NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452413 |
2v31   |
7053 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2v31
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 1302
_Distance_constraint_stats_list.Viol_count 1772
_Distance_constraint_stats_list.Viol_total 7862.597
_Distance_constraint_stats_list.Viol_max 1.611
_Distance_constraint_stats_list.Viol_rms 0.0916
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0151
_Distance_constraint_stats_list.Viol_average_violations_only 0.2219
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 MET 0.064 0.064 19 0 "[ . 1 . 2]"
1 7 VAL 0.064 0.064 19 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PRO 3.041 0.773 19 4 "[ .* 1* -. +2]"
1 17 LEU 20.925 1.350 11 13 "[ *- .* **+***. ****]"
1 18 SER 7.683 0.679 17 3 "[ . - * . + 2]"
1 19 ALA 12.326 1.206 14 4 "[* . - 1 +.* 2]"
1 20 MET 8.101 0.520 8 1 "[ . + 1 . 2]"
1 21 VAL 37.590 1.230 5 20 [-***+***************]
1 22 SER 4.142 0.305 5 0 "[ . 1 . 2]"
1 23 MET 14.686 1.001 11 15 "[** **** *1+ ******-2]"
1 24 VAL 16.342 1.235 11 16 "[** **-** *+******* 2]"
1 25 THR 1.317 0.331 13 0 "[ . 1 . 2]"
1 26 LYS 25.963 1.398 19 14 "[* *** ***1*** * *+-]"
1 27 ASP 5.436 0.314 20 0 "[ . 1 . 2]"
1 28 ASN 0.631 0.535 5 1 "[ + 1 . 2]"
1 29 PRO 3.010 0.290 9 0 "[ . 1 . 2]"
1 30 GLY 1.566 0.535 5 1 "[ + 1 . 2]"
1 31 VAL 1.797 0.331 13 0 "[ . 1 . 2]"
1 32 VAL 6.948 0.590 1 1 "[+ . 1 . 2]"
1 33 THR 2.176 0.307 19 0 "[ . 1 . 2]"
1 34 CYS 6.190 0.305 5 0 "[ . 1 . 2]"
1 35 LEU 11.869 0.443 11 0 "[ . 1 . 2]"
1 36 ASP 5.012 0.443 11 0 "[ . 1 . 2]"
1 37 GLU 2.882 0.815 12 3 "[* . 1 + . - 2]"
1 38 ALA 0.699 0.322 14 0 "[ . 1 . 2]"
1 39 ARG 0.124 0.124 14 0 "[ . 1 . 2]"
1 40 HIS 7.146 1.206 14 3 "[ . - 1 +.* 2]"
1 41 GLY 7.200 1.077 14 5 "[ * . * 1 * +.* 2]"
1 42 PHE 20.553 1.350 11 15 "[*** .*****+**-.* * *]"
1 43 GLU 2.281 0.347 11 0 "[ . 1 . 2]"
1 44 THR 19.111 1.611 17 9 "[ **. * **- *.*+ 2]"
1 45 GLY 3.082 0.556 7 1 "[ . + 1 . 2]"
1 46 ASP 7.375 0.321 17 0 "[ . 1 . 2]"
1 47 PHE 5.378 0.419 20 0 "[ . 1 . 2]"
1 48 VAL 11.485 0.708 2 3 "[ + . 1 * - 2]"
1 49 SER 2.910 0.349 19 0 "[ . 1 . 2]"
1 50 PHE 18.973 0.820 17 15 "[*** * * 1******+-**]"
1 51 SER 17.791 0.954 7 20 [******+*****-*******]
1 52 GLU 16.175 1.174 9 5 "[ - .* +1* . * 2]"
1 53 VAL 8.540 0.440 1 0 "[ . 1 . 2]"
1 54 GLN 3.843 0.365 8 0 "[ . 1 . 2]"
1 55 GLY 6.241 0.326 5 0 "[ . 1 . 2]"
1 56 MET 44.366 1.492 15 20 [******-*******+*****]
1 57 ILE 6.104 1.166 19 5 "[ * *.- 1 * . +2]"
1 58 GLN 25.394 1.166 19 16 "[****.-********* +*]"
1 59 LEU 2.362 0.465 13 0 "[ . 1 . 2]"
1 60 ASN 0.445 0.187 6 0 "[ . 1 . 2]"
1 61 GLY 1.452 0.295 17 0 "[ . 1 . 2]"
1 62 CYS 3.423 0.368 19 0 "[ . 1 . 2]"
1 63 GLN 4.974 0.368 19 0 "[ . 1 . 2]"
1 64 PRO 0.955 0.041 11 0 "[ . 1 . 2]"
1 65 MET 0.257 0.162 18 0 "[ . 1 . 2]"
1 66 GLU 1.102 0.556 7 1 "[ . + 1 . 2]"
1 67 ILE 3.201 0.347 11 0 "[ . 1 . 2]"
1 68 LYS 10.064 1.611 17 9 "[ **. * **- *.*+ 2]"
1 69 VAL 15.392 0.937 3 3 "[ + . - * . 2]"
1 70 LEU 14.811 0.322 16 0 "[ . 1 . 2]"
1 71 GLY 1.144 0.063 17 0 "[ . 1 . 2]"
1 72 PRO 0.005 0.004 7 0 "[ . 1 . 2]"
1 73 TYR 0.655 0.304 8 0 "[ . 1 . 2]"
1 74 THR 7.339 0.304 8 0 "[ . 1 . 2]"
1 75 PHE 11.657 0.309 5 0 "[ . 1 . 2]"
1 76 SER 13.786 0.322 16 0 "[ . 1 . 2]"
1 77 ILE 5.002 0.465 13 0 "[ . 1 . 2]"
1 78 CYS 0.574 0.210 8 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 THR 0.231 0.210 8 0 "[ . 1 . 2]"
1 81 SER 25.796 1.492 15 19 "[******- ******+*****]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 PHE 13.955 1.398 19 7 "[ * . *1 * * *+-]"
1 84 SER 0.291 0.124 17 0 "[ . 1 . 2]"
1 85 ASP 10.634 0.850 15 10 "[- ** ** 1*** + * 2]"
1 86 TYR 29.927 1.235 11 18 "[** *******+*******-2]"
1 87 ILE 24.212 0.848 13 12 "[ ***-* *** *+*. *2]"
1 88 ARG 26.216 0.848 13 12 "[ ***-* *** *+*. *2]"
1 89 GLY 2.980 0.240 19 0 "[ . 1 . 2]"
1 90 GLY 10.927 0.456 20 0 "[ . 1 . 2]"
1 91 ILE 41.376 1.230 5 20 [*-**+***************]
1 92 VAL 31.541 0.954 7 20 [******+**********-**]
1 93 SER 4.581 0.524 8 1 "[ . + 1 . 2]"
1 94 GLN 4.724 0.655 13 2 "[ . - 1 + . 2]"
1 95 VAL 10.585 0.820 17 6 "[ * . 1* * - + *2]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 VAL 1.915 0.524 13 1 "[ . 1 + . 2]"
1 98 PRO 1.760 0.524 13 1 "[ . 1 + . 2]"
1 99 LYS 0.181 0.181 14 0 "[ . 1 . 2]"
1 100 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 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 1 GLU HA 1 2 PHE H 3.500 . 3.800 2.723 2.146 3.573 . 0 0 "[ . 1 . 2]" 1
2 1 2 PHE H 1 2 PHE QB 3.500 . 3.800 2.628 2.177 3.335 . 0 0 "[ . 1 . 2]" 1
3 1 2 PHE QB 1 3 GLY H 4.500 . 5.000 3.154 2.024 4.042 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLU QB 1 5 GLU H 4.500 . 5.000 3.163 1.936 3.993 . 0 0 "[ . 1 . 2]" 1
5 1 5 GLU H 1 5 GLU QB 3.500 . 3.800 2.615 2.174 3.255 . 0 0 "[ . 1 . 2]" 1
6 1 5 GLU H 1 6 MET H 4.500 . 5.000 3.388 1.983 4.614 . 0 0 "[ . 1 . 2]" 1
7 1 5 GLU HA 1 6 MET H 3.500 . 3.800 2.756 2.138 3.568 . 0 0 "[ . 1 . 2]" 1
8 1 6 MET H 1 6 MET QB 3.500 . 3.800 2.763 2.162 3.357 . 0 0 "[ . 1 . 2]" 1
9 1 6 MET HA 1 7 VAL H 3.500 . 3.800 2.724 2.140 3.571 . 0 0 "[ . 1 . 2]" 1
10 1 6 MET QB 1 7 VAL H 3.500 . 3.800 2.883 1.991 3.864 0.064 19 0 "[ . 1 . 2]" 1
11 1 7 VAL H 1 7 VAL MG1 4.500 . 5.000 3.057 1.967 4.001 . 0 0 "[ . 1 . 2]" 1
12 1 7 VAL H 1 7 VAL MG2 4.500 . 5.000 3.004 1.970 4.053 . 0 0 "[ . 1 . 2]" 1
13 1 7 VAL H 1 8 LEU H 4.500 . 5.000 3.054 1.957 4.318 . 0 0 "[ . 1 . 2]" 1
14 1 7 VAL H 1 8 LEU QB 4.500 . 5.000 4.331 3.315 4.996 . 0 0 "[ . 1 . 2]" 1
15 1 7 VAL HA 1 8 LEU H 3.500 . 3.800 2.681 2.142 3.558 . 0 0 "[ . 1 . 2]" 1
16 1 7 VAL HB 1 8 LEU H 4.500 . 5.000 4.155 2.402 4.654 . 0 0 "[ . 1 . 2]" 1
17 1 7 VAL QG 1 8 LEU H 4.500 . 5.000 3.020 1.928 3.457 . 0 0 "[ . 1 . 2]" 1
18 1 8 LEU H 1 8 LEU QB 3.500 . 3.800 2.611 2.088 3.231 . 0 0 "[ . 1 . 2]" 1
19 1 8 LEU H 1 8 LEU QD 4.500 . 5.000 3.228 1.936 4.084 . 0 0 "[ . 1 . 2]" 1
20 1 8 LEU H 1 9 THR H 4.500 . 5.000 3.818 2.109 4.593 . 0 0 "[ . 1 . 2]" 1
21 1 8 LEU HA 1 9 THR H 3.500 . 3.800 2.569 2.139 3.570 . 0 0 "[ . 1 . 2]" 1
22 1 8 LEU QB 1 9 THR H 4.500 . 5.000 3.085 1.995 3.993 . 0 0 "[ . 1 . 2]" 1
23 1 9 THR H 1 9 THR MG 4.500 . 5.000 2.969 1.941 3.947 . 0 0 "[ . 1 . 2]" 1
24 1 9 THR H 1 10 ASP H 5.200 . 5.700 3.567 1.998 4.569 . 0 0 "[ . 1 . 2]" 1
25 1 13 GLY QA 1 14 GLU H 3.500 . 3.800 2.246 2.110 2.671 . 0 0 "[ . 1 . 2]" 1
26 1 14 GLU H 1 15 GLN H 4.500 . 5.000 3.892 1.995 4.571 . 0 0 "[ . 1 . 2]" 1
27 1 14 GLU HA 1 15 GLN H 3.500 . 3.800 2.526 2.148 3.554 . 0 0 "[ . 1 . 2]" 1
28 1 14 GLU QB 1 15 GLN H 3.500 . 3.800 3.012 1.957 3.714 . 0 0 "[ . 1 . 2]" 1
29 1 15 GLN H 1 16 PRO QD 4.500 . 5.000 3.258 1.854 4.414 . 0 0 "[ . 1 . 2]" 1
30 1 16 PRO HA 1 17 LEU H 2.500 . 2.800 2.618 2.150 3.573 0.773 19 4 "[ .* 1* -. +2]" 1
31 1 16 PRO HB2 1 17 LEU H 4.500 . 5.000 2.966 1.985 4.308 . 0 0 "[ . 1 . 2]" 1
32 1 16 PRO HB3 1 17 LEU H 4.500 . 5.000 3.380 2.415 4.353 . 0 0 "[ . 1 . 2]" 1
33 1 16 PRO QD 1 17 LEU H 4.500 . 5.000 4.471 2.593 5.006 0.006 9 0 "[ . 1 . 2]" 1
34 1 17 LEU H 1 17 LEU QB 3.500 . 3.800 2.450 2.086 2.909 . 0 0 "[ . 1 . 2]" 1
35 1 17 LEU H 1 17 LEU MD1 4.500 . 5.000 3.876 3.125 4.355 . 0 0 "[ . 1 . 2]" 1
36 1 17 LEU H 1 17 LEU MD2 4.500 . 5.000 4.556 4.139 4.906 . 0 0 "[ . 1 . 2]" 1
37 1 17 LEU H 1 17 LEU HG 4.500 . 5.000 4.567 4.301 4.750 . 0 0 "[ . 1 . 2]" 1
38 1 17 LEU H 1 18 SER H 4.500 . 5.000 4.406 3.866 4.624 . 0 0 "[ . 1 . 2]" 1
39 1 17 LEU H 1 18 SER QB 5.200 . 5.700 5.210 4.247 5.829 0.129 17 0 "[ . 1 . 2]" 1
40 1 17 LEU H 1 42 PHE QE 4.500 . 5.000 4.418 3.452 5.007 0.007 13 0 "[ . 1 . 2]" 1
41 1 17 LEU H 1 42 PHE HZ 5.200 . 5.700 6.068 4.887 7.050 1.350 11 10 "[ ** .- **+ **. * *]" 1
42 1 17 LEU H 1 94 GLN QB 3.500 . 3.800 2.805 1.898 4.455 0.655 13 1 "[ . 1 + . 2]" 1
43 1 17 LEU H 1 94 GLN HG2 5.200 . 5.700 5.105 3.238 6.003 0.303 1 0 "[ . 1 . 2]" 1
44 1 17 LEU H 1 94 GLN QG 4.500 . 5.000 4.443 2.267 5.005 0.005 12 0 "[ . 1 . 2]" 1
45 1 17 LEU H 1 94 GLN HG3 5.200 . 5.700 4.991 2.314 5.781 0.081 15 0 "[ . 1 . 2]" 1
46 1 17 LEU HA 1 18 SER H 2.500 . 2.800 2.372 2.148 2.700 . 0 0 "[ . 1 . 2]" 1
47 1 17 LEU QB 1 18 SER H 4.500 . 5.000 3.100 2.381 3.880 . 0 0 "[ . 1 . 2]" 1
48 1 17 LEU QB 1 41 GLY H 4.500 . 5.000 4.611 3.186 6.077 1.077 14 2 "[ - . 1 +. 2]" 1
49 1 17 LEU QB 1 42 PHE QE 4.500 . 5.000 2.427 1.940 3.969 . 0 0 "[ . 1 . 2]" 1
50 1 17 LEU QB 1 94 GLN QB 4.500 . 5.000 2.999 1.931 3.887 . 0 0 "[ . 1 . 2]" 1
51 1 17 LEU MD1 1 18 SER H 3.500 . 3.800 3.691 2.242 4.479 0.679 17 3 "[ . - * . + 2]" 1
52 1 17 LEU MD1 1 18 SER HA 5.200 . 5.700 5.716 4.530 6.117 0.417 17 0 "[ . 1 . 2]" 1
53 1 17 LEU MD2 1 18 SER H 4.500 . 5.000 3.505 2.112 4.935 . 0 0 "[ . 1 . 2]" 1
54 1 17 LEU MD2 1 41 GLY H 4.500 . 5.000 3.042 2.083 4.883 . 0 0 "[ . 1 . 2]" 1
55 1 17 LEU MD2 1 41 GLY HA2 4.500 . 5.000 2.452 1.861 3.681 . 0 0 "[ . 1 . 2]" 1
56 1 17 LEU MD2 1 41 GLY QA 4.500 . 5.000 2.408 1.845 3.513 . 0 0 "[ . 1 . 2]" 1
57 1 17 LEU MD2 1 41 GLY HA3 4.500 . 5.000 3.669 2.912 4.504 . 0 0 "[ . 1 . 2]" 1
58 1 17 LEU HG 1 18 SER H 3.500 . 3.800 2.543 1.991 3.665 . 0 0 "[ . 1 . 2]" 1
59 1 18 SER H 1 18 SER QB 3.500 . 3.800 3.057 2.631 3.358 . 0 0 "[ . 1 . 2]" 1
60 1 18 SER H 1 19 ALA H 4.500 . 5.000 4.251 3.513 4.475 . 0 0 "[ . 1 . 2]" 1
61 1 18 SER H 1 19 ALA MB 5.200 . 5.700 4.488 4.165 4.990 . 0 0 "[ . 1 . 2]" 1
62 1 18 SER H 1 42 PHE QE 5.200 . 5.700 4.608 3.877 5.147 . 0 0 "[ . 1 . 2]" 1
63 1 18 SER H 1 42 PHE HZ 5.200 . 5.700 4.674 3.625 5.007 . 0 0 "[ . 1 . 2]" 1
64 1 18 SER H 1 93 SER HA 4.500 . 5.000 4.763 4.249 5.002 0.002 16 0 "[ . 1 . 2]" 1
65 1 18 SER HA 1 19 ALA H 3.500 . 3.800 2.298 2.141 2.550 . 0 0 "[ . 1 . 2]" 1
66 1 18 SER HA 1 19 ALA MB 4.500 . 5.000 3.853 3.710 4.080 . 0 0 "[ . 1 . 2]" 1
67 1 18 SER HA 1 42 PHE HZ 4.500 . 5.000 3.265 2.474 4.188 . 0 0 "[ . 1 . 2]" 1
68 1 18 SER HA 1 91 ILE MG 5.200 . 5.700 4.318 3.526 4.815 . 0 0 "[ . 1 . 2]" 1
69 1 18 SER HA 1 92 VAL H 5.200 . 5.700 5.576 4.865 5.977 0.277 6 0 "[ . 1 . 2]" 1
70 1 18 SER HA 1 92 VAL QG 4.500 . 5.000 3.985 3.446 4.454 . 0 0 "[ . 1 . 2]" 1
71 1 18 SER HA 1 93 SER HA 3.500 . 3.800 2.070 1.983 2.293 . 0 0 "[ . 1 . 2]" 1
72 1 18 SER HA 1 93 SER HB2 4.500 . 5.000 4.658 4.030 5.001 0.001 15 0 "[ . 1 . 2]" 1
73 1 18 SER QB 1 19 ALA H 3.500 . 3.800 2.874 2.162 3.670 . 0 0 "[ . 1 . 2]" 1
74 1 18 SER QB 1 91 ILE MG 3.500 . 3.800 3.117 2.460 3.876 0.076 3 0 "[ . 1 . 2]" 1
75 1 18 SER QB 1 92 VAL H 5.200 . 5.700 5.301 4.475 5.952 0.252 20 0 "[ . 1 . 2]" 1
76 1 18 SER QB 1 93 SER HA 4.500 . 5.000 3.073 2.026 3.850 . 0 0 "[ . 1 . 2]" 1
77 1 18 SER QB 1 94 GLN H 4.500 . 5.000 4.123 3.215 5.007 0.007 16 0 "[ . 1 . 2]" 1
78 1 19 ALA H 1 20 MET H 4.500 . 5.000 4.413 4.227 4.557 . 0 0 "[ . 1 . 2]" 1
79 1 19 ALA H 1 21 VAL MG2 5.200 . 5.700 5.534 5.105 5.946 0.246 16 0 "[ . 1 . 2]" 1
80 1 19 ALA H 1 42 PHE HZ 3.500 . 3.800 3.423 1.931 4.350 0.550 1 1 "[+ . 1 . 2]" 1
81 1 19 ALA H 1 91 ILE HA 5.200 . 5.700 5.301 4.916 6.009 0.309 16 0 "[ . 1 . 2]" 1
82 1 19 ALA H 1 91 ILE MG 4.500 . 5.000 3.174 2.802 3.821 . 0 0 "[ . 1 . 2]" 1
83 1 19 ALA H 1 92 VAL HA 5.200 . 5.700 4.902 4.663 5.256 . 0 0 "[ . 1 . 2]" 1
84 1 19 ALA H 1 92 VAL QG 3.500 . 3.800 2.772 2.253 3.232 . 0 0 "[ . 1 . 2]" 1
85 1 19 ALA H 1 93 SER HA 3.500 . 3.800 3.067 2.700 3.584 . 0 0 "[ . 1 . 2]" 1
86 1 19 ALA H 1 94 GLN H 5.200 . 5.700 5.011 4.446 5.324 . 0 0 "[ . 1 . 2]" 1
87 1 19 ALA MB 1 20 MET H 3.500 . 3.800 2.577 2.317 2.853 . 0 0 "[ . 1 . 2]" 1
88 1 19 ALA MB 1 20 MET HA 4.500 . 5.000 4.164 4.007 4.354 . 0 0 "[ . 1 . 2]" 1
89 1 19 ALA MB 1 20 MET HB3 4.500 . 5.000 5.374 5.215 5.520 0.520 8 1 "[ . + 1 . 2]" 1
90 1 19 ALA MB 1 34 CYS HA 5.200 . 5.700 4.325 3.997 5.082 . 0 0 "[ . 1 . 2]" 1
91 1 19 ALA MB 1 34 CYS HB2 4.500 . 5.000 4.450 3.556 4.906 . 0 0 "[ . 1 . 2]" 1
92 1 19 ALA MB 1 40 HIS H 5.200 . 5.700 4.369 2.729 4.962 . 0 0 "[ . 1 . 2]" 1
93 1 19 ALA MB 1 40 HIS HA 3.500 . 3.800 3.449 2.800 5.006 1.206 14 2 "[ . 1 +.- 2]" 1
94 1 19 ALA MB 1 40 HIS QB 4.500 . 5.000 4.057 2.013 5.001 0.001 18 0 "[ . 1 . 2]" 1
95 1 19 ALA MB 1 41 GLY H 4.500 . 5.000 4.514 3.814 5.038 0.038 16 0 "[ . 1 . 2]" 1
96 1 19 ALA MB 1 42 PHE QE 4.500 . 5.000 3.098 1.920 4.002 . 0 0 "[ . 1 . 2]" 1
97 1 19 ALA MB 1 42 PHE HZ 4.500 . 5.000 2.842 1.941 3.832 . 0 0 "[ . 1 . 2]" 1
98 1 19 ALA MB 1 92 VAL H 4.500 . 5.000 3.860 3.620 4.161 . 0 0 "[ . 1 . 2]" 1
99 1 19 ALA MB 1 92 VAL QG 3.500 . 3.800 2.005 1.792 2.499 0.008 5 0 "[ . 1 . 2]" 1
100 1 20 MET H 1 20 MET HB2 3.500 . 3.800 2.331 2.174 2.508 . 0 0 "[ . 1 . 2]" 1
101 1 20 MET H 1 20 MET HB3 3.500 . 3.800 3.560 3.440 3.696 . 0 0 "[ . 1 . 2]" 1
102 1 20 MET H 1 20 MET HG2 4.500 . 5.000 4.150 3.077 4.657 . 0 0 "[ . 1 . 2]" 1
103 1 20 MET H 1 20 MET QG 3.500 . 3.800 3.194 2.528 3.701 . 0 0 "[ . 1 . 2]" 1
104 1 20 MET H 1 20 MET HG3 4.500 . 5.000 3.378 2.558 4.040 . 0 0 "[ . 1 . 2]" 1
105 1 20 MET H 1 21 VAL H 4.500 . 5.000 4.556 4.507 4.611 . 0 0 "[ . 1 . 2]" 1
106 1 20 MET H 1 35 LEU H 4.500 . 5.000 3.588 3.191 4.099 . 0 0 "[ . 1 . 2]" 1
107 1 20 MET H 1 35 LEU HB3 4.500 . 5.000 3.916 3.552 4.443 . 0 0 "[ . 1 . 2]" 1
108 1 20 MET H 1 35 LEU MD1 4.500 . 5.000 4.900 4.458 5.009 0.009 16 0 "[ . 1 . 2]" 1
109 1 20 MET H 1 38 ALA MB 3.500 . 3.800 2.192 1.900 2.570 . 0 0 "[ . 1 . 2]" 1
110 1 20 MET H 1 92 VAL QG 4.500 . 5.000 3.929 3.443 4.598 . 0 0 "[ . 1 . 2]" 1
111 1 20 MET HA 1 21 VAL H 3.500 . 3.800 2.311 2.226 2.451 . 0 0 "[ . 1 . 2]" 1
112 1 20 MET HA 1 21 VAL HB 4.500 . 5.000 4.703 4.607 4.765 . 0 0 "[ . 1 . 2]" 1
113 1 20 MET HA 1 21 VAL MG2 4.500 . 5.000 3.422 3.258 3.586 . 0 0 "[ . 1 . 2]" 1
114 1 20 MET HA 1 35 LEU HB3 5.200 . 5.700 5.547 5.180 5.991 0.291 14 0 "[ . 1 . 2]" 1
115 1 20 MET HA 1 91 ILE MD 4.500 . 5.000 4.202 2.266 4.941 . 0 0 "[ . 1 . 2]" 1
116 1 20 MET HA 1 92 VAL H 4.500 . 5.000 3.087 2.649 3.583 . 0 0 "[ . 1 . 2]" 1
117 1 20 MET HB2 1 35 LEU H 4.500 . 5.000 3.484 3.087 3.790 . 0 0 "[ . 1 . 2]" 1
118 1 20 MET HB2 1 35 LEU HB2 4.500 . 5.000 2.166 1.980 2.645 . 0 0 "[ . 1 . 2]" 1
119 1 20 MET HB3 1 21 VAL H 4.500 . 5.000 2.719 2.410 3.015 . 0 0 "[ . 1 . 2]" 1
120 1 20 MET HB3 1 22 SER H 5.200 . 5.700 5.467 5.128 5.843 0.143 15 0 "[ . 1 . 2]" 1
121 1 20 MET HB3 1 35 LEU H 4.500 . 5.000 4.073 3.552 4.753 . 0 0 "[ . 1 . 2]" 1
122 1 20 MET HB3 1 35 LEU HB2 4.500 . 5.000 2.517 2.212 3.088 . 0 0 "[ . 1 . 2]" 1
123 1 20 MET HB3 1 35 LEU HB3 4.500 . 5.000 3.880 3.605 4.287 . 0 0 "[ . 1 . 2]" 1
124 1 20 MET HB3 1 38 ALA MB 4.500 . 5.000 3.932 3.338 4.506 . 0 0 "[ . 1 . 2]" 1
125 1 20 MET QG 1 21 VAL H 4.500 . 5.000 3.597 3.146 4.231 . 0 0 "[ . 1 . 2]" 1
126 1 20 MET HG2 1 35 LEU MD1 4.500 . 5.000 3.880 2.525 4.781 . 0 0 "[ . 1 . 2]" 1
127 1 20 MET HG3 1 35 LEU MD1 4.500 . 5.000 4.356 3.533 4.898 . 0 0 "[ . 1 . 2]" 1
128 1 21 VAL H 1 21 VAL HB 3.500 . 3.800 2.585 2.495 2.681 . 0 0 "[ . 1 . 2]" 1
129 1 21 VAL H 1 21 VAL MG2 3.500 . 3.800 2.569 2.424 2.822 . 0 0 "[ . 1 . 2]" 1
130 1 21 VAL H 1 35 LEU HB3 5.200 . 5.700 5.969 5.742 6.019 0.319 14 0 "[ . 1 . 2]" 1
131 1 21 VAL H 1 91 ILE HA 3.500 . 3.800 2.819 2.586 3.065 . 0 0 "[ . 1 . 2]" 1
132 1 21 VAL H 1 91 ILE HB 5.200 . 5.700 5.645 5.307 5.952 0.252 18 0 "[ . 1 . 2]" 1
133 1 21 VAL H 1 91 ILE MD 5.200 . 5.700 4.567 2.847 5.014 . 0 0 "[ . 1 . 2]" 1
134 1 21 VAL H 1 91 ILE MG 4.500 . 5.000 4.009 3.702 4.405 . 0 0 "[ . 1 . 2]" 1
135 1 21 VAL H 1 92 VAL H 4.500 . 5.000 3.947 3.652 4.130 . 0 0 "[ . 1 . 2]" 1
136 1 21 VAL HA 1 21 VAL MG1 3.500 . 3.800 2.293 2.233 2.369 . 0 0 "[ . 1 . 2]" 1
137 1 21 VAL HA 1 21 VAL MG2 3.500 . 3.800 2.408 2.268 2.493 . 0 0 "[ . 1 . 2]" 1
138 1 21 VAL HA 1 22 SER H 3.500 . 3.800 2.185 2.145 2.238 . 0 0 "[ . 1 . 2]" 1
139 1 21 VAL HA 1 23 MET H 4.500 . 5.000 3.876 3.708 4.072 . 0 0 "[ . 1 . 2]" 1
140 1 21 VAL HA 1 33 THR H 5.200 . 5.700 5.011 4.794 5.407 . 0 0 "[ . 1 . 2]" 1
141 1 21 VAL HA 1 34 CYS H 5.200 . 5.700 5.316 4.701 5.765 0.065 1 0 "[ . 1 . 2]" 1
142 1 21 VAL HA 1 34 CYS HA 3.500 . 3.800 2.772 1.959 3.242 . 0 0 "[ . 1 . 2]" 1
143 1 21 VAL HA 1 35 LEU H 4.500 . 5.000 3.816 3.347 4.280 . 0 0 "[ . 1 . 2]" 1
144 1 21 VAL HB 1 22 SER H 4.500 . 5.000 4.054 3.858 4.275 . 0 0 "[ . 1 . 2]" 1
145 1 21 VAL HB 1 23 MET H 5.200 . 5.700 4.914 4.559 5.154 . 0 0 "[ . 1 . 2]" 1
146 1 21 VAL HB 1 90 GLY HA2 4.500 . 5.000 3.191 2.977 3.371 . 0 0 "[ . 1 . 2]" 1
147 1 21 VAL HB 1 90 GLY HA3 4.500 . 5.000 4.576 4.426 4.714 . 0 0 "[ . 1 . 2]" 1
148 1 21 VAL HB 1 91 ILE H 3.500 . 3.800 4.968 4.540 5.030 1.230 5 20 [****+**-************] 1
149 1 21 VAL HB 1 92 VAL H 4.500 . 5.000 4.974 4.664 5.021 0.021 13 0 "[ . 1 . 2]" 1
150 1 21 VAL MG1 1 22 SER H 3.500 . 3.800 2.300 2.015 2.631 . 0 0 "[ . 1 . 2]" 1
151 1 21 VAL MG1 1 23 MET H 3.500 . 3.800 2.458 2.215 2.718 . 0 0 "[ . 1 . 2]" 1
152 1 21 VAL MG1 1 32 VAL HB 3.500 . 3.800 4.119 3.866 4.390 0.590 1 1 "[+ . 1 . 2]" 1
153 1 21 VAL MG1 1 34 CYS HA 4.500 . 5.000 4.110 3.202 4.619 . 0 0 "[ . 1 . 2]" 1
154 1 21 VAL MG1 1 75 PHE QE 4.500 . 5.000 4.661 4.107 5.065 0.065 1 0 "[ . 1 . 2]" 1
155 1 21 VAL MG1 1 86 TYR QD 5.200 . 5.700 4.230 3.807 4.682 . 0 0 "[ . 1 . 2]" 1
156 1 21 VAL MG1 1 90 GLY H 5.200 . 5.700 5.720 5.552 5.814 0.114 4 0 "[ . 1 . 2]" 1
157 1 21 VAL MG2 1 32 VAL HB 4.500 . 5.000 4.972 4.846 5.018 0.018 14 0 "[ . 1 . 2]" 1
158 1 21 VAL MG2 1 34 CYS HA 4.500 . 5.000 4.209 3.824 4.596 . 0 0 "[ . 1 . 2]" 1
159 1 21 VAL MG2 1 51 SER H 5.200 . 5.700 4.978 4.733 5.016 . 0 0 "[ . 1 . 2]" 1
160 1 21 VAL MG2 1 90 GLY HA2 4.500 . 5.000 3.255 2.865 3.479 . 0 0 "[ . 1 . 2]" 1
161 1 21 VAL MG2 1 90 GLY HA3 4.500 . 5.000 4.066 3.698 4.251 . 0 0 "[ . 1 . 2]" 1
162 1 21 VAL MG2 1 91 ILE H 4.500 . 5.000 3.800 3.502 4.080 . 0 0 "[ . 1 . 2]" 1
163 1 21 VAL MG2 1 91 ILE HA 4.500 . 5.000 2.673 2.406 3.009 . 0 0 "[ . 1 . 2]" 1
164 1 21 VAL MG2 1 92 VAL H 3.500 . 3.800 2.623 2.331 2.900 . 0 0 "[ . 1 . 2]" 1
165 1 21 VAL MG2 1 92 VAL HA 4.500 . 5.000 3.929 3.711 4.157 . 0 0 "[ . 1 . 2]" 1
166 1 21 VAL MG2 1 92 VAL HB 4.500 . 5.000 2.633 2.303 2.911 . 0 0 "[ . 1 . 2]" 1
167 1 21 VAL MG2 1 92 VAL QG 4.500 . 5.000 2.658 2.441 2.817 . 0 0 "[ . 1 . 2]" 1
168 1 22 SER H 1 22 SER HB3 3.500 . 3.800 2.462 2.380 2.622 . 0 0 "[ . 1 . 2]" 1
169 1 22 SER H 1 23 MET H 3.500 . 3.800 2.042 1.961 2.134 . 0 0 "[ . 1 . 2]" 1
170 1 22 SER H 1 23 MET QB 5.200 . 5.700 4.476 4.319 4.879 . 0 0 "[ . 1 . 2]" 1
171 1 22 SER H 1 23 MET QG 5.200 . 5.700 5.356 4.138 5.728 0.028 18 0 "[ . 1 . 2]" 1
172 1 22 SER H 1 32 VAL MG2 4.500 . 5.000 3.775 3.579 3.918 . 0 0 "[ . 1 . 2]" 1
173 1 22 SER H 1 33 THR H 4.500 . 5.000 4.079 3.878 4.308 . 0 0 "[ . 1 . 2]" 1
174 1 22 SER H 1 33 THR MG 4.500 . 5.000 4.532 4.109 4.946 . 0 0 "[ . 1 . 2]" 1
175 1 22 SER H 1 34 CYS HA 3.500 . 3.800 3.202 2.221 3.431 . 0 0 "[ . 1 . 2]" 1
176 1 22 SER H 1 34 CYS HB2 5.200 . 5.700 5.852 5.139 6.005 0.305 5 0 "[ . 1 . 2]" 1
177 1 22 SER H 1 35 LEU H 4.500 . 5.000 4.240 3.737 4.422 . 0 0 "[ . 1 . 2]" 1
178 1 22 SER HB2 1 23 MET H 4.500 . 5.000 4.085 3.936 4.260 . 0 0 "[ . 1 . 2]" 1
179 1 22 SER HB2 1 35 LEU H 4.500 . 5.000 4.168 3.628 4.671 . 0 0 "[ . 1 . 2]" 1
180 1 22 SER HB2 1 35 LEU HA 3.500 . 3.800 2.187 2.014 2.661 . 0 0 "[ . 1 . 2]" 1
181 1 22 SER HB2 1 36 ASP H 4.500 . 5.000 3.804 3.522 4.186 . 0 0 "[ . 1 . 2]" 1
182 1 22 SER HB3 1 23 MET H 3.500 . 3.800 2.850 2.636 3.094 . 0 0 "[ . 1 . 2]" 1
183 1 22 SER HB3 1 23 MET QB 5.200 . 5.700 3.692 3.328 4.312 . 0 0 "[ . 1 . 2]" 1
184 1 22 SER HB3 1 23 MET QG 5.200 . 5.700 4.665 3.049 5.350 . 0 0 "[ . 1 . 2]" 1
185 1 22 SER HB3 1 35 LEU H 4.500 . 5.000 4.629 3.867 4.928 . 0 0 "[ . 1 . 2]" 1
186 1 23 MET H 1 23 MET QB 3.500 . 3.800 2.864 2.702 3.291 . 0 0 "[ . 1 . 2]" 1
187 1 23 MET H 1 23 MET QG 4.500 . 5.000 3.871 2.766 4.180 . 0 0 "[ . 1 . 2]" 1
188 1 23 MET H 1 24 VAL H 4.500 . 5.000 4.266 4.068 4.368 . 0 0 "[ . 1 . 2]" 1
189 1 23 MET H 1 32 VAL HA 4.500 . 5.000 4.886 4.689 5.001 0.001 1 0 "[ . 1 . 2]" 1
190 1 23 MET H 1 32 VAL MG2 4.500 . 5.000 3.377 3.201 3.483 . 0 0 "[ . 1 . 2]" 1
191 1 23 MET H 1 33 THR H 3.500 . 3.800 3.113 2.973 3.250 . 0 0 "[ . 1 . 2]" 1
192 1 23 MET H 1 33 THR MG 4.500 . 5.000 4.475 4.084 4.895 . 0 0 "[ . 1 . 2]" 1
193 1 23 MET H 1 34 CYS HA 4.500 . 5.000 4.777 3.905 5.002 0.002 12 0 "[ . 1 . 2]" 1
194 1 23 MET HA 1 23 MET ME 4.500 . 5.000 3.218 2.036 4.005 . 0 0 "[ . 1 . 2]" 1
195 1 23 MET HA 1 24 VAL H 3.500 . 3.800 2.267 2.165 2.406 . 0 0 "[ . 1 . 2]" 1
196 1 23 MET HA 1 86 TYR QD 4.500 . 5.000 4.129 3.322 4.636 . 0 0 "[ . 1 . 2]" 1
197 1 23 MET QB 1 24 VAL H 3.500 . 3.800 2.993 2.407 3.407 . 0 0 "[ . 1 . 2]" 1
198 1 23 MET QB 1 33 THR H 4.500 . 5.000 3.918 3.496 4.789 . 0 0 "[ . 1 . 2]" 1
199 1 23 MET QB 1 33 THR HB 5.200 . 5.700 3.225 2.671 4.624 . 0 0 "[ . 1 . 2]" 1
200 1 23 MET QB 1 86 TYR QD 4.500 . 5.000 5.577 4.093 6.001 1.001 11 15 "[** **** *1+ ******-2]" 1
201 1 23 MET ME 1 86 TYR QD 4.500 . 5.000 3.979 2.494 5.002 0.002 20 0 "[ . 1 . 2]" 1
202 1 23 MET QG 1 33 THR H 5.200 . 5.700 5.428 3.026 6.007 0.307 19 0 "[ . 1 . 2]" 1
203 1 23 MET QG 1 33 THR HB 5.200 . 5.700 4.745 2.285 5.480 . 0 0 "[ . 1 . 2]" 1
204 1 24 VAL H 1 24 VAL HB 3.500 . 3.800 3.374 3.205 3.494 . 0 0 "[ . 1 . 2]" 1
205 1 24 VAL H 1 24 VAL MG1 3.500 . 3.800 2.366 2.097 2.604 . 0 0 "[ . 1 . 2]" 1
206 1 24 VAL H 1 24 VAL MG2 4.500 . 5.000 3.984 3.929 4.036 . 0 0 "[ . 1 . 2]" 1
207 1 24 VAL H 1 25 THR H 4.500 . 5.000 4.217 3.913 4.404 . 0 0 "[ . 1 . 2]" 1
208 1 24 VAL H 1 25 THR HA 4.500 . 5.000 4.600 4.429 4.754 . 0 0 "[ . 1 . 2]" 1
209 1 24 VAL H 1 25 THR MG 4.500 . 5.000 4.508 4.113 4.858 . 0 0 "[ . 1 . 2]" 1
210 1 24 VAL H 1 32 VAL MG2 4.500 . 5.000 4.380 4.091 4.669 . 0 0 "[ . 1 . 2]" 1
211 1 24 VAL H 1 86 TYR H 5.200 . 5.700 6.463 5.562 6.935 1.235 11 16 "[** **-** *+******* 2]" 1
212 1 24 VAL H 1 86 TYR QB 4.500 . 5.000 4.027 3.237 4.466 . 0 0 "[ . 1 . 2]" 1
213 1 24 VAL H 1 86 TYR QD 3.500 . 3.800 3.620 2.518 4.068 0.268 16 0 "[ . 1 . 2]" 1
214 1 24 VAL H 1 86 TYR QE 4.500 . 5.000 4.119 3.087 4.649 . 0 0 "[ . 1 . 2]" 1
215 1 24 VAL HA 1 24 VAL MG1 3.500 . 3.800 3.203 3.194 3.207 . 0 0 "[ . 1 . 2]" 1
216 1 24 VAL HA 1 24 VAL MG2 3.500 . 3.800 2.268 2.244 2.375 . 0 0 "[ . 1 . 2]" 1
217 1 24 VAL HB 1 25 THR H 4.500 . 5.000 4.119 3.921 4.375 . 0 0 "[ . 1 . 2]" 1
218 1 24 VAL HB 1 32 VAL HB 4.500 . 5.000 2.828 2.491 3.060 . 0 0 "[ . 1 . 2]" 1
219 1 24 VAL HB 1 32 VAL MG1 4.500 . 5.000 4.238 3.977 4.459 . 0 0 "[ . 1 . 2]" 1
220 1 24 VAL HB 1 33 THR H 5.200 . 5.700 3.928 3.532 4.325 . 0 0 "[ . 1 . 2]" 1
221 1 24 VAL HB 1 86 TYR QB 4.500 . 5.000 4.560 4.250 4.805 . 0 0 "[ . 1 . 2]" 1
222 1 24 VAL HB 1 86 TYR QD 5.200 . 5.700 4.616 4.286 4.783 . 0 0 "[ . 1 . 2]" 1
223 1 24 VAL MG1 1 25 THR H 4.500 . 5.000 3.844 3.610 4.108 . 0 0 "[ . 1 . 2]" 1
224 1 24 VAL MG1 1 26 LYS H 5.200 . 5.700 4.977 4.914 5.009 . 0 0 "[ . 1 . 2]" 1
225 1 24 VAL MG1 1 56 MET ME 3.500 . 3.800 3.211 2.886 3.505 . 0 0 "[ . 1 . 2]" 1
226 1 24 VAL MG1 1 86 TYR H 4.500 . 5.000 3.917 3.485 4.236 . 0 0 "[ . 1 . 2]" 1
227 1 24 VAL MG1 1 86 TYR QB 4.500 . 5.000 2.025 1.806 2.199 . 0 0 "[ . 1 . 2]" 1
228 1 24 VAL MG2 1 25 THR H 3.500 . 3.800 2.328 1.946 2.896 . 0 0 "[ . 1 . 2]" 1
229 1 24 VAL MG2 1 25 THR MG 4.500 . 5.000 4.299 4.010 4.662 . 0 0 "[ . 1 . 2]" 1
230 1 24 VAL MG2 1 31 VAL H 4.500 . 5.000 4.229 3.711 4.649 . 0 0 "[ . 1 . 2]" 1
231 1 24 VAL MG2 1 32 VAL H 4.500 . 5.000 4.046 3.673 4.354 . 0 0 "[ . 1 . 2]" 1
232 1 24 VAL MG2 1 32 VAL HA 4.500 . 5.000 2.867 2.463 3.178 . 0 0 "[ . 1 . 2]" 1
233 1 24 VAL MG2 1 56 MET ME 4.500 . 5.000 3.401 2.852 3.825 . 0 0 "[ . 1 . 2]" 1
234 1 24 VAL MG2 1 86 TYR H 5.200 . 5.700 5.310 4.939 5.596 . 0 0 "[ . 1 . 2]" 1
235 1 24 VAL MG2 1 86 TYR QB 4.500 . 5.000 3.665 3.486 3.837 . 0 0 "[ . 1 . 2]" 1
236 1 25 THR H 1 25 THR MG 3.500 . 3.800 2.697 2.101 3.229 . 0 0 "[ . 1 . 2]" 1
237 1 25 THR H 1 30 GLY HA2 5.200 . 5.700 4.519 4.162 5.151 . 0 0 "[ . 1 . 2]" 1
238 1 25 THR H 1 30 GLY HA3 5.200 . 5.700 5.008 4.768 5.325 . 0 0 "[ . 1 . 2]" 1
239 1 25 THR H 1 31 VAL H 3.500 . 3.800 3.524 3.272 3.883 0.083 9 0 "[ . 1 . 2]" 1
240 1 25 THR H 1 31 VAL HB 4.500 . 5.000 4.211 3.885 4.812 . 0 0 "[ . 1 . 2]" 1
241 1 25 THR H 1 31 VAL MG2 5.200 . 5.700 5.069 4.809 5.435 . 0 0 "[ . 1 . 2]" 1
242 1 25 THR H 1 32 VAL HA 3.500 . 3.800 3.393 3.166 3.587 . 0 0 "[ . 1 . 2]" 1
243 1 25 THR H 1 32 VAL MG2 5.200 . 5.700 4.711 4.403 4.957 . 0 0 "[ . 1 . 2]" 1
244 1 25 THR HA 1 25 THR MG 3.500 . 3.800 2.339 2.107 2.519 . 0 0 "[ . 1 . 2]" 1
245 1 25 THR HA 1 26 LYS H 2.500 . 2.800 2.236 2.182 2.279 . 0 0 "[ . 1 . 2]" 1
246 1 25 THR HA 1 56 MET ME 5.200 . 5.700 4.825 4.149 5.552 . 0 0 "[ . 1 . 2]" 1
247 1 25 THR HB 1 26 LYS H 3.500 . 3.800 2.910 2.747 3.145 . 0 0 "[ . 1 . 2]" 1
248 1 25 THR HB 1 27 ASP HB2 4.500 . 5.000 3.293 2.817 3.496 . 0 0 "[ . 1 . 2]" 1
249 1 25 THR HB 1 27 ASP HB3 4.500 . 5.000 4.815 4.295 5.003 0.003 6 0 "[ . 1 . 2]" 1
250 1 25 THR MG 1 26 LYS H 4.500 . 5.000 3.773 3.337 4.052 . 0 0 "[ . 1 . 2]" 1
251 1 25 THR MG 1 30 GLY HA3 5.200 . 5.700 5.038 4.595 5.364 . 0 0 "[ . 1 . 2]" 1
252 1 25 THR MG 1 31 VAL H 3.500 . 3.800 3.687 2.970 4.131 0.331 13 0 "[ . 1 . 2]" 1
253 1 25 THR MG 1 31 VAL HB 3.500 . 3.800 3.266 2.514 3.917 0.117 11 0 "[ . 1 . 2]" 1
254 1 25 THR MG 1 31 VAL MG2 4.500 . 5.000 4.023 3.489 4.532 . 0 0 "[ . 1 . 2]" 1
255 1 26 LYS H 1 26 LYS QB 3.500 . 3.800 2.329 2.304 2.356 . 0 0 "[ . 1 . 2]" 1
256 1 26 LYS H 1 26 LYS QG 4.500 . 5.000 4.037 3.987 4.091 . 0 0 "[ . 1 . 2]" 1
257 1 26 LYS H 1 27 ASP HB2 5.200 . 5.700 4.509 4.352 4.617 . 0 0 "[ . 1 . 2]" 1
258 1 26 LYS H 1 27 ASP HB3 5.200 . 5.700 5.972 5.830 6.014 0.314 20 0 "[ . 1 . 2]" 1
259 1 26 LYS H 1 56 MET ME 4.500 . 5.000 4.072 3.534 4.505 . 0 0 "[ . 1 . 2]" 1
260 1 26 LYS HA 1 27 ASP H 3.500 . 3.800 2.377 2.271 2.602 . 0 0 "[ . 1 . 2]" 1
261 1 26 LYS HA 1 56 MET ME 3.500 . 3.800 2.535 2.085 2.916 . 0 0 "[ . 1 . 2]" 1
262 1 26 LYS QB 1 27 ASP H 4.500 . 5.000 4.028 3.999 4.048 . 0 0 "[ . 1 . 2]" 1
263 1 26 LYS QB 1 56 MET ME 3.500 . 3.800 2.432 1.988 2.766 . 0 0 "[ . 1 . 2]" 1
264 1 26 LYS QB 1 85 ASP H 4.500 . 5.000 5.408 4.393 5.850 0.850 15 10 "[- ** ** 1*** + * 2]" 1
265 1 26 LYS QB 1 86 TYR H 4.500 . 5.000 3.273 2.818 3.625 . 0 0 "[ . 1 . 2]" 1
266 1 26 LYS QD 1 81 SER H 5.200 . 5.700 5.327 4.095 6.016 0.316 13 0 "[ . 1 . 2]" 1
267 1 26 LYS QD 1 81 SER QB 4.500 . 5.000 4.456 3.056 5.600 0.600 4 1 "[ +. 1 . 2]" 1
268 1 26 LYS QD 1 83 PHE H 4.500 . 5.000 4.485 3.190 5.004 0.004 20 0 "[ . 1 . 2]" 1
269 1 26 LYS QD 1 83 PHE QD 5.200 . 5.700 5.961 4.471 7.098 1.398 19 7 "[ * . *1 * * *+-]" 1
270 1 26 LYS QD 1 85 ASP HA 4.500 . 5.000 3.614 2.118 4.617 . 0 0 "[ . 1 . 2]" 1
271 1 26 LYS QE 1 83 PHE H 4.500 . 5.000 4.196 2.792 5.004 0.004 9 0 "[ . 1 . 2]" 1
272 1 26 LYS QE 1 85 ASP H 4.500 . 5.000 4.216 3.103 5.006 0.006 16 0 "[ . 1 . 2]" 1
273 1 26 LYS QG 1 27 ASP H 4.500 . 5.000 3.818 3.587 4.135 . 0 0 "[ . 1 . 2]" 1
274 1 26 LYS QG 1 56 MET ME 3.500 . 3.800 2.207 1.827 2.789 . 0 0 "[ . 1 . 2]" 1
275 1 26 LYS QG 1 81 SER QB 4.500 . 5.000 4.308 3.341 5.003 0.003 17 0 "[ . 1 . 2]" 1
276 1 26 LYS QG 1 83 PHE H 4.500 . 5.000 4.221 3.805 4.735 . 0 0 "[ . 1 . 2]" 1
277 1 26 LYS QG 1 83 PHE QB 5.200 . 5.700 3.919 3.415 4.505 . 0 0 "[ . 1 . 2]" 1
278 1 26 LYS QG 1 86 TYR H 5.200 . 5.700 4.203 3.406 4.745 . 0 0 "[ . 1 . 2]" 1
279 1 27 ASP H 1 28 ASN H 4.500 . 5.000 4.235 4.118 4.286 . 0 0 "[ . 1 . 2]" 1
280 1 27 ASP H 1 30 GLY HA2 3.500 . 3.800 2.700 2.534 3.032 . 0 0 "[ . 1 . 2]" 1
281 1 27 ASP H 1 30 GLY HA3 4.500 . 5.000 3.091 2.605 3.440 . 0 0 "[ . 1 . 2]" 1
282 1 27 ASP H 1 56 MET ME 4.500 . 5.000 4.450 3.984 4.974 . 0 0 "[ . 1 . 2]" 1
283 1 27 ASP HB2 1 28 ASN H 4.500 . 5.000 3.491 3.401 3.536 . 0 0 "[ . 1 . 2]" 1
284 1 27 ASP HB2 1 31 VAL H 4.500 . 5.000 4.076 3.730 4.356 . 0 0 "[ . 1 . 2]" 1
285 1 27 ASP HB3 1 28 ASN H 3.500 . 3.800 2.139 1.975 2.227 . 0 0 "[ . 1 . 2]" 1
286 1 27 ASP HB3 1 28 ASN HA 4.500 . 5.000 4.022 3.995 4.111 . 0 0 "[ . 1 . 2]" 1
287 1 27 ASP HB3 1 30 GLY H 5.200 . 5.700 4.278 4.059 4.378 . 0 0 "[ . 1 . 2]" 1
288 1 27 ASP HB3 1 30 GLY HA3 4.500 . 5.000 2.338 2.249 2.646 . 0 0 "[ . 1 . 2]" 1
289 1 27 ASP HB3 1 31 VAL H 4.500 . 5.000 4.172 3.905 4.371 . 0 0 "[ . 1 . 2]" 1
290 1 28 ASN H 1 28 ASN QB 3.500 . 3.800 3.106 2.710 3.308 . 0 0 "[ . 1 . 2]" 1
291 1 28 ASN H 1 30 GLY HA3 4.500 . 5.000 4.125 3.896 4.281 . 0 0 "[ . 1 . 2]" 1
292 1 28 ASN HA 1 29 PRO QB 4.500 . 5.000 3.782 3.723 3.833 . 0 0 "[ . 1 . 2]" 1
293 1 28 ASN HA 1 30 GLY H 3.500 . 3.800 3.651 3.564 4.335 0.535 5 1 "[ + 1 . 2]" 1
294 1 28 ASN HA 1 79 ASP QB 4.500 . 5.000 3.884 2.615 4.628 . 0 0 "[ . 1 . 2]" 1
295 1 28 ASN HA 1 80 THR H 4.500 . 5.000 2.959 2.446 3.465 . 0 0 "[ . 1 . 2]" 1
296 1 28 ASN QB 1 30 GLY H 5.200 . 5.700 5.397 5.265 5.796 0.096 5 0 "[ . 1 . 2]" 1
297 1 28 ASN QB 1 79 ASP QB 4.500 . 5.000 3.330 2.162 4.991 . 0 0 "[ . 1 . 2]" 1
298 1 28 ASN QB 1 80 THR H 4.500 . 5.000 3.478 2.816 4.693 . 0 0 "[ . 1 . 2]" 1
299 1 29 PRO HA 1 30 GLY HA3 4.500 . 5.000 4.421 4.365 4.997 . 0 0 "[ . 1 . 2]" 1
300 1 29 PRO QB 1 30 GLY H 3.500 . 3.800 2.482 2.216 2.504 . 0 0 "[ . 1 . 2]" 1
301 1 29 PRO QB 1 76 SER HB2 4.500 . 5.000 3.702 3.405 4.873 . 0 0 "[ . 1 . 2]" 1
302 1 29 PRO QB 1 77 ILE H 4.500 . 5.000 3.277 3.009 3.498 . 0 0 "[ . 1 . 2]" 1
303 1 29 PRO QB 1 78 CYS H 5.200 . 5.700 5.202 4.343 5.587 . 0 0 "[ . 1 . 2]" 1
304 1 29 PRO HG2 1 76 SER HB2 4.500 . 5.000 4.137 3.949 4.224 . 0 0 "[ . 1 . 2]" 1
305 1 29 PRO HG3 1 30 GLY H 4.500 . 5.000 4.948 3.408 5.041 0.041 12 0 "[ . 1 . 2]" 1
306 1 29 PRO HG3 1 76 SER HB2 5.200 . 5.700 5.012 5.004 5.018 . 0 0 "[ . 1 . 2]" 1
307 1 29 PRO HG3 1 76 SER HB3 5.200 . 5.700 4.931 4.654 5.009 . 0 0 "[ . 1 . 2]" 1
308 1 29 PRO HG3 1 77 ILE H 5.200 . 5.700 5.758 4.936 5.990 0.290 9 0 "[ . 1 . 2]" 1
309 1 30 GLY H 1 31 VAL H 4.500 . 5.000 4.509 4.044 4.559 . 0 0 "[ . 1 . 2]" 1
310 1 30 GLY H 1 31 VAL HA 5.200 . 5.700 5.051 4.538 5.162 . 0 0 "[ . 1 . 2]" 1
311 1 30 GLY H 1 31 VAL MG2 5.200 . 5.700 4.845 3.795 4.978 . 0 0 "[ . 1 . 2]" 1
312 1 30 GLY H 1 77 ILE HB 5.200 . 5.700 5.303 4.847 6.019 0.319 5 0 "[ . 1 . 2]" 1
313 1 30 GLY H 1 77 ILE MD 4.500 . 5.000 3.528 2.613 4.871 . 0 0 "[ . 1 . 2]" 1
314 1 30 GLY H 1 77 ILE QG 4.500 . 5.000 2.981 2.496 3.627 . 0 0 "[ . 1 . 2]" 1
315 1 30 GLY HA2 1 77 ILE H 4.500 . 5.000 4.181 3.919 4.312 . 0 0 "[ . 1 . 2]" 1
316 1 30 GLY HA2 1 77 ILE MD 4.500 . 5.000 3.524 2.994 3.833 . 0 0 "[ . 1 . 2]" 1
317 1 30 GLY HA3 1 31 VAL H 3.500 . 3.800 2.259 2.197 2.319 . 0 0 "[ . 1 . 2]" 1
318 1 30 GLY HA3 1 31 VAL MG2 4.500 . 5.000 3.384 3.233 3.513 . 0 0 "[ . 1 . 2]" 1
319 1 30 GLY HA3 1 77 ILE MD 4.500 . 5.000 4.947 4.427 5.009 0.009 4 0 "[ . 1 . 2]" 1
320 1 31 VAL H 1 31 VAL HB 3.500 . 3.800 2.633 2.611 2.662 . 0 0 "[ . 1 . 2]" 1
321 1 31 VAL H 1 31 VAL MG1 4.500 . 5.000 3.834 3.829 3.843 . 0 0 "[ . 1 . 2]" 1
322 1 31 VAL H 1 31 VAL MG2 3.500 . 3.800 2.420 2.249 2.500 . 0 0 "[ . 1 . 2]" 1
323 1 31 VAL HA 1 31 VAL MG1 3.500 . 3.800 2.286 2.190 2.389 . 0 0 "[ . 1 . 2]" 1
324 1 31 VAL HA 1 31 VAL MG2 3.500 . 3.800 2.443 2.364 2.516 . 0 0 "[ . 1 . 2]" 1
325 1 31 VAL HA 1 32 VAL H 3.500 . 3.800 2.166 2.133 2.239 . 0 0 "[ . 1 . 2]" 1
326 1 31 VAL HA 1 75 PHE H 4.500 . 5.000 4.469 4.241 4.673 . 0 0 "[ . 1 . 2]" 1
327 1 31 VAL HA 1 76 SER H 4.500 . 5.000 4.580 4.441 4.695 . 0 0 "[ . 1 . 2]" 1
328 1 31 VAL HA 1 76 SER HA 3.500 . 3.800 2.184 1.994 2.319 . 0 0 "[ . 1 . 2]" 1
329 1 31 VAL HA 1 77 ILE H 4.500 . 5.000 3.928 3.566 4.145 . 0 0 "[ . 1 . 2]" 1
330 1 31 VAL HB 1 32 VAL H 4.500 . 5.000 4.065 3.801 4.301 . 0 0 "[ . 1 . 2]" 1
331 1 31 VAL HB 1 74 THR MG 5.200 . 5.700 5.464 4.451 5.804 0.104 16 0 "[ . 1 . 2]" 1
332 1 31 VAL MG1 1 32 VAL H 3.500 . 3.800 2.510 2.098 3.049 . 0 0 "[ . 1 . 2]" 1
333 1 31 VAL MG1 1 74 THR HA 4.500 . 5.000 3.950 3.585 4.242 . 0 0 "[ . 1 . 2]" 1
334 1 31 VAL MG1 1 74 THR HB 4.500 . 5.000 3.628 3.333 3.934 . 0 0 "[ . 1 . 2]" 1
335 1 31 VAL MG1 1 74 THR MG 3.500 . 3.800 3.146 2.252 3.450 . 0 0 "[ . 1 . 2]" 1
336 1 31 VAL MG1 1 75 PHE H 3.500 . 3.800 2.841 2.612 2.982 . 0 0 "[ . 1 . 2]" 1
337 1 31 VAL MG1 1 76 SER H 4.500 . 5.000 4.569 4.309 4.781 . 0 0 "[ . 1 . 2]" 1
338 1 31 VAL MG2 1 32 VAL H 4.500 . 5.000 4.113 3.983 4.232 . 0 0 "[ . 1 . 2]" 1
339 1 31 VAL MG2 1 76 SER HA 4.500 . 5.000 3.865 3.673 4.048 . 0 0 "[ . 1 . 2]" 1
340 1 31 VAL MG2 1 76 SER HB2 4.500 . 5.000 2.911 2.537 3.147 . 0 0 "[ . 1 . 2]" 1
341 1 31 VAL MG2 1 76 SER HB3 4.500 . 5.000 4.371 3.979 4.609 . 0 0 "[ . 1 . 2]" 1
342 1 31 VAL MG2 1 77 ILE H 4.500 . 5.000 4.936 4.697 5.009 0.009 2 0 "[ . 1 . 2]" 1
343 1 32 VAL H 1 32 VAL MG1 3.500 . 3.800 2.129 1.949 2.320 . 0 0 "[ . 1 . 2]" 1
344 1 32 VAL H 1 32 VAL MG2 4.500 . 5.000 3.835 3.759 3.893 . 0 0 "[ . 1 . 2]" 1
345 1 32 VAL H 1 74 THR HA 5.200 . 5.700 5.079 4.614 5.535 . 0 0 "[ . 1 . 2]" 1
346 1 32 VAL H 1 74 THR MG 5.200 . 5.700 5.349 4.346 5.807 0.107 14 0 "[ . 1 . 2]" 1
347 1 32 VAL H 1 75 PHE H 3.500 . 3.800 3.322 2.953 3.735 . 0 0 "[ . 1 . 2]" 1
348 1 32 VAL H 1 75 PHE QE 5.200 . 5.700 4.858 4.661 4.977 . 0 0 "[ . 1 . 2]" 1
349 1 32 VAL H 1 76 SER HA 3.500 . 3.800 2.620 2.302 2.980 . 0 0 "[ . 1 . 2]" 1
350 1 32 VAL H 1 76 SER HB3 5.200 . 5.700 5.331 5.083 5.597 . 0 0 "[ . 1 . 2]" 1
351 1 32 VAL H 1 77 ILE H 5.200 . 5.700 4.607 4.145 5.074 . 0 0 "[ . 1 . 2]" 1
352 1 32 VAL H 1 77 ILE MG 5.200 . 5.700 4.400 3.949 4.884 . 0 0 "[ . 1 . 2]" 1
353 1 32 VAL HA 1 32 VAL MG1 3.500 . 3.800 3.197 3.189 3.202 . 0 0 "[ . 1 . 2]" 1
354 1 32 VAL HA 1 32 VAL MG2 3.500 . 3.800 2.430 2.376 2.501 . 0 0 "[ . 1 . 2]" 1
355 1 32 VAL HA 1 33 THR H 3.500 . 3.800 2.304 2.193 2.340 . 0 0 "[ . 1 . 2]" 1
356 1 32 VAL HB 1 33 THR H 4.500 . 5.000 3.800 3.747 4.046 . 0 0 "[ . 1 . 2]" 1
357 1 32 VAL HB 1 75 PHE QE 4.500 . 5.000 4.645 4.452 4.745 . 0 0 "[ . 1 . 2]" 1
358 1 32 VAL MG1 1 33 THR H 4.500 . 5.000 3.738 3.619 3.911 . 0 0 "[ . 1 . 2]" 1
359 1 32 VAL MG1 1 48 VAL MG2 5.200 . 5.700 4.627 4.404 4.851 . 0 0 "[ . 1 . 2]" 1
360 1 32 VAL MG1 1 75 PHE QD 4.500 . 5.000 2.799 2.752 2.863 . 0 0 "[ . 1 . 2]" 1
361 1 32 VAL MG1 1 76 SER HA 4.500 . 5.000 2.739 2.560 2.896 . 0 0 "[ . 1 . 2]" 1
362 1 32 VAL MG1 1 77 ILE H 4.500 . 5.000 3.723 3.517 4.008 . 0 0 "[ . 1 . 2]" 1
363 1 32 VAL MG1 1 77 ILE MG 3.500 . 3.800 2.206 1.896 2.674 . 0 0 "[ . 1 . 2]" 1
364 1 32 VAL MG2 1 33 THR H 3.500 . 3.800 2.007 1.911 2.406 . 0 0 "[ . 1 . 2]" 1
365 1 32 VAL MG2 1 33 THR HA 4.500 . 5.000 3.462 3.316 3.702 . 0 0 "[ . 1 . 2]" 1
366 1 32 VAL MG2 1 34 CYS H 4.500 . 5.000 4.498 4.100 4.706 . 0 0 "[ . 1 . 2]" 1
367 1 32 VAL MG2 1 75 PHE H 4.500 . 5.000 5.019 5.003 5.029 0.029 7 0 "[ . 1 . 2]" 1
368 1 32 VAL MG2 1 75 PHE QE 4.500 . 5.000 2.747 2.203 3.004 . 0 0 "[ . 1 . 2]" 1
369 1 32 VAL MG2 1 77 ILE MG 4.500 . 5.000 3.713 3.297 4.205 . 0 0 "[ . 1 . 2]" 1
370 1 32 VAL MG2 1 92 VAL QG 4.500 . 5.000 3.884 3.622 4.125 . 0 0 "[ . 1 . 2]" 1
371 1 33 THR H 1 33 THR HB 3.500 . 3.800 2.788 2.610 3.032 . 0 0 "[ . 1 . 2]" 1
372 1 33 THR H 1 33 THR MG 4.500 . 5.000 3.889 3.822 3.939 . 0 0 "[ . 1 . 2]" 1
373 1 33 THR H 1 34 CYS H 4.500 . 5.000 4.479 4.389 4.543 . 0 0 "[ . 1 . 2]" 1
374 1 33 THR HA 1 33 THR MG 3.500 . 3.800 2.306 2.124 2.442 . 0 0 "[ . 1 . 2]" 1
375 1 33 THR HA 1 34 CYS H 3.500 . 3.800 2.368 2.214 2.449 . 0 0 "[ . 1 . 2]" 1
376 1 33 THR HA 1 74 THR HA 4.500 . 5.000 2.913 2.672 3.021 . 0 0 "[ . 1 . 2]" 1
377 1 33 THR HA 1 74 THR MG 3.500 . 3.800 3.797 3.337 4.027 0.227 7 0 "[ . 1 . 2]" 1
378 1 33 THR HA 1 75 PHE H 4.500 . 5.000 3.865 3.677 3.994 . 0 0 "[ . 1 . 2]" 1
379 1 33 THR HB 1 34 CYS H 4.500 . 5.000 3.507 3.162 3.964 . 0 0 "[ . 1 . 2]" 1
380 1 33 THR MG 1 34 CYS H 3.500 . 3.800 2.011 1.894 2.597 . 0 0 "[ . 1 . 2]" 1
381 1 33 THR MG 1 73 TYR HB2 4.500 . 5.000 3.570 2.944 4.051 . 0 0 "[ . 1 . 2]" 1
382 1 33 THR MG 1 73 TYR HB3 4.500 . 5.000 2.686 2.390 3.083 . 0 0 "[ . 1 . 2]" 1
383 1 33 THR MG 1 73 TYR QD 4.500 . 5.000 3.936 3.458 4.586 . 0 0 "[ . 1 . 2]" 1
384 1 34 CYS H 1 34 CYS HB3 3.500 . 3.800 3.698 3.684 3.704 . 0 0 "[ . 1 . 2]" 1
385 1 34 CYS H 1 35 LEU H 4.500 . 5.000 4.535 4.525 4.551 . 0 0 "[ . 1 . 2]" 1
386 1 34 CYS H 1 73 TYR HB2 4.500 . 5.000 4.577 3.949 4.992 . 0 0 "[ . 1 . 2]" 1
387 1 34 CYS H 1 73 TYR QD 4.500 . 5.000 3.802 3.247 4.699 . 0 0 "[ . 1 . 2]" 1
388 1 34 CYS H 1 74 THR HA 4.500 . 5.000 4.321 4.125 4.553 . 0 0 "[ . 1 . 2]" 1
389 1 34 CYS H 1 74 THR MG 4.500 . 5.000 4.909 4.670 5.010 0.010 14 0 "[ . 1 . 2]" 1
390 1 34 CYS H 1 75 PHE H 5.200 . 5.700 5.777 5.593 6.003 0.303 18 0 "[ . 1 . 2]" 1
391 1 34 CYS HA 1 35 LEU H 3.500 . 3.800 2.442 2.377 2.471 . 0 0 "[ . 1 . 2]" 1
392 1 34 CYS HA 1 35 LEU HB2 5.200 . 5.700 4.482 4.354 4.582 . 0 0 "[ . 1 . 2]" 1
393 1 34 CYS HA 1 35 LEU HB3 5.200 . 5.700 5.114 4.934 5.299 . 0 0 "[ . 1 . 2]" 1
394 1 34 CYS HB2 1 35 LEU H 3.500 . 3.800 3.186 2.967 3.392 . 0 0 "[ . 1 . 2]" 1
395 1 34 CYS HB2 1 35 LEU HB3 4.500 . 5.000 5.016 5.008 5.027 0.027 14 0 "[ . 1 . 2]" 1
396 1 34 CYS HB2 1 38 ALA H 5.200 . 5.700 4.539 4.082 5.325 . 0 0 "[ . 1 . 2]" 1
397 1 34 CYS HB2 1 38 ALA MB 4.500 . 5.000 3.175 2.029 4.605 . 0 0 "[ . 1 . 2]" 1
398 1 34 CYS HB3 1 35 LEU H 4.500 . 5.000 2.477 2.266 2.634 . 0 0 "[ . 1 . 2]" 1
399 1 34 CYS HB3 1 35 LEU HB3 5.200 . 5.700 4.596 4.151 4.976 . 0 0 "[ . 1 . 2]" 1
400 1 34 CYS HB3 1 38 ALA H 5.200 . 5.700 4.802 3.938 5.795 0.095 1 0 "[ . 1 . 2]" 1
401 1 34 CYS HB3 1 38 ALA MB 4.500 . 5.000 2.578 1.872 3.612 . 0 0 "[ . 1 . 2]" 1
402 1 35 LEU H 1 35 LEU HB2 3.500 . 3.800 2.344 2.183 2.566 . 0 0 "[ . 1 . 2]" 1
403 1 35 LEU H 1 35 LEU HB3 3.500 . 3.800 2.684 2.508 2.874 . 0 0 "[ . 1 . 2]" 1
404 1 35 LEU H 1 35 LEU MD1 4.500 . 5.000 3.927 3.646 4.223 . 0 0 "[ . 1 . 2]" 1
405 1 35 LEU H 1 35 LEU HG 4.500 . 5.000 4.438 4.324 4.506 . 0 0 "[ . 1 . 2]" 1
406 1 35 LEU H 1 36 ASP H 5.200 . 5.700 4.630 4.587 4.645 . 0 0 "[ . 1 . 2]" 1
407 1 35 LEU H 1 38 ALA H 4.500 . 5.000 4.128 3.831 5.012 0.012 1 0 "[ . 1 . 2]" 1
408 1 35 LEU HA 1 35 LEU MD2 3.500 . 3.800 3.777 3.438 3.897 0.097 2 0 "[ . 1 . 2]" 1
409 1 35 LEU HA 1 36 ASP H 2.500 . 2.800 2.305 2.209 2.387 . 0 0 "[ . 1 . 2]" 1
410 1 35 LEU HB2 1 36 ASP H 3.500 . 3.800 4.049 3.930 4.243 0.443 11 0 "[ . 1 . 2]" 1
411 1 35 LEU HB2 1 37 GLU H 4.500 . 5.000 4.295 4.217 4.511 . 0 0 "[ . 1 . 2]" 1
412 1 35 LEU HB3 1 36 ASP H 4.500 . 5.000 3.642 3.320 3.961 . 0 0 "[ . 1 . 2]" 1
413 1 35 LEU HB3 1 37 GLU H 4.500 . 5.000 2.911 2.598 3.483 . 0 0 "[ . 1 . 2]" 1
414 1 35 LEU HB3 1 38 ALA H 4.500 . 5.000 2.803 1.966 3.959 . 0 0 "[ . 1 . 2]" 1
415 1 35 LEU MD1 1 38 ALA MB 4.500 . 5.000 3.913 2.729 4.300 . 0 0 "[ . 1 . 2]" 1
416 1 35 LEU MD2 1 36 ASP H 3.500 . 3.800 3.370 2.191 3.707 . 0 0 "[ . 1 . 2]" 1
417 1 35 LEU MD2 1 37 GLU H 4.500 . 5.000 2.248 1.832 2.898 . 0 0 "[ . 1 . 2]" 1
418 1 35 LEU MD2 1 38 ALA MB 4.500 . 5.000 2.909 1.992 3.888 . 0 0 "[ . 1 . 2]" 1
419 1 35 LEU HG 1 36 ASP H 4.500 . 5.000 2.034 1.956 2.555 . 0 0 "[ . 1 . 2]" 1
420 1 35 LEU HG 1 37 GLU H 4.500 . 5.000 2.641 1.995 3.692 . 0 0 "[ . 1 . 2]" 1
421 1 36 ASP H 1 36 ASP QB 3.500 . 3.800 2.197 2.042 2.647 . 0 0 "[ . 1 . 2]" 1
422 1 36 ASP H 1 37 GLU H 3.500 . 3.800 2.748 2.604 2.951 . 0 0 "[ . 1 . 2]" 1
423 1 36 ASP H 1 38 ALA H 4.500 . 5.000 4.334 3.886 4.868 . 0 0 "[ . 1 . 2]" 1
424 1 36 ASP HA 1 38 ALA H 4.500 . 5.000 4.190 3.768 5.035 0.035 14 0 "[ . 1 . 2]" 1
425 1 36 ASP QB 1 37 GLU H 4.500 . 5.000 2.945 2.718 3.544 . 0 0 "[ . 1 . 2]" 1
426 1 36 ASP QB 1 38 ALA H 4.500 . 5.000 4.799 4.649 5.001 0.001 14 0 "[ . 1 . 2]" 1
427 1 37 GLU H 1 37 GLU QB 3.500 . 3.800 2.818 2.185 3.323 . 0 0 "[ . 1 . 2]" 1
428 1 37 GLU H 1 37 GLU HG2 3.500 . 3.800 2.840 2.024 4.615 0.815 12 2 "[- . 1 + . 2]" 1
429 1 37 GLU H 1 37 GLU QG 3.500 . 3.800 2.505 2.014 3.746 . 0 0 "[ . 1 . 2]" 1
430 1 37 GLU H 1 37 GLU HG3 3.500 . 3.800 3.148 2.330 4.457 0.657 17 1 "[ . 1 . + 2]" 1
431 1 37 GLU H 1 38 ALA H 3.500 . 3.800 2.571 2.123 3.183 . 0 0 "[ . 1 . 2]" 1
432 1 37 GLU H 1 38 ALA MB 4.500 . 5.000 3.748 3.306 3.940 . 0 0 "[ . 1 . 2]" 1
433 1 37 GLU QB 1 38 ALA H 4.500 . 5.000 3.804 2.895 4.048 . 0 0 "[ . 1 . 2]" 1
434 1 37 GLU QG 1 38 ALA MB 4.500 . 5.000 4.441 3.702 5.028 0.028 1 0 "[ . 1 . 2]" 1
435 1 37 GLU HG2 1 38 ALA H 4.500 . 5.000 4.524 3.693 5.008 0.008 1 0 "[ . 1 . 2]" 1
436 1 37 GLU HG3 1 38 ALA H 4.500 . 5.000 4.444 3.649 5.012 0.012 1 0 "[ . 1 . 2]" 1
437 1 38 ALA H 1 39 ARG H 4.500 . 5.000 4.320 2.579 4.598 . 0 0 "[ . 1 . 2]" 1
438 1 38 ALA HA 1 39 ARG H 2.500 . 2.800 2.526 2.208 2.924 0.124 14 0 "[ . 1 . 2]" 1
439 1 38 ALA HA 1 39 ARG QB 4.500 . 5.000 4.016 3.821 4.681 . 0 0 "[ . 1 . 2]" 1
440 1 38 ALA MB 1 39 ARG H 3.500 . 3.800 2.375 1.960 3.675 . 0 0 "[ . 1 . 2]" 1
441 1 38 ALA MB 1 40 HIS H 5.200 . 5.700 5.100 4.226 6.022 0.322 14 0 "[ . 1 . 2]" 1
442 1 39 ARG H 1 39 ARG QB 3.500 . 3.800 2.693 2.489 3.181 . 0 0 "[ . 1 . 2]" 1
443 1 39 ARG H 1 39 ARG QD 4.500 . 5.000 4.436 2.483 4.966 . 0 0 "[ . 1 . 2]" 1
444 1 39 ARG H 1 39 ARG QG 4.500 . 5.000 3.894 2.291 4.303 . 0 0 "[ . 1 . 2]" 1
445 1 39 ARG H 1 40 HIS H 4.500 . 5.000 4.265 3.489 4.476 . 0 0 "[ . 1 . 2]" 1
446 1 39 ARG HA 1 39 ARG QD 4.500 . 5.000 3.399 1.992 4.243 . 0 0 "[ . 1 . 2]" 1
447 1 39 ARG HA 1 39 ARG QG 3.500 . 3.800 2.601 2.088 3.362 . 0 0 "[ . 1 . 2]" 1
448 1 39 ARG HA 1 40 HIS H 3.500 . 3.800 2.292 2.157 2.747 . 0 0 "[ . 1 . 2]" 1
449 1 39 ARG QB 1 40 HIS H 4.500 . 5.000 3.370 1.949 4.037 . 0 0 "[ . 1 . 2]" 1
450 1 39 ARG QG 1 40 HIS H 4.500 . 5.000 2.622 1.948 3.965 . 0 0 "[ . 1 . 2]" 1
451 1 39 ARG QG 1 41 GLY H 5.200 . 5.700 4.808 4.017 5.010 . 0 0 "[ . 1 . 2]" 1
452 1 40 HIS H 1 41 GLY H 4.500 . 5.000 4.305 3.171 4.572 . 0 0 "[ . 1 . 2]" 1
453 1 40 HIS H 1 41 GLY QA 5.200 . 5.700 4.592 3.904 4.905 . 0 0 "[ . 1 . 2]" 1
454 1 40 HIS HA 1 41 GLY H 3.500 . 3.800 2.211 2.152 2.331 . 0 0 "[ . 1 . 2]" 1
455 1 40 HIS QB 1 41 GLY H 4.500 . 5.000 3.352 2.609 3.872 . 0 0 "[ . 1 . 2]" 1
456 1 40 HIS QB 1 42 PHE QE 4.500 . 5.000 4.689 2.514 6.020 1.020 16 3 "[ . - 1 *.+ 2]" 1
457 1 41 GLY H 1 42 PHE H 3.500 . 3.800 2.363 1.816 3.380 . 0 0 "[ . 1 . 2]" 1
458 1 41 GLY H 1 42 PHE HB2 5.200 . 5.700 4.699 4.382 5.454 . 0 0 "[ . 1 . 2]" 1
459 1 41 GLY H 1 42 PHE HB3 4.500 . 5.000 5.264 5.052 5.705 0.705 8 4 "[ . + 1 * -.* 2]" 1
460 1 42 PHE H 1 43 GLU H 4.500 . 5.000 4.463 4.207 4.606 . 0 0 "[ . 1 . 2]" 1
461 1 42 PHE HA 1 43 GLU H 3.500 . 3.800 2.211 2.158 2.269 . 0 0 "[ . 1 . 2]" 1
462 1 42 PHE HB2 1 43 GLU H 3.500 . 3.800 3.667 3.471 3.712 . 0 0 "[ . 1 . 2]" 1
463 1 42 PHE HB2 1 67 ILE MD 3.500 . 3.800 1.838 1.799 2.000 0.001 1 0 "[ . 1 . 2]" 1
464 1 42 PHE HB3 1 43 GLU H 3.500 . 3.800 3.116 2.824 3.450 . 0 0 "[ . 1 . 2]" 1
465 1 42 PHE HB3 1 46 ASP H 5.200 . 5.700 4.340 4.117 4.934 . 0 0 "[ . 1 . 2]" 1
466 1 42 PHE HB3 1 67 ILE MD 3.500 . 3.800 2.477 2.042 2.872 . 0 0 "[ . 1 . 2]" 1
467 1 42 PHE HB3 1 69 VAL MG1 4.500 . 5.000 4.574 4.116 5.001 0.001 14 0 "[ . 1 . 2]" 1
468 1 42 PHE QD 1 43 GLU H 4.500 . 5.000 4.484 4.107 4.823 . 0 0 "[ . 1 . 2]" 1
469 1 42 PHE QD 1 67 ILE MD 4.500 . 5.000 2.662 1.976 3.399 . 0 0 "[ . 1 . 2]" 1
470 1 42 PHE QD 1 67 ILE QG 5.200 . 5.700 3.658 3.002 4.429 . 0 0 "[ . 1 . 2]" 1
471 1 42 PHE QE 1 67 ILE MD 5.200 . 5.700 4.578 4.055 5.114 . 0 0 "[ . 1 . 2]" 1
472 1 42 PHE QE 1 92 VAL QG 4.500 . 5.000 2.312 1.916 3.045 . 0 0 "[ . 1 . 2]" 1
473 1 42 PHE QE 1 94 GLN QB 4.500 . 5.000 2.388 1.973 3.059 . 0 0 "[ . 1 . 2]" 1
474 1 42 PHE HZ 1 92 VAL QG 3.500 . 3.800 2.822 2.238 3.626 . 0 0 "[ . 1 . 2]" 1
475 1 42 PHE HZ 1 93 SER H 5.200 . 5.700 5.374 4.548 6.003 0.303 11 0 "[ . 1 . 2]" 1
476 1 43 GLU H 1 43 GLU HB2 3.500 . 3.800 2.459 2.152 3.686 . 0 0 "[ . 1 . 2]" 1
477 1 43 GLU H 1 43 GLU QB 3.500 . 3.800 2.308 2.117 2.860 . 0 0 "[ . 1 . 2]" 1
478 1 43 GLU H 1 43 GLU HB3 3.500 . 3.800 3.138 2.722 3.561 . 0 0 "[ . 1 . 2]" 1
479 1 43 GLU H 1 43 GLU QG 4.500 . 5.000 3.615 2.028 4.208 . 0 0 "[ . 1 . 2]" 1
480 1 43 GLU H 1 46 ASP H 4.500 . 5.000 4.115 3.398 4.456 . 0 0 "[ . 1 . 2]" 1
481 1 43 GLU H 1 46 ASP HB3 4.500 . 5.000 3.857 3.148 4.363 . 0 0 "[ . 1 . 2]" 1
482 1 43 GLU H 1 67 ILE MD 3.500 . 3.800 3.532 2.635 3.907 0.107 11 0 "[ . 1 . 2]" 1
483 1 43 GLU H 1 67 ILE QG 4.500 . 5.000 4.988 4.160 5.347 0.347 11 0 "[ . 1 . 2]" 1
484 1 43 GLU H 1 69 VAL MG1 4.500 . 5.000 4.435 4.028 4.886 . 0 0 "[ . 1 . 2]" 1
485 1 43 GLU QB 1 44 THR H 3.500 . 3.800 2.603 2.144 3.342 . 0 0 "[ . 1 . 2]" 1
486 1 43 GLU HB2 1 44 THR H 4.500 . 5.000 3.697 2.166 4.123 . 0 0 "[ . 1 . 2]" 1
487 1 43 GLU HB3 1 44 THR H 4.500 . 5.000 2.802 2.159 3.698 . 0 0 "[ . 1 . 2]" 1
488 1 43 GLU QG 1 44 THR H 3.500 . 3.800 2.719 1.968 3.569 . 0 0 "[ . 1 . 2]" 1
489 1 44 THR H 1 44 THR HB 3.500 . 3.800 3.000 2.591 3.591 . 0 0 "[ . 1 . 2]" 1
490 1 44 THR H 1 44 THR MG 3.500 . 3.800 3.278 1.980 3.748 . 0 0 "[ . 1 . 2]" 1
491 1 44 THR H 1 45 GLY H 4.500 . 5.000 4.273 4.114 4.361 . 0 0 "[ . 1 . 2]" 1
492 1 44 THR H 1 67 ILE MD 4.500 . 5.000 4.557 4.190 4.877 . 0 0 "[ . 1 . 2]" 1
493 1 44 THR H 1 69 VAL MG1 3.500 . 3.800 3.860 3.131 4.737 0.937 3 3 "[ + . * - . 2]" 1
494 1 44 THR H 1 69 VAL MG2 4.500 . 5.000 2.917 1.954 3.857 . 0 0 "[ . 1 . 2]" 1
495 1 44 THR HA 1 44 THR MG 3.500 . 3.800 2.298 2.016 3.201 . 0 0 "[ . 1 . 2]" 1
496 1 44 THR HA 1 45 GLY H 3.500 . 3.800 2.199 2.167 2.278 . 0 0 "[ . 1 . 2]" 1
497 1 44 THR HA 1 46 ASP H 4.500 . 5.000 3.761 3.635 3.910 . 0 0 "[ . 1 . 2]" 1
498 1 44 THR HA 1 68 LYS H 5.200 . 5.700 5.233 4.373 5.709 0.009 3 0 "[ . 1 . 2]" 1
499 1 44 THR HA 1 68 LYS HA 3.500 . 3.800 2.789 1.983 3.302 . 0 0 "[ . 1 . 2]" 1
500 1 44 THR HA 1 69 VAL H 3.500 . 3.800 2.955 2.487 3.366 . 0 0 "[ . 1 . 2]" 1
501 1 44 THR HA 1 69 VAL MG1 4.500 . 5.000 3.558 3.285 3.910 . 0 0 "[ . 1 . 2]" 1
502 1 44 THR HB 1 45 GLY H 4.500 . 5.000 4.201 3.796 4.426 . 0 0 "[ . 1 . 2]" 1
503 1 44 THR HB 1 69 VAL H 4.500 . 5.000 4.836 2.111 5.824 0.824 3 3 "[ + . - * . 2]" 1
504 1 44 THR HB 1 69 VAL MG2 4.500 . 5.000 4.124 2.203 4.965 . 0 0 "[ . 1 . 2]" 1
505 1 44 THR MG 1 45 GLY H 3.500 . 3.800 3.607 3.191 4.280 0.480 17 0 "[ . 1 . 2]" 1
506 1 44 THR MG 1 68 LYS H 4.500 . 5.000 5.464 4.691 6.611 1.611 17 9 "[ **. * **- *.*+ 2]" 1
507 1 44 THR MG 1 68 LYS QB 4.500 . 5.000 3.932 2.857 5.000 . 0 0 "[ . 1 . 2]" 1
508 1 44 THR MG 1 69 VAL H 3.500 . 3.800 2.827 1.904 3.652 . 0 0 "[ . 1 . 2]" 1
509 1 45 GLY H 1 46 ASP H 3.500 . 3.800 2.052 1.960 2.228 . 0 0 "[ . 1 . 2]" 1
510 1 45 GLY H 1 46 ASP HB2 4.500 . 5.000 4.005 3.858 4.244 . 0 0 "[ . 1 . 2]" 1
511 1 45 GLY H 1 66 GLU HG2 4.500 . 5.000 4.013 3.559 4.697 . 0 0 "[ . 1 . 2]" 1
512 1 45 GLY H 1 66 GLU QG 4.500 . 5.000 3.613 3.384 4.010 . 0 0 "[ . 1 . 2]" 1
513 1 45 GLY H 1 66 GLU HG3 4.500 . 5.000 4.208 3.656 4.876 . 0 0 "[ . 1 . 2]" 1
514 1 45 GLY H 1 67 ILE H 4.500 . 5.000 3.813 3.616 4.216 . 0 0 "[ . 1 . 2]" 1
515 1 45 GLY H 1 67 ILE QG 4.500 . 5.000 3.114 2.580 3.409 . 0 0 "[ . 1 . 2]" 1
516 1 45 GLY H 1 69 VAL H 4.500 . 5.000 4.589 4.372 4.766 . 0 0 "[ . 1 . 2]" 1
517 1 45 GLY H 1 69 VAL MG1 4.500 . 5.000 4.581 4.266 4.811 . 0 0 "[ . 1 . 2]" 1
518 1 45 GLY H 1 69 VAL MG2 4.500 . 5.000 4.803 4.269 5.005 0.005 9 0 "[ . 1 . 2]" 1
519 1 45 GLY HA2 1 66 GLU HG2 4.500 . 5.000 4.176 3.444 5.058 0.058 7 0 "[ . 1 . 2]" 1
520 1 45 GLY HA2 1 66 GLU QG 3.500 . 3.800 3.633 3.019 4.356 0.556 7 1 "[ . + 1 . 2]" 1
521 1 45 GLY HA2 1 66 GLU HG3 4.500 . 5.000 4.030 3.338 4.754 . 0 0 "[ . 1 . 2]" 1
522 1 45 GLY HA2 1 67 ILE H 5.200 . 5.700 5.309 4.743 5.817 0.117 14 0 "[ . 1 . 2]" 1
523 1 45 GLY HA3 1 46 ASP H 3.500 . 3.800 3.224 2.991 3.430 . 0 0 "[ . 1 . 2]" 1
524 1 45 GLY HA3 1 66 GLU HG2 5.200 . 5.700 2.545 1.997 3.374 . 0 0 "[ . 1 . 2]" 1
525 1 45 GLY HA3 1 66 GLU HG3 5.200 . 5.700 2.684 2.040 3.336 . 0 0 "[ . 1 . 2]" 1
526 1 45 GLY HA3 1 67 ILE QG 4.500 . 5.000 4.257 3.516 4.799 . 0 0 "[ . 1 . 2]" 1
527 1 46 ASP H 1 46 ASP HB2 3.500 . 3.800 2.216 2.070 2.539 . 0 0 "[ . 1 . 2]" 1
528 1 46 ASP H 1 46 ASP HB3 3.500 . 3.800 2.993 2.752 3.268 . 0 0 "[ . 1 . 2]" 1
529 1 46 ASP H 1 47 PHE H 4.500 . 5.000 4.551 4.473 4.644 . 0 0 "[ . 1 . 2]" 1
530 1 46 ASP H 1 48 VAL MG1 5.200 . 5.700 5.364 4.842 5.781 0.081 15 0 "[ . 1 . 2]" 1
531 1 46 ASP H 1 66 GLU QG 4.500 . 5.000 3.804 3.402 4.152 . 0 0 "[ . 1 . 2]" 1
532 1 46 ASP H 1 67 ILE MD 3.500 . 3.800 2.757 2.476 3.127 . 0 0 "[ . 1 . 2]" 1
533 1 46 ASP H 1 67 ILE QG 3.500 . 3.800 2.623 1.958 3.127 . 0 0 "[ . 1 . 2]" 1
534 1 46 ASP H 1 67 ILE MG 5.200 . 5.700 5.063 4.363 5.599 . 0 0 "[ . 1 . 2]" 1
535 1 46 ASP H 1 69 VAL H 5.200 . 5.700 6.002 5.934 6.021 0.321 17 0 "[ . 1 . 2]" 1
536 1 46 ASP H 1 69 VAL MG1 4.500 . 5.000 4.945 4.804 5.009 0.009 8 0 "[ . 1 . 2]" 1
537 1 46 ASP H 1 69 VAL MG2 5.200 . 5.700 5.659 5.207 5.942 0.242 13 0 "[ . 1 . 2]" 1
538 1 46 ASP HA 1 47 PHE H 3.500 . 3.800 2.586 2.440 2.780 . 0 0 "[ . 1 . 2]" 1
539 1 46 ASP HA 1 67 ILE H 4.500 . 5.000 4.887 4.681 5.006 0.006 1 0 "[ . 1 . 2]" 1
540 1 46 ASP HA 1 67 ILE QG 5.200 . 5.700 4.102 3.900 4.235 . 0 0 "[ . 1 . 2]" 1
541 1 46 ASP HB2 1 47 PHE H 4.500 . 5.000 3.798 3.589 4.009 . 0 0 "[ . 1 . 2]" 1
542 1 46 ASP HB2 1 67 ILE MD 4.500 . 5.000 2.455 2.061 2.894 . 0 0 "[ . 1 . 2]" 1
543 1 46 ASP HB2 1 67 ILE QG 4.500 . 5.000 3.225 2.799 3.585 . 0 0 "[ . 1 . 2]" 1
544 1 46 ASP HB3 1 47 PHE H 4.500 . 5.000 2.723 2.313 3.265 . 0 0 "[ . 1 . 2]" 1
545 1 46 ASP HB3 1 67 ILE H 5.200 . 5.700 4.268 3.964 4.553 . 0 0 "[ . 1 . 2]" 1
546 1 46 ASP HB3 1 67 ILE MD 4.500 . 5.000 2.488 2.200 2.783 . 0 0 "[ . 1 . 2]" 1
547 1 46 ASP HB3 1 67 ILE QG 4.500 . 5.000 2.371 2.013 2.627 . 0 0 "[ . 1 . 2]" 1
548 1 47 PHE H 1 47 PHE HB2 3.500 . 3.800 2.592 2.421 2.765 . 0 0 "[ . 1 . 2]" 1
549 1 47 PHE H 1 47 PHE HB3 3.500 . 3.800 3.746 3.625 3.848 0.048 17 0 "[ . 1 . 2]" 1
550 1 47 PHE H 1 47 PHE QD 3.500 . 3.800 2.978 2.347 3.385 . 0 0 "[ . 1 . 2]" 1
551 1 47 PHE H 1 47 PHE QE 5.200 . 5.700 4.980 4.631 5.224 . 0 0 "[ . 1 . 2]" 1
552 1 47 PHE H 1 48 VAL MG1 4.500 . 5.000 3.741 3.461 3.938 . 0 0 "[ . 1 . 2]" 1
553 1 47 PHE H 1 66 GLU HA 4.500 . 5.000 4.943 4.643 5.026 0.026 2 0 "[ . 1 . 2]" 1
554 1 47 PHE H 1 67 ILE H 5.200 . 5.700 5.051 4.845 5.332 . 0 0 "[ . 1 . 2]" 1
555 1 47 PHE H 1 67 ILE MG 5.200 . 5.700 4.995 4.890 5.012 . 0 0 "[ . 1 . 2]" 1
556 1 47 PHE H 1 94 GLN HA 5.200 . 5.700 4.662 4.351 4.949 . 0 0 "[ . 1 . 2]" 1
557 1 47 PHE H 1 95 VAL H 4.500 . 5.000 4.971 4.666 5.032 0.032 17 0 "[ . 1 . 2]" 1
558 1 47 PHE H 1 95 VAL QG 5.200 . 5.700 3.925 3.166 4.741 . 0 0 "[ . 1 . 2]" 1
559 1 47 PHE HA 1 48 VAL H 3.500 . 3.800 2.235 2.142 2.389 . 0 0 "[ . 1 . 2]" 1
560 1 47 PHE HA 1 48 VAL MG2 4.500 . 5.000 3.696 3.488 3.953 . 0 0 "[ . 1 . 2]" 1
561 1 47 PHE HA 1 65 MET H 4.500 . 5.000 4.143 3.681 4.592 . 0 0 "[ . 1 . 2]" 1
562 1 47 PHE HA 1 66 GLU H 4.500 . 5.000 4.828 4.551 4.986 . 0 0 "[ . 1 . 2]" 1
563 1 47 PHE HA 1 66 GLU HA 3.500 . 3.800 2.653 2.124 3.027 . 0 0 "[ . 1 . 2]" 1
564 1 47 PHE HA 1 67 ILE H 4.500 . 5.000 3.676 3.228 4.162 . 0 0 "[ . 1 . 2]" 1
565 1 47 PHE HB2 1 48 VAL H 4.500 . 5.000 4.033 3.662 4.348 . 0 0 "[ . 1 . 2]" 1
566 1 47 PHE HB2 1 64 PRO HB2 5.200 . 5.700 4.058 3.817 4.673 . 0 0 "[ . 1 . 2]" 1
567 1 47 PHE HB2 1 64 PRO HB3 4.500 . 5.000 5.013 5.004 5.024 0.024 5 0 "[ . 1 . 2]" 1
568 1 47 PHE HB2 1 64 PRO QG 5.200 . 5.700 4.512 4.208 5.063 . 0 0 "[ . 1 . 2]" 1
569 1 47 PHE HB2 1 95 VAL HB 4.500 . 5.000 4.665 3.651 5.007 0.007 14 0 "[ . 1 . 2]" 1
570 1 47 PHE HB2 1 95 VAL MG1 4.500 . 5.000 4.022 2.520 4.858 . 0 0 "[ . 1 . 2]" 1
571 1 47 PHE HB2 1 95 VAL QG 4.500 . 5.000 2.208 1.790 2.756 0.010 11 0 "[ . 1 . 2]" 1
572 1 47 PHE HB2 1 95 VAL MG2 4.500 . 5.000 2.558 1.811 5.004 0.004 7 0 "[ . 1 . 2]" 1
573 1 47 PHE HB3 1 48 VAL H 4.500 . 5.000 2.942 2.454 3.422 . 0 0 "[ . 1 . 2]" 1
574 1 47 PHE HB3 1 95 VAL H 4.500 . 5.000 4.213 3.832 4.678 . 0 0 "[ . 1 . 2]" 1
575 1 47 PHE HB3 1 95 VAL MG1 4.500 . 5.000 3.587 2.263 4.328 . 0 0 "[ . 1 . 2]" 1
576 1 47 PHE HB3 1 95 VAL MG2 4.500 . 5.000 2.557 1.906 4.753 . 0 0 "[ . 1 . 2]" 1
577 1 47 PHE QD 1 48 VAL H 4.500 . 5.000 3.828 3.545 4.092 . 0 0 "[ . 1 . 2]" 1
578 1 47 PHE QD 1 64 PRO HB3 4.500 . 5.000 4.875 4.034 5.009 0.009 7 0 "[ . 1 . 2]" 1
579 1 47 PHE QD 1 65 MET H 4.500 . 5.000 3.973 3.231 4.433 . 0 0 "[ . 1 . 2]" 1
580 1 47 PHE QD 1 66 GLU H 4.500 . 5.000 4.416 3.996 4.994 . 0 0 "[ . 1 . 2]" 1
581 1 47 PHE QE 1 48 VAL H 5.200 . 5.700 5.928 5.682 6.119 0.419 20 0 "[ . 1 . 2]" 1
582 1 47 PHE QE 1 66 GLU H 4.500 . 5.000 4.864 4.338 5.006 0.006 12 0 "[ . 1 . 2]" 1
583 1 47 PHE QE 1 66 GLU QB 4.500 . 5.000 3.603 3.056 4.017 . 0 0 "[ . 1 . 2]" 1
584 1 47 PHE QE 1 66 GLU QG 5.200 . 5.700 4.171 3.227 4.983 . 0 0 "[ . 1 . 2]" 1
585 1 48 VAL H 1 48 VAL MG1 4.500 . 5.000 2.998 2.824 3.172 . 0 0 "[ . 1 . 2]" 1
586 1 48 VAL H 1 48 VAL MG2 3.500 . 3.800 2.341 2.148 2.521 . 0 0 "[ . 1 . 2]" 1
587 1 48 VAL H 1 49 SER H 4.500 . 5.000 4.357 4.247 4.453 . 0 0 "[ . 1 . 2]" 1
588 1 48 VAL H 1 64 PRO HA 4.500 . 5.000 4.323 3.953 4.624 . 0 0 "[ . 1 . 2]" 1
589 1 48 VAL H 1 64 PRO HB3 4.500 . 5.000 3.915 3.288 4.392 . 0 0 "[ . 1 . 2]" 1
590 1 48 VAL H 1 64 PRO QG 5.200 . 5.700 4.887 4.323 5.268 . 0 0 "[ . 1 . 2]" 1
591 1 48 VAL H 1 65 MET H 3.500 . 3.800 2.619 2.284 3.099 . 0 0 "[ . 1 . 2]" 1
592 1 48 VAL H 1 65 MET HA 4.500 . 5.000 4.650 4.451 4.917 . 0 0 "[ . 1 . 2]" 1
593 1 48 VAL H 1 65 MET ME 5.200 . 5.700 4.636 4.349 4.875 . 0 0 "[ . 1 . 2]" 1
594 1 48 VAL H 1 65 MET HG3 4.500 . 5.000 4.481 4.176 4.716 . 0 0 "[ . 1 . 2]" 1
595 1 48 VAL H 1 66 GLU H 5.200 . 5.700 5.073 4.728 5.274 . 0 0 "[ . 1 . 2]" 1
596 1 48 VAL H 1 66 GLU HA 4.500 . 5.000 3.973 3.581 4.283 . 0 0 "[ . 1 . 2]" 1
597 1 48 VAL H 1 67 ILE H 5.200 . 5.700 4.867 4.426 5.009 . 0 0 "[ . 1 . 2]" 1
598 1 48 VAL H 1 67 ILE MG 4.500 . 5.000 3.490 3.253 3.928 . 0 0 "[ . 1 . 2]" 1
599 1 48 VAL H 1 95 VAL QG 4.500 . 5.000 3.625 3.195 4.565 . 0 0 "[ . 1 . 2]" 1
600 1 48 VAL HA 1 48 VAL MG1 3.500 . 3.800 2.375 2.314 2.480 . 0 0 "[ . 1 . 2]" 1
601 1 48 VAL HA 1 49 SER H 3.500 . 3.800 2.259 2.167 2.348 . 0 0 "[ . 1 . 2]" 1
602 1 48 VAL HA 1 92 VAL QG 4.500 . 5.000 3.621 3.200 3.770 . 0 0 "[ . 1 . 2]" 1
603 1 48 VAL HA 1 95 VAL H 3.500 . 3.800 2.608 1.816 3.157 . 0 0 "[ . 1 . 2]" 1
604 1 48 VAL HA 1 95 VAL QG 3.500 . 3.800 3.163 2.422 4.150 0.350 20 0 "[ . 1 . 2]" 1
605 1 48 VAL HB 1 49 SER H 3.500 . 3.800 2.739 2.499 3.082 . 0 0 "[ . 1 . 2]" 1
606 1 48 VAL HB 1 65 MET H 5.200 . 5.700 5.376 4.845 5.862 0.162 18 0 "[ . 1 . 2]" 1
607 1 48 VAL HB 1 92 VAL QG 3.500 . 3.800 1.825 1.796 1.871 0.004 17 0 "[ . 1 . 2]" 1
608 1 48 VAL HB 1 93 SER H 3.500 . 3.800 3.384 3.009 3.688 . 0 0 "[ . 1 . 2]" 1
609 1 48 VAL MG1 1 49 SER H 3.500 . 3.800 3.831 3.620 4.022 0.222 19 0 "[ . 1 . 2]" 1
610 1 48 VAL MG1 1 67 ILE H 4.500 . 5.000 4.344 4.000 4.765 . 0 0 "[ . 1 . 2]" 1
611 1 48 VAL MG1 1 67 ILE MG 3.500 . 3.800 1.970 1.788 2.728 0.012 15 0 "[ . 1 . 2]" 1
612 1 48 VAL MG1 1 92 VAL QG 3.500 . 3.800 2.176 1.993 2.376 . 0 0 "[ . 1 . 2]" 1
613 1 48 VAL MG1 1 93 SER H 4.500 . 5.000 4.341 4.010 4.599 . 0 0 "[ . 1 . 2]" 1
614 1 48 VAL MG1 1 94 GLN HA 3.500 . 3.800 2.731 2.077 3.218 . 0 0 "[ . 1 . 2]" 1
615 1 48 VAL MG1 1 94 GLN QB 4.500 . 5.000 3.699 2.886 4.468 . 0 0 "[ . 1 . 2]" 1
616 1 48 VAL MG1 1 95 VAL H 3.500 . 3.800 3.899 3.128 4.508 0.708 2 3 "[ + . 1 * - 2]" 1
617 1 48 VAL MG1 1 95 VAL QG 4.500 . 5.000 4.149 3.562 4.996 . 0 0 "[ . 1 . 2]" 1
618 1 48 VAL MG2 1 49 SER H 3.500 . 3.800 3.576 3.327 3.760 . 0 0 "[ . 1 . 2]" 1
619 1 48 VAL MG2 1 50 PHE H 5.200 . 5.700 5.280 5.094 5.463 . 0 0 "[ . 1 . 2]" 1
620 1 48 VAL MG2 1 65 MET H 4.500 . 5.000 3.386 2.883 3.906 . 0 0 "[ . 1 . 2]" 1
621 1 48 VAL MG2 1 65 MET HG2 4.500 . 5.000 2.799 2.025 3.435 . 0 0 "[ . 1 . 2]" 1
622 1 48 VAL MG2 1 65 MET HG3 4.500 . 5.000 3.186 2.720 3.592 . 0 0 "[ . 1 . 2]" 1
623 1 48 VAL MG2 1 67 ILE H 4.500 . 5.000 4.283 3.917 4.682 . 0 0 "[ . 1 . 2]" 1
624 1 48 VAL MG2 1 67 ILE MG 3.500 . 3.800 1.774 1.763 1.787 0.037 19 0 "[ . 1 . 2]" 1
625 1 48 VAL MG2 1 75 PHE QE 4.500 . 5.000 3.623 3.291 4.002 . 0 0 "[ . 1 . 2]" 1
626 1 48 VAL MG2 1 77 ILE MG 4.500 . 5.000 2.868 2.499 3.359 . 0 0 "[ . 1 . 2]" 1
627 1 48 VAL MG2 1 78 CYS H 5.200 . 5.700 4.855 4.306 5.483 . 0 0 "[ . 1 . 2]" 1
628 1 48 VAL MG2 1 93 SER H 4.500 . 5.000 4.624 4.221 5.006 0.006 16 0 "[ . 1 . 2]" 1
629 1 48 VAL MG2 1 95 VAL H 5.200 . 5.700 5.278 4.676 5.675 . 0 0 "[ . 1 . 2]" 1
630 1 49 SER H 1 50 PHE HA 4.500 . 5.000 4.953 4.846 5.044 0.044 18 0 "[ . 1 . 2]" 1
631 1 49 SER H 1 50 PHE QD 4.500 . 5.000 4.697 4.321 4.892 . 0 0 "[ . 1 . 2]" 1
632 1 49 SER H 1 64 PRO HB2 4.500 . 5.000 5.024 5.012 5.041 0.041 11 0 "[ . 1 . 2]" 1
633 1 49 SER H 1 65 MET H 5.200 . 5.700 5.008 4.627 5.206 . 0 0 "[ . 1 . 2]" 1
634 1 49 SER H 1 65 MET ME 5.200 . 5.700 4.984 4.555 5.178 . 0 0 "[ . 1 . 2]" 1
635 1 49 SER H 1 92 VAL HA 4.500 . 5.000 4.032 3.587 4.363 . 0 0 "[ . 1 . 2]" 1
636 1 49 SER H 1 92 VAL QG 3.500 . 3.800 3.502 2.894 3.798 . 0 0 "[ . 1 . 2]" 1
637 1 49 SER H 1 93 SER H 3.500 . 3.800 2.799 2.261 3.167 . 0 0 "[ . 1 . 2]" 1
638 1 49 SER H 1 93 SER HB2 5.200 . 5.700 3.881 3.376 4.323 . 0 0 "[ . 1 . 2]" 1
639 1 49 SER H 1 93 SER HB3 4.500 . 5.000 4.825 4.307 5.006 0.006 12 0 "[ . 1 . 2]" 1
640 1 49 SER H 1 94 GLN HA 4.500 . 5.000 4.271 3.804 4.683 . 0 0 "[ . 1 . 2]" 1
641 1 49 SER H 1 95 VAL QG 3.500 . 3.800 3.420 2.856 4.149 0.349 19 0 "[ . 1 . 2]" 1
642 1 49 SER HB2 1 50 PHE H 4.500 . 5.000 2.692 2.439 3.381 . 0 0 "[ . 1 . 2]" 1
643 1 49 SER HB2 1 95 VAL QG 4.500 . 5.000 3.515 2.936 4.917 . 0 0 "[ . 1 . 2]" 1
644 1 49 SER HB3 1 50 PHE H 4.500 . 5.000 3.937 3.783 4.058 . 0 0 "[ . 1 . 2]" 1
645 1 49 SER HB3 1 65 MET H 5.200 . 5.700 4.963 4.593 5.030 . 0 0 "[ . 1 . 2]" 1
646 1 49 SER HB3 1 95 VAL QG 3.500 . 3.800 2.337 1.861 3.605 . 0 0 "[ . 1 . 2]" 1
647 1 50 PHE H 1 50 PHE HB2 3.500 . 3.800 2.264 2.233 2.316 . 0 0 "[ . 1 . 2]" 1
648 1 50 PHE H 1 50 PHE HB3 3.500 . 3.800 3.504 3.454 3.573 . 0 0 "[ . 1 . 2]" 1
649 1 50 PHE H 1 50 PHE QD 3.500 . 3.800 3.153 2.859 3.330 . 0 0 "[ . 1 . 2]" 1
650 1 50 PHE H 1 51 SER H 4.500 . 5.000 4.545 4.516 4.566 . 0 0 "[ . 1 . 2]" 1
651 1 50 PHE H 1 59 LEU HB2 4.500 . 5.000 5.025 5.011 5.039 0.039 5 0 "[ . 1 . 2]" 1
652 1 50 PHE H 1 59 LEU HB3 4.500 . 5.000 4.205 4.080 4.296 . 0 0 "[ . 1 . 2]" 1
653 1 50 PHE H 1 62 CYS H 5.200 . 5.700 5.523 5.156 5.861 0.161 6 0 "[ . 1 . 2]" 1
654 1 50 PHE H 1 65 MET ME 4.500 . 5.000 3.427 3.056 3.582 . 0 0 "[ . 1 . 2]" 1
655 1 50 PHE H 1 92 VAL HA 5.200 . 5.700 5.525 5.244 5.678 . 0 0 "[ . 1 . 2]" 1
656 1 50 PHE H 1 92 VAL QG 4.500 . 5.000 5.595 5.169 5.733 0.733 11 14 "[*** * * 1+******- *]" 1
657 1 50 PHE H 1 95 VAL QG 5.200 . 5.700 5.415 4.989 6.520 0.820 17 3 "[ . 1* . + -2]" 1
658 1 50 PHE HA 1 51 SER H 3.500 . 3.800 2.240 2.189 2.361 . 0 0 "[ . 1 . 2]" 1
659 1 50 PHE HA 1 91 ILE H 4.500 . 5.000 3.934 3.531 4.317 . 0 0 "[ . 1 . 2]" 1
660 1 50 PHE HA 1 93 SER H 4.500 . 5.000 4.458 4.278 4.656 . 0 0 "[ . 1 . 2]" 1
661 1 50 PHE HB2 1 51 SER H 4.500 . 5.000 4.200 3.921 4.329 . 0 0 "[ . 1 . 2]" 1
662 1 50 PHE HB2 1 53 VAL MG2 4.500 . 5.000 3.360 3.038 3.680 . 0 0 "[ . 1 . 2]" 1
663 1 50 PHE HB2 1 59 LEU HB2 4.500 . 5.000 3.172 3.068 3.306 . 0 0 "[ . 1 . 2]" 1
664 1 50 PHE HB2 1 59 LEU HB3 4.500 . 5.000 3.095 2.902 3.361 . 0 0 "[ . 1 . 2]" 1
665 1 50 PHE HB2 1 59 LEU HG 5.200 . 5.700 5.028 4.834 5.218 . 0 0 "[ . 1 . 2]" 1
666 1 50 PHE HB2 1 60 ASN H 4.500 . 5.000 2.927 2.741 3.199 . 0 0 "[ . 1 . 2]" 1
667 1 50 PHE HB2 1 61 GLY H 5.200 . 5.700 4.954 4.827 5.072 . 0 0 "[ . 1 . 2]" 1
668 1 50 PHE HB2 1 65 MET ME 4.500 . 5.000 3.650 3.558 3.789 . 0 0 "[ . 1 . 2]" 1
669 1 50 PHE HB3 1 51 SER H 3.500 . 3.800 3.014 2.586 3.230 . 0 0 "[ . 1 . 2]" 1
670 1 50 PHE HB3 1 53 VAL MG2 4.500 . 5.000 2.003 1.831 2.313 . 0 0 "[ . 1 . 2]" 1
671 1 50 PHE HB3 1 59 LEU H 5.200 . 5.700 5.504 5.316 5.793 0.093 19 0 "[ . 1 . 2]" 1
672 1 50 PHE HB3 1 60 ASN H 3.500 . 3.800 3.458 3.251 3.704 . 0 0 "[ . 1 . 2]" 1
673 1 50 PHE QD 1 51 SER H 4.500 . 5.000 4.017 3.898 4.205 . 0 0 "[ . 1 . 2]" 1
674 1 50 PHE QD 1 53 VAL HB 4.500 . 5.000 3.086 2.672 3.491 . 0 0 "[ . 1 . 2]" 1
675 1 50 PHE QD 1 53 VAL MG1 3.500 . 3.800 2.989 2.792 3.331 . 0 0 "[ . 1 . 2]" 1
676 1 50 PHE QD 1 53 VAL MG2 3.500 . 3.800 1.933 1.822 2.244 . 0 0 "[ . 1 . 2]" 1
677 1 50 PHE QD 1 57 ILE HA 4.500 . 5.000 3.695 3.541 3.761 . 0 0 "[ . 1 . 2]" 1
678 1 50 PHE QD 1 59 LEU HA 5.200 . 5.700 5.055 4.979 5.162 . 0 0 "[ . 1 . 2]" 1
679 1 50 PHE QD 1 59 LEU HB2 4.500 . 5.000 2.349 2.190 2.498 . 0 0 "[ . 1 . 2]" 1
680 1 50 PHE QD 1 59 LEU HB3 4.500 . 5.000 3.398 3.223 3.545 . 0 0 "[ . 1 . 2]" 1
681 1 50 PHE QD 1 60 ASN H 3.500 . 3.800 3.102 2.798 3.554 . 0 0 "[ . 1 . 2]" 1
682 1 50 PHE QD 1 60 ASN HB2 4.500 . 5.000 3.484 2.997 3.900 . 0 0 "[ . 1 . 2]" 1
683 1 50 PHE QD 1 60 ASN HB3 4.500 . 5.000 4.629 4.066 5.019 0.019 9 0 "[ . 1 . 2]" 1
684 1 50 PHE QD 1 61 GLY H 5.200 . 5.700 5.676 5.378 5.995 0.295 17 0 "[ . 1 . 2]" 1
685 1 50 PHE QD 1 65 MET ME 4.500 . 5.000 3.452 3.068 3.734 . 0 0 "[ . 1 . 2]" 1
686 1 50 PHE QD 1 92 VAL QG 3.500 . 3.800 3.796 3.286 4.200 0.400 13 0 "[ . 1 . 2]" 1
687 1 50 PHE QD 1 93 SER H 4.500 . 5.000 4.871 4.657 5.020 0.020 15 0 "[ . 1 . 2]" 1
688 1 51 SER H 1 51 SER QB 3.500 . 3.800 2.364 2.249 2.444 . 0 0 "[ . 1 . 2]" 1
689 1 51 SER H 1 53 VAL HB 5.200 . 5.700 5.732 5.377 6.126 0.426 1 0 "[ . 1 . 2]" 1
690 1 51 SER H 1 53 VAL MG2 4.500 . 5.000 3.006 2.853 3.184 . 0 0 "[ . 1 . 2]" 1
691 1 51 SER H 1 91 ILE H 4.500 . 5.000 2.321 2.025 2.605 . 0 0 "[ . 1 . 2]" 1
692 1 51 SER H 1 91 ILE MG 4.500 . 5.000 4.822 4.623 5.030 0.030 20 0 "[ . 1 . 2]" 1
693 1 51 SER H 1 92 VAL HA 3.500 . 3.800 4.586 4.499 4.754 0.954 7 20 [******+*****-*******] 1
694 1 51 SER H 1 92 VAL QG 5.200 . 5.700 5.530 5.495 5.558 . 0 0 "[ . 1 . 2]" 1
695 1 51 SER H 1 93 SER H 5.200 . 5.700 5.384 4.984 5.856 0.156 7 0 "[ . 1 . 2]" 1
696 1 51 SER QB 1 52 GLU H 3.500 . 3.800 1.926 1.835 2.056 . 0 0 "[ . 1 . 2]" 1
697 1 51 SER QB 1 52 GLU QG 4.500 . 5.000 3.051 2.102 4.316 . 0 0 "[ . 1 . 2]" 1
698 1 51 SER HB2 1 52 GLU H 4.500 . 5.000 2.363 1.963 3.465 . 0 0 "[ . 1 . 2]" 1
699 1 51 SER HB3 1 52 GLU H 4.500 . 5.000 2.258 1.842 2.545 . 0 0 "[ . 1 . 2]" 1
700 1 52 GLU H 1 52 GLU QG 3.500 . 3.800 2.335 1.902 3.268 . 0 0 "[ . 1 . 2]" 1
701 1 52 GLU H 1 53 VAL H 4.500 . 5.000 3.880 3.810 3.946 . 0 0 "[ . 1 . 2]" 1
702 1 52 GLU H 1 53 VAL HA 5.200 . 5.700 4.793 4.696 4.919 . 0 0 "[ . 1 . 2]" 1
703 1 52 GLU H 1 53 VAL HB 5.200 . 5.700 5.964 5.711 6.140 0.440 1 0 "[ . 1 . 2]" 1
704 1 52 GLU H 1 53 VAL MG2 4.500 . 5.000 3.454 3.187 3.676 . 0 0 "[ . 1 . 2]" 1
705 1 52 GLU H 1 91 ILE H 4.500 . 5.000 2.684 2.320 2.899 . 0 0 "[ . 1 . 2]" 1
706 1 52 GLU H 1 91 ILE HB 4.500 . 5.000 3.694 3.555 3.815 . 0 0 "[ . 1 . 2]" 1
707 1 52 GLU H 1 91 ILE MD 5.200 . 5.700 2.808 1.889 4.510 . 0 0 "[ . 1 . 2]" 1
708 1 52 GLU H 1 91 ILE QG 4.500 . 5.000 3.576 2.298 4.259 . 0 0 "[ . 1 . 2]" 1
709 1 52 GLU H 1 91 ILE MG 4.500 . 5.000 5.039 4.877 5.182 0.182 9 0 "[ . 1 . 2]" 1
710 1 52 GLU HA 1 52 GLU QG 3.500 . 3.800 3.166 3.041 3.420 . 0 0 "[ . 1 . 2]" 1
711 1 52 GLU HB3 1 89 GLY HA2 5.200 . 5.700 5.400 5.185 5.648 . 0 0 "[ . 1 . 2]" 1
712 1 52 GLU HB3 1 90 GLY H 4.500 . 5.000 4.954 4.681 5.069 0.069 8 0 "[ . 1 . 2]" 1
713 1 52 GLU QG 1 53 VAL H 4.500 . 5.000 4.392 3.828 4.857 . 0 0 "[ . 1 . 2]" 1
714 1 52 GLU QG 1 53 VAL HA 5.200 . 5.700 4.653 3.651 5.355 . 0 0 "[ . 1 . 2]" 1
715 1 52 GLU QG 1 89 GLY HA2 4.500 . 5.000 4.107 2.875 5.172 0.172 14 0 "[ . 1 . 2]" 1
716 1 52 GLU QG 1 90 GLY H 4.500 . 5.000 3.009 2.119 3.574 . 0 0 "[ . 1 . 2]" 1
717 1 52 GLU QG 1 91 ILE HB 4.500 . 5.000 4.494 3.648 5.754 0.754 11 5 "[ - .* *1+ . * 2]" 1
718 1 52 GLU QG 1 91 ILE MG 4.500 . 5.000 5.125 4.525 6.174 1.174 9 5 "[ - .* +1* . * 2]" 1
719 1 53 VAL H 1 53 VAL HB 3.500 . 3.800 2.738 2.662 2.830 . 0 0 "[ . 1 . 2]" 1
720 1 53 VAL H 1 53 VAL MG1 4.500 . 5.000 3.861 3.839 3.891 . 0 0 "[ . 1 . 2]" 1
721 1 53 VAL H 1 53 VAL MG2 3.500 . 3.800 2.409 2.222 2.585 . 0 0 "[ . 1 . 2]" 1
722 1 53 VAL H 1 54 GLN H 4.500 . 5.000 4.498 4.424 4.551 . 0 0 "[ . 1 . 2]" 1
723 1 53 VAL H 1 57 ILE HA 5.200 . 5.700 4.198 3.734 4.470 . 0 0 "[ . 1 . 2]" 1
724 1 53 VAL H 1 60 ASN HB3 4.500 . 5.000 4.698 4.206 5.187 0.187 6 0 "[ . 1 . 2]" 1
725 1 53 VAL H 1 89 GLY HA2 5.200 . 5.700 5.182 4.686 5.579 . 0 0 "[ . 1 . 2]" 1
726 1 53 VAL HA 1 53 VAL MG1 3.500 . 3.800 2.200 2.106 2.351 . 0 0 "[ . 1 . 2]" 1
727 1 53 VAL HA 1 53 VAL MG2 3.500 . 3.800 2.517 2.437 2.603 . 0 0 "[ . 1 . 2]" 1
728 1 53 VAL HA 1 54 GLN H 3.500 . 3.800 2.219 2.154 2.339 . 0 0 "[ . 1 . 2]" 1
729 1 53 VAL HA 1 54 GLN QB 4.500 . 5.000 4.176 3.956 4.499 . 0 0 "[ . 1 . 2]" 1
730 1 53 VAL HA 1 54 GLN QG 5.200 . 5.700 4.374 3.450 5.008 . 0 0 "[ . 1 . 2]" 1
731 1 53 VAL HA 1 57 ILE MG 5.200 . 5.700 4.577 4.067 4.986 . 0 0 "[ . 1 . 2]" 1
732 1 53 VAL HA 1 88 ARG H 5.200 . 5.700 5.007 4.830 5.188 . 0 0 "[ . 1 . 2]" 1
733 1 53 VAL HA 1 89 GLY H 5.200 . 5.700 5.074 4.695 5.394 . 0 0 "[ . 1 . 2]" 1
734 1 53 VAL HA 1 90 GLY H 4.500 . 5.000 3.553 2.876 3.999 . 0 0 "[ . 1 . 2]" 1
735 1 53 VAL HA 1 91 ILE H 4.500 . 5.000 5.038 5.016 5.081 0.081 13 0 "[ . 1 . 2]" 1
736 1 53 VAL HB 1 54 GLN H 4.500 . 5.000 3.791 3.441 3.994 . 0 0 "[ . 1 . 2]" 1
737 1 53 VAL HB 1 60 ASN H 4.500 . 5.000 4.631 4.345 5.117 0.117 1 0 "[ . 1 . 2]" 1
738 1 53 VAL MG1 1 54 GLN H 3.500 . 3.800 2.257 1.944 2.506 . 0 0 "[ . 1 . 2]" 1
739 1 53 VAL MG1 1 55 GLY HA3 5.200 . 5.700 5.218 5.069 5.444 . 0 0 "[ . 1 . 2]" 1
740 1 53 VAL MG1 1 56 MET H 3.500 . 3.800 2.405 2.237 2.717 . 0 0 "[ . 1 . 2]" 1
741 1 53 VAL MG1 1 56 MET QB 3.500 . 3.800 2.171 1.913 2.596 . 0 0 "[ . 1 . 2]" 1
742 1 53 VAL MG1 1 56 MET QG 4.500 . 5.000 3.743 2.964 4.294 . 0 0 "[ . 1 . 2]" 1
743 1 53 VAL MG1 1 59 LEU QD 4.500 . 5.000 4.271 3.916 4.743 . 0 0 "[ . 1 . 2]" 1
744 1 53 VAL MG1 1 86 TYR HA 4.500 . 5.000 3.448 3.271 3.651 . 0 0 "[ . 1 . 2]" 1
745 1 53 VAL MG1 1 86 TYR QB 5.200 . 5.700 3.736 3.575 4.115 . 0 0 "[ . 1 . 2]" 1
746 1 53 VAL MG1 1 86 TYR QD 3.500 . 3.800 2.195 1.932 2.753 . 0 0 "[ . 1 . 2]" 1
747 1 53 VAL MG1 1 87 ILE H 3.500 . 3.800 3.605 3.417 3.852 0.052 19 0 "[ . 1 . 2]" 1
748 1 53 VAL MG1 1 88 ARG H 4.500 . 5.000 3.993 3.583 4.272 . 0 0 "[ . 1 . 2]" 1
749 1 53 VAL MG1 1 90 GLY H 4.500 . 5.000 4.651 4.045 5.008 0.008 14 0 "[ . 1 . 2]" 1
750 1 53 VAL MG2 1 54 GLN H 4.500 . 5.000 4.085 3.962 4.177 . 0 0 "[ . 1 . 2]" 1
751 1 53 VAL MG2 1 56 MET H 5.200 . 5.700 5.007 4.754 5.222 . 0 0 "[ . 1 . 2]" 1
752 1 53 VAL MG2 1 57 ILE HA 5.200 . 5.700 3.582 2.736 4.258 . 0 0 "[ . 1 . 2]" 1
753 1 53 VAL MG2 1 59 LEU QD 4.500 . 5.000 4.482 4.190 4.829 . 0 0 "[ . 1 . 2]" 1
754 1 53 VAL MG2 1 60 ASN H 4.500 . 5.000 3.875 3.420 4.386 . 0 0 "[ . 1 . 2]" 1
755 1 53 VAL MG2 1 60 ASN HB3 4.500 . 5.000 4.235 3.538 4.921 . 0 0 "[ . 1 . 2]" 1
756 1 53 VAL MG2 1 86 TYR QD 4.500 . 5.000 3.940 3.714 4.622 . 0 0 "[ . 1 . 2]" 1
757 1 53 VAL MG2 1 89 GLY HA2 4.500 . 5.000 4.790 4.478 5.075 0.075 14 0 "[ . 1 . 2]" 1
758 1 53 VAL MG2 1 90 GLY H 4.500 . 5.000 3.881 3.445 4.171 . 0 0 "[ . 1 . 2]" 1
759 1 53 VAL MG2 1 90 GLY HA2 4.500 . 5.000 2.444 1.959 2.609 . 0 0 "[ . 1 . 2]" 1
760 1 53 VAL MG2 1 90 GLY HA3 3.500 . 3.800 1.885 1.813 1.963 . 0 0 "[ . 1 . 2]" 1
761 1 53 VAL MG2 1 91 ILE H 3.500 . 3.800 3.162 2.996 3.340 . 0 0 "[ . 1 . 2]" 1
762 1 54 GLN H 1 54 GLN QB 3.500 . 3.800 2.343 2.239 2.659 . 0 0 "[ . 1 . 2]" 1
763 1 54 GLN H 1 54 GLN QG 4.500 . 5.000 3.305 2.696 3.800 . 0 0 "[ . 1 . 2]" 1
764 1 54 GLN H 1 86 TYR QD 4.500 . 5.000 4.541 3.609 4.851 . 0 0 "[ . 1 . 2]" 1
765 1 54 GLN H 1 87 ILE MG 5.200 . 5.700 5.515 5.273 5.791 0.091 5 0 "[ . 1 . 2]" 1
766 1 54 GLN H 1 88 ARG H 4.500 . 5.000 3.013 2.748 3.185 . 0 0 "[ . 1 . 2]" 1
767 1 54 GLN H 1 89 GLY HA2 4.500 . 5.000 3.482 3.067 3.681 . 0 0 "[ . 1 . 2]" 1
768 1 54 GLN H 1 90 GLY H 4.500 . 5.000 5.176 4.892 5.365 0.365 8 0 "[ . 1 . 2]" 1
769 1 54 GLN HA 1 57 ILE MG 4.500 . 5.000 3.132 2.936 3.358 . 0 0 "[ . 1 . 2]" 1
770 1 54 GLN QB 1 55 GLY H 4.500 . 5.000 3.521 3.350 3.724 . 0 0 "[ . 1 . 2]" 1
771 1 54 GLN QB 1 55 GLY HA3 4.500 . 5.000 4.652 4.521 4.829 . 0 0 "[ . 1 . 2]" 1
772 1 54 GLN QB 1 87 ILE H 4.500 . 5.000 3.570 3.414 3.739 . 0 0 "[ . 1 . 2]" 1
773 1 54 GLN QB 1 87 ILE HB 4.500 . 5.000 2.218 1.943 2.596 . 0 0 "[ . 1 . 2]" 1
774 1 54 GLN QB 1 87 ILE MD 4.500 . 5.000 2.853 2.537 3.259 . 0 0 "[ . 1 . 2]" 1
775 1 54 GLN QB 1 87 ILE MG 4.500 . 5.000 3.199 2.966 3.513 . 0 0 "[ . 1 . 2]" 1
776 1 54 GLN QB 1 88 ARG H 3.500 . 3.800 1.968 1.883 2.210 . 0 0 "[ . 1 . 2]" 1
777 1 54 GLN QB 1 88 ARG HB2 3.500 . 3.800 2.879 2.342 3.386 . 0 0 "[ . 1 . 2]" 1
778 1 54 GLN QB 1 88 ARG QG 4.500 . 5.000 4.376 4.013 4.756 . 0 0 "[ . 1 . 2]" 1
779 1 54 GLN QG 1 88 ARG H 4.500 . 5.000 3.974 3.351 4.310 . 0 0 "[ . 1 . 2]" 1
780 1 54 GLN QG 1 89 GLY H 5.200 . 5.700 4.900 3.446 5.678 . 0 0 "[ . 1 . 2]" 1
781 1 55 GLY H 1 56 MET H 4.500 . 5.000 3.457 3.274 3.693 . 0 0 "[ . 1 . 2]" 1
782 1 55 GLY H 1 57 ILE MG 4.500 . 5.000 2.513 2.399 2.620 . 0 0 "[ . 1 . 2]" 1
783 1 55 GLY H 1 87 ILE MD 4.500 . 5.000 3.582 2.855 4.003 . 0 0 "[ . 1 . 2]" 1
784 1 55 GLY HA2 1 87 ILE MD 3.500 . 3.800 2.477 2.098 2.789 . 0 0 "[ . 1 . 2]" 1
785 1 55 GLY HA2 1 87 ILE QG 4.500 . 5.000 2.299 1.976 3.129 . 0 0 "[ . 1 . 2]" 1
786 1 55 GLY HA2 1 87 ILE MG 4.500 . 5.000 4.763 4.507 5.036 0.036 5 0 "[ . 1 . 2]" 1
787 1 55 GLY HA3 1 56 MET QB 5.200 . 5.700 5.125 5.094 5.152 . 0 0 "[ . 1 . 2]" 1
788 1 55 GLY HA3 1 57 ILE H 5.200 . 5.700 4.079 3.954 4.194 . 0 0 "[ . 1 . 2]" 1
789 1 55 GLY HA3 1 57 ILE MG 5.200 . 5.700 3.956 3.542 4.183 . 0 0 "[ . 1 . 2]" 1
790 1 55 GLY HA3 1 87 ILE H 4.500 . 5.000 4.955 4.812 5.012 0.012 18 0 "[ . 1 . 2]" 1
791 1 55 GLY HA3 1 87 ILE MD 3.500 . 3.800 2.744 2.250 3.095 . 0 0 "[ . 1 . 2]" 1
792 1 55 GLY HA3 1 87 ILE QG 4.500 . 5.000 3.639 3.258 4.500 . 0 0 "[ . 1 . 2]" 1
793 1 55 GLY HA3 1 88 ARG H 5.200 . 5.700 6.008 5.971 6.026 0.326 5 0 "[ . 1 . 2]" 1
794 1 56 MET H 1 56 MET QB 3.500 . 3.800 2.276 2.197 2.353 . 0 0 "[ . 1 . 2]" 1
795 1 56 MET H 1 56 MET ME 5.200 . 5.700 4.675 3.972 5.086 . 0 0 "[ . 1 . 2]" 1
796 1 56 MET H 1 56 MET QG 4.500 . 5.000 3.962 3.789 4.080 . 0 0 "[ . 1 . 2]" 1
797 1 56 MET H 1 57 ILE H 4.500 . 5.000 3.440 3.259 3.584 . 0 0 "[ . 1 . 2]" 1
798 1 56 MET H 1 59 LEU QD 5.200 . 5.700 5.196 4.741 5.567 . 0 0 "[ . 1 . 2]" 1
799 1 56 MET H 1 86 TYR H 5.200 . 5.700 4.856 4.573 5.212 . 0 0 "[ . 1 . 2]" 1
800 1 56 MET H 1 86 TYR HA 3.500 . 3.800 2.454 2.200 2.821 . 0 0 "[ . 1 . 2]" 1
801 1 56 MET H 1 86 TYR QB 4.500 . 5.000 4.082 3.787 4.555 . 0 0 "[ . 1 . 2]" 1
802 1 56 MET H 1 86 TYR QD 4.500 . 5.000 3.827 3.404 4.388 . 0 0 "[ . 1 . 2]" 1
803 1 56 MET H 1 87 ILE H 3.500 . 3.800 3.267 3.157 3.423 . 0 0 "[ . 1 . 2]" 1
804 1 56 MET H 1 87 ILE HA 5.200 . 5.700 6.019 6.009 6.031 0.331 3 0 "[ . 1 . 2]" 1
805 1 56 MET H 1 87 ILE MD 4.500 . 5.000 4.534 4.182 4.805 . 0 0 "[ . 1 . 2]" 1
806 1 56 MET H 1 87 ILE QG 4.500 . 5.000 4.046 3.865 4.504 . 0 0 "[ . 1 . 2]" 1
807 1 56 MET H 1 88 ARG H 4.500 . 5.000 4.837 4.428 5.011 0.011 2 0 "[ . 1 . 2]" 1
808 1 56 MET HA 1 56 MET ME 4.500 . 5.000 3.848 3.241 4.309 . 0 0 "[ . 1 . 2]" 1
809 1 56 MET HA 1 57 ILE H 3.500 . 3.800 2.570 2.500 2.678 . 0 0 "[ . 1 . 2]" 1
810 1 56 MET HA 1 58 GLN H 4.500 . 5.000 3.493 3.464 3.537 . 0 0 "[ . 1 . 2]" 1
811 1 56 MET QB 1 57 ILE H 4.500 . 5.000 3.963 3.927 4.011 . 0 0 "[ . 1 . 2]" 1
812 1 56 MET QB 1 57 ILE MG 4.500 . 5.000 4.704 4.561 4.831 . 0 0 "[ . 1 . 2]" 1
813 1 56 MET QB 1 59 LEU H 5.200 . 5.700 4.663 4.323 4.944 . 0 0 "[ . 1 . 2]" 1
814 1 56 MET QB 1 84 SER H 5.200 . 5.700 4.996 4.796 5.025 . 0 0 "[ . 1 . 2]" 1
815 1 56 MET QB 1 86 TYR H 4.500 . 5.000 3.341 2.898 3.625 . 0 0 "[ . 1 . 2]" 1
816 1 56 MET QB 1 86 TYR QB 4.500 . 5.000 2.431 2.111 3.019 . 0 0 "[ . 1 . 2]" 1
817 1 56 MET QB 1 87 ILE H 4.500 . 5.000 4.008 3.775 4.277 . 0 0 "[ . 1 . 2]" 1
818 1 56 MET ME 1 58 GLN H 5.200 . 5.700 6.375 5.747 6.762 1.062 7 14 "[****. +******** -]" 1
819 1 56 MET ME 1 81 SER QB 4.500 . 5.000 6.106 5.449 6.492 1.492 15 19 "[******- ******+*****]" 1
820 1 56 MET ME 1 83 PHE H 4.500 . 5.000 4.790 4.146 5.004 0.004 16 0 "[ . 1 . 2]" 1
821 1 56 MET ME 1 83 PHE QB 4.500 . 5.000 3.185 2.384 3.854 . 0 0 "[ . 1 . 2]" 1
822 1 56 MET ME 1 83 PHE QD 4.500 . 5.000 4.088 3.240 4.831 . 0 0 "[ . 1 . 2]" 1
823 1 56 MET ME 1 84 SER H 4.500 . 5.000 4.403 3.636 5.011 0.011 10 0 "[ . 1 . 2]" 1
824 1 56 MET ME 1 85 ASP H 4.500 . 5.000 4.505 4.105 4.906 . 0 0 "[ . 1 . 2]" 1
825 1 56 MET ME 1 85 ASP HA 4.500 . 5.000 2.587 1.946 3.065 . 0 0 "[ . 1 . 2]" 1
826 1 56 MET ME 1 86 TYR H 3.500 . 3.800 2.268 1.945 2.653 . 0 0 "[ . 1 . 2]" 1
827 1 56 MET ME 1 86 TYR QB 4.500 . 5.000 2.600 2.085 3.021 . 0 0 "[ . 1 . 2]" 1
828 1 56 MET ME 1 87 ILE H 5.200 . 5.700 5.528 4.980 5.917 0.217 11 0 "[ . 1 . 2]" 1
829 1 56 MET QG 1 57 ILE H 4.500 . 5.000 4.227 4.077 4.342 . 0 0 "[ . 1 . 2]" 1
830 1 56 MET QG 1 58 GLN H 4.500 . 5.000 4.304 4.017 4.443 . 0 0 "[ . 1 . 2]" 1
831 1 56 MET QG 1 59 LEU H 4.500 . 5.000 3.562 3.177 3.862 . 0 0 "[ . 1 . 2]" 1
832 1 56 MET QG 1 59 LEU HG 5.200 . 5.700 3.378 2.562 4.074 . 0 0 "[ . 1 . 2]" 1
833 1 56 MET QG 1 83 PHE QD 5.200 . 5.700 3.783 3.295 4.836 . 0 0 "[ . 1 . 2]" 1
834 1 56 MET QG 1 84 SER H 4.500 . 5.000 3.662 3.174 4.525 . 0 0 "[ . 1 . 2]" 1
835 1 56 MET QG 1 85 ASP H 5.200 . 5.700 5.288 4.135 6.017 0.317 10 0 "[ . 1 . 2]" 1
836 1 56 MET QG 1 85 ASP HA 4.500 . 5.000 4.445 3.322 5.019 0.019 12 0 "[ . 1 . 2]" 1
837 1 57 ILE H 1 57 ILE MD 3.500 . 3.800 3.581 1.824 3.747 . 0 0 "[ . 1 . 2]" 1
838 1 57 ILE H 1 57 ILE QG 3.500 . 3.800 2.028 1.928 3.110 . 0 0 "[ . 1 . 2]" 1
839 1 57 ILE H 1 57 ILE MG 3.500 . 3.800 2.534 2.172 2.675 . 0 0 "[ . 1 . 2]" 1
840 1 57 ILE H 1 58 GLN H 3.500 . 3.800 2.454 2.433 2.482 . 0 0 "[ . 1 . 2]" 1
841 1 57 ILE H 1 58 GLN HA 4.500 . 5.000 5.000 4.977 5.023 0.023 7 0 "[ . 1 . 2]" 1
842 1 57 ILE H 1 58 GLN HB2 5.200 . 5.700 4.385 4.203 4.553 . 0 0 "[ . 1 . 2]" 1
843 1 57 ILE H 1 58 GLN QG 4.500 . 5.000 5.024 4.119 6.166 1.166 19 5 "[ * *.- 1 * . +2]" 1
844 1 57 ILE H 1 59 LEU H 4.500 . 5.000 4.421 4.348 4.499 . 0 0 "[ . 1 . 2]" 1
845 1 57 ILE H 1 59 LEU QD 4.500 . 5.000 4.428 4.227 4.689 . 0 0 "[ . 1 . 2]" 1
846 1 57 ILE H 1 83 PHE QB 5.200 . 5.700 5.193 4.733 5.758 0.058 11 0 "[ . 1 . 2]" 1
847 1 57 ILE H 1 84 SER H 5.200 . 5.700 4.858 4.552 5.009 . 0 0 "[ . 1 . 2]" 1
848 1 57 ILE H 1 84 SER HB2 5.200 . 5.700 4.120 3.302 5.717 0.017 12 0 "[ . 1 . 2]" 1
849 1 57 ILE H 1 84 SER QB 4.500 . 5.000 3.722 3.147 4.595 . 0 0 "[ . 1 . 2]" 1
850 1 57 ILE H 1 84 SER HB3 5.200 . 5.700 4.646 3.234 5.824 0.124 17 0 "[ . 1 . 2]" 1
851 1 57 ILE HA 1 57 ILE MD 4.500 . 5.000 4.056 3.624 4.172 . 0 0 "[ . 1 . 2]" 1
852 1 57 ILE HA 1 57 ILE MG 3.500 . 3.800 2.224 2.150 2.359 . 0 0 "[ . 1 . 2]" 1
853 1 57 ILE HA 1 58 GLN H 3.500 . 3.800 3.505 3.501 3.510 . 0 0 "[ . 1 . 2]" 1
854 1 57 ILE HA 1 59 LEU H 4.500 . 5.000 3.758 3.736 3.778 . 0 0 "[ . 1 . 2]" 1
855 1 57 ILE HA 1 60 ASN H 3.500 . 3.800 3.182 2.982 3.410 . 0 0 "[ . 1 . 2]" 1
856 1 57 ILE HA 1 60 ASN HB2 4.500 . 5.000 3.466 2.372 4.076 . 0 0 "[ . 1 . 2]" 1
857 1 57 ILE HB 1 57 ILE MD 3.500 . 3.800 2.287 1.989 3.230 . 0 0 "[ . 1 . 2]" 1
858 1 57 ILE HB 1 59 LEU H 5.200 . 5.700 5.117 5.070 5.238 . 0 0 "[ . 1 . 2]" 1
859 1 57 ILE HB 1 60 ASN H 4.500 . 5.000 4.509 4.436 4.639 . 0 0 "[ . 1 . 2]" 1
860 1 57 ILE MD 1 58 GLN H 4.500 . 5.000 3.456 1.969 3.828 . 0 0 "[ . 1 . 2]" 1
861 1 57 ILE MG 1 60 ASN H 4.500 . 5.000 4.856 4.696 5.006 0.006 17 0 "[ . 1 . 2]" 1
862 1 58 GLN H 1 58 GLN HB2 3.500 . 3.800 2.307 2.111 2.506 . 0 0 "[ . 1 . 2]" 1
863 1 58 GLN H 1 58 GLN QG 3.500 . 3.800 3.087 2.339 4.087 0.287 19 0 "[ . 1 . 2]" 1
864 1 58 GLN H 1 59 LEU H 3.500 . 3.800 3.000 2.966 3.043 . 0 0 "[ . 1 . 2]" 1
865 1 58 GLN H 1 59 LEU QD 4.500 . 5.000 3.614 3.532 3.798 . 0 0 "[ . 1 . 2]" 1
866 1 58 GLN H 1 60 ASN H 4.500 . 5.000 4.562 4.389 4.784 . 0 0 "[ . 1 . 2]" 1
867 1 58 GLN H 1 84 SER H 5.200 . 5.700 4.253 3.948 5.016 . 0 0 "[ . 1 . 2]" 1
868 1 58 GLN HA 1 58 GLN QG 3.500 . 3.800 2.316 2.019 2.945 . 0 0 "[ . 1 . 2]" 1
869 1 58 GLN HB2 1 59 LEU H 4.500 . 5.000 3.058 2.866 3.933 . 0 0 "[ . 1 . 2]" 1
870 1 58 GLN HB2 1 83 PHE H 5.200 . 5.700 5.861 5.236 6.027 0.327 16 0 "[ . 1 . 2]" 1
871 1 58 GLN HB2 1 83 PHE QD 5.200 . 5.700 2.778 1.923 3.269 . 0 0 "[ . 1 . 2]" 1
872 1 58 GLN HB3 1 59 LEU H 4.500 . 5.000 3.387 2.777 3.646 . 0 0 "[ . 1 . 2]" 1
873 1 58 GLN HB3 1 83 PHE QD 4.500 . 5.000 2.381 1.973 3.615 . 0 0 "[ . 1 . 2]" 1
874 1 58 GLN QG 1 59 LEU H 5.200 . 5.700 4.468 3.910 4.631 . 0 0 "[ . 1 . 2]" 1
875 1 58 GLN QG 1 83 PHE H 5.200 . 5.700 5.706 5.457 6.004 0.304 10 0 "[ . 1 . 2]" 1
876 1 58 GLN QG 1 83 PHE QD 4.500 . 5.000 2.633 1.976 3.501 . 0 0 "[ . 1 . 2]" 1
877 1 59 LEU H 1 59 LEU HB2 3.500 . 3.800 2.392 2.311 2.444 . 0 0 "[ . 1 . 2]" 1
878 1 59 LEU H 1 59 LEU HB3 3.500 . 3.800 3.586 3.560 3.612 . 0 0 "[ . 1 . 2]" 1
879 1 59 LEU H 1 59 LEU QD 3.500 . 3.800 1.864 1.833 1.912 . 0 0 "[ . 1 . 2]" 1
880 1 59 LEU H 1 59 LEU HG 4.500 . 5.000 3.856 3.695 4.031 . 0 0 "[ . 1 . 2]" 1
881 1 59 LEU H 1 60 ASN HB3 5.200 . 5.700 4.855 4.564 5.510 . 0 0 "[ . 1 . 2]" 1
882 1 59 LEU HA 1 59 LEU QD 3.500 . 3.800 2.019 1.880 2.128 . 0 0 "[ . 1 . 2]" 1
883 1 59 LEU HA 1 65 MET ME 4.500 . 5.000 3.015 2.839 3.247 . 0 0 "[ . 1 . 2]" 1
884 1 59 LEU HB2 1 60 ASN H 4.500 . 5.000 2.516 2.390 2.636 . 0 0 "[ . 1 . 2]" 1
885 1 59 LEU HB2 1 61 GLY H 5.200 . 5.700 4.904 4.764 5.088 . 0 0 "[ . 1 . 2]" 1
886 1 59 LEU HB3 1 60 ASN H 3.500 . 3.800 3.419 3.228 3.623 . 0 0 "[ . 1 . 2]" 1
887 1 59 LEU HB3 1 65 MET ME 4.500 . 5.000 2.112 1.916 2.349 . 0 0 "[ . 1 . 2]" 1
888 1 59 LEU QD 1 60 ASN H 4.500 . 5.000 3.578 3.448 3.718 . 0 0 "[ . 1 . 2]" 1
889 1 59 LEU QD 1 62 CYS H 5.200 . 5.700 5.253 4.878 5.457 . 0 0 "[ . 1 . 2]" 1
890 1 59 LEU QD 1 65 MET ME 3.500 . 3.800 2.051 1.918 2.746 . 0 0 "[ . 1 . 2]" 1
891 1 59 LEU QD 1 77 ILE MD 3.500 . 3.800 3.253 2.109 4.265 0.465 13 0 "[ . 1 . 2]" 1
892 1 59 LEU QD 1 78 CYS H 5.200 . 5.700 4.788 3.060 5.510 . 0 0 "[ . 1 . 2]" 1
893 1 59 LEU HG 1 77 ILE HB 5.200 . 5.700 5.523 4.295 5.998 0.298 1 0 "[ . 1 . 2]" 1
894 1 60 ASN H 1 60 ASN HB2 3.500 . 3.800 2.477 2.052 2.584 . 0 0 "[ . 1 . 2]" 1
895 1 60 ASN H 1 60 ASN HB3 3.500 . 3.800 2.606 2.464 3.292 . 0 0 "[ . 1 . 2]" 1
896 1 60 ASN H 1 61 GLY H 4.500 . 5.000 2.713 2.613 2.835 . 0 0 "[ . 1 . 2]" 1
897 1 60 ASN H 1 62 CYS H 4.500 . 5.000 4.690 4.315 4.870 . 0 0 "[ . 1 . 2]" 1
898 1 60 ASN HA 1 61 GLY H 3.500 . 3.800 3.518 3.512 3.554 . 0 0 "[ . 1 . 2]" 1
899 1 60 ASN HB2 1 61 GLY H 4.500 . 5.000 3.897 3.211 4.022 . 0 0 "[ . 1 . 2]" 1
900 1 60 ASN HB3 1 61 GLY H 4.500 . 5.000 2.772 2.506 3.017 . 0 0 "[ . 1 . 2]" 1
901 1 61 GLY H 1 62 CYS H 3.500 . 3.800 3.161 2.835 3.296 . 0 0 "[ . 1 . 2]" 1
902 1 61 GLY H 1 62 CYS HB2 4.500 . 5.000 4.163 3.998 4.405 . 0 0 "[ . 1 . 2]" 1
903 1 61 GLY QA 1 62 CYS HA 4.500 . 5.000 3.998 3.980 4.008 . 0 0 "[ . 1 . 2]" 1
904 1 62 CYS H 1 62 CYS HB2 3.500 . 3.800 3.142 2.917 3.268 . 0 0 "[ . 1 . 2]" 1
905 1 62 CYS H 1 62 CYS HB3 3.500 . 3.800 3.229 2.944 3.330 . 0 0 "[ . 1 . 2]" 1
906 1 62 CYS H 1 63 GLN H 4.500 . 5.000 3.338 1.983 4.418 . 0 0 "[ . 1 . 2]" 1
907 1 62 CYS H 1 65 MET ME 5.200 . 5.700 4.823 4.197 5.041 . 0 0 "[ . 1 . 2]" 1
908 1 62 CYS HA 1 63 GLN H 3.500 . 3.800 2.631 2.284 2.975 . 0 0 "[ . 1 . 2]" 1
909 1 62 CYS HB2 1 63 GLN H 4.500 . 5.000 4.222 3.902 4.537 . 0 0 "[ . 1 . 2]" 1
910 1 62 CYS HB3 1 63 GLN H 3.500 . 3.800 3.622 2.982 4.168 0.368 19 0 "[ . 1 . 2]" 1
911 1 62 CYS HB3 1 65 MET ME 4.500 . 5.000 3.766 3.556 3.885 . 0 0 "[ . 1 . 2]" 1
912 1 63 GLN H 1 63 GLN HB2 3.500 . 3.800 2.982 2.113 3.721 . 0 0 "[ . 1 . 2]" 1
913 1 63 GLN H 1 63 GLN HB3 3.500 . 3.800 3.559 2.581 4.075 0.275 6 0 "[ . 1 . 2]" 1
914 1 63 GLN H 1 63 GLN QG 3.500 . 3.800 2.932 1.984 3.650 . 0 0 "[ . 1 . 2]" 1
915 1 63 GLN H 1 64 PRO HD2 5.200 . 5.700 4.719 4.559 5.228 . 0 0 "[ . 1 . 2]" 1
916 1 63 GLN H 1 64 PRO QD 4.500 . 5.000 4.293 4.102 4.387 . 0 0 "[ . 1 . 2]" 1
917 1 63 GLN H 1 64 PRO HD3 5.200 . 5.700 4.981 4.363 5.294 . 0 0 "[ . 1 . 2]" 1
918 1 63 GLN HA 1 64 PRO HD2 3.500 . 3.800 2.560 2.336 3.149 . 0 0 "[ . 1 . 2]" 1
919 1 63 GLN HA 1 64 PRO QD 3.500 . 3.800 2.249 2.078 2.332 . 0 0 "[ . 1 . 2]" 1
920 1 63 GLN HA 1 64 PRO HD3 3.500 . 3.800 2.531 2.108 2.679 . 0 0 "[ . 1 . 2]" 1
921 1 63 GLN QB 1 64 PRO QD 3.500 . 3.800 1.953 1.889 2.004 . 0 0 "[ . 1 . 2]" 1
922 1 63 GLN HB2 1 64 PRO HD2 4.500 . 5.000 3.171 1.947 3.555 . 0 0 "[ . 1 . 2]" 1
923 1 63 GLN HB2 1 64 PRO HD3 4.500 . 5.000 4.419 3.507 4.772 . 0 0 "[ . 1 . 2]" 1
924 1 63 GLN HB3 1 64 PRO HD2 4.500 . 5.000 2.207 1.922 3.184 . 0 0 "[ . 1 . 2]" 1
925 1 63 GLN HB3 1 64 PRO HD3 4.500 . 5.000 3.603 2.503 4.428 . 0 0 "[ . 1 . 2]" 1
926 1 63 GLN QG 1 64 PRO HD2 4.500 . 5.000 2.780 1.975 4.156 . 0 0 "[ . 1 . 2]" 1
927 1 63 GLN QG 1 64 PRO QD 4.500 . 5.000 2.689 1.951 3.863 . 0 0 "[ . 1 . 2]" 1
928 1 63 GLN QG 1 64 PRO HD3 4.500 . 5.000 3.670 2.846 4.965 . 0 0 "[ . 1 . 2]" 1
929 1 64 PRO HA 1 65 MET H 3.500 . 3.800 2.439 2.206 2.882 . 0 0 "[ . 1 . 2]" 1
930 1 64 PRO HA 1 65 MET ME 4.500 . 5.000 2.557 2.128 3.148 . 0 0 "[ . 1 . 2]" 1
931 1 64 PRO HA 1 95 VAL QG 4.500 . 5.000 3.662 3.354 4.339 . 0 0 "[ . 1 . 2]" 1
932 1 64 PRO HB2 1 65 MET H 3.500 . 3.800 2.607 1.974 3.224 . 0 0 "[ . 1 . 2]" 1
933 1 64 PRO HB2 1 95 VAL QG 3.500 . 3.800 2.352 2.041 3.039 . 0 0 "[ . 1 . 2]" 1
934 1 64 PRO HB3 1 95 VAL QG 4.500 . 5.000 1.960 1.788 2.539 0.012 14 0 "[ . 1 . 2]" 1
935 1 64 PRO QD 1 65 MET ME 5.200 . 5.700 4.918 4.443 5.307 . 0 0 "[ . 1 . 2]" 1
936 1 64 PRO QG 1 65 MET H 4.500 . 5.000 4.185 3.680 4.588 . 0 0 "[ . 1 . 2]" 1
937 1 64 PRO QG 1 95 VAL QG 3.500 . 3.800 1.804 1.777 1.852 0.023 18 0 "[ . 1 . 2]" 1
938 1 64 PRO HG2 1 95 VAL MG1 4.500 . 5.000 3.290 1.819 3.785 . 0 0 "[ . 1 . 2]" 1
939 1 64 PRO HG2 1 95 VAL MG2 4.500 . 5.000 3.205 2.417 5.008 0.008 19 0 "[ . 1 . 2]" 1
940 1 64 PRO HG3 1 95 VAL MG1 4.500 . 5.000 2.082 1.822 2.754 . 0 0 "[ . 1 . 2]" 1
941 1 64 PRO HG3 1 95 VAL MG2 4.500 . 5.000 2.445 1.928 4.878 . 0 0 "[ . 1 . 2]" 1
942 1 65 MET H 1 65 MET QB 3.500 . 3.800 3.123 2.862 3.384 . 0 0 "[ . 1 . 2]" 1
943 1 65 MET H 1 65 MET ME 4.500 . 5.000 2.676 2.120 3.360 . 0 0 "[ . 1 . 2]" 1
944 1 65 MET H 1 65 MET HG2 4.500 . 5.000 2.036 1.900 2.479 . 0 0 "[ . 1 . 2]" 1
945 1 65 MET H 1 65 MET HG3 3.500 . 3.800 3.549 3.400 3.834 0.034 19 0 "[ . 1 . 2]" 1
946 1 65 MET H 1 66 GLU H 4.500 . 5.000 4.385 4.355 4.426 . 0 0 "[ . 1 . 2]" 1
947 1 65 MET H 1 66 GLU HA 5.200 . 5.700 4.876 4.644 5.043 . 0 0 "[ . 1 . 2]" 1
948 1 65 MET H 1 95 VAL QG 4.500 . 5.000 4.126 3.768 4.458 . 0 0 "[ . 1 . 2]" 1
949 1 65 MET HA 1 65 MET ME 4.500 . 5.000 4.029 3.653 4.371 . 0 0 "[ . 1 . 2]" 1
950 1 65 MET HA 1 66 GLU H 2.500 . 2.800 2.660 2.552 2.714 . 0 0 "[ . 1 . 2]" 1
951 1 65 MET HA 1 66 GLU HA 4.500 . 5.000 4.373 4.362 4.381 . 0 0 "[ . 1 . 2]" 1
952 1 65 MET HA 1 66 GLU HB2 5.200 . 5.700 4.335 4.251 4.431 . 0 0 "[ . 1 . 2]" 1
953 1 65 MET HA 1 66 GLU QB 4.500 . 5.000 4.126 4.083 4.173 . 0 0 "[ . 1 . 2]" 1
954 1 65 MET HA 1 66 GLU HB3 5.200 . 5.700 5.190 5.004 5.407 . 0 0 "[ . 1 . 2]" 1
955 1 65 MET QB 1 65 MET ME 3.500 . 3.800 2.677 2.157 3.111 . 0 0 "[ . 1 . 2]" 1
956 1 65 MET QB 1 66 GLU H 3.500 . 3.800 1.956 1.887 2.108 . 0 0 "[ . 1 . 2]" 1
957 1 65 MET ME 1 65 MET HG2 3.500 . 3.800 2.172 2.022 2.394 . 0 0 "[ . 1 . 2]" 1
958 1 65 MET ME 1 65 MET HG3 3.500 . 3.800 3.297 3.177 3.371 . 0 0 "[ . 1 . 2]" 1
959 1 65 MET HG2 1 66 GLU H 4.500 . 5.000 4.080 3.704 4.443 . 0 0 "[ . 1 . 2]" 1
960 1 65 MET HG3 1 66 GLU H 4.500 . 5.000 3.434 3.007 3.964 . 0 0 "[ . 1 . 2]" 1
961 1 66 GLU H 1 66 GLU HB2 3.500 . 3.800 2.613 2.444 2.749 . 0 0 "[ . 1 . 2]" 1
962 1 66 GLU H 1 66 GLU HB3 3.500 . 3.800 2.736 2.594 2.925 . 0 0 "[ . 1 . 2]" 1
963 1 66 GLU H 1 66 GLU HG2 4.500 . 5.000 4.624 4.487 4.771 . 0 0 "[ . 1 . 2]" 1
964 1 66 GLU H 1 66 GLU QG 4.500 . 5.000 4.041 4.005 4.098 . 0 0 "[ . 1 . 2]" 1
965 1 66 GLU H 1 66 GLU HG3 4.500 . 5.000 4.465 4.335 4.574 . 0 0 "[ . 1 . 2]" 1
966 1 66 GLU H 1 67 ILE H 4.500 . 5.000 4.534 4.433 4.567 . 0 0 "[ . 1 . 2]" 1
967 1 66 GLU H 1 67 ILE MG 5.200 . 5.700 4.784 4.564 4.946 . 0 0 "[ . 1 . 2]" 1
968 1 66 GLU HA 1 66 GLU QG 3.500 . 3.800 2.240 2.089 2.397 . 0 0 "[ . 1 . 2]" 1
969 1 66 GLU HA 1 67 ILE H 3.500 . 3.800 2.247 2.149 2.356 . 0 0 "[ . 1 . 2]" 1
970 1 66 GLU HA 1 67 ILE QG 4.500 . 5.000 3.688 3.564 3.792 . 0 0 "[ . 1 . 2]" 1
971 1 66 GLU HA 1 67 ILE MG 4.500 . 5.000 3.841 3.630 4.004 . 0 0 "[ . 1 . 2]" 1
972 1 66 GLU QB 1 67 ILE H 4.500 . 5.000 3.489 3.304 3.766 . 0 0 "[ . 1 . 2]" 1
973 1 66 GLU HG2 1 67 ILE H 3.500 . 3.800 2.962 2.133 3.811 0.011 2 0 "[ . 1 . 2]" 1
974 1 66 GLU HG3 1 67 ILE H 3.500 . 3.800 2.678 2.001 3.524 . 0 0 "[ . 1 . 2]" 1
975 1 67 ILE H 1 67 ILE MD 4.500 . 5.000 3.575 3.373 3.682 . 0 0 "[ . 1 . 2]" 1
976 1 67 ILE H 1 67 ILE QG 3.500 . 3.800 1.879 1.812 1.946 . 0 0 "[ . 1 . 2]" 1
977 1 67 ILE H 1 67 ILE MG 3.500 . 3.800 2.984 2.669 3.140 . 0 0 "[ . 1 . 2]" 1
978 1 67 ILE HA 1 67 ILE MD 4.500 . 5.000 3.909 3.789 4.025 . 0 0 "[ . 1 . 2]" 1
979 1 67 ILE HA 1 67 ILE MG 3.500 . 3.800 2.187 2.116 2.304 . 0 0 "[ . 1 . 2]" 1
980 1 67 ILE HA 1 68 LYS H 3.500 . 3.800 2.445 2.342 2.511 . 0 0 "[ . 1 . 2]" 1
981 1 67 ILE HA 1 76 SER H 5.200 . 5.700 5.020 5.008 5.031 . 0 0 "[ . 1 . 2]" 1
982 1 67 ILE HA 1 77 ILE HA 4.500 . 5.000 2.393 1.964 2.846 . 0 0 "[ . 1 . 2]" 1
983 1 67 ILE HA 1 77 ILE MG 4.500 . 5.000 3.305 2.842 4.045 . 0 0 "[ . 1 . 2]" 1
984 1 67 ILE HB 1 67 ILE MD 3.500 . 3.800 2.177 2.100 2.225 . 0 0 "[ . 1 . 2]" 1
985 1 67 ILE HB 1 68 LYS H 3.500 . 3.800 2.036 1.925 2.283 . 0 0 "[ . 1 . 2]" 1
986 1 67 ILE HB 1 69 VAL H 5.200 . 5.700 5.060 5.043 5.071 . 0 0 "[ . 1 . 2]" 1
987 1 67 ILE HB 1 76 SER H 4.500 . 5.000 4.476 4.326 4.680 . 0 0 "[ . 1 . 2]" 1
988 1 67 ILE MD 1 67 ILE MG 3.500 . 3.800 2.906 2.738 3.047 . 0 0 "[ . 1 . 2]" 1
989 1 67 ILE MD 1 68 LYS H 4.500 . 5.000 3.128 2.973 3.247 . 0 0 "[ . 1 . 2]" 1
990 1 67 ILE MD 1 69 VAL MG1 3.500 . 3.800 2.357 2.236 2.507 . 0 0 "[ . 1 . 2]" 1
991 1 67 ILE MD 1 75 PHE HB2 4.500 . 5.000 3.820 3.586 3.991 . 0 0 "[ . 1 . 2]" 1
992 1 67 ILE MD 1 75 PHE HB3 4.500 . 5.000 4.599 4.412 4.740 . 0 0 "[ . 1 . 2]" 1
993 1 67 ILE MD 1 75 PHE QD 4.500 . 5.000 3.573 3.207 3.850 . 0 0 "[ . 1 . 2]" 1
994 1 67 ILE MD 1 75 PHE QE 4.500 . 5.000 4.740 4.206 5.006 0.006 7 0 "[ . 1 . 2]" 1
995 1 67 ILE MD 1 76 SER H 4.500 . 5.000 5.004 4.945 5.019 0.019 16 0 "[ . 1 . 2]" 1
996 1 67 ILE QG 1 68 LYS H 4.500 . 5.000 3.821 3.694 3.942 . 0 0 "[ . 1 . 2]" 1
997 1 67 ILE MG 1 68 LYS H 4.500 . 5.000 3.387 3.306 3.541 . 0 0 "[ . 1 . 2]" 1
998 1 67 ILE MG 1 75 PHE QD 4.500 . 5.000 2.879 2.639 3.085 . 0 0 "[ . 1 . 2]" 1
999 1 67 ILE MG 1 75 PHE QE 4.500 . 5.000 2.957 2.523 3.358 . 0 0 "[ . 1 . 2]" 1
1000 1 67 ILE MG 1 77 ILE HA 4.500 . 5.000 3.029 2.574 3.468 . 0 0 "[ . 1 . 2]" 1
1001 1 67 ILE MG 1 77 ILE MG 3.500 . 3.800 2.271 1.846 2.952 . 0 0 "[ . 1 . 2]" 1
1002 1 67 ILE MG 1 78 CYS H 5.200 . 5.700 4.182 3.821 4.579 . 0 0 "[ . 1 . 2]" 1
1003 1 68 LYS H 1 68 LYS QB 3.500 . 3.800 2.726 2.594 3.314 . 0 0 "[ . 1 . 2]" 1
1004 1 68 LYS H 1 68 LYS QD 4.500 . 5.000 4.559 3.261 5.010 0.010 11 0 "[ . 1 . 2]" 1
1005 1 68 LYS H 1 69 VAL H 4.500 . 5.000 4.147 4.119 4.173 . 0 0 "[ . 1 . 2]" 1
1006 1 68 LYS H 1 69 VAL HA 4.500 . 5.000 4.463 4.415 4.510 . 0 0 "[ . 1 . 2]" 1
1007 1 68 LYS H 1 69 VAL MG1 4.500 . 5.000 4.245 4.104 4.401 . 0 0 "[ . 1 . 2]" 1
1008 1 68 LYS H 1 75 PHE HA 4.500 . 5.000 4.837 4.607 4.986 . 0 0 "[ . 1 . 2]" 1
1009 1 68 LYS H 1 75 PHE HB2 5.200 . 5.700 3.303 3.277 3.361 . 0 0 "[ . 1 . 2]" 1
1010 1 68 LYS H 1 75 PHE HB3 4.500 . 5.000 5.007 4.979 5.025 0.025 17 0 "[ . 1 . 2]" 1
1011 1 68 LYS H 1 75 PHE QD 4.500 . 5.000 3.319 3.122 3.550 . 0 0 "[ . 1 . 2]" 1
1012 1 68 LYS H 1 76 SER H 3.500 . 3.800 2.948 2.912 3.053 . 0 0 "[ . 1 . 2]" 1
1013 1 68 LYS H 1 76 SER HB3 4.500 . 5.000 4.069 3.808 4.334 . 0 0 "[ . 1 . 2]" 1
1014 1 68 LYS H 1 77 ILE MG 4.500 . 5.000 4.024 3.599 4.591 . 0 0 "[ . 1 . 2]" 1
1015 1 68 LYS HA 1 68 LYS HD2 4.500 . 5.000 3.959 2.865 4.818 . 0 0 "[ . 1 . 2]" 1
1016 1 68 LYS HA 1 68 LYS QD 4.500 . 5.000 3.383 2.306 4.139 . 0 0 "[ . 1 . 2]" 1
1017 1 68 LYS HA 1 68 LYS HD3 4.500 . 5.000 3.821 2.330 4.650 . 0 0 "[ . 1 . 2]" 1
1018 1 68 LYS QB 1 69 VAL H 4.500 . 5.000 3.448 3.168 3.757 . 0 0 "[ . 1 . 2]" 1
1019 1 68 LYS QB 1 76 SER H 4.500 . 5.000 2.713 2.469 3.492 . 0 0 "[ . 1 . 2]" 1
1020 1 69 VAL H 1 69 VAL HB 3.500 . 3.800 3.670 3.634 3.692 . 0 0 "[ . 1 . 2]" 1
1021 1 69 VAL H 1 69 VAL MG1 3.500 . 3.800 2.673 2.454 2.891 . 0 0 "[ . 1 . 2]" 1
1022 1 69 VAL H 1 69 VAL MG2 3.500 . 3.800 1.946 1.891 2.020 . 0 0 "[ . 1 . 2]" 1
1023 1 69 VAL H 1 70 LEU H 4.500 . 5.000 4.345 4.261 4.409 . 0 0 "[ . 1 . 2]" 1
1024 1 69 VAL H 1 75 PHE HB2 4.500 . 5.000 4.378 4.289 4.501 . 0 0 "[ . 1 . 2]" 1
1025 1 69 VAL H 1 75 PHE HB3 4.500 . 5.000 5.039 5.025 5.053 0.053 6 0 "[ . 1 . 2]" 1
1026 1 69 VAL HA 1 69 VAL MG1 3.500 . 3.800 2.248 2.111 2.393 . 0 0 "[ . 1 . 2]" 1
1027 1 69 VAL HA 1 71 GLY H 4.500 . 5.000 3.549 3.483 3.646 . 0 0 "[ . 1 . 2]" 1
1028 1 69 VAL HA 1 75 PHE H 5.200 . 5.700 5.038 4.983 5.172 . 0 0 "[ . 1 . 2]" 1
1029 1 69 VAL HA 1 75 PHE HA 4.500 . 5.000 2.656 2.604 2.800 . 0 0 "[ . 1 . 2]" 1
1030 1 69 VAL HA 1 75 PHE HB2 4.500 . 5.000 2.394 2.242 2.468 . 0 0 "[ . 1 . 2]" 1
1031 1 69 VAL HA 1 75 PHE HB3 4.500 . 5.000 2.273 2.242 2.302 . 0 0 "[ . 1 . 2]" 1
1032 1 69 VAL HA 1 76 SER H 4.500 . 5.000 3.640 3.524 3.762 . 0 0 "[ . 1 . 2]" 1
1033 1 69 VAL HB 1 70 LEU H 5.200 . 5.700 3.462 3.303 3.622 . 0 0 "[ . 1 . 2]" 1
1034 1 69 VAL HB 1 71 GLY H 4.500 . 5.000 3.503 3.352 3.580 . 0 0 "[ . 1 . 2]" 1
1035 1 69 VAL MG1 1 70 LEU H 4.500 . 5.000 3.944 3.807 4.052 . 0 0 "[ . 1 . 2]" 1
1036 1 69 VAL MG1 1 71 GLY H 4.500 . 5.000 4.521 4.333 4.650 . 0 0 "[ . 1 . 2]" 1
1037 1 69 VAL MG1 1 75 PHE HA 5.200 . 5.700 4.359 4.206 4.522 . 0 0 "[ . 1 . 2]" 1
1038 1 69 VAL MG1 1 75 PHE HB2 4.500 . 5.000 3.093 2.947 3.307 . 0 0 "[ . 1 . 2]" 1
1039 1 69 VAL MG1 1 75 PHE HB3 4.500 . 5.000 2.955 2.738 3.173 . 0 0 "[ . 1 . 2]" 1
1040 1 69 VAL MG2 1 70 LEU H 4.500 . 5.000 4.093 4.000 4.195 . 0 0 "[ . 1 . 2]" 1
1041 1 69 VAL MG2 1 75 PHE HA 5.200 . 5.700 5.170 5.131 5.243 . 0 0 "[ . 1 . 2]" 1
1042 1 70 LEU H 1 70 LEU QD 4.500 . 5.000 3.454 3.382 3.504 . 0 0 "[ . 1 . 2]" 1
1043 1 70 LEU H 1 70 LEU HG 4.500 . 5.000 3.025 2.850 3.139 . 0 0 "[ . 1 . 2]" 1
1044 1 70 LEU H 1 75 PHE H 4.500 . 5.000 4.029 3.970 4.155 . 0 0 "[ . 1 . 2]" 1
1045 1 70 LEU H 1 75 PHE HA 3.500 . 3.800 1.854 1.824 1.904 . 0 0 "[ . 1 . 2]" 1
1046 1 70 LEU H 1 75 PHE HB2 4.500 . 5.000 3.447 3.357 3.514 . 0 0 "[ . 1 . 2]" 1
1047 1 70 LEU H 1 75 PHE HB3 4.500 . 5.000 2.876 2.716 2.981 . 0 0 "[ . 1 . 2]" 1
1048 1 70 LEU H 1 76 SER H 4.500 . 5.000 3.846 3.746 3.944 . 0 0 "[ . 1 . 2]" 1
1049 1 70 LEU HA 1 70 LEU QD 3.500 . 3.800 1.966 1.918 2.004 . 0 0 "[ . 1 . 2]" 1
1050 1 70 LEU HB2 1 71 GLY H 4.500 . 5.000 2.953 2.902 3.015 . 0 0 "[ . 1 . 2]" 1
1051 1 70 LEU HB2 1 74 THR HB 4.500 . 5.000 2.369 2.091 2.575 . 0 0 "[ . 1 . 2]" 1
1052 1 70 LEU HB2 1 74 THR MG 5.200 . 5.700 3.935 3.236 4.185 . 0 0 "[ . 1 . 2]" 1
1053 1 70 LEU HB2 1 75 PHE HA 5.200 . 5.700 2.562 2.353 2.699 . 0 0 "[ . 1 . 2]" 1
1054 1 70 LEU HB2 1 76 SER HB3 5.200 . 5.700 5.597 5.356 5.834 0.134 3 0 "[ . 1 . 2]" 1
1055 1 70 LEU HB3 1 71 GLY H 3.500 . 3.800 3.660 3.600 3.740 . 0 0 "[ . 1 . 2]" 1
1056 1 70 LEU HB3 1 74 THR H 5.200 . 5.700 5.767 5.542 6.000 0.300 16 0 "[ . 1 . 2]" 1
1057 1 70 LEU HB3 1 74 THR HB 4.500 . 5.000 3.076 2.741 3.359 . 0 0 "[ . 1 . 2]" 1
1058 1 70 LEU HB3 1 74 THR MG 4.500 . 5.000 4.198 3.618 4.503 . 0 0 "[ . 1 . 2]" 1
1059 1 70 LEU HB3 1 75 PHE H 4.500 . 5.000 5.035 5.024 5.047 0.047 14 0 "[ . 1 . 2]" 1
1060 1 70 LEU HB3 1 75 PHE HA 4.500 . 5.000 4.227 4.035 4.359 . 0 0 "[ . 1 . 2]" 1
1061 1 70 LEU HB3 1 76 SER H 5.200 . 5.700 5.991 5.856 6.022 0.322 16 0 "[ . 1 . 2]" 1
1062 1 70 LEU QD 1 71 GLY H 5.200 . 5.700 4.239 4.209 4.262 . 0 0 "[ . 1 . 2]" 1
1063 1 70 LEU QD 1 74 THR H 5.200 . 5.700 5.780 5.637 5.906 0.206 11 0 "[ . 1 . 2]" 1
1064 1 70 LEU QD 1 74 THR HB 4.500 . 5.000 3.250 3.026 3.420 . 0 0 "[ . 1 . 2]" 1
1065 1 70 LEU QD 1 74 THR MG 3.500 . 3.800 3.770 2.944 4.053 0.253 7 0 "[ . 1 . 2]" 1
1066 1 70 LEU QD 1 75 PHE H 3.500 . 3.800 3.743 3.281 3.988 0.188 18 0 "[ . 1 . 2]" 1
1067 1 70 LEU QD 1 75 PHE HA 4.500 . 5.000 3.333 2.943 3.515 . 0 0 "[ . 1 . 2]" 1
1068 1 70 LEU QD 1 76 SER H 3.500 . 3.800 3.864 3.652 4.002 0.202 7 0 "[ . 1 . 2]" 1
1069 1 70 LEU QD 1 76 SER HA 4.500 . 5.000 4.263 3.887 4.479 . 0 0 "[ . 1 . 2]" 1
1070 1 70 LEU QD 1 76 SER HB2 4.500 . 5.000 3.156 2.717 3.479 . 0 0 "[ . 1 . 2]" 1
1071 1 70 LEU QD 1 76 SER HB3 4.500 . 5.000 3.573 3.163 3.944 . 0 0 "[ . 1 . 2]" 1
1072 1 70 LEU HG 1 71 GLY H 4.500 . 5.000 4.726 4.624 4.800 . 0 0 "[ . 1 . 2]" 1
1073 1 70 LEU HG 1 75 PHE H 4.500 . 5.000 4.727 4.607 4.838 . 0 0 "[ . 1 . 2]" 1
1074 1 70 LEU HG 1 75 PHE HA 4.500 . 5.000 2.832 2.576 3.010 . 0 0 "[ . 1 . 2]" 1
1075 1 70 LEU HG 1 76 SER H 4.500 . 5.000 3.454 3.351 3.537 . 0 0 "[ . 1 . 2]" 1
1076 1 71 GLY H 1 74 THR H 4.500 . 5.000 3.311 3.153 3.501 . 0 0 "[ . 1 . 2]" 1
1077 1 71 GLY H 1 74 THR HB 4.500 . 5.000 3.538 3.156 3.835 . 0 0 "[ . 1 . 2]" 1
1078 1 71 GLY H 1 75 PHE H 5.200 . 5.700 4.712 4.590 4.890 . 0 0 "[ . 1 . 2]" 1
1079 1 71 GLY H 1 75 PHE HA 4.500 . 5.000 3.673 3.561 3.773 . 0 0 "[ . 1 . 2]" 1
1080 1 71 GLY H 1 75 PHE HB2 4.500 . 5.000 5.050 5.039 5.063 0.063 17 0 "[ . 1 . 2]" 1
1081 1 71 GLY H 1 75 PHE HB3 5.200 . 5.700 3.781 3.729 3.859 . 0 0 "[ . 1 . 2]" 1
1082 1 71 GLY QA 1 72 PRO QG 4.500 . 5.000 3.688 3.646 3.764 . 0 0 "[ . 1 . 2]" 1
1083 1 71 GLY QA 1 73 TYR H 4.500 . 5.000 4.042 3.238 5.028 0.028 11 0 "[ . 1 . 2]" 1
1084 1 71 GLY QA 1 74 THR H 4.500 . 5.000 3.430 2.957 4.038 . 0 0 "[ . 1 . 2]" 1
1085 1 72 PRO HA 1 74 THR H 4.500 . 5.000 4.116 3.610 4.503 . 0 0 "[ . 1 . 2]" 1
1086 1 72 PRO QB 1 73 TYR H 4.500 . 5.000 2.989 2.030 3.577 . 0 0 "[ . 1 . 2]" 1
1087 1 72 PRO QB 1 73 TYR QD 4.500 . 5.000 2.296 1.933 3.499 . 0 0 "[ . 1 . 2]" 1
1088 1 72 PRO QB 1 73 TYR QE 4.500 . 5.000 3.180 2.443 3.746 . 0 0 "[ . 1 . 2]" 1
1089 1 72 PRO QG 1 73 TYR H 4.500 . 5.000 3.149 1.986 4.781 . 0 0 "[ . 1 . 2]" 1
1090 1 72 PRO QG 1 73 TYR QD 4.500 . 5.000 3.223 1.993 4.305 . 0 0 "[ . 1 . 2]" 1
1091 1 72 PRO QG 1 73 TYR QE 4.500 . 5.000 4.458 3.341 5.004 0.004 7 0 "[ . 1 . 2]" 1
1092 1 73 TYR H 1 73 TYR QD 3.500 . 3.800 3.013 2.535 3.612 . 0 0 "[ . 1 . 2]" 1
1093 1 73 TYR H 1 74 THR H 3.500 . 3.800 2.359 1.979 2.660 . 0 0 "[ . 1 . 2]" 1
1094 1 73 TYR H 1 74 THR MG 4.500 . 5.000 4.429 3.840 5.014 0.014 17 0 "[ . 1 . 2]" 1
1095 1 73 TYR HB2 1 74 THR H 4.500 . 5.000 3.843 3.461 4.006 . 0 0 "[ . 1 . 2]" 1
1096 1 73 TYR HB2 1 74 THR MG 5.200 . 5.700 3.945 3.474 4.877 . 0 0 "[ . 1 . 2]" 1
1097 1 73 TYR HB3 1 74 THR H 4.500 . 5.000 4.356 4.129 4.493 . 0 0 "[ . 1 . 2]" 1
1098 1 73 TYR HB3 1 74 THR MG 4.500 . 5.000 4.432 4.235 4.869 . 0 0 "[ . 1 . 2]" 1
1099 1 73 TYR QD 1 74 THR H 4.500 . 5.000 4.682 4.334 4.928 . 0 0 "[ . 1 . 2]" 1
1100 1 73 TYR QD 1 74 THR MG 5.200 . 5.700 5.253 4.532 6.004 0.304 8 0 "[ . 1 . 2]" 1
1101 1 74 THR H 1 74 THR MG 3.500 . 3.800 3.384 3.032 3.874 0.074 8 0 "[ . 1 . 2]" 1
1102 1 74 THR H 1 75 PHE H 4.500 . 5.000 4.440 4.337 4.544 . 0 0 "[ . 1 . 2]" 1
1103 1 74 THR HA 1 74 THR MG 3.500 . 3.800 2.160 1.983 2.288 . 0 0 "[ . 1 . 2]" 1
1104 1 74 THR HA 1 75 PHE H 3.500 . 3.800 2.245 2.176 2.303 . 0 0 "[ . 1 . 2]" 1
1105 1 74 THR HB 1 75 PHE H 3.500 . 3.800 2.978 2.745 3.229 . 0 0 "[ . 1 . 2]" 1
1106 1 74 THR MG 1 75 PHE H 3.500 . 3.800 3.362 2.784 3.677 . 0 0 "[ . 1 . 2]" 1
1107 1 74 THR MG 1 75 PHE HA 5.200 . 5.700 5.081 4.460 5.290 . 0 0 "[ . 1 . 2]" 1
1108 1 75 PHE H 1 75 PHE QD 4.500 . 5.000 2.597 2.427 2.757 . 0 0 "[ . 1 . 2]" 1
1109 1 75 PHE H 1 75 PHE QE 4.500 . 5.000 4.384 4.269 4.455 . 0 0 "[ . 1 . 2]" 1
1110 1 75 PHE H 1 76 SER H 4.500 . 5.000 4.318 4.229 4.360 . 0 0 "[ . 1 . 2]" 1
1111 1 75 PHE H 1 76 SER HA 4.500 . 5.000 4.572 4.522 4.606 . 0 0 "[ . 1 . 2]" 1
1112 1 75 PHE H 1 76 SER HB3 5.200 . 5.700 5.936 5.671 6.009 0.309 5 0 "[ . 1 . 2]" 1
1113 1 75 PHE HA 1 76 SER H 3.500 . 3.800 2.403 2.279 2.481 . 0 0 "[ . 1 . 2]" 1
1114 1 75 PHE HB2 1 76 SER H 4.500 . 5.000 2.490 2.311 2.789 . 0 0 "[ . 1 . 2]" 1
1115 1 75 PHE HB3 1 76 SER H 3.500 . 3.800 3.825 3.701 3.982 0.182 8 0 "[ . 1 . 2]" 1
1116 1 75 PHE QD 1 76 SER H 4.500 . 5.000 3.627 3.410 3.944 . 0 0 "[ . 1 . 2]" 1
1117 1 75 PHE QD 1 77 ILE MG 3.500 . 3.800 3.304 2.960 3.662 . 0 0 "[ . 1 . 2]" 1
1118 1 75 PHE QE 1 77 ILE MG 3.500 . 3.800 3.071 2.767 3.384 . 0 0 "[ . 1 . 2]" 1
1119 1 75 PHE QE 1 92 VAL QG 3.500 . 3.800 2.730 2.430 3.020 . 0 0 "[ . 1 . 2]" 1
1120 1 75 PHE HZ 1 92 VAL QG 4.500 . 5.000 2.733 2.351 3.044 . 0 0 "[ . 1 . 2]" 1
1121 1 76 SER H 1 77 ILE H 4.500 . 5.000 4.485 4.463 4.514 . 0 0 "[ . 1 . 2]" 1
1122 1 76 SER HA 1 77 ILE H 3.500 . 3.800 2.461 2.429 2.469 . 0 0 "[ . 1 . 2]" 1
1123 1 76 SER HB2 1 77 ILE H 4.500 . 5.000 3.429 3.243 3.532 . 0 0 "[ . 1 . 2]" 1
1124 1 76 SER HB3 1 77 ILE H 4.500 . 5.000 3.715 3.620 3.824 . 0 0 "[ . 1 . 2]" 1
1125 1 77 ILE H 1 77 ILE MD 4.500 . 5.000 3.593 2.844 3.879 . 0 0 "[ . 1 . 2]" 1
1126 1 77 ILE H 1 77 ILE QG 3.500 . 3.800 2.009 1.922 2.182 . 0 0 "[ . 1 . 2]" 1
1127 1 77 ILE H 1 77 ILE MG 4.500 . 5.000 3.171 2.892 3.309 . 0 0 "[ . 1 . 2]" 1
1128 1 77 ILE H 1 78 CYS H 4.500 . 5.000 4.400 4.363 4.421 . 0 0 "[ . 1 . 2]" 1
1129 1 77 ILE HA 1 77 ILE MD 4.500 . 5.000 3.962 3.642 4.181 . 0 0 "[ . 1 . 2]" 1
1130 1 77 ILE HA 1 77 ILE MG 3.500 . 3.800 2.240 2.074 2.345 . 0 0 "[ . 1 . 2]" 1
1131 1 77 ILE HB 1 77 ILE MD 3.500 . 3.800 2.186 1.998 2.476 . 0 0 "[ . 1 . 2]" 1
1132 1 77 ILE HB 1 78 CYS H 3.500 . 3.800 1.969 1.829 2.072 . 0 0 "[ . 1 . 2]" 1
1133 1 77 ILE MD 1 77 ILE MG 3.500 . 3.800 2.666 1.796 3.191 0.004 4 0 "[ . 1 . 2]" 1
1134 1 77 ILE MD 1 78 CYS H 3.500 . 3.800 3.158 2.411 3.927 0.127 7 0 "[ . 1 . 2]" 1
1135 1 77 ILE MD 1 78 CYS HA 5.200 . 5.700 4.618 3.609 5.674 . 0 0 "[ . 1 . 2]" 1
1136 1 77 ILE QG 1 78 CYS H 4.500 . 5.000 3.685 3.405 3.945 . 0 0 "[ . 1 . 2]" 1
1137 1 77 ILE MG 1 78 CYS H 4.500 . 5.000 3.377 3.174 3.533 . 0 0 "[ . 1 . 2]" 1
1138 1 78 CYS H 1 79 ASP H 4.500 . 5.000 4.436 3.201 4.644 . 0 0 "[ . 1 . 2]" 1
1139 1 78 CYS HA 1 79 ASP H 3.500 . 3.800 2.693 2.374 3.556 . 0 0 "[ . 1 . 2]" 1
1140 1 78 CYS HA 1 79 ASP QB 4.500 . 5.000 4.646 4.293 4.967 . 0 0 "[ . 1 . 2]" 1
1141 1 78 CYS QB 1 79 ASP H 3.500 . 3.800 2.293 1.943 2.826 . 0 0 "[ . 1 . 2]" 1
1142 1 78 CYS QB 1 79 ASP HA 4.500 . 5.000 4.413 4.147 4.614 . 0 0 "[ . 1 . 2]" 1
1143 1 78 CYS QB 1 79 ASP QB 5.200 . 5.700 4.043 3.590 4.707 . 0 0 "[ . 1 . 2]" 1
1144 1 78 CYS QB 1 80 THR H 5.200 . 5.700 5.373 4.732 5.910 0.210 8 0 "[ . 1 . 2]" 1
1145 1 78 CYS HB2 1 79 ASP H 4.500 . 5.000 3.342 1.988 4.069 . 0 0 "[ . 1 . 2]" 1
1146 1 78 CYS HB3 1 79 ASP H 4.500 . 5.000 2.625 1.952 3.724 . 0 0 "[ . 1 . 2]" 1
1147 1 79 ASP H 1 79 ASP QB 3.500 . 3.800 2.508 2.064 3.224 . 0 0 "[ . 1 . 2]" 1
1148 1 79 ASP H 1 80 THR H 4.500 . 5.000 4.456 4.224 4.613 . 0 0 "[ . 1 . 2]" 1
1149 1 79 ASP QB 1 80 THR H 4.500 . 5.000 3.306 2.912 3.907 . 0 0 "[ . 1 . 2]" 1
1150 1 80 THR H 1 80 THR MG 4.500 . 5.000 2.756 1.949 3.884 . 0 0 "[ . 1 . 2]" 1
1151 1 80 THR H 1 81 SER H 3.500 . 3.800 2.499 1.912 3.406 . 0 0 "[ . 1 . 2]" 1
1152 1 80 THR H 1 81 SER HA 5.200 . 5.700 4.520 4.106 4.865 . 0 0 "[ . 1 . 2]" 1
1153 1 80 THR H 1 81 SER QB 4.500 . 5.000 3.952 3.621 4.774 . 0 0 "[ . 1 . 2]" 1
1154 1 80 THR HA 1 80 THR MG 3.500 . 3.800 2.746 2.071 3.227 . 0 0 "[ . 1 . 2]" 1
1155 1 80 THR MG 1 81 SER H 4.500 . 5.000 4.038 3.577 4.432 . 0 0 "[ . 1 . 2]" 1
1156 1 81 SER H 1 81 SER QB 3.500 . 3.800 2.480 2.183 2.932 . 0 0 "[ . 1 . 2]" 1
1157 1 81 SER QB 1 82 ASN H 4.500 . 5.000 3.353 2.753 4.046 . 0 0 "[ . 1 . 2]" 1
1158 1 82 ASN H 1 83 PHE H 3.500 . 3.800 2.555 1.976 3.024 . 0 0 "[ . 1 . 2]" 1
1159 1 82 ASN H 1 83 PHE QD 4.500 . 5.000 3.969 2.771 4.969 . 0 0 "[ . 1 . 2]" 1
1160 1 82 ASN HA 1 83 PHE H 3.500 . 3.800 3.186 2.828 3.548 . 0 0 "[ . 1 . 2]" 1
1161 1 82 ASN QB 1 83 PHE H 4.500 . 5.000 3.407 2.544 4.023 . 0 0 "[ . 1 . 2]" 1
1162 1 82 ASN HB2 1 83 PHE H 4.500 . 5.000 3.915 2.856 4.551 . 0 0 "[ . 1 . 2]" 1
1163 1 82 ASN HB3 1 83 PHE H 4.500 . 5.000 3.881 2.641 4.625 . 0 0 "[ . 1 . 2]" 1
1164 1 83 PHE H 1 83 PHE QB 3.500 . 3.800 2.607 2.287 2.870 . 0 0 "[ . 1 . 2]" 1
1165 1 83 PHE H 1 83 PHE QD 3.500 . 3.800 3.214 1.920 4.008 0.208 19 0 "[ . 1 . 2]" 1
1166 1 83 PHE H 1 84 SER H 4.500 . 5.000 4.412 4.270 4.557 . 0 0 "[ . 1 . 2]" 1
1167 1 83 PHE QB 1 84 SER H 3.500 . 3.800 1.977 1.936 2.211 . 0 0 "[ . 1 . 2]" 1
1168 1 83 PHE QB 1 85 ASP H 5.200 . 5.700 5.525 5.198 5.623 . 0 0 "[ . 1 . 2]" 1
1169 1 83 PHE QD 1 84 SER H 4.500 . 5.000 3.762 1.997 4.042 . 0 0 "[ . 1 . 2]" 1
1170 1 84 SER H 1 84 SER HB2 3.500 . 3.800 2.603 2.091 3.608 . 0 0 "[ . 1 . 2]" 1
1171 1 84 SER H 1 84 SER QB 3.500 . 3.800 2.396 2.068 2.954 . 0 0 "[ . 1 . 2]" 1
1172 1 84 SER H 1 84 SER HB3 3.500 . 3.800 3.222 2.382 3.633 . 0 0 "[ . 1 . 2]" 1
1173 1 84 SER H 1 85 ASP H 4.500 . 5.000 4.503 4.200 4.594 . 0 0 "[ . 1 . 2]" 1
1174 1 84 SER QB 1 85 ASP H 4.500 . 5.000 2.439 1.966 3.255 . 0 0 "[ . 1 . 2]" 1
1175 1 84 SER HB2 1 85 ASP H 4.500 . 5.000 3.343 2.149 4.112 . 0 0 "[ . 1 . 2]" 1
1176 1 84 SER HB3 1 85 ASP H 4.500 . 5.000 2.645 1.985 3.748 . 0 0 "[ . 1 . 2]" 1
1177 1 85 ASP H 1 85 ASP HB2 3.500 . 3.800 2.572 2.099 3.702 . 0 0 "[ . 1 . 2]" 1
1178 1 85 ASP H 1 85 ASP HB3 3.500 . 3.800 3.126 2.632 3.637 . 0 0 "[ . 1 . 2]" 1
1179 1 85 ASP H 1 86 TYR H 4.500 . 5.000 4.516 4.390 4.632 . 0 0 "[ . 1 . 2]" 1
1180 1 85 ASP HA 1 86 TYR H 3.500 . 3.800 2.190 2.139 2.290 . 0 0 "[ . 1 . 2]" 1
1181 1 85 ASP HA 1 86 TYR QB 4.500 . 5.000 4.091 4.066 4.177 . 0 0 "[ . 1 . 2]" 1
1182 1 85 ASP HB3 1 86 TYR H 4.500 . 5.000 3.603 2.978 4.222 . 0 0 "[ . 1 . 2]" 1
1183 1 86 TYR H 1 86 TYR QB 3.500 . 3.800 2.254 2.216 2.278 . 0 0 "[ . 1 . 2]" 1
1184 1 86 TYR H 1 86 TYR QD 4.500 . 5.000 4.185 4.152 4.199 . 0 0 "[ . 1 . 2]" 1
1185 1 86 TYR H 1 87 ILE H 4.500 . 5.000 4.576 4.464 4.625 . 0 0 "[ . 1 . 2]" 1
1186 1 86 TYR HA 1 87 ILE H 3.500 . 3.800 2.195 2.142 2.254 . 0 0 "[ . 1 . 2]" 1
1187 1 86 TYR HA 1 88 ARG H 4.500 . 5.000 4.485 4.049 4.683 . 0 0 "[ . 1 . 2]" 1
1188 1 86 TYR QB 1 87 ILE H 4.500 . 5.000 3.660 3.532 3.853 . 0 0 "[ . 1 . 2]" 1
1189 1 86 TYR QB 1 88 ARG H 5.200 . 5.700 5.412 4.979 5.667 . 0 0 "[ . 1 . 2]" 1
1190 1 86 TYR QD 1 87 ILE H 4.500 . 5.000 3.337 2.095 3.737 . 0 0 "[ . 1 . 2]" 1
1191 1 86 TYR QD 1 88 ARG H 4.500 . 5.000 4.357 3.320 4.742 . 0 0 "[ . 1 . 2]" 1
1192 1 87 ILE H 1 87 ILE MD 4.500 . 5.000 3.795 3.262 4.001 . 0 0 "[ . 1 . 2]" 1
1193 1 87 ILE H 1 87 ILE QG 4.500 . 5.000 2.543 2.336 2.827 . 0 0 "[ . 1 . 2]" 1
1194 1 87 ILE H 1 87 ILE MG 4.500 . 5.000 3.880 3.839 3.913 . 0 0 "[ . 1 . 2]" 1
1195 1 87 ILE H 1 88 ARG H 3.500 . 3.800 2.398 2.225 2.560 . 0 0 "[ . 1 . 2]" 1
1196 1 87 ILE H 1 88 ARG HA 4.500 . 5.000 4.503 4.378 4.710 . 0 0 "[ . 1 . 2]" 1
1197 1 87 ILE H 1 88 ARG HB2 5.200 . 5.700 5.062 4.972 5.137 . 0 0 "[ . 1 . 2]" 1
1198 1 87 ILE H 1 88 ARG QG 5.200 . 5.700 5.574 5.302 6.030 0.330 18 0 "[ . 1 . 2]" 1
1199 1 87 ILE HA 1 87 ILE MD 4.500 . 5.000 3.898 3.847 3.927 . 0 0 "[ . 1 . 2]" 1
1200 1 87 ILE HA 1 87 ILE MG 3.500 . 3.800 2.312 2.196 2.373 . 0 0 "[ . 1 . 2]" 1
1201 1 87 ILE HB 1 88 ARG H 4.500 . 5.000 2.076 1.956 2.425 . 0 0 "[ . 1 . 2]" 1
1202 1 87 ILE MD 1 88 ARG H 4.500 . 5.000 3.992 3.702 4.236 . 0 0 "[ . 1 . 2]" 1
1203 1 87 ILE QG 1 88 ARG H 4.500 . 5.000 3.749 3.689 3.880 . 0 0 "[ . 1 . 2]" 1
1204 1 87 ILE MG 1 88 ARG H 3.500 . 3.800 3.168 2.783 3.485 . 0 0 "[ . 1 . 2]" 1
1205 1 87 ILE MG 1 88 ARG HA 4.500 . 5.000 4.194 3.939 4.462 . 0 0 "[ . 1 . 2]" 1
1206 1 87 ILE MG 1 88 ARG HB2 3.500 . 3.800 2.746 2.455 3.026 . 0 0 "[ . 1 . 2]" 1
1207 1 87 ILE MG 1 88 ARG HD2 4.500 . 5.000 5.129 3.073 5.788 0.788 19 8 "[ * ** *-* * . +2]" 1
1208 1 87 ILE MG 1 88 ARG QD 4.500 . 5.000 4.528 1.802 5.006 0.006 13 0 "[ . 1 . 2]" 1
1209 1 87 ILE MG 1 88 ARG HD3 4.500 . 5.000 5.172 1.815 5.848 0.848 13 8 "[ * *-* * * +*. 2]" 1
1210 1 87 ILE MG 1 88 ARG QG 3.500 . 3.800 3.249 2.783 3.541 . 0 0 "[ . 1 . 2]" 1
1211 1 87 ILE MG 1 89 GLY H 5.200 . 5.700 5.791 5.506 5.940 0.240 19 0 "[ . 1 . 2]" 1
1212 1 88 ARG H 1 88 ARG HD2 5.200 . 5.700 5.332 4.317 5.880 0.180 7 0 "[ . 1 . 2]" 1
1213 1 88 ARG H 1 88 ARG QD 4.500 . 5.000 4.630 3.140 5.017 0.017 2 0 "[ . 1 . 2]" 1
1214 1 88 ARG H 1 88 ARG HD3 5.200 . 5.700 5.217 3.225 5.987 0.287 1 0 "[ . 1 . 2]" 1
1215 1 88 ARG H 1 88 ARG QG 3.500 . 3.800 3.947 3.748 4.166 0.366 18 0 "[ . 1 . 2]" 1
1216 1 88 ARG H 1 89 GLY H 4.500 . 5.000 4.383 4.343 4.402 . 0 0 "[ . 1 . 2]" 1
1217 1 88 ARG HA 1 89 GLY H 3.500 . 3.800 2.583 2.430 2.721 . 0 0 "[ . 1 . 2]" 1
1218 1 88 ARG HB2 1 89 GLY H 3.500 . 3.800 3.753 3.540 3.978 0.178 9 0 "[ . 1 . 2]" 1
1219 1 88 ARG HB3 1 89 GLY H 3.500 . 3.800 2.311 1.985 2.645 . 0 0 "[ . 1 . 2]" 1
1220 1 88 ARG QD 1 89 GLY H 4.500 . 5.000 2.561 1.982 4.382 . 0 0 "[ . 1 . 2]" 1
1221 1 88 ARG HD2 1 89 GLY H 4.500 . 5.000 3.031 1.998 4.885 . 0 0 "[ . 1 . 2]" 1
1222 1 88 ARG HD3 1 89 GLY H 4.500 . 5.000 3.064 2.253 4.954 . 0 0 "[ . 1 . 2]" 1
1223 1 88 ARG QG 1 89 GLY H 4.500 . 5.000 3.358 2.503 3.816 . 0 0 "[ . 1 . 2]" 1
1224 1 89 GLY H 1 90 GLY H 4.500 . 5.000 4.411 4.304 4.578 . 0 0 "[ . 1 . 2]" 1
1225 1 89 GLY HA2 1 90 GLY H 3.500 . 3.800 2.830 2.598 2.942 . 0 0 "[ . 1 . 2]" 1
1226 1 89 GLY HA3 1 90 GLY H 3.500 . 3.800 2.341 2.252 2.531 . 0 0 "[ . 1 . 2]" 1
1227 1 90 GLY H 1 91 ILE H 4.500 . 5.000 3.543 3.261 3.900 . 0 0 "[ . 1 . 2]" 1
1228 1 90 GLY H 1 91 ILE HB 4.500 . 5.000 5.296 5.066 5.456 0.456 20 0 "[ . 1 . 2]" 1
1229 1 90 GLY H 1 91 ILE MD 4.500 . 5.000 3.128 2.028 4.466 . 0 0 "[ . 1 . 2]" 1
1230 1 90 GLY H 1 91 ILE QG 4.500 . 5.000 3.383 3.058 3.882 . 0 0 "[ . 1 . 2]" 1
1231 1 90 GLY HA2 1 91 ILE H 3.500 . 3.800 3.283 3.100 3.387 . 0 0 "[ . 1 . 2]" 1
1232 1 90 GLY HA3 1 91 ILE H 3.500 . 3.800 2.115 2.096 2.150 . 0 0 "[ . 1 . 2]" 1
1233 1 91 ILE H 1 91 ILE HB 3.500 . 3.800 2.737 2.654 2.832 . 0 0 "[ . 1 . 2]" 1
1234 1 91 ILE H 1 91 ILE MD 4.500 . 5.000 2.930 2.030 4.067 . 0 0 "[ . 1 . 2]" 1
1235 1 91 ILE H 1 91 ILE QG 4.500 . 5.000 2.927 2.308 3.474 . 0 0 "[ . 1 . 2]" 1
1236 1 91 ILE H 1 91 ILE MG 4.500 . 5.000 3.887 3.856 3.923 . 0 0 "[ . 1 . 2]" 1
1237 1 91 ILE HA 1 91 ILE MD 4.500 . 5.000 3.362 2.008 3.876 . 0 0 "[ . 1 . 2]" 1
1238 1 91 ILE HA 1 91 ILE MG 3.500 . 3.800 2.347 2.174 2.417 . 0 0 "[ . 1 . 2]" 1
1239 1 91 ILE HA 1 92 VAL H 3.500 . 3.800 2.170 2.149 2.195 . 0 0 "[ . 1 . 2]" 1
1240 1 91 ILE HB 1 91 ILE MD 3.500 . 3.800 2.410 2.045 3.229 . 0 0 "[ . 1 . 2]" 1
1241 1 91 ILE HB 1 92 VAL H 4.500 . 5.000 4.036 3.928 4.194 . 0 0 "[ . 1 . 2]" 1
1242 1 91 ILE MD 1 92 VAL H 5.200 . 5.700 4.866 3.789 5.215 . 0 0 "[ . 1 . 2]" 1
1243 1 91 ILE MG 1 92 VAL H 3.500 . 3.800 2.456 2.170 2.666 . 0 0 "[ . 1 . 2]" 1
1244 1 91 ILE MG 1 93 SER H 4.500 . 5.000 4.182 3.826 4.495 . 0 0 "[ . 1 . 2]" 1
1245 1 92 VAL H 1 92 VAL QG 3.500 . 3.800 1.966 1.912 2.031 . 0 0 "[ . 1 . 2]" 1
1246 1 92 VAL H 1 93 SER H 4.500 . 5.000 4.340 4.184 4.451 . 0 0 "[ . 1 . 2]" 1
1247 1 92 VAL HA 1 93 SER H 3.500 . 3.800 2.140 2.128 2.173 . 0 0 "[ . 1 . 2]" 1
1248 1 92 VAL QG 1 93 SER H 3.500 . 3.800 2.817 2.400 3.125 . 0 0 "[ . 1 . 2]" 1
1249 1 92 VAL QG 1 93 SER HA 4.500 . 5.000 3.466 3.312 3.581 . 0 0 "[ . 1 . 2]" 1
1250 1 93 SER H 1 93 SER HB3 3.500 . 3.800 3.658 3.425 3.812 0.012 13 0 "[ . 1 . 2]" 1
1251 1 93 SER H 1 95 VAL QG 5.200 . 5.700 5.128 4.509 5.955 0.255 11 0 "[ . 1 . 2]" 1
1252 1 93 SER HA 1 94 GLN H 3.500 . 3.800 2.361 2.143 2.635 . 0 0 "[ . 1 . 2]" 1
1253 1 93 SER HB2 1 94 GLN H 3.500 . 3.800 3.866 3.232 4.324 0.524 8 1 "[ . + 1 . 2]" 1
1254 1 93 SER HB3 1 94 GLN H 4.500 . 5.000 2.657 2.002 3.398 . 0 0 "[ . 1 . 2]" 1
1255 1 94 GLN H 1 94 GLN HG2 4.500 . 5.000 4.382 2.898 4.645 . 0 0 "[ . 1 . 2]" 1
1256 1 94 GLN H 1 94 GLN QG 4.500 . 5.000 3.910 2.054 4.095 . 0 0 "[ . 1 . 2]" 1
1257 1 94 GLN H 1 94 GLN HG3 4.500 . 5.000 4.434 2.101 4.766 . 0 0 "[ . 1 . 2]" 1
1258 1 94 GLN HA 1 94 GLN QG 3.500 . 3.800 2.400 2.096 3.364 . 0 0 "[ . 1 . 2]" 1
1259 1 94 GLN HA 1 95 VAL H 3.500 . 3.800 2.190 2.121 2.286 . 0 0 "[ . 1 . 2]" 1
1260 1 94 GLN HA 1 95 VAL QG 4.500 . 5.000 3.492 2.993 4.363 . 0 0 "[ . 1 . 2]" 1
1261 1 94 GLN QG 1 95 VAL H 4.500 . 5.000 3.403 2.708 4.451 . 0 0 "[ . 1 . 2]" 1
1262 1 94 GLN HG2 1 95 VAL H 5.200 . 5.700 3.662 2.754 5.737 0.037 13 0 "[ . 1 . 2]" 1
1263 1 94 GLN HG3 1 95 VAL H 5.200 . 5.700 4.466 3.702 5.198 . 0 0 "[ . 1 . 2]" 1
1264 1 95 VAL H 1 95 VAL HB 3.500 . 3.800 3.428 2.076 3.928 0.128 11 0 "[ . 1 . 2]" 1
1265 1 95 VAL H 1 95 VAL MG1 3.500 . 3.800 2.664 2.209 3.605 . 0 0 "[ . 1 . 2]" 1
1266 1 95 VAL H 1 95 VAL QG 3.500 . 3.800 2.173 1.890 2.906 . 0 0 "[ . 1 . 2]" 1
1267 1 95 VAL H 1 95 VAL MG2 3.500 . 3.800 2.359 2.016 3.523 . 0 0 "[ . 1 . 2]" 1
1268 1 95 VAL HA 1 95 VAL MG1 3.500 . 3.800 2.321 2.030 3.073 . 0 0 "[ . 1 . 2]" 1
1269 1 95 VAL HA 1 95 VAL MG2 3.500 . 3.800 2.948 1.930 3.205 . 0 0 "[ . 1 . 2]" 1
1270 1 95 VAL HA 1 96 LYS H 3.500 . 3.800 2.420 2.141 3.526 . 0 0 "[ . 1 . 2]" 1
1271 1 95 VAL HA 1 97 VAL H 4.500 . 5.000 4.467 3.195 5.027 0.027 18 0 "[ . 1 . 2]" 1
1272 1 95 VAL QG 1 96 LYS H 4.500 . 5.000 3.019 1.947 3.672 . 0 0 "[ . 1 . 2]" 1
1273 1 95 VAL QG 1 97 VAL H 4.500 . 5.000 3.640 1.831 5.293 0.293 15 0 "[ . 1 . 2]" 1
1274 1 95 VAL MG1 1 96 LYS H 4.500 . 5.000 3.338 1.951 4.333 . 0 0 "[ . 1 . 2]" 1
1275 1 95 VAL MG2 1 96 LYS H 4.500 . 5.000 3.723 2.450 4.484 . 0 0 "[ . 1 . 2]" 1
1276 1 96 LYS H 1 96 LYS QB 3.500 . 3.800 2.678 2.151 3.282 . 0 0 "[ . 1 . 2]" 1
1277 1 96 LYS H 1 96 LYS QD 4.500 . 5.000 4.270 2.358 4.992 . 0 0 "[ . 1 . 2]" 1
1278 1 96 LYS H 1 96 LYS QG 4.500 . 5.000 3.467 2.027 4.301 . 0 0 "[ . 1 . 2]" 1
1279 1 96 LYS H 1 97 VAL H 4.500 . 5.000 2.713 2.007 4.162 . 0 0 "[ . 1 . 2]" 1
1280 1 96 LYS HA 1 96 LYS QD 4.500 . 5.000 3.530 2.091 4.197 . 0 0 "[ . 1 . 2]" 1
1281 1 96 LYS HA 1 97 VAL H 3.500 . 3.800 3.044 2.222 3.571 . 0 0 "[ . 1 . 2]" 1
1282 1 96 LYS QB 1 97 VAL H 4.500 . 5.000 3.296 1.976 4.042 . 0 0 "[ . 1 . 2]" 1
1283 1 96 LYS QD 1 97 VAL H 4.500 . 5.000 4.375 3.218 4.999 . 0 0 "[ . 1 . 2]" 1
1284 1 96 LYS QG 1 97 VAL H 4.500 . 5.000 3.789 2.709 4.707 . 0 0 "[ . 1 . 2]" 1
1285 1 97 VAL H 1 98 PRO HD2 5.200 . 5.700 4.034 2.243 5.017 . 0 0 "[ . 1 . 2]" 1
1286 1 97 VAL H 1 98 PRO HD3 5.200 . 5.700 3.414 1.949 4.887 . 0 0 "[ . 1 . 2]" 1
1287 1 97 VAL HA 1 98 PRO HD2 3.500 . 3.800 2.473 1.985 4.324 0.524 13 1 "[ . 1 + . 2]" 1
1288 1 97 VAL HA 1 98 PRO HD3 3.500 . 3.800 2.603 2.046 3.745 . 0 0 "[ . 1 . 2]" 1
1289 1 97 VAL HA 1 98 PRO HG2 5.200 . 5.700 4.562 4.159 6.065 0.365 7 0 "[ . 1 . 2]" 1
1290 1 97 VAL HA 1 98 PRO HG3 5.200 . 5.700 4.600 4.241 5.610 . 0 0 "[ . 1 . 2]" 1
1291 1 97 VAL QG 1 98 PRO QD 4.500 . 5.000 2.893 1.854 3.438 . 0 0 "[ . 1 . 2]" 1
1292 1 97 VAL MG1 1 98 PRO HD2 5.200 . 5.700 3.654 1.873 4.952 . 0 0 "[ . 1 . 2]" 1
1293 1 97 VAL MG1 1 98 PRO HD3 5.200 . 5.700 4.034 3.210 4.756 . 0 0 "[ . 1 . 2]" 1
1294 1 97 VAL MG2 1 98 PRO HD2 5.200 . 5.700 3.986 2.972 4.696 . 0 0 "[ . 1 . 2]" 1
1295 1 97 VAL MG2 1 98 PRO HD3 5.200 . 5.700 4.208 2.432 4.748 . 0 0 "[ . 1 . 2]" 1
1296 1 98 PRO HA 1 99 LYS H 3.500 . 3.800 2.783 2.154 3.575 . 0 0 "[ . 1 . 2]" 1
1297 1 98 PRO QB 1 99 LYS H 3.500 . 3.800 2.922 1.980 3.981 0.181 14 0 "[ . 1 . 2]" 1
1298 1 100 LYS HA 1 101 ILE H 3.500 . 3.800 2.544 2.145 3.570 . 0 0 "[ . 1 . 2]" 1
1299 1 100 LYS QB 1 101 ILE H 4.500 . 5.000 3.286 2.061 4.041 . 0 0 "[ . 1 . 2]" 1
1300 1 105 SER QB 1 106 LEU H 4.500 . 5.000 3.175 1.996 4.035 . 0 0 "[ . 1 . 2]" 1
1301 1 107 PRO QB 1 108 ALA H 4.500 . 5.000 2.904 1.960 4.015 . 0 0 "[ . 1 . 2]" 1
1302 1 108 ALA H 1 109 SER H 5.200 . 5.700 3.844 2.178 4.587 . 0 0 "[ . 1 . 2]" 1
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