NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
647843 |
6lag   |
36299 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6lag
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 1103
_Distance_constraint_stats_list.Viol_count 1851
_Distance_constraint_stats_list.Viol_total 5613.010
_Distance_constraint_stats_list.Viol_max 0.984
_Distance_constraint_stats_list.Viol_rms 0.0706
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0127
_Distance_constraint_stats_list.Viol_average_violations_only 0.1516
_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 21 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 2.009 0.272 17 0 "[ . 1 . 2]"
1 24 ASN 0.889 0.272 17 0 "[ . 1 . 2]"
1 25 GLN 12.444 0.655 5 19 "[***-+************* *]"
1 26 GLU 13.955 0.655 5 19 "[***-+************* *]"
1 27 LEU 21.619 0.984 20 20 [**-****************+]
1 28 VAL 23.434 0.984 20 20 [**-****************+]
1 29 LEU 2.628 0.133 8 0 "[ . 1 . 2]"
1 30 SER 2.306 0.093 5 0 "[ . 1 . 2]"
1 31 ASP 4.325 0.132 11 0 "[ . 1 . 2]"
1 32 HIS 1.446 0.077 7 0 "[ . 1 . 2]"
1 33 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 2.147 0.121 6 0 "[ . 1 . 2]"
1 35 SER 3.749 0.121 6 0 "[ . 1 . 2]"
1 36 LEU 1.776 0.099 3 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.012 0.012 20 0 "[ . 1 . 2]"
1 39 TYR 0.150 0.130 20 0 "[ . 1 . 2]"
1 40 LEU 1.603 0.096 5 0 "[ . 1 . 2]"
1 41 SER 2.995 0.100 20 0 "[ . 1 . 2]"
1 42 ALA 3.161 0.130 20 0 "[ . 1 . 2]"
1 43 THR 2.250 0.106 14 0 "[ . 1 . 2]"
1 44 SER 0.695 0.090 12 0 "[ . 1 . 2]"
1 45 ARG 0.870 0.111 20 0 "[ . 1 . 2]"
1 46 ASP 1.464 0.206 20 0 "[ . 1 . 2]"
1 47 GLY 0.594 0.206 20 0 "[ . 1 . 2]"
1 48 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 PRO 11.788 0.690 17 19 "[*-**************+ **]"
1 50 LYS 12.805 0.690 17 19 "[*-**************+ **]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 1.392 0.398 14 0 "[ . 1 . 2]"
1 56 ALA 4.100 0.398 14 0 "[ . 1 . 2]"
1 57 ARG 3.439 0.373 10 0 "[ . 1 . 2]"
1 58 ASP 1.741 0.087 14 0 "[ . 1 . 2]"
1 59 LYS 2.281 0.097 12 0 "[ . 1 . 2]"
1 60 LEU 1.397 0.097 12 0 "[ . 1 . 2]"
1 61 GLN 1.238 0.071 7 0 "[ . 1 . 2]"
1 62 ARG 9.477 0.690 12 10 "[ *. **1*+**.-* *]"
1 63 LEU 8.970 0.690 12 11 "[ *. ***1*+**.-* *]"
1 64 THR 1.646 0.120 1 0 "[ . 1 . 2]"
1 65 GLU 1.255 0.089 19 0 "[ . 1 . 2]"
1 66 VAL 12.847 0.312 5 0 "[ . 1 . 2]"
1 67 GLN 7.893 0.237 3 0 "[ . 1 . 2]"
1 68 PHE 1.271 0.068 11 0 "[ . 1 . 2]"
1 69 LEU 7.710 0.312 5 0 "[ . 1 . 2]"
1 70 GLU 1.710 0.096 1 0 "[ . 1 . 2]"
1 71 LEU 0.162 0.079 2 0 "[ . 1 . 2]"
1 72 SER 0.162 0.079 2 0 "[ . 1 . 2]"
1 73 THR 3.539 0.224 9 0 "[ . 1 . 2]"
1 74 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.051 0.051 9 0 "[ . 1 . 2]"
1 76 TYR 16.423 0.728 1 20 [+***********-*******]
1 77 ASP 5.742 0.224 9 0 "[ . 1 . 2]"
1 78 GLU 0.016 0.016 17 0 "[ . 1 . 2]"
1 79 LEU 4.012 0.262 2 0 "[ . 1 . 2]"
1 80 LYS 1.523 0.093 4 0 "[ . 1 . 2]"
1 81 ARG 3.227 0.111 13 0 "[ . 1 . 2]"
1 82 ARG 2.142 0.111 13 0 "[ . 1 . 2]"
1 83 GLU 1.697 0.096 7 0 "[ . 1 . 2]"
1 84 GLN 3.234 0.096 7 0 "[ . 1 . 2]"
1 85 VAL 3.296 0.103 8 0 "[ . 1 . 2]"
1 86 ALA 3.225 0.103 5 0 "[ . 1 . 2]"
1 87 ARG 13.943 0.681 4 17 "[***+. ******-******2]"
1 88 ARG 24.827 0.681 4 20 [***+********-*******]
1 89 GLY 12.640 0.675 5 19 "[ ***+-**************]"
1 90 PRO 0.234 0.086 5 0 "[ . 1 . 2]"
1 91 ASN 1.882 0.228 18 0 "[ . 1 . 2]"
1 92 ALA 2.363 0.228 18 0 "[ . 1 . 2]"
1 93 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 PRO 12.273 0.631 10 20 [*****-***+**********]
1 95 GLU 17.175 0.631 10 20 [*****-***+**********]
1 96 THR 11.025 0.319 6 0 "[ . 1 . 2]"
1 97 ALA 8.948 0.319 6 0 "[ . 1 . 2]"
1 98 PRO 0.302 0.103 8 0 "[ . 1 . 2]"
1 99 PRO 3.405 0.483 8 0 "[ . 1 . 2]"
1 100 ASP 1.131 0.483 8 0 "[ . 1 . 2]"
1 101 PHE 5.993 0.778 8 4 "[ .- +*1 * . 2]"
1 102 LEU 0.356 0.356 20 0 "[ . 1 . 2]"
1 103 LEU 4.118 0.946 6 4 "[ .+ 1 -* * 2]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLN 9.420 0.892 4 11 "[* *+. 1*- ** ****]"
1 106 ASP 0.927 0.195 3 0 "[ . 1 . 2]"
1 107 ASN 0.829 0.064 11 0 "[ . 1 . 2]"
1 108 PHE 13.645 0.892 4 11 "[* *+. 1*- ** ****]"
1 109 HIS 0.203 0.027 4 0 "[ . 1 . 2]"
1 110 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LYS 14.484 0.877 3 17 "[**+**** ***** -****2]"
1 112 ARG 2.903 0.090 14 0 "[ . 1 . 2]"
1 113 ASN 1.494 0.086 3 0 "[ . 1 . 2]"
1 114 GLN 0.880 0.053 7 0 "[ . 1 . 2]"
1 115 ALA 15.751 0.877 3 17 "[**+**** ***** -****2]"
1 116 ARG 2.041 0.133 18 0 "[ . 1 . 2]"
1 117 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 LYS 1.615 0.098 12 0 "[ . 1 . 2]"
1 119 LEU 3.513 0.133 18 0 "[ . 1 . 2]"
1 120 SER 2.536 0.103 8 0 "[ . 1 . 2]"
1 121 SER 1.652 0.091 13 0 "[ . 1 . 2]"
1 122 LEU 1.413 0.135 2 0 "[ . 1 . 2]"
1 124 PRO 2.709 0.303 2 0 "[ . 1 . 2]"
1 125 PRO 0.043 0.031 20 0 "[ . 1 . 2]"
1 126 ARG 1.541 0.087 13 0 "[ . 1 . 2]"
1 127 PHE 9.962 0.303 2 0 "[ . 1 . 2]"
1 128 ARG 2.017 0.143 6 0 "[ . 1 . 2]"
1 129 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 LEU 1.327 0.071 3 0 "[ . 1 . 2]"
1 131 ALA 1.391 0.071 3 0 "[ . 1 . 2]"
1 132 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ASP 0.267 0.067 20 0 "[ . 1 . 2]"
1 134 VAL 0.115 0.069 13 0 "[ . 1 . 2]"
1 135 PHE 0.471 0.062 10 0 "[ . 1 . 2]"
1 136 CYS 1.842 0.104 9 0 "[ . 1 . 2]"
1 137 GLU 1.588 0.104 9 0 "[ . 1 . 2]"
1 138 LEU 0.684 0.133 8 0 "[ . 1 . 2]"
1 139 GLU 4.664 0.171 3 0 "[ . 1 . 2]"
1 140 ARG 0.012 0.011 3 0 "[ . 1 . 2]"
1 141 ARG 1.598 0.093 18 0 "[ . 1 . 2]"
1 142 TYR 6.102 0.171 3 0 "[ . 1 . 2]"
1 143 PRO 0.673 0.093 20 0 "[ . 1 . 2]"
1 144 ASN 2.545 0.544 18 1 "[ . 1 . + 2]"
1 145 PHE 2.013 0.336 1 0 "[ . 1 . 2]"
1 146 ALA 2.903 0.544 18 1 "[ . 1 . + 2]"
1 147 ASN 1.559 0.085 12 0 "[ . 1 . 2]"
1 148 LEU 10.421 0.511 6 1 "[ .+ 1 . 2]"
1 149 GLU 9.324 0.685 19 2 "[ .- 1 . +2]"
1 150 MET 1.665 0.685 19 1 "[ . 1 . +2]"
1 151 PRO 0.480 0.480 9 0 "[ . 1 . 2]"
1 152 LEU 1.807 0.480 9 0 "[ . 1 . 2]"
1 153 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 155 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 MET HA 1 22 GLY H 2.900 . 2.900 2.292 2.177 2.675 . 0 0 "[ . 1 . 2]" 1
2 1 22 GLY QA 1 23 GLU H 2.900 . 3.900 2.369 2.306 2.956 . 0 0 "[ . 1 . 2]" 1
3 1 23 GLU H 1 23 GLU HA 2.900 . 2.900 2.941 2.290 2.987 0.087 5 0 "[ . 1 . 2]" 1
4 1 23 GLU HA 1 24 ASN H 2.900 . 2.900 2.430 2.155 3.172 0.272 17 0 "[ . 1 . 2]" 1
5 1 23 GLU H 1 23 GLU QB 2.900 . 3.500 2.713 2.438 3.416 . 0 0 "[ . 1 . 2]" 1
6 1 23 GLU QB 1 24 ASN H 5.000 . 6.000 3.050 2.569 3.942 . 0 0 "[ . 1 . 2]" 1
7 1 23 GLU H 1 23 GLU QG 2.900 . 3.900 2.974 2.200 3.205 . 0 0 "[ . 1 . 2]" 1
8 1 23 GLU QG 1 24 ASN H 5.000 . 6.000 4.242 3.920 4.829 . 0 0 "[ . 1 . 2]" 1
9 1 24 ASN HA 1 25 GLN H 2.900 . 2.900 2.372 2.140 3.089 0.189 15 0 "[ . 1 . 2]" 1
10 1 24 ASN HA 1 26 GLU H 5.000 . 5.000 3.442 3.025 4.163 . 0 0 "[ . 1 . 2]" 1
11 1 24 ASN H 1 24 ASN QB 2.900 . 3.500 2.609 2.373 3.386 . 0 0 "[ . 1 . 2]" 1
12 1 24 ASN QB 1 25 GLN H 3.500 . 4.500 3.632 2.521 4.001 . 0 0 "[ . 1 . 2]" 1
13 1 24 ASN QB 1 26 GLU H 5.000 . 6.000 3.594 2.401 4.649 . 0 0 "[ . 1 . 2]" 1
14 1 25 GLN H 1 25 GLN HA 2.900 . 2.900 2.888 2.861 2.973 0.073 4 0 "[ . 1 . 2]" 1
15 1 25 GLN HA 1 26 GLU H . . 2.900 3.488 3.346 3.555 0.655 5 19 "[***-+************* *]" 1
16 1 25 GLN HA 1 27 LEU H 5.000 . 5.000 4.120 3.827 4.322 . 0 0 "[ . 1 . 2]" 1
17 1 25 GLN HA 1 28 VAL H 3.500 . 3.500 3.092 2.963 3.237 . 0 0 "[ . 1 . 2]" 1
18 1 25 GLN H 1 25 GLN QB 2.900 . 3.500 2.554 2.461 2.923 . 0 0 "[ . 1 . 2]" 1
19 1 25 GLN QB 1 26 GLU H 2.900 . 3.900 3.425 2.552 3.741 . 0 0 "[ . 1 . 2]" 1
20 1 25 GLN QE 1 69 LEU QD 3.500 . 5.900 2.781 1.696 3.872 0.104 5 0 "[ . 1 . 2]" 1
21 1 25 GLN QE 1 29 LEU QD 5.000 . 7.400 3.621 2.582 4.719 . 0 0 "[ . 1 . 2]" 1
22 1 25 GLN H 1 25 GLN QG 2.900 . 3.900 2.302 2.166 3.035 . 0 0 "[ . 1 . 2]" 1
23 1 25 GLN QG 1 26 GLU H 3.500 . 4.500 2.958 2.419 4.139 . 0 0 "[ . 1 . 2]" 1
24 1 25 GLN H 1 26 GLU H 2.900 . 2.900 2.442 2.050 2.570 . 0 0 "[ . 1 . 2]" 1
25 1 25 GLN HA 1 28 VAL QG 2.700 . 5.100 2.682 2.547 2.880 . 0 0 "[ . 1 . 2]" 1
26 1 25 GLN QB 1 69 LEU QD 2.700 . 5.700 1.982 1.773 2.633 0.027 18 0 "[ . 1 . 2]" 1
27 1 25 GLN QG 1 69 LEU QD 2.700 . 5.700 2.794 1.844 3.545 . 0 0 "[ . 1 . 2]" 1
28 1 25 GLN QB 1 28 VAL QG 2.700 . 6.100 3.802 3.463 4.060 . 0 0 "[ . 1 . 2]" 1
29 1 26 GLU H 1 26 GLU HA 2.900 . 2.900 2.852 2.821 2.871 . 0 0 "[ . 1 . 2]" 1
30 1 26 GLU HA 1 27 LEU H 3.500 . 3.500 3.573 3.546 3.609 0.109 20 0 "[ . 1 . 2]" 1
31 1 26 GLU HA 1 29 LEU H 3.500 . 3.500 3.389 3.277 3.493 . 0 0 "[ . 1 . 2]" 1
32 1 26 GLU H 1 26 GLU QB 2.900 . 3.500 2.382 2.262 2.467 . 0 0 "[ . 1 . 2]" 1
33 1 26 GLU QB 1 27 LEU H 2.900 . 3.900 2.602 2.528 2.655 . 0 0 "[ . 1 . 2]" 1
34 1 26 GLU H 1 26 GLU QG 2.900 . 3.900 3.082 2.340 3.997 0.097 9 0 "[ . 1 . 2]" 1
35 1 26 GLU QG 1 27 LEU H 3.500 . 4.500 4.001 3.682 4.396 . 0 0 "[ . 1 . 2]" 1
36 1 26 GLU H 1 27 LEU QB 5.000 . 6.000 4.655 4.556 4.811 . 0 0 "[ . 1 . 2]" 1
37 1 26 GLU H 1 27 LEU H 2.900 . 2.900 2.589 2.497 2.725 . 0 0 "[ . 1 . 2]" 1
38 1 26 GLU H 1 28 VAL H 5.000 . 5.000 3.997 3.943 4.055 . 0 0 "[ . 1 . 2]" 1
39 1 26 GLU HA 1 145 PHE HZ 3.500 . 3.500 3.061 2.773 3.372 . 0 0 "[ . 1 . 2]" 1
40 1 26 GLU QB 1 145 PHE HZ 3.500 . 5.000 3.840 3.207 4.542 . 0 0 "[ . 1 . 2]" 1
41 1 26 GLU QG 1 145 PHE HZ 3.500 . 5.000 3.521 2.543 4.307 . 0 0 "[ . 1 . 2]" 1
42 1 26 GLU QG 1 145 PHE QE 3.500 . 5.500 3.450 2.260 4.447 . 0 0 "[ . 1 . 2]" 1
43 1 26 GLU QG 1 142 TYR QE 3.500 . 5.500 2.578 2.139 3.299 . 0 0 "[ . 1 . 2]" 1
44 1 26 GLU QB 1 142 TYR QE 3.500 . 5.500 3.829 3.285 4.238 . 0 0 "[ . 1 . 2]" 1
45 1 27 LEU HA 1 30 SER H 5.000 . 5.000 3.194 3.096 3.276 . 0 0 "[ . 1 . 2]" 1
46 1 27 LEU H 1 27 LEU HA 2.900 . 2.900 2.868 2.857 2.877 . 0 0 "[ . 1 . 2]" 1
47 1 27 LEU HA 1 28 VAL H 3.500 . 3.500 3.572 3.563 3.579 0.079 18 0 "[ . 1 . 2]" 1
48 1 27 LEU H 1 27 LEU QB 2.900 . 3.500 2.440 2.428 2.453 . 0 0 "[ . 1 . 2]" 1
49 1 27 LEU QB 1 28 VAL H 2.900 . 3.900 2.659 2.621 2.736 . 0 0 "[ . 1 . 2]" 1
50 1 27 LEU H 1 27 LEU QD 3.500 . 5.200 3.215 3.194 3.255 . 0 0 "[ . 1 . 2]" 1
51 1 27 LEU QD 1 28 VAL H 5.000 . 7.400 4.160 4.136 4.207 . 0 0 "[ . 1 . 2]" 1
52 1 27 LEU H 1 27 LEU HG 2.900 . 2.900 2.445 2.407 2.505 . 0 0 "[ . 1 . 2]" 1
53 1 27 LEU HG 1 28 VAL H . . 3.500 4.436 4.396 4.484 0.984 20 20 [**-****************+] 1
54 1 27 LEU H 1 28 VAL QG 3.500 . 5.900 4.007 3.961 4.038 . 0 0 "[ . 1 . 2]" 1
55 1 27 LEU H 1 28 VAL H . . 2.900 2.571 2.540 2.598 . 0 0 "[ . 1 . 2]" 1
56 1 28 VAL HA 1 31 ASP H 3.500 . 3.500 3.563 3.511 3.632 0.132 11 0 "[ . 1 . 2]" 1
57 1 28 VAL H 1 28 VAL HA 2.900 . 2.900 2.857 2.845 2.867 . 0 0 "[ . 1 . 2]" 1
58 1 28 VAL HA 1 29 LEU H 3.500 . 3.500 3.600 3.590 3.608 0.108 5 0 "[ . 1 . 2]" 1
59 1 28 VAL H 1 28 VAL HB 2.900 . 2.900 2.474 2.460 2.482 . 0 0 "[ . 1 . 2]" 1
60 1 28 VAL HB 1 29 LEU H 2.900 . 2.900 2.524 2.452 2.568 . 0 0 "[ . 1 . 2]" 1
61 1 28 VAL H 1 28 VAL QG 2.900 . 4.600 2.155 2.129 2.169 . 0 0 "[ . 1 . 2]" 1
62 1 28 VAL QG 1 29 LEU H 2.900 . 5.300 3.101 3.049 3.139 . 0 0 "[ . 1 . 2]" 1
63 1 28 VAL H 1 30 SER H 5.000 . 5.000 3.780 3.712 3.888 . 0 0 "[ . 1 . 2]" 1
64 1 28 VAL H 1 29 LEU H 2.900 . 2.900 2.658 2.612 2.713 . 0 0 "[ . 1 . 2]" 1
65 1 28 VAL QG 1 29 LEU HA 3.500 . 5.900 3.124 3.051 3.155 . 0 0 "[ . 1 . 2]" 1
66 1 28 VAL QG 1 29 LEU HG 3.500 . 5.900 3.515 3.346 3.638 . 0 0 "[ . 1 . 2]" 1
67 1 28 VAL QG 1 69 LEU QD 2.700 . 7.100 3.140 2.693 3.468 . 0 0 "[ . 1 . 2]" 1
68 1 28 VAL QG 1 32 HIS HE1 3.500 . 5.900 2.580 2.378 2.729 . 0 0 "[ . 1 . 2]" 1
69 1 28 VAL QG 1 32 HIS HD2 3.500 . 5.900 3.803 3.744 3.888 . 0 0 "[ . 1 . 2]" 1
70 1 29 LEU HA 1 30 SER H 3.500 . 3.500 3.520 3.491 3.554 0.054 3 0 "[ . 1 . 2]" 1
71 1 29 LEU HA 1 32 HIS H 3.500 . 3.500 2.943 2.896 3.010 . 0 0 "[ . 1 . 2]" 1
72 1 29 LEU H 1 29 LEU HA 2.900 . 2.900 2.880 2.870 2.886 . 0 0 "[ . 1 . 2]" 1
73 1 29 LEU QB 1 30 SER H 3.500 . 4.500 3.036 2.979 3.102 . 0 0 "[ . 1 . 2]" 1
74 1 29 LEU H 1 29 LEU QB 3.500 . 4.100 2.435 2.415 2.449 . 0 0 "[ . 1 . 2]" 1
75 1 29 LEU QD 1 30 SER H 5.000 . 7.400 4.352 4.323 4.383 . 0 0 "[ . 1 . 2]" 1
76 1 29 LEU QD 1 72 SER H 3.500 . 5.900 4.221 4.128 4.271 . 0 0 "[ . 1 . 2]" 1
77 1 29 LEU QD 1 72 SER HA 3.500 . 5.900 4.158 4.110 4.241 . 0 0 "[ . 1 . 2]" 1
78 1 29 LEU QD 1 72 SER QB 3.500 . 6.900 2.177 2.124 2.293 . 0 0 "[ . 1 . 2]" 1
79 1 29 LEU H 1 29 LEU QD 2.900 . 4.600 3.277 3.243 3.317 . 0 0 "[ . 1 . 2]" 1
80 1 29 LEU HG 1 30 SER H 5.000 . 5.000 4.654 4.614 4.708 . 0 0 "[ . 1 . 2]" 1
81 1 29 LEU H 1 29 LEU HG 2.900 . 2.900 2.553 2.499 2.597 . 0 0 "[ . 1 . 2]" 1
82 1 29 LEU H 1 30 SER H 2.900 . 2.900 2.546 2.510 2.618 . 0 0 "[ . 1 . 2]" 1
83 1 29 LEU H 1 31 ASP H 5.000 . 5.000 4.277 4.206 4.352 . 0 0 "[ . 1 . 2]" 1
84 1 29 LEU QB 1 145 PHE HZ 3.500 . 5.500 2.412 2.350 2.470 . 0 0 "[ . 1 . 2]" 1
85 1 29 LEU QB 1 145 PHE QE 3.500 . 5.500 2.436 2.275 2.555 . 0 0 "[ . 1 . 2]" 1
86 1 29 LEU QD 1 145 PHE HZ 3.500 . 5.900 3.686 3.593 3.775 . 0 0 "[ . 1 . 2]" 1
87 1 29 LEU QD 1 145 PHE QE 3.500 . 5.900 3.484 3.360 3.575 . 0 0 "[ . 1 . 2]" 1
88 1 29 LEU QD 1 142 TYR QE 3.500 . 5.900 2.444 2.270 2.636 . 0 0 "[ . 1 . 2]" 1
89 1 29 LEU QD 1 138 LEU QD 2.700 . 7.500 1.877 1.667 2.002 0.133 8 0 "[ . 1 . 2]" 1
90 1 30 SER H 1 30 SER HA 2.900 . 2.900 2.863 2.855 2.876 . 0 0 "[ . 1 . 2]" 1
91 1 30 SER HA 1 31 ASP H 3.500 . 3.500 3.581 3.562 3.593 0.093 5 0 "[ . 1 . 2]" 1
92 1 30 SER HA 1 33 TYR H 5.000 . 5.000 3.296 3.179 3.373 . 0 0 "[ . 1 . 2]" 1
93 1 30 SER H 1 30 SER QB 2.900 . 3.500 2.459 2.336 2.600 . 0 0 "[ . 1 . 2]" 1
94 1 30 SER QB 1 31 ASP H 5.000 . 6.000 2.756 2.522 3.540 . 0 0 "[ . 1 . 2]" 1
95 1 30 SER H 1 31 ASP H 2.900 . 2.900 2.600 2.543 2.642 . 0 0 "[ . 1 . 2]" 1
96 1 30 SER H 1 145 PHE QE 5.000 . 5.000 4.100 3.894 4.215 . 0 0 "[ . 1 . 2]" 1
97 1 30 SER H 1 145 PHE HZ 3.500 . 3.500 3.418 3.168 3.548 0.048 13 0 "[ . 1 . 2]" 1
98 1 30 SER H 1 32 HIS H 5.000 . 5.000 3.924 3.891 3.949 . 0 0 "[ . 1 . 2]" 1
99 1 30 SER QB 1 148 LEU QD 3.500 . 6.900 2.562 2.000 3.174 . 0 0 "[ . 1 . 2]" 1
100 1 31 ASP H 1 31 ASP HA 2.900 . 2.900 2.870 2.862 2.882 . 0 0 "[ . 1 . 2]" 1
101 1 31 ASP HA 1 32 HIS H 3.500 . 3.500 3.572 3.562 3.577 0.077 7 0 "[ . 1 . 2]" 1
102 1 31 ASP HA 1 34 ILE H 5.000 . 5.000 3.385 3.344 3.431 . 0 0 "[ . 1 . 2]" 1
103 1 31 ASP HA 1 35 SER H 5.000 . 5.000 3.971 3.902 4.077 . 0 0 "[ . 1 . 2]" 1
104 1 31 ASP H 1 31 ASP QB 2.900 . 3.500 2.386 2.303 2.428 . 0 0 "[ . 1 . 2]" 1
105 1 31 ASP QB 1 32 HIS H 3.500 . 4.500 2.640 2.606 2.661 . 0 0 "[ . 1 . 2]" 1
106 1 31 ASP H 1 32 HIS H 2.900 . 2.900 2.549 2.487 2.585 . 0 0 "[ . 1 . 2]" 1
107 1 31 ASP H 1 33 TYR H 5.000 . 5.000 3.974 3.879 4.016 . 0 0 "[ . 1 . 2]" 1
108 1 31 ASP HA 1 34 ILE MG 3.500 . 5.000 4.207 4.177 4.233 . 0 0 "[ . 1 . 2]" 1
109 1 32 HIS H 1 32 HIS HA 2.900 . 2.900 2.868 2.863 2.875 . 0 0 "[ . 1 . 2]" 1
110 1 32 HIS HA 1 33 TYR H 5.000 . 5.000 3.560 3.550 3.569 . 0 0 "[ . 1 . 2]" 1
111 1 32 HIS HA 1 35 SER H 5.000 . 5.000 3.394 3.329 3.452 . 0 0 "[ . 1 . 2]" 1
112 1 32 HIS H 1 32 HIS QB 3.500 . 4.100 2.486 2.465 2.531 . 0 0 "[ . 1 . 2]" 1
113 1 32 HIS QB 1 33 TYR H 3.500 . 4.500 2.521 2.470 2.555 . 0 0 "[ . 1 . 2]" 1
114 1 32 HIS H 1 32 HIS HD2 . . 3.500 3.072 2.946 3.192 . 0 0 "[ . 1 . 2]" 1
115 1 32 HIS H 1 33 TYR H 2.900 . 2.900 2.541 2.497 2.567 . 0 0 "[ . 1 . 2]" 1
116 1 32 HIS HE1 1 69 LEU QD 3.500 . 5.900 3.982 3.818 4.040 . 0 0 "[ . 1 . 2]" 1
117 1 32 HIS HE1 1 73 THR MG 3.500 . 5.900 4.107 3.701 4.501 . 0 0 "[ . 1 . 2]" 1
118 1 32 HIS HE1 1 73 THR HA 3.500 . 3.500 3.089 2.970 3.342 . 0 0 "[ . 1 . 2]" 1
119 1 32 HIS HA 1 76 TYR QD 3.500 . 5.900 2.795 2.403 3.210 . 0 0 "[ . 1 . 2]" 1
120 1 32 HIS HD2 1 76 TYR QD 5.000 . 7.400 3.114 2.806 3.603 . 0 0 "[ . 1 . 2]" 1
121 1 32 HIS HA 1 76 TYR QE 3.500 . 5.900 3.428 3.076 3.856 . 0 0 "[ . 1 . 2]" 1
122 1 33 TYR H 1 33 TYR HA 2.900 . 2.900 2.832 2.828 2.834 . 0 0 "[ . 1 . 2]" 1
123 1 33 TYR HA 1 34 ILE H 5.000 . 5.000 3.597 3.590 3.602 . 0 0 "[ . 1 . 2]" 1
124 1 33 TYR HA 1 36 LEU H 5.000 . 5.000 3.470 3.415 3.522 . 0 0 "[ . 1 . 2]" 1
125 1 33 TYR H 1 33 TYR QB 2.900 . 3.500 2.220 2.196 2.239 . 0 0 "[ . 1 . 2]" 1
126 1 33 TYR QB 1 34 ILE H 3.500 . 4.500 2.365 2.334 2.410 . 0 0 "[ . 1 . 2]" 1
127 1 33 TYR QD 1 138 LEU H 5.000 . 7.000 4.888 4.783 5.025 . 0 0 "[ . 1 . 2]" 1
128 1 33 TYR QD 1 139 GLU H 5.000 . 7.000 4.109 3.955 4.242 . 0 0 "[ . 1 . 2]" 1
129 1 33 TYR H 1 33 TYR QD 3.500 . 5.000 4.151 4.132 4.166 . 0 0 "[ . 1 . 2]" 1
130 1 33 TYR QD 1 34 ILE H 3.500 . 3.500 2.986 2.947 3.052 . 0 0 "[ . 1 . 2]" 1
131 1 33 TYR H 1 138 LEU QD 3.500 . 5.900 3.319 3.125 3.510 . 0 0 "[ . 1 . 2]" 1
132 1 33 TYR H 1 34 ILE H 2.900 . 2.900 2.736 2.717 2.746 . 0 0 "[ . 1 . 2]" 1
133 1 33 TYR HA 1 36 LEU QD 3.500 . 5.100 2.468 2.313 2.637 . 0 0 "[ . 1 . 2]" 1
134 1 33 TYR HA 1 138 LEU QD 2.700 . 5.100 2.796 2.690 2.880 . 0 0 "[ . 1 . 2]" 1
135 1 33 TYR HA 1 135 PHE QD 2.700 . 5.100 3.098 3.040 3.175 . 0 0 "[ . 1 . 2]" 1
136 1 33 TYR QB 1 138 LEU QD 5.000 . 8.400 2.414 2.315 2.539 . 0 0 "[ . 1 . 2]" 1
137 1 33 TYR QD 1 138 LEU QD 3.500 . 5.900 2.945 2.866 3.080 . 0 0 "[ . 1 . 2]" 1
138 1 33 TYR QB 1 145 PHE QD 3.500 . 5.900 2.721 2.569 2.972 . 0 0 "[ . 1 . 2]" 1
139 1 33 TYR QE 1 139 GLU QB 3.500 . 5.500 2.451 2.284 2.572 . 0 0 "[ . 1 . 2]" 1
140 1 33 TYR QE 1 139 GLU QG 3.500 . 5.500 3.600 3.458 3.742 . 0 0 "[ . 1 . 2]" 1
141 1 33 TYR QD 1 138 LEU QB 3.500 . 5.900 2.457 2.380 2.525 . 0 0 "[ . 1 . 2]" 1
142 1 33 TYR QD 1 148 LEU QD 3.500 . 5.900 2.297 2.170 2.472 . 0 0 "[ . 1 . 2]" 1
143 1 33 TYR QE 1 145 PHE QD 3.500 . 7.900 3.833 3.690 4.064 . 0 0 "[ . 1 . 2]" 1
144 1 33 TYR QE 1 148 LEU QD 3.500 . 5.900 2.902 2.477 3.229 . 0 0 "[ . 1 . 2]" 1
145 1 34 ILE H 1 34 ILE HA 2.900 . 2.900 2.842 2.837 2.846 . 0 0 "[ . 1 . 2]" 1
146 1 34 ILE HA 1 35 SER H 3.500 . 3.500 3.599 3.591 3.621 0.121 6 0 "[ . 1 . 2]" 1
147 1 34 ILE HA 1 37 LYS H 3.500 . 3.500 3.309 3.172 3.459 . 0 0 "[ . 1 . 2]" 1
148 1 34 ILE HA 1 38 ARG H 5.000 . 5.000 4.108 3.920 4.389 . 0 0 "[ . 1 . 2]" 1
149 1 34 ILE H 1 34 ILE HB 2.900 . 2.900 2.431 2.414 2.451 . 0 0 "[ . 1 . 2]" 1
150 1 34 ILE HB 1 35 SER H 2.900 . 2.900 2.618 2.547 2.665 . 0 0 "[ . 1 . 2]" 1
151 1 34 ILE H 1 34 ILE MD 3.500 . 5.000 3.460 3.386 3.516 . 0 0 "[ . 1 . 2]" 1
152 1 34 ILE MD 1 35 SER H 5.000 . 6.500 4.642 4.519 4.730 . 0 0 "[ . 1 . 2]" 1
153 1 34 ILE H 1 34 ILE QG 2.900 . 3.900 2.274 2.236 2.310 . 0 0 "[ . 1 . 2]" 1
154 1 34 ILE H 1 34 ILE MG 2.900 . 4.400 3.764 3.759 3.768 . 0 0 "[ . 1 . 2]" 1
155 1 34 ILE MG 1 35 SER H 2.900 . 4.400 3.259 3.217 3.295 . 0 0 "[ . 1 . 2]" 1
156 1 34 ILE H 1 35 SER H 2.900 . 2.900 2.697 2.666 2.755 . 0 0 "[ . 1 . 2]" 1
157 1 34 ILE MG 1 38 ARG QD 3.500 . 6.500 2.915 2.431 3.726 . 0 0 "[ . 1 . 2]" 1
158 1 34 ILE MG 1 151 PRO QG 3.500 . 6.500 4.114 2.446 4.864 . 0 0 "[ . 1 . 2]" 1
159 1 34 ILE MG 1 151 PRO QD 3.500 . 6.500 3.257 2.170 3.770 . 0 0 "[ . 1 . 2]" 1
160 1 34 ILE MG 1 150 MET HA 3.500 . 5.000 3.863 3.322 4.109 . 0 0 "[ . 1 . 2]" 1
161 1 34 ILE MD 1 150 MET HA 5.000 . 6.500 3.476 2.181 4.575 . 0 0 "[ . 1 . 2]" 1
162 1 34 ILE MD 1 148 LEU QB 3.500 . 6.500 2.489 1.707 3.282 0.093 10 0 "[ . 1 . 2]" 1
163 1 34 ILE MD 1 148 LEU QD 3.500 . 6.500 2.695 2.434 3.009 . 0 0 "[ . 1 . 2]" 1
164 1 34 ILE MD 1 150 MET ME 3.500 . 6.500 4.040 2.495 4.379 . 0 0 "[ . 1 . 2]" 1
165 1 34 ILE MG 1 150 MET QB 3.500 . 6.500 3.947 2.531 4.707 . 0 0 "[ . 1 . 2]" 1
166 1 34 ILE MG 1 150 MET ME 3.500 . 6.500 2.766 2.047 3.812 . 0 0 "[ . 1 . 2]" 1
167 1 35 SER H 1 35 SER HA 2.900 . 2.900 2.852 2.845 2.864 . 0 0 "[ . 1 . 2]" 1
168 1 35 SER HA 1 36 LEU H 3.500 . 3.500 3.589 3.573 3.599 0.099 3 0 "[ . 1 . 2]" 1
169 1 35 SER HA 1 38 ARG H 5.000 . 5.000 3.391 3.206 3.544 . 0 0 "[ . 1 . 2]" 1
170 1 35 SER H 1 35 SER QB 3.500 . 4.100 2.446 2.328 2.601 . 0 0 "[ . 1 . 2]" 1
171 1 35 SER QB 1 36 LEU H 3.500 . 4.500 2.623 2.532 3.532 . 0 0 "[ . 1 . 2]" 1
172 1 35 SER H 1 36 LEU H 2.900 . 2.900 2.671 2.632 2.699 . 0 0 "[ . 1 . 2]" 1
173 1 35 SER H 1 37 LYS H 5.000 . 5.000 4.061 4.012 4.197 . 0 0 "[ . 1 . 2]" 1
174 1 35 SER QB 1 76 TYR QD 3.500 . 5.900 2.922 2.642 3.330 . 0 0 "[ . 1 . 2]" 1
175 1 35 SER QB 1 76 TYR QE 3.500 . 5.900 2.603 2.165 3.195 . 0 0 "[ . 1 . 2]" 1
176 1 35 SER QB 1 79 LEU QD 3.500 . 6.900 3.461 2.653 4.246 . 0 0 "[ . 1 . 2]" 1
177 1 36 LEU HA 1 37 LYS H 5.000 . 5.000 3.590 3.576 3.608 . 0 0 "[ . 1 . 2]" 1
178 1 36 LEU HA 1 39 TYR H 5.000 . 5.000 3.273 3.170 3.356 . 0 0 "[ . 1 . 2]" 1
179 1 36 LEU HA 1 40 LEU H 5.000 . 5.000 3.794 3.649 3.903 . 0 0 "[ . 1 . 2]" 1
180 1 36 LEU H 1 36 LEU QB 3.500 . 4.100 2.424 2.400 2.439 . 0 0 "[ . 1 . 2]" 1
181 1 36 LEU QB 1 37 LYS H 5.000 . 6.000 2.649 2.609 2.711 . 0 0 "[ . 1 . 2]" 1
182 1 36 LEU QD 1 131 ALA H 5.000 . 7.400 4.713 4.432 4.961 . 0 0 "[ . 1 . 2]" 1
183 1 36 LEU QD 1 132 THR H 5.000 . 7.400 4.686 4.486 4.843 . 0 0 "[ . 1 . 2]" 1
184 1 36 LEU QD 1 135 PHE H 2.900 . 5.300 2.863 2.710 3.103 . 0 0 "[ . 1 . 2]" 1
185 1 36 LEU H 1 36 LEU QD 3.500 . 5.200 3.230 3.216 3.250 . 0 0 "[ . 1 . 2]" 1
186 1 36 LEU QD 1 37 LYS H 5.000 . 7.400 4.156 4.124 4.190 . 0 0 "[ . 1 . 2]" 1
187 1 36 LEU H 1 36 LEU HG 2.900 . 2.900 2.478 2.453 2.510 . 0 0 "[ . 1 . 2]" 1
188 1 36 LEU H 1 37 LYS H 2.900 . 2.900 2.634 2.586 2.694 . 0 0 "[ . 1 . 2]" 1
189 1 36 LEU HA 1 79 LEU QD 3.500 . 5.900 3.014 2.433 3.467 . 0 0 "[ . 1 . 2]" 1
190 1 36 LEU QD 1 131 ALA MB 2.700 . 6.600 2.132 2.009 2.225 . 0 0 "[ . 1 . 2]" 1
191 1 36 LEU QD 1 135 PHE QB 2.700 . 6.600 2.391 2.053 2.568 . 0 0 "[ . 1 . 2]" 1
192 1 36 LEU QD 1 135 PHE HA 2.700 . 5.100 2.511 2.308 2.657 . 0 0 "[ . 1 . 2]" 1
193 1 36 LEU QD 1 135 PHE QD 2.700 . 7.500 2.814 2.369 3.010 . 0 0 "[ . 1 . 2]" 1
194 1 36 LEU QD 1 138 LEU QD 2.700 . 7.500 2.320 2.161 2.436 . 0 0 "[ . 1 . 2]" 1
195 1 36 LEU QD 1 79 LEU QD 2.700 . 7.500 1.885 1.801 1.986 . 0 0 "[ . 1 . 2]" 1
196 1 36 LEU HA 1 39 TYR QD 3.500 . 5.900 3.998 3.890 4.151 . 0 0 "[ . 1 . 2]" 1
197 1 36 LEU QD 1 39 TYR QD 3.500 . 7.900 3.630 3.487 3.778 . 0 0 "[ . 1 . 2]" 1
198 1 36 LEU QB 1 135 PHE QD 2.700 . 7.100 2.072 1.999 2.208 . 0 0 "[ . 1 . 2]" 1
199 1 37 LYS HA 1 38 ARG H 5.000 . 5.000 3.612 3.602 3.636 . 0 0 "[ . 1 . 2]" 1
200 1 37 LYS HA 1 40 LEU H 5.000 . 5.000 3.473 3.328 3.598 . 0 0 "[ . 1 . 2]" 1
201 1 37 LYS HA 1 41 SER H 5.000 . 5.000 3.896 3.725 4.000 . 0 0 "[ . 1 . 2]" 1
202 1 37 LYS H 1 37 LYS QB 3.500 . 4.100 2.297 2.164 2.333 . 0 0 "[ . 1 . 2]" 1
203 1 37 LYS QB 1 38 ARG H 3.500 . 4.500 2.545 2.468 2.621 . 0 0 "[ . 1 . 2]" 1
204 1 37 LYS H 1 135 PHE QE 5.000 . 5.000 3.301 3.165 3.462 . 0 0 "[ . 1 . 2]" 1
205 1 37 LYS H 1 38 ARG H 2.900 . 2.900 2.694 2.638 2.782 . 0 0 "[ . 1 . 2]" 1
206 1 37 LYS QB 1 135 PHE QE 2.700 . 7.100 2.243 2.007 3.752 . 0 0 "[ . 1 . 2]" 1
207 1 37 LYS QG 1 135 PHE QE 2.700 . 7.100 3.460 2.075 4.087 . 0 0 "[ . 1 . 2]" 1
208 1 37 LYS QE 1 150 MET ME 3.500 . 6.500 3.737 2.111 4.920 . 0 0 "[ . 1 . 2]" 1
209 1 38 ARG H 1 38 ARG HA 2.900 . 2.900 2.863 2.856 2.891 . 0 0 "[ . 1 . 2]" 1
210 1 38 ARG HA 1 39 TYR H 5.000 . 5.000 3.584 3.552 3.592 . 0 0 "[ . 1 . 2]" 1
211 1 38 ARG HA 1 41 SER H 3.500 . 3.500 3.375 3.171 3.512 0.012 20 0 "[ . 1 . 2]" 1
212 1 38 ARG H 1 38 ARG QB 2.900 . 3.500 2.452 2.426 2.615 . 0 0 "[ . 1 . 2]" 1
213 1 38 ARG QB 1 39 TYR H 2.900 . 3.900 2.649 2.571 3.588 . 0 0 "[ . 1 . 2]" 1
214 1 38 ARG H 1 38 ARG QD 3.500 . 4.500 3.941 3.755 4.390 . 0 0 "[ . 1 . 2]" 1
215 1 38 ARG H 1 38 ARG QG 2.900 . 3.900 2.389 2.223 2.467 . 0 0 "[ . 1 . 2]" 1
216 1 38 ARG QG 1 39 TYR H 5.000 . 6.000 4.071 2.350 4.197 . 0 0 "[ . 1 . 2]" 1
217 1 38 ARG H 1 150 MET ME 3.500 . 5.000 3.706 3.112 4.133 . 0 0 "[ . 1 . 2]" 1
218 1 38 ARG H 1 39 TYR H 2.900 . 2.900 2.611 2.503 2.643 . 0 0 "[ . 1 . 2]" 1
219 1 38 ARG HA 1 150 MET ME 3.500 . 5.000 3.237 2.315 3.979 . 0 0 "[ . 1 . 2]" 1
220 1 38 ARG QD 1 150 MET ME 3.500 . 6.500 3.184 2.038 4.284 . 0 0 "[ . 1 . 2]" 1
221 1 39 TYR HA 1 40 LEU H 5.000 . 5.000 3.611 3.606 3.617 . 0 0 "[ . 1 . 2]" 1
222 1 39 TYR HA 1 42 ALA H 3.500 . 3.500 3.449 3.361 3.630 0.130 20 0 "[ . 1 . 2]" 1
223 1 39 TYR H 1 39 TYR QB 2.900 . 3.500 2.298 2.286 2.307 . 0 0 "[ . 1 . 2]" 1
224 1 39 TYR QB 1 40 LEU H 3.500 . 4.500 2.445 2.420 2.476 . 0 0 "[ . 1 . 2]" 1
225 1 39 TYR H 1 39 TYR QD 3.500 . 4.500 4.224 4.216 4.232 . 0 0 "[ . 1 . 2]" 1
226 1 39 TYR QD 1 40 LEU H 3.500 . 5.000 3.398 3.302 3.513 . 0 0 "[ . 1 . 2]" 1
227 1 39 TYR H 1 40 LEU H 2.900 . 2.900 2.727 2.692 2.749 . 0 0 "[ . 1 . 2]" 1
228 1 39 TYR H 1 79 LEU QD 5.000 . 7.400 4.552 4.054 5.168 . 0 0 "[ . 1 . 2]" 1
229 1 39 TYR HA 1 42 ALA MB 2.700 . 4.200 2.768 2.633 2.926 . 0 0 "[ . 1 . 2]" 1
230 1 39 TYR QB 1 79 LEU QD 3.500 . 6.900 2.678 2.194 3.148 . 0 0 "[ . 1 . 2]" 1
231 1 39 TYR QD 1 131 ALA MB 3.500 . 7.000 3.137 2.759 3.470 . 0 0 "[ . 1 . 2]" 1
232 1 39 TYR QE 1 131 ALA MB 2.700 . 5.500 3.152 2.818 3.372 . 0 0 "[ . 1 . 2]" 1
233 1 39 TYR QD 1 79 LEU QD 2.700 . 7.100 2.826 2.655 3.201 . 0 0 "[ . 1 . 2]" 1
234 1 39 TYR QE 1 79 LEU QD 2.700 . 7.100 2.992 2.772 3.331 . 0 0 "[ . 1 . 2]" 1
235 1 39 TYR QE 1 128 ARG HA 3.500 . 5.900 2.978 2.382 3.584 . 0 0 "[ . 1 . 2]" 1
236 1 39 TYR QD 1 43 THR MG 3.500 . 5.900 3.618 3.391 3.975 . 0 0 "[ . 1 . 2]" 1
237 1 39 TYR QE 1 43 THR MG 3.500 . 5.900 3.167 2.937 3.850 . 0 0 "[ . 1 . 2]" 1
238 1 40 LEU HA 1 41 SER H 3.500 . 3.500 3.580 3.571 3.596 0.096 5 0 "[ . 1 . 2]" 1
239 1 40 LEU H 1 40 LEU QB 3.500 . 4.100 2.440 2.430 2.453 . 0 0 "[ . 1 . 2]" 1
240 1 40 LEU QB 1 41 SER H 5.000 . 6.000 2.637 2.613 2.669 . 0 0 "[ . 1 . 2]" 1
241 1 40 LEU QD 1 131 ALA H 5.000 . 7.400 4.863 4.311 5.331 . 0 0 "[ . 1 . 2]" 1
242 1 40 LEU QD 1 132 THR H 3.500 . 5.900 3.437 3.055 3.794 . 0 0 "[ . 1 . 2]" 1
243 1 40 LEU QD 1 135 PHE H 3.500 . 5.900 4.122 3.732 4.269 . 0 0 "[ . 1 . 2]" 1
244 1 40 LEU QD 1 136 CYS H 5.000 . 7.400 4.502 4.293 4.603 . 0 0 "[ . 1 . 2]" 1
245 1 40 LEU H 1 40 LEU QD 3.500 . 5.200 3.190 3.172 3.204 . 0 0 "[ . 1 . 2]" 1
246 1 40 LEU QD 1 41 SER H 5.000 . 7.400 4.151 4.135 4.177 . 0 0 "[ . 1 . 2]" 1
247 1 40 LEU H 1 40 LEU HG 2.900 . 2.900 2.399 2.361 2.424 . 0 0 "[ . 1 . 2]" 1
248 1 40 LEU H 1 41 SER QB 5.000 . 6.000 4.629 4.460 4.934 . 0 0 "[ . 1 . 2]" 1
249 1 40 LEU H 1 41 SER H 2.900 . 2.900 2.631 2.603 2.673 . 0 0 "[ . 1 . 2]" 1
250 1 40 LEU QD 1 131 ALA MB 2.700 . 6.600 2.829 2.238 3.338 . 0 0 "[ . 1 . 2]" 1
251 1 40 LEU QD 1 132 THR HA 2.700 . 5.100 2.330 2.033 2.539 . 0 0 "[ . 1 . 2]" 1
252 1 40 LEU QD 1 135 PHE QB 3.500 . 6.900 2.370 2.140 2.481 . 0 0 "[ . 1 . 2]" 1
253 1 40 LEU QD 1 132 THR MG 3.500 . 7.400 2.773 2.552 3.013 . 0 0 "[ . 1 . 2]" 1
254 1 40 LEU QD 1 135 PHE QD 2.700 . 7.100 2.879 2.684 3.101 . 0 0 "[ . 1 . 2]" 1
255 1 41 SER H 1 41 SER HA 2.900 . 2.900 2.858 2.846 2.887 . 0 0 "[ . 1 . 2]" 1
256 1 41 SER HA 1 42 ALA H 3.500 . 3.500 3.568 3.482 3.600 0.100 20 0 "[ . 1 . 2]" 1
257 1 41 SER H 1 41 SER QB 2.900 . 3.500 2.420 2.325 2.565 . 0 0 "[ . 1 . 2]" 1
258 1 41 SER QB 1 42 ALA H 2.900 . 3.900 2.714 2.527 3.710 . 0 0 "[ . 1 . 2]" 1
259 1 41 SER H 1 42 ALA H 2.900 . 2.900 2.620 2.531 2.670 . 0 0 "[ . 1 . 2]" 1
260 1 42 ALA H 1 42 ALA HA 2.900 . 2.900 2.860 2.834 2.941 0.041 5 0 "[ . 1 . 2]" 1
261 1 42 ALA HA 1 43 THR H 3.500 . 3.500 3.572 3.435 3.606 0.106 14 0 "[ . 1 . 2]" 1
262 1 42 ALA H 1 42 ALA MB 2.900 . 4.000 2.304 2.285 2.340 . 0 0 "[ . 1 . 2]" 1
263 1 42 ALA MB 1 43 THR H 3.500 . 5.000 2.703 2.552 3.172 . 0 0 "[ . 1 . 2]" 1
264 1 42 ALA H 1 43 THR H 2.900 . 2.900 2.637 2.358 2.750 . 0 0 "[ . 1 . 2]" 1
265 1 42 ALA MB 1 43 THR MG 2.700 . 5.700 2.981 2.760 3.639 . 0 0 "[ . 1 . 2]" 1
266 1 43 THR HA 1 44 SER H 3.500 . 3.500 3.447 3.074 3.590 0.090 12 0 "[ . 1 . 2]" 1
267 1 43 THR H 1 43 THR MG 2.900 . 4.400 2.385 1.867 2.880 . 0 0 "[ . 1 . 2]" 1
268 1 43 THR MG 1 44 SER H 5.000 . 6.500 4.019 2.335 4.347 . 0 0 "[ . 1 . 2]" 1
269 1 43 THR H 1 44 SER H 3.500 . 3.500 2.456 1.999 2.813 . 0 0 "[ . 1 . 2]" 1
270 1 44 SER H 1 44 SER QB 2.900 . 3.500 2.766 2.335 3.288 . 0 0 "[ . 1 . 2]" 1
271 1 44 SER QB 1 46 ASP H 5.000 . 6.000 3.591 2.019 5.354 . 0 0 "[ . 1 . 2]" 1
272 1 44 SER QB 1 47 GLY H 5.000 . 6.000 3.564 2.234 5.018 . 0 0 "[ . 1 . 2]" 1
273 1 45 ARG HA 1 46 ASP H 3.500 . 3.500 3.417 2.154 3.611 0.111 20 0 "[ . 1 . 2]" 1
274 1 45 ARG QB 1 46 ASP H 3.500 . 4.500 3.064 2.147 3.991 . 0 0 "[ . 1 . 2]" 1
275 1 45 ARG QG 1 46 ASP H 5.000 . 6.000 3.553 2.473 4.368 . 0 0 "[ . 1 . 2]" 1
276 1 46 ASP HA 1 47 GLY H 5.000 . 5.000 3.178 2.196 3.623 . 0 0 "[ . 1 . 2]" 1
277 1 46 ASP H 1 46 ASP QB 3.500 . 4.100 2.753 2.418 3.384 . 0 0 "[ . 1 . 2]" 1
278 1 46 ASP H 1 47 GLY H 3.500 . 3.500 2.678 1.961 3.706 0.206 20 0 "[ . 1 . 2]" 1
279 1 47 GLY QA 1 48 ASN H 5.000 . 6.000 2.348 2.179 2.953 . 0 0 "[ . 1 . 2]" 1
280 1 47 GLY H 1 48 ASN H 5.000 . 5.000 4.120 1.897 4.628 . 0 0 "[ . 1 . 2]" 1
281 1 48 ASN HA 1 50 LYS H 5.000 . 5.000 3.680 3.165 4.282 . 0 0 "[ . 1 . 2]" 1
282 1 48 ASN H 1 48 ASN QB 3.500 . 4.100 2.596 2.328 3.386 . 0 0 "[ . 1 . 2]" 1
283 1 49 PRO HA 1 50 LYS H . . 2.900 3.489 3.009 3.590 0.690 17 19 "[*-**************+ **]" 1
284 1 49 PRO QB 1 50 LYS H 5.000 . 6.000 3.315 2.617 4.010 . 0 0 "[ . 1 . 2]" 1
285 1 49 PRO QD 1 50 LYS H 3.500 . 4.500 2.631 2.471 3.165 . 0 0 "[ . 1 . 2]" 1
286 1 49 PRO QG 1 50 LYS H 3.500 . 4.500 3.080 2.443 3.951 . 0 0 "[ . 1 . 2]" 1
287 1 50 LYS H 1 50 LYS HA 2.900 . 2.900 2.827 2.288 2.986 0.086 5 0 "[ . 1 . 2]" 1
288 1 50 LYS H 1 50 LYS QB 2.900 . 3.500 2.867 2.450 3.390 . 0 0 "[ . 1 . 2]" 1
289 1 50 LYS H 1 50 LYS QD 5.000 . 6.000 4.332 3.821 4.731 . 0 0 "[ . 1 . 2]" 1
290 1 50 LYS H 1 50 LYS QG 2.900 . 3.900 2.764 2.262 3.177 . 0 0 "[ . 1 . 2]" 1
291 1 51 PRO QD 1 132 THR MG 3.500 . 6.500 3.893 2.431 4.840 . 0 0 "[ . 1 . 2]" 1
292 1 51 PRO QG 1 132 THR MG 3.500 . 6.500 3.324 2.085 4.823 . 0 0 "[ . 1 . 2]" 1
293 1 51 PRO QB 1 132 THR MG 3.500 . 6.500 2.864 2.059 4.510 . 0 0 "[ . 1 . 2]" 1
294 1 55 LYS HA 1 56 ALA H 2.900 . 2.900 2.648 2.164 3.298 0.398 14 0 "[ . 1 . 2]" 1
295 1 55 LYS QB 1 56 ALA H 5.000 . 6.000 3.395 1.895 4.010 . 0 0 "[ . 1 . 2]" 1
296 1 55 LYS QG 1 56 ALA H 5.000 . 6.000 3.828 1.665 4.556 0.135 2 0 "[ . 1 . 2]" 1
297 1 56 ALA HA 1 57 ARG H 2.900 . 2.900 2.912 2.327 3.273 0.373 10 0 "[ . 1 . 2]" 1
298 1 56 ALA HA 1 59 LYS H 5.000 . 5.000 3.389 2.883 4.570 . 0 0 "[ . 1 . 2]" 1
299 1 56 ALA H 1 56 ALA MB 2.900 . 4.000 2.581 2.312 3.045 . 0 0 "[ . 1 . 2]" 1
300 1 56 ALA MB 1 57 ARG H 2.900 . 4.400 3.520 2.579 3.729 . 0 0 "[ . 1 . 2]" 1
301 1 57 ARG HA 1 58 ASP H 3.500 . 3.500 3.525 3.441 3.587 0.087 14 0 "[ . 1 . 2]" 1
302 1 57 ARG HA 1 59 LYS H 5.000 . 5.000 4.043 3.593 4.347 . 0 0 "[ . 1 . 2]" 1
303 1 57 ARG HA 1 60 LEU H 5.000 . 5.000 3.326 3.049 3.653 . 0 0 "[ . 1 . 2]" 1
304 1 57 ARG H 1 57 ARG QB 3.500 . 4.100 2.454 2.288 2.577 . 0 0 "[ . 1 . 2]" 1
305 1 57 ARG QB 1 58 ASP H 5.000 . 6.000 3.054 2.525 3.758 . 0 0 "[ . 1 . 2]" 1
306 1 57 ARG H 1 57 ARG QG 3.500 . 4.500 2.661 2.156 4.019 . 0 0 "[ . 1 . 2]" 1
307 1 57 ARG QG 1 58 ASP H 5.000 . 6.000 3.547 2.438 4.296 . 0 0 "[ . 1 . 2]" 1
308 1 58 ASP HA 1 59 LYS H 3.500 . 3.500 3.551 3.501 3.577 0.077 7 0 "[ . 1 . 2]" 1
309 1 58 ASP HA 1 60 LEU H 5.000 . 5.000 4.155 3.631 4.331 . 0 0 "[ . 1 . 2]" 1
310 1 58 ASP HA 1 61 GLN H 5.000 . 5.000 3.259 3.029 3.424 . 0 0 "[ . 1 . 2]" 1
311 1 58 ASP H 1 58 ASP QB 3.500 . 4.100 2.513 2.286 2.754 . 0 0 "[ . 1 . 2]" 1
312 1 58 ASP QB 1 59 LYS H 5.000 . 6.000 3.023 2.600 3.722 . 0 0 "[ . 1 . 2]" 1
313 1 58 ASP H 1 59 LYS H 3.500 . 3.500 2.586 2.496 2.720 . 0 0 "[ . 1 . 2]" 1
314 1 59 LYS H 1 59 LYS HA 2.900 . 2.900 2.858 2.844 2.886 . 0 0 "[ . 1 . 2]" 1
315 1 59 LYS HA 1 60 LEU H 3.500 . 3.500 3.563 3.498 3.597 0.097 12 0 "[ . 1 . 2]" 1
316 1 59 LYS HA 1 61 GLN H 5.000 . 5.000 3.771 3.543 4.023 . 0 0 "[ . 1 . 2]" 1
317 1 59 LYS H 1 59 LYS QB 2.900 . 3.500 2.419 2.306 2.494 . 0 0 "[ . 1 . 2]" 1
318 1 59 LYS QB 1 60 LEU H 2.900 . 3.900 2.714 2.597 3.053 . 0 0 "[ . 1 . 2]" 1
319 1 59 LYS H 1 59 LYS QD 5.000 . 6.000 4.051 3.580 4.766 . 0 0 "[ . 1 . 2]" 1
320 1 59 LYS QD 1 60 LEU H 5.000 . 6.000 4.903 4.660 5.377 . 0 0 "[ . 1 . 2]" 1
321 1 59 LYS H 1 59 LYS QG 3.500 . 4.500 2.722 2.304 4.023 . 0 0 "[ . 1 . 2]" 1
322 1 59 LYS QG 1 60 LEU H 5.000 . 6.000 4.122 3.755 4.329 . 0 0 "[ . 1 . 2]" 1
323 1 59 LYS H 1 60 LEU H 2.900 . 2.900 2.607 2.484 2.703 . 0 0 "[ . 1 . 2]" 1
324 1 60 LEU HA 1 61 GLN H 3.500 . 3.500 3.448 3.403 3.536 0.036 5 0 "[ . 1 . 2]" 1
325 1 60 LEU H 1 60 LEU QB 3.500 . 4.100 2.426 2.378 2.492 . 0 0 "[ . 1 . 2]" 1
326 1 60 LEU QB 1 61 GLN H 5.000 . 6.000 3.224 2.916 3.814 . 0 0 "[ . 1 . 2]" 1
327 1 60 LEU QD 1 137 GLU H 5.000 . 7.400 4.483 3.603 5.177 . 0 0 "[ . 1 . 2]" 1
328 1 60 LEU H 1 60 LEU QD 3.500 . 5.200 3.241 3.108 3.297 . 0 0 "[ . 1 . 2]" 1
329 1 60 LEU QD 1 61 GLN H 5.000 . 7.400 4.350 3.617 4.419 . 0 0 "[ . 1 . 2]" 1
330 1 60 LEU H 1 60 LEU HG 2.900 . 2.900 2.531 2.425 2.963 0.063 12 0 "[ . 1 . 2]" 1
331 1 60 LEU H 1 61 GLN H 2.900 . 2.900 2.518 2.403 2.591 . 0 0 "[ . 1 . 2]" 1
332 1 60 LEU QD 1 68 PHE QE 3.500 . 5.900 2.550 1.939 3.039 . 0 0 "[ . 1 . 2]" 1
333 1 60 LEU QD 1 133 ASP QB 3.500 . 6.900 2.749 1.948 4.142 . 0 0 "[ . 1 . 2]" 1
334 1 60 LEU QD 1 134 VAL HA 2.700 . 5.100 3.368 2.494 3.791 . 0 0 "[ . 1 . 2]" 1
335 1 60 LEU QD 1 134 VAL QG 3.500 . 5.900 2.947 2.509 3.117 . 0 0 "[ . 1 . 2]" 1
336 1 61 GLN H 1 61 GLN HA 2.900 . 2.900 2.959 2.934 2.971 0.071 7 0 "[ . 1 . 2]" 1
337 1 61 GLN HA 1 62 ARG H 5.000 . 5.000 3.309 3.188 3.364 . 0 0 "[ . 1 . 2]" 1
338 1 61 GLN HA 1 63 LEU H 5.000 . 5.000 3.703 3.061 4.322 . 0 0 "[ . 1 . 2]" 1
339 1 61 GLN H 1 61 GLN QB 2.900 . 3.500 2.450 2.421 2.526 . 0 0 "[ . 1 . 2]" 1
340 1 61 GLN QB 1 62 ARG H 3.500 . 4.500 3.477 3.403 3.635 . 0 0 "[ . 1 . 2]" 1
341 1 61 GLN H 1 61 GLN QG 2.900 . 3.900 2.719 2.556 2.820 . 0 0 "[ . 1 . 2]" 1
342 1 61 GLN H 1 62 ARG H 2.900 . 2.900 2.387 2.303 2.480 . 0 0 "[ . 1 . 2]" 1
343 1 62 ARG H 1 62 ARG HA 2.900 . 2.900 2.978 2.952 2.991 0.091 14 0 "[ . 1 . 2]" 1
344 1 62 ARG HA 1 63 LEU H 2.900 . 2.900 2.657 2.420 3.054 0.154 6 0 "[ . 1 . 2]" 1
345 1 62 ARG H 1 62 ARG QB 2.900 . 3.500 2.532 2.455 2.624 . 0 0 "[ . 1 . 2]" 1
346 1 62 ARG QB 1 63 LEU H 5.000 . 6.000 3.880 3.723 3.938 . 0 0 "[ . 1 . 2]" 1
347 1 62 ARG H 1 62 ARG QD 5.000 . 6.000 4.097 3.839 4.760 . 0 0 "[ . 1 . 2]" 1
348 1 62 ARG H 1 62 ARG QG 2.900 . 3.900 2.810 2.578 3.280 . 0 0 "[ . 1 . 2]" 1
349 1 62 ARG QG 1 63 LEU H 5.000 . 6.000 4.671 4.481 4.861 . 0 0 "[ . 1 . 2]" 1
350 1 62 ARG H 1 63 LEU H . . 2.900 3.218 2.601 3.590 0.690 12 10 "[ *. **1*+**.-* *]" 1
351 1 62 ARG HA 1 63 LEU QD 3.500 . 5.900 4.224 3.778 4.558 . 0 0 "[ . 1 . 2]" 1
352 1 63 LEU H 1 63 LEU HA 2.900 . 2.900 2.900 2.842 2.983 0.083 19 0 "[ . 1 . 2]" 1
353 1 63 LEU HA 1 64 THR H 2.900 . 2.900 2.390 2.200 2.501 . 0 0 "[ . 1 . 2]" 1
354 1 63 LEU H 1 63 LEU QB 2.900 . 3.500 3.312 2.700 3.456 . 0 0 "[ . 1 . 2]" 1
355 1 63 LEU QB 1 64 THR H 5.000 . 6.000 2.408 2.206 2.834 . 0 0 "[ . 1 . 2]" 1
356 1 63 LEU QB 1 68 PHE H 5.000 . 6.000 3.589 3.164 3.892 . 0 0 "[ . 1 . 2]" 1
357 1 63 LEU H 1 63 LEU QD 2.900 . 4.600 2.882 2.157 3.431 . 0 0 "[ . 1 . 2]" 1
358 1 63 LEU QD 1 64 THR H 2.900 . 5.300 3.580 3.361 3.983 . 0 0 "[ . 1 . 2]" 1
359 1 63 LEU QD 1 67 GLN H 5.000 . 7.400 4.568 4.073 5.171 . 0 0 "[ . 1 . 2]" 1
360 1 63 LEU QD 1 68 PHE H 5.000 . 7.400 3.128 2.600 4.181 . 0 0 "[ . 1 . 2]" 1
361 1 63 LEU H 1 63 LEU HG . . 2.900 2.592 2.257 3.557 0.657 7 1 "[ . + 1 . 2]" 1
362 1 63 LEU H 1 64 THR H 5.000 . 5.000 4.350 4.294 4.446 . 0 0 "[ . 1 . 2]" 1
363 1 63 LEU HA 1 64 THR MG 2.700 . 4.200 3.366 3.340 3.411 . 0 0 "[ . 1 . 2]" 1
364 1 63 LEU QD 1 71 LEU QD 3.500 . 6.500 2.706 1.961 3.372 . 0 0 "[ . 1 . 2]" 1
365 1 63 LEU QD 1 68 PHE HA 3.500 . 5.900 2.573 2.263 3.119 . 0 0 "[ . 1 . 2]" 1
366 1 63 LEU QD 1 68 PHE QD 3.500 . 5.900 2.230 2.077 2.841 . 0 0 "[ . 1 . 2]" 1
367 1 64 THR H 1 64 THR HA 2.900 . 2.900 2.936 2.911 2.959 0.059 8 0 "[ . 1 . 2]" 1
368 1 64 THR HA 1 65 GLU H 3.500 . 3.500 2.484 2.448 2.550 . 0 0 "[ . 1 . 2]" 1
369 1 64 THR HA 1 66 VAL H 5.000 . 5.000 4.310 4.164 4.426 . 0 0 "[ . 1 . 2]" 1
370 1 64 THR HB 1 65 GLU H 3.500 . 3.500 2.288 2.248 2.375 . 0 0 "[ . 1 . 2]" 1
371 1 64 THR HB 1 66 VAL H 3.500 . 3.500 2.908 2.776 3.074 . 0 0 "[ . 1 . 2]" 1
372 1 64 THR H 1 64 THR MG 2.900 . 4.400 2.128 2.019 2.218 . 0 0 "[ . 1 . 2]" 1
373 1 64 THR MG 1 65 GLU H 3.500 . 5.000 3.771 3.736 3.824 . 0 0 "[ . 1 . 2]" 1
374 1 64 THR MG 1 66 VAL H 3.500 . 5.000 4.291 4.191 4.348 . 0 0 "[ . 1 . 2]" 1
375 1 64 THR MG 1 67 GLN QE 5.000 . 6.500 3.860 3.431 4.528 . 0 0 "[ . 1 . 2]" 1
376 1 64 THR MG 1 67 GLN H 3.500 . 5.000 3.938 3.814 4.044 . 0 0 "[ . 1 . 2]" 1
377 1 64 THR H 1 67 GLN QB 3.500 . 4.500 2.201 1.922 2.466 . 0 0 "[ . 1 . 2]" 1
378 1 64 THR H 1 67 GLN QG 5.000 . 6.000 3.180 2.679 3.323 . 0 0 "[ . 1 . 2]" 1
379 1 64 THR H 1 67 GLN H 3.500 . 3.500 3.533 3.422 3.620 0.120 1 0 "[ . 1 . 2]" 1
380 1 64 THR H 1 68 PHE H 5.000 . 5.000 4.166 3.795 4.395 . 0 0 "[ . 1 . 2]" 1
381 1 65 GLU HA 1 66 VAL H 3.500 . 3.500 3.563 3.528 3.589 0.089 19 0 "[ . 1 . 2]" 1
382 1 65 GLU HA 1 68 PHE H 3.500 . 3.500 3.278 3.072 3.495 . 0 0 "[ . 1 . 2]" 1
383 1 65 GLU HA 1 69 LEU H 5.000 . 5.000 4.073 3.940 4.234 . 0 0 "[ . 1 . 2]" 1
384 1 65 GLU H 1 65 GLU QB 2.900 . 3.500 2.425 2.290 2.572 . 0 0 "[ . 1 . 2]" 1
385 1 65 GLU QB 1 66 VAL H 2.900 . 3.900 2.774 2.594 3.636 . 0 0 "[ . 1 . 2]" 1
386 1 65 GLU H 1 65 GLU QG 3.500 . 4.500 2.750 2.200 4.115 . 0 0 "[ . 1 . 2]" 1
387 1 65 GLU QG 1 66 VAL H 3.500 . 4.500 3.791 2.369 4.148 . 0 0 "[ . 1 . 2]" 1
388 1 65 GLU H 1 66 VAL H 3.500 . 3.500 2.576 2.535 2.647 . 0 0 "[ . 1 . 2]" 1
389 1 65 GLU H 1 68 PHE H 5.000 . 5.000 4.566 4.508 4.611 . 0 0 "[ . 1 . 2]" 1
390 1 66 VAL H 1 66 VAL HA 2.900 . 2.900 2.872 2.860 2.887 . 0 0 "[ . 1 . 2]" 1
391 1 66 VAL HA 1 67 GLN H 3.500 . 3.500 3.586 3.573 3.594 0.094 5 0 "[ . 1 . 2]" 1
392 1 66 VAL HA 1 68 PHE H 5.000 . 5.000 4.260 4.217 4.299 . 0 0 "[ . 1 . 2]" 1
393 1 66 VAL HA 1 69 LEU H 2.900 . 2.900 3.194 3.172 3.212 0.312 5 0 "[ . 1 . 2]" 1
394 1 66 VAL HA 1 70 GLU H 5.000 . 5.000 4.093 4.011 4.160 . 0 0 "[ . 1 . 2]" 1
395 1 66 VAL H 1 66 VAL HB 2.900 . 2.900 2.480 2.475 2.486 . 0 0 "[ . 1 . 2]" 1
396 1 66 VAL HB 1 67 GLN H 2.900 . 2.900 2.601 2.571 2.623 . 0 0 "[ . 1 . 2]" 1
397 1 66 VAL H 1 66 VAL QG 2.900 . 4.600 2.186 2.169 2.208 . 0 0 "[ . 1 . 2]" 1
398 1 66 VAL QG 1 67 GLN H 2.900 . 5.300 3.164 3.155 3.178 . 0 0 "[ . 1 . 2]" 1
399 1 66 VAL H 1 67 GLN HA 5.000 . 5.000 5.199 5.138 5.237 0.237 3 0 "[ . 1 . 2]" 1
400 1 66 VAL H 1 67 GLN H 2.900 . 2.900 2.572 2.487 2.619 . 0 0 "[ . 1 . 2]" 1
401 1 66 VAL H 1 68 PHE H 5.000 . 5.000 3.876 3.738 3.925 . 0 0 "[ . 1 . 2]" 1
402 1 66 VAL HA 1 69 LEU QD 3.500 . 5.900 2.607 2.488 2.743 . 0 0 "[ . 1 . 2]" 1
403 1 67 GLN H 1 67 GLN HA 2.900 . 2.900 2.856 2.851 2.859 . 0 0 "[ . 1 . 2]" 1
404 1 67 GLN HA 1 68 PHE H 3.500 . 3.500 3.564 3.556 3.568 0.068 11 0 "[ . 1 . 2]" 1
405 1 67 GLN HA 1 70 GLU H 3.500 . 3.500 3.194 3.102 3.317 . 0 0 "[ . 1 . 2]" 1
406 1 67 GLN H 1 67 GLN QB 3.500 . 4.100 2.435 2.415 2.462 . 0 0 "[ . 1 . 2]" 1
407 1 67 GLN QB 1 68 PHE H 5.000 . 6.000 2.681 2.632 2.726 . 0 0 "[ . 1 . 2]" 1
408 1 67 GLN H 1 67 GLN QG 2.900 . 3.900 2.445 2.426 2.464 . 0 0 "[ . 1 . 2]" 1
409 1 67 GLN H 1 68 PHE H 2.900 . 2.900 2.573 2.526 2.595 . 0 0 "[ . 1 . 2]" 1
410 1 67 GLN H 1 69 LEU H 5.000 . 5.000 4.091 4.039 4.157 . 0 0 "[ . 1 . 2]" 1
411 1 68 PHE H 1 68 PHE HA 2.900 . 2.900 2.849 2.840 2.859 . 0 0 "[ . 1 . 2]" 1
412 1 68 PHE HA 1 69 LEU H 5.000 . 5.000 3.620 3.614 3.627 . 0 0 "[ . 1 . 2]" 1
413 1 68 PHE HA 1 71 LEU H 3.500 . 3.500 3.281 3.175 3.344 . 0 0 "[ . 1 . 2]" 1
414 1 68 PHE HA 1 72 SER H 5.000 . 5.000 3.959 3.893 4.044 . 0 0 "[ . 1 . 2]" 1
415 1 68 PHE H 1 68 PHE QB 2.900 . 3.500 2.313 2.306 2.325 . 0 0 "[ . 1 . 2]" 1
416 1 68 PHE QB 1 69 LEU H 3.500 . 4.500 2.575 2.516 2.667 . 0 0 "[ . 1 . 2]" 1
417 1 68 PHE H 1 68 PHE QD 5.000 . 5.000 4.216 4.194 4.235 . 0 0 "[ . 1 . 2]" 1
418 1 68 PHE H 1 69 LEU H 2.900 . 2.900 2.680 2.641 2.712 . 0 0 "[ . 1 . 2]" 1
419 1 68 PHE QE 1 134 VAL QG 3.500 . 5.900 3.239 2.835 3.604 . 0 0 "[ . 1 . 2]" 1
420 1 68 PHE HZ 1 134 VAL QG 3.500 . 5.500 2.766 2.289 3.227 . 0 0 "[ . 1 . 2]" 1
421 1 68 PHE QE 1 138 LEU QD 3.500 . 5.900 2.060 1.810 2.427 . 0 0 "[ . 1 . 2]" 1
422 1 69 LEU H 1 69 LEU HA 2.900 . 2.900 2.860 2.856 2.865 . 0 0 "[ . 1 . 2]" 1
423 1 69 LEU HA 1 70 GLU H 3.500 . 3.500 3.581 3.575 3.587 0.087 8 0 "[ . 1 . 2]" 1
424 1 69 LEU HA 1 72 SER H 5.000 . 5.000 3.210 3.153 3.279 . 0 0 "[ . 1 . 2]" 1
425 1 69 LEU H 1 69 LEU QB 2.900 . 3.500 2.451 2.435 2.462 . 0 0 "[ . 1 . 2]" 1
426 1 69 LEU QB 1 70 GLU H 3.500 . 4.500 2.681 2.652 2.703 . 0 0 "[ . 1 . 2]" 1
427 1 69 LEU H 1 69 LEU QD 3.500 . 5.200 3.233 3.214 3.269 . 0 0 "[ . 1 . 2]" 1
428 1 69 LEU QD 1 70 GLU H 3.500 . 5.900 4.180 4.151 4.195 . 0 0 "[ . 1 . 2]" 1
429 1 69 LEU H 1 69 LEU HG 3.500 . 3.500 2.474 2.444 2.514 . 0 0 "[ . 1 . 2]" 1
430 1 69 LEU HG 1 70 GLU H 5.000 . 5.000 4.490 4.468 4.518 . 0 0 "[ . 1 . 2]" 1
431 1 69 LEU H 1 70 GLU H 3.500 . 3.500 2.631 2.607 2.652 . 0 0 "[ . 1 . 2]" 1
432 1 70 GLU H 1 70 GLU HA 2.900 . 2.900 2.859 2.842 2.862 . 0 0 "[ . 1 . 2]" 1
433 1 70 GLU HA 1 71 LEU H 5.000 . 5.000 3.590 3.584 3.609 . 0 0 "[ . 1 . 2]" 1
434 1 70 GLU HA 1 73 THR H 5.000 . 5.000 3.356 3.276 3.452 . 0 0 "[ . 1 . 2]" 1
435 1 70 GLU HA 1 74 ASP H 5.000 . 5.000 3.923 3.794 4.073 . 0 0 "[ . 1 . 2]" 1
436 1 70 GLU H 1 70 GLU QB 2.900 . 3.500 2.434 2.278 2.455 . 0 0 "[ . 1 . 2]" 1
437 1 70 GLU QB 1 71 LEU H 3.500 . 4.500 2.621 2.545 2.651 . 0 0 "[ . 1 . 2]" 1
438 1 70 GLU H 1 70 GLU QG 2.900 . 3.900 2.504 2.375 3.996 0.096 1 0 "[ . 1 . 2]" 1
439 1 70 GLU H 1 71 LEU H 2.900 . 2.900 2.618 2.597 2.659 . 0 0 "[ . 1 . 2]" 1
440 1 70 GLU HA 1 73 THR MG 3.500 . 5.000 4.124 4.066 4.158 . 0 0 "[ . 1 . 2]" 1
441 1 71 LEU H 1 71 LEU HA 2.900 . 2.900 2.865 2.858 2.877 . 0 0 "[ . 1 . 2]" 1
442 1 71 LEU HA 1 72 SER H 5.000 . 5.000 3.597 3.585 3.614 . 0 0 "[ . 1 . 2]" 1
443 1 71 LEU HA 1 74 ASP H 3.500 . 3.500 3.307 3.217 3.428 . 0 0 "[ . 1 . 2]" 1
444 1 71 LEU H 1 71 LEU QB 3.500 . 4.100 2.312 2.190 2.447 . 0 0 "[ . 1 . 2]" 1
445 1 71 LEU QB 1 72 SER H 5.000 . 6.000 2.563 2.482 2.698 . 0 0 "[ . 1 . 2]" 1
446 1 71 LEU H 1 71 LEU QD 3.500 . 5.200 3.493 2.383 3.813 . 0 0 "[ . 1 . 2]" 1
447 1 71 LEU QD 1 72 SER H 5.000 . 7.400 3.882 3.131 4.150 . 0 0 "[ . 1 . 2]" 1
448 1 71 LEU QD 1 74 ASP H 5.000 . 7.400 4.419 4.202 4.937 . 0 0 "[ . 1 . 2]" 1
449 1 71 LEU H 1 71 LEU HG 5.000 . 5.000 4.102 2.441 4.493 . 0 0 "[ . 1 . 2]" 1
450 1 71 LEU HG 1 72 SER H 5.000 . 5.000 4.121 3.720 5.079 0.079 2 0 "[ . 1 . 2]" 1
451 1 71 LEU H 1 72 SER H 2.900 . 2.900 2.615 2.563 2.655 . 0 0 "[ . 1 . 2]" 1
452 1 71 LEU H 1 73 THR H 5.000 . 5.000 4.018 3.955 4.072 . 0 0 "[ . 1 . 2]" 1
453 1 72 SER HA 1 73 THR H 5.000 . 5.000 3.578 3.567 3.588 . 0 0 "[ . 1 . 2]" 1
454 1 72 SER HA 1 75 VAL H 5.000 . 5.000 3.504 3.371 3.588 . 0 0 "[ . 1 . 2]" 1
455 1 72 SER H 1 72 SER QB 3.500 . 4.100 2.483 2.320 2.580 . 0 0 "[ . 1 . 2]" 1
456 1 72 SER QB 1 73 THR H 5.000 . 6.000 2.697 2.508 3.520 . 0 0 "[ . 1 . 2]" 1
457 1 72 SER H 1 73 THR H 2.900 . 2.900 2.635 2.601 2.658 . 0 0 "[ . 1 . 2]" 1
458 1 72 SER HA 1 134 VAL QG 3.500 . 5.900 3.228 2.848 3.541 . 0 0 "[ . 1 . 2]" 1
459 1 72 SER QB 1 134 VAL QG 3.500 . 6.900 3.676 3.034 4.150 . 0 0 "[ . 1 . 2]" 1
460 1 73 THR HA 1 74 ASP H 5.000 . 5.000 3.603 3.597 3.609 . 0 0 "[ . 1 . 2]" 1
461 1 73 THR HA 1 76 TYR H 3.500 . 3.500 3.310 3.199 3.388 . 0 0 "[ . 1 . 2]" 1
462 1 73 THR HA 1 77 ASP H 3.500 . 3.500 3.677 3.630 3.724 0.224 9 0 "[ . 1 . 2]" 1
463 1 73 THR H 1 73 THR HB 2.900 . 2.900 2.555 2.545 2.563 . 0 0 "[ . 1 . 2]" 1
464 1 73 THR HB 1 74 ASP H 2.900 . 2.900 2.623 2.584 2.667 . 0 0 "[ . 1 . 2]" 1
465 1 73 THR H 1 73 THR MG 3.500 . 5.000 3.791 3.787 3.797 . 0 0 "[ . 1 . 2]" 1
466 1 73 THR MG 1 74 ASP H 3.500 . 5.000 3.515 3.482 3.545 . 0 0 "[ . 1 . 2]" 1
467 1 73 THR MG 1 77 ASP H 5.000 . 6.500 3.510 3.478 3.596 . 0 0 "[ . 1 . 2]" 1
468 1 73 THR MG 1 76 TYR QD 5.000 . 6.500 3.423 3.204 3.611 . 0 0 "[ . 1 . 2]" 1
469 1 73 THR H 1 74 ASP H 2.900 . 2.900 2.622 2.583 2.659 . 0 0 "[ . 1 . 2]" 1
470 1 74 ASP H 1 74 ASP HA 2.900 . 2.900 2.851 2.848 2.855 . 0 0 "[ . 1 . 2]" 1
471 1 74 ASP HA 1 75 VAL H 5.000 . 5.000 3.605 3.597 3.618 . 0 0 "[ . 1 . 2]" 1
472 1 74 ASP HA 1 77 ASP H 5.000 . 5.000 3.502 3.399 3.554 . 0 0 "[ . 1 . 2]" 1
473 1 74 ASP H 1 74 ASP QB 3.500 . 4.100 2.425 2.274 2.444 . 0 0 "[ . 1 . 2]" 1
474 1 74 ASP QB 1 75 VAL H 3.500 . 4.500 2.593 2.494 2.621 . 0 0 "[ . 1 . 2]" 1
475 1 74 ASP H 1 75 VAL QG 5.000 . 7.400 4.187 4.150 4.235 . 0 0 "[ . 1 . 2]" 1
476 1 74 ASP H 1 75 VAL H 2.900 . 2.900 2.684 2.661 2.723 . 0 0 "[ . 1 . 2]" 1
477 1 74 ASP H 1 119 LEU QD 5.000 . 7.400 4.786 4.321 5.165 . 0 0 "[ . 1 . 2]" 1
478 1 75 VAL HA 1 76 TYR H 5.000 . 5.000 3.586 3.574 3.599 . 0 0 "[ . 1 . 2]" 1
479 1 75 VAL HA 1 78 GLU H 3.500 . 3.500 3.407 3.345 3.464 . 0 0 "[ . 1 . 2]" 1
480 1 75 VAL HA 1 79 LEU H 5.000 . 5.000 4.063 3.974 4.185 . 0 0 "[ . 1 . 2]" 1
481 1 75 VAL H 1 75 VAL HB 2.900 . 2.900 2.471 2.459 2.476 . 0 0 "[ . 1 . 2]" 1
482 1 75 VAL HB 1 76 TYR H 3.500 . 3.500 2.568 2.545 2.588 . 0 0 "[ . 1 . 2]" 1
483 1 75 VAL QG 1 131 ALA H 5.000 . 7.400 4.294 4.028 4.460 . 0 0 "[ . 1 . 2]" 1
484 1 75 VAL H 1 75 VAL QG 2.900 . 4.600 2.209 2.190 2.230 . 0 0 "[ . 1 . 2]" 1
485 1 75 VAL QG 1 76 TYR H 3.500 . 5.900 3.131 3.110 3.152 . 0 0 "[ . 1 . 2]" 1
486 1 75 VAL H 1 76 TYR H 2.900 . 2.900 2.586 2.555 2.630 . 0 0 "[ . 1 . 2]" 1
487 1 75 VAL H 1 119 LEU QD 3.500 . 5.900 3.802 3.250 4.160 . 0 0 "[ . 1 . 2]" 1
488 1 75 VAL QG 1 131 ALA HA 2.700 . 5.100 2.969 2.718 3.292 . 0 0 "[ . 1 . 2]" 1
489 1 75 VAL QG 1 119 LEU QD 2.700 . 6.600 2.669 2.213 3.082 . 0 0 "[ . 1 . 2]" 1
490 1 75 VAL QG 1 130 LEU QD 2.700 . 6.600 2.305 1.749 3.368 0.051 9 0 "[ . 1 . 2]" 1
491 1 75 VAL QG 1 131 ALA MB 2.700 . 6.600 3.080 2.816 3.450 . 0 0 "[ . 1 . 2]" 1
492 1 75 VAL HA 1 119 LEU QD 2.700 . 5.100 2.789 2.297 3.248 . 0 0 "[ . 1 . 2]" 1
493 1 75 VAL QG 1 127 PHE HZ 2.700 . 5.700 2.700 2.396 3.157 . 0 0 "[ . 1 . 2]" 1
494 1 76 TYR H 1 76 TYR HA 2.900 . 2.900 2.836 2.832 2.842 . 0 0 "[ . 1 . 2]" 1
495 1 76 TYR HA 1 77 ASP H 3.500 . 3.500 3.597 3.589 3.605 0.105 3 0 "[ . 1 . 2]" 1
496 1 76 TYR HA 1 79 LEU H 3.500 . 3.500 3.408 3.230 3.556 0.056 13 0 "[ . 1 . 2]" 1
497 1 76 TYR HA 1 80 LYS H 5.000 . 5.000 4.187 3.897 4.487 . 0 0 "[ . 1 . 2]" 1
498 1 76 TYR H 1 76 TYR QB 2.900 . 3.500 2.280 2.250 2.305 . 0 0 "[ . 1 . 2]" 1
499 1 76 TYR QB 1 77 ASP H 3.500 . 4.500 2.460 2.407 2.510 . 0 0 "[ . 1 . 2]" 1
500 1 76 TYR H 1 76 TYR QD 3.500 . 3.500 4.214 4.196 4.228 0.728 1 20 [+***********-*******] 1
501 1 76 TYR QD 1 77 ASP H 3.500 . 3.500 3.414 3.280 3.562 0.062 16 0 "[ . 1 . 2]" 1
502 1 76 TYR H 1 77 ASP H 2.900 . 2.900 2.729 2.714 2.742 . 0 0 "[ . 1 . 2]" 1
503 1 76 TYR HA 1 79 LEU QD 3.500 . 5.900 2.413 2.097 2.757 . 0 0 "[ . 1 . 2]" 1
504 1 76 TYR QE 1 80 LYS QG 3.500 . 5.900 3.575 2.819 4.477 . 0 0 "[ . 1 . 2]" 1
505 1 76 TYR QE 1 80 LYS QD 3.500 . 5.900 3.073 2.321 4.596 . 0 0 "[ . 1 . 2]" 1
506 1 77 ASP H 1 77 ASP HA 2.900 . 2.900 2.841 2.830 2.849 . 0 0 "[ . 1 . 2]" 1
507 1 77 ASP HA 1 78 GLU H 5.000 . 5.000 3.613 3.593 3.645 . 0 0 "[ . 1 . 2]" 1
508 1 77 ASP HA 1 80 LYS H 3.500 . 3.500 3.396 3.278 3.548 0.048 19 0 "[ . 1 . 2]" 1
509 1 77 ASP HA 1 81 ARG H 5.000 . 5.000 4.270 3.924 4.736 . 0 0 "[ . 1 . 2]" 1
510 1 77 ASP H 1 77 ASP QB 2.900 . 3.500 2.402 2.279 2.441 . 0 0 "[ . 1 . 2]" 1
511 1 77 ASP QB 1 78 GLU H 5.000 . 6.000 2.637 2.516 2.702 . 0 0 "[ . 1 . 2]" 1
512 1 77 ASP QB 1 102 LEU QD 5.000 . 6.000 2.957 2.402 3.572 . 0 0 "[ . 1 . 2]" 1
513 1 77 ASP H 1 78 GLU H 2.900 . 2.900 2.730 2.684 2.805 . 0 0 "[ . 1 . 2]" 1
514 1 77 ASP H 1 79 LEU H 5.000 . 5.000 4.151 4.065 4.262 . 0 0 "[ . 1 . 2]" 1
515 1 77 ASP H 1 102 LEU QD 5.000 . 7.400 5.200 4.524 5.589 . 0 0 "[ . 1 . 2]" 1
516 1 78 GLU HA 1 79 LEU H 5.000 . 5.000 3.593 3.570 3.608 . 0 0 "[ . 1 . 2]" 1
517 1 78 GLU HA 1 81 ARG H 3.500 . 3.500 3.366 3.179 3.516 0.016 17 0 "[ . 1 . 2]" 1
518 1 78 GLU H 1 78 GLU QB 3.500 . 4.100 2.330 2.295 2.374 . 0 0 "[ . 1 . 2]" 1
519 1 78 GLU QB 1 79 LEU H 5.000 . 6.000 2.626 2.535 2.764 . 0 0 "[ . 1 . 2]" 1
520 1 78 GLU H 1 79 LEU H 2.900 . 2.900 2.630 2.548 2.693 . 0 0 "[ . 1 . 2]" 1
521 1 78 GLU H 1 80 LYS H 5.000 . 5.000 4.160 4.044 4.282 . 0 0 "[ . 1 . 2]" 1
522 1 78 GLU H 1 102 LEU QD 3.500 . 5.900 3.917 3.402 4.357 . 0 0 "[ . 1 . 2]" 1
523 1 78 GLU H 1 119 LEU QD 3.500 . 5.900 4.010 3.649 4.250 . 0 0 "[ . 1 . 2]" 1
524 1 78 GLU HA 1 102 LEU QD 3.500 . 5.900 2.787 2.184 3.235 . 0 0 "[ . 1 . 2]" 1
525 1 78 GLU QB 1 102 LEU QD 3.500 . 5.900 3.262 2.512 3.894 . 0 0 "[ . 1 . 2]" 1
526 1 79 LEU H 1 79 LEU HA 2.900 . 2.900 2.847 2.838 2.855 . 0 0 "[ . 1 . 2]" 1
527 1 79 LEU HA 1 80 LYS H 5.000 . 5.000 3.608 3.577 3.641 . 0 0 "[ . 1 . 2]" 1
528 1 79 LEU HA 1 82 ARG H 5.000 . 5.000 3.435 3.212 3.852 . 0 0 "[ . 1 . 2]" 1
529 1 79 LEU H 1 79 LEU QB 2.900 . 3.500 2.435 2.406 2.465 . 0 0 "[ . 1 . 2]" 1
530 1 79 LEU QB 1 80 LYS H 3.500 . 4.500 2.625 2.538 2.737 . 0 0 "[ . 1 . 2]" 1
531 1 79 LEU H 1 79 LEU QD 3.500 . 5.200 3.214 3.196 3.238 . 0 0 "[ . 1 . 2]" 1
532 1 79 LEU QD 1 80 LYS H 5.000 . 7.400 4.145 4.077 4.208 . 0 0 "[ . 1 . 2]" 1
533 1 79 LEU H 1 79 LEU HG 3.500 . 3.500 2.438 2.407 2.468 . 0 0 "[ . 1 . 2]" 1
534 1 79 LEU HG 1 80 LYS H 5.000 . 5.000 4.502 4.431 4.563 . 0 0 "[ . 1 . 2]" 1
535 1 79 LEU H 1 127 PHE QE 5.000 . 5.000 4.600 4.366 4.762 . 0 0 "[ . 1 . 2]" 1
536 1 79 LEU H 1 127 PHE HZ 3.500 . 3.500 3.542 3.266 3.683 0.183 14 0 "[ . 1 . 2]" 1
537 1 79 LEU HA 1 127 PHE HZ 3.500 . 3.500 3.631 3.556 3.762 0.262 2 0 "[ . 1 . 2]" 1
538 1 79 LEU QB 1 127 PHE HZ 3.500 . 5.000 4.370 4.220 4.507 . 0 0 "[ . 1 . 2]" 1
539 1 79 LEU H 1 80 LYS QG 5.000 . 6.000 4.492 4.316 4.647 . 0 0 "[ . 1 . 2]" 1
540 1 79 LEU H 1 80 LYS H 2.900 . 2.900 2.710 2.667 2.785 . 0 0 "[ . 1 . 2]" 1
541 1 79 LEU H 1 81 ARG H 5.000 . 5.000 4.117 3.979 4.280 . 0 0 "[ . 1 . 2]" 1
542 1 79 LEU QD 1 83 GLU QG 3.500 . 6.900 4.073 3.897 4.251 . 0 0 "[ . 1 . 2]" 1
543 1 79 LEU QD 1 127 PHE QE 3.500 . 5.900 1.996 1.898 2.224 . 0 0 "[ . 1 . 2]" 1
544 1 80 LYS H 1 80 LYS HA 2.900 . 2.900 2.865 2.842 2.895 . 0 0 "[ . 1 . 2]" 1
545 1 80 LYS HA 1 81 ARG H 3.500 . 3.500 3.571 3.523 3.593 0.093 4 0 "[ . 1 . 2]" 1
546 1 80 LYS HA 1 83 GLU H 3.500 . 3.500 3.219 2.993 3.382 . 0 0 "[ . 1 . 2]" 1
547 1 80 LYS HA 1 84 GLN H 5.000 . 5.000 4.118 3.850 4.533 . 0 0 "[ . 1 . 2]" 1
548 1 80 LYS H 1 80 LYS QB 2.900 . 3.500 2.487 2.420 2.616 . 0 0 "[ . 1 . 2]" 1
549 1 80 LYS QB 1 81 ARG H 5.000 . 6.000 2.967 2.614 3.704 . 0 0 "[ . 1 . 2]" 1
550 1 80 LYS H 1 80 LYS QD 3.500 . 4.500 3.796 3.566 4.002 . 0 0 "[ . 1 . 2]" 1
551 1 80 LYS H 1 80 LYS QG 2.900 . 3.900 2.394 2.266 2.546 . 0 0 "[ . 1 . 2]" 1
552 1 80 LYS QG 1 81 ARG H 5.000 . 6.000 3.701 2.419 4.355 . 0 0 "[ . 1 . 2]" 1
553 1 80 LYS H 1 81 ARG H 2.900 . 2.900 2.622 2.529 2.710 . 0 0 "[ . 1 . 2]" 1
554 1 81 ARG H 1 81 ARG HA 2.900 . 2.900 2.860 2.838 2.887 . 0 0 "[ . 1 . 2]" 1
555 1 81 ARG HA 1 82 ARG H 3.500 . 3.500 3.585 3.572 3.611 0.111 13 0 "[ . 1 . 2]" 1
556 1 81 ARG HA 1 84 GLN H 3.500 . 3.500 3.361 3.175 3.572 0.072 13 0 "[ . 1 . 2]" 1
557 1 81 ARG H 1 81 ARG QB 2.900 . 3.500 2.355 2.236 2.478 . 0 0 "[ . 1 . 2]" 1
558 1 81 ARG QB 1 82 ARG H 5.000 . 6.000 2.589 2.420 2.749 . 0 0 "[ . 1 . 2]" 1
559 1 81 ARG H 1 82 ARG H 2.900 . 2.900 2.627 2.485 2.767 . 0 0 "[ . 1 . 2]" 1
560 1 81 ARG H 1 83 GLU H 5.000 . 5.000 4.000 3.845 4.070 . 0 0 "[ . 1 . 2]" 1
561 1 82 ARG H 1 82 ARG HA 2.900 . 2.900 2.861 2.855 2.873 . 0 0 "[ . 1 . 2]" 1
562 1 82 ARG HA 1 83 GLU H 5.000 . 5.000 3.583 3.567 3.597 . 0 0 "[ . 1 . 2]" 1
563 1 82 ARG HA 1 85 VAL H 3.500 . 3.500 3.295 3.153 3.395 . 0 0 "[ . 1 . 2]" 1
564 1 82 ARG HA 1 86 ALA H 5.000 . 5.000 4.143 3.883 4.722 . 0 0 "[ . 1 . 2]" 1
565 1 82 ARG H 1 82 ARG QB 3.500 . 4.100 2.433 2.249 2.505 . 0 0 "[ . 1 . 2]" 1
566 1 82 ARG QB 1 83 GLU H 5.000 . 6.000 2.694 2.602 2.771 . 0 0 "[ . 1 . 2]" 1
567 1 82 ARG H 1 82 ARG QD 5.000 . 6.000 3.830 2.459 4.772 . 0 0 "[ . 1 . 2]" 1
568 1 82 ARG HE 1 120 SER HA 5.000 . 5.000 4.441 3.109 5.103 0.103 8 0 "[ . 1 . 2]" 1
569 1 82 ARG H 1 83 GLU H 2.900 . 2.900 2.612 2.575 2.670 . 0 0 "[ . 1 . 2]" 1
570 1 82 ARG HA 1 85 VAL QG 3.500 . 5.900 2.693 2.196 2.969 . 0 0 "[ . 1 . 2]" 1
571 1 83 GLU H 1 83 GLU HA 2.900 . 2.900 2.856 2.848 2.862 . 0 0 "[ . 1 . 2]" 1
572 1 83 GLU HA 1 84 GLN H 3.500 . 3.500 3.585 3.533 3.596 0.096 7 0 "[ . 1 . 2]" 1
573 1 83 GLU HA 1 86 ALA H 3.500 . 3.500 3.265 3.053 3.359 . 0 0 "[ . 1 . 2]" 1
574 1 83 GLU HA 1 87 ARG H 5.000 . 5.000 4.092 4.004 4.184 . 0 0 "[ . 1 . 2]" 1
575 1 83 GLU H 1 83 GLU QB 2.900 . 3.500 2.442 2.428 2.456 . 0 0 "[ . 1 . 2]" 1
576 1 83 GLU QB 1 84 GLN H 3.500 . 4.500 2.692 2.648 2.971 . 0 0 "[ . 1 . 2]" 1
577 1 83 GLU H 1 83 GLU QG 2.900 . 3.900 2.440 2.413 2.455 . 0 0 "[ . 1 . 2]" 1
578 1 83 GLU QG 1 84 GLN H 5.000 . 6.000 4.249 4.222 4.362 . 0 0 "[ . 1 . 2]" 1
579 1 83 GLU H 1 84 GLN H 2.900 . 2.900 2.643 2.613 2.682 . 0 0 "[ . 1 . 2]" 1
580 1 83 GLU HA 1 86 ALA MB 2.700 . 4.200 2.578 2.385 2.670 . 0 0 "[ . 1 . 2]" 1
581 1 84 GLN H 1 84 GLN HA 2.900 . 2.900 2.862 2.856 2.869 . 0 0 "[ . 1 . 2]" 1
582 1 84 GLN HA 1 85 VAL H 3.500 . 3.500 3.572 3.566 3.577 0.077 17 0 "[ . 1 . 2]" 1
583 1 84 GLN HA 1 87 ARG H 3.500 . 3.500 3.276 3.187 3.422 . 0 0 "[ . 1 . 2]" 1
584 1 84 GLN H 1 84 GLN QB 2.900 . 3.500 2.450 2.433 2.498 . 0 0 "[ . 1 . 2]" 1
585 1 84 GLN QB 1 85 VAL H 2.900 . 3.900 2.637 2.612 2.667 . 0 0 "[ . 1 . 2]" 1
586 1 84 GLN H 1 84 GLN QG 2.900 . 3.900 2.440 2.364 2.478 . 0 0 "[ . 1 . 2]" 1
587 1 84 GLN QG 1 85 VAL H 5.000 . 6.000 4.193 4.103 4.224 . 0 0 "[ . 1 . 2]" 1
588 1 84 GLN H 1 85 VAL QG 3.500 . 5.900 4.075 3.993 4.146 . 0 0 "[ . 1 . 2]" 1
589 1 84 GLN H 1 85 VAL H 2.900 . 2.900 2.599 2.565 2.617 . 0 0 "[ . 1 . 2]" 1
590 1 85 VAL H 1 85 VAL HA 2.900 . 2.900 2.855 2.845 2.865 . 0 0 "[ . 1 . 2]" 1
591 1 85 VAL HA 1 86 ALA H 3.500 . 3.500 3.577 3.566 3.587 0.087 1 0 "[ . 1 . 2]" 1
592 1 85 VAL HA 1 88 ARG H 5.000 . 5.000 3.434 3.321 3.796 . 0 0 "[ . 1 . 2]" 1
593 1 85 VAL H 1 85 VAL HB 2.900 . 2.900 2.486 2.464 2.505 . 0 0 "[ . 1 . 2]" 1
594 1 85 VAL HB 1 86 ALA H 2.900 . 2.900 2.550 2.495 2.594 . 0 0 "[ . 1 . 2]" 1
595 1 85 VAL H 1 85 VAL QG 2.900 . 4.600 2.217 2.117 2.313 . 0 0 "[ . 1 . 2]" 1
596 1 85 VAL QG 1 86 ALA H 2.900 . 5.300 3.145 3.127 3.177 . 0 0 "[ . 1 . 2]" 1
597 1 85 VAL H 1 86 ALA H 2.900 . 2.900 2.608 2.552 2.641 . 0 0 "[ . 1 . 2]" 1
598 1 85 VAL H 1 87 ARG H 5.000 . 5.000 4.049 4.007 4.143 . 0 0 "[ . 1 . 2]" 1
599 1 85 VAL H 1 98 PRO QG 3.500 . 4.500 3.946 3.319 4.294 . 0 0 "[ . 1 . 2]" 1
600 1 85 VAL QG 1 86 ALA HA 3.500 . 5.900 3.203 3.154 3.268 . 0 0 "[ . 1 . 2]" 1
601 1 85 VAL QG 1 98 PRO QB 2.700 . 5.100 2.599 2.001 3.018 . 0 0 "[ . 1 . 2]" 1
602 1 85 VAL QG 1 98 PRO QG 2.700 . 5.100 1.943 1.697 2.645 0.103 8 0 "[ . 1 . 2]" 1
603 1 86 ALA H 1 86 ALA HA 2.900 . 2.900 2.845 2.839 2.852 . 0 0 "[ . 1 . 2]" 1
604 1 86 ALA HA 1 87 ARG H 3.500 . 3.500 3.584 3.572 3.603 0.103 5 0 "[ . 1 . 2]" 1
605 1 86 ALA HA 1 88 ARG H 5.000 . 5.000 4.142 3.606 4.299 . 0 0 "[ . 1 . 2]" 1
606 1 86 ALA H 1 86 ALA MB 2.900 . 4.000 2.286 2.281 2.298 . 0 0 "[ . 1 . 2]" 1
607 1 86 ALA MB 1 87 ARG H 2.900 . 4.400 2.556 2.505 2.625 . 0 0 "[ . 1 . 2]" 1
608 1 86 ALA MB 1 88 ARG H 3.500 . 5.000 4.396 4.215 4.450 . 0 0 "[ . 1 . 2]" 1
609 1 86 ALA H 1 87 ARG H 2.900 . 2.900 2.668 2.650 2.724 . 0 0 "[ . 1 . 2]" 1
610 1 87 ARG H 1 87 ARG HA 2.900 . 2.900 2.867 2.845 2.955 0.055 20 0 "[ . 1 . 2]" 1
611 1 87 ARG HA 1 88 ARG H . . 2.900 3.506 3.115 3.581 0.681 4 17 "[***+. ******-******2]" 1
612 1 87 ARG H 1 87 ARG QB 2.900 . 3.500 2.469 2.416 2.706 . 0 0 "[ . 1 . 2]" 1
613 1 87 ARG H 1 87 ARG QD 3.500 . 4.500 3.869 3.750 4.193 . 0 0 "[ . 1 . 2]" 1
614 1 87 ARG H 1 87 ARG QG 2.900 . 3.900 2.410 2.094 2.536 . 0 0 "[ . 1 . 2]" 1
615 1 87 ARG H 1 88 ARG H 2.900 . 2.900 2.643 2.578 2.801 . 0 0 "[ . 1 . 2]" 1
616 1 88 ARG H 1 88 ARG HA 2.900 . 2.900 2.878 2.864 2.971 0.071 1 0 "[ . 1 . 2]" 1
617 1 88 ARG HA 1 89 GLY H . . 2.900 3.532 2.891 3.575 0.675 5 19 "[ ***+-**************]" 1
618 1 88 ARG H 1 88 ARG QB 2.900 . 3.500 2.479 2.427 2.558 . 0 0 "[ . 1 . 2]" 1
619 1 88 ARG QB 1 89 GLY H 2.900 . 3.900 2.679 2.408 3.767 . 0 0 "[ . 1 . 2]" 1
620 1 88 ARG H 1 88 ARG QD 3.500 . 4.500 3.815 3.575 4.161 . 0 0 "[ . 1 . 2]" 1
621 1 88 ARG H 1 88 ARG QG 2.900 . 3.900 2.383 2.271 2.586 . 0 0 "[ . 1 . 2]" 1
622 1 88 ARG QG 1 89 GLY H 3.500 . 4.500 3.895 2.257 4.402 . 0 0 "[ . 1 . 2]" 1
623 1 88 ARG H 1 89 GLY H 2.900 . 2.900 2.565 2.510 2.755 . 0 0 "[ . 1 . 2]" 1
624 1 88 ARG H 1 92 ALA MB 5.000 . 6.500 4.710 4.581 4.933 . 0 0 "[ . 1 . 2]" 1
625 1 88 ARG HA 1 92 ALA MB 3.500 . 5.000 3.486 2.245 4.039 . 0 0 "[ . 1 . 2]" 1
626 1 88 ARG QB 1 92 ALA MB 2.700 . 5.200 2.063 1.893 2.749 . 0 0 "[ . 1 . 2]" 1
627 1 88 ARG QG 1 92 ALA MB 2.700 . 5.200 3.387 2.038 3.757 . 0 0 "[ . 1 . 2]" 1
628 1 88 ARG QD 1 92 ALA MB 2.700 . 5.200 3.258 2.304 3.956 . 0 0 "[ . 1 . 2]" 1
629 1 89 GLY H 1 90 PRO QD 3.500 . 4.500 3.915 2.200 4.175 . 0 0 "[ . 1 . 2]" 1
630 1 89 GLY H 1 92 ALA MB 2.900 . 4.400 3.747 3.673 3.850 . 0 0 "[ . 1 . 2]" 1
631 1 90 PRO HA 1 91 ASN H 5.000 . 5.000 2.989 2.222 3.506 . 0 0 "[ . 1 . 2]" 1
632 1 90 PRO HA 1 92 ALA H 3.500 . 3.500 3.466 3.324 3.586 0.086 5 0 "[ . 1 . 2]" 1
633 1 91 ASN HA 1 92 ALA H 2.900 . 2.900 2.982 2.837 3.128 0.228 18 0 "[ . 1 . 2]" 1
634 1 91 ASN QB 1 92 ALA H 5.000 . 6.000 3.799 3.635 4.039 . 0 0 "[ . 1 . 2]" 1
635 1 91 ASN H 1 92 ALA H 3.500 . 3.500 2.543 2.411 2.679 . 0 0 "[ . 1 . 2]" 1
636 1 92 ALA H 1 92 ALA HA 2.900 . 2.900 2.908 2.885 2.977 0.077 13 0 "[ . 1 . 2]" 1
637 1 92 ALA H 1 92 ALA MB 2.900 . 4.000 2.268 2.149 2.623 . 0 0 "[ . 1 . 2]" 1
638 1 92 ALA H 1 93 PRO QD 5.000 . 6.000 4.325 4.178 4.372 . 0 0 "[ . 1 . 2]" 1
639 1 92 ALA MB 1 93 PRO QD 2.700 . 5.700 2.297 2.063 2.910 . 0 0 "[ . 1 . 2]" 1
640 1 93 PRO HA 1 95 GLU H 5.000 . 5.000 3.983 3.806 4.083 . 0 0 "[ . 1 . 2]" 1
641 1 93 PRO QB 1 95 GLU H 3.500 . 4.500 2.624 2.340 3.050 . 0 0 "[ . 1 . 2]" 1
642 1 93 PRO QB 1 96 THR H 3.500 . 4.500 2.894 2.371 3.460 . 0 0 "[ . 1 . 2]" 1
643 1 94 PRO HA 1 95 GLU H . . 2.900 3.511 3.489 3.531 0.631 10 20 [*****-***+**********] 1
644 1 94 PRO HA 1 96 THR H 5.000 . 5.000 4.056 3.635 4.248 . 0 0 "[ . 1 . 2]" 1
645 1 94 PRO HA 1 97 ALA H 3.500 . 3.500 3.188 3.084 3.538 0.038 17 0 "[ . 1 . 2]" 1
646 1 94 PRO QB 1 95 GLU H 2.900 . 3.900 3.441 3.385 3.494 . 0 0 "[ . 1 . 2]" 1
647 1 94 PRO QD 1 95 GLU H 2.900 . 3.900 2.668 2.431 2.761 . 0 0 "[ . 1 . 2]" 1
648 1 94 PRO QG 1 95 GLU H 2.900 . 3.900 2.689 2.608 2.764 . 0 0 "[ . 1 . 2]" 1
649 1 94 PRO HA 1 97 ALA MB 2.700 . 4.200 1.987 1.791 2.303 0.009 20 0 "[ . 1 . 2]" 1
650 1 95 GLU H 1 95 GLU HA 2.900 . 2.900 2.879 2.863 2.907 0.007 17 0 "[ . 1 . 2]" 1
651 1 95 GLU HA 1 96 THR H 3.500 . 3.500 3.531 3.431 3.565 0.065 9 0 "[ . 1 . 2]" 1
652 1 95 GLU HA 1 97 ALA H 3.500 . 3.500 3.708 3.587 3.798 0.298 19 0 "[ . 1 . 2]" 1
653 1 95 GLU H 1 95 GLU QB 2.900 . 3.500 2.484 2.440 2.585 . 0 0 "[ . 1 . 2]" 1
654 1 95 GLU QB 1 96 THR H 3.500 . 4.500 2.954 2.596 3.772 . 0 0 "[ . 1 . 2]" 1
655 1 95 GLU H 1 95 GLU QG 2.900 . 3.900 2.341 2.225 2.404 . 0 0 "[ . 1 . 2]" 1
656 1 95 GLU QG 1 96 THR H 3.500 . 4.500 3.682 2.611 4.139 . 0 0 "[ . 1 . 2]" 1
657 1 95 GLU H 1 96 THR MG 5.000 . 6.500 4.295 4.027 5.681 . 0 0 "[ . 1 . 2]" 1
658 1 95 GLU H 1 96 THR H 2.900 . 2.900 2.514 2.344 2.593 . 0 0 "[ . 1 . 2]" 1
659 1 95 GLU H 1 97 ALA H 5.000 . 5.000 3.736 3.613 4.158 . 0 0 "[ . 1 . 2]" 1
660 1 96 THR H 1 96 THR HA 2.900 . 2.900 2.975 2.962 2.987 0.087 2 0 "[ . 1 . 2]" 1
661 1 96 THR HA 1 97 ALA H . . 2.900 3.123 2.863 3.219 0.319 6 0 "[ . 1 . 2]" 1
662 1 96 THR H 1 96 THR HB 3.500 . 3.500 3.682 2.909 3.776 0.276 13 0 "[ . 1 . 2]" 1
663 1 96 THR H 1 96 THR MG 2.900 . 4.400 2.656 2.460 3.894 . 0 0 "[ . 1 . 2]" 1
664 1 96 THR MG 1 97 ALA H 3.500 . 5.000 4.218 4.186 4.247 . 0 0 "[ . 1 . 2]" 1
665 1 96 THR H 1 97 ALA MB 3.500 . 5.000 3.925 3.407 4.075 . 0 0 "[ . 1 . 2]" 1
666 1 96 THR H 1 97 ALA H 2.900 . 2.900 2.395 2.184 2.594 . 0 0 "[ . 1 . 2]" 1
667 1 97 ALA H 1 97 ALA HA 2.900 . 2.900 2.907 2.887 2.982 0.082 13 0 "[ . 1 . 2]" 1
668 1 97 ALA H 1 97 ALA MB 2.900 . 4.000 2.284 2.188 2.553 . 0 0 "[ . 1 . 2]" 1
669 1 97 ALA H 1 98 PRO QD 5.000 . 6.000 4.255 4.150 4.339 . 0 0 "[ . 1 . 2]" 1
670 1 97 ALA MB 1 98 PRO QD 2.700 . 5.700 2.663 2.020 2.997 . 0 0 "[ . 1 . 2]" 1
671 1 99 PRO HA 1 100 ASP H 2.900 . 2.900 2.329 2.197 3.383 0.483 8 0 "[ . 1 . 2]" 1
672 1 99 PRO HA 1 101 PHE H 3.500 . 3.500 3.646 3.513 3.955 0.455 8 0 "[ . 1 . 2]" 1
673 1 99 PRO QB 1 100 ASP H 2.900 . 3.900 2.969 2.741 3.539 . 0 0 "[ . 1 . 2]" 1
674 1 99 PRO QB 1 101 PHE H 2.900 . 3.900 2.242 2.004 2.689 . 0 0 "[ . 1 . 2]" 1
675 1 99 PRO QB 1 103 LEU QD 3.500 . 6.500 2.635 2.006 3.212 . 0 0 "[ . 1 . 2]" 1
676 1 99 PRO QD 1 103 LEU QD 3.500 . 6.500 3.871 3.194 4.301 . 0 0 "[ . 1 . 2]" 1
677 1 100 ASP H 1 100 ASP HA 2.900 . 2.900 2.900 2.279 2.958 0.058 6 0 "[ . 1 . 2]" 1
678 1 100 ASP HA 1 101 PHE H 3.500 . 3.500 3.341 3.210 3.482 . 0 0 "[ . 1 . 2]" 1
679 1 100 ASP H 1 100 ASP QB 2.900 . 3.500 2.555 2.376 3.450 . 0 0 "[ . 1 . 2]" 1
680 1 100 ASP QB 1 101 PHE H 3.500 . 4.500 3.433 3.033 3.965 . 0 0 "[ . 1 . 2]" 1
681 1 100 ASP H 1 101 PHE H 2.900 . 2.900 2.405 2.246 2.557 . 0 0 "[ . 1 . 2]" 1
682 1 101 PHE HA 1 102 LEU H 3.500 . 3.500 2.368 2.168 2.619 . 0 0 "[ . 1 . 2]" 1
683 1 101 PHE QB 1 102 LEU H 5.000 . 6.000 2.734 2.075 3.854 . 0 0 "[ . 1 . 2]" 1
684 1 101 PHE H 1 101 PHE QD 3.500 . 3.500 3.281 2.979 4.278 0.778 8 4 "[ .- +*1 * . 2]" 1
685 1 101 PHE H 1 102 LEU H 5.000 . 5.000 4.376 4.216 4.426 . 0 0 "[ . 1 . 2]" 1
686 1 101 PHE H 1 103 LEU QD 3.500 . 5.900 4.152 3.734 4.406 . 0 0 "[ . 1 . 2]" 1
687 1 101 PHE QD 1 103 LEU HA 3.500 . 6.500 3.332 2.286 3.841 . 0 0 "[ . 1 . 2]" 1
688 1 101 PHE QD 1 103 LEU QD 3.500 . 6.500 3.076 2.035 3.694 . 0 0 "[ . 1 . 2]" 1
689 1 101 PHE QE 1 103 LEU QD 3.500 . 6.500 2.607 2.136 3.167 . 0 0 "[ . 1 . 2]" 1
690 1 101 PHE QD 1 117 GLN HA 3.500 . 6.500 4.031 2.949 4.851 . 0 0 "[ . 1 . 2]" 1
691 1 101 PHE QD 1 117 GLN QB 3.500 . 5.900 4.098 3.716 4.814 . 0 0 "[ . 1 . 2]" 1
692 1 101 PHE QD 1 117 GLN QG 3.500 . 5.900 3.139 2.466 4.183 . 0 0 "[ . 1 . 2]" 1
693 1 101 PHE QD 1 117 GLN QE 3.500 . 5.900 3.868 2.588 4.681 . 0 0 "[ . 1 . 2]" 1
694 1 102 LEU HA 1 103 LEU H 2.900 . 2.900 2.220 2.127 3.256 0.356 20 0 "[ . 1 . 2]" 1
695 1 102 LEU QD 1 103 LEU H 3.500 . 5.900 3.691 3.249 4.317 . 0 0 "[ . 1 . 2]" 1
696 1 102 LEU QD 1 116 ARG H 5.000 . 7.000 4.921 4.754 5.331 . 0 0 "[ . 1 . 2]" 1
697 1 102 LEU H 1 102 LEU HG 5.000 . 5.000 2.862 1.859 4.296 . 0 0 "[ . 1 . 2]" 1
698 1 102 LEU H 1 117 GLN HA 5.000 . 5.000 3.619 2.837 4.431 . 0 0 "[ . 1 . 2]" 1
699 1 103 LEU H 1 103 LEU QB 3.500 . 4.100 2.528 2.406 3.489 . 0 0 "[ . 1 . 2]" 1
700 1 103 LEU H 1 103 LEU QD 3.500 . 5.200 2.871 1.810 3.248 . 0 0 "[ . 1 . 2]" 1
701 1 103 LEU H 1 103 LEU HG . . 2.900 2.663 2.247 3.846 0.946 6 4 "[ .+ 1 -* * 2]" 1
702 1 103 LEU H 1 104 PRO QD 5.000 . 6.000 4.284 3.574 4.361 . 0 0 "[ . 1 . 2]" 1
703 1 104 PRO HA 1 105 GLN H 2.900 . 2.900 2.288 2.198 2.344 . 0 0 "[ . 1 . 2]" 1
704 1 104 PRO HA 1 113 ASN QD 5.000 . 6.500 3.548 2.505 4.349 . 0 0 "[ . 1 . 2]" 1
705 1 104 PRO QB 1 105 GLN H 3.500 . 4.500 2.848 2.710 3.116 . 0 0 "[ . 1 . 2]" 1
706 1 104 PRO QG 1 105 GLN H 5.000 . 6.000 4.401 4.273 4.636 . 0 0 "[ . 1 . 2]" 1
707 1 105 GLN H 1 105 GLN QB 3.500 . 4.100 2.736 2.573 3.254 . 0 0 "[ . 1 . 2]" 1
708 1 105 GLN QB 1 107 ASN H 5.000 . 6.000 2.329 2.148 2.494 . 0 0 "[ . 1 . 2]" 1
709 1 105 GLN QB 1 108 PHE H 5.000 . 6.000 3.040 2.595 4.142 . 0 0 "[ . 1 . 2]" 1
710 1 105 GLN QE 1 108 PHE QD 5.000 . 5.000 3.633 3.001 4.324 . 0 0 "[ . 1 . 2]" 1
711 1 105 GLN QE 1 108 PHE QE 5.000 . 5.000 2.431 1.915 3.519 . 0 0 "[ . 1 . 2]" 1
712 1 105 GLN H 1 105 GLN QG 2.900 . 3.900 2.981 2.356 3.193 . 0 0 "[ . 1 . 2]" 1
713 1 105 GLN QG 1 108 PHE H 5.000 . 6.000 4.758 2.289 5.336 . 0 0 "[ . 1 . 2]" 1
714 1 105 GLN H 1 113 ASN QD 5.000 . 5.000 2.528 1.789 3.197 0.011 16 0 "[ . 1 . 2]" 1
715 1 105 GLN H 1 108 PHE QD 5.000 . 5.000 3.598 2.367 4.207 . 0 0 "[ . 1 . 2]" 1
716 1 105 GLN H 1 108 PHE QE 5.000 . 5.000 5.306 3.964 5.892 0.892 4 11 "[* *+. 1*- ** ****]" 1
717 1 105 GLN QB 1 108 PHE QE 5.000 . 7.000 3.726 3.087 5.096 . 0 0 "[ . 1 . 2]" 1
718 1 105 GLN QG 1 108 PHE QE 5.000 . 7.000 3.752 2.722 4.438 . 0 0 "[ . 1 . 2]" 1
719 1 105 GLN H 1 108 PHE H 5.000 . 5.000 4.140 3.677 4.538 . 0 0 "[ . 1 . 2]" 1
720 1 105 GLN QG 1 108 PHE QD 3.500 . 5.900 3.573 2.282 4.350 . 0 0 "[ . 1 . 2]" 1
721 1 106 ASP HA 1 107 ASN H 3.500 . 3.500 3.405 3.222 3.535 0.035 5 0 "[ . 1 . 2]" 1
722 1 106 ASP HA 1 108 PHE H 3.500 . 3.500 3.492 3.307 3.695 0.195 3 0 "[ . 1 . 2]" 1
723 1 106 ASP QB 1 107 ASN H 3.500 . 4.500 3.338 2.964 3.973 . 0 0 "[ . 1 . 2]" 1
724 1 108 PHE QB 1 113 ASN QD 5.000 . 6.000 2.899 2.338 3.400 . 0 0 "[ . 1 . 2]" 1
725 1 107 ASN H 1 107 ASN HA 2.900 . 2.900 2.929 2.875 2.964 0.064 11 0 "[ . 1 . 2]" 1
726 1 107 ASN HA 1 108 PHE H 3.500 . 3.500 3.397 3.289 3.532 0.032 17 0 "[ . 1 . 2]" 1
727 1 107 ASN H 1 107 ASN QB 3.500 . 4.100 2.686 2.290 3.067 . 0 0 "[ . 1 . 2]" 1
728 1 107 ASN QB 1 108 PHE H 5.000 . 6.000 3.573 2.842 3.937 . 0 0 "[ . 1 . 2]" 1
729 1 107 ASN QD 1 108 PHE QD 5.000 . 5.000 3.543 2.951 4.137 . 0 0 "[ . 1 . 2]" 1
730 1 107 ASN QD 1 108 PHE QE 5.000 . 5.000 2.723 2.184 3.411 . 0 0 "[ . 1 . 2]" 1
731 1 107 ASN H 1 108 PHE H 2.900 . 2.900 2.361 2.153 2.486 . 0 0 "[ . 1 . 2]" 1
732 1 108 PHE H 1 108 PHE HA 2.900 . 2.900 2.984 2.967 2.990 0.090 4 0 "[ . 1 . 2]" 1
733 1 108 PHE HA 1 109 HIS H 2.900 . 2.900 2.322 2.237 2.388 . 0 0 "[ . 1 . 2]" 1
734 1 108 PHE H 1 108 PHE QB 2.900 . 3.500 2.570 2.424 2.740 . 0 0 "[ . 1 . 2]" 1
735 1 108 PHE QB 1 109 HIS H 3.500 . 4.500 2.604 2.461 2.884 . 0 0 "[ . 1 . 2]" 1
736 1 108 PHE QB 1 112 ARG H 5.000 . 6.000 4.507 4.218 5.013 . 0 0 "[ . 1 . 2]" 1
737 1 108 PHE QB 1 113 ASN H 5.000 . 6.000 3.824 3.557 4.088 . 0 0 "[ . 1 . 2]" 1
738 1 108 PHE H 1 108 PHE QD 3.500 . 3.500 3.402 2.823 3.664 0.164 7 0 "[ . 1 . 2]" 1
739 1 108 PHE QD 1 109 HIS H 3.500 . 5.000 3.939 3.738 4.130 . 0 0 "[ . 1 . 2]" 1
740 1 108 PHE QD 1 112 ARG QG 3.500 . 6.000 4.390 2.476 5.137 . 0 0 "[ . 1 . 2]" 1
741 1 108 PHE QD 1 112 ARG QD 3.500 . 6.000 3.391 2.595 4.344 . 0 0 "[ . 1 . 2]" 1
742 1 108 PHE QD 1 116 ARG QD 3.500 . 6.000 3.490 2.427 4.793 . 0 0 "[ . 1 . 2]" 1
743 1 108 PHE H 1 108 PHE QE 5.000 . 5.000 4.997 4.707 5.143 0.143 7 0 "[ . 1 . 2]" 1
744 1 108 PHE QE 1 116 ARG QD 5.000 . 7.000 3.940 2.627 5.302 . 0 0 "[ . 1 . 2]" 1
745 1 108 PHE H 1 109 HIS H 5.000 . 5.000 4.525 4.470 4.593 . 0 0 "[ . 1 . 2]" 1
746 1 109 HIS H 1 109 HIS QB 2.900 . 3.500 2.434 2.393 2.457 . 0 0 "[ . 1 . 2]" 1
747 1 109 HIS QB 1 112 ARG H 3.500 . 4.500 2.672 2.513 2.915 . 0 0 "[ . 1 . 2]" 1
748 1 109 HIS H 1 109 HIS HD2 5.000 . 5.000 4.009 2.875 5.027 0.027 4 0 "[ . 1 . 2]" 1
749 1 109 HIS HD2 1 110 PRO QD 5.000 . 6.000 4.250 3.076 5.359 . 0 0 "[ . 1 . 2]" 1
750 1 109 HIS H 1 110 PRO QD 5.000 . 6.000 4.354 4.344 4.364 . 0 0 "[ . 1 . 2]" 1
751 1 109 HIS H 1 112 ARG QB 5.000 . 6.000 3.041 2.738 3.326 . 0 0 "[ . 1 . 2]" 1
752 1 109 HIS H 1 112 ARG H 5.000 . 5.000 4.161 3.945 4.420 . 0 0 "[ . 1 . 2]" 1
753 1 110 PRO HA 1 111 LYS H 5.000 . 5.000 3.574 3.544 3.603 . 0 0 "[ . 1 . 2]" 1
754 1 110 PRO HA 1 113 ASN QD 3.500 . 5.000 2.758 1.801 4.577 . 0 0 "[ . 1 . 2]" 1
755 1 110 PRO HA 1 113 ASN H 3.500 . 3.500 3.173 3.041 3.355 . 0 0 "[ . 1 . 2]" 1
756 1 110 PRO HA 1 114 GLN H 5.000 . 5.000 4.087 3.970 4.177 . 0 0 "[ . 1 . 2]" 1
757 1 110 PRO QB 1 111 LYS H 5.000 . 6.000 3.017 2.586 3.326 . 0 0 "[ . 1 . 2]" 1
758 1 110 PRO QG 1 111 LYS H 5.000 . 6.000 3.098 2.444 3.946 . 0 0 "[ . 1 . 2]" 1
759 1 111 LYS HA 1 112 ARG H 3.500 . 3.500 3.571 3.552 3.590 0.090 14 0 "[ . 1 . 2]" 1
760 1 111 LYS HA 1 113 ASN H 5.000 . 5.000 4.348 4.280 4.408 . 0 0 "[ . 1 . 2]" 1
761 1 111 LYS HA 1 114 GLN H 3.500 . 3.500 3.335 3.254 3.408 . 0 0 "[ . 1 . 2]" 1
762 1 111 LYS HA 1 115 ALA H . . 3.500 4.153 3.965 4.377 0.877 3 17 "[**+**** ***** -****2]" 1
763 1 111 LYS H 1 111 LYS QB 2.900 . 3.500 2.417 2.308 2.487 . 0 0 "[ . 1 . 2]" 1
764 1 111 LYS QB 1 112 ARG H 3.500 . 4.500 2.599 2.533 2.635 . 0 0 "[ . 1 . 2]" 1
765 1 111 LYS H 1 111 LYS QD 5.000 . 6.000 4.077 3.631 4.758 . 0 0 "[ . 1 . 2]" 1
766 1 111 LYS QG 1 112 ARG H 5.000 . 6.000 4.050 3.710 4.180 . 0 0 "[ . 1 . 2]" 1
767 1 111 LYS H 1 112 ARG H 2.900 . 2.900 2.568 2.479 2.638 . 0 0 "[ . 1 . 2]" 1
768 1 112 ARG H 1 112 ARG HA 2.900 . 2.900 2.865 2.850 2.873 . 0 0 "[ . 1 . 2]" 1
769 1 112 ARG HA 1 113 ASN H 3.500 . 3.500 3.574 3.566 3.586 0.086 3 0 "[ . 1 . 2]" 1
770 1 112 ARG HA 1 114 GLN H 5.000 . 5.000 4.283 4.238 4.383 . 0 0 "[ . 1 . 2]" 1
771 1 112 ARG HA 1 115 ALA H 3.500 . 3.500 3.247 3.140 3.386 . 0 0 "[ . 1 . 2]" 1
772 1 112 ARG HA 1 116 ARG H 5.000 . 5.000 4.136 3.792 4.545 . 0 0 "[ . 1 . 2]" 1
773 1 112 ARG H 1 112 ARG QB 2.900 . 3.500 2.334 2.276 2.447 . 0 0 "[ . 1 . 2]" 1
774 1 112 ARG QB 1 113 ASN H 3.500 . 4.500 2.615 2.495 2.701 . 0 0 "[ . 1 . 2]" 1
775 1 112 ARG H 1 112 ARG QD 5.000 . 6.000 4.490 3.735 4.827 . 0 0 "[ . 1 . 2]" 1
776 1 112 ARG QG 1 113 ASN H 5.000 . 6.000 3.913 3.729 4.238 . 0 0 "[ . 1 . 2]" 1
777 1 112 ARG QG 1 116 ARG H 5.000 . 6.000 4.438 3.866 5.534 . 0 0 "[ . 1 . 2]" 1
778 1 112 ARG H 1 113 ASN QB 5.000 . 6.000 4.603 4.543 4.687 . 0 0 "[ . 1 . 2]" 1
779 1 112 ARG H 1 113 ASN H 2.900 . 2.900 2.567 2.523 2.634 . 0 0 "[ . 1 . 2]" 1
780 1 112 ARG H 1 114 GLN H 5.000 . 5.000 4.038 3.983 4.101 . 0 0 "[ . 1 . 2]" 1
781 1 112 ARG HA 1 115 ALA MB 2.700 . 4.200 2.462 2.282 2.680 . 0 0 "[ . 1 . 2]" 1
782 1 113 ASN HA 1 114 GLN H 5.000 . 5.000 3.589 3.579 3.598 . 0 0 "[ . 1 . 2]" 1
783 1 113 ASN HA 1 116 ARG H 3.500 . 3.500 3.314 3.196 3.461 . 0 0 "[ . 1 . 2]" 1
784 1 113 ASN H 1 113 ASN QB 2.900 . 3.500 2.432 2.402 2.493 . 0 0 "[ . 1 . 2]" 1
785 1 113 ASN QB 1 114 GLN H 3.500 . 4.500 2.656 2.620 2.712 . 0 0 "[ . 1 . 2]" 1
786 1 113 ASN H 1 114 GLN QB 5.000 . 6.000 4.717 4.696 4.770 . 0 0 "[ . 1 . 2]" 1
787 1 113 ASN H 1 114 GLN QG 5.000 . 6.000 4.497 4.468 4.533 . 0 0 "[ . 1 . 2]" 1
788 1 113 ASN H 1 114 GLN H 2.900 . 2.900 2.650 2.626 2.690 . 0 0 "[ . 1 . 2]" 1
789 1 113 ASN H 1 115 ALA H 5.000 . 5.000 4.001 3.947 4.046 . 0 0 "[ . 1 . 2]" 1
790 1 114 GLN H 1 114 GLN HA 2.900 . 2.900 2.873 2.861 2.887 . 0 0 "[ . 1 . 2]" 1
791 1 114 GLN HA 1 115 ALA H 3.500 . 3.500 3.544 3.530 3.553 0.053 7 0 "[ . 1 . 2]" 1
792 1 114 GLN HA 1 116 ARG H 5.000 . 5.000 4.316 4.218 4.430 . 0 0 "[ . 1 . 2]" 1
793 1 114 GLN HA 1 117 GLN H 3.500 . 3.500 3.254 3.165 3.387 . 0 0 "[ . 1 . 2]" 1
794 1 114 GLN H 1 114 GLN QB 2.900 . 3.500 2.439 2.429 2.454 . 0 0 "[ . 1 . 2]" 1
795 1 114 GLN QB 1 115 ALA H 2.900 . 3.900 2.591 2.560 2.656 . 0 0 "[ . 1 . 2]" 1
796 1 114 GLN QB 1 116 ARG H 5.000 . 6.000 4.684 4.639 4.733 . 0 0 "[ . 1 . 2]" 1
797 1 114 GLN H 1 114 GLN QG 2.900 . 3.900 2.417 2.396 2.439 . 0 0 "[ . 1 . 2]" 1
798 1 114 GLN QG 1 115 ALA H 3.500 . 4.500 4.125 4.104 4.151 . 0 0 "[ . 1 . 2]" 1
799 1 114 GLN H 1 115 ALA MB 3.500 . 5.000 4.231 4.164 4.260 . 0 0 "[ . 1 . 2]" 1
800 1 114 GLN H 1 115 ALA H 2.900 . 2.900 2.496 2.463 2.524 . 0 0 "[ . 1 . 2]" 1
801 1 114 GLN QB 1 115 ALA MB 3.500 . 6.000 3.871 3.834 3.932 . 0 0 "[ . 1 . 2]" 1
802 1 115 ALA H 1 115 ALA HA 2.900 . 2.900 2.840 2.831 2.845 . 0 0 "[ . 1 . 2]" 1
803 1 115 ALA HA 1 116 ARG H 3.500 . 3.500 3.590 3.577 3.603 0.103 7 0 "[ . 1 . 2]" 1
804 1 115 ALA HA 1 118 LYS H 3.500 . 3.500 3.282 3.197 3.452 . 0 0 "[ . 1 . 2]" 1
805 1 115 ALA HA 1 119 LEU H 5.000 . 5.000 4.426 4.079 4.986 . 0 0 "[ . 1 . 2]" 1
806 1 115 ALA H 1 115 ALA MB 2.900 . 4.000 2.273 2.126 2.285 . 0 0 "[ . 1 . 2]" 1
807 1 115 ALA MB 1 116 ARG H 2.900 . 4.400 2.547 2.481 2.682 . 0 0 "[ . 1 . 2]" 1
808 1 115 ALA H 1 116 ARG H 2.900 . 2.900 2.677 2.645 2.718 . 0 0 "[ . 1 . 2]" 1
809 1 116 ARG H 1 116 ARG HA 2.900 . 2.900 2.861 2.852 2.870 . 0 0 "[ . 1 . 2]" 1
810 1 116 ARG HA 1 117 GLN H 5.000 . 5.000 3.583 3.566 3.599 . 0 0 "[ . 1 . 2]" 1
811 1 116 ARG HA 1 119 LEU H 3.500 . 3.500 3.387 3.238 3.633 0.133 18 0 "[ . 1 . 2]" 1
812 1 116 ARG H 1 116 ARG QB 3.500 . 4.100 2.430 2.350 2.474 . 0 0 "[ . 1 . 2]" 1
813 1 116 ARG H 1 116 ARG QD 5.000 . 6.000 3.813 2.189 4.420 . 0 0 "[ . 1 . 2]" 1
814 1 116 ARG H 1 116 ARG QG 3.500 . 4.500 2.471 2.330 3.511 . 0 0 "[ . 1 . 2]" 1
815 1 116 ARG QG 1 117 GLN H 5.000 . 6.000 4.212 4.124 4.608 . 0 0 "[ . 1 . 2]" 1
816 1 116 ARG H 1 117 GLN QB 5.000 . 6.000 4.532 4.397 4.731 . 0 0 "[ . 1 . 2]" 1
817 1 116 ARG H 1 117 GLN H 2.900 . 2.900 2.608 2.561 2.661 . 0 0 "[ . 1 . 2]" 1
818 1 116 ARG H 1 119 LEU QD 5.000 . 7.400 4.713 4.401 5.288 . 0 0 "[ . 1 . 2]" 1
819 1 116 ARG HA 1 119 LEU QD 3.500 . 5.900 2.554 2.256 3.007 . 0 0 "[ . 1 . 2]" 1
820 1 117 GLN HA 1 120 SER H 5.000 . 5.000 3.271 3.108 3.514 . 0 0 "[ . 1 . 2]" 1
821 1 117 GLN H 1 117 GLN HA 2.900 . 2.900 2.864 2.848 2.885 . 0 0 "[ . 1 . 2]" 1
822 1 117 GLN HA 1 118 LYS H 5.000 . 5.000 3.574 3.510 3.636 . 0 0 "[ . 1 . 2]" 1
823 1 117 GLN H 1 117 GLN QB 2.900 . 3.500 2.354 2.306 2.441 . 0 0 "[ . 1 . 2]" 1
824 1 117 GLN QB 1 118 LYS H 2.900 . 3.900 2.730 2.620 3.038 . 0 0 "[ . 1 . 2]" 1
825 1 117 GLN QB 1 119 LEU H 5.000 . 6.000 4.738 4.562 4.837 . 0 0 "[ . 1 . 2]" 1
826 1 117 GLN H 1 117 GLN QG 3.500 . 4.500 3.484 2.388 4.050 . 0 0 "[ . 1 . 2]" 1
827 1 117 GLN H 1 118 LYS H 2.900 . 2.900 2.604 2.533 2.726 . 0 0 "[ . 1 . 2]" 1
828 1 118 LYS HA 1 120 SER H 5.000 . 5.000 4.268 4.067 4.377 . 0 0 "[ . 1 . 2]" 1
829 1 118 LYS HA 1 121 SER H 3.500 . 3.500 3.170 2.890 3.346 . 0 0 "[ . 1 . 2]" 1
830 1 118 LYS H 1 118 LYS HA 2.900 . 2.900 2.852 2.839 2.878 . 0 0 "[ . 1 . 2]" 1
831 1 118 LYS HA 1 119 LEU H 3.500 . 3.500 3.581 3.522 3.598 0.098 12 0 "[ . 1 . 2]" 1
832 1 118 LYS QB 1 121 SER H 5.000 . 6.000 4.489 4.198 4.733 . 0 0 "[ . 1 . 2]" 1
833 1 118 LYS H 1 118 LYS QB 2.900 . 3.500 2.455 2.430 2.585 . 0 0 "[ . 1 . 2]" 1
834 1 118 LYS QB 1 119 LEU H 2.900 . 3.900 2.766 2.610 3.659 . 0 0 "[ . 1 . 2]" 1
835 1 118 LYS H 1 118 LYS QD 3.500 . 4.500 3.837 3.696 3.979 . 0 0 "[ . 1 . 2]" 1
836 1 118 LYS H 1 118 LYS QE 5.000 . 6.000 4.758 4.505 5.074 . 0 0 "[ . 1 . 2]" 1
837 1 118 LYS H 1 118 LYS QG 2.900 . 3.900 2.418 2.323 2.520 . 0 0 "[ . 1 . 2]" 1
838 1 118 LYS H 1 119 LEU H 2.900 . 2.900 2.658 2.567 2.727 . 0 0 "[ . 1 . 2]" 1
839 1 119 LEU HA 1 120 SER H 3.500 . 3.500 3.578 3.568 3.592 0.092 18 0 "[ . 1 . 2]" 1
840 1 119 LEU HA 1 122 LEU H 3.500 . 3.500 3.430 3.294 3.536 0.036 9 0 "[ . 1 . 2]" 1
841 1 119 LEU H 1 119 LEU HA 2.900 . 2.900 2.858 2.852 2.865 . 0 0 "[ . 1 . 2]" 1
842 1 119 LEU QB 1 120 SER H 5.000 . 6.000 2.641 2.561 2.709 . 0 0 "[ . 1 . 2]" 1
843 1 119 LEU H 1 119 LEU QB 3.500 . 4.100 2.454 2.435 2.469 . 0 0 "[ . 1 . 2]" 1
844 1 119 LEU H 1 119 LEU QD 2.900 . 4.600 3.229 3.197 3.275 . 0 0 "[ . 1 . 2]" 1
845 1 119 LEU QD 1 127 PHE QD 2.700 . 6.200 2.754 2.493 2.998 . 0 0 "[ . 1 . 2]" 1
846 1 119 LEU H 1 119 LEU HG . . 2.900 2.467 2.407 2.552 . 0 0 "[ . 1 . 2]" 1
847 1 119 LEU H 1 120 SER H 2.900 . 2.900 2.630 2.597 2.660 . 0 0 "[ . 1 . 2]" 1
848 1 119 LEU HA 1 122 LEU QD 3.500 . 5.900 2.354 2.065 2.932 . 0 0 "[ . 1 . 2]" 1
849 1 120 SER H 1 120 SER HA 2.900 . 2.900 2.884 2.860 2.909 0.009 18 0 "[ . 1 . 2]" 1
850 1 120 SER HA 1 121 SER H 3.500 . 3.500 3.502 3.421 3.584 0.084 13 0 "[ . 1 . 2]" 1
851 1 120 SER HA 1 122 LEU H 5.000 . 5.000 3.851 3.408 4.603 . 0 0 "[ . 1 . 2]" 1
852 1 120 SER H 1 120 SER QB 3.500 . 4.100 2.520 2.474 2.631 . 0 0 "[ . 1 . 2]" 1
853 1 120 SER QB 1 121 SER H 5.000 . 6.000 3.074 2.553 3.827 . 0 0 "[ . 1 . 2]" 1
854 1 120 SER H 1 121 SER H 2.900 . 2.900 2.519 2.383 2.604 . 0 0 "[ . 1 . 2]" 1
855 1 120 SER H 1 122 LEU H 5.000 . 5.000 4.016 3.930 4.106 . 0 0 "[ . 1 . 2]" 1
856 1 121 SER H 1 121 SER HA 2.900 . 2.900 2.909 2.848 2.956 0.056 8 0 "[ . 1 . 2]" 1
857 1 121 SER HA 1 122 LEU H 3.500 . 3.500 3.455 3.330 3.591 0.091 13 0 "[ . 1 . 2]" 1
858 1 121 SER H 1 121 SER QB 2.900 . 3.500 2.481 2.328 2.508 . 0 0 "[ . 1 . 2]" 1
859 1 121 SER QB 1 122 LEU H 3.500 . 4.500 3.085 2.593 3.450 . 0 0 "[ . 1 . 2]" 1
860 1 121 SER H 1 122 LEU QB 5.000 . 6.000 4.658 4.425 5.218 . 0 0 "[ . 1 . 2]" 1
861 1 121 SER H 1 122 LEU QD 5.000 . 7.400 4.498 4.123 4.862 . 0 0 "[ . 1 . 2]" 1
862 1 121 SER H 1 122 LEU HG 5.000 . 5.000 4.109 3.636 4.600 . 0 0 "[ . 1 . 2]" 1
863 1 121 SER H 1 122 LEU H 2.900 . 2.900 2.477 2.283 2.650 . 0 0 "[ . 1 . 2]" 1
864 1 122 LEU H 1 122 LEU HA 2.900 . 2.900 2.810 2.285 2.968 0.068 8 0 "[ . 1 . 2]" 1
865 1 122 LEU H 1 122 LEU QB 2.900 . 3.500 2.601 2.394 3.414 . 0 0 "[ . 1 . 2]" 1
866 1 122 LEU QB 1 127 PHE H 5.000 . 6.000 3.621 2.791 5.117 . 0 0 "[ . 1 . 2]" 1
867 1 122 LEU H 1 122 LEU QD 2.900 . 4.600 3.208 2.866 3.408 . 0 0 "[ . 1 . 2]" 1
868 1 122 LEU QD 1 127 PHE H 5.000 . 7.400 3.893 3.362 4.344 . 0 0 "[ . 1 . 2]" 1
869 1 122 LEU H 1 122 LEU HG . . 2.900 2.596 2.360 3.035 0.135 2 0 "[ . 1 . 2]" 1
870 1 122 LEU QD 1 127 PHE HA 3.500 . 5.900 3.156 2.427 4.025 . 0 0 "[ . 1 . 2]" 1
871 1 122 LEU QB 1 127 PHE QD 2.700 . 7.100 3.695 2.936 4.570 . 0 0 "[ . 1 . 2]" 1
872 1 122 LEU QD 1 127 PHE QD 2.700 . 7.100 2.740 1.956 3.617 . 0 0 "[ . 1 . 2]" 1
873 1 124 PRO HA 1 127 PHE H 5.000 . 5.000 4.495 3.433 5.303 0.303 2 0 "[ . 1 . 2]" 1
874 1 125 PRO HA 1 126 ARG H 5.000 . 5.000 3.463 3.311 3.609 . 0 0 "[ . 1 . 2]" 1
875 1 125 PRO HA 1 128 ARG H 3.500 . 3.500 3.150 2.761 3.531 0.031 20 0 "[ . 1 . 2]" 1
876 1 125 PRO HA 1 129 ASP H 5.000 . 5.000 4.169 3.918 4.848 . 0 0 "[ . 1 . 2]" 1
877 1 125 PRO QB 1 126 ARG H 5.000 . 6.000 3.217 2.506 3.737 . 0 0 "[ . 1 . 2]" 1
878 1 125 PRO QD 1 126 ARG H 3.500 . 4.500 2.807 2.529 3.216 . 0 0 "[ . 1 . 2]" 1
879 1 125 PRO QG 1 126 ARG H 3.500 . 4.500 3.487 2.280 4.274 . 0 0 "[ . 1 . 2]" 1
880 1 126 ARG H 1 126 ARG HA 2.900 . 2.900 2.856 2.815 2.890 . 0 0 "[ . 1 . 2]" 1
881 1 126 ARG HA 1 127 PHE H 3.500 . 3.500 3.566 3.520 3.587 0.087 13 0 "[ . 1 . 2]" 1
882 1 126 ARG HA 1 128 ARG H 5.000 . 5.000 4.413 4.213 4.567 . 0 0 "[ . 1 . 2]" 1
883 1 126 ARG HA 1 129 ASP H 3.500 . 3.500 3.280 3.048 3.393 . 0 0 "[ . 1 . 2]" 1
884 1 126 ARG H 1 126 ARG QB 2.900 . 3.500 2.427 2.263 2.499 . 0 0 "[ . 1 . 2]" 1
885 1 126 ARG QB 1 127 PHE H 2.900 . 3.900 2.658 2.541 3.675 . 0 0 "[ . 1 . 2]" 1
886 1 126 ARG H 1 126 ARG QD 5.000 . 6.000 3.930 3.540 4.740 . 0 0 "[ . 1 . 2]" 1
887 1 126 ARG H 1 126 ARG QG 2.900 . 3.900 2.579 2.234 3.981 0.081 12 0 "[ . 1 . 2]" 1
888 1 126 ARG QG 1 127 PHE H 3.500 . 4.500 3.953 2.463 4.142 . 0 0 "[ . 1 . 2]" 1
889 1 126 ARG H 1 127 PHE QB 5.000 . 6.000 4.406 4.264 4.527 . 0 0 "[ . 1 . 2]" 1
890 1 126 ARG H 1 127 PHE H 2.900 . 2.900 2.552 2.433 2.655 . 0 0 "[ . 1 . 2]" 1
891 1 126 ARG H 1 128 ARG H 5.000 . 5.000 4.099 3.920 4.398 . 0 0 "[ . 1 . 2]" 1
892 1 127 PHE H 1 127 PHE HA 2.900 . 2.900 2.856 2.839 2.869 . 0 0 "[ . 1 . 2]" 1
893 1 127 PHE HA 1 128 ARG H 3.500 . 3.500 3.599 3.580 3.643 0.143 6 0 "[ . 1 . 2]" 1
894 1 127 PHE HA 1 130 LEU H 3.500 . 3.500 3.190 3.050 3.474 . 0 0 "[ . 1 . 2]" 1
895 1 127 PHE HA 1 131 ALA H 5.000 . 5.000 4.073 3.849 4.554 . 0 0 "[ . 1 . 2]" 1
896 1 127 PHE H 1 127 PHE QB 2.900 . 3.500 2.318 2.290 2.338 . 0 0 "[ . 1 . 2]" 1
897 1 127 PHE QB 1 128 ARG H 3.500 . 4.500 2.590 2.477 2.677 . 0 0 "[ . 1 . 2]" 1
898 1 127 PHE H 1 127 PHE QD 5.000 . 5.000 4.239 4.209 4.259 . 0 0 "[ . 1 . 2]" 1
899 1 127 PHE QD 1 130 LEU QD 5.000 . 6.000 2.781 2.344 3.457 . 0 0 "[ . 1 . 2]" 1
900 1 127 PHE QD 1 128 ARG H 3.500 . 5.000 3.647 3.305 3.967 . 0 0 "[ . 1 . 2]" 1
901 1 127 PHE H 1 128 ARG H 2.900 . 2.900 2.667 2.593 2.817 . 0 0 "[ . 1 . 2]" 1
902 1 127 PHE H 1 129 ASP H 5.000 . 5.000 4.010 3.897 4.125 . 0 0 "[ . 1 . 2]" 1
903 1 128 ARG H 1 128 ARG HA 2.900 . 2.900 2.855 2.843 2.889 . 0 0 "[ . 1 . 2]" 1
904 1 128 ARG HA 1 129 ASP H 5.000 . 5.000 3.579 3.538 3.603 . 0 0 "[ . 1 . 2]" 1
905 1 128 ARG HA 1 131 ALA H 3.500 . 3.500 3.291 3.045 3.429 . 0 0 "[ . 1 . 2]" 1
906 1 128 ARG H 1 128 ARG QB 3.500 . 4.100 2.417 2.301 2.606 . 0 0 "[ . 1 . 2]" 1
907 1 128 ARG QB 1 129 ASP H 3.500 . 4.500 2.662 2.493 3.660 . 0 0 "[ . 1 . 2]" 1
908 1 128 ARG H 1 129 ASP H 2.900 . 2.900 2.623 2.524 2.702 . 0 0 "[ . 1 . 2]" 1
909 1 128 ARG HA 1 131 ALA MB 2.700 . 4.200 2.598 2.384 2.896 . 0 0 "[ . 1 . 2]" 1
910 1 129 ASP H 1 129 ASP HA 2.900 . 2.900 2.857 2.845 2.875 . 0 0 "[ . 1 . 2]" 1
911 1 129 ASP HA 1 132 THR H 3.500 . 3.500 3.255 3.147 3.385 . 0 0 "[ . 1 . 2]" 1
912 1 129 ASP H 1 129 ASP QB 2.900 . 3.500 2.405 2.294 2.433 . 0 0 "[ . 1 . 2]" 1
913 1 129 ASP QB 1 130 LEU H 2.900 . 3.900 2.681 2.576 2.803 . 0 0 "[ . 1 . 2]" 1
914 1 129 ASP H 1 130 LEU H 2.900 . 2.900 2.592 2.494 2.715 . 0 0 "[ . 1 . 2]" 1
915 1 129 ASP H 1 131 ALA H 5.000 . 5.000 4.114 3.936 4.182 . 0 0 "[ . 1 . 2]" 1
916 1 129 ASP HA 1 132 THR MG 5.000 . 6.500 4.070 3.891 4.338 . 0 0 "[ . 1 . 2]" 1
917 1 130 LEU H 1 130 LEU HA 2.900 . 2.900 2.858 2.848 2.895 . 0 0 "[ . 1 . 2]" 1
918 1 130 LEU HA 1 131 ALA H 3.500 . 3.500 3.564 3.527 3.571 0.071 3 0 "[ . 1 . 2]" 1
919 1 130 LEU HA 1 133 ASP H 3.500 . 3.500 3.391 3.018 3.494 . 0 0 "[ . 1 . 2]" 1
920 1 130 LEU H 1 130 LEU QB 2.900 . 3.500 2.319 2.261 2.470 . 0 0 "[ . 1 . 2]" 1
921 1 130 LEU QB 1 131 ALA H 3.500 . 4.500 2.489 2.375 3.562 . 0 0 "[ . 1 . 2]" 1
922 1 130 LEU H 1 130 LEU QD 3.500 . 5.200 3.625 3.176 3.791 . 0 0 "[ . 1 . 2]" 1
923 1 130 LEU QD 1 131 ALA H 5.000 . 7.400 3.582 2.903 4.084 . 0 0 "[ . 1 . 2]" 1
924 1 130 LEU QD 1 133 ASP H 5.000 . 7.400 4.640 4.442 4.834 . 0 0 "[ . 1 . 2]" 1
925 1 130 LEU H 1 130 LEU HG 5.000 . 5.000 3.969 2.391 4.469 . 0 0 "[ . 1 . 2]" 1
926 1 130 LEU HG 1 131 ALA H 5.000 . 5.000 3.902 2.271 4.351 . 0 0 "[ . 1 . 2]" 1
927 1 130 LEU H 1 131 ALA MB 3.500 . 5.000 4.276 4.196 4.313 . 0 0 "[ . 1 . 2]" 1
928 1 130 LEU H 1 131 ALA H 2.900 . 2.900 2.578 2.429 2.620 . 0 0 "[ . 1 . 2]" 1
929 1 131 ALA H 1 131 ALA HA 2.900 . 2.900 2.844 2.839 2.859 . 0 0 "[ . 1 . 2]" 1
930 1 131 ALA HA 1 132 THR H 5.000 . 5.000 3.585 3.577 3.592 . 0 0 "[ . 1 . 2]" 1
931 1 131 ALA HA 1 134 VAL H 3.500 . 3.500 3.439 3.370 3.569 0.069 13 0 "[ . 1 . 2]" 1
932 1 131 ALA HA 1 135 PHE H 5.000 . 5.000 3.957 3.827 4.149 . 0 0 "[ . 1 . 2]" 1
933 1 131 ALA H 1 131 ALA MB 2.900 . 4.000 2.252 2.106 2.292 . 0 0 "[ . 1 . 2]" 1
934 1 131 ALA MB 1 132 THR H 2.900 . 4.400 2.542 2.505 2.675 . 0 0 "[ . 1 . 2]" 1
935 1 131 ALA MB 1 133 ASP H 5.000 . 6.500 4.528 4.478 4.573 . 0 0 "[ . 1 . 2]" 1
936 1 131 ALA H 1 132 THR H 2.900 . 2.900 2.635 2.573 2.662 . 0 0 "[ . 1 . 2]" 1
937 1 131 ALA H 1 133 ASP H 5.000 . 5.000 4.108 3.949 4.168 . 0 0 "[ . 1 . 2]" 1
938 1 131 ALA HA 1 134 VAL QG 5.000 . 7.400 3.163 2.997 3.368 . 0 0 "[ . 1 . 2]" 1
939 1 132 THR HA 1 133 ASP H 5.000 . 5.000 3.596 3.590 3.605 . 0 0 "[ . 1 . 2]" 1
940 1 132 THR HA 1 135 PHE H 3.500 . 3.500 3.390 3.288 3.492 . 0 0 "[ . 1 . 2]" 1
941 1 132 THR HA 1 136 CYS H 5.000 . 5.000 3.856 3.738 3.974 . 0 0 "[ . 1 . 2]" 1
942 1 132 THR H 1 132 THR HB 2.900 . 2.900 2.568 2.552 2.583 . 0 0 "[ . 1 . 2]" 1
943 1 132 THR HB 1 133 ASP H 2.900 . 2.900 2.562 2.532 2.607 . 0 0 "[ . 1 . 2]" 1
944 1 132 THR H 1 132 THR MG 3.500 . 5.000 3.794 3.790 3.799 . 0 0 "[ . 1 . 2]" 1
945 1 132 THR MG 1 133 ASP H 2.900 . 4.400 3.483 3.456 3.536 . 0 0 "[ . 1 . 2]" 1
946 1 132 THR MG 1 136 CYS H 3.500 . 5.000 3.606 3.473 3.683 . 0 0 "[ . 1 . 2]" 1
947 1 132 THR H 1 133 ASP H 2.900 . 2.900 2.624 2.576 2.654 . 0 0 "[ . 1 . 2]" 1
948 1 133 ASP H 1 133 ASP HA 2.900 . 2.900 2.849 2.842 2.853 . 0 0 "[ . 1 . 2]" 1
949 1 133 ASP HA 1 134 VAL H 5.000 . 5.000 3.606 3.599 3.614 . 0 0 "[ . 1 . 2]" 1
950 1 133 ASP HA 1 136 CYS H 3.500 . 3.500 3.468 3.338 3.567 0.067 20 0 "[ . 1 . 2]" 1
951 1 133 ASP H 1 133 ASP QB 2.900 . 3.500 2.404 2.285 2.435 . 0 0 "[ . 1 . 2]" 1
952 1 133 ASP QB 1 134 VAL H 3.500 . 4.500 2.600 2.504 2.654 . 0 0 "[ . 1 . 2]" 1
953 1 133 ASP H 1 134 VAL QG 5.000 . 7.400 4.182 4.150 4.213 . 0 0 "[ . 1 . 2]" 1
954 1 133 ASP H 1 134 VAL H 2.900 . 2.900 2.691 2.672 2.706 . 0 0 "[ . 1 . 2]" 1
955 1 134 VAL HA 1 135 PHE H 5.000 . 5.000 3.586 3.574 3.595 . 0 0 "[ . 1 . 2]" 1
956 1 134 VAL HA 1 137 GLU H 3.500 . 3.500 3.393 3.325 3.454 . 0 0 "[ . 1 . 2]" 1
957 1 134 VAL HA 1 138 LEU H 5.000 . 5.000 3.948 3.838 4.169 . 0 0 "[ . 1 . 2]" 1
958 1 134 VAL H 1 134 VAL HB 2.900 . 2.900 2.483 2.473 2.491 . 0 0 "[ . 1 . 2]" 1
959 1 134 VAL HB 1 135 PHE H 2.900 . 2.900 2.595 2.554 2.641 . 0 0 "[ . 1 . 2]" 1
960 1 134 VAL H 1 134 VAL QG 2.900 . 4.600 2.201 2.180 2.225 . 0 0 "[ . 1 . 2]" 1
961 1 134 VAL QG 1 135 PHE H 3.500 . 5.900 3.148 3.129 3.177 . 0 0 "[ . 1 . 2]" 1
962 1 134 VAL H 1 135 PHE H 2.900 . 2.900 2.599 2.559 2.632 . 0 0 "[ . 1 . 2]" 1
963 1 134 VAL QG 1 138 LEU QD 2.700 . 7.500 2.339 2.188 2.519 . 0 0 "[ . 1 . 2]" 1
964 1 135 PHE H 1 135 PHE HA 2.900 . 2.900 2.837 2.831 2.841 . 0 0 "[ . 1 . 2]" 1
965 1 135 PHE HA 1 136 CYS H 5.000 . 5.000 3.618 3.602 3.645 . 0 0 "[ . 1 . 2]" 1
966 1 135 PHE HA 1 138 LEU H 3.500 . 3.500 3.513 3.362 3.562 0.062 10 0 "[ . 1 . 2]" 1
967 1 135 PHE H 1 135 PHE QB 2.900 . 3.500 2.281 2.267 2.291 . 0 0 "[ . 1 . 2]" 1
968 1 135 PHE QB 1 136 CYS H 3.500 . 4.500 2.449 2.405 2.503 . 0 0 "[ . 1 . 2]" 1
969 1 135 PHE H 1 135 PHE QD 5.000 . 5.000 4.212 4.203 4.218 . 0 0 "[ . 1 . 2]" 1
970 1 135 PHE QD 1 136 CYS H 5.000 . 5.000 3.354 3.282 3.405 . 0 0 "[ . 1 . 2]" 1
971 1 135 PHE H 1 136 CYS H 2.900 . 2.900 2.760 2.721 2.825 . 0 0 "[ . 1 . 2]" 1
972 1 135 PHE HA 1 138 LEU QD 3.500 . 5.900 2.825 2.645 2.985 . 0 0 "[ . 1 . 2]" 1
973 1 136 CYS H 1 136 CYS HA 2.900 . 2.900 2.859 2.843 2.886 . 0 0 "[ . 1 . 2]" 1
974 1 136 CYS HA 1 137 GLU H 3.500 . 3.500 3.579 3.532 3.604 0.104 9 0 "[ . 1 . 2]" 1
975 1 136 CYS HA 1 138 LEU H 5.000 . 5.000 4.404 4.280 4.491 . 0 0 "[ . 1 . 2]" 1
976 1 136 CYS HA 1 139 GLU H 3.500 . 3.500 3.285 3.098 3.416 . 0 0 "[ . 1 . 2]" 1
977 1 136 CYS HA 1 140 ARG H 5.000 . 5.000 4.038 3.821 4.193 . 0 0 "[ . 1 . 2]" 1
978 1 136 CYS H 1 136 CYS QB 2.900 . 3.500 2.434 2.310 2.612 . 0 0 "[ . 1 . 2]" 1
979 1 136 CYS QB 1 137 GLU H 3.500 . 4.500 2.862 2.528 3.674 . 0 0 "[ . 1 . 2]" 1
980 1 136 CYS H 1 137 GLU H 2.900 . 2.900 2.636 2.533 2.700 . 0 0 "[ . 1 . 2]" 1
981 1 137 GLU H 1 137 GLU HA 2.900 . 2.900 2.855 2.843 2.877 . 0 0 "[ . 1 . 2]" 1
982 1 137 GLU HA 1 138 LEU H 5.000 . 5.000 3.606 3.589 3.621 . 0 0 "[ . 1 . 2]" 1
983 1 137 GLU HA 1 140 ARG H 3.500 . 3.500 3.422 3.361 3.511 0.011 3 0 "[ . 1 . 2]" 1
984 1 137 GLU HA 1 141 ARG H 5.000 . 5.000 3.816 3.663 3.967 . 0 0 "[ . 1 . 2]" 1
985 1 137 GLU H 1 137 GLU QB 3.500 . 4.100 2.336 2.304 2.448 . 0 0 "[ . 1 . 2]" 1
986 1 137 GLU QB 1 138 LEU H 5.000 . 6.000 2.568 2.500 2.681 . 0 0 "[ . 1 . 2]" 1
987 1 137 GLU QG 1 141 ARG HE 5.000 . 6.000 4.080 2.668 5.521 . 0 0 "[ . 1 . 2]" 1
988 1 137 GLU H 1 138 LEU H 2.900 . 2.900 2.669 2.556 2.737 . 0 0 "[ . 1 . 2]" 1
989 1 138 LEU HA 1 139 GLU H 5.000 . 5.000 3.588 3.582 3.597 . 0 0 "[ . 1 . 2]" 1
990 1 138 LEU HA 1 141 ARG H 5.000 . 5.000 3.410 3.337 3.487 . 0 0 "[ . 1 . 2]" 1
991 1 138 LEU HA 1 142 TYR H 5.000 . 5.000 3.523 3.465 3.584 . 0 0 "[ . 1 . 2]" 1
992 1 138 LEU H 1 138 LEU QB 3.500 . 4.100 2.442 2.429 2.452 . 0 0 "[ . 1 . 2]" 1
993 1 138 LEU QB 1 139 GLU H 3.500 . 4.500 2.687 2.673 2.708 . 0 0 "[ . 1 . 2]" 1
994 1 138 LEU H 1 138 LEU QD 3.500 . 5.200 3.244 3.226 3.263 . 0 0 "[ . 1 . 2]" 1
995 1 138 LEU H 1 138 LEU HG 3.500 . 3.500 2.505 2.477 2.537 . 0 0 "[ . 1 . 2]" 1
996 1 138 LEU H 1 139 GLU H 2.900 . 2.900 2.655 2.610 2.688 . 0 0 "[ . 1 . 2]" 1
997 1 138 LEU QD 1 145 PHE QE 3.500 . 5.900 2.119 2.033 2.196 . 0 0 "[ . 1 . 2]" 1
998 1 138 LEU HA 1 142 TYR QD 3.500 . 6.500 2.628 2.501 2.748 . 0 0 "[ . 1 . 2]" 1
999 1 138 LEU QD 1 142 TYR QD 3.500 . 5.900 2.556 2.367 2.648 . 0 0 "[ . 1 . 2]" 1
1000 1 138 LEU QD 1 142 TYR QE 3.500 . 5.900 2.195 2.114 2.276 . 0 0 "[ . 1 . 2]" 1
1001 1 138 LEU QB 1 145 PHE QD 3.500 . 5.900 2.069 1.989 2.150 . 0 0 "[ . 1 . 2]" 1
1002 1 138 LEU QD 1 145 PHE QD 3.500 . 5.900 3.124 3.013 3.198 . 0 0 "[ . 1 . 2]" 1
1003 1 139 GLU H 1 139 GLU HA 2.900 . 2.900 2.847 2.840 2.855 . 0 0 "[ . 1 . 2]" 1
1004 1 139 GLU HA 1 142 TYR H 3.500 . 3.500 3.637 3.596 3.671 0.171 3 0 "[ . 1 . 2]" 1
1005 1 139 GLU QB 1 140 ARG H 2.900 . 3.900 2.554 2.514 2.585 . 0 0 "[ . 1 . 2]" 1
1006 1 139 GLU H 1 139 GLU QG 2.900 . 3.900 3.996 3.992 4.000 0.100 3 0 "[ . 1 . 2]" 1
1007 1 139 GLU QG 1 140 ARG H 5.000 . 6.000 3.702 3.639 3.763 . 0 0 "[ . 1 . 2]" 1
1008 1 139 GLU QG 1 146 ALA H 3.500 . 4.500 3.792 3.581 3.910 . 0 0 "[ . 1 . 2]" 1
1009 1 139 GLU H 1 140 ARG H 2.900 . 2.900 2.679 2.650 2.717 . 0 0 "[ . 1 . 2]" 1
1010 1 139 GLU QG 1 146 ALA MB 2.700 . 5.200 2.583 2.328 2.803 . 0 0 "[ . 1 . 2]" 1
1011 1 140 ARG H 1 140 ARG HA 2.900 . 2.900 2.883 2.873 2.891 . 0 0 "[ . 1 . 2]" 1
1012 1 140 ARG HA 1 141 ARG H 5.000 . 5.000 3.600 3.562 3.617 . 0 0 "[ . 1 . 2]" 1
1013 1 140 ARG H 1 140 ARG QB 2.900 . 3.500 2.381 2.234 2.459 . 0 0 "[ . 1 . 2]" 1
1014 1 140 ARG QB 1 141 ARG H 3.500 . 4.500 2.592 2.513 2.693 . 0 0 "[ . 1 . 2]" 1
1015 1 140 ARG H 1 140 ARG QD 5.000 . 6.000 4.046 2.564 4.771 . 0 0 "[ . 1 . 2]" 1
1016 1 140 ARG QG 1 141 ARG H 5.000 . 6.000 4.007 3.583 4.578 . 0 0 "[ . 1 . 2]" 1
1017 1 140 ARG H 1 141 ARG H 2.900 . 2.900 2.592 2.503 2.659 . 0 0 "[ . 1 . 2]" 1
1018 1 141 ARG H 1 141 ARG HA 2.900 . 2.900 2.869 2.840 2.884 . 0 0 "[ . 1 . 2]" 1
1019 1 141 ARG HA 1 142 TYR H 3.500 . 3.500 3.580 3.571 3.593 0.093 18 0 "[ . 1 . 2]" 1
1020 1 141 ARG H 1 141 ARG QB 3.500 . 4.100 2.369 2.256 2.455 . 0 0 "[ . 1 . 2]" 1
1021 1 141 ARG QB 1 142 TYR H 5.000 . 6.000 2.591 2.433 2.665 . 0 0 "[ . 1 . 2]" 1
1022 1 141 ARG H 1 141 ARG QD 5.000 . 6.000 4.131 3.755 4.827 . 0 0 "[ . 1 . 2]" 1
1023 1 141 ARG H 1 141 ARG QG 3.500 . 4.500 3.180 2.406 4.102 . 0 0 "[ . 1 . 2]" 1
1024 1 141 ARG QG 1 142 TYR H 5.000 . 6.000 4.005 3.651 4.218 . 0 0 "[ . 1 . 2]" 1
1025 1 141 ARG H 1 142 TYR H 2.900 . 2.900 2.606 2.543 2.681 . 0 0 "[ . 1 . 2]" 1
1026 1 142 TYR H 1 142 TYR HA 2.900 . 2.900 2.988 2.986 2.991 0.091 6 0 "[ . 1 . 2]" 1
1027 1 142 TYR H 1 142 TYR QB 3.500 . 4.100 2.632 2.611 2.664 . 0 0 "[ . 1 . 2]" 1
1028 1 142 TYR H 1 142 TYR QD 2.900 . 3.900 2.828 2.715 2.964 . 0 0 "[ . 1 . 2]" 1
1029 1 142 TYR H 1 142 TYR QE 5.000 . 5.000 4.708 4.645 4.776 . 0 0 "[ . 1 . 2]" 1
1030 1 142 TYR H 1 143 PRO QD 3.500 . 4.500 3.615 3.542 3.680 . 0 0 "[ . 1 . 2]" 1
1031 1 142 TYR H 1 143 PRO QG 5.000 . 6.000 5.467 4.927 5.553 . 0 0 "[ . 1 . 2]" 1
1032 1 143 PRO HA 1 144 ASN H 3.500 . 3.500 3.477 3.460 3.513 0.013 6 0 "[ . 1 . 2]" 1
1033 1 143 PRO HA 1 145 PHE H 5.000 . 5.000 3.554 3.436 3.903 . 0 0 "[ . 1 . 2]" 1
1034 1 143 PRO HA 1 146 ALA H 3.500 . 3.500 3.460 3.058 3.593 0.093 20 0 "[ . 1 . 2]" 1
1035 1 143 PRO QB 1 144 ASN H 3.500 . 4.500 3.453 2.858 3.542 . 0 0 "[ . 1 . 2]" 1
1036 1 143 PRO QD 1 144 ASN H 3.500 . 4.500 2.718 2.432 2.797 . 0 0 "[ . 1 . 2]" 1
1037 1 143 PRO QG 1 144 ASN H 2.900 . 3.900 2.854 2.714 3.761 . 0 0 "[ . 1 . 2]" 1
1038 1 143 PRO HA 1 146 ALA MB 3.500 . 5.000 3.332 2.488 3.607 . 0 0 "[ . 1 . 2]" 1
1039 1 144 ASN H 1 144 ASN HA 2.900 . 2.900 2.897 2.850 2.914 0.014 1 0 "[ . 1 . 2]" 1
1040 1 144 ASN HA 1 145 PHE H 3.500 . 3.500 3.440 3.394 3.557 0.057 18 0 "[ . 1 . 2]" 1
1041 1 144 ASN HA 1 146 ALA H . . 3.500 3.575 3.424 4.044 0.544 18 1 "[ . 1 . + 2]" 1
1042 1 144 ASN HA 1 147 ASN H 3.500 . 3.500 3.357 3.137 3.565 0.065 3 0 "[ . 1 . 2]" 1
1043 1 144 ASN H 1 144 ASN QB 2.900 . 3.500 2.622 2.283 2.733 . 0 0 "[ . 1 . 2]" 1
1044 1 144 ASN QB 1 145 PHE H 3.500 . 4.500 3.623 2.682 3.863 . 0 0 "[ . 1 . 2]" 1
1045 1 144 ASN QD 1 145 PHE QD 5.000 . 5.000 2.738 2.351 3.429 . 0 0 "[ . 1 . 2]" 1
1046 1 144 ASN H 1 145 PHE H 2.900 . 2.900 2.483 2.446 2.610 . 0 0 "[ . 1 . 2]" 1
1047 1 144 ASN H 1 146 ALA H 5.000 . 5.000 4.048 3.858 4.163 . 0 0 "[ . 1 . 2]" 1
1048 1 145 PHE HA 1 146 ALA H 3.500 . 3.500 3.466 3.443 3.519 0.019 18 0 "[ . 1 . 2]" 1
1049 1 145 PHE HA 1 147 ASN H 5.000 . 5.000 3.496 3.344 4.075 . 0 0 "[ . 1 . 2]" 1
1050 1 145 PHE HA 1 148 LEU H 3.500 . 3.500 3.543 3.145 3.836 0.336 1 0 "[ . 1 . 2]" 1
1051 1 145 PHE H 1 145 PHE QB 2.900 . 3.500 2.363 2.323 2.409 . 0 0 "[ . 1 . 2]" 1
1052 1 145 PHE QB 1 146 ALA H 5.000 . 6.000 3.044 2.828 3.126 . 0 0 "[ . 1 . 2]" 1
1053 1 145 PHE H 1 145 PHE QD 2.900 . 4.500 2.990 2.806 3.115 . 0 0 "[ . 1 . 2]" 1
1054 1 145 PHE QD 1 146 ALA H 5.000 . 5.000 4.543 4.487 4.583 . 0 0 "[ . 1 . 2]" 1
1055 1 145 PHE H 1 146 ALA MB 3.500 . 5.000 4.135 4.104 4.177 . 0 0 "[ . 1 . 2]" 1
1056 1 145 PHE H 1 146 ALA H 2.900 . 2.900 2.378 2.333 2.475 . 0 0 "[ . 1 . 2]" 1
1057 1 145 PHE H 1 148 LEU QD 3.500 . 5.900 4.261 4.083 4.336 . 0 0 "[ . 1 . 2]" 1
1058 1 145 PHE H 1 148 LEU HG 5.000 . 5.000 4.661 4.512 4.779 . 0 0 "[ . 1 . 2]" 1
1059 1 145 PHE HA 1 148 LEU QD 3.500 . 5.900 2.159 2.012 2.244 . 0 0 "[ . 1 . 2]" 1
1060 1 145 PHE QD 1 148 LEU QD 3.500 . 5.900 2.480 2.373 2.658 . 0 0 "[ . 1 . 2]" 1
1061 1 146 ALA H 1 146 ALA HA 2.900 . 2.900 2.889 2.844 2.913 0.013 1 0 "[ . 1 . 2]" 1
1062 1 146 ALA HA 1 147 ASN H 3.500 . 3.500 3.450 3.381 3.570 0.070 18 0 "[ . 1 . 2]" 1
1063 1 146 ALA HA 1 148 LEU H 5.000 . 5.000 3.529 3.402 3.877 . 0 0 "[ . 1 . 2]" 1
1064 1 146 ALA H 1 146 ALA MB 2.900 . 4.000 2.280 2.160 2.311 . 0 0 "[ . 1 . 2]" 1
1065 1 146 ALA MB 1 147 ASN H 2.900 . 4.400 3.071 2.672 3.253 . 0 0 "[ . 1 . 2]" 1
1066 1 146 ALA H 1 147 ASN H 2.900 . 2.900 2.482 2.431 2.620 . 0 0 "[ . 1 . 2]" 1
1067 1 147 ASN H 1 147 ASN HA 2.900 . 2.900 2.969 2.902 2.985 0.085 12 0 "[ . 1 . 2]" 1
1068 1 147 ASN HA 1 148 LEU H 3.500 . 3.500 3.162 2.895 3.459 . 0 0 "[ . 1 . 2]" 1
1069 1 147 ASN H 1 147 ASN QB 2.900 . 3.500 2.480 2.392 2.625 . 0 0 "[ . 1 . 2]" 1
1070 1 147 ASN QB 1 148 LEU H 5.000 . 6.000 3.654 3.237 3.929 . 0 0 "[ . 1 . 2]" 1
1071 1 147 ASN H 1 148 LEU HA 5.000 . 5.000 4.661 4.356 5.026 0.026 18 0 "[ . 1 . 2]" 1
1072 1 147 ASN H 1 148 LEU HG 5.000 . 5.000 3.608 3.264 4.187 . 0 0 "[ . 1 . 2]" 1
1073 1 147 ASN H 1 148 LEU H 2.900 . 2.900 2.496 2.364 2.659 . 0 0 "[ . 1 . 2]" 1
1074 1 148 LEU H 1 148 LEU HA 2.900 . 2.900 2.936 2.867 2.964 0.064 19 0 "[ . 1 . 2]" 1
1075 1 148 LEU H 1 148 LEU QB 2.900 . 3.500 2.454 2.352 3.268 . 0 0 "[ . 1 . 2]" 1
1076 1 148 LEU QB 1 149 GLU H 3.500 . 4.500 3.218 1.572 4.018 0.228 12 0 "[ . 1 . 2]" 1
1077 1 148 LEU H 1 148 LEU QD 2.900 . 4.600 3.334 3.048 3.515 . 0 0 "[ . 1 . 2]" 1
1078 1 148 LEU QD 1 149 GLU H 2.900 . 5.300 3.672 3.224 4.276 . 0 0 "[ . 1 . 2]" 1
1079 1 148 LEU H 1 148 LEU HG . . 2.900 2.688 2.019 3.088 0.188 7 0 "[ . 1 . 2]" 1
1080 1 148 LEU H 1 149 GLU H 3.500 . 3.500 3.716 2.515 4.011 0.511 6 1 "[ .+ 1 . 2]" 1
1081 1 149 GLU H 1 149 GLU HA 2.900 . 2.900 2.835 2.285 2.935 0.035 14 0 "[ . 1 . 2]" 1
1082 1 149 GLU HA 1 150 MET H . . 2.900 2.474 2.218 3.585 0.685 19 1 "[ . 1 . +2]" 1
1083 1 149 GLU H 1 149 GLU QB 2.900 . 3.500 2.707 2.299 3.433 . 0 0 "[ . 1 . 2]" 1
1084 1 149 GLU QB 1 150 MET H 3.500 . 4.500 2.557 1.713 2.957 0.087 17 0 "[ . 1 . 2]" 1
1085 1 149 GLU H 1 149 GLU QG 2.900 . 3.900 2.570 2.185 2.902 . 0 0 "[ . 1 . 2]" 1
1086 1 149 GLU QG 1 150 MET H 3.500 . 4.500 3.848 3.401 4.260 . 0 0 "[ . 1 . 2]" 1
1087 1 150 MET H 1 150 MET QB 2.900 . 3.500 2.670 2.440 3.105 . 0 0 "[ . 1 . 2]" 1
1088 1 150 MET H 1 150 MET QG 2.900 . 3.900 2.655 2.158 4.010 0.110 12 0 "[ . 1 . 2]" 1
1089 1 150 MET H 1 151 PRO QD 5.000 . 6.000 4.302 3.669 4.377 . 0 0 "[ . 1 . 2]" 1
1090 1 151 PRO HA 1 152 LEU H 2.900 . 2.900 2.427 2.214 3.380 0.480 9 0 "[ . 1 . 2]" 1
1091 1 151 PRO QB 1 152 LEU H 2.900 . 3.900 2.638 2.449 3.591 . 0 0 "[ . 1 . 2]" 1
1092 1 151 PRO QG 1 152 LEU H 3.500 . 4.500 4.109 2.913 4.434 . 0 0 "[ . 1 . 2]" 1
1093 1 152 LEU H 1 152 LEU HA 2.900 . 2.900 2.898 2.286 2.988 0.088 15 0 "[ . 1 . 2]" 1
1094 1 152 LEU HA 1 153 ASN H 2.900 . 2.900 2.328 2.198 2.816 . 0 0 "[ . 1 . 2]" 1
1095 1 152 LEU H 1 152 LEU QB 2.900 . 3.500 2.874 2.506 3.418 . 0 0 "[ . 1 . 2]" 1
1096 1 152 LEU QB 1 153 ASN H 3.500 . 4.500 2.887 2.391 3.918 . 0 0 "[ . 1 . 2]" 1
1097 1 152 LEU H 1 152 LEU QD 3.500 . 5.200 3.179 2.520 3.425 . 0 0 "[ . 1 . 2]" 1
1098 1 152 LEU H 1 152 LEU HG 2.900 . 2.900 2.617 2.047 2.975 0.075 8 0 "[ . 1 . 2]" 1
1099 1 153 ASN HA 1 154 ALA H 3.500 . 3.500 2.231 2.157 2.608 . 0 0 "[ . 1 . 2]" 1
1100 1 153 ASN H 1 153 ASN QB 2.900 . 3.500 2.660 2.376 2.861 . 0 0 "[ . 1 . 2]" 1
1101 1 154 ALA HA 1 155 SER H 2.900 . 2.900 2.355 2.321 2.848 . 0 0 "[ . 1 . 2]" 1
1102 1 154 ALA MB 1 155 SER H 3.500 . 5.000 2.652 2.551 3.723 . 0 0 "[ . 1 . 2]" 1
1103 1 155 SER H 1 155 SER QB 3.500 . 4.100 2.946 2.837 3.422 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 27
_Distance_constraint_stats_list.Viol_count 76
_Distance_constraint_stats_list.Viol_total 1022.158
_Distance_constraint_stats_list.Viol_max 1.984
_Distance_constraint_stats_list.Viol_rms 0.3189
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0946
_Distance_constraint_stats_list.Viol_average_violations_only 0.6725
_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 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.221 0.101 1 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 5.967 0.753 11 8 "[* * . - *1+** .* 2]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 THR 1.834 0.270 10 0 "[ . 1 . 2]"
1 67 GLN 1.834 0.270 10 0 "[ . 1 . 2]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 0.221 0.101 1 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 3.442 0.535 7 1 "[ . + 1 . 2]"
1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ASP 23.416 1.815 4 20 [***+-***************]
1 108 PHE 23.416 1.815 4 20 [***+-***************]
1 115 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 LEU 0.037 0.037 4 0 "[ . 1 . 2]"
1 124 PRO 16.191 1.984 2 11 "[ + .** ** **-** *2]"
1 126 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 PHE 3.442 0.535 7 1 "[ . + 1 . 2]"
1 128 ARG 16.191 1.984 2 11 "[ + .** ** **-** *2]"
1 130 LEU 0.037 0.037 4 0 "[ . 1 . 2]"
1 134 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 26 GLU H 1 69 LEU QD 3.500 . 6.500 4.919 4.742 5.514 . 0 0 "[ . 1 . 2]" 2
2 1 122 LEU QD 1 126 ARG H 5.000 . 7.400 4.939 4.348 5.968 . 0 0 "[ . 1 . 2]" 2
3 1 30 SER H 1 145 PHE HE1 5.000 . 5.000 4.664 4.282 4.920 . 0 0 "[ . 1 . 2]" 2
4 1 33 TYR H 1 145 PHE QE 3.500 . 5.900 4.549 4.356 4.754 . 0 0 "[ . 1 . 2]" 2
5 1 34 ILE H 1 34 ILE HG12 2.900 . 2.900 2.840 2.256 3.653 0.753 11 8 "[* * . - *1+** .* 2]" 2
6 1 34 ILE MG 1 38 ARG H 5.000 . 6.500 3.734 3.582 3.917 . 0 0 "[ . 1 . 2]" 2
7 1 60 LEU H 1 61 GLN QB 5.000 . 6.000 4.612 4.441 4.757 . 0 0 "[ . 1 . 2]" 2
8 1 61 GLN H 1 62 ARG QG 5.000 . 6.000 3.693 3.359 4.256 . 0 0 "[ . 1 . 2]" 2
9 1 64 THR H 1 67 GLN HA 5.000 . 5.000 5.078 4.885 5.270 0.270 10 0 "[ . 1 . 2]" 2
10 1 78 GLU HA 1 82 ARG H 5.000 . 5.000 4.252 3.931 4.673 . 0 0 "[ . 1 . 2]" 2
11 1 79 LEU H 1 127 PHE HE1 5.000 . 5.000 5.167 4.959 5.535 0.535 7 1 "[ . + 1 . 2]" 2
12 1 81 ARG H 1 102 LEU QD 5.000 . 7.400 4.393 3.876 5.004 . 0 0 "[ . 1 . 2]" 2
13 1 82 ARG HA 1 84 GLN H 5.000 . 5.000 4.277 3.858 4.378 . 0 0 "[ . 1 . 2]" 2
14 1 99 PRO QG 1 101 PHE H 5.000 . 6.000 3.772 2.159 4.677 . 0 0 "[ . 1 . 2]" 2
15 1 106 ASP H 1 108 PHE QB 3.500 2.400 4.500 5.671 5.193 6.315 1.815 4 20 [***+-***************] 2
16 1 115 ALA MB 1 118 LYS QB 3.500 . 6.500 3.944 3.801 5.063 . 0 0 "[ . 1 . 2]" 2
17 1 118 LYS H 1 119 LEU QD 5.000 . 7.400 4.902 4.785 4.996 . 0 0 "[ . 1 . 2]" 2
18 1 124 PRO HA 1 128 ARG H 5.000 . 5.000 5.277 3.663 6.984 1.984 2 11 "[ + .** ** **-** *2]" 2
19 1 134 VAL QG 1 138 LEU H 5.000 . 7.400 3.641 3.573 3.743 . 0 0 "[ . 1 . 2]" 2
20 1 29 LEU QD 1 69 LEU QD 2.700 . 7.100 1.930 1.699 2.462 0.101 1 0 "[ . 1 . 2]" 2
21 1 29 LEU HA 1 29 LEU QD 2.700 . 4.400 1.920 1.873 2.059 . 0 0 "[ . 1 . 2]" 2
22 1 60 LEU QD 1 68 PHE QD 3.500 . 7.900 3.300 2.670 4.118 . 0 0 "[ . 1 . 2]" 2
23 1 69 LEU HA 1 69 LEU QD 2.700 . 4.400 1.935 1.914 1.962 . 0 0 "[ . 1 . 2]" 2
24 1 71 LEU QD 1 119 LEU QD 5.000 . 6.700 3.328 2.404 4.349 . 0 0 "[ . 1 . 2]" 2
25 1 96 THR HA 1 96 THR MG 2.700 . 4.200 2.303 2.134 2.327 . 0 0 "[ . 1 . 2]" 2
26 1 103 LEU HA 1 103 LEU QD 2.700 . 4.400 2.040 1.936 2.825 . 0 0 "[ . 1 . 2]" 2
27 1 122 LEU QD 1 130 LEU QD 2.700 . 7.500 2.878 1.763 4.870 0.037 4 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 110
_Distance_constraint_stats_list.Viol_count 340
_Distance_constraint_stats_list.Viol_total 1354.582
_Distance_constraint_stats_list.Viol_max 1.568
_Distance_constraint_stats_list.Viol_rms 0.1525
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0308
_Distance_constraint_stats_list.Viol_average_violations_only 0.1992
_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 25 GLN 0.071 0.071 11 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 1.838 0.252 18 0 "[ . 1 . 2]"
1 28 VAL 1.338 0.157 19 0 "[ . 1 . 2]"
1 29 LEU 0.907 0.071 11 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASP 1.838 0.252 18 0 "[ . 1 . 2]"
1 32 HIS 1.458 0.157 19 0 "[ . 1 . 2]"
1 33 TYR 0.836 0.060 19 0 "[ . 1 . 2]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.862 0.091 18 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.068 0.020 16 0 "[ . 1 . 2]"
1 39 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.742 0.091 18 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.068 0.020 16 0 "[ . 1 . 2]"
1 67 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PHE 0.151 0.032 5 0 "[ . 1 . 2]"
1 69 LEU 0.078 0.031 17 0 "[ . 1 . 2]"
1 70 GLU 0.009 0.008 9 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 0.151 0.032 5 0 "[ . 1 . 2]"
1 73 THR 1.898 0.108 13 0 "[ . 1 . 2]"
1 74 ASP 0.010 0.008 9 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TYR 0.074 0.074 5 0 "[ . 1 . 2]"
1 77 ASP 3.264 0.391 4 0 "[ . 1 . 2]"
1 78 GLU 1.066 0.226 2 0 "[ . 1 . 2]"
1 79 LEU 0.065 0.057 13 0 "[ . 1 . 2]"
1 80 LYS 0.459 0.375 11 0 "[ . 1 . 2]"
1 81 ARG 2.649 0.613 11 1 "[ . 1+ . 2]"
1 82 ARG 1.231 0.226 2 0 "[ . 1 . 2]"
1 83 GLU 0.065 0.057 13 0 "[ . 1 . 2]"
1 84 GLN 3.348 0.872 5 3 "[ +* 1 . -]"
1 85 VAL 1.205 0.613 11 1 "[ . 1+ . 2]"
1 86 ALA 0.165 0.164 11 0 "[ . 1 . 2]"
1 87 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 2.964 0.872 5 3 "[ +* 1 . -]"
1 110 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LYS 0.000 0.000 9 0 "[ . 1 . 2]"
1 112 ARG 0.185 0.065 3 0 "[ . 1 . 2]"
1 113 ASN 0.314 0.151 3 0 "[ . 1 . 2]"
1 114 GLN 0.115 0.115 3 0 "[ . 1 . 2]"
1 115 ALA 4.503 0.633 18 4 "[ **. 1 . + -]"
1 116 ARG 7.385 0.986 18 4 "[ *-. 1 . + *]"
1 117 GLN 2.393 0.528 4 1 "[ +. 1 . 2]"
1 118 LYS 0.115 0.115 3 0 "[ . 1 . 2]"
1 119 LEU 4.503 0.633 18 4 "[ **. 1 . + -]"
1 120 SER 7.200 0.986 18 4 "[ *-. 1 . + *]"
1 121 SER 2.079 0.528 4 1 "[ +. 1 . 2]"
1 125 PRO 0.304 0.126 2 0 "[ . 1 . 2]"
1 126 ARG 0.010 0.010 16 0 "[ . 1 . 2]"
1 127 PHE 0.357 0.088 10 0 "[ . 1 . 2]"
1 128 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 ASP 0.480 0.126 2 0 "[ . 1 . 2]"
1 130 LEU 0.010 0.010 16 0 "[ . 1 . 2]"
1 131 ALA 0.357 0.088 10 0 "[ . 1 . 2]"
1 132 THR 0.402 0.049 5 0 "[ . 1 . 2]"
1 133 ASP 0.198 0.067 13 0 "[ . 1 . 2]"
1 134 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 CYS 0.402 0.049 5 0 "[ . 1 . 2]"
1 137 GLU 0.567 0.079 16 0 "[ . 1 . 2]"
1 138 LEU 0.994 0.074 14 0 "[ . 1 . 2]"
1 139 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 ARG 0.545 0.079 16 0 "[ . 1 . 2]"
1 142 TYR 0.994 0.074 14 0 "[ . 1 . 2]"
1 144 ASN 36.083 1.568 1 20 [+*-*****************]
1 148 LEU 36.083 1.568 1 20 [+*-*****************]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 GLN O 1 29 LEU H 2.200 . 2.200 1.892 1.729 2.083 0.071 11 0 "[ . 1 . 2]" 3
2 1 25 GLN O 1 29 LEU N 3.300 2.200 3.300 2.868 2.717 3.055 . 0 0 "[ . 1 . 2]" 3
3 1 26 GLU O 1 30 SER H 2.200 . 2.200 2.014 1.955 2.075 . 0 0 "[ . 1 . 2]" 3
4 1 26 GLU O 1 30 SER N 3.300 2.200 3.300 2.781 2.748 2.826 . 0 0 "[ . 1 . 2]" 3
5 1 27 LEU O 1 31 ASP H 2.200 . 2.200 2.274 2.008 2.452 0.252 18 0 "[ . 1 . 2]" 3
6 1 27 LEU O 1 31 ASP N 3.300 2.200 3.300 3.192 2.957 3.371 0.071 18 0 "[ . 1 . 2]" 3
7 1 28 VAL O 1 32 HIS H 2.200 . 2.200 2.266 2.182 2.357 0.157 19 0 "[ . 1 . 2]" 3
8 1 28 VAL O 1 32 HIS N 3.300 2.200 3.300 3.201 3.119 3.289 . 0 0 "[ . 1 . 2]" 3
9 1 29 LEU O 1 33 TYR H 2.200 . 2.200 1.758 1.740 1.788 0.060 19 0 "[ . 1 . 2]" 3
10 1 29 LEU O 1 33 TYR N 3.300 2.200 3.300 2.690 2.676 2.724 . 0 0 "[ . 1 . 2]" 3
11 1 30 SER O 1 34 ILE H 2.200 . 2.200 1.932 1.819 2.002 . 0 0 "[ . 1 . 2]" 3
12 1 30 SER O 1 34 ILE N 3.300 2.200 3.300 2.916 2.805 2.980 . 0 0 "[ . 1 . 2]" 3
13 1 31 ASP O 1 35 SER H 2.200 . 2.200 1.897 1.841 1.968 . 0 0 "[ . 1 . 2]" 3
14 1 31 ASP O 1 35 SER N 3.300 2.200 3.300 2.856 2.796 2.916 . 0 0 "[ . 1 . 2]" 3
15 1 32 HIS O 1 36 LEU H 2.200 . 2.200 1.803 1.779 1.845 0.021 8 0 "[ . 1 . 2]" 3
16 1 32 HIS O 1 36 LEU N 3.300 2.200 3.300 2.749 2.724 2.765 . 0 0 "[ . 1 . 2]" 3
17 1 33 TYR O 1 37 LYS H 2.200 . 2.200 1.909 1.822 1.994 . 0 0 "[ . 1 . 2]" 3
18 1 33 TYR O 1 37 LYS N 3.300 2.200 3.300 2.838 2.761 2.942 . 0 0 "[ . 1 . 2]" 3
19 1 34 ILE O 1 38 ARG H 2.200 . 2.200 1.959 1.818 2.196 . 0 0 "[ . 1 . 2]" 3
20 1 34 ILE O 1 38 ARG N 3.300 2.200 3.300 2.927 2.788 3.145 . 0 0 "[ . 1 . 2]" 3
21 1 35 SER O 1 39 TYR H 2.200 . 2.200 1.880 1.805 2.070 . 0 0 "[ . 1 . 2]" 3
22 1 35 SER O 1 39 TYR N 3.300 2.200 3.300 2.827 2.754 3.027 . 0 0 "[ . 1 . 2]" 3
23 1 36 LEU O 1 40 LEU H 2.200 . 2.200 1.763 1.709 1.808 0.091 18 0 "[ . 1 . 2]" 3
24 1 36 LEU O 1 40 LEU N 3.300 2.200 3.300 2.754 2.706 2.799 . 0 0 "[ . 1 . 2]" 3
25 1 37 LYS O 1 41 SER H 2.200 . 2.200 1.849 1.808 1.930 . 0 0 "[ . 1 . 2]" 3
26 1 37 LYS O 1 41 SER N 3.300 2.200 3.300 2.790 2.754 2.858 . 0 0 "[ . 1 . 2]" 3
27 1 38 ARG O 1 42 ALA H 2.200 . 2.200 1.876 1.780 2.211 0.020 16 0 "[ . 1 . 2]" 3
28 1 38 ARG O 1 42 ALA N 3.300 2.200 3.300 2.781 2.723 2.917 . 0 0 "[ . 1 . 2]" 3
29 1 67 GLN O 1 71 LEU H 2.200 . 2.200 1.870 1.822 1.988 . 0 0 "[ . 1 . 2]" 3
30 1 67 GLN O 1 71 LEU N 3.300 2.200 3.300 2.806 2.757 2.934 . 0 0 "[ . 1 . 2]" 3
31 1 68 PHE O 1 72 SER H 2.200 . 2.200 1.803 1.768 1.847 0.032 5 0 "[ . 1 . 2]" 3
32 1 68 PHE O 1 72 SER N 3.300 2.200 3.300 2.764 2.738 2.815 . 0 0 "[ . 1 . 2]" 3
33 1 69 LEU O 1 73 THR H 2.200 . 2.200 1.816 1.769 1.861 0.031 17 0 "[ . 1 . 2]" 3
34 1 69 LEU O 1 73 THR N 3.300 2.200 3.300 2.757 2.732 2.788 . 0 0 "[ . 1 . 2]" 3
35 1 70 GLU O 1 74 ASP H 2.200 . 2.200 1.839 1.792 1.938 0.008 9 0 "[ . 1 . 2]" 3
36 1 70 GLU O 1 74 ASP N 3.300 2.200 3.300 2.779 2.737 2.864 . 0 0 "[ . 1 . 2]" 3
37 1 71 LEU O 1 75 VAL H 2.200 . 2.200 1.925 1.815 2.034 . 0 0 "[ . 1 . 2]" 3
38 1 71 LEU O 1 75 VAL N 3.300 2.200 3.300 2.894 2.786 3.004 . 0 0 "[ . 1 . 2]" 3
39 1 72 SER O 1 76 TYR H 2.200 . 2.200 1.846 1.813 1.908 . 0 0 "[ . 1 . 2]" 3
40 1 72 SER O 1 76 TYR N 3.300 2.200 3.300 2.803 2.768 2.881 . 0 0 "[ . 1 . 2]" 3
41 1 73 THR O 1 77 ASP H 2.200 . 2.200 1.709 1.692 1.735 0.108 13 0 "[ . 1 . 2]" 3
42 1 73 THR O 1 77 ASP N 3.300 2.200 3.300 2.695 2.673 2.715 . 0 0 "[ . 1 . 2]" 3
43 1 74 ASP O 1 78 GLU H 2.200 . 2.200 2.002 1.878 2.201 0.001 2 0 "[ . 1 . 2]" 3
44 1 74 ASP O 1 78 GLU N 3.300 2.200 3.300 2.939 2.799 3.143 . 0 0 "[ . 1 . 2]" 3
45 1 75 VAL O 1 79 LEU H 2.200 . 2.200 1.892 1.838 1.992 . 0 0 "[ . 1 . 2]" 3
46 1 75 VAL O 1 79 LEU N 3.300 2.200 3.300 2.840 2.785 2.948 . 0 0 "[ . 1 . 2]" 3
47 1 76 TYR O 1 80 LYS H 2.200 . 2.200 2.005 1.806 2.274 0.074 5 0 "[ . 1 . 2]" 3
48 1 76 TYR O 1 80 LYS N 3.300 2.200 3.300 2.948 2.773 3.196 . 0 0 "[ . 1 . 2]" 3
49 1 77 ASP O 1 81 ARG H 2.200 . 2.200 2.164 1.865 2.591 0.391 4 0 "[ . 1 . 2]" 3
50 1 77 ASP O 1 81 ARG N 3.300 2.200 3.300 3.076 2.798 3.489 0.189 4 0 "[ . 1 . 2]" 3
51 1 78 GLU O 1 82 ARG H 2.200 . 2.200 2.094 1.852 2.426 0.226 2 0 "[ . 1 . 2]" 3
52 1 78 GLU O 1 82 ARG N 3.300 2.200 3.300 3.052 2.816 3.394 0.094 13 0 "[ . 1 . 2]" 3
53 1 79 LEU O 1 83 GLU H 2.200 . 2.200 2.019 1.868 2.257 0.057 13 0 "[ . 1 . 2]" 3
54 1 79 LEU O 1 83 GLU N 3.300 2.200 3.300 2.949 2.808 3.201 . 0 0 "[ . 1 . 2]" 3
55 1 80 LYS O 1 84 GLN H 2.200 . 2.200 2.025 1.833 2.575 0.375 11 0 "[ . 1 . 2]" 3
56 1 80 LYS O 1 84 GLN N 3.300 2.200 3.300 2.941 2.782 3.310 0.010 11 0 "[ . 1 . 2]" 3
57 1 81 ARG O 1 85 VAL H 2.200 . 2.200 2.134 1.921 2.813 0.613 11 1 "[ . 1+ . 2]" 3
58 1 81 ARG O 1 85 VAL N 3.300 2.200 3.300 3.068 2.864 3.687 0.387 11 0 "[ . 1 . 2]" 3
59 1 82 ARG O 1 86 ALA H 2.200 . 2.200 1.974 1.819 2.364 0.164 11 0 "[ . 1 . 2]" 3
60 1 82 ARG O 1 86 ALA N 3.300 2.200 3.300 2.925 2.786 3.301 0.001 11 0 "[ . 1 . 2]" 3
61 1 83 GLU O 1 87 ARG H 2.200 . 2.200 1.947 1.883 2.032 . 0 0 "[ . 1 . 2]" 3
62 1 83 GLU O 1 87 ARG N 3.300 2.200 3.300 2.871 2.822 2.955 . 0 0 "[ . 1 . 2]" 3
63 1 84 GLN O 1 88 ARG H 2.200 . 2.200 2.253 1.969 3.072 0.872 5 3 "[ +* 1 . -]" 3
64 1 84 GLN O 1 88 ARG N 3.300 2.200 3.300 3.031 2.871 3.277 . 0 0 "[ . 1 . 2]" 3
65 1 110 PRO O 1 114 GLN H 2.200 . 2.200 1.985 1.906 2.081 . 0 0 "[ . 1 . 2]" 3
66 1 110 PRO O 1 114 GLN N 3.300 2.200 3.300 2.902 2.835 2.996 . 0 0 "[ . 1 . 2]" 3
67 1 111 LYS O 1 115 ALA H 2.200 . 2.200 1.998 1.850 2.200 0.000 9 0 "[ . 1 . 2]" 3
68 1 111 LYS O 1 115 ALA N 3.300 2.200 3.300 2.920 2.784 3.109 . 0 0 "[ . 1 . 2]" 3
69 1 112 ARG O 1 116 ARG H 2.200 . 2.200 1.960 1.753 2.265 0.065 3 0 "[ . 1 . 2]" 3
70 1 112 ARG O 1 116 ARG N 3.300 2.200 3.300 2.885 2.717 3.139 . 0 0 "[ . 1 . 2]" 3
71 1 113 ASN O 1 117 GLN H 2.200 . 2.200 2.097 1.922 2.351 0.151 3 0 "[ . 1 . 2]" 3
72 1 113 ASN O 1 117 GLN N 3.300 2.200 3.300 3.023 2.830 3.266 . 0 0 "[ . 1 . 2]" 3
73 1 114 GLN O 1 118 LYS H 2.200 . 2.200 1.957 1.840 2.315 0.115 3 0 "[ . 1 . 2]" 3
74 1 114 GLN O 1 118 LYS N 3.300 2.200 3.300 2.844 2.777 3.038 . 0 0 "[ . 1 . 2]" 3
75 1 115 ALA O 1 119 LEU H 2.200 . 2.200 2.279 1.920 2.833 0.633 18 4 "[ **. 1 . + -]" 3
76 1 115 ALA O 1 119 LEU N 3.300 2.200 3.300 3.165 2.852 3.642 0.342 3 0 "[ . 1 . 2]" 3
77 1 116 ARG O 1 120 SER H 2.200 . 2.200 2.369 1.932 3.186 0.986 18 4 "[ -*. 1 . + *]" 3
78 1 116 ARG O 1 120 SER N 3.300 2.200 3.300 3.287 2.848 4.070 0.770 18 2 "[ -. 1 . + 2]" 3
79 1 117 GLN O 1 121 SER H 2.200 . 2.200 2.199 1.870 2.728 0.528 4 1 "[ +. 1 . 2]" 3
80 1 117 GLN O 1 121 SER N 3.300 2.200 3.300 2.961 2.812 3.416 0.116 4 0 "[ . 1 . 2]" 3
81 1 125 PRO O 1 129 ASP H 2.200 . 2.200 1.966 1.722 2.326 0.126 2 0 "[ . 1 . 2]" 3
82 1 125 PRO O 1 129 ASP N 3.300 2.200 3.300 2.906 2.675 3.282 . 0 0 "[ . 1 . 2]" 3
83 1 126 ARG O 1 130 LEU H 2.200 . 2.200 1.939 1.790 2.132 0.010 16 0 "[ . 1 . 2]" 3
84 1 126 ARG O 1 130 LEU N 3.300 2.200 3.300 2.817 2.690 3.001 . 0 0 "[ . 1 . 2]" 3
85 1 127 PHE O 1 131 ALA H 2.200 . 2.200 1.913 1.745 2.288 0.088 10 0 "[ . 1 . 2]" 3
86 1 127 PHE O 1 131 ALA N 3.300 2.200 3.300 2.871 2.722 3.206 . 0 0 "[ . 1 . 2]" 3
87 1 128 ARG O 1 132 THR H 2.200 . 2.200 1.898 1.831 2.124 . 0 0 "[ . 1 . 2]" 3
88 1 128 ARG O 1 132 THR N 3.300 2.200 3.300 2.830 2.765 3.062 . 0 0 "[ . 1 . 2]" 3
89 1 129 ASP O 1 133 ASP H 2.200 . 2.200 1.824 1.733 1.966 0.067 13 0 "[ . 1 . 2]" 3
90 1 129 ASP O 1 133 ASP N 3.300 2.200 3.300 2.777 2.709 2.904 . 0 0 "[ . 1 . 2]" 3
91 1 130 LEU O 1 134 VAL H 2.200 . 2.200 1.908 1.811 2.115 . 0 0 "[ . 1 . 2]" 3
92 1 130 LEU O 1 134 VAL N 3.300 2.200 3.300 2.868 2.781 3.070 . 0 0 "[ . 1 . 2]" 3
93 1 131 ALA O 1 135 PHE H 2.200 . 2.200 1.879 1.812 2.002 . 0 0 "[ . 1 . 2]" 3
94 1 131 ALA O 1 135 PHE N 3.300 2.200 3.300 2.838 2.768 2.956 . 0 0 "[ . 1 . 2]" 3
95 1 132 THR O 1 136 CYS H 2.200 . 2.200 1.789 1.751 1.854 0.049 5 0 "[ . 1 . 2]" 3
96 1 132 THR O 1 136 CYS N 3.300 2.200 3.300 2.778 2.740 2.836 . 0 0 "[ . 1 . 2]" 3
97 1 133 ASP O 1 137 GLU H 2.200 . 2.200 1.882 1.781 2.090 0.019 16 0 "[ . 1 . 2]" 3
98 1 133 ASP O 1 137 GLU N 3.300 2.200 3.300 2.807 2.750 2.960 . 0 0 "[ . 1 . 2]" 3
99 1 134 VAL O 1 138 LEU H 2.200 . 2.200 1.857 1.804 2.018 . 0 0 "[ . 1 . 2]" 3
100 1 134 VAL O 1 138 LEU N 3.300 2.200 3.300 2.817 2.766 2.975 . 0 0 "[ . 1 . 2]" 3
101 1 135 PHE O 1 139 GLU H 2.200 . 2.200 2.026 1.930 2.136 . 0 0 "[ . 1 . 2]" 3
102 1 135 PHE O 1 139 GLU N 3.300 2.200 3.300 2.964 2.883 3.072 . 0 0 "[ . 1 . 2]" 3
103 1 136 CYS O 1 140 ARG H 2.200 . 2.200 1.946 1.829 2.015 . 0 0 "[ . 1 . 2]" 3
104 1 136 CYS O 1 140 ARG N 3.300 2.200 3.300 2.913 2.805 2.991 . 0 0 "[ . 1 . 2]" 3
105 1 137 GLU O 1 141 ARG H 2.200 . 2.200 1.783 1.721 1.863 0.079 16 0 "[ . 1 . 2]" 3
106 1 137 GLU O 1 141 ARG N 3.300 2.200 3.300 2.758 2.681 2.845 . 0 0 "[ . 1 . 2]" 3
107 1 138 LEU O 1 142 TYR H 2.200 . 2.200 1.750 1.726 1.774 0.074 14 0 "[ . 1 . 2]" 3
108 1 138 LEU O 1 142 TYR N 3.300 2.200 3.300 2.696 2.678 2.711 . 0 0 "[ . 1 . 2]" 3
109 1 144 ASN O 1 148 LEU H 2.200 . 2.200 3.555 2.771 3.768 1.568 1 20 [+****************-**] 3
110 1 144 ASN O 1 148 LEU N 3.300 2.200 3.300 3.749 3.379 3.957 0.657 19 10 "[ *- . *** **.* +*]" 3
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 1:24:29 AM GMT (wattos1)