.230 3.547 0.047 13 0 "[ . 1 ]" 1
444 1 84 GLN QB 1 87 ILE H 0.000 . 6.000 4.871 4.563 5.136 . 0 0 "[ . 1 ]" 1
445 1 84 GLN QG 1 85 TYR H 0.000 . 6.000 4.057 3.831 4.557 . 0 0 "[ . 1 ]" 1
446 1 84 GLN H 1 85 TYR H 0.000 . 2.900 2.675 2.568 2.790 . 0 0 "[ . 1 ]" 1
447 1 84 GLN H 1 86 VAL H 0.000 . 6.000 4.231 4.078 4.463 . 0 0 "[ . 1 ]" 1
448 1 85 TYR HA 1 86 VAL H 0.000 . 3.500 3.535 3.514 3.562 0.062 1 0 "[ . 1 ]" 1
449 1 85 TYR HA 1 88 ALA H 0.000 . 3.500 3.583 3.287 4.047 0.547 6 1 "[ .+ 1 ]" 1
450 1 85 TYR HA 1 89 LEU QB 0.000 . 6.500 4.906 4.514 5.565 . 0 0 "[ . 1 ]" 1
451 1 85 TYR QB 1 86 VAL H 0.000 . 4.500 2.557 2.377 2.748 . 0 0 "[ . 1 ]" 1
452 1 85 TYR QB 1 89 LEU QB 0.000 . 7.500 5.095 4.762 5.749 . 0 0 "[ . 1 ]" 1
453 1 86 VAL HA 1 87 ILE H 0.000 . 6.000 3.541 3.473 3.571 . 0 0 "[ . 1 ]" 1
454 1 86 VAL HA 1 89 LEU QB 0.000 . 4.200 2.572 2.341 2.932 . 0 0 "[ . 1 ]" 1
455 1 86 VAL H 1 87 ILE H 0.000 . 3.500 2.705 2.501 2.850 . 0 0 "[ . 1 ]" 1
456 1 87 ILE HA 1 88 ALA H 0.000 . 5.000 3.535 3.485 3.559 . 0 0 "[ . 1 ]" 1
457 1 87 ILE HA 1 90 HIS QB 0.000 . 6.000 2.771 2.438 3.123 . 0 0 "[ . 1 ]" 1
458 1 87 ILE HA 1 90 HIS HD1 0.000 . 6.500 4.019 3.485 4.824 . 0 0 "[ . 1 ]" 1
459 1 87 ILE HA 1 90 HIS HD2 0.000 . 6.500 5.937 5.756 6.044 . 0 0 "[ . 1 ]" 1
460 1 87 ILE HA 1 90 HIS H 0.000 . 3.500 3.575 3.206 3.940 0.440 11 0 "[ . 1 ]" 1
461 1 87 ILE HA 1 91 MET H 0.000 . 5.000 3.654 3.300 4.350 . 0 0 "[ . 1 ]" 1
462 1 87 ILE HB 1 88 ALA H 0.000 . 3.500 2.596 2.068 2.918 . 0 0 "[ . 1 ]" 1
463 1 87 ILE QG 1 88 ALA HA 0.000 . 4.800 5.638 5.463 5.711 0.911 11 14 [********-*+***] 1
464 1 87 ILE QG 1 88 ALA H 0.000 . 4.400 4.214 3.949 4.404 0.004 2 0 "[ . 1 ]" 1
465 1 87 ILE QG 1 91 MET HA 0.000 . 6.500 6.581 5.823 7.687 1.187 13 3 "[ .- 1* + ]" 1
466 1 87 ILE QG 1 91 MET ME 0.000 . 4.200 5.863 5.379 6.512 2.312 10 14 [**-******+****] 1
467 1 87 ILE MG 1 88 ALA HA 0.000 . 6.500 2.988 2.835 3.196 . 0 0 "[ . 1 ]" 1
468 1 87 ILE MG 1 88 ALA H 0.000 . 5.000 2.854 2.437 3.318 . 0 0 "[ . 1 ]" 1
469 1 87 ILE MG 1 91 MET ME 0.000 . 4.200 3.557 3.015 4.164 . 0 0 "[ . 1 ]" 1
470 1 87 ILE H 1 88 ALA H 0.000 . 3.500 2.747 2.487 2.979 . 0 0 "[ . 1 ]" 1
471 1 87 ILE H 1 89 LEU QB 0.000 . 6.500 4.891 4.437 5.165 . 0 0 "[ . 1 ]" 1
472 1 88 ALA HA 1 89 LEU H 0.000 . 3.500 3.543 3.458 3.576 0.076 7 0 "[ . 1 ]" 1
473 1 88 ALA HA 1 90 HIS H 0.000 . 6.000 4.144 3.890 4.438 . 0 0 "[ . 1 ]" 1
474 1 88 ALA HA 1 91 MET QB 0.000 . 6.000 2.834 2.151 4.953 . 0 0 "[ . 1 ]" 1
475 1 89 LEU HA 1 90 HIS H 0.000 . 5.000 3.514 3.484 3.571 . 0 0 "[ . 1 ]" 1
476 1 89 LEU HA 1 92 THR H 0.000 . 5.000 4.769 3.963 6.834 1.834 13 2 "[ . 1- + ]" 1
477 1 89 LEU QB 1 90 HIS HA 0.000 . 4.800 4.195 3.816 4.381 . 0 0 "[ . 1 ]" 1
478 1 89 LEU QB 1 90 HIS H 0.000 . 4.400 2.676 2.412 2.825 . 0 0 "[ . 1 ]" 1
479 1 89 LEU H 1 90 HIS H 0.000 . 3.500 2.681 2.370 2.906 . 0 0 "[ . 1 ]" 1
480 1 90 HIS QB 1 91 MET H 0.000 . 4.500 2.355 1.992 2.628 . 0 0 "[ . 1 ]" 1
481 1 90 HIS HD1 1 91 MET H 0.000 . 6.500 4.355 4.097 4.561 . 0 0 "[ . 1 ]" 1
482 1 90 HIS HD2 1 91 MET H 0.000 . 6.500 5.806 5.405 6.100 . 0 0 "[ . 1 ]" 1
483 1 90 HIS HD2 1 92 THR H 0.000 . 7.500 7.580 6.673 9.469 1.969 11 3 "[ - . 1+ * ]" 1
484 1 90 HIS H 1 91 MET H 0.000 . 5.000 2.519 2.291 2.739 . 0 0 "[ . 1 ]" 1
485 1 91 MET QB 1 92 THR H 0.000 . 6.000 2.978 1.578 4.012 . 0 0 "[ . 1 ]" 1
486 1 91 MET H 1 92 THR H 0.000 . 3.500 3.136 2.680 4.330 0.830 11 2 "[ . 1+ - ]" 1
487 1 92 THR H 1 93 SER H 0.000 . 5.000 2.898 1.797 3.750 . 0 0 "[ . 1 ]" 1
488 1 93 SER HA 1 94 ALA H 0.000 . 5.000 2.801 2.140 3.538 . 0 0 "[ . 1 ]" 1
489 1 94 ALA MB 1 95 GLY H 0.000 . 6.000 2.223 1.668 2.895 . 0 0 "[ . 1 ]" 1
490 1 102 GLU HA 1 105 PHE QB 0.000 . 4.800 3.190 2.831 3.481 . 0 0 "[ . 1 ]" 1
491 1 102 GLU HA 1 173 GLU QG 0.000 . 6.500 8.316 7.894 8.982 2.482 9 14 [****-***+*****] 1
492 1 102 GLU QB 1 173 GLU QG 0.000 . 7.500 7.711 6.940 9.105 1.605 3 4 "[ + . * *- ]" 1
493 1 103 TRP HA 1 106 SER H 0.000 . 3.500 3.987 3.817 4.381 0.881 11 6 "[* .- **1+* ]" 1
494 1 103 TRP H 1 104 ALA H 0.000 . 5.000 2.677 2.441 2.867 . 0 0 "[ . 1 ]" 1
495 1 104 ALA HA 1 105 PHE HA 0.000 . 5.000 4.930 4.889 4.997 . 0 0 "[ . 1 ]" 1
496 1 104 ALA HA 1 107 LEU QB 0.000 . 6.000 3.748 3.200 4.242 . 0 0 "[ . 1 ]" 1
497 1 104 ALA HA 1 107 LEU H 0.000 . 5.000 3.438 3.071 3.687 . 0 0 "[ . 1 ]" 1
498 1 105 PHE HA 1 106 SER H 0.000 . 5.000 3.411 3.366 3.534 . 0 0 "[ . 1 ]" 1
499 1 105 PHE HA 1 108 TYR QB 0.000 . 6.000 2.431 2.070 2.954 . 0 0 "[ . 1 ]" 1
500 1 105 PHE HA 1 108 TYR QD 0.000 . 6.500 3.913 2.194 4.385 . 0 0 "[ . 1 ]" 1
501 1 105 PHE HA 1 108 TYR H 0.000 . 5.000 3.671 3.416 4.906 . 0 0 "[ . 1 ]" 1
502 1 105 PHE QB 1 106 SER H 0.000 . 5.000 3.052 2.555 3.180 . 0 0 "[ . 1 ]" 1
503 1 105 PHE QB 1 172 ILE MD 0.000 . 8.500 4.823 4.154 5.117 . 0 0 "[ . 1 ]" 1
504 1 105 PHE H 1 106 SER H 0.000 . 3.500 2.871 2.808 2.967 . 0 0 "[ . 1 ]" 1
505 1 106 SER HA 1 107 LEU H 0.000 . 5.000 3.563 3.553 3.580 . 0 0 "[ . 1 ]" 1
506 1 106 SER HA 1 109 ASP QB 0.000 . 6.000 3.228 2.721 3.474 . 0 0 "[ . 1 ]" 1
507 1 106 SER QB 1 107 LEU H 0.000 . 6.000 2.380 2.075 3.134 . 0 0 "[ . 1 ]" 1
508 1 106 SER H 1 107 LEU H 0.000 . 3.500 2.704 2.515 2.959 . 0 0 "[ . 1 ]" 1
509 1 107 LEU HA 1 108 TYR H 0.000 . 3.500 3.329 2.558 3.564 0.064 13 0 "[ . 1 ]" 1
510 1 107 LEU HA 1 110 VAL HB 0.000 . 6.000 7.172 6.682 7.855 1.855 11 14 [***-******+***] 1
511 1 107 LEU HA 1 110 VAL H 0.000 . 3.500 5.215 4.765 5.694 2.194 11 14 [*********-+***] 1
512 1 107 LEU H 1 108 TYR H 0.000 . 3.500 2.571 2.351 3.366 . 0 0 "[ . 1 ]" 1
513 1 108 TYR HA 1 109 ASP HA 0.000 . 5.000 4.613 4.590 4.642 . 0 0 "[ . 1 ]" 1
514 1 108 TYR QB 1 109 ASP H 0.000 . 6.000 2.873 2.658 3.016 . 0 0 "[ . 1 ]" 1
515 1 108 TYR QD 1 109 ASP H 0.000 . 6.500 4.533 3.906 4.712 . 0 0 "[ . 1 ]" 1
516 1 108 TYR QD 1 125 VAL QG 0.000 . 6.300 5.693 5.014 5.967 . 0 0 "[ . 1 ]" 1
517 1 108 TYR QD 1 188 GLU QB 0.000 . 7.500 10.604 8.550 11.991 4.491 10 14 [*********+*-**] 1
518 1 109 ASP HA 1 110 VAL H 0.000 . 5.000 2.486 2.387 2.766 . 0 0 "[ . 1 ]" 1
519 1 109 ASP HA 1 125 VAL QG 0.000 . 6.500 9.116 8.777 9.466 2.966 13 14 [*****-******+*] 1
520 1 109 ASP QB 1 110 VAL H 0.000 . 6.000 3.987 3.837 4.027 . 0 0 "[ . 1 ]" 1
521 1 109 ASP H 1 110 VAL H 0.000 . 5.000 3.507 2.911 3.625 . 0 0 "[ . 1 ]" 1
522 1 110 VAL HA 1 111 ASP H 0.000 . 2.900 3.563 3.484 3.598 0.698 10 14 [*-*******+****] 1
523 1 110 VAL HA 1 117 SER HA 0.000 . 5.000 11.720 11.043 12.423 7.423 6 14 [*****+****-***] 1
524 1 110 VAL HA 1 121 VAL HB 0.000 . 6.000 11.005 10.323 11.886 5.886 4 14 [***+***-******] 1
525 1 110 VAL H 1 111 ASP H 0.000 . 3.500 3.257 2.873 3.557 0.057 10 0 "[ . 1 ]" 1
526 1 111 ASP H 1 112 GLY H 0.000 . 5.000 2.818 2.389 2.940 . 0 0 "[ . 1 ]" 1
527 1 111 ASP H 1 121 VAL HA 0.000 . 5.000 8.578 8.186 9.052 4.052 13 14 [*******-****+*] 1
528 1 112 GLY H 1 113 ASN H 0.000 . 2.900 2.683 1.898 2.938 0.038 9 0 "[ . 1 ]" 1
529 1 113 ASN HA 1 114 GLY H 0.000 . 4.500 3.090 2.951 3.267 . 0 0 "[ . 1 ]" 1
530 1 113 ASN H 1 114 GLY H 0.000 . 2.900 2.874 1.846 3.652 0.752 8 7 "[ * ** + 1-** ]" 1
531 1 114 GLY QA 1 115 THR H 0.000 . 2.900 2.871 2.761 2.911 0.011 9 0 "[ . 1 ]" 1
532 1 114 GLY H 1 115 THR H 0.000 . 3.500 2.235 1.701 2.746 . 0 0 "[ . 1 ]" 1
533 1 115 THR HA 1 116 ILE MG 0.000 . 7.500 5.434 5.323 5.466 . 0 0 "[ . 1 ]" 1
534 1 115 THR HA 1 116 ILE H 0.000 . 6.000 2.182 2.119 2.450 . 0 0 "[ . 1 ]" 1
535 1 115 THR H 1 116 ILE H 0.000 . 2.900 4.246 4.103 4.523 1.623 11 14 [****-*****+***] 1
536 1 116 ILE HA 1 117 SER H 0.000 . 2.900 2.174 2.125 2.262 . 0 0 "[ . 1 ]" 1
537 1 116 ILE HA 1 166 LEU QB 0.000 . 4.300 4.809 4.643 5.047 0.747 3 7 "[ *+-* *1 **]" 1
538 1 116 ILE HA 1 167 THR HB 0.000 . 6.000 9.184 8.762 9.806 3.806 11 14 [******-***+***] 1
539 1 116 ILE HA 1 168 GLU HA 0.000 . 5.000 8.268 7.625 8.941 3.941 11 14 [**********+-**] 1
540 1 116 ILE HA 1 168 GLU QG 0.000 . 6.500 8.487 6.703 10.075 3.575 11 12 "[ ***-****1+***]" 1
541 1 116 ILE HA 1 169 LYS H 0.000 . 5.000 10.131 9.831 10.681 5.681 11 14 [******-***+***] 1
542 1 116 ILE HB 1 117 SER H 0.000 . 3.500 4.158 3.893 4.422 0.922 12 12 "[**-***** * +**]" 1
543 1 116 ILE HB 1 166 LEU HA 0.000 . 5.000 4.877 4.570 5.129 0.129 3 0 "[ . 1 ]" 1
544 1 116 ILE HB 1 166 LEU QB 0.000 . 3.700 2.192 2.087 2.546 . 0 0 "[ . 1 ]" 1
545 1 116 ILE HB 1 166 LEU HG 0.000 . 4.300 4.332 3.642 5.092 0.792 3 1 "[ + . 1 ]" 1
546 1 116 ILE HB 1 167 THR H 0.000 . 5.000 5.713 5.510 6.160 1.160 11 14 [-*********+***] 1
547 1 116 ILE HB 1 168 GLU QG 0.000 . 6.500 7.792 6.465 9.195 2.695 11 11 "[ ***.-***1+***]" 1
548 1 116 ILE MG 1 117 SER H 0.000 . 6.500 2.453 2.059 3.080 . 0 0 "[ . 1 ]" 1
549 1 116 ILE MG 1 166 LEU QB 0.000 . 5.800 3.400 3.087 3.657 . 0 0 "[ . 1 ]" 1
550 1 116 ILE MG 1 168 GLU HA 0.000 . 4.800 7.261 6.670 8.189 3.389 11 14 [**********+-**] 1
551 1 116 ILE MG 1 168 GLU QG 0.000 . 5.700 7.894 6.523 9.443 3.743 11 14 [*********-+***] 1
552 1 116 ILE H 1 117 SER H 0.000 . 5.000 4.509 4.308 4.611 . 0 0 "[ . 1 ]" 1
553 1 116 ILE H 1 168 GLU HA 0.000 . 5.000 6.333 5.667 6.930 1.930 9 14 [********+**-**] 1
554 1 117 SER HA 1 118 LYS H 0.000 . 2.900 2.387 2.239 2.458 . 0 0 "[ . 1 ]" 1
555 1 117 SER H 1 167 THR HB 0.000 . 6.000 10.844 10.439 11.415 5.415 11 14 [******-***+***] 1
556 1 117 SER H 1 167 THR H 0.000 . 3.500 9.038 8.665 9.278 5.778 11 14 [**********+-**] 1
557 1 117 SER H 1 168 GLU QG 0.000 . 6.500 10.365 8.574 11.834 5.334 11 14 [*********-+***] 1
558 1 118 LYS HA 1 119 ASN H 0.000 . 2.900 3.550 3.492 3.582 0.682 8 14 [*******+***-**] 1
559 1 118 LYS HA 1 166 LEU HA 0.000 . 5.000 9.921 9.323 10.527 5.527 6 14 [*****+****-***] 1
560 1 118 LYS HA 1 167 THR HB 0.000 . 6.000 14.418 13.606 14.966 8.966 1 14 [+**********-**] 1
561 1 118 LYS QB 1 119 ASN H 0.000 . 6.000 2.426 2.022 3.493 . 0 0 "[ . 1 ]" 1
562 1 118 LYS H 1 121 VAL HB 0.000 . 3.900 5.272 4.831 5.625 1.725 11 14 [**********+**-] 1
563 1 119 ASN HA 1 122 LEU H 0.000 . 5.000 3.571 3.389 3.620 . 0 0 "[ . 1 ]" 1
564 1 119 ASN QB 1 120 GLU H 0.000 . 6.000 2.645 2.025 3.483 . 0 0 "[ . 1 ]" 1
565 1 119 ASN H 1 120 GLU H 0.000 . 5.000 2.938 2.685 3.246 . 0 0 "[ . 1 ]" 1
566 1 120 GLU HA 1 121 VAL H 0.000 . 5.000 3.556 3.521 3.579 . 0 0 "[ . 1 ]" 1
567 1 120 GLU HA 1 123 GLU QB 0.000 . 6.000 3.366 2.974 3.746 . 0 0 "[ . 1 ]" 1
568 1 120 GLU HA 1 123 GLU H 0.000 . 3.500 3.471 3.348 3.561 0.061 9 0 "[ . 1 ]" 1
569 1 120 GLU QB 1 121 VAL H 0.000 . 4.500 2.270 2.106 2.495 . 0 0 "[ . 1 ]" 1
570 1 120 GLU QB 1 123 GLU QB 0.000 . 7.000 4.491 3.988 4.929 . 0 0 "[ . 1 ]" 1
571 1 120 GLU H 1 121 VAL H 0.000 . 5.000 2.786 2.567 3.145 . 0 0 "[ . 1 ]" 1
572 1 121 VAL HA 1 124 ILE H 0.000 . 3.500 3.560 3.383 3.707 0.207 10 0 "[ . 1 ]" 1
573 1 121 VAL H 1 122 LEU H 0.000 . 3.500 2.768 2.686 2.911 . 0 0 "[ . 1 ]" 1
574 1 122 LEU HA 1 125 VAL HB 0.000 . 5.000 2.903 2.196 3.509 . 0 0 "[ . 1 ]" 1
575 1 122 LEU HA 1 125 VAL H 0.000 . 5.000 3.797 3.471 4.057 . 0 0 "[ . 1 ]" 1
576 1 122 LEU HG 1 123 GLU H 0.000 . 5.900 4.887 4.705 5.017 . 0 0 "[ . 1 ]" 1
577 1 122 LEU H 1 123 GLU H 0.000 . 3.500 2.710 2.615 2.853 . 0 0 "[ . 1 ]" 1
578 1 123 GLU HA 1 126 THR HB 0.000 . 5.000 2.398 2.189 2.747 . 0 0 "[ . 1 ]" 1
579 1 123 GLU HA 1 126 THR H 0.000 . 5.000 3.560 3.347 3.797 . 0 0 "[ . 1 ]" 1
580 1 123 GLU QB 1 124 ILE H 0.000 . 4.500 2.171 1.980 2.352 . 0 0 "[ . 1 ]" 1
581 1 123 GLU H 1 124 ILE H 0.000 . 3.500 2.771 2.652 2.906 . 0 0 "[ . 1 ]" 1
582 1 124 ILE HA 1 127 ALA H 0.000 . 5.000 3.866 3.554 4.110 . 0 0 "[ . 1 ]" 1
583 1 124 ILE HB 1 125 VAL H 0.000 . 4.500 2.399 2.049 2.876 . 0 0 "[ . 1 ]" 1
584 1 124 ILE HB 1 128 ILE HB 0.000 . 5.800 6.342 5.763 7.156 1.356 2 7 "[ + ***- ** ]" 1
585 1 124 ILE H 1 125 VAL H 0.000 . 3.500 2.929 2.741 3.136 . 0 0 "[ . 1 ]" 1
586 1 125 VAL HA 1 128 ILE HB 0.000 . 4.800 3.191 2.698 3.663 . 0 0 "[ . 1 ]" 1
587 1 125 VAL HA 1 128 ILE H 0.000 . 5.000 3.981 3.504 4.271 . 0 0 "[ . 1 ]" 1
588 1 125 VAL HB 1 126 THR H 0.000 . 5.000 2.272 2.156 2.431 . 0 0 "[ . 1 ]" 1
589 1 125 VAL QG 1 126 THR H 0.000 . 6.500 2.920 2.416 3.153 . 0 0 "[ . 1 ]" 1
590 1 125 VAL QG 1 128 ILE HB 0.000 . 6.300 3.876 3.277 4.244 . 0 0 "[ . 1 ]" 1
591 1 125 VAL QG 1 129 PHE QD 0.000 . 5.700 3.298 2.209 4.039 . 0 0 "[ . 1 ]" 1
592 1 125 VAL H 1 126 THR H 0.000 . 3.500 2.783 2.693 3.055 . 0 0 "[ . 1 ]" 1
593 1 126 THR HA 1 127 ALA H 0.000 . 5.000 3.556 3.539 3.570 . 0 0 "[ . 1 ]" 1
594 1 126 THR HA 1 129 PHE QD 0.000 . 4.800 4.420 3.795 4.814 0.014 1 0 "[ . 1 ]" 1
595 1 126 THR HA 1 129 PHE H 0.000 . 5.000 3.881 3.683 4.122 . 0 0 "[ . 1 ]" 1
596 1 126 THR HB 1 129 PHE QD 0.000 . 6.500 6.917 6.396 7.402 0.902 14 7 "[**-*.* 1* +]" 1
597 1 126 THR HG1 1 152 GLU HA 0.000 . 6.500 11.899 10.038 13.690 7.190 4 14 [***+******-***] 1
598 1 126 THR MG 1 129 PHE QD 0.000 . 8.000 5.321 4.115 5.930 . 0 0 "[ . 1 ]" 1
599 1 126 THR MG 1 130 LYS QB 0.000 . 7.500 2.871 2.105 4.019 . 0 0 "[ . 1 ]" 1
600 1 126 THR MG 1 130 LYS QD 0.000 . 6.200 3.271 2.070 4.483 . 0 0 "[ . 1 ]" 1
601 1 126 THR MG 1 130 LYS QE 0.000 . 6.800 3.368 2.377 4.587 . 0 0 "[ . 1 ]" 1
602 1 126 THR MG 1 148 GLU HA 0.000 . 4.800 7.816 7.090 8.666 3.866 5 14 [*-**+*********] 1
603 1 126 THR MG 1 151 ALA MB 0.000 . 5.200 6.852 6.007 7.640 2.440 4 14 [***+******-***] 1
604 1 126 THR MG 1 152 GLU HA 0.000 . 6.500 12.218 11.185 13.136 6.636 4 14 [***+******-***] 1
605 1 126 THR MG 1 152 GLU H 0.000 . 6.500 10.499 9.512 11.439 4.939 4 14 [***+******-***] 1
606 1 126 THR MG 1 155 TRP HD1 0.000 . 6.300 14.201 13.581 14.733 8.433 5 14 [****+*****-***] 1
607 1 126 THR H 1 127 ALA H 0.000 . 3.500 2.875 2.730 3.007 . 0 0 "[ . 1 ]" 1
608 1 127 ALA HA 1 128 ILE H 0.000 . 5.000 3.569 3.551 3.585 . 0 0 "[ . 1 ]" 1
609 1 127 ALA HA 1 130 LYS QB 0.000 . 6.000 2.629 2.310 2.939 . 0 0 "[ . 1 ]" 1
610 1 127 ALA HA 1 130 LYS H 0.000 . 5.000 3.631 3.331 3.860 . 0 0 "[ . 1 ]" 1
611 1 127 ALA HA 1 148 GLU QB 0.000 . 6.000 11.856 10.558 12.743 6.743 5 14 [*-**+*********] 1
612 1 127 ALA HA 1 148 GLU QG 0.000 . 6.000 11.892 9.816 13.721 7.721 5 14 [****+**-******] 1
613 1 127 ALA H 1 128 ILE H 0.000 . 2.900 3.172 3.060 3.404 0.504 13 1 "[ . 1 + ]" 1
614 1 128 ILE HA 1 131 MET QB 0.000 . 6.000 3.108 2.744 4.132 . 0 0 "[ . 1 ]" 1
615 1 128 ILE HA 1 131 MET ME 0.000 . 6.000 5.042 4.278 5.411 . 0 0 "[ . 1 ]" 1
616 1 128 ILE HB 1 129 PHE H 0.000 . 5.000 2.100 1.885 2.322 . 0 0 "[ . 1 ]" 1
617 1 128 ILE HB 1 131 MET QG 0.000 . 7.500 7.435 6.960 7.907 0.407 5 0 "[ . 1 ]" 1
618 1 128 ILE H 1 129 PHE H 0.000 . 3.500 3.127 2.962 3.222 . 0 0 "[ . 1 ]" 1
619 1 129 PHE HA 1 132 ILE HB 0.000 . 6.000 2.960 2.520 3.406 . 0 0 "[ . 1 ]" 1
620 1 129 PHE HA 1 132 ILE QG 0.000 . 6.000 2.594 2.172 3.517 . 0 0 "[ . 1 ]" 1
621 1 129 PHE HA 1 132 ILE H 0.000 . 5.000 3.278 2.866 3.558 . 0 0 "[ . 1 ]" 1
622 1 129 PHE QD 1 155 TRP HD1 0.000 . 6.300 14.986 13.718 15.946 9.646 5 14 [****+*******-*] 1
623 1 129 PHE QD 1 188 GLU HA 0.000 . 4.800 9.617 7.957 11.610 6.810 10 14 [*********+-***] 1
624 1 129 PHE QD 1 188 GLU QB 0.000 . 5.800 7.939 5.157 9.958 4.158 12 13 "[***********+- ]" 1
625 1 129 PHE H 1 130 LYS H 0.000 . 3.500 2.865 2.696 3.009 . 0 0 "[ . 1 ]" 1
626 1 130 LYS HA 1 131 MET H 0.000 . 5.000 3.548 3.493 3.592 . 0 0 "[ . 1 ]" 1
627 1 130 LYS HA 1 133 SER H 0.000 . 5.000 7.185 6.511 7.624 2.624 7 14 [******+**-****] 1
628 1 130 LYS QB 1 131 MET HA 0.000 . 6.000 4.079 3.850 4.700 . 0 0 "[ . 1 ]" 1
629 1 130 LYS QB 1 131 MET H 0.000 . 6.000 2.577 2.230 3.071 . 0 0 "[ . 1 ]" 1
630 1 130 LYS QB 1 147 PRO HA 0.000 . 6.000 8.038 7.455 8.977 2.977 6 14 [*****+****-***] 1
631 1 130 LYS QB 1 148 GLU HA 0.000 . 6.000 11.081 10.018 12.544 6.544 5 14 [****+**-******] 1
632 1 130 LYS QB 1 148 GLU QG 0.000 . 7.000 10.518 7.974 12.580 5.580 5 14 [****+**-******] 1
633 1 130 LYS QD 1 138 LYS QG 0.000 . 6.800 13.317 11.257 15.025 8.225 9 14 [********+-****] 1
634 1 130 LYS QD 1 141 PRO QD 0.000 . 8.500 14.297 12.828 15.745 7.245 12 14 [****-******+**] 1
635 1 130 LYS QD 1 147 PRO HA 0.000 . 7.000 9.212 7.853 9.813 2.813 12 14 [***********+-*] 1
636 1 130 LYS QD 1 148 GLU HA 0.000 . 7.000 11.749 10.361 12.957 5.957 5 14 [****+-********] 1
637 1 130 LYS QD 1 148 GLU QG 0.000 . 8.000 10.837 8.407 12.751 4.751 14 12 "[-**** ******+]" 1
638 1 130 LYS QE 1 138 LYS QG 0.000 . 6.800 13.748 12.621 15.812 9.012 6 14 [*****+*******-] 1
639 1 130 LYS QE 1 141 PRO QD 0.000 . 6.800 14.879 13.824 16.500 9.700 7 14 [**-***+*******] 1
640 1 130 LYS QE 1 148 GLU HA 0.000 . 7.000 11.786 10.059 13.551 6.551 4 14 [*-*+**********] 1
641 1 130 LYS H 1 131 MET H 0.000 . 5.000 2.856 2.741 3.017 . 0 0 "[ . 1 ]" 1
642 1 131 MET HA 1 132 ILE H 0.000 . 5.000 3.570 3.552 3.596 . 0 0 "[ . 1 ]" 1
643 1 131 MET QB 1 132 ILE H 0.000 . 6.000 2.322 2.024 2.505 . 0 0 "[ . 1 ]" 1
644 1 131 MET H 1 132 ILE H 0.000 . 3.500 2.723 2.594 2.876 . 0 0 "[ . 1 ]" 1
645 1 132 ILE HB 1 133 SER H 0.000 . 6.000 4.203 3.838 4.493 . 0 0 "[ . 1 ]" 1
646 1 132 ILE H 1 133 SER H 0.000 . 2.900 4.498 4.198 4.677 1.777 7 14 [******+*****-*] 1
647 1 134 PRO HA 1 135 GLU QG 0.000 . 6.000 5.915 4.834 6.612 0.612 14 3 "[ * -. 1 +]" 1
648 1 135 GLU HA 1 136 ASP HA 0.000 . 5.000 4.615 4.584 4.711 . 0 0 "[ . 1 ]" 1
649 1 135 GLU HA 1 138 LYS QG 0.000 . 6.500 4.527 3.039 6.096 . 0 0 "[ . 1 ]" 1
650 1 135 GLU HA 1 138 LYS H 0.000 . 5.000 4.440 4.193 4.825 . 0 0 "[ . 1 ]" 1
651 1 135 GLU QB 1 136 ASP HA 0.000 . 4.300 4.235 3.806 4.574 0.274 13 0 "[ . 1 ]" 1
652 1 136 ASP HA 1 137 THR H 0.000 . 3.500 3.476 3.385 3.554 0.054 13 0 "[ . 1 ]" 1
653 1 136 ASP QB 1 137 THR HA 0.000 . 6.000 3.938 3.800 4.265 . 0 0 "[ . 1 ]" 1
654 1 136 ASP QB 1 137 THR H 0.000 . 3.900 2.814 2.166 3.151 . 0 0 "[ . 1 ]" 1
655 1 136 ASP H 1 137 THR H 0.000 . 5.000 2.178 2.025 2.423 . 0 0 "[ . 1 ]" 1
656 1 137 THR HA 1 138 LYS H 0.000 . 5.000 3.329 3.224 3.480 . 0 0 "[ . 1 ]" 1
657 1 137 THR HA 1 140 LEU QB 0.000 . 6.000 4.151 3.347 4.837 . 0 0 "[ . 1 ]" 1
658 1 137 THR HB 1 138 LYS H 0.000 . 6.000 3.353 2.901 3.571 . 0 0 "[ . 1 ]" 1
659 1 137 THR H 1 138 LYS H 0.000 . 2.900 2.654 2.481 2.813 . 0 0 "[ . 1 ]" 1
660 1 137 THR H 1 139 HIS H 0.000 . 5.000 4.425 4.116 5.069 0.069 10 0 "[ . 1 ]" 1
661 1 138 LYS HA 1 139 HIS H 0.000 . 5.000 3.296 2.993 3.504 . 0 0 "[ . 1 ]" 1
662 1 138 LYS HA 1 141 PRO QD 0.000 . 4.200 7.225 3.904 8.108 3.908 3 13 "[-*+** ********]" 1
663 1 138 LYS QG 1 139 HIS H 0.000 . 5.000 4.092 3.234 4.733 . 0 0 "[ . 1 ]" 1
664 1 138 LYS QG 1 141 PRO QD 0.000 . 5.700 7.968 4.537 9.185 3.485 10 13 "[-**** ***+****]" 1
665 1 138 LYS QG 1 146 THR HB 0.000 . 7.500 12.108 10.074 14.449 6.949 3 14 [**+-**********] 1
666 1 138 LYS H 1 139 HIS H 0.000 . 3.500 2.537 2.231 3.071 . 0 0 "[ . 1 ]" 1
667 1 139 HIS QB 1 140 LEU QB 0.000 . 7.000 4.633 3.868 5.579 . 0 0 "[ . 1 ]" 1
668 1 141 PRO QD 1 146 THR HA 0.000 . 4.800 9.463 7.473 11.374 6.574 11 14 [*******-**+***] 1
669 1 141 PRO QD 1 146 THR HB 0.000 . 7.500 11.102 9.300 12.643 5.143 11 14 [*******-**+***] 1
670 1 142 GLU HA 1 143 ASP H 0.000 . 2.900 3.101 2.503 3.566 0.666 3 3 "[ + .- * ]" 1
671 1 142 GLU QB 1 143 ASP H 0.000 . 6.000 2.776 1.629 3.631 . 0 0 "[ . 1 ]" 1
672 1 143 ASP HA 1 144 GLU H 0.000 . 5.000 3.209 2.143 3.484 . 0 0 "[ . 1 ]" 1
673 1 143 ASP HA 1 146 THR HB 0.000 . 6.000 9.410 7.119 10.902 4.902 7 14 [-*****+*******] 1
674 1 143 ASP QB 1 144 GLU QB 0.000 . 7.000 3.922 3.390 4.317 . 0 0 "[ . 1 ]" 1
675 1 143 ASP QB 1 144 GLU H 0.000 . 3.900 3.370 2.924 3.980 0.080 1 0 "[ . 1 ]" 1
676 1 143 ASP H 1 144 GLU H 0.000 . 5.000 2.542 1.619 3.206 . 0 0 "[ . 1 ]" 1
677 1 144 GLU H 1 145 ASN H 0.000 . 2.900 2.782 1.820 3.080 0.180 8 0 "[ . 1 ]" 1
678 1 145 ASN HA 1 146 THR H 0.000 . 5.000 3.373 3.173 3.602 . 0 0 "[ . 1 ]" 1
679 1 145 ASN HA 1 151 ALA H 0.000 . 5.000 8.782 7.043 9.600 4.600 9 14 [****-***+*****] 1
680 1 145 ASN H 1 146 THR H 0.000 . 2.900 2.395 1.802 3.297 0.397 8 0 "[ . 1 ]" 1
681 1 147 PRO HA 1 148 GLU QG 0.000 . 6.000 5.733 4.520 6.497 0.497 4 0 "[ . 1 ]" 1
682 1 147 PRO QG 1 150 ARG HE 0.000 . 5.800 8.984 7.628 10.121 4.321 11 14 [***-******+***] 1
683 1 147 PRO QG 1 150 ARG H 0.000 . 6.500 5.951 5.757 6.107 . 0 0 "[ . 1 ]" 1
684 1 148 GLU HA 1 149 LYS H 0.000 . 5.000 3.470 3.397 3.534 . 0 0 "[ . 1 ]" 1
685 1 148 GLU HA 1 151 ALA MB 0.000 . 4.300 2.472 2.196 2.750 . 0 0 "[ . 1 ]" 1
686 1 148 GLU HA 1 151 ALA H 0.000 . 5.000 3.541 3.183 3.933 . 0 0 "[ . 1 ]" 1
687 1 149 LYS HA 1 150 ARG H 0.000 . 5.000 3.509 3.458 3.548 . 0 0 "[ . 1 ]" 1
688 1 149 LYS HA 1 152 GLU QB 0.000 . 4.800 3.498 3.045 4.335 . 0 0 "[ . 1 ]" 1
689 1 149 LYS HA 1 152 GLU H 0.000 . 5.000 4.109 3.925 4.367 . 0 0 "[ . 1 ]" 1
690 1 149 LYS H 1 150 ARG H 0.000 . 5.000 2.494 2.318 2.816 . 0 0 "[ . 1 ]" 1
691 1 150 ARG H 1 151 ALA H 0.000 . 3.500 2.391 2.271 2.529 . 0 0 "[ . 1 ]" 1
692 1 151 ALA HA 1 152 GLU H 0.000 . 5.000 3.466 3.410 3.502 . 0 0 "[ . 1 ]" 1
693 1 151 ALA HA 1 154 ILE HB 0.000 . 6.000 3.295 3.089 3.376 . 0 0 "[ . 1 ]" 1
694 1 151 ALA HA 1 154 ILE H 0.000 . 2.900 3.657 3.445 3.816 0.916 11 14 [******-***+***] 1
695 1 151 ALA HA 1 155 TRP HD1 0.000 . 6.500 7.554 7.016 8.015 1.515 9 14 [********+***-*] 1
696 1 151 ALA MB 1 152 GLU H 0.000 . 4.500 2.672 2.518 2.824 . 0 0 "[ . 1 ]" 1
697 1 151 ALA MB 1 154 ILE H 0.000 . 4.500 4.890 4.707 5.070 0.570 3 2 "[ + - 1 ]" 1
698 1 151 ALA H 1 152 GLU H 0.000 . 3.500 2.723 2.655 2.857 . 0 0 "[ . 1 ]" 1
699 1 152 GLU HA 1 155 TRP HD1 0.000 . 4.800 4.495 3.775 4.883 0.083 2 0 "[ . 1 ]" 1
700 1 152 GLU HA 1 155 TRP H 0.000 . 5.000 4.084 3.420 4.378 . 0 0 "[ . 1 ]" 1
701 1 152 GLU QB 1 153 LYS H 0.000 . 4.400 2.821 2.689 3.004 . 0 0 "[ . 1 ]" 1
702 1 152 GLU QB 1 155 TRP HD1 0.000 . 6.300 6.155 5.577 6.583 0.283 14 0 "[ . 1 ]" 1
703 1 152 GLU QB 1 155 TRP H 0.000 . 6.500 5.609 5.083 5.841 . 0 0 "[ . 1 ]" 1
704 1 152 GLU H 1 153 LYS H 0.000 . 2.900 2.398 2.290 2.521 . 0 0 "[ . 1 ]" 1
705 1 152 GLU H 1 155 TRP HD1 0.000 . 6.500 7.219 6.605 7.571 1.071 2 9 "[*+ .***-** *]" 1
706 1 153 LYS HA 1 154 ILE H 0.000 . 5.000 3.557 3.533 3.578 . 0 0 "[ . 1 ]" 1
707 1 153 LYS HA 1 156 GLY H 0.000 . 5.000 3.803 3.565 4.002 . 0 0 "[ . 1 ]" 1
708 1 153 LYS QB 1 154 ILE H 0.000 . 4.500 2.324 2.002 2.571 . 0 0 "[ . 1 ]" 1
709 1 153 LYS QG 1 154 ILE H 0.000 . 6.000 3.896 3.289 4.400 . 0 0 "[ . 1 ]" 1
710 1 153 LYS H 1 154 ILE H 0.000 . 2.900 2.639 2.534 2.908 0.008 3 0 "[ . 1 ]" 1
711 1 154 ILE H 1 155 TRP HD1 0.000 . 6.500 7.496 7.316 7.710 1.210 3 14 [**+*-*********] 1
712 1 155 TRP HA 1 158 PHE QB 0.000 . 6.000 3.668 3.133 4.910 . 0 0 "[ . 1 ]" 1
713 1 155 TRP HA 1 158 PHE QD 0.000 . 7.000 3.078 2.309 4.518 . 0 0 "[ . 1 ]" 1
714 1 155 TRP HA 1 158 PHE H 0.000 . 5.000 3.820 3.506 4.583 . 0 0 "[ . 1 ]" 1
715 1 155 TRP HD1 1 156 GLY H 0.000 . 6.500 4.463 3.863 4.781 . 0 0 "[ . 1 ]" 1
716 1 155 TRP HD1 1 186 GLN HA 0.000 . 6.500 17.335 13.383 18.871 12.371 10 14 [*********+*-**] 1
717 1 155 TRP H 1 156 GLY H 0.000 . 3.500 2.725 2.629 2.889 . 0 0 "[ . 1 ]" 1
718 1 155 TRP H 1 185 ILE MD 0.000 . 7.400 8.460 7.753 9.249 1.849 4 13 "[**-+****** ***]" 1
719 1 157 PHE HA 1 158 PHE H 0.000 . 4.500 3.560 3.524 3.584 . 0 0 "[ . 1 ]" 1
720 1 157 PHE HA 1 160 LYS H 0.000 . 6.000 7.684 6.213 8.569 2.569 9 13 [****.*-*+*****] 1
721 1 157 PHE H 1 158 PHE H 0.000 . 3.500 2.841 2.571 3.433 . 0 0 "[ . 1 ]" 1
722 1 158 PHE HA 1 182 LEU QD 0.000 . 6.500 9.961 8.352 11.400 4.900 3 14 [-*+***********] 1
723 1 158 PHE QB 1 159 GLY H 0.000 . 6.000 2.394 1.977 2.947 . 0 0 "[ . 1 ]" 1
724 1 158 PHE QB 1 182 LEU QD 0.000 . 5.800 9.521 8.230 10.647 4.847 11 14 [-*********+***] 1
725 1 158 PHE QD 1 159 GLY H 0.000 . 7.000 4.057 3.270 4.592 . 0 0 "[ . 1 ]" 1
726 1 158 PHE QD 1 182 LEU QD 0.000 . 8.500 8.183 6.955 9.282 0.782 11 2 "[ - . 1+ ]" 1
727 1 158 PHE H 1 159 GLY H 0.000 . 3.500 2.665 2.330 2.932 . 0 0 "[ . 1 ]" 1
728 1 159 GLY H 1 160 LYS H 0.000 . 2.900 3.320 1.902 3.791 0.891 3 9 "[* +*.- **** *]" 1
729 1 160 LYS HA 1 161 LYS H 0.000 . 4.500 2.397 2.144 2.820 . 0 0 "[ . 1 ]" 1
730 1 160 LYS H 1 161 LYS H 0.000 . 3.500 4.312 3.511 4.660 1.160 4 11 "[- *+** *** ***]" 1
731 1 161 LYS HA 1 162 ASP QB 0.000 . 6.000 5.102 4.365 5.593 . 0 0 "[ . 1 ]" 1
732 1 161 LYS HA 1 162 ASP H 0.000 . 2.900 3.231 2.698 3.596 0.696 7 8 "[*** .*+*-1 *]" 1
733 1 161 LYS HA 1 165 LYS HA 0.000 . 5.000 8.604 7.156 9.945 4.945 9 14 [***-****+*****] 1
734 1 161 LYS HA 1 165 LYS QB 0.000 . 6.000 9.176 8.155 10.907 4.907 9 14 [********+****-] 1
735 1 161 LYS QB 1 162 ASP H 0.000 . 4.500 2.325 1.687 3.876 . 0 0 "[ . 1 ]" 1
736 1 161 LYS QB 1 165 LYS QB 0.000 . 7.000 8.992 7.816 10.018 3.018 11 14 [***-******+***] 1
737 1 161 LYS QD 1 165 LYS HA 0.000 . 6.000 9.868 9.060 10.421 4.421 14 14 [***-*********+] 1
738 1 161 LYS QD 1 165 LYS QB 0.000 . 7.000 10.004 9.115 10.825 3.825 12 14 [-**********+**] 1
739 1 161 LYS QD 1 167 THR HB 0.000 . 5.300 15.444 13.464 16.671 11.371 14 14 [********-****+] 1
740 1 161 LYS QE 1 167 THR HB 0.000 . 7.000 16.466 14.747 18.028 11.028 14 14 [********-****+] 1
741 1 161 LYS QG 1 165 LYS QB 0.000 . 7.000 9.487 8.163 10.124 3.124 7 14 [******+*-*****] 1
742 1 162 ASP H 1 165 LYS QB 0.000 . 6.000 8.994 7.485 10.339 4.339 12 14 [**********-+**] 1
743 1 163 ASP HA 1 164 ASP HA 0.000 . 5.000 4.621 4.324 5.126 0.126 14 0 "[ . 1 ]" 1
744 1 163 ASP QB 1 164 ASP H 0.000 . 6.000 3.524 1.673 4.021 . 0 0 "[ . 1 ]" 1
745 1 164 ASP HA 1 165 LYS HA 0.000 . 5.000 4.433 4.332 4.589 . 0 0 "[ . 1 ]" 1
746 1 164 ASP HA 1 165 LYS H 0.000 . 2.900 2.458 2.127 3.019 0.119 7 0 "[ . 1 ]" 1
747 1 164 ASP QB 1 165 LYS HA 0.000 . 6.000 4.517 4.304 4.944 . 0 0 "[ . 1 ]" 1
748 1 164 ASP H 1 165 LYS H 0.000 . 3.500 3.367 1.534 3.706 0.206 9 0 "[ . 1 ]" 1
749 1 165 LYS HA 1 166 LEU HA 0.000 . 5.000 4.398 4.346 4.470 . 0 0 "[ . 1 ]" 1
750 1 165 LYS HA 1 166 LEU QB 0.000 . 6.000 4.056 3.977 4.133 . 0 0 "[ . 1 ]" 1
751 1 165 LYS HA 1 166 LEU QD 0.000 . 6.000 4.741 3.837 5.202 . 0 0 "[ . 1 ]" 1
752 1 165 LYS HA 1 166 LEU H 0.000 . 2.900 2.189 2.111 2.325 . 0 0 "[ . 1 ]" 1
753 1 165 LYS QB 1 166 LEU HA 0.000 . 6.000 4.438 4.153 4.644 . 0 0 "[ . 1 ]" 1
754 1 165 LYS QB 1 166 LEU H 0.000 . 4.500 3.179 2.647 3.651 . 0 0 "[ . 1 ]" 1
755 1 165 LYS H 1 166 LEU H 0.000 . 3.500 4.311 3.824 4.607 1.107 3 12 "[- +**** ******]" 1
756 1 166 LEU HA 1 167 THR HA 0.000 . 5.000 4.399 4.380 4.433 . 0 0 "[ . 1 ]" 1
757 1 166 LEU HA 1 167 THR H 0.000 . 2.900 2.139 2.081 2.193 . 0 0 "[ . 1 ]" 1
758 1 166 LEU QB 1 167 THR H 0.000 . 3.900 3.641 3.552 3.739 . 0 0 "[ . 1 ]" 1
759 1 166 LEU H 1 167 THR H 0.000 . 5.000 4.514 4.451 4.615 . 0 0 "[ . 1 ]" 1
760 1 167 THR HA 1 168 GLU H 0.000 . 2.900 2.423 2.371 2.458 . 0 0 "[ . 1 ]" 1
761 1 167 THR HB 1 168 GLU H 0.000 . 3.900 2.665 2.358 3.385 . 0 0 "[ . 1 ]" 1
762 1 167 THR H 1 168 GLU H 0.000 . 5.000 4.571 4.536 4.598 . 0 0 "[ . 1 ]" 1
763 1 168 GLU HA 1 169 LYS H 0.000 . 2.900 3.408 3.222 3.581 0.681 12 8 "[- **. **+**]" 1
764 1 168 GLU QG 1 169 LYS H 0.000 . 5.000 3.206 1.787 4.150 . 0 0 "[ . 1 ]" 1
765 1 168 GLU H 1 171 PHE QB 0.000 . 4.500 4.405 4.247 4.671 0.171 2 0 "[ . 1 ]" 1
766 1 168 GLU H 1 171 PHE H 0.000 . 5.000 4.829 4.313 5.202 0.202 5 0 "[ . 1 ]" 1
767 1 169 LYS HA 1 172 ILE HB 0.000 . 6.000 4.135 3.705 4.551 . 0 0 "[ . 1 ]" 1
768 1 169 LYS HA 1 172 ILE H 0.000 . 5.000 4.209 3.941 4.536 . 0 0 "[ . 1 ]" 1
769 1 169 LYS H 1 170 GLU H 0.000 . 3.500 2.728 2.462 2.897 . 0 0 "[ . 1 ]" 1
770 1 170 GLU HA 1 173 GLU QG 0.000 . 6.500 2.469 2.148 3.322 . 0 0 "[ . 1 ]" 1
771 1 170 GLU HA 1 173 GLU H 0.000 . 5.000 2.699 2.611 2.880 . 0 0 "[ . 1 ]" 1
772 1 170 GLU QB 1 171 PHE H 0.000 . 4.500 2.631 2.477 2.780 . 0 0 "[ . 1 ]" 1
773 1 170 GLU H 1 171 PHE H 0.000 . 2.900 2.498 2.273 2.727 . 0 0 "[ . 1 ]" 1
774 1 171 PHE HA 1 172 ILE H 0.000 . 5.000 3.453 3.415 3.512 . 0 0 "[ . 1 ]" 1
775 1 171 PHE HA 1 174 GLY H 0.000 . 5.000 4.105 3.612 4.442 . 0 0 "[ . 1 ]" 1
776 1 171 PHE QB 1 172 ILE H 0.000 . 4.500 2.796 2.465 2.975 . 0 0 "[ . 1 ]" 1
777 1 171 PHE QB 1 174 GLY H 0.000 . 4.500 5.499 5.185 5.637 1.137 1 14 [+***********-*] 1
778 1 171 PHE H 1 172 ILE H 0.000 . 2.900 2.770 2.709 2.824 . 0 0 "[ . 1 ]" 1
779 1 172 ILE HA 1 173 GLU H 0.000 . 5.000 3.516 3.483 3.553 . 0 0 "[ . 1 ]" 1
780 1 172 ILE HB 1 173 GLU H 0.000 . 6.000 2.710 2.558 2.899 . 0 0 "[ . 1 ]" 1
781 1 172 ILE MD 1 173 GLU HA 0.000 . 7.000 5.749 5.642 5.821 . 0 0 "[ . 1 ]" 1
782 1 172 ILE MD 1 173 GLU QG 0.000 . 8.500 4.052 3.913 4.162 . 0 0 "[ . 1 ]" 1
783 1 172 ILE MD 1 173 GLU H 0.000 . 7.000 4.239 3.719 4.413 . 0 0 "[ . 1 ]" 1
784 1 172 ILE H 1 173 GLU H 0.000 . 3.500 2.297 2.231 2.579 . 0 0 "[ . 1 ]" 1
785 1 173 GLU HA 1 174 GLY H 0.000 . 5.000 3.568 3.552 3.576 . 0 0 "[ . 1 ]" 1
786 1 173 GLU HA 1 176 LEU H 0.000 . 5.000 2.639 2.534 2.751 . 0 0 "[ . 1 ]" 1
787 1 173 GLU QG 1 174 GLY H 0.000 . 5.000 3.685 3.462 3.918 . 0 0 "[ . 1 ]" 1
788 1 173 GLU QG 1 177 ALA MB 0.000 . 5.800 5.924 5.525 6.492 0.692 5 2 "[ + - 1 ]" 1
789 1 173 GLU H 1 174 GLY H 0.000 . 3.500 2.550 2.418 2.638 . 0 0 "[ . 1 ]" 1
790 1 175 THR HA 1 176 LEU H 0.000 . 3.900 3.486 3.443 3.526 . 0 0 "[ . 1 ]" 1
791 1 175 THR HA 1 178 ASN QB 0.000 . 5.800 3.929 2.579 5.537 . 0 0 "[ . 1 ]" 1
792 1 175 THR HA 1 182 LEU QD 0.000 . 7.500 4.534 3.377 5.693 . 0 0 "[ . 1 ]" 1
793 1 175 THR H 1 176 LEU H 0.000 . 3.500 2.092 2.011 2.221 . 0 0 "[ . 1 ]" 1
794 1 176 LEU HA 1 179 LYS H 0.000 . 5.000 6.722 5.786 7.686 2.686 10 14 [*********+***-] 1
795 1 176 LEU HA 1 182 LEU QD 0.000 . 4.800 4.312 3.172 6.099 1.299 5 2 "[ + 1 -]" 1
796 1 176 LEU H 1 177 ALA H 0.000 . 5.000 2.625 2.410 2.839 . 0 0 "[ . 1 ]" 1
797 1 177 ALA HA 1 178 ASN H 0.000 . 3.500 3.519 3.443 3.559 0.059 10 0 "[ . 1 ]" 1
798 1 177 ALA MB 1 178 ASN H 0.000 . 4.500 1.966 1.672 2.606 . 0 0 "[ . 1 ]" 1
799 1 177 ALA H 1 178 ASN H 0.000 . 2.900 3.045 2.546 3.447 0.547 11 2 "[ - 1+ ]" 1
800 1 178 ASN HA 1 179 LYS H 0.000 . 3.500 2.205 2.135 2.336 . 0 0 "[ . 1 ]" 1
801 1 178 ASN QB 1 179 LYS HA 0.000 . 6.500 4.470 4.354 4.630 . 0 0 "[ . 1 ]" 1
802 1 178 ASN QB 1 179 LYS QB 0.000 . 7.500 5.009 4.249 5.350 . 0 0 "[ . 1 ]" 1
803 1 178 ASN QB 1 179 LYS H 0.000 . 4.400 3.447 2.582 3.830 . 0 0 "[ . 1 ]" 1
804 1 179 LYS HA 1 182 LEU QD 0.000 . 6.500 3.268 2.304 4.614 . 0 0 "[ . 1 ]" 1
805 1 179 LYS QB 1 182 LEU QD 0.000 . 7.500 3.989 2.480 4.898 . 0 0 "[ . 1 ]" 1
806 1 179 LYS H 1 182 LEU QD 0.000 . 6.500 5.499 4.581 6.735 0.235 5 0 "[ . 1 ]" 1
807 1 180 GLU HA 1 183 ARG H 0.000 . 5.000 3.926 3.301 4.339 . 0 0 "[ . 1 ]" 1
808 1 181 ILE HA 1 182 LEU H 0.000 . 5.000 3.517 3.387 3.575 . 0 0 "[ . 1 ]" 1
809 1 181 ILE HA 1 184 LEU H 0.000 . 5.000 3.427 3.048 3.797 . 0 0 "[ . 1 ]" 1
810 1 181 ILE HB 1 182 LEU HA 0.000 . 6.000 4.367 4.069 4.634 . 0 0 "[ . 1 ]" 1
811 1 181 ILE HB 1 182 LEU QD 0.000 . 7.500 4.277 2.366 5.377 . 0 0 "[ . 1 ]" 1
812 1 181 ILE HB 1 182 LEU H 0.000 . 6.000 2.620 2.105 3.213 . 0 0 "[ . 1 ]" 1
813 1 181 ILE H 1 182 LEU H 0.000 . 3.500 2.510 2.295 2.788 . 0 0 "[ . 1 ]" 1
814 1 182 LEU HA 1 183 ARG H 0.000 . 5.000 3.466 3.348 3.566 . 0 0 "[ . 1 ]" 1
815 1 182 LEU HA 1 185 ILE MD 0.000 . 6.500 3.647 2.678 3.956 . 0 0 "[ . 1 ]" 1
816 1 182 LEU HA 1 185 ILE H 0.000 . 5.000 3.992 3.413 4.419 . 0 0 "[ . 1 ]" 1
817 1 182 LEU HA 1 186 GLN QG 0.000 . 6.500 5.482 3.890 9.605 3.105 12 1 "[ . 1 + ]" 1
818 1 182 LEU QD 1 186 GLN QG 0.000 . 7.500 4.634 2.725 8.487 0.987 12 1 "[ . 1 + ]" 1
819 1 182 LEU H 1 183 ARG QD 0.000 . 7.400 6.199 5.571 6.975 . 0 0 "[ . 1 ]" 1
820 1 182 LEU H 1 183 ARG H 0.000 . 3.500 2.836 2.598 3.022 . 0 0 "[ . 1 ]" 1
821 1 183 ARG HA 1 186 GLN H 0.000 . 5.000 4.283 3.791 5.042 0.042 12 0 "[ . 1 ]" 1
822 1 183 ARG QB 1 184 LEU H 0.000 . 3.900 2.633 1.915 3.726 . 0 0 "[ . 1 ]" 1
823 1 183 ARG QD 1 184 LEU H 0.000 . 7.400 4.699 3.036 5.418 . 0 0 "[ . 1 ]" 1
824 1 183 ARG H 1 184 LEU H 0.000 . 3.500 2.600 2.305 2.852 . 0 0 "[ . 1 ]" 1
825 1 184 LEU HA 1 187 PHE H 0.000 . 5.000 7.097 5.732 8.448 3.448 2 14 [*+******-*****] 1
826 1 184 LEU H 1 185 ILE H 0.000 . 3.500 2.542 2.224 2.845 . 0 0 "[ . 1 ]" 1
827 1 185 ILE H 1 186 GLN H 0.000 . 2.900 2.822 2.336 3.431 0.531 12 1 "[ . 1 + ]" 1
828 1 186 GLN QG 1 187 PHE QB 0.000 . 7.500 4.788 3.238 6.083 . 0 0 "[ . 1 ]" 1
829 1 186 GLN H 1 187 PHE H 0.000 . 3.500 4.180 2.769 4.666 1.166 13 10 "[-* ***** 1* +*]" 1
830 1 187 PHE HA 1 188 GLU H 0.000 . 3.500 2.670 2.136 3.395 . 0 0 "[ . 1 ]" 1
831 1 187 PHE QB 1 188 GLU H 0.000 . 4.500 3.668 3.251 3.915 . 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 108
_Distance_constraint_stats_list.Viol_count 614
_Distance_constraint_stats_list.Viol_total 15178.463
_Distance_constraint_stats_list.Viol_max 8.528
_Distance_constraint_stats_list.Viol_rms 1.8236
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7170
_Distance_constraint_stats_list.Viol_average_violations_only 1.7658
_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 8 LEU 0.046 0.020 14 0 "[ . 1 ]"
1 9 SER 0.000 0.000 . 0 "[ . 1 ]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 11 GLU 0.244 0.049 1 0 "[ . 1 ]"
1 12 ILE 1.141 0.115 1 0 "[ . 1 ]"
1 13 LEU 16.351 2.110 13 11 "[***-**** ** + ]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 15 GLU 0.244 0.049 1 0 "[ . 1 ]"
1 16 LEU 1.096 0.115 1 0 "[ . 1 ]"
1 17 GLN 16.351 2.110 13 11 "[***-**** ** + ]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 28 SER 0.241 0.045 2 0 "[ . 1 ]"
1 29 SER 0.064 0.027 9 0 "[ . 1 ]"
1 30 TRP 0.165 0.067 9 0 "[ . 1 ]"
1 31 TYR 0.478 0.107 6 0 "[ . 1 ]"
1 32 GLN 0.655 0.078 3 0 "[ . 1 ]"
1 33 SER 2.485 0.170 11 0 "[ . 1 ]"
1 34 PHE 0.938 0.118 1 0 "[ . 1 ]"
1 35 LEU 22.542 2.163 3 14 [**+******-****]
1 36 LYS 0.414 0.078 3 0 "[ . 1 ]"
1 37 GLU 2.421 0.170 11 0 "[ . 1 ]"
1 38 CYS 0.773 0.118 1 0 "[ . 1 ]"
1 39 PRO 22.064 2.163 3 14 [**+******-****]
1 44 THR 352.750 7.826 9 14 [********+-****]
1 45 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 46 GLN 12.558 0.934 9 9 "[****- +** *]"
1 48 PHE 0.011 0.011 12 0 "[ . 1 ]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 50 THR 12.567 0.934 9 9 "[****- +** *]"
1 51 ILE 0.044 0.044 11 0 "[ . 1 ]"
1 52 TYR 0.011 0.011 12 0 "[ . 1 ]"
1 53 SER 2.879 0.734 4 2 "[- +. 1 ]"
1 54 LYS 0.009 0.006 2 0 "[ . 1 ]"
1 55 PHE 0.044 0.044 11 0 "[ . 1 ]"
1 56 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 57 PRO 2.879 0.734 4 2 "[- +. 1 ]"
1 68 VAL 1.307 0.191 11 0 "[ . 1 ]"
1 69 PHE 39.284 2.971 2 14 [*+***********-]
1 72 PHE 1.307 0.191 11 0 "[ . 1 ]"
1 73 ASP 39.284 2.971 2 14 [*+***********-]
1 81 ASP 352.750 7.826 9 14 [********+-****]
1 84 GLN 0.086 0.031 2 0 "[ . 1 ]"
1 85 TYR 0.052 0.051 6 0 "[ . 1 ]"
1 86 VAL 0.103 0.103 9 0 "[ . 1 ]"
1 88 ALA 0.086 0.031 2 0 "[ . 1 ]"
1 89 LEU 0.052 0.051 6 0 "[ . 1 ]"
1 90 HIS 0.103 0.103 9 0 "[ . 1 ]"
1 102 GLU 4.646 0.800 1 4 "[+ . *1- * ]"
1 104 ALA 0.493 0.068 12 0 "[ . 1 ]"
1 105 PHE 25.500 1.395 3 13 [**+******1-***]
1 107 LEU 0.493 0.068 12 0 "[ . 1 ]"
1 108 TYR 20.854 1.395 3 13 [*-+******1****]
1 117 SER 397.014 8.528 3 14 [**+********-**]
1 118 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 119 ASN 7.411 0.648 11 2 "[ - . 1+ ]"
1 121 VAL 0.029 0.015 4 0 "[ . 1 ]"
1 122 LEU 0.003 0.003 13 0 "[ . 1 ]"
1 123 GLU 7.411 0.648 11 2 "[ - . 1+ ]"
1 124 ILE 0.176 0.046 13 0 "[ . 1 ]"
1 125 VAL 0.029 0.015 4 0 "[ . 1 ]"
1 126 THR 0.003 0.003 13 0 "[ . 1 ]"
1 127 ALA 0.126 0.071 6 0 "[ . 1 ]"
1 128 ILE 1.730 0.127 13 0 "[ . 1 ]"
1 129 PHE 68.820 3.624 5 14 [*-**+*********]
1 130 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 131 MET 0.126 0.071 6 0 "[ . 1 ]"
1 132 ILE 1.554 0.127 13 0 "[ . 1 ]"
1 133 SER 68.820 3.624 5 14 [*-**+*********]
1 147 PRO 0.592 0.206 5 0 "[ . 1 ]"
1 151 ALA 0.838 0.206 5 0 "[ . 1 ]"
1 152 GLU 0.105 0.030 11 0 "[ . 1 ]"
1 153 LYS 0.245 0.123 3 0 "[ . 1 ]"
1 154 ILE 9.746 1.513 3 4 "[ -+*. 1* ]"
1 155 TRP 0.246 0.042 8 0 "[ . 1 ]"
1 156 GLY 86.774 4.476 9 14 [****-***+*****]
1 157 PHE 0.245 0.123 3 0 "[ . 1 ]"
1 158 PHE 9.746 1.513 3 4 "[ -+*. 1* ]"
1 160 LYS 86.669 4.476 9 14 [****-***+*****]
1 167 THR 397.014 8.528 3 14 [**+********-**]
1 173 GLU 0.009 0.009 5 0 "[ . 1 ]"
1 174 GLY 32.000 1.935 4 13 "[* *+***-******]"
1 177 ALA 0.009 0.009 5 0 "[ . 1 ]"
1 178 ASN 32.000 1.935 4 13 "[* *+***-******]"
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 8 LEU O 1 12 ILE H 0.000 . 2.300 1.966 1.582 2.320 0.020 14 0 "[ . 1 ]" 2
2 1 8 LEU O 1 12 ILE N 0.000 . 3.300 2.864 2.551 3.190 . 0 0 "[ . 1 ]" 2
3 1 9 SER O 1 13 LEU H 0.000 . 2.300 1.790 1.634 2.049 . 0 0 "[ . 1 ]" 2
4 1 9 SER O 1 13 LEU N 0.000 . 3.300 2.739 2.556 2.996 . 0 0 "[ . 1 ]" 2
5 1 10 LYS O 1 14 GLU H 0.000 . 2.300 1.941 1.518 2.228 . 0 0 "[ . 1 ]" 2
6 1 10 LYS O 1 14 GLU N 0.000 . 3.300 2.746 2.429 3.078 . 0 0 "[ . 1 ]" 2
7 1 11 GLU O 1 15 GLU H 0.000 . 2.300 2.266 2.002 2.349 0.049 1 0 "[ . 1 ]" 2
8 1 11 GLU O 1 15 GLU N 0.000 . 3.300 3.172 2.942 3.312 0.012 13 0 "[ . 1 ]" 2
9 1 12 ILE O 1 16 LEU H 0.000 . 2.300 2.319 1.860 2.415 0.115 1 0 "[ . 1 ]" 2
10 1 12 ILE O 1 16 LEU N 0.000 . 3.300 3.246 2.784 3.362 0.062 11 0 "[ . 1 ]" 2
11 1 13 LEU O 1 17 GLN H 0.000 . 2.300 3.192 2.591 4.410 2.110 13 11 "[***-**** ** + ]" 2
12 1 13 LEU O 1 17 GLN N 0.000 . 3.300 3.574 3.272 4.282 0.982 13 3 "[ - . * 1 + ]" 2
13 1 26 GLU O 1 30 TRP H 0.000 . 2.300 1.978 1.755 2.279 . 0 0 "[ . 1 ]" 2
14 1 26 GLU O 1 30 TRP N 0.000 . 3.300 2.932 2.732 3.201 . 0 0 "[ . 1 ]" 2
15 1 27 LEU O 1 31 TYR H 0.000 . 2.300 1.579 1.461 1.849 . 0 0 "[ . 1 ]" 2
16 1 27 LEU O 1 31 TYR N 0.000 . 3.300 2.499 2.396 2.695 . 0 0 "[ . 1 ]" 2
17 1 28 SER O 1 32 GLN H 0.000 . 2.300 2.229 1.857 2.345 0.045 2 0 "[ . 1 ]" 2
18 1 28 SER O 1 32 GLN N 0.000 . 3.300 3.148 2.835 3.320 0.020 8 0 "[ . 1 ]" 2
19 1 29 SER O 1 33 SER H 0.000 . 2.300 2.180 1.911 2.327 0.027 9 0 "[ . 1 ]" 2
20 1 29 SER O 1 33 SER N 0.000 . 3.300 3.000 2.786 3.164 . 0 0 "[ . 1 ]" 2
21 1 30 TRP O 1 34 PHE H 0.000 . 2.300 2.243 1.954 2.367 0.067 9 0 "[ . 1 ]" 2
22 1 30 TRP O 1 34 PHE N 0.000 . 3.300 2.738 2.520 2.884 . 0 0 "[ . 1 ]" 2
23 1 31 TYR O 1 35 LEU H 0.000 . 2.300 2.246 1.710 2.407 0.107 6 0 "[ . 1 ]" 2
24 1 31 TYR O 1 35 LEU N 0.000 . 3.300 3.143 2.680 3.311 0.011 3 0 "[ . 1 ]" 2
25 1 32 GLN O 1 36 LYS H 0.000 . 2.300 2.296 2.127 2.378 0.078 3 0 "[ . 1 ]" 2
26 1 32 GLN O 1 36 LYS N 0.000 . 3.300 3.030 2.857 3.137 . 0 0 "[ . 1 ]" 2
27 1 33 SER O 1 37 GLU H 0.000 . 2.300 2.427 2.387 2.470 0.170 11 0 "[ . 1 ]" 2
28 1 33 SER O 1 37 GLU N 0.000 . 3.300 3.345 3.300 3.399 0.099 11 0 "[ . 1 ]" 2
29 1 34 PHE O 1 38 CYS H 0.000 . 2.300 2.336 2.150 2.418 0.118 1 0 "[ . 1 ]" 2
30 1 34 PHE O 1 38 CYS N 0.000 . 3.300 3.220 3.004 3.319 0.019 1 0 "[ . 1 ]" 2
31 1 35 LEU O 1 39 PRO N 0.000 . 3.300 4.876 4.383 5.463 2.163 3 14 [**+******-****] 2
32 1 44 THR O 1 81 ASP H 0.000 . 2.300 9.935 9.364 10.126 7.826 9 14 [***-****+*****] 2
33 1 44 THR O 1 81 ASP N 0.000 . 3.300 9.256 8.773 9.428 6.128 9 14 [***-****+*****] 2
34 1 45 ARG O 1 49 GLN H 0.000 . 2.300 1.928 1.627 2.297 . 0 0 "[ . 1 ]" 2
35 1 45 ARG O 1 49 GLN N 0.000 . 3.300 2.877 2.607 3.230 . 0 0 "[ . 1 ]" 2
36 1 46 GLN O 1 50 THR H 0.000 . 2.300 2.767 1.826 3.234 0.934 9 9 "[****- +** *]" 2
37 1 46 GLN O 1 50 THR N 0.000 . 3.300 3.611 2.701 3.982 0.682 9 7 "[*- *. +** *]" 2
38 1 48 PHE O 1 52 TYR H 0.000 . 2.300 1.931 1.721 2.311 0.011 12 0 "[ . 1 ]" 2
39 1 48 PHE O 1 52 TYR N 0.000 . 3.300 2.861 2.659 3.149 . 0 0 "[ . 1 ]" 2
40 1 49 GLN O 1 53 SER H 0.000 . 2.300 1.879 1.532 2.299 . 0 0 "[ . 1 ]" 2
41 1 49 GLN O 1 53 SER N 0.000 . 3.300 2.831 2.520 3.242 . 0 0 "[ . 1 ]" 2
42 1 50 THR O 1 54 LYS H 0.000 . 2.300 2.130 1.748 2.306 0.006 2 0 "[ . 1 ]" 2
43 1 50 THR O 1 54 LYS N 0.000 . 3.300 3.009 2.643 3.270 . 0 0 "[ . 1 ]" 2
44 1 51 ILE O 1 55 PHE H 0.000 . 2.300 2.074 1.699 2.344 0.044 11 0 "[ . 1 ]" 2
45 1 51 ILE O 1 55 PHE N 0.000 . 3.300 2.849 2.592 2.998 . 0 0 "[ . 1 ]" 2
46 1 52 TYR O 1 56 PHE H 0.000 . 2.300 1.847 1.713 2.006 . 0 0 "[ . 1 ]" 2
47 1 52 TYR O 1 56 PHE N 0.000 . 3.300 2.700 2.521 2.845 . 0 0 "[ . 1 ]" 2
48 1 53 SER O 1 57 PRO N 0.000 . 3.300 3.469 3.068 4.034 0.734 4 2 "[- +. 1 ]" 2
49 1 68 VAL O 1 72 PHE H 0.000 . 2.300 2.369 2.141 2.491 0.191 11 0 "[ . 1 ]" 2
50 1 68 VAL O 1 72 PHE N 0.000 . 3.300 3.210 3.039 3.380 0.080 11 0 "[ . 1 ]" 2
51 1 69 PHE O 1 73 ASP H 0.000 . 2.300 3.881 3.156 5.271 2.971 2 14 [*+***********-] 2
52 1 69 PHE O 1 73 ASP N 0.000 . 3.300 4.525 3.879 5.535 2.235 2 14 [*+***********-] 2
53 1 44 THR H 1 81 ASP O 0.000 . 2.300 8.858 8.255 9.124 6.824 2 14 [*+*******-****] 2
54 1 44 THR N 1 81 ASP O 0.000 . 3.300 8.347 7.826 8.581 5.281 2 14 [*+*******-****] 2
55 1 84 GLN O 1 88 ALA H 0.000 . 2.300 2.233 1.952 2.331 0.031 2 0 "[ . 1 ]" 2
56 1 84 GLN O 1 88 ALA N 0.000 . 3.300 3.161 2.926 3.294 . 0 0 "[ . 1 ]" 2
57 1 85 TYR O 1 89 LEU H 0.000 . 2.300 2.086 1.772 2.351 0.051 6 0 "[ . 1 ]" 2
58 1 85 TYR O 1 89 LEU N 0.000 . 3.300 3.012 2.754 3.283 . 0 0 "[ . 1 ]" 2
59 1 86 VAL O 1 90 HIS H 0.000 . 2.300 2.130 1.998 2.403 0.103 9 0 "[ . 1 ]" 2
60 1 86 VAL O 1 90 HIS N 0.000 . 3.300 2.986 2.899 3.255 . 0 0 "[ . 1 ]" 2
61 1 102 GLU O 1 105 PHE H 0.000 . 2.300 2.493 1.896 3.100 0.800 1 4 "[+ . *1- * ]" 2
62 1 102 GLU O 1 105 PHE N 0.000 . 3.300 3.145 2.639 3.718 0.418 1 0 "[ . 1 ]" 2
63 1 104 ALA O 1 107 LEU H 0.000 . 2.300 2.334 2.278 2.368 0.068 12 0 "[ . 1 ]" 2
64 1 104 ALA O 1 107 LEU N 0.000 . 3.300 2.868 2.736 2.966 . 0 0 "[ . 1 ]" 2
65 1 105 PHE O 1 108 TYR H 0.000 . 2.300 3.275 2.300 3.695 1.395 3 13 [-*+******1****] 2
66 1 105 PHE O 1 108 TYR N 0.000 . 3.300 3.789 2.951 4.203 0.903 3 9 "[ -+ .****1** *]" 2
67 1 117 SER O 1 167 THR H 0.000 . 2.300 10.583 10.363 10.828 8.528 3 14 [**+***-*******] 2
68 1 117 SER O 1 167 THR N 0.000 . 3.300 10.051 9.831 10.289 6.989 1 14 [+*****-*******] 2
69 1 118 LYS O 1 122 LEU H 0.000 . 2.300 2.042 1.801 2.297 . 0 0 "[ . 1 ]" 2
70 1 118 LYS O 1 122 LEU N 0.000 . 3.300 2.897 2.654 3.148 . 0 0 "[ . 1 ]" 2
71 1 119 ASN O 1 123 GLU H 0.000 . 2.300 2.601 2.078 2.948 0.648 11 2 "[ - . 1+ ]" 2
72 1 119 ASN O 1 123 GLU N 0.000 . 3.300 3.471 2.960 3.863 0.563 11 1 "[ . 1+ ]" 2
73 1 121 VAL O 1 125 VAL H 0.000 . 2.300 2.107 1.788 2.315 0.015 4 0 "[ . 1 ]" 2
74 1 121 VAL O 1 125 VAL N 0.000 . 3.300 3.056 2.740 3.292 . 0 0 "[ . 1 ]" 2
75 1 122 LEU O 1 126 THR H 0.000 . 2.300 1.873 1.524 2.303 0.003 13 0 "[ . 1 ]" 2
76 1 122 LEU O 1 126 THR N 0.000 . 3.300 2.809 2.426 3.257 . 0 0 "[ . 1 ]" 2
77 1 123 GLU O 1 127 ALA H 0.000 . 2.300 1.719 1.480 2.099 . 0 0 "[ . 1 ]" 2
78 1 123 GLU O 1 127 ALA N 0.000 . 3.300 2.673 2.447 3.004 . 0 0 "[ . 1 ]" 2
79 1 124 ILE O 1 128 ILE H 0.000 . 2.300 2.265 2.066 2.346 0.046 13 0 "[ . 1 ]" 2
80 1 124 ILE O 1 128 ILE N 0.000 . 3.300 3.197 3.002 3.308 0.008 2 0 "[ . 1 ]" 2
81 1 125 VAL O 1 129 PHE H 0.000 . 2.300 2.026 1.643 2.230 . 0 0 "[ . 1 ]" 2
82 1 125 VAL O 1 129 PHE N 0.000 . 3.300 2.970 2.563 3.206 . 0 0 "[ . 1 ]" 2
83 1 126 THR O 1 130 LYS H 0.000 . 2.300 1.642 1.478 1.863 . 0 0 "[ . 1 ]" 2
84 1 126 THR O 1 130 LYS N 0.000 . 3.300 2.575 2.388 2.830 . 0 0 "[ . 1 ]" 2
85 1 127 ALA O 1 131 MET H 0.000 . 2.300 2.192 2.045 2.371 0.071 6 0 "[ . 1 ]" 2
86 1 127 ALA O 1 131 MET N 0.000 . 3.300 3.090 2.973 3.287 . 0 0 "[ . 1 ]" 2
87 1 128 ILE O 1 132 ILE H 0.000 . 2.300 2.380 2.290 2.427 0.127 13 0 "[ . 1 ]" 2
88 1 128 ILE O 1 132 ILE N 0.000 . 3.300 3.327 3.255 3.420 0.120 13 0 "[ . 1 ]" 2
89 1 129 PHE O 1 133 SER H 0.000 . 2.300 5.534 5.098 5.924 3.624 5 14 [*-**+*********] 2
90 1 129 PHE O 1 133 SER N 0.000 . 3.300 4.982 4.524 5.349 2.049 5 14 [*-**+*********] 2
91 1 147 PRO O 1 151 ALA H 0.000 . 2.300 1.986 1.552 2.506 0.206 5 0 "[ . 1 ]" 2
92 1 147 PRO O 1 151 ALA N 0.000 . 3.300 2.885 2.529 3.320 0.020 2 0 "[ . 1 ]" 2
93 1 151 ALA O 1 155 TRP H 0.000 . 2.300 2.316 2.279 2.342 0.042 8 0 "[ . 1 ]" 2
94 1 151 ALA O 1 155 TRP N 0.000 . 3.300 3.134 2.990 3.235 . 0 0 "[ . 1 ]" 2
95 1 152 GLU O 1 156 GLY H 0.000 . 2.300 2.232 2.048 2.330 0.030 11 0 "[ . 1 ]" 2
96 1 152 GLU O 1 156 GLY N 0.000 . 3.300 2.882 2.704 3.025 . 0 0 "[ . 1 ]" 2
97 1 153 LYS O 1 157 PHE H 0.000 . 2.300 2.269 1.996 2.423 0.123 3 0 "[ . 1 ]" 2
98 1 153 LYS O 1 157 PHE N 0.000 . 3.300 2.970 2.725 3.156 . 0 0 "[ . 1 ]" 2
99 1 154 ILE O 1 158 PHE H 0.000 . 2.300 2.713 2.333 3.813 1.513 3 4 "[ -+*. 1* ]" 2
100 1 154 ILE O 1 158 PHE N 0.000 . 3.300 3.577 3.258 4.417 1.117 3 2 "[ +-. 1 ]" 2
101 1 156 GLY O 1 160 LYS H 0.000 . 2.300 5.799 4.445 6.776 4.476 9 14 [****-***+*****] 2
102 1 156 GLY O 1 160 LYS N 0.000 . 3.300 5.992 5.010 6.717 3.417 10 14 [****-****+****] 2
103 1 117 SER H 1 167 THR O 0.000 . 2.300 9.636 8.995 10.186 7.886 11 14 [**********+-**] 2
104 1 117 SER N 1 167 THR O 0.000 . 3.300 9.287 8.630 9.757 6.457 11 14 [**********+-**] 2
105 1 173 GLU O 1 177 ALA H 0.000 . 2.300 2.104 1.760 2.309 0.009 5 0 "[ . 1 ]" 2
106 1 173 GLU O 1 177 ALA N 0.000 . 3.300 3.008 2.670 3.240 . 0 0 "[ . 1 ]" 2
107 1 174 GLY O 1 178 ASN H 0.000 . 2.300 3.556 2.653 4.235 1.935 4 13 "[* *+*****-****]" 2
108 1 174 GLY O 1 178 ASN N 0.000 . 3.300 4.330 3.517 4.986 1.686 13 12 "[* *****-*1**+*]" 2
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