NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603033 |
2n4x   |
25685 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n4x
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 539
_Distance_constraint_stats_list.Viol_count 2672
_Distance_constraint_stats_list.Viol_total 7212.677
_Distance_constraint_stats_list.Viol_max 1.310
_Distance_constraint_stats_list.Viol_rms 0.1396
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0595
_Distance_constraint_stats_list.Viol_average_violations_only 0.1800
_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 11 GLN 0.246 0.106 14 0 "[ . 1 .]"
1 14 ALA 3.582 0.447 12 0 "[ . 1 .]"
1 15 PHE 3.556 0.600 8 4 "[ - + 1** .]"
1 16 ALA 1.472 0.218 3 0 "[ . 1 .]"
1 17 LEU 3.528 0.447 12 0 "[ . 1 .]"
1 18 GLY 9.198 0.730 1 4 "[+ .- * *.]"
1 19 ILE 3.650 0.218 3 0 "[ . 1 .]"
1 20 LEU 2.753 0.401 12 0 "[ . 1 .]"
1 21 SER 11.402 0.585 14 3 "[ . -* +.]"
1 22 VAL 5.485 0.330 14 0 "[ . 1 .]"
1 23 PHE 10.379 0.585 14 3 "[ . -* +.]"
1 24 SER 6.671 0.432 5 0 "[ . 1 .]"
1 26 ALA 5.446 0.469 13 0 "[ . 1 .]"
1 27 VAL 5.628 0.522 13 1 "[ . 1 + .]"
1 30 VAL 6.518 0.486 13 0 "[ . 1 .]"
1 31 VAL 2.914 0.522 13 1 "[ . 1 + .]"
1 34 ILE 16.999 0.696 13 4 "[ .- *1 *+ .]"
1 35 PHE 5.167 0.612 15 1 "[ . 1 +]"
1 36 ALA 7.264 0.555 9 2 "[ .- +1 .]"
1 37 GLY 1.804 0.189 2 0 "[ . 1 .]"
1 44 ASP 0.390 0.037 13 0 "[ . 1 .]"
1 45 ALA 0.973 0.077 3 0 "[ . 1 .]"
1 46 PHE 4.066 0.401 12 0 "[ . 1 .]"
1 47 LEU 2.497 0.212 2 0 "[ . 1 .]"
1 48 ILE 5.299 0.436 13 0 "[ . 1 .]"
1 49 VAL 14.449 0.998 5 3 "[ + 1 - *]"
1 50 ALA 9.327 0.351 5 0 "[ . 1 .]"
1 51 GLY 8.074 0.866 15 6 "[*-* * 1 * +]"
1 52 LEU 12.256 0.630 15 3 "[ . 1- *+]"
1 53 THR 1.017 0.378 11 0 "[ . 1 .]"
1 55 SER 0.000 0.000 . 0 "[ . 1 .]"
1 56 MET 11.860 1.094 7 15 [******+***-****]
1 57 LEU 0.809 0.070 9 0 "[ . 1 .]"
1 58 ILE 3.254 0.408 14 0 "[ . 1 .]"
1 59 LEU 9.174 0.511 12 1 "[ . 1 + .]"
1 60 GLY 1.992 0.520 15 1 "[ . 1 +]"
1 61 TYR 1.412 0.520 15 1 "[ . 1 +]"
1 63 ALA 5.943 0.567 4 2 "[ +. 1 -]"
1 66 PHE 13.606 0.581 1 3 "[+ *. 1 -]"
1 67 PHE 6.118 0.459 7 0 "[ . 1 .]"
1 68 GLY 1.836 0.259 5 0 "[ . 1 .]"
1 69 PHE 2.638 0.275 13 0 "[ . 1 .]"
1 70 PHE 15.591 1.094 7 15 [******+***-****]
1 71 ARG 2.954 0.408 14 0 "[ . 1 .]"
1 72 VAL 7.036 0.573 15 2 "[ . 1- +]"
1 73 VAL 15.668 0.872 11 6 "[ * -* **1+ .]"
1 74 ALA 0.096 0.070 13 0 "[ . 1 .]"
1 75 MET 4.877 0.573 15 2 "[ . 1- +]"
1 76 LEU 1.308 0.769 11 1 "[ . 1+ .]"
1 77 PHE 0.788 0.436 13 0 "[ . 1 .]"
1 78 LEU 1.008 0.276 12 0 "[ . 1 .]"
1 79 LEU 0.356 0.255 11 0 "[ . 1 .]"
1 80 ILE 0.027 0.015 4 0 "[ . 1 .]"
1 81 PHE 2.118 0.257 1 0 "[ . 1 .]"
1 82 ALA 1.937 0.185 11 0 "[ . 1 .]"
1 83 LEU 1.233 0.079 10 0 "[ . 1 .]"
1 84 ILE 1.226 0.151 2 0 "[ . 1 .]"
1 85 LEU 2.216 0.181 12 0 "[ . 1 .]"
1 86 LEU 3.225 0.217 11 0 "[ . 1 .]"
1 87 SER 0.044 0.032 11 0 "[ . 1 .]"
1 88 ASP 0.549 0.265 8 0 "[ . 1 .]"
1 89 GLU 1.042 0.493 5 0 "[ . 1 .]"
1 90 LEU 1.482 0.493 5 0 "[ . 1 .]"
1 91 ASP 4.503 0.420 13 0 "[ . 1 .]"
1 92 GLU 6.732 0.518 12 1 "[ . 1 + .]"
1 93 LYS 9.401 0.763 3 6 "[* + . *-** .]"
1 94 VAL 7.707 0.420 13 0 "[ . 1 .]"
1 95 SER 2.650 0.518 12 1 "[ . 1 + .]"
1 96 ILE 3.379 0.482 10 0 "[ . 1 .]"
1 97 PHE 2.277 0.529 15 1 "[ . 1 +]"
1 98 ALA 3.479 0.265 6 0 "[ . 1 .]"
1 99 SER 3.334 0.482 10 0 "[ . 1 .]"
1 100 ARG 17.124 0.824 7 9 "[*-**. +**1* *.]"
1 101 MET 2.828 0.265 6 0 "[ . 1 .]"
1 102 THR 1.101 0.095 4 0 "[ . 1 .]"
1 103 SER 0.087 0.086 2 0 "[ . 1 .]"
1 104 GLY 3.757 0.484 14 0 "[ . 1 .]"
1 105 LEU 2.529 0.335 1 0 "[ . 1 .]"
1 106 SER 0.101 0.053 14 0 "[ . 1 .]"
1 107 TRP 1.773 0.474 4 0 "[ . 1 .]"
1 112 LEU 1.773 0.474 4 0 "[ . 1 .]"
1 115 PHE 12.792 0.717 5 2 "[ + 1- .]"
1 116 PHE 3.070 0.429 3 0 "[ . 1 .]"
1 117 PHE 4.635 0.683 12 1 "[ . 1 + .]"
1 118 GLY 2.359 0.683 12 1 "[ . 1 + .]"
1 119 MET 0.443 0.140 6 0 "[ . 1 .]"
1 120 LEU 9.959 0.872 11 5 "[ - .* **1+ .]"
1 121 LEU 5.835 0.807 11 4 "[ .* 1+*- .]"
1 122 ALA 4.338 0.355 10 0 "[ . 1 .]"
1 123 PHE 8.294 0.769 11 1 "[ . 1+ .]"
1 124 LEU 7.358 0.793 9 5 "[ * .* +* -.]"
1 125 TRP 19.461 0.824 7 6 "[*- . +**1 *.]"
1 126 LEU 0.720 0.148 12 0 "[ . 1 .]"
1 127 PRO 9.077 0.866 15 6 "[*-* * 1 * +]"
1 128 ALA 35.460 1.286 15 15 [***********-**+]
1 129 ILE 35.323 1.286 15 15 [**********-***+]
1 131 PRO 20.541 1.095 13 15 [*****-******+**]
1 132 PHE 9.019 0.498 15 0 "[ . 1 .]"
1 133 ALA 13.748 0.534 7 1 "[ . + 1 .]"
1 134 GLY 14.445 1.095 13 15 [********-***+**]
1 135 ILE 5.569 0.440 3 0 "[ . 1 .]"
1 136 ALA 4.144 0.252 7 0 "[ . 1 .]"
1 137 ILE 1.986 0.136 10 0 "[ . 1 .]"
1 138 SER 0.972 0.144 3 0 "[ . 1 .]"
1 139 GLN 1.514 0.440 3 0 "[ . 1 .]"
1 140 THR 0.000 0.000 . 0 "[ . 1 .]"
1 141 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 145 ASN 0.064 0.064 11 0 "[ . 1 .]"
1 146 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 147 LEU 1.359 0.223 8 0 "[ . 1 .]"
1 148 VAL 11.767 0.420 1 0 "[ . 1 .]"
1 149 MET 3.315 0.350 14 0 "[ . 1 .]"
1 150 LEU 1.867 0.223 8 0 "[ . 1 .]"
1 151 SER 4.295 0.420 1 0 "[ . 1 .]"
1 152 TYR 5.342 0.345 1 0 "[ . 1 .]"
1 153 GLY 0.550 0.138 1 0 "[ . 1 .]"
1 154 LEU 1.638 0.138 1 0 "[ . 1 .]"
1 155 GLY 8.187 0.364 15 0 "[ . 1 .]"
1 156 MET 3.539 0.352 6 0 "[ . 1 .]"
1 157 ALA 2.652 0.116 2 0 "[ . 1 .]"
1 158 VAL 5.661 0.352 6 0 "[ . 1 .]"
1 159 THR 4.981 0.397 7 0 "[ . 1 .]"
1 160 ILE 18.421 0.867 8 12 "[* *-* *+***** *]"
1 161 ALA 4.684 0.247 8 0 "[ . 1 .]"
1 162 ALA 6.336 0.397 7 0 "[ . 1 .]"
1 163 VAL 8.919 0.362 3 0 "[ . 1 .]"
1 164 PHE 6.990 0.375 15 0 "[ . 1 .]"
1 165 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 166 MET 2.857 0.321 3 0 "[ . 1 .]"
1 167 GLY 3.986 0.285 13 0 "[ . 1 .]"
1 168 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 170 PHE 5.611 0.362 3 0 "[ . 1 .]"
1 171 VAL 4.396 0.696 13 2 "[ . 1 -+ .]"
1 172 LYS 0.840 0.174 3 0 "[ . 1 .]"
1 173 ALA 11.051 0.611 2 3 "[ + . 1 * -]"
1 174 ASN 18.540 1.310 10 14 "[***** -**+*****]"
1 175 PHE 24.968 1.310 10 14 "[***** ***+****-]"
1 176 GLN 0.461 0.085 3 0 "[ . 1 .]"
1 177 LEU 6.852 0.435 1 0 "[ . 1 .]"
1 178 ILE 5.560 0.474 9 0 "[ . 1 .]"
1 179 ARG 8.967 0.435 1 0 "[ . 1 .]"
1 180 LYS 18.883 0.867 8 12 "[* *-* *+***** *]"
1 181 VAL 12.414 0.763 3 6 "[* + . *-** .]"
1 182 THR 9.897 0.651 4 1 "[ +. 1 .]"
1 183 GLY 12.103 0.609 15 3 "[ *. - +]"
1 184 ALA 16.911 0.780 6 10 "[*** *+ * *-* *.]"
1 185 ILE 5.568 0.651 4 3 "[ +. 1* -]"
1 186 VAL 15.197 0.620 4 5 "[ *+. *- *]"
1 187 LEU 3.377 0.255 15 0 "[ . 1 .]"
1 188 LEU 8.605 0.595 11 2 "[ . 1+ -]"
1 189 TYR 2.257 0.270 15 0 "[ . 1 .]"
1 190 LEU 8.601 0.484 14 0 "[ . 1 .]"
1 191 ALA 4.576 0.329 2 0 "[ . 1 .]"
1 192 TYR 13.663 0.536 14 3 "[ . 1*- +.]"
1 193 PHE 1.937 0.133 2 0 "[ . 1 .]"
1 198 VAL 1.732 0.303 5 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 GLN QG 1 14 ALA H 3.500 3.000 4.000 3.738 3.037 4.106 0.106 14 0 "[ . 1 .]" 1
2 1 14 ALA H 1 15 PHE H 2.500 . 3.000 2.714 2.658 2.767 . 0 0 "[ . 1 .]" 1
3 1 14 ALA HA 1 17 LEU H 3.200 2.700 3.700 3.363 3.086 3.505 . 0 0 "[ . 1 .]" 1
4 1 14 ALA MB 1 17 LEU MD2 3.500 3.000 4.000 4.147 3.902 4.447 0.447 12 0 "[ . 1 .]" 1
5 1 14 ALA MB 1 18 GLY H 4.500 4.000 5.000 4.928 4.742 5.126 0.126 14 0 "[ . 1 .]" 1
6 1 14 ALA MB 1 50 ALA MB 4.000 . 4.500 4.299 3.191 4.682 0.182 11 0 "[ . 1 .]" 1
7 1 14 ALA MB 1 131 PRO QB 4.500 2.500 5.000 2.945 2.426 3.480 0.074 5 0 "[ . 1 .]" 1
8 1 15 PHE H 1 15 PHE HA 2.500 . 3.000 2.802 2.771 2.826 . 0 0 "[ . 1 .]" 1
9 1 15 PHE H 1 15 PHE HB2 2.400 . 2.900 2.929 2.317 3.480 0.580 11 3 "[ - 1+* .]" 1
10 1 15 PHE H 1 15 PHE HB3 2.400 . 2.900 2.428 2.012 3.500 0.600 8 1 "[ . + 1 .]" 1
11 1 15 PHE H 1 16 ALA H 2.500 . 3.000 2.657 2.578 2.714 . 0 0 "[ . 1 .]" 1
12 1 15 PHE HA 1 18 GLY H 3.200 2.700 3.700 3.634 3.531 3.771 0.071 14 0 "[ . 1 .]" 1
13 1 16 ALA H 1 17 LEU H 2.500 . 3.000 2.718 2.628 2.807 . 0 0 "[ . 1 .]" 1
14 1 16 ALA H 1 18 GLY H 4.000 3.500 4.500 4.395 4.309 4.480 . 0 0 "[ . 1 .]" 1
15 1 16 ALA HA 1 19 ILE H 3.000 2.500 3.500 3.588 3.392 3.718 0.218 3 0 "[ . 1 .]" 1
16 1 17 LEU H 1 17 LEU HA 2.500 . 3.000 2.804 2.781 2.815 . 0 0 "[ . 1 .]" 1
17 1 17 LEU H 1 18 GLY H 2.500 2.100 3.000 2.787 2.747 2.848 . 0 0 "[ . 1 .]" 1
18 1 17 LEU HA 1 18 GLY H 3.000 2.500 3.500 3.571 3.553 3.597 0.097 1 0 "[ . 1 .]" 1
19 1 17 LEU MD1 1 134 GLY QA 3.500 . 4.000 3.089 1.874 4.070 0.070 1 0 "[ . 1 .]" 1
20 1 18 GLY H 1 18 GLY HA2 2.500 . 3.000 2.798 2.772 2.827 . 0 0 "[ . 1 .]" 1
21 1 18 GLY H 1 19 ILE H 2.400 . 2.900 2.835 2.725 2.903 0.003 8 0 "[ . 1 .]" 1
22 1 18 GLY H 1 131 PRO QD 4.500 2.500 5.000 5.421 5.192 5.730 0.730 1 4 "[+ .- * *.]" 1
23 1 18 GLY HA2 1 19 ILE H 3.000 2.500 3.500 3.570 3.528 3.594 0.094 2 0 "[ . 1 .]" 1
24 1 18 GLY HA2 1 21 SER H 3.200 2.700 3.700 3.563 3.183 3.919 0.219 8 0 "[ . 1 .]" 1
25 1 19 ILE H 1 19 ILE HA 2.500 . 3.000 2.810 2.788 2.830 . 0 0 "[ . 1 .]" 1
26 1 19 ILE H 1 20 LEU H 2.500 . 3.000 2.739 2.648 2.908 . 0 0 "[ . 1 .]" 1
27 1 19 ILE H 1 46 PHE QE 4.500 2.500 5.000 3.530 2.405 4.959 0.095 9 0 "[ . 1 .]" 1
28 1 19 ILE HA 1 20 LEU H 3.000 2.500 3.500 3.520 3.497 3.550 0.050 8 0 "[ . 1 .]" 1
29 1 19 ILE HA 1 22 VAL H 3.000 2.500 3.500 3.450 3.245 3.707 0.207 9 0 "[ . 1 .]" 1
30 1 20 LEU H 1 20 LEU HA 2.500 . 3.000 2.808 2.790 2.835 . 0 0 "[ . 1 .]" 1
31 1 20 LEU H 1 21 SER H 2.500 . 3.000 2.718 2.560 2.812 . 0 0 "[ . 1 .]" 1
32 1 20 LEU H 1 46 PHE QE 4.500 2.500 5.000 5.152 4.885 5.401 0.401 12 0 "[ . 1 .]" 1
33 1 20 LEU HA 1 23 PHE H 3.500 3.000 4.000 3.332 3.181 3.643 . 0 0 "[ . 1 .]" 1
34 1 21 SER H 1 22 VAL H 2.500 . 3.000 2.612 2.529 2.787 . 0 0 "[ . 1 .]" 1
35 1 21 SER H 1 23 PHE H 3.000 2.500 3.500 3.963 3.887 4.085 0.585 14 3 "[ . -* +.]" 1
36 1 21 SER HA 1 22 VAL H 2.700 2.200 3.200 3.483 3.461 3.530 0.330 14 0 "[ . 1 .]" 1
37 1 22 VAL H 1 22 VAL HA 2.500 . 3.000 2.815 2.793 2.836 . 0 0 "[ . 1 .]" 1
38 1 22 VAL H 1 23 PHE H 2.500 . 3.000 2.595 2.532 2.645 . 0 0 "[ . 1 .]" 1
39 1 22 VAL HA 1 23 PHE H 3.500 3.000 4.000 3.511 3.480 3.528 . 0 0 "[ . 1 .]" 1
40 1 22 VAL MG1 1 37 GLY H 4.000 . 4.500 3.865 2.353 4.615 0.115 6 0 "[ . 1 .]" 1
41 1 22 VAL MG2 1 37 GLY H 4.500 2.500 5.000 4.324 3.379 5.112 0.112 14 0 "[ . 1 .]" 1
42 1 22 VAL MG2 1 46 PHE QD 3.500 . 4.000 3.224 2.274 4.076 0.076 4 0 "[ . 1 .]" 1
43 1 23 PHE H 1 23 PHE HA 2.500 . 3.000 2.683 2.547 2.775 . 0 0 "[ . 1 .]" 1
44 1 23 PHE H 1 24 SER H 2.500 . 3.000 3.223 2.911 3.432 0.432 5 0 "[ . 1 .]" 1
45 1 23 PHE HA 1 24 SER H 3.700 3.200 4.200 3.564 3.547 3.583 . 0 0 "[ . 1 .]" 1
46 1 24 SER H 1 166 MET QB 4.500 2.500 5.000 4.530 3.827 5.033 0.033 12 0 "[ . 1 .]" 1
47 1 24 SER H 1 167 GLY QA 4.000 . 4.500 4.712 4.585 4.785 0.285 13 0 "[ . 1 .]" 1
48 1 26 ALA HA 1 27 VAL H 2.800 2.300 3.300 3.006 2.248 3.468 0.168 4 0 "[ . 1 .]" 1
49 1 26 ALA MB 1 30 VAL H 4.000 3.000 5.000 4.824 4.417 5.211 0.211 4 0 "[ . 1 .]" 1
50 1 26 ALA MB 1 34 ILE MD 4.000 . 4.500 2.466 1.867 3.624 0.133 11 0 "[ . 1 .]" 1
51 1 26 ALA MB 1 37 GLY H 4.500 2.500 5.000 4.643 3.740 5.119 0.119 12 0 "[ . 1 .]" 1
52 1 26 ALA MB 1 173 ALA MB 4.000 . 4.500 4.761 4.581 4.969 0.469 13 0 "[ . 1 .]" 1
53 1 27 VAL H 1 27 VAL HA 2.800 2.300 3.300 2.767 2.308 2.966 . 0 0 "[ . 1 .]" 1
54 1 27 VAL HB 1 30 VAL H 3.000 . 4.000 3.684 2.208 4.430 0.430 6 0 "[ . 1 .]" 1
55 1 27 VAL HB 1 34 ILE MD 3.500 . 4.000 3.637 2.896 4.152 0.152 14 0 "[ . 1 .]" 1
56 1 27 VAL MG1 1 31 VAL H 3.700 3.200 4.200 4.259 3.306 4.722 0.522 13 1 "[ . 1 + .]" 1
57 1 30 VAL H 1 34 ILE MD 4.000 3.000 5.000 5.217 5.102 5.486 0.486 13 0 "[ . 1 .]" 1
58 1 30 VAL QG 1 34 ILE MD 3.000 . 4.000 2.977 2.119 3.972 . 0 0 "[ . 1 .]" 1
59 1 30 VAL QG 1 34 ILE MG 4.000 3.000 5.000 4.725 3.728 5.147 0.147 8 0 "[ . 1 .]" 1
60 1 34 ILE H 1 36 ALA MB 3.000 . 4.000 4.302 4.097 4.555 0.555 9 2 "[ .- +1 .]" 1
61 1 34 ILE HA 1 36 ALA MB 4.000 3.000 5.000 4.516 4.205 4.798 . 0 0 "[ . 1 .]" 1
62 1 34 ILE MD 1 171 VAL H 3.500 . 4.000 4.102 3.702 4.696 0.696 13 2 "[ . 1 -+ .]" 1
63 1 34 ILE MD 1 171 VAL MG1 3.500 . 4.000 3.741 2.970 4.295 0.295 13 0 "[ . 1 .]" 1
64 1 34 ILE MD 1 174 ASN H 4.000 . 4.500 4.609 4.035 4.968 0.468 12 0 "[ . 1 .]" 1
65 1 34 ILE MG 1 36 ALA MB 4.000 3.000 5.000 3.284 2.810 4.440 0.190 12 0 "[ . 1 .]" 1
66 1 34 ILE MG 1 180 LYS QE 4.000 . 4.500 4.331 3.194 4.895 0.395 14 0 "[ . 1 .]" 1
67 1 35 PHE QE 1 128 ALA MB 4.000 . 4.500 4.792 4.662 5.112 0.612 15 1 "[ . 1 +]" 1
68 1 35 PHE QE 1 129 ILE MD 3.000 . 3.500 3.006 2.287 3.887 0.387 7 0 "[ . 1 .]" 1
69 1 36 ALA MB 1 163 VAL MG2 4.000 . 4.500 4.608 4.272 4.790 0.290 10 0 "[ . 1 .]" 1
70 1 37 GLY H 1 170 PHE QD 4.500 2.500 5.000 5.015 4.607 5.189 0.189 2 0 "[ . 1 .]" 1
71 1 44 ASP H 1 45 ALA H 2.500 . 3.000 2.660 2.624 2.705 . 0 0 "[ . 1 .]" 1
72 1 44 ASP HA 1 45 ALA H 3.000 2.500 3.500 3.526 3.508 3.537 0.037 13 0 "[ . 1 .]" 1
73 1 45 ALA H 1 45 ALA HA 2.500 . 3.000 2.817 2.782 2.828 . 0 0 "[ . 1 .]" 1
74 1 45 ALA H 1 46 PHE H 2.500 . 3.000 2.663 2.567 2.855 . 0 0 "[ . 1 .]" 1
75 1 45 ALA H 1 47 LEU H 4.000 3.500 4.500 4.253 4.093 4.530 0.030 3 0 "[ . 1 .]" 1
76 1 45 ALA HA 1 48 ILE H 3.000 2.500 3.500 3.476 3.375 3.570 0.070 8 0 "[ . 1 .]" 1
77 1 45 ALA MB 1 48 ILE H 5.000 4.500 5.500 4.539 4.475 4.608 0.025 11 0 "[ . 1 .]" 1
78 1 45 ALA MB 1 49 VAL H 5.000 4.500 5.500 5.108 4.575 5.483 . 0 0 "[ . 1 .]" 1
79 1 45 ALA MB 1 81 PHE QD 4.000 . 4.500 4.176 3.384 4.577 0.077 3 0 "[ . 1 .]" 1
80 1 46 PHE H 1 46 PHE HA 2.500 . 3.000 2.801 2.786 2.819 . 0 0 "[ . 1 .]" 1
81 1 46 PHE H 1 47 LEU H 2.500 . 3.000 2.745 2.654 2.912 . 0 0 "[ . 1 .]" 1
82 1 46 PHE H 1 48 ILE H 4.000 3.500 4.500 4.237 4.004 4.380 . 0 0 "[ . 1 .]" 1
83 1 46 PHE HA 1 49 VAL H 3.000 2.500 3.500 3.556 3.289 3.728 0.228 14 0 "[ . 1 .]" 1
84 1 47 LEU H 1 47 LEU HA 2.500 . 3.000 2.808 2.781 2.832 . 0 0 "[ . 1 .]" 1
85 1 47 LEU H 1 48 ILE H 2.500 2.300 3.000 2.695 2.579 2.810 . 0 0 "[ . 1 .]" 1
86 1 47 LEU H 1 49 VAL H 4.000 3.500 4.500 4.460 4.242 4.592 0.092 11 0 "[ . 1 .]" 1
87 1 47 LEU HA 1 48 ILE H 3.000 2.500 3.500 3.519 3.481 3.562 0.062 6 0 "[ . 1 .]" 1
88 1 47 LEU HA 1 50 ALA H 3.000 2.500 3.500 3.620 3.382 3.712 0.212 2 0 "[ . 1 .]" 1
89 1 48 ILE H 1 48 ILE HA 2.500 . 3.000 2.786 2.766 2.812 . 0 0 "[ . 1 .]" 1
90 1 48 ILE H 1 50 ALA H 3.800 3.300 4.300 4.389 4.255 4.475 0.175 3 0 "[ . 1 .]" 1
91 1 48 ILE HA 1 51 GLY H 3.000 2.500 3.500 3.138 2.829 3.399 . 0 0 "[ . 1 .]" 1
92 1 48 ILE MD 1 77 PHE QE 3.000 . 3.500 3.097 2.116 3.936 0.436 13 0 "[ . 1 .]" 1
93 1 48 ILE MD 1 78 LEU MD2 3.500 . 4.000 2.975 2.026 4.276 0.276 12 0 "[ . 1 .]" 1
94 1 48 ILE MG 1 81 PHE QD 3.000 . 3.500 3.589 3.179 3.757 0.257 1 0 "[ . 1 .]" 1
95 1 49 VAL H 1 49 VAL HA 2.500 . 3.000 2.822 2.802 2.846 . 0 0 "[ . 1 .]" 1
96 1 49 VAL H 1 50 ALA H . 3.000 3.000 2.723 2.649 2.772 0.351 5 0 "[ . 1 .]" 1
97 1 49 VAL HA 1 50 ALA H 3.000 2.500 3.500 3.522 3.501 3.535 0.035 8 0 "[ . 1 .]" 1
98 1 49 VAL HA 1 52 LEU H 3.300 2.800 3.800 3.762 3.077 4.102 0.302 5 0 "[ . 1 .]" 1
99 1 49 VAL HA 1 128 ALA H 4.000 . 4.500 4.321 4.056 4.622 0.122 15 0 "[ . 1 .]" 1
100 1 49 VAL HB 1 128 ALA MB 4.000 . 4.500 4.702 4.187 5.498 0.998 5 3 "[ + 1 - *]" 1
101 1 49 VAL MG1 1 128 ALA MB 4.000 . 4.500 4.536 2.739 4.839 0.339 2 0 "[ . 1 .]" 1
102 1 50 ALA H 1 50 ALA HA 2.500 . 3.000 2.814 2.787 2.838 . 0 0 "[ . 1 .]" 1
103 1 50 ALA H 1 51 GLY H 2.500 . 3.000 2.581 2.349 2.710 . 0 0 "[ . 1 .]" 1
104 1 50 ALA HA 1 51 GLY H 3.000 2.500 3.500 3.499 3.433 3.529 0.029 6 0 "[ . 1 .]" 1
105 1 50 ALA MB 1 131 PRO QD 4.500 2.500 5.000 4.924 4.254 5.245 0.245 6 0 "[ . 1 .]" 1
106 1 51 GLY H 1 51 GLY HA2 2.500 . 3.000 2.771 2.755 2.793 . 0 0 "[ . 1 .]" 1
107 1 51 GLY H 1 127 PRO QB 4.000 . 4.500 4.940 4.545 5.366 0.866 15 6 "[*-* * 1 * +]" 1
108 1 51 GLY HA2 1 52 LEU H 3.000 2.500 3.500 3.591 3.561 3.628 0.128 15 0 "[ . 1 .]" 1
109 1 52 LEU H 1 52 LEU HA 2.500 . 3.000 2.805 2.772 2.829 . 0 0 "[ . 1 .]" 1
110 1 52 LEU H 1 127 PRO QB 3.000 . 3.500 3.587 3.141 4.130 0.630 15 1 "[ . 1 +]" 1
111 1 52 LEU MD1 1 188 LEU MD1 2.000 . 2.500 2.633 2.209 2.927 0.427 11 0 "[ . 1 .]" 1
112 1 52 LEU MD1 1 192 TYR QD 3.500 . 4.000 4.314 4.066 4.536 0.536 14 2 "[ . 1- +.]" 1
113 1 52 LEU MD1 1 192 TYR QE 3.500 . 4.000 3.881 3.449 4.339 0.339 6 0 "[ . 1 .]" 1
114 1 52 LEU MD2 1 128 ALA H 3.000 . 3.500 2.642 2.215 3.517 0.017 12 0 "[ . 1 .]" 1
115 1 52 LEU MD2 1 131 PRO QB 4.000 . 4.500 3.691 2.378 4.521 0.021 15 0 "[ . 1 .]" 1
116 1 53 THR MG 1 188 LEU MD1 4.000 . 4.500 4.320 3.565 4.878 0.378 11 0 "[ . 1 .]" 1
117 1 55 SER H 1 56 MET H 2.500 . 3.000 2.488 2.425 2.572 . 0 0 "[ . 1 .]" 1
118 1 56 MET H 1 56 MET HA 2.500 . 3.000 2.789 2.769 2.808 . 0 0 "[ . 1 .]" 1
119 1 56 MET H 1 57 LEU H 2.500 . 3.000 2.834 2.710 2.935 . 0 0 "[ . 1 .]" 1
120 1 56 MET H 1 70 PHE QD 4.500 2.500 5.000 5.754 5.607 6.094 1.094 7 15 [******+***-****] 1
121 1 56 MET HA 1 57 LEU H 3.000 2.500 3.500 3.536 3.491 3.570 0.070 9 0 "[ . 1 .]" 1
122 1 56 MET HA 1 59 LEU H 3.300 2.800 3.800 3.343 3.121 3.570 . 0 0 "[ . 1 .]" 1
123 1 57 LEU H 1 57 LEU HA 2.500 . 3.000 2.788 2.774 2.803 . 0 0 "[ . 1 .]" 1
124 1 57 LEU H 1 58 ILE H 2.500 . 3.000 2.729 2.630 2.881 . 0 0 "[ . 1 .]" 1
125 1 57 LEU HA 1 58 ILE H 3.000 2.500 3.500 3.514 3.465 3.554 0.054 9 0 "[ . 1 .]" 1
126 1 58 ILE H 1 58 ILE HA 2.500 . 3.000 2.797 2.779 2.817 . 0 0 "[ . 1 .]" 1
127 1 58 ILE H 1 59 LEU H 2.500 . 3.000 2.771 2.662 2.898 . 0 0 "[ . 1 .]" 1
128 1 58 ILE H 1 60 GLY H 4.300 3.800 4.800 4.306 4.177 4.475 . 0 0 "[ . 1 .]" 1
129 1 58 ILE HA 1 59 LEU H 3.000 2.500 3.500 3.562 3.524 3.608 0.108 6 0 "[ . 1 .]" 1
130 1 58 ILE MG 1 66 PHE QD 4.000 . 4.500 3.638 2.224 4.577 0.077 2 0 "[ . 1 .]" 1
131 1 58 ILE MG 1 71 ARG QD 3.500 . 4.500 3.255 2.093 4.169 . 0 0 "[ . 1 .]" 1
132 1 58 ILE MG 1 71 ARG QG 3.000 . 3.500 3.531 2.929 3.908 0.408 14 0 "[ . 1 .]" 1
133 1 59 LEU H 1 59 LEU HA 2.500 . 3.000 2.801 2.771 2.828 . 0 0 "[ . 1 .]" 1
134 1 59 LEU H 1 59 LEU HB2 2.700 2.200 3.200 2.482 2.144 3.339 0.139 10 0 "[ . 1 .]" 1
135 1 59 LEU H 1 59 LEU HB3 2.700 2.200 3.200 2.811 2.055 3.538 0.338 11 0 "[ . 1 .]" 1
136 1 59 LEU H 1 60 GLY H 2.500 . 3.000 2.698 2.543 2.761 . 0 0 "[ . 1 .]" 1
137 1 59 LEU H 1 192 TYR QE 4.000 . 4.500 4.846 4.720 5.011 0.511 12 1 "[ . 1 + .]" 1
138 1 59 LEU H 1 198 VAL QG 4.500 2.500 5.500 5.600 5.359 5.803 0.303 5 0 "[ . 1 .]" 1
139 1 59 LEU QD 1 192 TYR QD 4.000 . 4.500 3.357 2.369 4.402 . 0 0 "[ . 1 .]" 1
140 1 60 GLY H 1 60 GLY HA2 2.500 . 3.000 2.719 2.538 2.894 . 0 0 "[ . 1 .]" 1
141 1 60 GLY H 1 61 TYR H 2.800 2.300 3.300 3.209 2.732 3.820 0.520 15 1 "[ . 1 +]" 1
142 1 60 GLY H 1 192 TYR QE 4.000 . 4.500 3.973 3.266 4.861 0.361 6 0 "[ . 1 .]" 1
143 1 63 ALA H 1 63 ALA HA 2.800 2.300 3.300 2.827 2.293 2.976 0.007 14 0 "[ . 1 .]" 1
144 1 63 ALA H 1 66 PHE QD 3.500 3.000 4.000 4.080 2.911 4.567 0.567 4 2 "[ +. 1 -]" 1
145 1 63 ALA MB 1 66 PHE H 4.000 3.500 4.500 3.650 3.201 4.539 0.299 7 0 "[ . 1 .]" 1
146 1 63 ALA MB 1 67 PHE H 4.000 3.500 4.500 4.589 3.643 4.959 0.459 7 0 "[ . 1 .]" 1
147 1 66 PHE H 1 66 PHE HA 2.600 2.100 3.100 2.935 2.882 2.962 . 0 0 "[ . 1 .]" 1
148 1 66 PHE H 1 66 PHE HB2 2.600 2.100 3.100 2.525 2.207 3.556 0.456 15 0 "[ . 1 .]" 1
149 1 66 PHE H 1 66 PHE HB3 2.600 2.100 3.100 3.325 2.674 3.681 0.581 1 2 "[+ -. 1 .]" 1
150 1 66 PHE H 1 67 PHE H 2.500 . 3.000 2.675 1.835 3.245 0.245 6 0 "[ . 1 .]" 1
151 1 66 PHE H 1 68 GLY H 3.000 2.500 3.500 3.597 3.397 3.759 0.259 5 0 "[ . 1 .]" 1
152 1 66 PHE HA 1 67 PHE H 2.600 2.100 3.100 3.185 2.805 3.508 0.408 15 0 "[ . 1 .]" 1
153 1 67 PHE H 1 67 PHE HA 2.800 2.300 3.300 2.510 2.243 2.920 0.057 4 0 "[ . 1 .]" 1
154 1 67 PHE H 1 67 PHE QB 2.800 2.300 3.300 2.990 2.621 3.381 0.081 5 0 "[ . 1 .]" 1
155 1 67 PHE H 1 68 GLY H 2.800 2.300 3.000 2.689 2.203 3.015 0.097 6 0 "[ . 1 .]" 1
156 1 67 PHE HA 1 68 GLY H 2.800 2.300 3.300 2.682 2.359 2.941 . 0 0 "[ . 1 .]" 1
157 1 68 GLY H 1 69 PHE H 2.500 . 3.000 2.678 2.581 2.859 . 0 0 "[ . 1 .]" 1
158 1 68 GLY H 1 70 PHE H 4.000 3.500 4.500 4.302 4.092 4.556 0.056 11 0 "[ . 1 .]" 1
159 1 69 PHE H 1 70 PHE H 2.700 2.200 3.200 2.767 2.632 2.895 . 0 0 "[ . 1 .]" 1
160 1 69 PHE HA 1 72 VAL H 3.000 2.500 3.500 3.639 3.420 3.775 0.275 13 0 "[ . 1 .]" 1
161 1 69 PHE QD 1 73 VAL H 4.500 4.000 5.000 4.924 4.452 5.102 0.102 1 0 "[ . 1 .]" 1
162 1 70 PHE H 1 70 PHE HB2 2.300 . 2.800 2.634 2.571 2.735 . 0 0 "[ . 1 .]" 1
163 1 70 PHE H 1 70 PHE HB3 2.300 . 2.800 2.440 2.326 2.583 . 0 0 "[ . 1 .]" 1
164 1 70 PHE H 1 71 ARG H 2.500 . 3.000 2.903 2.778 3.013 0.013 10 0 "[ . 1 .]" 1
165 1 70 PHE HA 1 71 ARG H 3.000 2.500 3.500 3.563 3.534 3.599 0.099 10 0 "[ . 1 .]" 1
166 1 70 PHE HA 1 73 VAL H 3.200 2.700 3.700 3.917 3.716 4.152 0.452 14 0 "[ . 1 .]" 1
167 1 71 ARG H 1 72 VAL H 2.500 . 3.000 2.859 2.735 2.959 . 0 0 "[ . 1 .]" 1
168 1 72 VAL H 1 72 VAL HA 2.500 . 3.000 2.830 2.815 2.842 . 0 0 "[ . 1 .]" 1
169 1 72 VAL H 1 73 VAL H 2.500 2.100 3.000 2.869 2.752 2.970 . 0 0 "[ . 1 .]" 1
170 1 72 VAL HA 1 73 VAL H 3.200 2.700 3.700 3.599 3.557 3.639 . 0 0 "[ . 1 .]" 1
171 1 72 VAL HA 1 75 MET H 3.000 2.500 3.500 3.824 3.653 4.073 0.573 15 2 "[ . 1- +]" 1
172 1 73 VAL H 1 73 VAL HA 2.500 . 3.000 2.835 2.818 2.846 . 0 0 "[ . 1 .]" 1
173 1 73 VAL H 1 74 ALA H 2.400 2.300 2.900 2.676 2.586 2.709 . 0 0 "[ . 1 .]" 1
174 1 73 VAL H 1 75 MET H 4.000 3.500 4.500 4.288 4.001 4.513 0.013 15 0 "[ . 1 .]" 1
175 1 73 VAL MG1 1 115 PHE QD 3.000 . 3.500 3.772 3.634 4.019 0.519 5 1 "[ + 1 .]" 1
176 1 73 VAL MG1 1 120 LEU MD1 4.000 . 4.500 4.883 4.498 5.372 0.872 11 5 "[ - .* **1+ .]" 1
177 1 73 VAL MG2 1 115 PHE QD 3.000 . 3.500 3.640 3.518 3.830 0.330 4 0 "[ . 1 .]" 1
178 1 74 ALA H 1 75 MET H 2.500 . 3.000 2.777 2.621 2.933 . 0 0 "[ . 1 .]" 1
179 1 74 ALA MB 1 77 PHE H 5.000 4.500 5.500 4.664 4.505 4.886 . 0 0 "[ . 1 .]" 1
180 1 74 ALA MB 1 78 LEU H 5.000 4.500 5.500 5.172 4.776 5.570 0.070 13 0 "[ . 1 .]" 1
181 1 75 MET H 1 75 MET HA 2.500 . 3.000 2.796 2.759 2.839 . 0 0 "[ . 1 .]" 1
182 1 76 LEU QD 1 123 PHE QD 3.000 . 3.500 3.377 2.466 4.269 0.769 11 1 "[ . 1+ .]" 1
183 1 77 PHE H 1 77 PHE HA 2.500 . 3.000 2.805 2.771 2.841 . 0 0 "[ . 1 .]" 1
184 1 77 PHE H 1 78 LEU H 2.500 . 3.000 2.671 2.517 2.867 . 0 0 "[ . 1 .]" 1
185 1 77 PHE H 1 79 LEU H 4.000 3.500 4.500 4.266 4.131 4.472 . 0 0 "[ . 1 .]" 1
186 1 78 LEU H 1 78 LEU HA 2.500 . 3.000 2.790 2.755 2.830 . 0 0 "[ . 1 .]" 1
187 1 78 LEU H 1 79 LEU H 2.500 . 3.000 2.757 2.651 2.919 . 0 0 "[ . 1 .]" 1
188 1 78 LEU MD1 1 127 PRO QD 3.500 . 4.000 3.098 2.449 4.184 0.184 11 0 "[ . 1 .]" 1
189 1 79 LEU H 1 79 LEU HA 2.500 . 3.000 2.770 2.757 2.783 . 0 0 "[ . 1 .]" 1
190 1 79 LEU H 1 80 ILE H 2.500 . 3.000 2.905 2.793 3.015 0.015 4 0 "[ . 1 .]" 1
191 1 79 LEU HA 1 82 ALA H 3.000 2.500 3.500 3.284 3.097 3.541 0.041 13 0 "[ . 1 .]" 1
192 1 79 LEU QD 1 123 PHE QD 4.500 2.500 5.000 3.134 2.245 4.344 0.255 11 0 "[ . 1 .]" 1
193 1 81 PHE H 1 82 ALA H 2.500 . 3.000 2.645 2.573 2.738 . 0 0 "[ . 1 .]" 1
194 1 81 PHE H 1 83 LEU H 4.000 3.500 4.500 4.210 4.044 4.358 . 0 0 "[ . 1 .]" 1
195 1 81 PHE QB 1 126 LEU QD 4.500 2.500 5.000 4.199 2.760 5.148 0.148 12 0 "[ . 1 .]" 1
196 1 82 ALA H 1 82 ALA HA 2.500 . 3.000 2.814 2.773 2.831 . 0 0 "[ . 1 .]" 1
197 1 82 ALA H 1 83 LEU H 2.500 . 3.000 2.723 2.654 2.863 . 0 0 "[ . 1 .]" 1
198 1 82 ALA H 1 84 ILE H 4.000 3.500 4.500 4.472 4.282 4.651 0.151 2 0 "[ . 1 .]" 1
199 1 82 ALA HA 1 83 LEU H 3.000 2.500 3.500 3.529 3.514 3.561 0.061 3 0 "[ . 1 .]" 1
200 1 82 ALA HA 1 85 LEU H 3.000 2.500 3.500 3.501 3.369 3.604 0.104 7 0 "[ . 1 .]" 1
201 1 82 ALA MB 1 85 LEU H 5.000 4.500 5.500 4.556 4.477 4.751 0.023 13 0 "[ . 1 .]" 1
202 1 82 ALA MB 1 86 LEU H 5.000 4.500 5.500 4.640 4.315 5.039 0.185 11 0 "[ . 1 .]" 1
203 1 83 LEU H 1 83 LEU HA 2.500 . 3.000 2.773 2.757 2.783 . 0 0 "[ . 1 .]" 1
204 1 83 LEU H 1 84 ILE H 2.500 . 3.000 2.852 2.775 2.933 . 0 0 "[ . 1 .]" 1
205 1 83 LEU H 1 85 LEU H 4.000 3.500 4.500 4.429 4.217 4.579 0.079 10 0 "[ . 1 .]" 1
206 1 83 LEU HA 1 84 ILE H 3.000 2.500 3.500 3.543 3.518 3.568 0.068 11 0 "[ . 1 .]" 1
207 1 84 ILE H 1 84 ILE HA 2.500 . 3.000 2.819 2.798 2.840 . 0 0 "[ . 1 .]" 1
208 1 84 ILE H 1 85 LEU H 2.500 . 3.000 2.737 2.642 2.820 . 0 0 "[ . 1 .]" 1
209 1 84 ILE H 1 86 LEU H 4.000 3.500 4.500 4.381 4.298 4.505 0.005 8 0 "[ . 1 .]" 1
210 1 84 ILE HA 1 87 SER H 3.200 2.700 3.700 3.561 3.279 3.732 0.032 11 0 "[ . 1 .]" 1
211 1 85 LEU H 1 85 LEU HA 2.500 . 3.000 2.818 2.777 2.833 . 0 0 "[ . 1 .]" 1
212 1 85 LEU H 1 86 LEU H 2.500 . 3.000 2.743 2.703 2.838 . 0 0 "[ . 1 .]" 1
213 1 85 LEU H 1 87 SER H 4.300 3.800 4.800 4.157 3.978 4.487 . 0 0 "[ . 1 .]" 1
214 1 85 LEU HA 1 86 LEU H 3.000 2.500 3.500 3.556 3.537 3.569 0.069 8 0 "[ . 1 .]" 1
215 1 85 LEU MD1 1 91 ASP QB 4.500 2.500 5.000 4.855 4.159 5.181 0.181 12 0 "[ . 1 .]" 1
216 1 85 LEU MD1 1 94 VAL HB 4.000 . 4.500 3.889 2.666 4.566 0.066 4 0 "[ . 1 .]" 1
217 1 85 LEU MD2 1 94 VAL MG1 4.000 . 4.500 3.895 2.078 4.535 0.035 11 0 "[ . 1 .]" 1
218 1 86 LEU H 1 86 LEU HA 2.500 . 3.000 2.830 2.793 2.843 . 0 0 "[ . 1 .]" 1
219 1 86 LEU H 1 87 SER H 2.500 . 3.000 2.661 2.589 2.819 . 0 0 "[ . 1 .]" 1
220 1 86 LEU QD 1 98 ALA HA 4.000 . 4.500 4.240 3.606 4.580 0.080 5 0 "[ . 1 .]" 1
221 1 86 LEU MD1 1 97 PHE QD 3.500 . 4.000 3.721 2.754 4.108 0.108 6 0 "[ . 1 .]" 1
222 1 86 LEU MD2 1 97 PHE QE 3.500 . 4.000 3.604 2.239 4.072 0.072 15 0 "[ . 1 .]" 1
223 1 86 LEU HG 1 98 ALA MB 3.500 . 4.000 4.062 3.655 4.217 0.217 11 0 "[ . 1 .]" 1
224 1 87 SER H 1 87 SER HA 2.500 . 3.000 2.806 2.772 2.834 . 0 0 "[ . 1 .]" 1
225 1 87 SER H 1 88 ASP H 2.700 2.200 3.200 2.731 2.601 2.907 . 0 0 "[ . 1 .]" 1
226 1 88 ASP HA 1 89 GLU H 2.600 2.100 3.100 2.705 2.250 3.365 0.265 8 0 "[ . 1 .]" 1
227 1 89 GLU H 1 89 GLU HA 2.600 2.100 3.100 2.685 2.285 2.933 . 0 0 "[ . 1 .]" 1
228 1 89 GLU HA 1 90 LEU H 2.500 . 3.000 2.512 2.146 3.493 0.493 5 0 "[ . 1 .]" 1
229 1 90 LEU H 1 90 LEU HA 2.700 2.200 3.200 2.683 2.287 2.970 . 0 0 "[ . 1 .]" 1
230 1 90 LEU HA 1 91 ASP H 2.400 . 2.900 2.326 2.149 3.160 0.260 10 0 "[ . 1 .]" 1
231 1 90 LEU HA 1 94 VAL MG2 3.500 3.000 4.000 3.405 2.772 4.085 0.228 8 0 "[ . 1 .]" 1
232 1 91 ASP H 1 91 ASP HA 2.800 2.300 3.300 2.864 2.289 2.969 0.011 10 0 "[ . 1 .]" 1
233 1 91 ASP HA 1 92 GLU H 2.600 2.100 3.100 2.589 2.410 2.859 . 0 0 "[ . 1 .]" 1
234 1 91 ASP HA 1 94 VAL MG1 3.500 3.000 4.000 4.236 4.036 4.420 0.420 13 0 "[ . 1 .]" 1
235 1 91 ASP HA 1 94 VAL MG2 4.000 3.500 4.500 4.089 3.666 4.638 0.138 14 0 "[ . 1 .]" 1
236 1 92 GLU H 1 92 GLU HA 2.800 2.300 3.300 2.838 2.276 2.969 0.024 8 0 "[ . 1 .]" 1
237 1 92 GLU H 1 94 VAL H 4.500 4.000 5.000 3.884 3.706 4.237 0.294 14 0 "[ . 1 .]" 1
238 1 92 GLU H 1 94 VAL MG1 4.000 3.500 4.500 3.962 3.340 4.758 0.258 14 0 "[ . 1 .]" 1
239 1 92 GLU H 1 95 SER H 4.500 4.000 5.000 5.062 4.364 5.518 0.518 12 1 "[ . 1 + .]" 1
240 1 92 GLU HA 1 93 LYS H 2.800 2.300 3.300 3.107 2.227 3.556 0.256 2 0 "[ . 1 .]" 1
241 1 93 LYS H 1 93 LYS HA 2.800 2.300 3.300 2.632 2.274 2.972 0.026 6 0 "[ . 1 .]" 1
242 1 93 LYS H 1 94 VAL H 2.700 2.200 3.200 2.816 2.006 3.282 0.194 13 0 "[ . 1 .]" 1
243 1 93 LYS H 1 95 SER H 4.000 3.500 4.500 4.047 3.431 4.589 0.089 14 0 "[ . 1 .]" 1
244 1 93 LYS HA 1 96 ILE H 3.000 2.500 3.500 3.314 2.969 3.580 0.080 6 0 "[ . 1 .]" 1
245 1 93 LYS QG 1 181 VAL H 4.000 . 4.500 4.944 4.653 5.263 0.763 3 6 "[* + . *-** .]" 1
246 1 94 VAL H 1 95 SER H 2.500 . 3.000 2.664 2.528 2.861 . 0 0 "[ . 1 .]" 1
247 1 94 VAL H 1 96 ILE H 4.000 3.500 4.500 4.240 3.974 4.467 . 0 0 "[ . 1 .]" 1
248 1 95 SER H 1 95 SER HA 2.500 . 3.000 2.835 2.807 2.857 . 0 0 "[ . 1 .]" 1
249 1 95 SER H 1 96 ILE H 2.500 . 3.000 2.694 2.564 2.903 . 0 0 "[ . 1 .]" 1
250 1 96 ILE H 1 96 ILE HA 2.500 . 3.000 2.827 2.793 2.845 . 0 0 "[ . 1 .]" 1
251 1 96 ILE H 1 97 PHE H 2.500 . 3.000 2.628 2.534 2.800 . 0 0 "[ . 1 .]" 1
252 1 96 ILE H 1 98 ALA H 4.000 3.500 4.500 4.270 4.171 4.417 . 0 0 "[ . 1 .]" 1
253 1 96 ILE HA 1 99 SER H 3.000 2.500 3.500 2.954 2.805 3.190 . 0 0 "[ . 1 .]" 1
254 1 96 ILE QG 1 99 SER H 4.500 4.000 5.000 5.077 4.676 5.482 0.482 10 0 "[ . 1 .]" 1
255 1 96 ILE MG 1 99 SER H 4.000 3.500 4.500 4.262 3.803 4.797 0.297 9 0 "[ . 1 .]" 1
256 1 97 PHE H 1 97 PHE HA 2.500 . 3.000 2.781 2.748 2.800 . 0 0 "[ . 1 .]" 1
257 1 97 PHE H 1 97 PHE HB2 2.500 . 3.000 2.890 2.564 3.201 0.201 5 0 "[ . 1 .]" 1
258 1 97 PHE H 1 97 PHE HB3 2.500 . 3.000 2.255 2.034 3.529 0.529 15 1 "[ . 1 +]" 1
259 1 97 PHE H 1 98 ALA H 2.500 . 3.000 2.733 2.661 2.773 . 0 0 "[ . 1 .]" 1
260 1 97 PHE H 1 99 SER H 4.000 3.500 4.500 3.934 3.805 4.044 . 0 0 "[ . 1 .]" 1
261 1 97 PHE HA 1 98 ALA H 3.000 2.500 3.500 3.536 3.512 3.553 0.053 15 0 "[ . 1 .]" 1
262 1 97 PHE QE 1 126 LEU QD 4.000 . 4.500 2.409 2.013 3.474 . 0 0 "[ . 1 .]" 1
263 1 98 ALA H 1 98 ALA HA 2.500 . 3.000 2.840 2.815 2.855 . 0 0 "[ . 1 .]" 1
264 1 98 ALA H 1 99 SER H 2.500 . 3.000 2.548 2.478 2.644 . 0 0 "[ . 1 .]" 1
265 1 98 ALA H 1 100 ARG H 4.000 3.500 4.500 4.228 4.028 4.495 . 0 0 "[ . 1 .]" 1
266 1 98 ALA HA 1 101 MET H 3.000 2.500 3.500 3.593 3.436 3.765 0.265 6 0 "[ . 1 .]" 1
267 1 99 SER H 1 100 ARG H 2.500 . 3.000 2.784 2.620 2.951 . 0 0 "[ . 1 .]" 1
268 1 99 SER H 1 101 MET H 4.000 3.500 4.500 4.294 4.145 4.455 . 0 0 "[ . 1 .]" 1
269 1 99 SER HA 1 102 THR H 3.000 2.500 3.500 3.409 3.226 3.569 0.069 10 0 "[ . 1 .]" 1
270 1 100 ARG H 1 100 ARG HA 2.500 . 3.000 2.799 2.770 2.825 . 0 0 "[ . 1 .]" 1
271 1 100 ARG H 1 101 MET H 2.500 . 3.000 2.674 2.589 2.783 . 0 0 "[ . 1 .]" 1
272 1 100 ARG H 1 125 TRP HZ2 3.500 . 4.000 4.413 4.202 4.608 0.608 9 4 "[*- . +1 *.]" 1
273 1 100 ARG HA 1 101 MET H 3.000 2.500 3.500 3.519 3.503 3.537 0.037 9 0 "[ . 1 .]" 1
274 1 100 ARG HA 1 103 SER H 3.000 2.500 3.500 3.342 3.098 3.586 0.086 2 0 "[ . 1 .]" 1
275 1 100 ARG QD 1 125 TRP H 4.000 . 4.500 4.887 4.681 5.324 0.824 7 2 "[ . +- 1 .]" 1
276 1 100 ARG QG 1 186 VAL H 3.500 . 4.000 4.314 3.959 4.620 0.620 4 3 "[ *+. 1- .]" 1
277 1 101 MET H 1 101 MET HA 2.500 . 3.000 2.792 2.770 2.833 . 0 0 "[ . 1 .]" 1
278 1 101 MET H 1 102 THR H 2.500 . 3.000 2.816 2.662 2.942 . 0 0 "[ . 1 .]" 1
279 1 101 MET H 1 103 SER H 4.000 3.500 4.500 4.342 4.204 4.475 . 0 0 "[ . 1 .]" 1
280 1 101 MET HA 1 102 THR H 3.000 2.500 3.500 3.562 3.536 3.595 0.095 4 0 "[ . 1 .]" 1
281 1 101 MET QG 1 122 ALA MB 4.000 . 4.500 2.467 1.983 4.571 0.071 1 0 "[ . 1 .]" 1
282 1 102 THR H 1 102 THR HA 2.500 . 3.000 2.830 2.823 2.838 . 0 0 "[ . 1 .]" 1
283 1 102 THR H 1 103 SER H 2.500 . 3.000 2.726 2.687 2.761 . 0 0 "[ . 1 .]" 1
284 1 103 SER H 1 103 SER HA 2.500 . 3.000 2.833 2.823 2.845 . 0 0 "[ . 1 .]" 1
285 1 103 SER H 1 104 GLY H 2.500 . 3.000 2.682 2.617 2.749 . 0 0 "[ . 1 .]" 1
286 1 104 GLY H 1 104 GLY HA2 2.500 . 3.000 2.820 2.775 2.842 . 0 0 "[ . 1 .]" 1
287 1 104 GLY H 1 105 LEU H 2.500 . 3.000 2.721 2.584 2.921 . 0 0 "[ . 1 .]" 1
288 1 104 GLY QA 1 190 LEU MD2 3.500 . 4.000 4.250 4.134 4.484 0.484 14 0 "[ . 1 .]" 1
289 1 105 LEU HA 1 122 ALA MB 4.000 . 4.500 4.669 4.517 4.835 0.335 1 0 "[ . 1 .]" 1
290 1 106 SER H 1 121 LEU MD2 4.500 2.500 5.000 4.029 2.585 5.053 0.053 14 0 "[ . 1 .]" 1
291 1 107 TRP QB 1 112 LEU H 3.500 . 4.000 4.030 3.291 4.474 0.474 4 0 "[ . 1 .]" 1
292 1 115 PHE H 1 115 PHE HB2 2.500 . 3.000 2.717 2.093 3.501 0.501 11 1 "[ . 1+ .]" 1
293 1 115 PHE H 1 115 PHE HB3 2.500 . 3.000 3.012 2.520 3.717 0.717 5 1 "[ + 1 .]" 1
294 1 115 PHE H 1 116 PHE H 3.300 2.800 3.800 3.294 2.661 4.131 0.331 7 0 "[ . 1 .]" 1
295 1 115 PHE QD 1 120 LEU MD2 3.000 . 3.500 2.854 2.234 3.760 0.260 4 0 "[ . 1 .]" 1
296 1 115 PHE QE 1 120 LEU MD2 3.000 . 3.500 3.364 2.141 3.996 0.496 2 0 "[ . 1 .]" 1
297 1 116 PHE H 1 117 PHE H 2.500 . 3.000 3.108 2.544 3.429 0.429 3 0 "[ . 1 .]" 1
298 1 117 PHE H 1 118 GLY H 2.500 . 3.000 3.032 2.614 3.683 0.683 12 1 "[ . 1 + .]" 1
299 1 118 GLY H 1 118 GLY HA2 2.500 . 3.000 2.804 2.795 2.812 . 0 0 "[ . 1 .]" 1
300 1 118 GLY H 1 119 MET H 2.500 . 3.000 2.813 2.711 2.885 . 0 0 "[ . 1 .]" 1
301 1 118 GLY H 1 120 LEU H 4.000 4.000 4.500 4.240 4.080 4.587 0.087 11 0 "[ . 1 .]" 1
302 1 118 GLY QA 1 121 LEU H 3.200 2.700 3.700 3.463 3.269 3.877 0.177 11 0 "[ . 1 .]" 1
303 1 119 MET H 1 119 MET HA 2.500 . 3.000 2.797 2.771 2.828 . 0 0 "[ . 1 .]" 1
304 1 119 MET H 1 119 MET QB 2.400 . 2.900 2.349 2.023 2.720 . 0 0 "[ . 1 .]" 1
305 1 119 MET H 1 120 LEU H 2.500 . 3.000 2.638 2.520 2.869 . 0 0 "[ . 1 .]" 1
306 1 119 MET HA 1 122 ALA H 3.300 2.800 3.800 3.775 3.584 3.940 0.140 6 0 "[ . 1 .]" 1
307 1 120 LEU H 1 120 LEU HA 2.500 . 3.000 2.790 2.773 2.807 . 0 0 "[ . 1 .]" 1
308 1 120 LEU H 1 122 ALA H 4.000 3.500 4.500 4.402 4.254 4.534 0.034 6 0 "[ . 1 .]" 1
309 1 120 LEU HA 1 121 LEU H 3.500 3.000 4.000 3.551 3.504 3.591 . 0 0 "[ . 1 .]" 1
310 1 120 LEU HA 1 123 PHE H 3.000 2.500 3.500 3.576 3.109 3.852 0.352 10 0 "[ . 1 .]" 1
311 1 121 LEU H 1 121 LEU HA 2.500 . 3.000 2.791 2.766 2.821 . 0 0 "[ . 1 .]" 1
312 1 121 LEU H 1 121 LEU HB2 2.200 . 2.700 2.654 2.021 3.507 0.807 11 3 "[ .* 1+ - .]" 1
313 1 121 LEU H 1 121 LEU HB3 2.200 . 2.700 2.563 2.033 3.461 0.761 12 1 "[ . 1 + .]" 1
314 1 121 LEU H 1 122 ALA H 2.500 . 3.000 2.747 2.660 2.822 . 0 0 "[ . 1 .]" 1
315 1 121 LEU HA 1 122 ALA H 3.000 2.500 3.500 3.527 3.491 3.561 0.061 12 0 "[ . 1 .]" 1
316 1 121 LEU HA 1 124 LEU H 3.300 2.800 3.800 3.694 3.342 4.192 0.392 10 0 "[ . 1 .]" 1
317 1 121 LEU MD1 1 189 TYR QE 3.000 . 3.500 2.541 2.137 3.633 0.133 12 0 "[ . 1 .]" 1
318 1 122 ALA H 1 122 ALA HA 2.500 . 3.000 2.798 2.773 2.820 . 0 0 "[ . 1 .]" 1
319 1 122 ALA H 1 123 PHE H 2.500 . 3.000 2.703 2.550 2.935 . 0 0 "[ . 1 .]" 1
320 1 122 ALA H 1 124 LEU H 4.000 3.500 4.500 4.425 4.113 4.855 0.355 10 0 "[ . 1 .]" 1
321 1 123 PHE H 1 123 PHE HA 2.500 . 3.000 2.778 2.747 2.803 . 0 0 "[ . 1 .]" 1
322 1 123 PHE H 1 123 PHE HB2 2.700 2.200 3.200 2.548 2.172 3.631 0.431 2 0 "[ . 1 .]" 1
323 1 123 PHE H 1 123 PHE HB3 2.700 2.200 3.200 3.433 2.794 3.527 0.327 1 0 "[ . 1 .]" 1
324 1 123 PHE H 1 124 LEU H 2.500 . 3.000 2.834 2.617 3.098 0.098 10 0 "[ . 1 .]" 1
325 1 123 PHE HA 1 124 LEU H 3.000 2.500 3.500 3.536 3.473 3.602 0.102 10 0 "[ . 1 .]" 1
326 1 124 LEU H 1 124 LEU HA 2.500 . 3.000 2.759 2.737 2.778 . 0 0 "[ . 1 .]" 1
327 1 124 LEU H 1 124 LEU HB2 2.200 . 2.700 2.501 2.044 3.423 0.723 10 3 "[ * . + -.]" 1
328 1 124 LEU H 1 124 LEU HB3 2.200 . 2.700 2.727 1.963 3.493 0.793 9 2 "[ .- +1 .]" 1
329 1 124 LEU H 1 125 TRP H 2.500 . 3.000 3.038 2.973 3.128 0.128 2 0 "[ . 1 .]" 1
330 1 125 TRP H 1 125 TRP HA 2.500 . 3.000 2.802 2.774 2.818 . 0 0 "[ . 1 .]" 1
331 1 125 TRP H 1 126 LEU H 2.500 . 3.000 3.023 2.946 3.113 0.113 10 0 "[ . 1 .]" 1
332 1 125 TRP HA 1 128 ALA H 3.200 2.700 3.700 4.036 3.830 4.156 0.456 13 0 "[ . 1 .]" 1
333 1 125 TRP HA 1 128 ALA MB 3.000 2.500 3.500 3.417 2.732 3.854 0.354 15 0 "[ . 1 .]" 1
334 1 125 TRP QB 1 185 ILE MD 4.000 . 4.500 3.347 2.273 4.057 . 0 0 "[ . 1 .]" 1
335 1 128 ALA H 1 128 ALA HA 2.500 . 3.000 2.683 2.463 2.846 . 0 0 "[ . 1 .]" 1
336 1 128 ALA H 1 129 ILE H 2.500 . 3.000 4.085 3.927 4.286 1.286 15 15 [**-***********+] 1
337 1 128 ALA MB 1 185 ILE HA 4.000 . 4.500 4.076 3.091 4.841 0.341 15 0 "[ . 1 .]" 1
338 1 129 ILE H 1 184 ALA MB 4.000 . 4.500 4.408 3.721 4.819 0.319 10 0 "[ . 1 .]" 1
339 1 129 ILE MD 1 184 ALA HA 3.500 . 4.000 4.502 4.118 4.780 0.780 6 10 "[*** *+ * *-* *.]" 1
340 1 129 ILE QG 1 184 ALA H 3.500 . 4.000 4.359 4.152 4.625 0.625 3 1 "[ + . 1 .]" 1
341 1 129 ILE MG 1 133 ALA H 3.500 3.000 4.000 4.265 4.049 4.534 0.534 7 1 "[ . + 1 .]" 1
342 1 129 ILE MG 1 133 ALA MB 3.500 3.000 4.000 3.694 3.376 3.934 . 0 0 "[ . 1 .]" 1
343 1 131 PRO HA 1 134 GLY H 3.000 2.500 3.500 2.923 2.696 3.149 . 0 0 "[ . 1 .]" 1
344 1 131 PRO QG 1 134 GLY H 3.500 3.000 4.000 4.872 4.742 5.095 1.095 13 15 [********-***+**] 1
345 1 132 PHE H 1 133 ALA H 2.500 . 3.000 2.504 2.449 2.572 . 0 0 "[ . 1 .]" 1
346 1 132 PHE HA 1 133 ALA H 2.500 . 3.000 3.452 3.426 3.498 0.498 15 0 "[ . 1 .]" 1
347 1 132 PHE QD 1 135 ILE MD 4.000 3.500 4.500 3.701 3.288 4.574 0.212 13 0 "[ . 1 .]" 1
348 1 132 PHE QE 1 187 LEU MD1 4.000 . 4.500 3.000 2.022 4.638 0.138 15 0 "[ . 1 .]" 1
349 1 132 PHE QE 1 188 LEU MD1 3.000 . 3.500 3.426 2.497 3.795 0.295 4 0 "[ . 1 .]" 1
350 1 133 ALA H 1 133 ALA HA 2.500 . 3.000 2.834 2.811 2.847 . 0 0 "[ . 1 .]" 1
351 1 133 ALA H 1 134 GLY H 2.500 . 3.000 2.520 2.412 2.718 . 0 0 "[ . 1 .]" 1
352 1 133 ALA H 1 135 ILE H 4.000 3.500 4.500 4.195 3.945 4.446 . 0 0 "[ . 1 .]" 1
353 1 133 ALA HA 1 134 GLY H 3.000 2.500 3.500 3.545 3.508 3.613 0.113 13 0 "[ . 1 .]" 1
354 1 133 ALA HA 1 136 ALA H 3.000 2.500 3.500 3.637 3.505 3.752 0.252 7 0 "[ . 1 .]" 1
355 1 133 ALA MB 1 160 ILE MD 4.000 . 4.500 3.860 2.158 4.617 0.117 8 0 "[ . 1 .]" 1
356 1 134 GLY H 1 134 GLY HA2 2.500 . 3.000 2.829 2.812 2.844 . 0 0 "[ . 1 .]" 1
357 1 134 GLY H 1 135 ILE H 2.500 . 3.000 2.816 2.664 2.953 . 0 0 "[ . 1 .]" 1
358 1 134 GLY H 1 136 ALA H 4.000 3.500 4.500 4.400 4.308 4.487 . 0 0 "[ . 1 .]" 1
359 1 134 GLY HA2 1 137 ILE H 3.300 2.800 3.800 3.786 3.531 3.936 0.136 10 0 "[ . 1 .]" 1
360 1 135 ILE H 1 135 ILE HA 2.500 . 3.000 2.807 2.793 2.825 . 0 0 "[ . 1 .]" 1
361 1 135 ILE H 1 136 ALA H 2.500 . 3.000 2.771 2.681 2.846 . 0 0 "[ . 1 .]" 1
362 1 135 ILE HA 1 136 ALA H 3.000 2.500 3.500 3.536 3.508 3.571 0.071 4 0 "[ . 1 .]" 1
363 1 135 ILE HA 1 138 SER H 3.000 2.500 3.500 3.543 3.366 3.644 0.144 3 0 "[ . 1 .]" 1
364 1 135 ILE MD 1 152 TYR QD 3.500 . 4.000 4.036 3.575 4.338 0.338 10 0 "[ . 1 .]" 1
365 1 135 ILE MG 1 139 GLN QE 3.500 3.000 4.000 3.948 3.389 4.440 0.440 3 0 "[ . 1 .]" 1
366 1 136 ALA H 1 136 ALA HA 2.500 . 3.000 2.784 2.771 2.801 . 0 0 "[ . 1 .]" 1
367 1 136 ALA H 1 137 ILE H 2.500 . 3.000 2.921 2.806 2.996 . 0 0 "[ . 1 .]" 1
368 1 136 ALA H 1 138 SER H 4.000 3.500 4.500 4.304 4.172 4.402 . 0 0 "[ . 1 .]" 1
369 1 136 ALA HA 1 137 ILE H 3.000 2.500 3.500 3.596 3.563 3.619 0.119 6 0 "[ . 1 .]" 1
370 1 136 ALA HA 1 139 GLN H 3.000 2.500 3.500 3.185 3.059 3.332 . 0 0 "[ . 1 .]" 1
371 1 136 ALA MB 1 140 THR H 5.000 4.500 5.500 4.774 4.689 4.901 . 0 0 "[ . 1 .]" 1
372 1 136 ALA MB 1 152 TYR QD 3.500 . 4.000 3.147 2.215 4.104 0.104 14 0 "[ . 1 .]" 1
373 1 137 ILE H 1 137 ILE HA 2.500 . 3.000 2.829 2.816 2.843 . 0 0 "[ . 1 .]" 1
374 1 137 ILE H 1 138 SER H 2.500 . 3.000 2.651 2.599 2.716 . 0 0 "[ . 1 .]" 1
375 1 137 ILE H 1 139 GLN H 4.300 3.800 4.800 4.101 3.971 4.204 . 0 0 "[ . 1 .]" 1
376 1 138 SER H 1 138 SER HA 2.500 . 3.000 2.817 2.809 2.824 . 0 0 "[ . 1 .]" 1
377 1 138 SER H 1 139 GLN H 2.500 . 3.000 2.656 2.591 2.735 . 0 0 "[ . 1 .]" 1
378 1 138 SER H 1 140 THR H 4.000 3.500 4.500 4.323 4.200 4.432 . 0 0 "[ . 1 .]" 1
379 1 139 GLN H 1 139 GLN HA 2.500 . 3.000 2.793 2.779 2.804 . 0 0 "[ . 1 .]" 1
380 1 139 GLN H 1 140 THR H 2.500 . 3.000 2.791 2.690 2.868 . 0 0 "[ . 1 .]" 1
381 1 139 GLN QE 1 148 VAL MG1 3.500 . 4.000 3.231 1.713 4.077 0.077 3 0 "[ . 1 .]" 1
382 1 139 GLN QE 1 148 VAL MG2 3.500 . 4.000 3.082 1.762 4.047 0.047 12 0 "[ . 1 .]" 1
383 1 140 THR H 1 140 THR HA 2.500 . 3.000 2.804 2.782 2.813 . 0 0 "[ . 1 .]" 1
384 1 140 THR H 1 141 LEU H 2.800 2.300 3.300 2.759 2.678 2.979 . 0 0 "[ . 1 .]" 1
385 1 145 ASN QD 1 148 VAL QG 3.000 2.500 3.500 2.880 2.436 3.488 0.064 11 0 "[ . 1 .]" 1
386 1 146 PRO HA 1 147 LEU H 3.300 2.800 3.800 3.550 3.363 3.608 . 0 0 "[ . 1 .]" 1
387 1 147 LEU H 1 147 LEU HA 2.500 . 3.000 2.802 2.759 2.841 . 0 0 "[ . 1 .]" 1
388 1 147 LEU H 1 148 VAL H 2.500 . 3.000 2.834 2.718 2.973 . 0 0 "[ . 1 .]" 1
389 1 147 LEU H 1 149 MET H 3.800 3.500 4.300 4.233 4.051 4.397 0.097 4 0 "[ . 1 .]" 1
390 1 147 LEU H 1 150 LEU H 4.200 3.700 4.500 4.565 4.437 4.723 0.223 8 0 "[ . 1 .]" 1
391 1 147 LEU HA 1 148 VAL H 3.500 3.000 4.000 3.565 3.544 3.600 . 0 0 "[ . 1 .]" 1
392 1 147 LEU HA 1 150 LEU H 3.300 2.800 3.800 3.530 3.244 3.690 . 0 0 "[ . 1 .]" 1
393 1 148 VAL H 1 148 VAL HA 2.500 . 3.000 2.835 2.798 2.848 . 0 0 "[ . 1 .]" 1
394 1 148 VAL H 1 149 MET H 2.500 . 3.000 2.621 2.523 2.789 . 0 0 "[ . 1 .]" 1
395 1 148 VAL H 1 150 LEU H 4.000 4.000 4.500 4.083 3.998 4.170 0.002 11 0 "[ . 1 .]" 1
396 1 148 VAL H 1 151 SER H 3.800 3.300 4.300 4.586 4.479 4.720 0.420 1 0 "[ . 1 .]" 1
397 1 148 VAL HA 1 151 SER H 3.300 2.800 3.800 3.581 3.480 3.695 . 0 0 "[ . 1 .]" 1
398 1 148 VAL HA 1 191 ALA MB 3.500 . 4.000 4.231 4.098 4.329 0.329 2 0 "[ . 1 .]" 1
399 1 148 VAL HB 1 149 MET H 3.000 2.500 3.500 3.496 2.799 3.850 0.350 14 0 "[ . 1 .]" 1
400 1 148 VAL MG2 1 152 TYR QD 3.000 2.500 3.500 3.481 2.967 3.845 0.345 1 0 "[ . 1 .]" 1
401 1 148 VAL MG2 1 191 ALA MB 4.500 2.500 5.000 3.606 2.424 5.061 0.076 5 0 "[ . 1 .]" 1
402 1 149 MET H 1 149 MET HA 2.500 . 3.000 2.825 2.794 2.847 . 0 0 "[ . 1 .]" 1
403 1 149 MET H 1 150 LEU H 2.500 . 3.000 2.678 2.623 2.769 . 0 0 "[ . 1 .]" 1
404 1 149 MET HA 1 150 LEU H 3.000 2.500 3.500 3.549 3.535 3.567 0.067 1 0 "[ . 1 .]" 1
405 1 150 LEU H 1 150 LEU HA 2.500 . 3.000 2.828 2.812 2.843 . 0 0 "[ . 1 .]" 1
406 1 150 LEU H 1 151 SER H 2.500 . 3.000 2.669 2.633 2.715 . 0 0 "[ . 1 .]" 1
407 1 150 LEU HA 1 153 GLY H 3.200 2.700 3.700 3.585 3.421 3.771 0.071 8 0 "[ . 1 .]" 1
408 1 151 SER H 1 151 SER HA 2.500 . 3.000 2.846 2.833 2.865 . 0 0 "[ . 1 .]" 1
409 1 151 SER H 1 152 TYR H 2.500 . 3.000 2.657 2.537 2.726 . 0 0 "[ . 1 .]" 1
410 1 151 SER H 1 153 GLY H 4.000 3.500 4.500 4.079 3.918 4.213 . 0 0 "[ . 1 .]" 1
411 1 152 TYR H 1 152 TYR HA 2.500 . 3.000 2.802 2.786 2.832 . 0 0 "[ . 1 .]" 1
412 1 152 TYR H 1 152 TYR QB 2.200 . 2.700 2.188 2.004 2.432 . 0 0 "[ . 1 .]" 1
413 1 152 TYR H 1 153 GLY H 2.500 . 3.000 2.649 2.583 2.701 . 0 0 "[ . 1 .]" 1
414 1 152 TYR H 1 187 LEU QD 4.000 . 4.500 3.680 3.066 4.126 . 0 0 "[ . 1 .]" 1
415 1 152 TYR HA 1 155 GLY H 3.300 2.800 3.800 3.923 3.648 4.120 0.320 8 0 "[ . 1 .]" 1
416 1 153 GLY H 1 153 GLY HA2 2.500 . 3.000 2.757 2.726 2.791 . 0 0 "[ . 1 .]" 1
417 1 153 GLY H 1 154 LEU H 2.500 . 3.000 3.025 2.951 3.138 0.138 1 0 "[ . 1 .]" 1
418 1 154 LEU HA 1 155 GLY H 3.000 2.500 3.500 3.578 3.548 3.632 0.132 2 0 "[ . 1 .]" 1
419 1 155 GLY H 1 156 MET H 2.500 . 3.000 2.585 2.521 2.712 . 0 0 "[ . 1 .]" 1
420 1 155 GLY H 1 157 ALA H 4.000 3.500 4.500 4.358 4.209 4.503 0.003 15 0 "[ . 1 .]" 1
421 1 155 GLY QA 1 183 GLY H 4.200 2.500 4.700 4.972 4.819 5.064 0.364 15 0 "[ . 1 .]" 1
422 1 155 GLY QA 1 184 ALA H 4.000 . 4.500 4.331 3.842 4.811 0.311 6 0 "[ . 1 .]" 1
423 1 156 MET H 1 157 ALA H 2.500 . 3.000 2.852 2.742 2.974 . 0 0 "[ . 1 .]" 1
424 1 156 MET H 1 158 VAL H 4.000 3.500 4.500 4.661 4.544 4.852 0.352 6 0 "[ . 1 .]" 1
425 1 156 MET HA 1 157 ALA H 3.000 2.500 3.500 3.574 3.534 3.609 0.109 13 0 "[ . 1 .]" 1
426 1 157 ALA H 1 157 ALA HA 2.500 . 3.000 2.788 2.742 2.824 . 0 0 "[ . 1 .]" 1
427 1 157 ALA H 1 158 VAL H 2.500 . 3.000 2.913 2.751 3.034 0.034 8 0 "[ . 1 .]" 1
428 1 157 ALA H 1 159 THR H 4.000 3.500 4.500 4.404 4.142 4.615 0.115 8 0 "[ . 1 .]" 1
429 1 157 ALA HA 1 158 VAL H 3.000 2.500 3.500 3.582 3.543 3.616 0.116 2 0 "[ . 1 .]" 1
430 1 158 VAL H 1 158 VAL HA 2.500 . 3.000 2.843 2.824 2.859 . 0 0 "[ . 1 .]" 1
431 1 158 VAL H 1 159 THR H 2.500 . 3.000 2.682 2.585 2.787 . 0 0 "[ . 1 .]" 1
432 1 158 VAL HA 1 159 THR H 3.000 2.500 3.500 3.528 3.485 3.561 0.061 15 0 "[ . 1 .]" 1
433 1 158 VAL HA 1 161 ALA H 3.500 3.000 4.000 4.097 3.926 4.233 0.233 2 0 "[ . 1 .]" 1
434 1 159 THR H 1 159 THR HA 2.500 . 3.000 2.806 2.789 2.819 . 0 0 "[ . 1 .]" 1
435 1 159 THR H 1 161 ALA H 4.000 3.500 4.500 4.370 4.250 4.506 0.006 8 0 "[ . 1 .]" 1
436 1 159 THR HA 1 160 ILE H 3.000 2.500 3.500 3.502 3.467 3.553 0.053 13 0 "[ . 1 .]" 1
437 1 159 THR HA 1 162 ALA H 3.000 2.500 3.500 3.768 3.569 3.897 0.397 7 0 "[ . 1 .]" 1
438 1 159 THR MG 1 180 LYS QB 3.500 . 4.000 3.045 1.928 4.073 0.073 10 0 "[ . 1 .]" 1
439 1 160 ILE H 1 160 ILE HA 2.500 . 3.000 2.793 2.752 2.822 . 0 0 "[ . 1 .]" 1
440 1 160 ILE H 1 161 ALA H 2.500 . 3.000 2.800 2.691 2.996 . 0 0 "[ . 1 .]" 1
441 1 160 ILE H 1 162 ALA H 4.000 3.500 4.500 4.480 4.312 4.732 0.232 14 0 "[ . 1 .]" 1
442 1 160 ILE H 1 180 LYS QB 4.000 . 4.500 4.989 4.722 5.367 0.867 8 6 "[ * *+ 1-* *]" 1
443 1 160 ILE HA 1 161 ALA H 3.000 2.500 3.500 3.537 3.514 3.563 0.063 8 0 "[ . 1 .]" 1
444 1 160 ILE HA 1 163 VAL H 3.200 2.700 3.700 3.484 2.819 3.864 0.164 7 0 "[ . 1 .]" 1
445 1 160 ILE MG 1 164 PHE QB 4.000 3.500 4.500 4.139 3.245 4.875 0.375 15 0 "[ . 1 .]" 1
446 1 160 ILE MG 1 180 LYS QE 4.500 2.500 5.000 5.515 5.018 5.722 0.722 12 10 "[* *-* * ***+* .]" 1
447 1 161 ALA H 1 161 ALA HA 2.500 . 3.000 2.808 2.770 2.837 . 0 0 "[ . 1 .]" 1
448 1 161 ALA H 1 162 ALA H 2.500 . 3.000 2.791 2.659 2.956 . 0 0 "[ . 1 .]" 1
449 1 161 ALA HA 1 164 PHE H 3.000 2.500 3.500 3.673 3.579 3.747 0.247 8 0 "[ . 1 .]" 1
450 1 162 ALA H 1 162 ALA HA 2.500 . 3.000 2.840 2.828 2.856 . 0 0 "[ . 1 .]" 1
451 1 162 ALA H 1 163 VAL H 2.500 . 3.000 2.715 2.600 2.775 . 0 0 "[ . 1 .]" 1
452 1 162 ALA HA 1 163 VAL H 3.000 2.500 3.500 3.554 3.528 3.585 0.085 2 0 "[ . 1 .]" 1
453 1 162 ALA HA 1 171 VAL MG1 4.500 2.500 5.000 4.786 3.903 5.220 0.220 12 0 "[ . 1 .]" 1
454 1 163 VAL H 1 163 VAL HA 2.500 . 3.000 2.818 2.797 2.832 . 0 0 "[ . 1 .]" 1
455 1 163 VAL H 1 164 PHE H 2.500 . 3.000 2.733 2.674 2.826 . 0 0 "[ . 1 .]" 1
456 1 163 VAL HA 1 164 PHE H 3.000 2.500 3.500 3.538 3.515 3.579 0.079 8 0 "[ . 1 .]" 1
457 1 163 VAL HA 1 166 MET H 3.000 2.500 3.500 3.311 2.930 3.542 0.042 11 0 "[ . 1 .]" 1
458 1 163 VAL MG2 1 164 PHE QD 4.000 3.500 4.500 4.674 4.577 4.827 0.327 8 0 "[ . 1 .]" 1
459 1 163 VAL MG2 1 170 PHE QD 4.000 . 4.500 4.657 4.508 4.862 0.362 3 0 "[ . 1 .]" 1
460 1 164 PHE H 1 164 PHE HA 2.500 . 3.000 2.787 2.772 2.805 . 0 0 "[ . 1 .]" 1
461 1 164 PHE H 1 165 LYS H 2.500 . 3.000 2.730 2.624 2.854 . 0 0 "[ . 1 .]" 1
462 1 164 PHE HA 1 167 GLY H 3.300 2.800 3.800 3.663 3.496 3.814 0.014 10 0 "[ . 1 .]" 1
463 1 165 LYS H 1 165 LYS HA 2.500 . 3.000 2.790 2.779 2.816 . 0 0 "[ . 1 .]" 1
464 1 165 LYS H 1 166 MET H 2.500 . 3.000 2.743 2.642 2.835 . 0 0 "[ . 1 .]" 1
465 1 166 MET H 1 166 MET HA 2.500 . 3.000 2.770 2.748 2.782 . 0 0 "[ . 1 .]" 1
466 1 166 MET H 1 167 GLY H 2.500 . 3.000 2.897 2.797 2.955 . 0 0 "[ . 1 .]" 1
467 1 166 MET H 1 170 PHE QE 3.500 3.000 4.000 4.115 3.805 4.321 0.321 3 0 "[ . 1 .]" 1
468 1 166 MET HA 1 167 GLY H 3.000 2.500 3.500 3.552 3.518 3.582 0.082 9 0 "[ . 1 .]" 1
469 1 167 GLY H 1 167 GLY HA2 2.500 . 3.000 2.708 2.638 2.760 . 0 0 "[ . 1 .]" 1
470 1 167 GLY H 1 168 GLU H 2.800 2.300 3.300 2.933 2.764 3.081 . 0 0 "[ . 1 .]" 1
471 1 170 PHE QD 1 177 LEU QD 3.500 . 4.000 3.463 2.835 4.222 0.222 14 0 "[ . 1 .]" 1
472 1 172 LYS H 1 173 ALA H 2.500 . 3.000 2.924 2.461 3.174 0.174 3 0 "[ . 1 .]" 1
473 1 173 ALA H 1 174 ASN H 2.500 . 3.000 1.954 1.735 2.274 0.265 13 0 "[ . 1 .]" 1
474 1 173 ALA H 1 175 PHE H 4.500 4.000 5.000 5.350 5.043 5.611 0.611 2 3 "[ + . 1 * -]" 1
475 1 174 ASN H 1 175 PHE H 2.500 . 3.000 3.928 3.398 4.310 1.310 10 14 "[***** -**+*****]" 1
476 1 174 ASN QD 1 177 LEU QD 4.000 3.500 4.500 4.127 3.385 4.772 0.272 14 0 "[ . 1 .]" 1
477 1 175 PHE H 1 175 PHE HA 2.500 . 3.000 2.794 2.762 2.815 . 0 0 "[ . 1 .]" 1
478 1 175 PHE H 1 175 PHE HB2 2.400 . 2.900 2.675 2.047 3.506 0.606 8 2 "[ . +-1 .]" 1
479 1 175 PHE H 1 175 PHE HB3 2.400 . 2.900 2.549 2.100 3.343 0.443 2 0 "[ . 1 .]" 1
480 1 175 PHE H 1 176 GLN H 2.500 . 3.000 2.762 2.660 2.965 . 0 0 "[ . 1 .]" 1
481 1 175 PHE H 1 177 LEU H 4.000 3.500 4.500 4.287 4.090 4.427 . 0 0 "[ . 1 .]" 1
482 1 175 PHE HA 1 176 GLN H 3.000 2.500 3.500 3.531 3.513 3.585 0.085 3 0 "[ . 1 .]" 1
483 1 175 PHE HA 1 178 ILE H 3.000 2.500 3.500 3.549 3.339 3.792 0.292 1 0 "[ . 1 .]" 1
484 1 175 PHE QD 1 178 ILE H 4.000 3.500 4.500 4.654 4.435 4.974 0.474 9 0 "[ . 1 .]" 1
485 1 176 GLN H 1 176 GLN HA 2.500 . 3.000 2.801 2.786 2.821 . 0 0 "[ . 1 .]" 1
486 1 176 GLN H 1 177 LEU H 2.500 . 3.000 2.706 2.625 2.772 . 0 0 "[ . 1 .]" 1
487 1 176 GLN H 1 178 ILE H 4.300 3.800 4.800 4.378 4.096 4.552 . 0 0 "[ . 1 .]" 1
488 1 177 LEU H 1 179 ARG H 3.500 3.000 4.000 4.309 4.182 4.435 0.435 1 0 "[ . 1 .]" 1
489 1 177 LEU HA 1 178 ILE H 3.000 2.500 3.500 3.549 3.484 3.596 0.096 9 0 "[ . 1 .]" 1
490 1 177 LEU HA 1 180 LYS H 3.000 2.500 3.500 3.386 3.096 3.644 0.144 11 0 "[ . 1 .]" 1
491 1 178 ILE H 1 178 ILE HA 2.500 . 3.000 2.807 2.794 2.851 . 0 0 "[ . 1 .]" 1
492 1 178 ILE H 1 179 ARG H 3.000 2.500 3.500 2.715 2.611 2.790 . 0 0 "[ . 1 .]" 1
493 1 178 ILE H 1 180 LYS H 4.000 3.500 4.500 4.340 4.221 4.499 . 0 0 "[ . 1 .]" 1
494 1 178 ILE HA 1 181 VAL H 3.000 2.500 3.500 3.583 3.337 3.695 0.195 7 0 "[ . 1 .]" 1
495 1 179 ARG H 1 179 ARG HA 2.500 . 3.000 2.812 2.788 2.837 . 0 0 "[ . 1 .]" 1
496 1 179 ARG H 1 180 LYS H 2.500 2.300 3.000 2.780 2.677 2.865 . 0 0 "[ . 1 .]" 1
497 1 179 ARG H 1 181 VAL H 3.800 3.300 4.300 4.399 4.224 4.500 0.200 13 0 "[ . 1 .]" 1
498 1 179 ARG HA 1 182 THR H 3.000 2.500 3.500 3.684 3.485 3.900 0.400 3 0 "[ . 1 .]" 1
499 1 180 LYS H 1 180 LYS HA 2.500 . 3.000 2.795 2.779 2.812 . 0 0 "[ . 1 .]" 1
500 1 180 LYS H 1 181 VAL H 2.500 . 3.000 2.810 2.681 2.899 . 0 0 "[ . 1 .]" 1
501 1 180 LYS HA 1 181 VAL H 3.000 2.500 3.500 3.555 3.507 3.590 0.090 3 0 "[ . 1 .]" 1
502 1 180 LYS HA 1 183 GLY H 3.000 2.500 3.500 3.591 3.473 3.697 0.197 15 0 "[ . 1 .]" 1
503 1 181 VAL H 1 182 THR H 2.500 . 3.000 2.852 2.776 2.923 . 0 0 "[ . 1 .]" 1
504 1 181 VAL HA 1 182 THR H 3.000 2.500 3.500 3.568 3.525 3.605 0.105 2 0 "[ . 1 .]" 1
505 1 181 VAL HA 1 184 ALA H 3.200 2.700 3.700 3.744 3.514 3.920 0.220 15 0 "[ . 1 .]" 1
506 1 182 THR H 1 182 THR HA 2.500 . 3.000 2.818 2.797 2.839 . 0 0 "[ . 1 .]" 1
507 1 182 THR H 1 183 GLY H 2.500 . 3.000 2.849 2.798 2.932 . 0 0 "[ . 1 .]" 1
508 1 182 THR H 1 184 ALA H 4.000 3.500 4.500 4.525 4.401 4.717 0.217 15 0 "[ . 1 .]" 1
509 1 182 THR HA 1 185 ILE MG 3.500 3.000 4.000 3.346 2.349 4.193 0.651 4 1 "[ +. 1 .]" 1
510 1 182 THR HA 1 186 VAL H 3.500 3.000 4.000 4.250 4.145 4.423 0.423 4 0 "[ . 1 .]" 1
511 1 183 GLY H 1 183 GLY QA 2.500 . 3.000 2.203 2.189 2.216 . 0 0 "[ . 1 .]" 1
512 1 183 GLY H 1 184 ALA H 2.800 2.300 3.000 2.861 2.767 3.002 0.002 7 0 "[ . 1 .]" 1
513 1 183 GLY QA 1 186 VAL H 2.500 . 3.000 3.440 3.300 3.609 0.609 15 3 "[ *. - +]" 1
514 1 184 ALA H 1 184 ALA HA 2.500 . 3.000 2.808 2.793 2.838 . 0 0 "[ . 1 .]" 1
515 1 184 ALA H 1 184 ALA MB 2.000 . 2.500 2.201 2.145 2.235 . 0 0 "[ . 1 .]" 1
516 1 184 ALA H 1 185 ILE H 2.800 2.300 3.300 2.679 2.631 2.776 . 0 0 "[ . 1 .]" 1
517 1 184 ALA H 1 186 VAL H 4.000 3.500 4.500 4.442 4.270 4.590 0.090 15 0 "[ . 1 .]" 1
518 1 184 ALA MB 1 188 LEU H 5.000 4.500 5.500 4.957 4.699 5.415 . 0 0 "[ . 1 .]" 1
519 1 185 ILE H 1 186 VAL H 2.500 . 3.000 2.925 2.814 3.005 0.005 7 0 "[ . 1 .]" 1
520 1 185 ILE HA 1 188 LEU MD1 3.700 3.200 4.200 4.195 3.794 4.404 0.204 9 0 "[ . 1 .]" 1
521 1 185 ILE MD 1 188 LEU QD 3.500 3.000 4.000 4.045 3.550 4.595 0.595 11 2 "[ . 1+ -]" 1
522 1 187 LEU HA 1 188 LEU H 3.000 2.500 3.500 3.541 3.500 3.589 0.089 14 0 "[ . 1 .]" 1
523 1 187 LEU HA 1 190 LEU H 3.000 2.500 3.500 3.675 3.526 3.755 0.255 15 0 "[ . 1 .]" 1
524 1 188 LEU H 1 188 LEU HA 2.500 . 3.000 2.770 2.746 2.808 . 0 0 "[ . 1 .]" 1
525 1 188 LEU HA 1 191 ALA H 3.000 2.500 3.500 3.457 3.310 3.574 0.074 14 0 "[ . 1 .]" 1
526 1 189 TYR H 1 190 LEU H 2.500 . 3.000 2.717 2.645 2.757 . 0 0 "[ . 1 .]" 1
527 1 189 TYR HA 1 192 TYR H 3.000 2.500 3.500 3.636 3.418 3.770 0.270 15 0 "[ . 1 .]" 1
528 1 190 LEU H 1 190 LEU HA 2.500 . 3.000 2.820 2.808 2.833 . 0 0 "[ . 1 .]" 1
529 1 190 LEU HA 1 191 ALA H 3.000 2.500 3.500 3.541 3.527 3.560 0.060 10 0 "[ . 1 .]" 1
530 1 190 LEU HA 1 193 PHE H 3.000 2.500 3.500 3.592 3.546 3.633 0.133 2 0 "[ . 1 .]" 1
531 1 190 LEU QD 1 193 PHE H 5.000 4.500 5.500 4.594 4.441 4.911 0.059 6 0 "[ . 1 .]" 1
532 1 191 ALA H 1 191 ALA HA 2.500 . 3.000 2.812 2.804 2.821 . 0 0 "[ . 1 .]" 1
533 1 191 ALA H 1 192 TYR H 2.500 . 3.000 2.791 2.701 2.861 . 0 0 "[ . 1 .]" 1
534 1 191 ALA HA 1 192 TYR H 3.300 2.800 3.800 3.576 3.544 3.602 . 0 0 "[ . 1 .]" 1
535 1 192 TYR H 1 192 TYR HA 2.500 . 3.000 2.822 2.808 2.834 . 0 0 "[ . 1 .]" 1
536 1 192 TYR H 1 193 PHE H 3.000 2.500 3.000 2.670 2.631 2.700 . 0 0 "[ . 1 .]" 1
537 1 192 TYR HA 1 193 PHE H 3.000 2.500 3.500 3.522 3.502 3.544 0.044 9 0 "[ . 1 .]" 1
538 1 192 TYR QE 1 198 VAL QG 3.500 . 4.500 3.808 2.555 4.553 0.053 10 0 "[ . 1 .]" 1
539 1 193 PHE H 1 193 PHE HA 2.500 . 3.000 2.813 2.793 2.828 . 0 0 "[ . 1 .]" 1
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