Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
522399 | 2lko RC | 18002 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lko
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 1589
_Distance_constraint_stats_list.Viol_count 2972
_Distance_constraint_stats_list.Viol_total 6507.700
_Distance_constraint_stats_list.Viol_max 1.449
_Distance_constraint_stats_list.Viol_rms 0.0559
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.1095
_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 4 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 0.392 0.262 6 0 "[ . 1 . 2]"
1 7 ILE 4.466 0.395 2 0 "[ . 1 . 2]"
1 8 THR 2.404 0.325 6 0 "[ . 1 . 2]"
1 9 SER 1.869 0.325 6 0 "[ . 1 . 2]"
1 10 ILE 2.730 0.321 6 0 "[ . 1 . 2]"
1 11 PRO 0.544 0.117 12 0 "[ . 1 . 2]"
1 12 GLU 2.811 0.332 11 0 "[ . 1 . 2]"
1 13 LEU 8.527 0.405 2 0 "[ . 1 . 2]"
1 14 ALA 2.302 0.341 20 0 "[ . 1 . 2]"
1 15 ASP 3.417 0.341 20 0 "[ . 1 . 2]"
1 16 TYR 0.973 0.103 1 0 "[ . 1 . 2]"
1 17 ILE 11.233 0.635 15 4 "[ . -* 1 * + 2]"
1 18 LYS 4.044 0.296 20 0 "[ . 1 . 2]"
1 19 VAL 23.903 1.235 5 18 "[****+** ******* **-*]"
1 20 PHE 0.969 0.265 7 0 "[ . 1 . 2]"
1 21 LYS 6.509 0.547 8 1 "[ . + 1 . 2]"
1 22 PRO 0.899 0.285 18 0 "[ . 1 . 2]"
1 23 LYS 14.326 0.404 12 0 "[ . 1 . 2]"
1 24 LYS 8.158 0.289 16 0 "[ . 1 . 2]"
1 25 LEU 3.214 0.226 4 0 "[ . 1 . 2]"
1 26 THR 2.158 0.320 10 0 "[ . 1 . 2]"
1 27 LEU 12.440 0.386 4 0 "[ . 1 . 2]"
1 28 LYS 8.019 0.381 12 0 "[ . 1 . 2]"
1 29 GLY 4.753 0.381 12 0 "[ . 1 . 2]"
1 30 TYR 2.920 0.187 11 0 "[ . 1 . 2]"
1 31 LYS 8.709 0.318 13 0 "[ . 1 . 2]"
1 32 GLN 5.138 0.233 7 0 "[ . 1 . 2]"
1 33 TYR 5.824 0.455 18 0 "[ . 1 . 2]"
1 34 TRP 5.140 0.455 18 0 "[ . 1 . 2]"
1 35 CYS 0.635 0.105 13 0 "[ . 1 . 2]"
1 36 THR 0.068 0.036 9 0 "[ . 1 . 2]"
1 37 PHE 1.328 0.188 12 0 "[ . 1 . 2]"
1 38 LYS 4.004 0.214 1 0 "[ . 1 . 2]"
1 39 ASP 4.054 0.228 6 0 "[ . 1 . 2]"
1 40 THR 0.319 0.228 6 0 "[ . 1 . 2]"
1 41 SER 1.732 0.117 15 0 "[ . 1 . 2]"
1 42 ILE 2.974 0.216 15 0 "[ . 1 . 2]"
1 43 SER 3.052 0.161 11 0 "[ . 1 . 2]"
1 44 CYS 3.615 0.207 10 0 "[ . 1 . 2]"
1 45 TYR 3.501 0.255 16 0 "[ . 1 . 2]"
1 46 LYS 11.644 1.449 17 5 "[* *-. 1 . +* 2]"
1 47 SER 3.053 0.256 12 0 "[ . 1 . 2]"
1 48 LYS 2.195 0.282 6 0 "[ . 1 . 2]"
1 49 GLU 1.604 0.282 6 0 "[ . 1 . 2]"
1 50 GLU 4.235 0.215 18 0 "[ . 1 . 2]"
1 51 SER 2.459 0.215 18 0 "[ . 1 . 2]"
1 52 SER 1.005 0.141 5 0 "[ . 1 . 2]"
1 53 GLY 1.505 0.177 19 0 "[ . 1 . 2]"
1 54 THR 2.153 0.215 2 0 "[ . 1 . 2]"
1 55 PRO 2.538 0.207 10 0 "[ . 1 . 2]"
1 56 ALA 0.025 0.025 14 0 "[ . 1 . 2]"
1 57 HIS 0.110 0.040 14 0 "[ . 1 . 2]"
1 58 GLN 1.776 0.228 17 0 "[ . 1 . 2]"
1 59 MET 4.235 0.309 18 0 "[ . 1 . 2]"
1 60 ASN 0.636 0.309 18 0 "[ . 1 . 2]"
1 61 LEU 3.939 0.395 18 0 "[ . 1 . 2]"
1 62 ARG 2.779 0.163 1 0 "[ . 1 . 2]"
1 63 GLY 2.518 0.171 17 0 "[ . 1 . 2]"
1 64 CYS 3.852 0.291 3 0 "[ . 1 . 2]"
1 65 GLU 5.157 0.207 17 0 "[ . 1 . 2]"
1 66 VAL 15.213 0.698 16 8 "[ * * * **+- *2]"
1 67 THR 2.887 0.187 4 0 "[ . 1 . 2]"
1 68 PRO 0.031 0.031 1 0 "[ . 1 . 2]"
1 69 ASP 2.898 0.166 8 0 "[ . 1 . 2]"
1 70 VAL 27.318 1.059 18 20 [******-**********+**]
1 71 ASN 10.411 0.968 5 9 "[ * +*-* 1 *** *2]"
1 72 ILE 3.979 0.372 19 0 "[ . 1 . 2]"
1 73 SER 0.521 0.095 19 0 "[ . 1 . 2]"
1 74 GLY 2.353 0.407 15 0 "[ . 1 . 2]"
1 75 GLN 4.155 0.407 15 0 "[ . 1 . 2]"
1 76 LYS 9.044 0.372 19 0 "[ . 1 . 2]"
1 77 PHE 5.278 0.219 7 0 "[ . 1 . 2]"
1 78 ASN 2.043 0.151 9 0 "[ . 1 . 2]"
1 79 ILE 2.406 0.222 12 0 "[ . 1 . 2]"
1 80 LYS 4.840 0.222 12 0 "[ . 1 . 2]"
1 81 LEU 3.076 0.235 11 0 "[ . 1 . 2]"
1 82 LEU 1.769 0.143 18 0 "[ . 1 . 2]"
1 83 ILE 0.653 0.172 20 0 "[ . 1 . 2]"
1 84 PRO 1.682 0.177 17 0 "[ . 1 . 2]"
1 85 VAL 1.618 0.259 3 0 "[ . 1 . 2]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 1.966 0.259 3 0 "[ . 1 . 2]"
1 88 GLY 1.211 0.099 13 0 "[ . 1 . 2]"
1 89 MET 1.532 0.361 9 0 "[ . 1 . 2]"
1 90 ASN 2.228 0.115 13 0 "[ . 1 . 2]"
1 91 GLU 6.374 0.396 14 0 "[ . 1 . 2]"
1 92 ILE 2.629 0.194 1 0 "[ . 1 . 2]"
1 93 TRP 6.076 0.265 7 0 "[ . 1 . 2]"
1 94 LEU 4.674 0.258 12 0 "[ . 1 . 2]"
1 95 ARG 20.346 1.235 5 18 "[****+** ******* **-*]"
1 96 CYS 2.159 0.296 20 0 "[ . 1 . 2]"
1 97 ASP 4.900 0.209 10 0 "[ . 1 . 2]"
1 98 ASN 2.554 0.201 3 0 "[ . 1 . 2]"
1 99 GLU 4.010 0.188 9 0 "[ . 1 . 2]"
1 100 LYS 4.184 0.202 6 0 "[ . 1 . 2]"
1 101 GLN 3.113 0.202 6 0 "[ . 1 . 2]"
1 102 TYR 0.576 0.134 20 0 "[ . 1 . 2]"
1 103 ALA 1.206 0.182 4 0 "[ . 1 . 2]"
1 104 HIS 0.297 0.041 17 0 "[ . 1 . 2]"
1 105 TRP 1.435 0.137 18 0 "[ . 1 . 2]"
1 106 MET 1.866 0.212 3 0 "[ . 1 . 2]"
1 107 ALA 4.304 0.565 9 1 "[ . +1 . 2]"
1 108 ALA 7.147 0.565 9 1 "[ . +1 . 2]"
1 109 CYS 0.187 0.102 5 0 "[ . 1 . 2]"
1 110 ARG 10.160 0.698 16 8 "[ * * * **+- *2]"
1 111 LEU 1.967 0.226 17 0 "[ . 1 . 2]"
1 112 ALA 1.412 0.291 3 0 "[ . 1 . 2]"
1 113 SER 1.117 0.171 17 0 "[ . 1 . 2]"
1 114 LYS 4.671 0.219 5 0 "[ . 1 . 2]"
1 115 GLY 0.872 0.192 18 0 "[ . 1 . 2]"
1 116 LYS 3.294 0.280 5 0 "[ . 1 . 2]"
1 117 THR 6.839 0.412 9 0 "[ . 1 . 2]"
1 118 MET 5.692 0.412 9 0 "[ . 1 . 2]"
1 119 ALA 2.817 0.286 3 0 "[ . 1 . 2]"
1 120 ASP 4.685 0.219 5 0 "[ . 1 . 2]"
1 121 SER 0.419 0.097 17 0 "[ . 1 . 2]"
1 122 SER 0.258 0.184 20 0 "[ . 1 . 2]"
1 123 TYR 4.278 0.786 19 3 "[ . -1* . +2]"
1 124 ASN 0.667 0.120 1 0 "[ . 1 . 2]"
1 125 LEU 1.504 0.120 1 0 "[ . 1 . 2]"
1 126 GLU 2.143 0.133 15 0 "[ . 1 . 2]"
1 127 VAL 2.012 0.247 15 0 "[ . 1 . 2]"
1 128 GLN 3.125 0.202 9 0 "[ . 1 . 2]"
1 129 ASN 5.074 0.315 9 0 "[ . 1 . 2]"
1 130 ILE 2.159 0.202 19 0 "[ . 1 . 2]"
1 131 LEU 0.581 0.124 16 0 "[ . 1 . 2]"
1 132 SER 0.846 0.202 19 0 "[ . 1 . 2]"
1 133 PHE 1.130 0.118 3 0 "[ . 1 . 2]"
1 134 LEU 16.305 1.252 17 9 "[* *.-* * * .*+ *]"
1 135 LYS 4.096 0.274 16 0 "[ . 1 . 2]"
1 136 MET 5.602 0.354 3 0 "[ . 1 . 2]"
1 137 GLN 0.198 0.098 6 0 "[ . 1 . 2]"
1 138 HIS 0.641 0.098 6 0 "[ . 1 . 2]"
2 1 4IP 9.027 1.449 17 5 "[* *-. 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 58 GLN HA 1 58 GLN HB3 2.300 . 3.000 2.593 2.308 3.026 0.026 14 0 "[ . 1 . 2]" 1
2 1 75 GLN HA 1 75 GLN HG2 2.100 . 6.000 3.185 2.627 3.976 . 0 0 "[ . 1 . 2]" 1
3 1 65 GLU HB3 1 84 PRO HD2 2.100 . 6.000 6.047 5.975 6.112 0.112 11 0 "[ . 1 . 2]" 1
4 1 9 SER HA 1 11 PRO HD2 2.100 . 6.000 3.153 2.409 6.025 0.025 6 0 "[ . 1 . 2]" 1
5 1 27 LEU HA 1 27 LEU HB2 2.100 . 2.600 2.699 2.423 2.986 0.386 4 0 "[ . 1 . 2]" 1
6 1 14 ALA HA 1 14 ALA MB 2.200 . 2.800 2.137 2.128 2.142 . 0 0 "[ . 1 . 2]" 1
7 1 66 VAL HA 1 66 VAL MG2 3.200 2.600 3.800 2.549 2.293 3.209 0.307 18 0 "[ . 1 . 2]" 1
8 1 112 ALA MB 1 113 SER HA 4.000 . 6.000 3.904 3.753 3.966 . 0 0 "[ . 1 . 2]" 1
9 1 17 ILE HA 1 17 ILE MD 2.200 . 6.000 3.607 3.093 3.744 . 0 0 "[ . 1 . 2]" 1
10 1 17 ILE MD 1 17 ILE HG12 2.200 . 2.800 2.141 2.109 2.167 . 0 0 "[ . 1 . 2]" 1
11 1 71 ASN HA 1 71 ASN HB2 2.500 . 3.100 3.023 2.935 3.040 . 0 0 "[ . 1 . 2]" 1
12 1 67 THR HA 1 67 THR HB 2.200 . 6.000 3.018 2.908 3.030 . 0 0 "[ . 1 . 2]" 1
13 1 82 LEU HA 1 82 LEU MD1 2.200 . 2.800 2.138 2.070 2.266 . 0 0 "[ . 1 . 2]" 1
14 1 17 ILE MD 1 17 ILE MG 2.300 . 2.900 2.017 1.824 2.762 . 0 0 "[ . 1 . 2]" 1
15 1 130 ILE HA 1 130 ILE HG12 2.300 . 6.000 3.462 3.225 4.202 . 0 0 "[ . 1 . 2]" 1
16 1 33 TYR HA 1 33 TYR HB3 2.300 . 2.900 2.695 2.406 3.007 0.107 14 0 "[ . 1 . 2]" 1
17 1 17 ILE HB 1 17 ILE HG12 3.000 2.400 3.600 2.777 2.553 3.024 . 0 0 "[ . 1 . 2]" 1
18 1 84 PRO HA 1 84 PRO HD2 2.300 . 5.200 4.100 3.957 4.126 . 0 0 "[ . 1 . 2]" 1
19 1 83 ILE MG 1 84 PRO HD2 2.300 . 3.000 2.277 2.065 2.937 . 0 0 "[ . 1 . 2]" 1
20 1 68 PRO HA 1 68 PRO HB3 2.300 . 3.000 2.327 2.296 2.337 . 0 0 "[ . 1 . 2]" 1
21 1 136 MET HA 1 136 MET HG3 3.300 2.600 4.000 3.621 3.135 3.809 . 0 0 "[ . 1 . 2]" 1
22 1 84 PRO HA 1 84 PRO HB2 2.400 . 3.100 2.730 2.700 2.989 . 0 0 "[ . 1 . 2]" 1
23 1 87 GLU HB2 1 89 MET HA 2.400 . 6.000 5.745 5.440 5.954 . 0 0 "[ . 1 . 2]" 1
24 1 13 LEU MD2 1 108 ALA MB 5.000 3.000 7.000 2.875 2.595 3.323 0.405 2 0 "[ . 1 . 2]" 1
25 1 84 PRO HD2 1 84 PRO HG2 2.400 . 3.100 2.327 2.318 2.337 . 0 0 "[ . 1 . 2]" 1
26 1 41 SER HA 1 60 ASN HA 2.400 . 6.000 2.602 2.280 4.824 . 0 0 "[ . 1 . 2]" 1
27 1 120 ASP HA 1 120 ASP HB3 2.400 . 3.100 2.971 2.656 3.033 . 0 0 "[ . 1 . 2]" 1
28 1 99 GLU HA 1 99 GLU HB2 2.400 . 3.100 2.618 2.442 3.009 . 0 0 "[ . 1 . 2]" 1
29 1 95 ARG HA 1 95 ARG HB2 2.400 . 3.100 2.588 2.434 2.676 . 0 0 "[ . 1 . 2]" 1
30 1 50 GLU HA 1 50 GLU HB2 2.400 . 3.100 3.019 2.959 3.034 . 0 0 "[ . 1 . 2]" 1
31 1 81 LEU HA 1 81 LEU MD2 2.400 . 3.100 2.130 2.077 2.186 . 0 0 "[ . 1 . 2]" 1
32 1 19 VAL HA 1 19 VAL MG2 3.400 2.700 4.100 2.493 2.255 2.946 0.445 19 0 "[ . 1 . 2]" 1
33 1 19 VAL HA 1 19 VAL MG1 3.400 2.700 4.100 3.167 2.980 3.202 . 0 0 "[ . 1 . 2]" 1
34 1 126 GLU HA 1 129 ASN HB2 4.000 . 6.000 2.939 2.459 3.403 . 0 0 "[ . 1 . 2]" 1
35 1 125 LEU HA 1 125 LEU HB2 2.400 . 3.100 2.806 2.602 3.017 . 0 0 "[ . 1 . 2]" 1
36 1 17 ILE HG12 1 19 VAL HB 2.500 . 6.000 4.577 3.724 5.769 . 0 0 "[ . 1 . 2]" 1
37 1 35 CYS HA 1 35 CYS HB2 2.500 . 3.300 2.499 2.332 3.034 . 0 0 "[ . 1 . 2]" 1
38 1 42 ILE HB 1 42 ILE HG13 2.500 . 3.300 2.596 2.326 3.036 . 0 0 "[ . 1 . 2]" 1
39 1 85 VAL HA 1 85 VAL MG1 2.500 . 3.300 2.356 2.277 2.450 . 0 0 "[ . 1 . 2]" 1
40 1 47 SER HA 1 47 SER HB3 2.500 . 3.300 2.622 2.307 3.034 . 0 0 "[ . 1 . 2]" 1
41 1 89 MET HA 1 89 MET HG3 2.500 . 3.300 3.309 2.974 3.661 0.361 9 0 "[ . 1 . 2]" 1
42 1 82 LEU MD1 1 91 GLU HA 2.500 . 3.300 2.300 2.139 2.786 . 0 0 "[ . 1 . 2]" 1
43 1 41 SER HA 1 41 SER HB2 2.600 . 3.400 2.961 2.317 3.041 . 0 0 "[ . 1 . 2]" 1
44 1 43 SER HB3 1 58 GLN HA 2.600 . 4.700 4.705 4.454 4.861 0.161 11 0 "[ . 1 . 2]" 1
45 1 10 ILE HG13 1 39 ASP HB2 2.600 . 6.000 5.941 5.139 6.131 0.131 5 0 "[ . 1 . 2]" 1
46 1 67 THR HB 1 80 LYS HE3 2.600 . 6.000 5.216 4.806 6.023 0.023 16 0 "[ . 1 . 2]" 1
47 1 17 ILE HA 1 17 ILE HB 2.600 . 3.400 2.539 2.340 2.941 . 0 0 "[ . 1 . 2]" 1
48 1 17 ILE HB 1 17 ILE MD 3.600 2.800 4.400 2.796 2.165 3.234 0.635 15 4 "[ . -* 1 * + 2]" 1
49 1 82 LEU HA 1 82 LEU HB2 2.600 . 3.400 2.442 2.325 2.494 . 0 0 "[ . 1 . 2]" 1
50 1 127 VAL HA 1 130 ILE MD 4.000 . 6.000 3.629 2.036 5.018 . 0 0 "[ . 1 . 2]" 1
51 1 43 SER HA 1 43 SER HB3 2.600 . 3.400 2.425 2.270 2.683 . 0 0 "[ . 1 . 2]" 1
52 1 68 PRO HA 1 68 PRO HG3 4.000 . 6.000 4.004 3.146 4.066 . 0 0 "[ . 1 . 2]" 1
53 1 127 VAL HA 1 127 VAL MG1 2.600 . 3.500 2.589 2.468 3.159 . 0 0 "[ . 1 . 2]" 1
54 1 85 VAL MG1 1 90 ASN HA 2.600 . 6.000 4.526 4.162 4.865 . 0 0 "[ . 1 . 2]" 1
55 1 48 LYS HA 1 48 LYS HD2 2.600 . 6.000 3.922 3.626 4.503 . 0 0 "[ . 1 . 2]" 1
56 1 89 MET HA 1 89 MET HB3 2.600 . 3.500 2.408 2.335 2.593 . 0 0 "[ . 1 . 2]" 1
57 1 66 VAL HA 1 81 LEU HA 2.600 . 3.500 3.419 2.930 3.595 0.095 7 0 "[ . 1 . 2]" 1
58 1 85 VAL MG1 1 89 MET HA 2.600 . 3.500 3.345 2.909 3.501 0.001 3 0 "[ . 1 . 2]" 1
59 1 99 GLU HA 1 99 GLU HG2 2.600 . 3.500 3.523 2.706 3.638 0.138 11 0 "[ . 1 . 2]" 1
60 1 48 LYS HA 1 48 LYS HG3 2.600 . 6.000 3.857 2.322 4.275 . 0 0 "[ . 1 . 2]" 1
61 1 93 TRP HA 1 93 TRP HB2 2.700 . 3.600 3.002 2.905 3.037 . 0 0 "[ . 1 . 2]" 1
62 1 103 ALA MB 1 127 VAL HA 4.000 . 6.000 3.666 2.954 4.753 . 0 0 "[ . 1 . 2]" 1
63 1 72 ILE HA 1 72 ILE HB 2.700 . 3.600 2.965 2.454 3.049 . 0 0 "[ . 1 . 2]" 1
64 1 48 LYS HA 1 48 LYS HB2 2.700 . 3.600 2.544 2.327 3.034 . 0 0 "[ . 1 . 2]" 1
65 1 64 CYS HA 1 64 CYS HB3 2.700 . 3.600 2.387 2.283 2.558 . 0 0 "[ . 1 . 2]" 1
66 1 48 LYS HD2 1 48 LYS HG3 2.700 . 3.600 2.654 2.283 3.034 . 0 0 "[ . 1 . 2]" 1
67 1 35 CYS HA 1 44 CYS HA 2.700 . 3.600 3.079 2.338 3.518 . 0 0 "[ . 1 . 2]" 1
68 1 118 MET HA 1 118 MET HB2 2.700 . 3.600 2.572 2.281 3.027 . 0 0 "[ . 1 . 2]" 1
69 1 78 ASN HA 1 78 ASN HB2 2.700 . 3.600 2.667 2.470 3.013 . 0 0 "[ . 1 . 2]" 1
70 1 49 GLU HA 1 49 GLU HG2 2.700 . 3.600 2.965 2.315 3.660 0.060 20 0 "[ . 1 . 2]" 1
71 1 99 GLU HA 1 102 TYR HB2 2.700 . 3.600 2.829 2.396 3.404 . 0 0 "[ . 1 . 2]" 1
72 1 13 LEU HA 1 13 LEU HB3 2.700 . 3.600 3.048 3.037 3.056 . 0 0 "[ . 1 . 2]" 1
73 1 21 LYS HA 1 21 LYS HB2 2.700 . 3.600 2.827 2.330 3.023 . 0 0 "[ . 1 . 2]" 1
74 1 127 VAL HA 1 127 VAL MG2 3.700 2.800 4.600 3.136 2.553 3.207 0.247 15 0 "[ . 1 . 2]" 1
75 1 37 PHE HA 1 42 ILE HG13 4.000 . 6.000 4.169 2.268 5.014 . 0 0 "[ . 1 . 2]" 1
76 1 44 CYS HB3 1 55 PRO HB2 2.700 . 3.600 3.502 2.836 3.807 0.207 10 0 "[ . 1 . 2]" 1
77 1 78 ASN HA 1 78 ASN HB3 2.800 . 3.700 2.980 2.600 3.033 . 0 0 "[ . 1 . 2]" 1
78 1 91 GLU HA 1 91 GLU HG2 2.800 . 3.800 3.728 3.624 3.840 0.040 19 0 "[ . 1 . 2]" 1
79 1 45 TYR HA 1 55 PRO HB3 2.800 . 3.800 3.580 2.926 3.848 0.048 8 0 "[ . 1 . 2]" 1
80 1 48 LYS HD3 1 48 LYS HG3 2.800 . 3.300 2.875 2.486 3.037 . 0 0 "[ . 1 . 2]" 1
81 1 91 GLU HA 1 91 GLU HB2 2.800 . 3.800 2.330 2.272 2.375 . 0 0 "[ . 1 . 2]" 1
82 1 72 ILE HA 1 72 ILE HG13 2.800 . 3.800 2.952 2.317 3.797 . 0 0 "[ . 1 . 2]" 1
83 1 120 ASP HA 1 120 ASP HB2 2.800 . 3.800 2.685 2.484 3.010 . 0 0 "[ . 1 . 2]" 1
84 1 66 VAL HA 1 81 LEU MD2 2.800 . 3.800 2.723 2.264 3.313 . 0 0 "[ . 1 . 2]" 1
85 1 17 ILE MD 1 34 TRP HA 2.800 . 6.000 4.476 3.371 5.549 . 0 0 "[ . 1 . 2]" 1
86 1 48 LYS HE3 1 48 LYS HG3 2.800 . 3.800 3.018 2.359 3.703 . 0 0 "[ . 1 . 2]" 1
87 1 48 LYS HD3 1 48 LYS HE3 2.800 . 3.800 2.788 2.421 3.032 . 0 0 "[ . 1 . 2]" 1
88 1 101 GLN HA 1 101 GLN HG3 2.800 . 3.800 2.531 2.247 3.637 . 0 0 "[ . 1 . 2]" 1
89 1 62 ARG HG2 1 113 SER HA 2.800 . 6.000 5.049 2.731 6.021 0.021 1 0 "[ . 1 . 2]" 1
90 1 68 PRO HA 1 79 ILE HA 2.900 . 3.900 3.045 2.316 3.931 0.031 1 0 "[ . 1 . 2]" 1
91 1 124 ASN HA 1 127 VAL MG1 2.900 . 3.900 3.119 2.241 3.613 . 0 0 "[ . 1 . 2]" 1
92 1 83 ILE MD 1 90 ASN HB3 2.900 . 6.000 4.284 4.025 5.703 . 0 0 "[ . 1 . 2]" 1
93 1 131 LEU HA 1 134 LEU QD 4.000 . 6.000 2.366 2.127 2.990 . 0 0 "[ . 1 . 2]" 1
94 1 21 LYS HA 1 21 LYS HB3 2.900 . 3.900 2.438 2.263 2.985 . 0 0 "[ . 1 . 2]" 1
95 1 43 SER HA 1 43 SER HB2 2.900 . 4.000 2.730 2.321 3.034 . 0 0 "[ . 1 . 2]" 1
96 1 81 LEU HA 1 81 LEU HB2 2.900 . 4.000 2.839 2.694 2.957 . 0 0 "[ . 1 . 2]" 1
97 1 15 ASP HB2 1 17 ILE MD 2.900 . 6.000 4.650 3.057 5.617 . 0 0 "[ . 1 . 2]" 1
98 1 127 VAL HA 1 130 ILE HB 4.000 . 6.000 4.320 3.475 5.762 . 0 0 "[ . 1 . 2]" 1
99 1 58 GLN HA 1 58 GLN HG3 2.900 . 4.000 3.205 2.381 4.228 0.228 17 0 "[ . 1 . 2]" 1
100 1 72 ILE HA 1 76 LYS HB2 4.000 . 6.000 5.952 4.745 6.372 0.372 19 0 "[ . 1 . 2]" 1
101 1 6 ASP HB2 1 7 ILE MD 4.000 . 6.000 4.431 3.088 5.333 . 0 0 "[ . 1 . 2]" 1
102 1 9 SER HA 1 10 ILE HB 3.000 . 6.000 5.136 4.585 5.645 . 0 0 "[ . 1 . 2]" 1
103 1 116 LYS HD2 1 118 MET HA 3.000 . 6.000 5.739 4.847 6.078 0.078 5 0 "[ . 1 . 2]" 1
104 1 41 SER HB3 1 59 MET HB3 4.000 . 6.000 5.817 5.263 6.029 0.029 2 0 "[ . 1 . 2]" 1
105 1 14 ALA HA 1 15 ASP HA 3.000 . 6.000 4.559 4.436 4.595 . 0 0 "[ . 1 . 2]" 1
106 1 13 LEU MD1 1 111 LEU HG 6.000 4.000 8.000 6.430 5.348 7.058 . 0 0 "[ . 1 . 2]" 1
107 1 35 CYS HB2 1 44 CYS HA 3.100 . 4.300 3.911 2.825 4.405 0.105 13 0 "[ . 1 . 2]" 1
108 1 94 LEU HA 1 94 LEU HG 3.100 . 4.300 3.403 3.213 3.649 . 0 0 "[ . 1 . 2]" 1
109 1 124 ASN HB2 1 125 LEU HB2 3.100 . 4.300 4.224 3.950 4.420 0.120 1 0 "[ . 1 . 2]" 1
110 1 13 LEU HB2 1 111 LEU HG 6.000 4.000 8.000 7.022 5.597 7.810 . 0 0 "[ . 1 . 2]" 1
111 1 91 GLU HA 1 92 ILE HG13 3.200 . 6.000 4.606 3.718 5.610 . 0 0 "[ . 1 . 2]" 1
112 1 44 CYS HA 1 55 PRO HB3 3.200 . 4.400 4.395 4.079 4.514 0.114 1 0 "[ . 1 . 2]" 1
113 1 13 LEU HA 1 14 ALA MB 3.200 . 4.500 4.046 4.002 4.079 . 0 0 "[ . 1 . 2]" 1
114 1 13 LEU HB3 1 111 LEU HG 6.000 4.000 8.000 7.497 5.647 8.079 0.079 7 0 "[ . 1 . 2]" 1
115 1 95 ARG HA 1 95 ARG HD2 3.200 . 4.500 4.433 3.666 4.649 0.149 15 0 "[ . 1 . 2]" 1
116 1 37 PHE HB3 1 42 ILE MD 3.200 . 4.500 3.879 2.966 4.284 . 0 0 "[ . 1 . 2]" 1
117 1 42 ILE MG 1 58 GLN HA 3.200 . 6.000 4.157 3.345 4.843 . 0 0 "[ . 1 . 2]" 1
118 1 13 LEU HB3 1 108 ALA MB 5.000 3.000 7.000 3.866 3.530 4.306 . 0 0 "[ . 1 . 2]" 1
119 1 21 LYS HB2 1 21 LYS HE2 3.300 . 4.600 3.992 2.298 4.814 0.214 10 0 "[ . 1 . 2]" 1
120 1 134 LEU HA 1 134 LEU QD 3.300 . 4.600 2.790 1.984 3.444 0.016 20 0 "[ . 1 . 2]" 1
121 1 72 ILE HA 1 72 ILE HG12 3.300 . 4.700 3.659 3.321 4.236 . 0 0 "[ . 1 . 2]" 1
122 1 93 TRP HA 1 94 LEU HG 3.300 . 4.700 3.595 3.052 3.840 . 0 0 "[ . 1 . 2]" 1
123 1 84 PRO HA 1 85 VAL MG1 3.300 . 4.700 3.566 3.340 3.846 . 0 0 "[ . 1 . 2]" 1
124 1 11 PRO HB3 1 11 PRO HD3 3.400 . 4.800 3.403 2.833 3.635 . 0 0 "[ . 1 . 2]" 1
125 1 19 VAL HA 1 95 ARG HB2 3.400 . 4.900 3.948 3.138 4.956 0.056 1 0 "[ . 1 . 2]" 1
126 1 38 LYS HB2 1 39 ASP HB2 3.500 . 5.000 4.396 3.566 5.183 0.183 10 0 "[ . 1 . 2]" 1
127 1 70 VAL HB 1 77 PHE HA 3.500 . 6.000 2.304 2.151 2.603 . 0 0 "[ . 1 . 2]" 1
128 1 10 ILE HB 1 11 PRO HD3 3.500 . 5.000 2.480 2.115 4.598 . 0 0 "[ . 1 . 2]" 1
129 1 14 ALA HA 1 15 ASP HB3 3.500 . 5.100 4.503 4.076 5.441 0.341 20 0 "[ . 1 . 2]" 1
130 1 70 VAL QG 1 71 ASN HA 3.500 . 5.100 3.545 3.482 3.648 . 0 0 "[ . 1 . 2]" 1
131 1 67 THR HB 1 80 LYS HD3 3.600 . 5.200 3.782 2.592 5.205 0.005 12 0 "[ . 1 . 2]" 1
132 1 98 ASN HA 1 99 GLU HA 3.600 . 5.200 4.381 4.340 4.419 . 0 0 "[ . 1 . 2]" 1
133 1 119 ALA HA 1 120 ASP HB2 3.600 . 5.200 4.853 4.211 5.406 0.206 20 0 "[ . 1 . 2]" 1
134 1 41 SER HB3 1 60 ASN HA 3.700 . 5.400 4.095 3.308 4.966 . 0 0 "[ . 1 . 2]" 1
135 1 45 TYR HA 1 55 PRO HA 3.700 . 5.400 3.139 2.535 4.300 . 0 0 "[ . 1 . 2]" 1
136 1 81 LEU HA 1 94 LEU HG 3.700 . 6.000 5.982 5.601 6.073 0.073 1 0 "[ . 1 . 2]" 1
137 1 127 VAL MG2 1 128 GLN HA 3.700 . 5.400 3.029 2.891 3.248 . 0 0 "[ . 1 . 2]" 1
138 1 130 ILE HA 1 131 LEU HB2 4.000 2.300 5.700 5.620 5.517 5.785 0.085 5 0 "[ . 1 . 2]" 1
139 1 48 LYS HG2 1 49 GLU HA 4.000 . 6.000 4.383 3.149 6.282 0.282 6 0 "[ . 1 . 2]" 1
140 1 95 ARG HD2 1 97 ASP HA 3.800 . 5.600 5.542 5.352 5.667 0.067 16 0 "[ . 1 . 2]" 1
141 1 47 SER HA 1 48 LYS HA 3.800 . 5.600 4.397 4.342 4.535 . 0 0 "[ . 1 . 2]" 1
142 1 43 SER HB2 1 58 GLN HA 3.800 . 5.600 5.179 4.170 5.585 . 0 0 "[ . 1 . 2]" 1
143 1 45 TYR HA 1 46 LYS HG2 3.800 . 5.600 5.129 3.706 5.585 . 0 0 "[ . 1 . 2]" 1
144 1 80 LYS HA 1 80 LYS HG2 3.900 . 5.800 2.808 2.232 4.249 . 0 0 "[ . 1 . 2]" 1
145 1 88 GLY HA3 1 89 MET HG2 3.900 . 5.800 4.432 3.582 5.281 . 0 0 "[ . 1 . 2]" 1
146 1 80 LYS HE3 1 80 LYS HG2 3.900 . 5.800 3.290 2.506 3.855 . 0 0 "[ . 1 . 2]" 1
147 1 72 ILE HB 1 73 SER HB2 4.000 . 6.000 5.332 4.496 6.042 0.042 1 0 "[ . 1 . 2]" 1
148 1 116 LYS HD2 1 118 MET HG3 4.000 . 6.000 5.587 3.590 6.048 0.048 17 0 "[ . 1 . 2]" 1
149 1 67 THR HB 1 80 LYS HE2 4.100 . 6.200 5.500 5.048 6.173 . 0 0 "[ . 1 . 2]" 1
150 1 111 LEU HA 1 114 LYS HA 4.100 . 6.200 5.579 4.804 6.279 0.079 17 0 "[ . 1 . 2]" 1
151 1 99 GLU HA 1 100 LYS HG3 4.100 . 6.200 5.308 5.127 5.795 . 0 0 "[ . 1 . 2]" 1
152 1 124 ASN HA 1 127 VAL MG2 4.100 . 6.200 2.926 2.374 4.779 . 0 0 "[ . 1 . 2]" 1
153 1 79 ILE HA 1 94 LEU HG 4.100 . 6.200 5.850 4.786 6.305 0.105 13 0 "[ . 1 . 2]" 1
154 1 7 ILE HA 1 7 ILE HG12 4.200 . 6.400 3.660 2.624 4.255 . 0 0 "[ . 1 . 2]" 1
155 1 85 VAL MG1 1 89 MET HG2 4.300 . 6.600 5.332 5.065 6.061 . 0 0 "[ . 1 . 2]" 1
156 1 50 GLU HB3 1 52 SER HA 4.300 . 6.600 6.415 5.869 6.741 0.141 5 0 "[ . 1 . 2]" 1
157 1 11 PRO HD3 1 39 ASP HA 4.000 . 6.000 3.340 2.325 5.673 . 0 0 "[ . 1 . 2]" 1
158 1 11 PRO HD2 1 39 ASP HA 4.000 . 6.000 3.632 2.813 4.751 . 0 0 "[ . 1 . 2]" 1
159 1 7 ILE HB 1 8 THR HB 4.000 . 6.000 5.387 3.991 6.128 0.128 6 0 "[ . 1 . 2]" 1
160 1 19 VAL MG1 1 29 GLY HA2 4.000 . 6.000 5.013 4.354 5.637 . 0 0 "[ . 1 . 2]" 1
161 1 128 GLN HB2 1 129 ASN HB3 4.000 . 6.000 5.912 4.756 6.084 0.084 8 0 "[ . 1 . 2]" 1
162 1 80 LYS HE2 1 91 GLU HB2 4.000 . 6.000 5.076 4.138 6.175 0.175 19 0 "[ . 1 . 2]" 1
163 1 7 ILE HA 1 7 ILE HG13 4.000 . 6.000 3.364 2.384 4.270 . 0 0 "[ . 1 . 2]" 1
164 1 45 TYR HA 1 46 LYS HD2 4.000 . 6.000 5.953 4.391 6.255 0.255 16 0 "[ . 1 . 2]" 1
165 1 21 LYS HA 1 29 GLY HA2 4.000 . 6.000 5.812 4.479 6.349 0.349 12 0 "[ . 1 . 2]" 1
166 1 47 SER HB2 1 48 LYS HE3 4.000 . 6.000 5.169 3.272 6.040 0.040 3 0 "[ . 1 . 2]" 1
167 1 94 LEU HB3 1 94 LEU MD1 4.000 . 6.000 2.544 2.341 3.200 . 0 0 "[ . 1 . 2]" 1
168 1 127 VAL HA 1 130 ILE HG12 4.000 . 6.000 3.181 2.273 5.569 . 0 0 "[ . 1 . 2]" 1
169 1 10 ILE HG13 1 11 PRO HD3 4.000 . 6.000 2.985 2.244 5.695 . 0 0 "[ . 1 . 2]" 1
170 1 11 PRO HG2 1 37 PHE HB3 4.000 . 6.000 3.963 2.334 5.271 . 0 0 "[ . 1 . 2]" 1
171 1 99 GLU HA 1 102 TYR HA 4.000 . 6.000 5.508 5.112 6.059 0.059 9 0 "[ . 1 . 2]" 1
172 1 64 CYS HB3 1 83 ILE MD 4.000 . 6.000 2.468 2.041 3.077 . 0 0 "[ . 1 . 2]" 1
173 1 9 SER HB2 1 37 PHE HB3 4.000 . 6.000 5.902 5.434 6.188 0.188 12 0 "[ . 1 . 2]" 1
174 1 11 PRO HB2 1 11 PRO HD3 4.000 . 6.000 4.105 3.880 4.154 . 0 0 "[ . 1 . 2]" 1
175 1 72 ILE HA 1 76 LYS HE3 4.000 . 6.000 5.963 4.960 6.163 0.163 9 0 "[ . 1 . 2]" 1
176 1 74 GLY HA3 1 75 GLN HG2 4.000 . 6.000 5.058 3.543 6.183 0.183 13 0 "[ . 1 . 2]" 1
177 1 70 VAL HB 1 78 ASN HA 4.000 . 6.000 5.707 4.872 6.050 0.050 18 0 "[ . 1 . 2]" 1
178 1 92 ILE MG 1 93 TRP HA 3.300 . 4.700 3.483 3.209 3.816 . 0 0 "[ . 1 . 2]" 1
179 1 81 LEU HA 1 92 ILE MG 3.100 . 6.000 5.078 4.696 5.439 . 0 0 "[ . 1 . 2]" 1
180 1 91 GLU HA 1 91 GLU HG3 3.000 . 4.100 3.548 2.947 3.789 . 0 0 "[ . 1 . 2]" 1
181 1 70 VAL QG 1 72 ILE HA 2.300 . 6.000 3.419 3.072 3.715 . 0 0 "[ . 1 . 2]" 1
182 1 94 LEU MD2 1 95 ARG H 4.000 . 6.000 4.153 3.672 5.215 . 0 0 "[ . 1 . 2]" 1
183 1 100 LYS H 1 103 ALA H 4.200 . 6.400 5.117 4.854 5.361 . 0 0 "[ . 1 . 2]" 1
184 1 29 GLY H 1 30 TYR QD 4.400 . 6.800 6.163 5.201 6.606 . 0 0 "[ . 1 . 2]" 1
185 1 49 GLU HB3 1 51 SER H 3.700 . 5.400 4.485 2.488 5.442 0.042 11 0 "[ . 1 . 2]" 1
186 1 130 ILE H 1 131 LEU HB2 4.700 . 7.400 4.613 4.241 5.012 . 0 0 "[ . 1 . 2]" 1
187 1 47 SER H 1 50 GLU HG3 3.600 . 5.200 3.823 2.171 4.991 . 0 0 "[ . 1 . 2]" 1
188 1 44 CYS HB3 1 45 TYR H 3.800 . 5.600 4.372 3.955 4.557 . 0 0 "[ . 1 . 2]" 1
189 1 44 CYS HB2 1 45 TYR H 4.900 . 7.900 4.350 3.847 4.592 . 0 0 "[ . 1 . 2]" 1
190 1 35 CYS HB2 1 45 TYR H 4.000 . 6.000 5.051 3.989 5.851 . 0 0 "[ . 1 . 2]" 1
191 1 129 ASN HA 1 130 ILE H 3.300 . 4.700 3.585 3.491 3.657 . 0 0 "[ . 1 . 2]" 1
192 1 43 SER H 1 44 CYS H 4.500 . 7.000 4.368 3.922 4.614 . 0 0 "[ . 1 . 2]" 1
193 1 38 LYS H 1 43 SER H 3.700 . 5.400 4.589 3.832 5.102 . 0 0 "[ . 1 . 2]" 1
194 1 38 LYS QZ 1 41 SER H 3.700 . 5.400 4.146 3.132 4.922 . 0 0 "[ . 1 . 2]" 1
195 1 38 LYS H 1 42 ILE HG13 4.000 . 6.000 5.420 3.555 6.111 0.111 18 0 "[ . 1 . 2]" 1
196 1 38 LYS H 1 42 ILE MG 4.000 . 6.000 4.554 4.095 5.479 . 0 0 "[ . 1 . 2]" 1
197 1 37 PHE H 1 38 LYS H 3.700 . 5.400 4.438 4.233 4.622 . 0 0 "[ . 1 . 2]" 1
198 1 31 LYS HD2 1 33 TYR H 3.500 . 5.100 4.884 3.945 5.268 0.168 15 0 "[ . 1 . 2]" 1
199 1 20 PHE HB2 1 31 LYS H 3.800 . 5.700 5.214 4.342 5.835 0.135 14 0 "[ . 1 . 2]" 1
200 1 20 PHE HA 1 31 LYS H 3.600 . 5.200 4.442 3.430 5.136 . 0 0 "[ . 1 . 2]" 1
201 1 23 LYS H 1 91 GLU HG2 3.500 . 5.000 5.166 4.899 5.396 0.396 14 0 "[ . 1 . 2]" 1
202 1 20 PHE H 1 95 ARG QH1 4.600 . 7.300 5.375 3.251 6.532 . 0 0 "[ . 1 . 2]" 1
203 1 82 LEU H 1 82 LEU HB2 2.900 . 3.500 3.267 3.037 3.590 0.090 14 0 "[ . 1 . 2]" 1
204 1 19 VAL H 1 95 ARG QH1 3.700 . 5.400 6.251 5.201 6.635 1.235 5 18 "[****+** ******* **-*]" 1
205 1 48 LYS H 1 48 LYS HD3 5.400 . 9.100 2.864 1.675 3.868 0.025 10 0 "[ . 1 . 2]" 1
206 1 48 LYS H 1 48 LYS HA 2.900 . 4.000 2.905 2.780 2.944 . 0 0 "[ . 1 . 2]" 1
207 1 36 THR H 1 42 ILE MG 3.100 . 4.300 3.018 2.501 3.687 . 0 0 "[ . 1 . 2]" 1
208 1 104 HIS H 1 105 TRP H 2.500 . 3.300 2.938 2.807 3.230 . 0 0 "[ . 1 . 2]" 1
209 1 42 ILE MG 1 44 CYS H 3.700 . 5.400 4.260 3.384 4.795 . 0 0 "[ . 1 . 2]" 1
210 1 129 ASN HA 1 129 ASN HD22 4.200 . 6.400 4.264 3.377 4.630 . 0 0 "[ . 1 . 2]" 1
211 1 129 ASN H 1 130 ILE MD 3.900 . 5.800 4.206 3.213 4.764 . 0 0 "[ . 1 . 2]" 1
212 1 127 VAL MG1 1 129 ASN H 3.600 . 5.200 4.719 3.916 4.845 . 0 0 "[ . 1 . 2]" 1
213 1 127 VAL H 1 128 GLN HG2 4.200 . 6.400 4.474 4.050 5.120 . 0 0 "[ . 1 . 2]" 1
214 1 126 GLU H 1 127 VAL MG2 4.300 . 6.600 4.356 3.899 5.773 . 0 0 "[ . 1 . 2]" 1
215 1 42 ILE MG 1 59 MET H 3.300 . 4.700 3.917 3.045 4.439 . 0 0 "[ . 1 . 2]" 1
216 1 114 LYS HD2 1 120 ASP H 4.000 . 6.000 5.833 4.896 6.219 0.219 5 0 "[ . 1 . 2]" 1
217 1 114 LYS HD2 1 119 ALA H 4.000 . 6.500 5.645 4.355 6.598 0.098 15 0 "[ . 1 . 2]" 1
218 1 118 MET H 1 119 ALA H 4.200 . 6.000 3.010 2.661 3.616 . 0 0 "[ . 1 . 2]" 1
219 1 112 ALA MB 1 113 SER H . . 3.400 2.857 2.591 3.028 . 0 0 "[ . 1 . 2]" 1
220 1 63 GLY H 1 113 SER H 3.800 . 5.600 5.372 4.806 5.771 0.171 17 0 "[ . 1 . 2]" 1
221 1 112 ALA H 1 112 ALA MB . . 2.800 2.215 2.015 2.302 . 0 0 "[ . 1 . 2]" 1
222 1 108 ALA H 1 111 LEU H 4.200 . 6.400 4.846 4.360 5.594 . 0 0 "[ . 1 . 2]" 1
223 1 109 CYS H 1 111 LEU H 4.400 . 6.800 4.435 3.442 5.180 . 0 0 "[ . 1 . 2]" 1
224 1 110 ARG H 1 113 SER H 3.900 . 5.800 4.998 4.734 5.174 . 0 0 "[ . 1 . 2]" 1
225 1 107 ALA H 1 110 ARG HB2 3.900 . 5.800 5.465 4.771 5.849 0.049 16 0 "[ . 1 . 2]" 1
226 1 104 HIS H 1 107 ALA MB 4.900 . 7.900 4.945 4.586 5.513 . 0 0 "[ . 1 . 2]" 1
227 1 101 GLN H 1 103 ALA H 3.800 . 5.600 4.436 3.751 4.772 . 0 0 "[ . 1 . 2]" 1
228 1 99 GLU H 1 134 LEU QD 4.000 . 6.000 4.606 4.037 5.311 . 0 0 "[ . 1 . 2]" 1
229 1 99 GLU H 1 100 LYS HG3 4.400 . 6.800 4.213 3.849 5.381 . 0 0 "[ . 1 . 2]" 1
230 1 97 ASP H 1 101 GLN HG2 3.600 . 5.200 4.583 3.230 5.224 0.024 5 0 "[ . 1 . 2]" 1
231 1 97 ASP H 1 98 ASN HA 4.000 . 6.000 4.379 4.063 4.737 . 0 0 "[ . 1 . 2]" 1
232 1 64 CYS HB2 1 82 LEU H 3.600 . 5.200 4.467 3.991 5.190 . 0 0 "[ . 1 . 2]" 1
233 1 68 PRO HA 1 80 LYS H 4.100 . 6.200 3.659 2.792 5.322 . 0 0 "[ . 1 . 2]" 1
234 1 79 ILE H 1 94 LEU HG 3.900 . 5.800 4.530 3.377 5.067 . 0 0 "[ . 1 . 2]" 1
235 1 79 ILE H 1 94 LEU MD1 3.400 . 4.900 4.312 1.816 4.752 0.084 8 0 "[ . 1 . 2]" 1
236 1 74 GLY H 1 75 GLN HG2 3.700 . 5.400 5.001 4.241 5.807 0.407 15 0 "[ . 1 . 2]" 1
237 1 71 ASN H 1 77 PHE QD 4.200 . 6.400 5.817 4.679 6.203 . 0 0 "[ . 1 . 2]" 1
238 1 70 VAL H 1 77 PHE HA 4.200 . 6.400 5.218 4.791 5.674 . 0 0 "[ . 1 . 2]" 1
239 1 38 LYS HD2 1 41 SER H 3.400 . 4.900 3.548 2.539 4.993 0.093 10 0 "[ . 1 . 2]" 1
240 1 38 LYS HB2 1 41 SER H 4.200 . 6.400 4.648 2.597 6.363 . 0 0 "[ . 1 . 2]" 1
241 1 38 LYS HD2 1 42 ILE H 4.000 . 6.000 5.520 4.444 6.039 0.039 18 0 "[ . 1 . 2]" 1
242 1 94 LEU HB2 1 95 ARG H 3.100 . 4.300 3.521 2.384 3.912 . 0 0 "[ . 1 . 2]" 1
243 1 107 ALA MB 1 128 GLN H 4.300 . 6.000 5.480 5.254 5.717 . 0 0 "[ . 1 . 2]" 1
244 1 75 GLN HE22 1 75 GLN HG2 3.600 . 5.200 3.877 3.507 4.120 . 0 0 "[ . 1 . 2]" 1
245 1 97 ASP H 1 101 GLN HB3 3.400 . 4.800 3.800 3.129 4.452 . 0 0 "[ . 1 . 2]" 1
246 1 97 ASP H 1 101 GLN HB2 3.600 . 5.300 4.109 3.030 5.196 . 0 0 "[ . 1 . 2]" 1
247 1 69 ASP HB3 1 78 ASN H 4.500 . 7.000 5.168 3.886 6.228 . 0 0 "[ . 1 . 2]" 1
248 1 77 PHE H 1 78 ASN H 4.000 . 5.600 4.330 4.144 4.516 . 0 0 "[ . 1 . 2]" 1
249 1 116 LYS HE2 1 117 THR H 3.000 . 4.200 4.065 3.356 4.370 0.170 14 0 "[ . 1 . 2]" 1
250 1 132 SER HB2 1 133 PHE H 3.000 . 4.100 3.373 2.479 4.080 . 0 0 "[ . 1 . 2]" 1
251 1 101 GLN HB2 1 102 TYR H 3.200 . 4.500 3.383 2.469 3.853 . 0 0 "[ . 1 . 2]" 1
252 1 101 GLN HB3 1 102 TYR H 2.800 . 3.800 2.348 1.961 2.779 . 0 0 "[ . 1 . 2]" 1
253 1 27 LEU HG 1 28 LYS H 2.600 . 3.500 3.030 1.653 3.768 0.268 13 0 "[ . 1 . 2]" 1
254 1 109 CYS H 1 112 ALA MB 4.000 . 4.800 4.334 3.835 4.802 0.002 3 0 "[ . 1 . 2]" 1
255 1 64 CYS H 1 112 ALA MB 2.700 . 4.900 3.437 1.609 4.367 0.291 3 0 "[ . 1 . 2]" 1
256 1 101 GLN HG3 1 105 TRP HE1 4.000 . 6.000 5.891 5.354 6.090 0.090 10 0 "[ . 1 . 2]" 1
257 1 59 MET HG3 1 60 ASN H 4.000 . 6.000 4.233 2.317 5.095 . 0 0 "[ . 1 . 2]" 1
258 1 124 ASN HB3 1 124 ASN HD22 4.000 . 6.500 3.769 3.526 4.090 . 0 0 "[ . 1 . 2]" 1
259 1 83 ILE MD 1 90 ASN HD21 4.000 . 6.000 4.233 3.531 5.382 . 0 0 "[ . 1 . 2]" 1
260 1 83 ILE HB 1 90 ASN HD21 3.600 . 5.200 3.586 3.140 3.987 . 0 0 "[ . 1 . 2]" 1
261 1 98 ASN H 1 101 GLN HB3 2.800 . 3.800 3.110 2.646 3.800 . 0 0 "[ . 1 . 2]" 1
262 1 81 LEU H 1 94 LEU H 3.600 . 5.200 4.054 3.532 4.482 . 0 0 "[ . 1 . 2]" 1
263 1 49 GLU HB3 1 50 GLU H 2.800 . 3.800 2.934 2.078 3.987 0.187 20 0 "[ . 1 . 2]" 1
264 1 8 THR H 1 9 SER HA 4.000 . 6.000 5.195 3.906 6.180 0.180 15 0 "[ . 1 . 2]" 1
265 1 131 LEU MD2 1 134 LEU H 4.000 . 6.000 5.139 4.189 5.612 . 0 0 "[ . 1 . 2]" 1
266 1 29 GLY HA2 1 30 TYR H 3.300 2.600 4.000 3.216 2.413 3.611 0.187 11 0 "[ . 1 . 2]" 1
267 1 130 ILE HA 1 134 LEU H 3.600 . 5.200 4.503 3.544 5.329 0.129 10 0 "[ . 1 . 2]" 1
268 1 133 PHE H 1 134 LEU HB2 4.100 . 6.200 5.504 4.537 6.270 0.070 9 0 "[ . 1 . 2]" 1
269 1 130 ILE HG12 1 132 SER H 3.400 . 6.000 5.703 4.951 6.202 0.202 19 0 "[ . 1 . 2]" 1
270 1 127 VAL HB 1 129 ASN H 3.600 . 5.200 5.205 4.897 5.342 0.142 9 0 "[ . 1 . 2]" 1
271 1 129 ASN H 1 130 ILE HB 3.000 . 6.000 5.411 4.809 6.192 0.192 18 0 "[ . 1 . 2]" 1
272 1 127 VAL HA 1 129 ASN H 3.900 . 5.800 3.629 3.422 3.775 . 0 0 "[ . 1 . 2]" 1
273 1 24 LYS H 1 25 LEU H 2.900 . 4.000 2.638 2.115 3.104 . 0 0 "[ . 1 . 2]" 1
274 1 25 LEU H 1 26 THR H 2.900 . 3.900 2.775 2.194 3.298 . 0 0 "[ . 1 . 2]" 1
275 1 23 LYS HD2 1 26 THR H 2.700 . 6.000 5.788 4.710 6.174 0.174 16 0 "[ . 1 . 2]" 1
276 1 26 THR H 1 27 LEU H 3.600 . 5.200 3.170 1.787 4.639 0.213 20 0 "[ . 1 . 2]" 1
277 1 27 LEU H 1 28 LYS H 3.300 . 4.700 3.277 1.781 4.690 0.119 16 0 "[ . 1 . 2]" 1
278 1 32 GLN HE22 1 32 GLN HG2 2.900 . 4.000 3.884 3.569 4.093 0.093 19 0 "[ . 1 . 2]" 1
279 1 32 GLN HB3 1 32 GLN HE22 3.100 . 4.300 3.574 3.296 4.226 . 0 0 "[ . 1 . 2]" 1
280 1 19 VAL MG1 1 33 TYR H 3.600 . 5.300 3.648 2.782 4.297 . 0 0 "[ . 1 . 2]" 1
281 1 101 GLN HG3 1 102 TYR H 4.000 . 6.000 4.436 3.825 4.797 . 0 0 "[ . 1 . 2]" 1
282 1 37 PHE HB2 1 38 LYS H 3.800 . 5.600 4.472 4.098 4.659 . 0 0 "[ . 1 . 2]" 1
283 1 7 ILE HG12 1 8 THR H 4.000 . 6.000 4.225 2.005 5.466 . 0 0 "[ . 1 . 2]" 1
284 1 10 ILE HG13 1 39 ASP H 3.100 . 6.000 4.600 3.140 6.052 0.052 16 0 "[ . 1 . 2]" 1
285 1 42 ILE H 1 43 SER H 3.900 . 5.800 4.542 4.469 4.583 . 0 0 "[ . 1 . 2]" 1
286 1 44 CYS H 1 58 GLN HB3 3.900 . 5.800 4.410 3.245 5.712 . 0 0 "[ . 1 . 2]" 1
287 1 44 CYS H 1 55 PRO HB2 3.200 . 4.500 2.601 1.999 4.557 0.057 14 0 "[ . 1 . 2]" 1
288 1 47 SER H 1 50 GLU HB2 3.000 . 6.000 4.698 3.346 6.106 0.106 7 0 "[ . 1 . 2]" 1
289 1 47 SER H 1 50 GLU HG2 3.600 . 5.200 4.379 3.116 5.339 0.139 18 0 "[ . 1 . 2]" 1
290 1 128 GLN HB2 1 130 ILE H 4.100 . 6.200 5.569 5.220 5.832 . 0 0 "[ . 1 . 2]" 1
291 1 50 GLU HG3 1 51 SER H 3.500 . 5.100 4.844 3.594 5.201 0.101 5 0 "[ . 1 . 2]" 1
292 1 50 GLU HG2 1 51 SER H 3.600 . 5.200 4.666 3.707 5.225 0.025 6 0 "[ . 1 . 2]" 1
293 1 125 LEU HG 1 128 GLN H 3.300 . 6.000 5.635 4.605 6.035 0.035 1 0 "[ . 1 . 2]" 1
294 1 124 ASN HB3 1 128 GLN H 3.900 . 5.800 5.200 4.606 5.678 . 0 0 "[ . 1 . 2]" 1
295 1 126 GLU H 1 128 GLN H 3.700 . 5.100 4.033 3.768 4.554 . 0 0 "[ . 1 . 2]" 1
296 1 61 LEU HB3 1 62 ARG H 4.000 . 6.000 3.542 2.970 4.629 . 0 0 "[ . 1 . 2]" 1
297 1 69 ASP H 1 79 ILE MD 3.500 . 5.000 3.839 2.709 4.720 . 0 0 "[ . 1 . 2]" 1
298 1 71 ASN HB2 1 71 ASN HD21 3.100 . 4.300 2.809 2.246 3.617 . 0 0 "[ . 1 . 2]" 1
299 1 75 GLN HE22 1 76 LYS H 3.800 . 5.600 5.512 5.166 5.649 0.049 10 0 "[ . 1 . 2]" 1
300 1 72 ILE HA 1 76 LYS H 4.000 . 6.000 3.664 2.291 4.476 . 0 0 "[ . 1 . 2]" 1
301 1 77 PHE HB2 1 78 ASN H 3.600 . 5.300 4.234 3.908 4.588 . 0 0 "[ . 1 . 2]" 1
302 1 83 ILE H 1 84 PRO HA 3.200 . 6.000 4.754 4.678 4.858 . 0 0 "[ . 1 . 2]" 1
303 1 81 LEU HB2 1 92 ILE H 3.600 . 5.200 4.990 4.399 5.376 0.176 10 0 "[ . 1 . 2]" 1
304 1 19 VAL MG1 1 95 ARG H 4.000 . 6.000 4.976 4.296 5.544 . 0 0 "[ . 1 . 2]" 1
305 1 98 ASN H 1 101 GLN HB2 2.900 . 3.900 3.174 2.476 3.976 0.076 12 0 "[ . 1 . 2]" 1
306 1 98 ASN H 1 101 GLN HG2 3.700 . 5.500 4.612 3.634 5.562 0.062 10 0 "[ . 1 . 2]" 1
307 1 100 LYS H 1 101 GLN HB2 3.600 . 5.200 4.826 4.291 5.301 0.101 8 0 "[ . 1 . 2]" 1
308 1 101 GLN HA 1 104 HIS H 3.700 . 5.400 3.608 3.279 3.976 . 0 0 "[ . 1 . 2]" 1
309 1 114 LYS HD2 1 123 TYR H 4.000 . 6.000 5.852 4.979 6.087 0.087 17 0 "[ . 1 . 2]" 1
310 1 108 ALA H 1 110 ARG H 3.800 . 4.800 4.217 3.741 4.649 . 0 0 "[ . 1 . 2]" 1
311 1 120 ASP H 1 123 TYR H 3.200 . 4.500 3.702 2.475 4.633 0.133 9 0 "[ . 1 . 2]" 1
312 1 118 MET H 1 120 ASP H 3.900 . 5.800 4.746 3.870 5.384 . 0 0 "[ . 1 . 2]" 1
313 1 4 MET H 1 4 MET HB2 3.000 . 4.100 3.095 2.324 3.932 . 0 0 "[ . 1 . 2]" 1
314 1 4 MET H 1 4 MET HB3 3.800 . 5.600 3.386 2.337 4.084 . 0 0 "[ . 1 . 2]" 1
315 1 4 MET HA 1 5 GLY H 3.400 . 4.800 2.945 2.181 3.584 . 0 0 "[ . 1 . 2]" 1
316 1 5 GLY HA2 1 6 ASP H 2.800 . 3.800 2.852 2.179 3.588 . 0 0 "[ . 1 . 2]" 1
317 1 6 ASP H 1 6 ASP HB2 3.700 . 5.400 3.199 2.336 4.033 . 0 0 "[ . 1 . 2]" 1
318 1 6 ASP H 1 6 ASP HB3 3.400 . 4.900 3.559 2.548 4.082 . 0 0 "[ . 1 . 2]" 1
319 1 6 ASP HA 1 7 ILE H 2.400 . 3.100 2.724 2.198 3.362 0.262 6 0 "[ . 1 . 2]" 1
320 1 7 ILE H 1 7 ILE HA 2.800 . 3.700 2.911 2.783 2.982 . 0 0 "[ . 1 . 2]" 1
321 1 7 ILE H 1 7 ILE HB 2.700 . 3.600 3.134 2.419 3.688 0.088 2 0 "[ . 1 . 2]" 1
322 1 7 ILE H 1 7 ILE MD 3.200 . 4.400 2.246 1.605 3.502 0.395 2 0 "[ . 1 . 2]" 1
323 1 7 ILE H 1 7 ILE HG12 2.900 . 3.900 2.989 1.826 3.961 0.074 3 0 "[ . 1 . 2]" 1
324 1 7 ILE H 1 7 ILE HG13 2.800 . 3.800 2.715 1.782 3.683 0.018 10 0 "[ . 1 . 2]" 1
325 1 7 ILE HA 1 8 THR H 2.200 . 6.000 3.439 3.138 3.593 . 0 0 "[ . 1 . 2]" 1
326 1 7 ILE HB 1 8 THR H 3.200 . 4.500 3.166 1.982 4.485 . 0 0 "[ . 1 . 2]" 1
327 1 7 ILE MD 1 8 THR H 3.200 . 4.500 3.144 2.055 4.192 . 0 0 "[ . 1 . 2]" 1
328 1 8 THR H 1 8 THR HA 2.900 . 3.900 2.755 2.322 2.996 . 0 0 "[ . 1 . 2]" 1
329 1 8 THR H 1 8 THR MG 2.700 . 3.600 2.307 1.731 3.461 0.069 4 0 "[ . 1 . 2]" 1
330 1 7 ILE MD 1 9 SER H 4.500 . 7.000 5.357 3.347 6.365 . 0 0 "[ . 1 . 2]" 1
331 1 8 THR HA 1 9 SER H 2.400 . 3.100 2.705 2.173 3.425 0.325 6 0 "[ . 1 . 2]" 1
332 1 8 THR MG 1 9 SER H 3.200 . 4.500 3.551 1.858 4.208 0.042 6 0 "[ . 1 . 2]" 1
333 1 9 SER H 1 9 SER HA 2.600 . 3.400 2.740 2.331 2.999 . 0 0 "[ . 1 . 2]" 1
334 1 9 SER H 1 9 SER HB2 3.500 2.700 4.300 3.701 3.208 4.024 . 0 0 "[ . 1 . 2]" 1
335 1 8 THR HA 1 10 ILE H 3.800 . 5.600 5.387 3.829 5.739 0.139 12 0 "[ . 1 . 2]" 1
336 1 9 SER HA 1 10 ILE H 4.000 . 6.000 2.364 2.206 3.514 . 0 0 "[ . 1 . 2]" 1
337 1 10 ILE H 1 10 ILE HB 3.000 2.400 3.600 3.039 2.388 3.407 0.012 17 0 "[ . 1 . 2]" 1
338 1 10 ILE H 1 10 ILE MD 2.900 . 3.900 3.211 1.880 3.599 0.020 19 0 "[ . 1 . 2]" 1
339 1 10 ILE H 1 10 ILE HG12 2.500 . 6.000 2.322 1.641 4.101 . 0 0 "[ . 1 . 2]" 1
340 1 10 ILE H 1 10 ILE HG13 2.400 . 3.100 2.156 1.683 3.421 0.321 6 0 "[ . 1 . 2]" 1
341 1 10 ILE H 1 10 ILE MG 2.600 . 6.000 3.655 3.409 3.945 . 0 0 "[ . 1 . 2]" 1
342 1 10 ILE H 1 11 PRO HD2 3.500 2.700 4.300 2.825 2.583 4.062 0.117 12 0 "[ . 1 . 2]" 1
343 1 10 ILE H 1 11 PRO HD3 3.600 . 5.200 2.435 2.065 3.795 . 0 0 "[ . 1 . 2]" 1
344 1 10 ILE HB 1 12 GLU H 3.000 . 6.000 5.671 5.118 6.018 0.018 17 0 "[ . 1 . 2]" 1
345 1 10 ILE MG 1 12 GLU H 3.600 . 6.000 5.243 4.282 5.609 . 0 0 "[ . 1 . 2]" 1
346 1 11 PRO HA 1 12 GLU H 2.000 . 6.000 2.483 2.254 2.807 . 0 0 "[ . 1 . 2]" 1
347 1 11 PRO HB3 1 12 GLU H 4.000 . 6.000 4.594 4.327 4.729 . 0 0 "[ . 1 . 2]" 1
348 1 11 PRO HD2 1 12 GLU H 3.700 . 5.400 4.363 3.501 5.394 . 0 0 "[ . 1 . 2]" 1
349 1 11 PRO HD3 1 12 GLU H 4.300 . 6.600 5.137 4.434 5.642 . 0 0 "[ . 1 . 2]" 1
350 1 12 GLU H 1 12 GLU HA 2.700 . 3.600 2.942 2.848 2.992 . 0 0 "[ . 1 . 2]" 1
351 1 12 GLU H 1 12 GLU HG2 2.700 . 3.600 2.579 1.852 3.869 0.269 12 0 "[ . 1 . 2]" 1
352 1 12 GLU HA 1 13 LEU H 2.500 . 3.300 2.148 2.064 2.435 . 0 0 "[ . 1 . 2]" 1
353 1 12 GLU HB2 1 13 LEU H 2.900 . 3.900 3.461 3.024 4.027 0.127 19 0 "[ . 1 . 2]" 1
354 1 12 GLU HG2 1 13 LEU H 2.700 . 6.000 4.776 4.309 5.267 . 0 0 "[ . 1 . 2]" 1
355 1 12 GLU HG3 1 13 LEU H 3.000 . 4.100 4.175 3.793 4.432 0.332 11 0 "[ . 1 . 2]" 1
356 1 13 LEU H 1 13 LEU HA 2.900 . 4.000 2.948 2.935 2.978 . 0 0 "[ . 1 . 2]" 1
357 1 13 LEU H 1 13 LEU HB2 3.000 . 4.100 3.411 3.259 3.506 . 0 0 "[ . 1 . 2]" 1
358 1 13 LEU H 1 13 LEU MD1 4.000 . 6.000 4.036 3.690 4.871 . 0 0 "[ . 1 . 2]" 1
359 1 13 LEU H 1 13 LEU MD2 4.000 . 6.000 4.225 4.109 4.272 . 0 0 "[ . 1 . 2]" 1
360 1 13 LEU H 1 13 LEU HG 2.600 . 6.000 5.124 4.823 5.221 . 0 0 "[ . 1 . 2]" 1
361 1 13 LEU H 1 14 ALA MB 3.600 . 6.000 3.594 3.302 3.976 . 0 0 "[ . 1 . 2]" 1
362 1 13 LEU H 1 36 THR HA 2.100 . 4.200 3.815 2.673 4.169 . 0 0 "[ . 1 . 2]" 1
363 1 13 LEU H 1 37 PHE HB3 2.100 . 5.000 3.687 2.885 5.010 0.010 6 0 "[ . 1 . 2]" 1
364 1 13 LEU H 1 37 PHE H 2.900 . 3.300 2.482 1.922 3.050 . 0 0 "[ . 1 . 2]" 1
365 1 13 LEU HA 1 14 ALA H 2.200 . 2.800 2.235 2.208 2.274 . 0 0 "[ . 1 . 2]" 1
366 1 13 LEU HB2 1 14 ALA H 4.000 . 6.000 4.475 4.359 4.590 . 0 0 "[ . 1 . 2]" 1
367 1 13 LEU MD1 1 14 ALA H 2.800 . 6.000 3.389 3.030 4.759 . 0 0 "[ . 1 . 2]" 1
368 1 13 LEU MD2 1 14 ALA H 2.900 . 4.000 2.228 2.021 2.375 . 0 0 "[ . 1 . 2]" 1
369 1 13 LEU HG 1 14 ALA H 4.000 3.000 6.000 4.861 3.845 5.016 . 0 0 "[ . 1 . 2]" 1
370 1 14 ALA H 1 14 ALA HA 2.900 . 3.900 2.952 2.910 2.986 . 0 0 "[ . 1 . 2]" 1
371 1 14 ALA H 1 14 ALA MB 2.500 . 3.300 2.724 2.610 2.818 . 0 0 "[ . 1 . 2]" 1
372 1 14 ALA H 1 36 THR HA 3.800 . 5.600 4.902 4.520 5.126 . 0 0 "[ . 1 . 2]" 1
373 1 14 ALA HA 1 15 ASP H 2.400 . 3.100 2.320 2.139 2.422 . 0 0 "[ . 1 . 2]" 1
374 1 14 ALA MB 1 15 ASP H 4.000 . 6.000 2.606 2.441 2.865 . 0 0 "[ . 1 . 2]" 1
375 1 14 ALA H 1 15 ASP H 3.100 . 4.300 4.398 4.344 4.428 0.128 13 0 "[ . 1 . 2]" 1
376 1 15 ASP H 1 15 ASP HB2 3.000 . 4.100 3.549 3.211 4.076 . 0 0 "[ . 1 . 2]" 1
377 1 15 ASP H 1 15 ASP HB3 3.000 . 4.100 3.165 2.926 3.974 . 0 0 "[ . 1 . 2]" 1
378 1 15 ASP H 1 35 CYS H 3.000 . 4.500 4.028 3.276 4.359 . 0 0 "[ . 1 . 2]" 1
379 1 15 ASP H 1 36 THR HA 3.300 . 6.000 4.951 4.301 5.754 . 0 0 "[ . 1 . 2]" 1
380 1 15 ASP HA 1 16 TYR H 2.500 . 3.300 2.458 2.304 2.516 . 0 0 "[ . 1 . 2]" 1
381 1 15 ASP HB2 1 16 TYR H 2.800 . 3.800 3.572 2.438 3.903 0.103 1 0 "[ . 1 . 2]" 1
382 1 15 ASP HB3 1 16 TYR H 3.200 . 4.500 3.571 2.767 4.124 . 0 0 "[ . 1 . 2]" 1
383 1 15 ASP H 1 16 TYR H 4.100 . 6.200 4.364 4.256 4.402 . 0 0 "[ . 1 . 2]" 1
384 1 16 TYR H 1 16 TYR HB2 3.000 . 4.100 3.324 2.598 3.747 . 0 0 "[ . 1 . 2]" 1
385 1 16 TYR H 1 16 TYR HB3 2.800 . 3.800 3.379 2.907 3.774 . 0 0 "[ . 1 . 2]" 1
386 1 16 TYR H 1 16 TYR HD1 3.300 . 4.700 2.598 2.040 4.346 . 0 0 "[ . 1 . 2]" 1
387 1 16 TYR H 1 16 TYR HD2 4.000 . 6.000 3.705 2.327 4.668 . 0 0 "[ . 1 . 2]" 1
388 1 16 TYR H 1 16 TYR QE 3.400 . 4.100 3.640 3.388 3.991 . 0 0 "[ . 1 . 2]" 1
389 1 16 TYR H 1 17 ILE MD 4.500 2.500 6.500 4.786 4.018 6.045 . 0 0 "[ . 1 . 2]" 1
390 1 16 TYR H 1 17 ILE H 3.300 . 4.700 4.410 4.117 4.614 . 0 0 "[ . 1 . 2]" 1
391 1 16 TYR HA 1 17 ILE H 2.500 . 3.300 2.226 2.178 2.278 . 0 0 "[ . 1 . 2]" 1
392 1 16 TYR HB2 1 17 ILE H 3.300 . 4.700 3.790 3.219 4.264 . 0 0 "[ . 1 . 2]" 1
393 1 17 ILE H 1 17 ILE HA 2.900 . 4.000 2.965 2.942 2.999 . 0 0 "[ . 1 . 2]" 1
394 1 17 ILE H 1 17 ILE HB 2.900 . 4.000 3.467 2.551 4.026 0.026 2 0 "[ . 1 . 2]" 1
395 1 17 ILE H 1 17 ILE MD 3.800 . 5.600 3.134 1.829 4.811 0.171 9 0 "[ . 1 . 2]" 1
396 1 17 ILE H 1 17 ILE HG12 3.500 2.200 4.800 3.965 3.000 5.015 0.215 15 0 "[ . 1 . 2]" 1
397 1 17 ILE H 1 17 ILE HG13 3.300 . 4.600 4.347 4.009 4.711 0.111 10 0 "[ . 1 . 2]" 1
398 1 17 ILE H 1 17 ILE MG 3.800 . 5.600 2.833 2.272 3.462 . 0 0 "[ . 1 . 2]" 1
399 1 17 ILE H 1 18 LYS H 3.600 . 5.200 4.431 4.303 4.537 . 0 0 "[ . 1 . 2]" 1
400 1 17 ILE HA 1 18 LYS H 2.400 . 3.100 2.402 2.176 2.530 . 0 0 "[ . 1 . 2]" 1
401 1 17 ILE MD 1 18 LYS H 4.000 . 6.000 4.400 3.835 4.753 . 0 0 "[ . 1 . 2]" 1
402 1 17 ILE HG12 1 18 LYS H 2.500 . 3.300 3.183 2.329 3.536 0.236 12 0 "[ . 1 . 2]" 1
403 1 17 ILE MG 1 18 LYS H 3.800 . 5.600 3.446 2.403 4.065 . 0 0 "[ . 1 . 2]" 1
404 1 18 LYS H 1 18 LYS HB2 3.200 . 4.500 3.312 2.794 3.865 . 0 0 "[ . 1 . 2]" 1
405 1 18 LYS H 1 18 LYS HE2 3.600 . 5.200 4.819 3.222 5.416 0.216 15 0 "[ . 1 . 2]" 1
406 1 18 LYS H 1 18 LYS HG2 3.200 . 4.500 2.505 1.739 4.336 0.161 18 0 "[ . 1 . 2]" 1
407 1 18 LYS H 1 19 VAL MG1 4.000 . 6.000 4.993 4.315 5.611 . 0 0 "[ . 1 . 2]" 1
408 1 18 LYS H 1 94 LEU HA 3.700 . 5.400 4.937 4.452 5.407 0.007 16 0 "[ . 1 . 2]" 1
409 1 18 LYS H 1 95 ARG HA 3.900 . 5.800 5.644 4.906 5.878 0.078 7 0 "[ . 1 . 2]" 1
410 1 18 LYS H 1 95 ARG HB2 4.000 . 6.000 4.483 3.580 5.202 . 0 0 "[ . 1 . 2]" 1
411 1 18 LYS H 1 95 ARG HB3 4.000 . 6.000 3.491 2.390 3.918 . 0 0 "[ . 1 . 2]" 1
412 1 18 LYS H 1 95 ARG H 3.300 . 4.500 3.448 2.696 3.963 . 0 0 "[ . 1 . 2]" 1
413 1 17 ILE HG12 1 19 VAL H 4.400 . 6.900 5.503 4.762 6.508 . 0 0 "[ . 1 . 2]" 1
414 1 18 LYS HA 1 19 VAL H 2.700 . 3.600 2.266 2.139 2.450 . 0 0 "[ . 1 . 2]" 1
415 1 18 LYS HG2 1 19 VAL H 4.300 . 6.600 4.614 3.470 5.230 . 0 0 "[ . 1 . 2]" 1
416 1 18 LYS H 1 19 VAL H 3.700 . 5.400 4.488 4.223 4.632 . 0 0 "[ . 1 . 2]" 1
417 1 19 VAL H 1 19 VAL HB 2.900 . 3.900 3.394 3.043 3.867 . 0 0 "[ . 1 . 2]" 1
418 1 19 VAL H 1 19 VAL MG1 2.800 . 3.800 2.045 1.927 2.202 . 0 0 "[ . 1 . 2]" 1
419 1 19 VAL H 1 19 VAL MG2 4.000 2.900 5.100 3.798 3.423 3.928 . 0 0 "[ . 1 . 2]" 1
420 1 19 VAL H 1 20 PHE H 4.800 . 7.700 4.435 4.389 4.492 . 0 0 "[ . 1 . 2]" 1
421 1 19 VAL H 1 31 LYS HB2 4.000 2.300 5.700 5.740 5.183 6.018 0.318 13 0 "[ . 1 . 2]" 1
422 1 19 VAL H 1 31 LYS HD2 3.300 . 6.000 5.167 2.687 6.160 0.160 9 0 "[ . 1 . 2]" 1
423 1 19 VAL H 1 31 LYS H 2.900 . 4.000 3.149 2.626 3.899 . 0 0 "[ . 1 . 2]" 1
424 1 19 VAL H 1 32 GLN HA 3.200 . 4.500 4.047 3.451 4.517 0.017 2 0 "[ . 1 . 2]" 1
425 1 19 VAL HA 1 20 PHE H 2.500 . 3.300 2.296 2.217 2.372 . 0 0 "[ . 1 . 2]" 1
426 1 19 VAL HB 1 20 PHE H 3.700 . 5.400 3.849 3.213 4.259 . 0 0 "[ . 1 . 2]" 1
427 1 19 VAL MG1 1 20 PHE H 3.500 2.300 4.700 3.861 3.548 4.119 . 0 0 "[ . 1 . 2]" 1
428 1 19 VAL MG2 1 20 PHE H 2.600 . 3.400 2.089 1.797 2.526 0.003 7 0 "[ . 1 . 2]" 1
429 1 20 PHE H 1 20 PHE HB2 3.100 . 4.300 3.689 2.855 4.056 . 0 0 "[ . 1 . 2]" 1
430 1 20 PHE H 1 20 PHE HB3 3.100 . 4.300 2.945 2.503 3.513 . 0 0 "[ . 1 . 2]" 1
431 1 20 PHE H 1 21 LYS H 3.500 . 5.000 4.129 3.799 4.584 . 0 0 "[ . 1 . 2]" 1
432 1 20 PHE H 1 21 LYS QZ 3.500 . 5.000 4.065 3.080 4.730 . 0 0 "[ . 1 . 2]" 1
433 1 20 PHE H 1 93 TRP HB2 3.400 . 4.800 3.990 2.900 5.065 0.265 7 0 "[ . 1 . 2]" 1
434 1 20 PHE H 1 93 TRP H 2.900 . 6.000 4.082 3.253 5.606 . 0 0 "[ . 1 . 2]" 1
435 1 20 PHE H 1 94 LEU HA 3.400 . 4.900 4.255 3.465 4.995 0.095 7 0 "[ . 1 . 2]" 1
436 1 19 VAL MG2 1 21 LYS H 3.500 . 5.000 3.745 2.951 4.739 . 0 0 "[ . 1 . 2]" 1
437 1 20 PHE HA 1 21 LYS H 2.400 . 3.100 2.259 2.159 2.467 . 0 0 "[ . 1 . 2]" 1
438 1 20 PHE HB2 1 21 LYS H 3.400 . 4.800 3.868 2.709 4.526 . 0 0 "[ . 1 . 2]" 1
439 1 20 PHE HB3 1 21 LYS H 3.300 . 4.700 4.373 3.585 4.693 . 0 0 "[ . 1 . 2]" 1
440 1 21 LYS H 1 21 LYS HB2 2.900 . 3.900 3.131 2.061 4.044 0.144 19 0 "[ . 1 . 2]" 1
441 1 21 LYS H 1 21 LYS HB3 2.700 . 3.600 3.560 2.887 3.853 0.253 14 0 "[ . 1 . 2]" 1
442 1 21 LYS H 1 21 LYS HD2 4.300 . 6.600 3.973 1.910 5.374 0.090 16 0 "[ . 1 . 2]" 1
443 1 21 LYS H 1 21 LYS HE2 4.200 . 6.400 4.457 3.406 6.024 . 0 0 "[ . 1 . 2]" 1
444 1 21 LYS H 1 21 LYS HG2 3.200 . 4.400 3.208 1.867 4.566 0.166 13 0 "[ . 1 . 2]" 1
445 1 21 LYS H 1 21 LYS HG3 3.100 . 4.300 3.064 1.928 4.394 0.094 19 0 "[ . 1 . 2]" 1
446 1 21 LYS H 1 21 LYS QZ 3.100 . 4.300 3.049 1.353 4.086 0.547 8 1 "[ . + 1 . 2]" 1
447 1 22 PRO HD2 1 23 LYS H 2.500 . 3.300 2.735 1.851 3.347 0.047 20 0 "[ . 1 . 2]" 1
448 1 23 LYS H 1 23 LYS HA 2.600 . 3.400 2.495 2.276 2.934 . 0 0 "[ . 1 . 2]" 1
449 1 23 LYS H 1 23 LYS HB2 2.500 . 3.300 3.236 2.433 3.704 0.404 12 0 "[ . 1 . 2]" 1
450 1 23 LYS H 1 23 LYS HB3 3.000 2.100 3.900 3.847 2.815 4.151 0.251 15 0 "[ . 1 . 2]" 1
451 1 23 LYS H 1 23 LYS HD2 3.000 . 4.600 3.700 2.285 4.801 0.201 20 0 "[ . 1 . 2]" 1
452 1 23 LYS H 1 23 LYS HE2 3.600 . 5.200 4.899 4.013 5.459 0.259 11 0 "[ . 1 . 2]" 1
453 1 23 LYS H 1 23 LYS HG2 2.900 . 4.900 4.185 1.768 5.198 0.298 17 0 "[ . 1 . 2]" 1
454 1 23 LYS H 1 23 LYS HG3 3.500 2.600 4.400 3.705 2.409 4.687 0.287 17 0 "[ . 1 . 2]" 1
455 1 23 LYS H 1 24 LYS HE2 4.000 . 6.000 5.954 5.086 6.273 0.273 10 0 "[ . 1 . 2]" 1
456 1 23 LYS H 1 24 LYS H . . 3.900 3.795 3.354 4.076 0.176 11 0 "[ . 1 . 2]" 1
457 1 22 PRO HD2 1 24 LYS H 4.100 . 6.200 5.846 4.708 6.485 0.285 18 0 "[ . 1 . 2]" 1
458 1 24 LYS H 1 24 LYS HA 2.500 . 3.300 2.935 2.804 2.992 . 0 0 "[ . 1 . 2]" 1
459 1 24 LYS H 1 24 LYS HB2 2.600 . 3.400 3.010 2.309 3.549 0.149 5 0 "[ . 1 . 2]" 1
460 1 24 LYS H 1 24 LYS HB3 3.000 . 4.100 3.168 2.209 3.744 . 0 0 "[ . 1 . 2]" 1
461 1 24 LYS H 1 24 LYS HD2 4.500 . 7.000 4.140 1.895 5.974 0.105 6 0 "[ . 1 . 2]" 1
462 1 24 LYS H 1 24 LYS HE2 3.800 . 5.600 4.048 2.638 5.272 . 0 0 "[ . 1 . 2]" 1
463 1 24 LYS H 1 24 LYS HG2 3.100 . 4.300 3.136 1.813 4.589 0.289 16 0 "[ . 1 . 2]" 1
464 1 24 LYS H 1 24 LYS HG3 3.100 . 4.300 2.735 1.778 4.559 0.259 10 0 "[ . 1 . 2]" 1
465 1 24 LYS HB3 1 25 LEU H 3.100 . 4.300 3.261 1.790 4.415 0.115 8 0 "[ . 1 . 2]" 1
466 1 24 LYS HG2 1 25 LEU H 3.100 . 4.300 3.777 2.272 4.511 0.211 2 0 "[ . 1 . 2]" 1
467 1 24 LYS HG3 1 25 LEU H 2.900 . 3.900 3.393 1.790 4.126 0.226 4 0 "[ . 1 . 2]" 1
468 1 25 LEU H 1 25 LEU HA 2.500 . 3.100 2.925 2.723 2.993 . 0 0 "[ . 1 . 2]" 1
469 1 25 LEU H 1 25 LEU HB2 2.300 . 3.000 2.362 2.083 2.884 . 0 0 "[ . 1 . 2]" 1
470 1 25 LEU H 1 25 LEU HB3 2.500 . 3.300 3.031 2.363 3.520 0.220 9 0 "[ . 1 . 2]" 1
471 1 25 LEU H 1 25 LEU MD1 3.800 2.800 4.800 3.910 2.980 4.345 . 0 0 "[ . 1 . 2]" 1
472 1 25 LEU HB2 1 26 THR H 2.900 . 4.000 3.262 2.239 4.026 0.026 4 0 "[ . 1 . 2]" 1
473 1 25 LEU MD1 1 26 THR H 4.000 . 6.000 4.231 2.803 5.346 . 0 0 "[ . 1 . 2]" 1
474 1 26 THR H 1 26 THR HA 2.700 . 3.600 2.694 2.339 3.000 . 0 0 "[ . 1 . 2]" 1
475 1 26 THR H 1 26 THR HB 3.300 2.600 4.000 3.561 2.719 4.079 0.079 15 0 "[ . 1 . 2]" 1
476 1 26 THR H 1 27 LEU HG 2.600 . 6.000 5.013 2.968 6.320 0.320 10 0 "[ . 1 . 2]" 1
477 1 26 THR HA 1 27 LEU H 2.300 . 4.000 2.809 2.042 3.635 . 0 0 "[ . 1 . 2]" 1
478 1 26 THR HB 1 27 LEU H 3.700 2.800 4.600 3.881 2.698 4.588 0.102 7 0 "[ . 1 . 2]" 1
479 1 27 LEU H 1 27 LEU HB2 3.300 2.700 3.900 3.436 2.428 4.028 0.272 13 0 "[ . 1 . 2]" 1
480 1 27 LEU H 1 27 LEU MD1 3.100 . 4.300 3.336 1.746 4.308 0.154 15 0 "[ . 1 . 2]" 1
481 1 27 LEU H 1 27 LEU MD2 3.600 . 5.200 3.399 1.669 4.844 0.331 3 0 "[ . 1 . 2]" 1
482 1 27 LEU H 1 27 LEU HG 3.500 2.400 4.600 3.020 2.142 4.818 0.258 2 0 "[ . 1 . 2]" 1
483 1 27 LEU HA 1 28 LYS H 3.200 2.600 3.800 3.254 2.534 3.560 0.066 5 0 "[ . 1 . 2]" 1
484 1 27 LEU HB2 1 28 LYS H 2.700 . 3.600 2.685 1.747 3.849 0.249 17 0 "[ . 1 . 2]" 1
485 1 27 LEU MD1 1 28 LYS H 3.400 . 4.800 2.888 1.634 4.227 0.366 2 0 "[ . 1 . 2]" 1
486 1 27 LEU MD2 1 28 LYS H 4.000 . 6.000 3.594 1.761 4.467 0.239 3 0 "[ . 1 . 2]" 1
487 1 28 LYS H 1 28 LYS HB3 3.000 . 4.100 3.613 2.425 4.204 0.104 2 0 "[ . 1 . 2]" 1
488 1 28 LYS H 1 28 LYS HG3 3.000 . 4.100 3.248 1.847 4.328 0.228 8 0 "[ . 1 . 2]" 1
489 1 28 LYS H 1 29 GLY H 3.200 . 3.800 3.115 1.873 4.181 0.381 12 0 "[ . 1 . 2]" 1
490 1 27 LEU MD1 1 29 GLY H 4.000 . 6.000 4.885 3.684 5.687 . 0 0 "[ . 1 . 2]" 1
491 1 27 LEU HG 1 29 GLY H 4.800 3.000 6.600 5.608 3.825 6.746 0.146 2 0 "[ . 1 . 2]" 1
492 1 28 LYS HA 1 29 GLY H 2.400 . 6.000 3.312 1.988 3.600 . 0 0 "[ . 1 . 2]" 1
493 1 28 LYS HB2 1 29 GLY H 3.000 . 4.100 2.764 1.789 4.294 0.194 8 0 "[ . 1 . 2]" 1
494 1 28 LYS HB3 1 29 GLY H 3.800 2.800 4.800 3.383 2.737 4.530 0.063 2 0 "[ . 1 . 2]" 1
495 1 28 LYS HD2 1 29 GLY H 4.000 2.600 5.400 4.341 2.969 5.534 0.134 2 0 "[ . 1 . 2]" 1
496 1 28 LYS HG2 1 29 GLY H 3.600 . 5.200 3.970 1.830 4.914 0.170 17 0 "[ . 1 . 2]" 1
497 1 28 LYS HG3 1 29 GLY H 3.600 . 5.200 3.413 1.856 4.849 0.144 5 0 "[ . 1 . 2]" 1
498 1 29 GLY H 1 29 GLY HA2 2.300 . 3.000 2.457 2.337 2.945 . 0 0 "[ . 1 . 2]" 1
499 1 29 GLY H 1 30 TYR H 3.700 . 5.400 4.028 1.851 4.712 0.149 8 0 "[ . 1 . 2]" 1
500 1 30 TYR H 1 30 TYR HB2 2.700 . 3.600 2.498 2.068 3.238 . 0 0 "[ . 1 . 2]" 1
501 1 30 TYR H 1 30 TYR QD 4.000 . 6.000 2.893 1.843 3.692 0.157 10 0 "[ . 1 . 2]" 1
502 1 30 TYR H 1 30 TYR QE 2.700 . 6.000 5.013 4.202 5.770 . 0 0 "[ . 1 . 2]" 1
503 1 30 TYR H 1 31 LYS H 3.700 . 5.000 3.943 2.897 4.394 . 0 0 "[ . 1 . 2]" 1
504 1 18 LYS HA 1 31 LYS H 4.000 . 6.000 4.382 3.776 5.423 . 0 0 "[ . 1 . 2]" 1
505 1 19 VAL MG1 1 31 LYS H 3.500 . 6.000 3.742 2.719 4.696 . 0 0 "[ . 1 . 2]" 1
506 1 19 VAL MG2 1 31 LYS H 4.300 . 6.600 5.201 4.602 5.674 . 0 0 "[ . 1 . 2]" 1
507 1 30 TYR HA 1 31 LYS H 2.400 . 3.100 2.300 2.169 3.162 0.062 12 0 "[ . 1 . 2]" 1
508 1 30 TYR HB2 1 31 LYS H 3.200 . 4.500 4.599 4.177 4.680 0.180 8 0 "[ . 1 . 2]" 1
509 1 31 LYS H 1 31 LYS HB2 3.000 2.100 3.900 3.691 3.091 4.003 0.103 11 0 "[ . 1 . 2]" 1
510 1 31 LYS H 1 31 LYS HB3 2.800 . 3.800 3.197 2.661 3.795 . 0 0 "[ . 1 . 2]" 1
511 1 31 LYS H 1 31 LYS HD2 3.200 . 6.000 4.436 1.931 5.352 . 0 0 "[ . 1 . 2]" 1
512 1 31 LYS H 1 31 LYS HG2 3.100 . 6.000 3.538 2.185 4.613 . 0 0 "[ . 1 . 2]" 1
513 1 18 LYS HE2 1 32 GLN H 3.900 . 5.800 5.595 4.764 5.905 0.105 1 0 "[ . 1 . 2]" 1
514 1 19 VAL H 1 32 GLN H 3.800 . 5.600 5.491 5.070 5.745 0.145 5 0 "[ . 1 . 2]" 1
515 1 31 LYS HA 1 32 GLN H 2.300 . 3.000 2.498 2.165 2.767 . 0 0 "[ . 1 . 2]" 1
516 1 31 LYS HB2 1 32 GLN H 2.900 . 3.900 2.790 1.768 4.067 0.167 1 0 "[ . 1 . 2]" 1
517 1 31 LYS HB3 1 32 GLN H 3.100 . 4.300 3.663 3.196 4.376 0.076 19 0 "[ . 1 . 2]" 1
518 1 31 LYS HD2 1 32 GLN H 3.100 . 4.300 4.123 3.580 4.476 0.176 11 0 "[ . 1 . 2]" 1
519 1 31 LYS HG2 1 32 GLN H 3.100 . 4.300 3.427 1.844 4.533 0.233 7 0 "[ . 1 . 2]" 1
520 1 32 GLN H 1 32 GLN HA 2.800 . 3.700 2.981 2.888 3.011 . 0 0 "[ . 1 . 2]" 1
521 1 32 GLN H 1 32 GLN HB2 2.800 . 3.800 2.602 2.118 2.867 . 0 0 "[ . 1 . 2]" 1
522 1 32 GLN H 1 32 GLN HB3 3.000 2.100 3.900 3.644 2.748 3.849 . 0 0 "[ . 1 . 2]" 1
523 1 32 GLN H 1 32 GLN HG2 3.600 . 5.200 3.523 2.782 4.616 . 0 0 "[ . 1 . 2]" 1
524 1 32 GLN HA 1 32 GLN HE21 3.900 . 5.800 3.974 1.966 5.308 0.034 1 0 "[ . 1 . 2]" 1
525 1 32 GLN HA 1 32 GLN HE22 3.800 . 5.600 5.176 3.224 5.665 0.065 19 0 "[ . 1 . 2]" 1
526 1 32 GLN HB3 1 32 GLN HE21 2.900 . 6.000 2.276 1.757 4.106 . 0 0 "[ . 1 . 2]" 1
527 1 32 GLN HE21 1 32 GLN HG2 2.800 . 3.800 3.127 2.383 3.593 . 0 0 "[ . 1 . 2]" 1
528 1 17 ILE HG12 1 33 TYR H 3.900 . 5.800 5.297 4.343 5.962 0.162 14 0 "[ . 1 . 2]" 1
529 1 17 ILE H 1 33 TYR H 3.300 . 4.600 3.877 3.225 4.556 . 0 0 "[ . 1 . 2]" 1
530 1 19 VAL H 1 33 TYR H 3.800 . 6.000 4.219 3.682 5.253 . 0 0 "[ . 1 . 2]" 1
531 1 32 GLN HA 1 33 TYR H 2.600 . 3.400 2.204 2.126 2.253 . 0 0 "[ . 1 . 2]" 1
532 1 32 GLN HB2 1 33 TYR H 3.200 . 4.500 4.337 4.000 4.590 0.090 1 0 "[ . 1 . 2]" 1
533 1 32 GLN HB3 1 33 TYR H 2.800 . 3.800 3.697 3.416 3.990 0.190 4 0 "[ . 1 . 2]" 1
534 1 32 GLN HG2 1 33 TYR H 3.400 . 4.800 4.566 3.065 4.905 0.105 15 0 "[ . 1 . 2]" 1
535 1 33 TYR H 1 33 TYR HA 2.800 . 3.800 2.991 2.962 3.011 . 0 0 "[ . 1 . 2]" 1
536 1 33 TYR H 1 33 TYR HB2 3.000 . 4.100 3.053 2.239 3.973 . 0 0 "[ . 1 . 2]" 1
537 1 33 TYR H 1 33 TYR HB3 3.200 . 4.500 3.239 2.582 3.779 . 0 0 "[ . 1 . 2]" 1
538 1 33 TYR H 1 34 TRP H 3.500 . 5.000 4.368 4.071 4.556 . 0 0 "[ . 1 . 2]" 1
539 1 32 GLN HB3 1 34 TRP H 3.900 . 6.000 5.691 4.931 6.087 0.087 2 0 "[ . 1 . 2]" 1
540 1 33 TYR HA 1 34 TRP H 2.700 . 3.600 2.192 2.072 2.285 . 0 0 "[ . 1 . 2]" 1
541 1 33 TYR HB2 1 34 TRP H 3.000 . 4.100 3.902 2.993 4.555 0.455 18 0 "[ . 1 . 2]" 1
542 1 34 TRP H 1 34 TRP HB2 3.100 . 4.300 3.664 3.516 3.863 . 0 0 "[ . 1 . 2]" 1
543 1 34 TRP H 1 34 TRP HB3 3.200 . 4.400 3.372 3.010 3.651 . 0 0 "[ . 1 . 2]" 1
544 1 34 TRP H 1 34 TRP HD1 3.100 . 6.000 2.049 1.788 2.693 . 0 0 "[ . 1 . 2]" 1
545 1 34 TRP H 1 45 TYR HB2 4.000 . 6.200 5.056 3.509 6.195 . 0 0 "[ . 1 . 2]" 1
546 1 34 TRP H 1 45 TYR H 4.500 . 6.000 4.074 3.622 4.636 . 0 0 "[ . 1 . 2]" 1
547 1 17 ILE MD 1 35 CYS H 4.300 . 6.600 4.598 3.625 5.758 . 0 0 "[ . 1 . 2]" 1
548 1 17 ILE MG 1 35 CYS H 4.200 . 6.400 5.248 3.412 6.066 . 0 0 "[ . 1 . 2]" 1
549 1 17 ILE H 1 35 CYS H 3.300 . 6.000 5.367 4.672 6.003 0.003 19 0 "[ . 1 . 2]" 1
550 1 34 TRP HA 1 35 CYS H 2.600 . 3.400 2.235 2.188 2.348 . 0 0 "[ . 1 . 2]" 1
551 1 34 TRP H 1 35 CYS H 4.800 . 7.700 4.038 3.829 4.596 . 0 0 "[ . 1 . 2]" 1
552 1 35 CYS H 1 35 CYS HB2 2.700 . 3.600 3.193 2.367 3.689 0.089 9 0 "[ . 1 . 2]" 1
553 1 35 CYS H 1 36 THR H 4.900 . 7.900 4.589 4.435 4.652 . 0 0 "[ . 1 . 2]" 1
554 1 35 CYS HA 1 36 THR H 2.600 . 3.400 2.424 2.227 2.537 . 0 0 "[ . 1 . 2]" 1
555 1 35 CYS HB2 1 36 THR H 2.900 . 4.000 3.273 2.308 3.997 . 0 0 "[ . 1 . 2]" 1
556 1 36 THR H 1 36 THR HB 3.700 . 5.400 3.560 3.224 3.974 . 0 0 "[ . 1 . 2]" 1
557 1 36 THR H 1 36 THR MG 2.800 . 3.800 2.176 1.901 2.532 . 0 0 "[ . 1 . 2]" 1
558 1 36 THR H 1 37 PHE HA 3.000 . 6.000 4.672 4.532 4.831 . 0 0 "[ . 1 . 2]" 1
559 1 36 THR H 1 37 PHE H 3.400 . 4.800 4.334 4.128 4.435 . 0 0 "[ . 1 . 2]" 1
560 1 36 THR H 1 43 SER HB3 4.100 . 6.200 5.190 4.442 5.908 . 0 0 "[ . 1 . 2]" 1
561 1 36 THR H 1 43 SER H 2.900 . 4.000 3.013 2.424 3.387 . 0 0 "[ . 1 . 2]" 1
562 1 13 LEU HB2 1 37 PHE H 3.600 . 5.200 4.798 4.233 5.139 . 0 0 "[ . 1 . 2]" 1
563 1 13 LEU MD1 1 37 PHE H 2.500 . 5.000 3.835 3.242 4.644 . 0 0 "[ . 1 . 2]" 1
564 1 13 LEU MD2 1 37 PHE H 3.400 . 5.800 5.167 4.043 5.322 . 0 0 "[ . 1 . 2]" 1
565 1 13 LEU HG 1 37 PHE H 3.200 . 6.000 5.838 5.514 6.065 0.065 12 0 "[ . 1 . 2]" 1
566 1 36 THR HA 1 37 PHE H 2.700 . 3.600 2.249 2.163 2.428 . 0 0 "[ . 1 . 2]" 1
567 1 36 THR HB 1 37 PHE H 3.000 . 4.100 3.889 3.264 4.136 0.036 9 0 "[ . 1 . 2]" 1
568 1 36 THR MG 1 37 PHE H 2.700 . 6.000 4.049 3.389 4.421 . 0 0 "[ . 1 . 2]" 1
569 1 37 PHE H 1 37 PHE HB2 3.300 . 4.600 2.377 2.187 2.715 . 0 0 "[ . 1 . 2]" 1
570 1 37 PHE H 1 37 PHE HB3 3.500 . 5.000 3.097 2.524 3.673 . 0 0 "[ . 1 . 2]" 1
571 1 37 PHE H 1 38 LYS QZ 4.300 . 6.600 5.801 4.016 6.231 . 0 0 "[ . 1 . 2]" 1
572 1 37 PHE HA 1 38 LYS H 2.300 . 3.000 2.218 2.153 2.447 . 0 0 "[ . 1 . 2]" 1
573 1 37 PHE HB3 1 38 LYS H 3.600 . 5.200 3.841 2.901 4.415 . 0 0 "[ . 1 . 2]" 1
574 1 38 LYS H 1 38 LYS HA 2.800 . 3.800 2.966 2.848 3.011 . 0 0 "[ . 1 . 2]" 1
575 1 38 LYS H 1 38 LYS HB2 3.000 . 4.100 3.336 2.147 3.990 . 0 0 "[ . 1 . 2]" 1
576 1 38 LYS H 1 38 LYS HD2 3.100 . 4.300 3.813 1.887 4.443 0.143 18 0 "[ . 1 . 2]" 1
577 1 38 LYS H 1 38 LYS HE2 3.900 . 5.800 5.374 3.941 5.873 0.073 1 0 "[ . 1 . 2]" 1
578 1 38 LYS H 1 38 LYS HG2 3.200 . 4.500 3.707 1.875 4.657 0.157 10 0 "[ . 1 . 2]" 1
579 1 38 LYS H 1 38 LYS QZ 3.100 . 4.300 3.175 2.216 4.087 . 0 0 "[ . 1 . 2]" 1
580 1 38 LYS H 1 39 ASP H 3.600 . 5.200 4.396 3.884 4.559 . 0 0 "[ . 1 . 2]" 1
581 1 38 LYS HA 1 39 ASP H 2.400 . 3.100 2.410 2.165 2.678 . 0 0 "[ . 1 . 2]" 1
582 1 38 LYS HB2 1 39 ASP H 3.200 . 4.500 3.165 1.984 4.383 . 0 0 "[ . 1 . 2]" 1
583 1 38 LYS HD2 1 39 ASP H 3.200 . 4.500 4.296 3.578 4.714 0.214 1 0 "[ . 1 . 2]" 1
584 1 38 LYS HG2 1 39 ASP H 3.900 2.900 4.900 3.852 2.720 5.041 0.180 19 0 "[ . 1 . 2]" 1
585 1 38 LYS QZ 1 39 ASP H 4.300 . 6.600 5.210 3.889 5.632 . 0 0 "[ . 1 . 2]" 1
586 1 39 ASP H 1 39 ASP HA 2.400 . 3.100 2.489 2.342 2.757 . 0 0 "[ . 1 . 2]" 1
587 1 39 ASP H 1 39 ASP HB2 2.700 . 3.600 3.047 2.296 3.517 . 0 0 "[ . 1 . 2]" 1
588 1 39 ASP HA 1 40 THR H 3.400 . 4.900 3.464 2.962 3.603 . 0 0 "[ . 1 . 2]" 1
589 1 39 ASP HB2 1 40 THR H 2.400 . 3.100 2.274 1.987 3.328 0.228 6 0 "[ . 1 . 2]" 1
590 1 40 THR H 1 40 THR MG 3.000 . 4.100 2.192 1.828 2.639 0.072 6 0 "[ . 1 . 2]" 1
591 1 37 PHE HA 1 41 SER H 3.300 . 6.000 5.612 4.776 6.032 0.032 17 0 "[ . 1 . 2]" 1
592 1 39 ASP HA 1 41 SER H 3.600 . 5.300 4.879 4.280 5.187 . 0 0 "[ . 1 . 2]" 1
593 1 39 ASP HB2 1 41 SER H 2.600 . 3.500 3.359 2.638 3.600 0.100 16 0 "[ . 1 . 2]" 1
594 1 40 THR HA 1 41 SER H 2.700 . 3.600 3.256 3.011 3.457 . 0 0 "[ . 1 . 2]" 1
595 1 40 THR MG 1 41 SER H 3.000 . 4.100 3.036 2.391 3.792 . 0 0 "[ . 1 . 2]" 1
596 1 41 SER H 1 41 SER HA 2.900 . 4.000 2.995 2.959 3.016 . 0 0 "[ . 1 . 2]" 1
597 1 41 SER H 1 41 SER HB2 2.700 . 3.600 2.817 2.352 3.664 0.064 14 0 "[ . 1 . 2]" 1
598 1 41 SER H 1 41 SER HB3 2.900 . 4.000 3.710 2.307 3.984 . 0 0 "[ . 1 . 2]" 1
599 1 41 SER H 1 42 ILE H 3.800 . 4.800 4.470 4.233 4.585 . 0 0 "[ . 1 . 2]" 1
600 1 41 SER HA 1 42 ILE H 2.500 . 3.300 2.397 2.182 2.554 . 0 0 "[ . 1 . 2]" 1
601 1 41 SER HB2 1 42 ILE H 3.100 . 4.300 3.560 2.806 4.131 . 0 0 "[ . 1 . 2]" 1
602 1 41 SER HB3 1 42 ILE H 2.800 . 3.800 2.749 2.173 3.778 . 0 0 "[ . 1 . 2]" 1
603 1 42 ILE H 1 42 ILE HA 2.700 . 3.600 2.982 2.941 3.007 . 0 0 "[ . 1 . 2]" 1
604 1 42 ILE H 1 42 ILE HB 2.700 . 3.600 2.463 2.188 2.739 . 0 0 "[ . 1 . 2]" 1
605 1 42 ILE H 1 42 ILE MD 3.200 . 4.500 3.211 1.885 4.252 0.015 3 0 "[ . 1 . 2]" 1
606 1 42 ILE H 1 42 ILE HG12 2.900 . 3.900 2.991 2.177 4.116 0.216 15 0 "[ . 1 . 2]" 1
607 1 42 ILE H 1 42 ILE HG13 4.000 . 6.000 3.972 3.581 4.406 . 0 0 "[ . 1 . 2]" 1
608 1 42 ILE H 1 59 MET H 3.200 . 4.100 3.273 2.709 3.907 . 0 0 "[ . 1 . 2]" 1
609 1 35 CYS HA 1 43 SER H 4.200 . 6.400 4.652 4.134 5.250 . 0 0 "[ . 1 . 2]" 1
610 1 42 ILE HA 1 43 SER H 2.300 . 3.000 2.376 2.172 2.430 . 0 0 "[ . 1 . 2]" 1
611 1 42 ILE HB 1 43 SER H 3.800 . 5.600 3.690 3.327 4.313 . 0 0 "[ . 1 . 2]" 1
612 1 42 ILE MD 1 43 SER H 3.600 . 5.200 3.585 2.678 4.622 . 0 0 "[ . 1 . 2]" 1
613 1 42 ILE HG13 1 43 SER H 3.300 . 4.700 4.582 3.679 4.857 0.157 7 0 "[ . 1 . 2]" 1
614 1 42 ILE MG 1 43 SER H 2.600 . 3.400 1.875 1.695 2.634 0.105 18 0 "[ . 1 . 2]" 1
615 1 43 SER H 1 43 SER HB2 3.100 . 4.300 3.426 2.486 3.925 . 0 0 "[ . 1 . 2]" 1
616 1 43 SER H 1 43 SER HB3 3.400 . 4.900 3.518 2.909 3.971 . 0 0 "[ . 1 . 2]" 1
617 1 36 THR MG 1 44 CYS H 2.900 . 6.000 5.204 4.582 5.520 . 0 0 "[ . 1 . 2]" 1
618 1 43 SER HB2 1 44 CYS H 3.300 . 4.700 3.352 2.359 4.385 . 0 0 "[ . 1 . 2]" 1
619 1 43 SER HB3 1 44 CYS H 3.200 . 4.500 3.670 2.739 4.507 0.007 14 0 "[ . 1 . 2]" 1
620 1 44 CYS H 1 44 CYS HA 2.500 . 3.300 2.980 2.938 3.011 . 0 0 "[ . 1 . 2]" 1
621 1 44 CYS H 1 44 CYS HB2 2.900 . 4.000 3.144 2.836 3.478 . 0 0 "[ . 1 . 2]" 1
622 1 44 CYS H 1 44 CYS HB3 3.100 . 4.300 2.610 2.298 2.983 . 0 0 "[ . 1 . 2]" 1
623 1 44 CYS H 1 57 HIS HB3 3.800 . 5.600 5.287 4.565 5.640 0.040 14 0 "[ . 1 . 2]" 1
624 1 44 CYS H 1 57 HIS H 3.200 . 4.200 3.619 3.084 4.207 0.007 10 0 "[ . 1 . 2]" 1
625 1 44 CYS H 1 58 GLN HA 3.200 . 4.400 3.542 2.899 4.080 . 0 0 "[ . 1 . 2]" 1
626 1 34 TRP HB2 1 45 TYR H 3.900 . 5.800 5.761 5.305 5.980 0.180 18 0 "[ . 1 . 2]" 1
627 1 34 TRP HD1 1 45 TYR H 4.200 . 6.400 4.106 2.723 5.381 . 0 0 "[ . 1 . 2]" 1
628 1 35 CYS HA 1 45 TYR H 3.600 . 5.200 3.402 2.514 4.129 . 0 0 "[ . 1 . 2]" 1
629 1 36 THR MG 1 45 TYR H 3.900 . 5.800 4.761 3.739 5.410 . 0 0 "[ . 1 . 2]" 1
630 1 44 CYS HA 1 45 TYR H 2.900 . 4.000 2.205 2.151 2.332 . 0 0 "[ . 1 . 2]" 1
631 1 45 TYR H 1 45 TYR HB2 2.600 . 3.500 2.946 2.376 3.740 0.240 11 0 "[ . 1 . 2]" 1
632 1 45 TYR H 1 45 TYR HB3 3.600 . 5.200 3.582 3.031 3.915 . 0 0 "[ . 1 . 2]" 1
633 1 34 TRP HD1 1 46 LYS H 3.800 . 5.600 5.190 4.486 5.614 0.014 3 0 "[ . 1 . 2]" 1
634 1 34 TRP HZ2 1 46 LYS H 3.400 . 6.000 5.646 4.863 6.166 0.166 20 0 "[ . 1 . 2]" 1
635 1 45 TYR HA 1 46 LYS H 2.600 . 3.400 2.213 2.145 2.289 . 0 0 "[ . 1 . 2]" 1
636 1 46 LYS H 1 46 LYS HA 2.800 . 3.800 2.975 2.955 2.994 . 0 0 "[ . 1 . 2]" 1
637 1 33 TYR H 1 46 LYS HG2 4.000 . 6.000 5.859 4.890 6.122 0.122 16 0 "[ . 1 . 2]" 1
638 1 33 TYR H 1 46 LYS HA 4.000 . 6.000 5.383 4.668 6.038 0.038 9 0 "[ . 1 . 2]" 1
639 1 46 LYS H 1 46 LYS HB2 2.500 . 3.300 2.503 2.346 2.777 . 0 0 "[ . 1 . 2]" 1
640 1 46 LYS H 1 46 LYS HE2 3.500 . 5.000 4.677 2.972 5.172 0.172 4 0 "[ . 1 . 2]" 1
641 1 46 LYS H 1 46 LYS HG2 3.000 . 4.100 3.733 2.637 4.090 . 0 0 "[ . 1 . 2]" 1
642 1 46 LYS H 1 46 LYS HG3 2.700 . 3.600 2.526 2.151 2.849 . 0 0 "[ . 1 . 2]" 1
643 1 46 LYS H 1 47 SER H 2.800 . 3.600 2.301 2.065 2.503 . 0 0 "[ . 1 . 2]" 1
644 1 46 LYS H 1 56 ALA H 3.900 . 5.800 4.582 3.824 5.825 0.025 14 0 "[ . 1 . 2]" 1
645 1 34 TRP H 1 47 SER H 4.000 . 6.000 5.983 5.642 6.147 0.147 10 0 "[ . 1 . 2]" 1
646 1 45 TYR HA 1 47 SER H 3.100 . 4.300 3.919 3.446 4.412 0.112 13 0 "[ . 1 . 2]" 1
647 1 46 LYS HA 1 47 SER H 3.000 . 4.100 3.469 3.209 3.587 . 0 0 "[ . 1 . 2]" 1
648 1 46 LYS HB2 1 47 SER H 2.600 . 6.000 2.909 2.157 3.713 . 0 0 "[ . 1 . 2]" 1
649 1 46 LYS HE2 1 47 SER H 5.000 3.000 7.000 6.033 4.941 6.922 . 0 0 "[ . 1 . 2]" 1
650 1 46 LYS HE3 1 47 SER H 4.000 . 6.000 5.929 5.313 6.256 0.256 12 0 "[ . 1 . 2]" 1
651 1 46 LYS HG2 1 47 SER H 3.800 . 5.600 5.060 4.497 5.544 . 0 0 "[ . 1 . 2]" 1
652 1 46 LYS HG3 1 47 SER H 3.300 . 4.700 4.310 3.931 4.657 . 0 0 "[ . 1 . 2]" 1
653 1 47 SER H 1 47 SER HB2 3.700 . 5.400 3.474 2.838 3.981 . 0 0 "[ . 1 . 2]" 1
654 1 47 SER H 1 47 SER HB3 3.300 . 4.600 3.449 2.640 4.084 . 0 0 "[ . 1 . 2]" 1
655 1 47 SER H 1 48 LYS H 3.500 . 5.000 4.352 3.653 4.584 . 0 0 "[ . 1 . 2]" 1
656 1 47 SER HA 1 48 LYS H 3.200 . 4.500 2.503 2.184 3.457 . 0 0 "[ . 1 . 2]" 1
657 1 47 SER HB3 1 48 LYS H 2.900 . 3.900 3.333 1.885 3.946 0.046 18 0 "[ . 1 . 2]" 1
658 1 48 LYS H 1 48 LYS HB3 2.700 . 3.600 2.803 2.266 3.649 0.049 6 0 "[ . 1 . 2]" 1
659 1 48 LYS H 1 48 LYS HD2 2.400 . 3.100 2.038 1.744 3.167 0.067 10 0 "[ . 1 . 2]" 1
660 1 48 LYS H 1 48 LYS HE2 4.000 . 6.000 3.795 2.566 4.969 . 0 0 "[ . 1 . 2]" 1
661 1 48 LYS H 1 48 LYS HE3 3.000 . 4.100 3.308 1.818 4.185 0.085 9 0 "[ . 1 . 2]" 1
662 1 48 LYS H 1 48 LYS HG2 3.000 . 4.200 3.510 2.338 4.062 . 0 0 "[ . 1 . 2]" 1
663 1 48 LYS H 1 48 LYS HG3 3.200 . 4.500 3.157 1.800 4.009 0.100 5 0 "[ . 1 . 2]" 1
664 1 48 LYS H 1 49 GLU H 4.000 . 5.100 2.526 2.334 2.887 . 0 0 "[ . 1 . 2]" 1
665 1 47 SER HB3 1 49 GLU H 3.700 . 5.400 3.435 2.267 5.321 . 0 0 "[ . 1 . 2]" 1
666 1 48 LYS HA 1 49 GLU H 3.600 . 5.200 3.396 3.316 3.548 . 0 0 "[ . 1 . 2]" 1
667 1 48 LYS HB3 1 49 GLU H 3.500 . 5.100 4.138 2.905 4.559 . 0 0 "[ . 1 . 2]" 1
668 1 48 LYS HD2 1 49 GLU H 3.200 . 4.400 2.817 1.961 4.626 0.226 10 0 "[ . 1 . 2]" 1
669 1 48 LYS HE3 1 49 GLU H 3.600 . 5.200 4.241 3.420 5.236 0.036 6 0 "[ . 1 . 2]" 1
670 1 48 LYS HG2 1 49 GLU H 4.600 . 7.200 3.794 1.934 4.845 0.066 10 0 "[ . 1 . 2]" 1
671 1 48 LYS HG3 1 49 GLU H 4.000 . 6.000 4.276 3.628 4.752 . 0 0 "[ . 1 . 2]" 1
672 1 49 GLU H 1 49 GLU HA 3.000 . 4.100 2.840 2.722 2.949 . 0 0 "[ . 1 . 2]" 1
673 1 49 GLU H 1 49 GLU HB2 3.300 . 4.600 2.488 2.148 3.567 . 0 0 "[ . 1 . 2]" 1
674 1 49 GLU H 1 49 GLU HB3 3.200 . 4.500 2.892 2.291 3.621 . 0 0 "[ . 1 . 2]" 1
675 1 49 GLU H 1 49 GLU HG2 3.400 . 4.800 4.120 2.400 4.712 . 0 0 "[ . 1 . 2]" 1
676 1 49 GLU H 1 49 GLU HG3 3.200 . 4.500 4.025 2.030 4.589 0.089 9 0 "[ . 1 . 2]" 1
677 1 49 GLU H 1 50 GLU H 3.100 . 4.100 2.747 2.484 3.141 . 0 0 "[ . 1 . 2]" 1
678 1 47 SER H 1 50 GLU H 3.400 . 4.900 4.371 3.364 5.001 0.101 18 0 "[ . 1 . 2]" 1
679 1 48 LYS HA 1 50 GLU H 3.700 . 5.400 3.969 3.058 5.216 . 0 0 "[ . 1 . 2]" 1
680 1 48 LYS H 1 50 GLU H 4.200 . 6.400 4.516 4.126 5.211 . 0 0 "[ . 1 . 2]" 1
681 1 49 GLU HG2 1 50 GLU H 3.400 . 4.900 4.317 2.547 4.945 0.045 11 0 "[ . 1 . 2]" 1
682 1 50 GLU H 1 50 GLU HA 2.600 . 3.400 2.791 2.355 2.995 . 0 0 "[ . 1 . 2]" 1
683 1 50 GLU H 1 50 GLU HB2 2.500 . 3.300 2.742 2.319 3.360 0.060 6 0 "[ . 1 . 2]" 1
684 1 50 GLU H 1 50 GLU HB3 2.300 . 6.000 3.717 3.580 4.076 . 0 0 "[ . 1 . 2]" 1
685 1 50 GLU H 1 50 GLU HG2 2.600 . 3.400 2.814 1.856 3.483 0.083 8 0 "[ . 1 . 2]" 1
686 1 50 GLU H 1 50 GLU HG3 2.800 . 3.800 2.887 1.816 3.811 0.011 17 0 "[ . 1 . 2]" 1
687 1 50 GLU H 1 51 SER HB2 3.200 . 6.000 5.000 4.172 5.578 . 0 0 "[ . 1 . 2]" 1
688 1 50 GLU H 1 51 SER H 2.700 . 3.300 2.660 2.005 3.212 . 0 0 "[ . 1 . 2]" 1
689 1 50 GLU H 1 53 GLY HA3 2.900 . 6.000 5.764 4.986 6.068 0.068 2 0 "[ . 1 . 2]" 1
690 1 50 GLU HA 1 51 SER H 2.600 . 3.400 3.282 2.865 3.538 0.138 11 0 "[ . 1 . 2]" 1
691 1 50 GLU HB2 1 51 SER H 3.000 . 4.100 3.346 1.961 4.089 . 0 0 "[ . 1 . 2]" 1
692 1 50 GLU HB3 1 51 SER H 3.100 . 4.300 4.124 3.353 4.515 0.215 18 0 "[ . 1 . 2]" 1
693 1 51 SER H 1 51 SER HB2 2.400 . 3.100 2.722 2.348 3.172 0.072 19 0 "[ . 1 . 2]" 1
694 1 51 SER H 1 52 SER H 3.000 . 4.000 3.173 2.755 4.101 0.101 4 0 "[ . 1 . 2]" 1
695 1 51 SER H 1 53 GLY HA3 3.200 . 6.000 5.651 4.943 6.027 0.027 1 0 "[ . 1 . 2]" 1
696 1 51 SER H 1 53 GLY H 4.700 . 5.600 3.946 3.592 4.190 . 0 0 "[ . 1 . 2]" 1
697 1 51 SER HB2 1 52 SER H 3.000 . 4.100 3.416 2.313 4.196 0.096 16 0 "[ . 1 . 2]" 1
698 1 52 SER H 1 52 SER HA 2.700 . 3.600 2.974 2.903 3.005 . 0 0 "[ . 1 . 2]" 1
699 1 52 SER H 1 52 SER HB2 2.800 . 3.800 2.999 2.348 3.783 . 0 0 "[ . 1 . 2]" 1
700 1 52 SER H 1 52 SER HB3 2.800 . 3.800 3.244 2.410 3.809 0.009 15 0 "[ . 1 . 2]" 1
701 1 52 SER H 1 53 GLY H 2.700 . 3.500 2.298 1.778 2.953 0.022 6 0 "[ . 1 . 2]" 1
702 1 51 SER HB2 1 53 GLY H 3.100 . 6.000 5.117 4.499 5.741 . 0 0 "[ . 1 . 2]" 1
703 1 52 SER HA 1 53 GLY H 2.800 . 3.700 3.176 3.051 3.493 . 0 0 "[ . 1 . 2]" 1
704 1 53 GLY H 1 53 GLY HA2 2.500 . 3.300 2.925 2.379 3.007 . 0 0 "[ . 1 . 2]" 1
705 1 53 GLY H 1 53 GLY HA3 2.400 . 3.100 2.565 2.385 2.979 . 0 0 "[ . 1 . 2]" 1
706 1 53 GLY H 1 54 THR HB 4.000 . 6.000 5.939 4.312 6.177 0.177 19 0 "[ . 1 . 2]" 1
707 1 53 GLY H 1 54 THR H 3.200 . 4.500 4.017 2.485 4.578 0.078 8 0 "[ . 1 . 2]" 1
708 1 53 GLY HA2 1 54 THR H 2.600 . 3.400 2.760 2.175 3.506 0.106 2 0 "[ . 1 . 2]" 1
709 1 53 GLY HA3 1 54 THR H 2.600 . 3.400 2.709 2.177 3.502 0.102 6 0 "[ . 1 . 2]" 1
710 1 54 THR H 1 54 THR HA 2.900 . 4.000 2.964 2.867 3.005 . 0 0 "[ . 1 . 2]" 1
711 1 54 THR H 1 54 THR HB 2.500 . 3.300 2.940 2.153 3.309 0.009 20 0 "[ . 1 . 2]" 1
712 1 54 THR H 1 54 THR MG 3.000 . 4.100 2.147 1.685 3.709 0.215 2 0 "[ . 1 . 2]" 1
713 1 45 TYR HA 1 56 ALA H 3.000 . 6.000 3.565 2.293 5.334 . 0 0 "[ . 1 . 2]" 1
714 1 55 PRO HB2 1 56 ALA H 3.400 . 4.800 3.313 2.718 4.171 . 0 0 "[ . 1 . 2]" 1
715 1 55 PRO HD2 1 56 ALA H 2.300 . 6.000 5.699 5.502 5.833 . 0 0 "[ . 1 . 2]" 1
716 1 55 PRO HG2 1 56 ALA H 4.400 . 6.800 5.068 4.558 5.779 . 0 0 "[ . 1 . 2]" 1
717 1 55 PRO HG3 1 56 ALA H 4.200 . 6.500 5.303 4.745 5.741 . 0 0 "[ . 1 . 2]" 1
718 1 56 ALA H 1 56 ALA MB 2.300 . 2.900 2.247 2.214 2.298 . 0 0 "[ . 1 . 2]" 1
719 1 56 ALA H 1 57 HIS H 2.700 . 3.500 2.757 2.388 2.989 . 0 0 "[ . 1 . 2]" 1
720 1 44 CYS HA 1 57 HIS H 3.100 . 6.000 5.135 4.748 5.584 . 0 0 "[ . 1 . 2]" 1
721 1 44 CYS HB2 1 57 HIS H 3.000 . 4.100 3.961 3.116 4.134 0.034 16 0 "[ . 1 . 2]" 1
722 1 44 CYS HB3 1 57 HIS H 3.100 . 4.300 2.384 2.011 2.645 . 0 0 "[ . 1 . 2]" 1
723 1 56 ALA HA 1 57 HIS H 2.700 . 3.600 3.541 3.461 3.600 . 0 0 "[ . 1 . 2]" 1
724 1 56 ALA MB 1 57 HIS H 2.400 . 3.100 2.616 2.108 2.944 . 0 0 "[ . 1 . 2]" 1
725 1 57 HIS H 1 57 HIS HB2 3.200 . 4.500 2.992 2.418 3.768 . 0 0 "[ . 1 . 2]" 1
726 1 57 HIS H 1 57 HIS HB3 3.100 . 4.300 3.453 2.823 3.904 . 0 0 "[ . 1 . 2]" 1
727 1 58 GLN H 1 58 GLN HB2 3.700 . 5.400 3.442 2.729 3.992 . 0 0 "[ . 1 . 2]" 1
728 1 58 GLN H 1 58 GLN HB3 4.700 . 7.400 3.302 2.574 3.926 . 0 0 "[ . 1 . 2]" 1
729 1 58 GLN HB2 1 58 GLN HE21 3.300 . 4.700 3.122 2.055 4.523 . 0 0 "[ . 1 . 2]" 1
730 1 58 GLN HB2 1 58 GLN HE22 3.800 . 5.600 3.999 3.344 4.985 . 0 0 "[ . 1 . 2]" 1
731 1 58 GLN HB3 1 58 GLN HE21 3.700 . 5.400 3.626 1.996 4.574 0.004 20 0 "[ . 1 . 2]" 1
732 1 58 GLN HB3 1 58 GLN HE22 4.100 . 6.200 4.356 3.389 5.306 . 0 0 "[ . 1 . 2]" 1
733 1 58 GLN HE21 1 58 GLN HG2 3.100 . 4.300 3.154 2.258 3.615 . 0 0 "[ . 1 . 2]" 1
734 1 58 GLN HE21 1 58 GLN HG3 2.900 . 4.000 2.790 2.248 3.624 . 0 0 "[ . 1 . 2]" 1
735 1 41 SER HA 1 59 MET H 3.800 . 5.600 5.241 4.780 5.576 . 0 0 "[ . 1 . 2]" 1
736 1 41 SER HB2 1 59 MET H 4.000 . 6.000 5.478 4.420 5.915 . 0 0 "[ . 1 . 2]" 1
737 1 41 SER HB3 1 59 MET H 4.300 . 6.600 4.373 3.863 5.514 . 0 0 "[ . 1 . 2]" 1
738 1 42 ILE HB 1 59 MET H 3.300 . 4.700 3.191 2.187 4.309 . 0 0 "[ . 1 . 2]" 1
739 1 44 CYS HB3 1 59 MET H 3.000 . 6.000 6.041 5.972 6.157 0.157 10 0 "[ . 1 . 2]" 1
740 1 58 GLN HA 1 59 MET H 2.400 . 3.100 2.213 2.167 2.331 . 0 0 "[ . 1 . 2]" 1
741 1 58 GLN HB3 1 59 MET H 3.100 . 4.300 4.205 3.678 4.411 0.111 8 0 "[ . 1 . 2]" 1
742 1 59 MET H 1 59 MET HA 3.000 . 4.100 2.922 2.854 2.998 . 0 0 "[ . 1 . 2]" 1
743 1 59 MET H 1 59 MET HB2 3.000 2.200 3.800 3.740 2.794 3.967 0.167 8 0 "[ . 1 . 2]" 1
744 1 59 MET H 1 59 MET HG2 2.400 . 3.100 2.802 2.452 3.316 0.216 6 0 "[ . 1 . 2]" 1
745 1 59 MET H 1 59 MET HG3 3.000 . 4.100 3.089 2.285 4.393 0.293 12 0 "[ . 1 . 2]" 1
746 1 41 SER HA 1 60 ASN H 4.100 . 6.200 4.168 3.421 6.110 . 0 0 "[ . 1 . 2]" 1
747 1 59 MET HA 1 60 ASN H 2.400 . 3.100 2.451 2.301 2.499 . 0 0 "[ . 1 . 2]" 1
748 1 59 MET HB3 1 60 ASN H 2.700 . 3.600 3.450 2.602 3.909 0.309 18 0 "[ . 1 . 2]" 1
749 1 60 ASN H 1 60 ASN HB2 2.700 . 3.600 3.300 2.521 3.654 0.054 7 0 "[ . 1 . 2]" 1
750 1 60 ASN H 1 60 ASN HB3 2.700 . 3.600 2.860 2.484 3.636 0.036 2 0 "[ . 1 . 2]" 1
751 1 60 ASN H 1 60 ASN HD21 4.000 . 6.000 3.795 2.015 5.056 . 0 0 "[ . 1 . 2]" 1
752 1 60 ASN H 1 60 ASN HD22 4.000 . 6.000 4.187 2.719 5.997 . 0 0 "[ . 1 . 2]" 1
753 1 60 ASN H 1 61 LEU MD1 4.000 . 6.000 5.045 3.940 5.603 . 0 0 "[ . 1 . 2]" 1
754 1 60 ASN H 1 61 LEU MD2 4.000 . 6.000 4.160 3.392 5.443 . 0 0 "[ . 1 . 2]" 1
755 1 60 ASN HB2 1 60 ASN HD21 3.600 . 5.200 2.818 2.249 3.562 . 0 0 "[ . 1 . 2]" 1
756 1 60 ASN HB2 1 60 ASN HD22 3.600 . 5.200 3.752 3.513 4.092 . 0 0 "[ . 1 . 2]" 1
757 1 60 ASN HB3 1 60 ASN HD21 3.200 . 4.500 2.969 2.244 3.620 . 0 0 "[ . 1 . 2]" 1
758 1 41 SER HA 1 61 LEU H 3.300 . 4.600 4.525 4.040 4.692 0.092 20 0 "[ . 1 . 2]" 1
759 1 60 ASN HA 1 61 LEU H 4.000 . 6.000 2.261 2.196 2.345 . 0 0 "[ . 1 . 2]" 1
760 1 60 ASN HB3 1 61 LEU H 4.400 . 6.800 4.386 3.863 4.558 . 0 0 "[ . 1 . 2]" 1
761 1 61 LEU H 1 61 LEU HB2 3.100 . 4.300 2.498 2.264 3.614 . 0 0 "[ . 1 . 2]" 1
762 1 61 LEU H 1 61 LEU HB3 3.200 . 4.500 3.581 2.920 3.678 . 0 0 "[ . 1 . 2]" 1
763 1 61 LEU H 1 61 LEU MD1 3.600 . 5.200 3.362 1.605 4.001 0.395 18 0 "[ . 1 . 2]" 1
764 1 61 LEU H 1 61 LEU MD2 3.400 . 4.800 2.060 1.648 3.974 0.352 13 0 "[ . 1 . 2]" 1
765 1 61 LEU H 1 61 LEU HG 3.100 . 4.300 3.675 2.495 3.996 . 0 0 "[ . 1 . 2]" 1
766 1 61 LEU H 1 62 ARG H 4.000 . 6.000 2.647 2.532 2.891 . 0 0 "[ . 1 . 2]" 1
767 1 41 SER HA 1 62 ARG H 4.000 . 6.000 5.880 5.295 6.117 0.117 15 0 "[ . 1 . 2]" 1
768 1 60 ASN HA 1 62 ARG H 4.000 . 6.000 3.910 3.200 4.307 . 0 0 "[ . 1 . 2]" 1
769 1 60 ASN HB2 1 62 ARG H 4.300 . 6.600 4.503 2.360 6.221 . 0 0 "[ . 1 . 2]" 1
770 1 60 ASN HB3 1 62 ARG H 4.000 . 6.000 5.218 3.935 6.030 0.030 6 0 "[ . 1 . 2]" 1
771 1 61 LEU HA 1 62 ARG H 4.000 . 6.000 3.473 3.215 3.586 . 0 0 "[ . 1 . 2]" 1
772 1 61 LEU MD2 1 62 ARG H 4.000 . 6.000 3.684 2.173 4.685 . 0 0 "[ . 1 . 2]" 1
773 1 62 ARG H 1 62 ARG HA 2.700 . 3.600 2.474 2.331 2.885 . 0 0 "[ . 1 . 2]" 1
774 1 62 ARG H 1 62 ARG HB2 2.200 . 6.000 3.041 2.471 3.720 . 0 0 "[ . 1 . 2]" 1
775 1 62 ARG H 1 62 ARG HD2 3.100 . 6.000 5.286 4.141 6.053 0.053 5 0 "[ . 1 . 2]" 1
776 1 62 ARG H 1 62 ARG HG2 2.400 . 6.000 4.595 3.247 4.982 . 0 0 "[ . 1 . 2]" 1
777 1 62 ARG H 1 63 GLY HA2 4.000 . 6.500 6.355 5.460 6.538 0.038 1 0 "[ . 1 . 2]" 1
778 1 62 ARG H 1 63 GLY H 3.200 . 4.500 4.493 4.074 4.663 0.163 1 0 "[ . 1 . 2]" 1
779 1 62 ARG HA 1 63 GLY H 2.400 . 3.100 2.366 2.119 2.804 . 0 0 "[ . 1 . 2]" 1
780 1 62 ARG HB2 1 63 GLY H 2.900 . 4.000 3.809 1.982 4.148 0.148 8 0 "[ . 1 . 2]" 1
781 1 62 ARG HD2 1 63 GLY H 3.500 . 5.000 4.029 2.410 4.999 . 0 0 "[ . 1 . 2]" 1
782 1 62 ARG HG2 1 63 GLY H 2.900 . 3.900 2.454 1.797 3.974 0.103 2 0 "[ . 1 . 2]" 1
783 1 63 GLY H 1 63 GLY HA2 2.700 . 3.600 2.380 2.336 2.641 . 0 0 "[ . 1 . 2]" 1
784 1 63 GLY H 1 63 GLY HA3 2.600 . 3.400 2.872 2.734 2.991 . 0 0 "[ . 1 . 2]" 1
785 1 63 GLY H 1 64 CYS H 2.800 . 3.400 2.663 1.882 3.369 . 0 0 "[ . 1 . 2]" 1
786 1 63 GLY H 1 112 ALA MB 4.000 . 6.000 3.891 2.442 4.949 . 0 0 "[ . 1 . 2]" 1
787 1 63 GLY H 1 115 GLY H 4.000 . 6.500 4.792 4.113 5.533 . 0 0 "[ . 1 . 2]" 1
788 1 63 GLY HA2 1 64 CYS H 3.000 . 4.100 2.969 2.427 3.378 . 0 0 "[ . 1 . 2]" 1
789 1 63 GLY HA3 1 64 CYS H 3.000 . 4.100 3.507 3.297 3.609 . 0 0 "[ . 1 . 2]" 1
790 1 64 CYS H 1 64 CYS HA 2.700 . 3.600 2.912 2.795 2.999 . 0 0 "[ . 1 . 2]" 1
791 1 64 CYS H 1 64 CYS HB2 2.900 . 4.000 3.600 3.518 3.719 . 0 0 "[ . 1 . 2]" 1
792 1 64 CYS H 1 64 CYS HB3 2.600 . 3.500 2.896 2.580 3.180 . 0 0 "[ . 1 . 2]" 1
793 1 64 CYS H 1 65 GLU HA 2.700 . 6.000 5.369 4.975 5.534 . 0 0 "[ . 1 . 2]" 1
794 1 64 CYS H 1 65 GLU H 3.300 . 4.700 4.626 4.514 4.688 . 0 0 "[ . 1 . 2]" 1
795 1 64 CYS H 1 81 LEU MD1 3.000 . 6.000 4.971 4.737 5.170 . 0 0 "[ . 1 . 2]" 1
796 1 64 CYS H 1 83 ILE HA 4.000 . 6.000 5.898 5.383 6.076 0.076 15 0 "[ . 1 . 2]" 1
797 1 64 CYS H 1 83 ILE MD 3.400 . 4.900 4.511 3.220 4.699 . 0 0 "[ . 1 . 2]" 1
798 1 64 CYS H 1 84 PRO HD2 3.100 . 6.000 5.921 5.151 6.177 0.177 17 0 "[ . 1 . 2]" 1
799 1 64 CYS HB2 1 65 GLU H 2.600 . 3.400 2.866 2.440 3.515 0.115 17 0 "[ . 1 . 2]" 1
800 1 64 CYS HB3 1 65 GLU H 2.800 . 3.800 3.877 3.792 4.007 0.207 17 0 "[ . 1 . 2]" 1
801 1 65 GLU H 1 65 GLU HA 3.000 . 4.200 2.959 2.914 3.004 . 0 0 "[ . 1 . 2]" 1
802 1 65 GLU H 1 65 GLU HB2 2.600 . 3.400 2.489 2.208 2.680 . 0 0 "[ . 1 . 2]" 1
803 1 65 GLU H 1 65 GLU HB3 2.900 . 4.000 2.814 2.507 3.497 . 0 0 "[ . 1 . 2]" 1
804 1 65 GLU H 1 65 GLU HG2 3.300 . 4.600 4.549 4.066 4.695 0.095 18 0 "[ . 1 . 2]" 1
805 1 65 GLU H 1 66 VAL HA 2.500 . 6.000 5.195 4.985 5.377 . 0 0 "[ . 1 . 2]" 1
806 1 65 GLU H 1 81 LEU HA 4.100 . 6.200 4.799 4.139 5.181 . 0 0 "[ . 1 . 2]" 1
807 1 65 GLU H 1 81 LEU MD1 3.100 . 4.300 3.205 2.875 3.655 . 0 0 "[ . 1 . 2]" 1
808 1 65 GLU H 1 82 LEU HA 4.000 . 6.000 4.837 4.662 4.969 . 0 0 "[ . 1 . 2]" 1
809 1 65 GLU H 1 82 LEU MD1 4.000 . 6.000 5.439 4.963 5.682 . 0 0 "[ . 1 . 2]" 1
810 1 65 GLU H 1 82 LEU HG 4.000 . 6.000 4.729 4.148 5.290 . 0 0 "[ . 1 . 2]" 1
811 1 65 GLU H 1 83 ILE HA 3.200 . 4.500 3.031 2.695 3.610 . 0 0 "[ . 1 . 2]" 1
812 1 65 GLU H 1 83 ILE MD 3.500 2.100 4.900 4.112 2.514 4.403 . 0 0 "[ . 1 . 2]" 1
813 1 65 GLU H 1 83 ILE HG12 2.900 . 4.000 2.842 2.419 4.172 0.172 20 0 "[ . 1 . 2]" 1
814 1 65 GLU H 1 83 ILE H 4.200 . 6.400 4.725 4.574 4.928 . 0 0 "[ . 1 . 2]" 1
815 1 65 GLU H 1 84 PRO HD2 2.800 . 6.000 4.517 4.110 5.268 . 0 0 "[ . 1 . 2]" 1
816 1 65 GLU HA 1 66 VAL H 2.300 . 2.900 2.309 2.177 2.547 . 0 0 "[ . 1 . 2]" 1
817 1 65 GLU HB3 1 66 VAL H 2.700 . 6.000 3.645 2.634 4.268 . 0 0 "[ . 1 . 2]" 1
818 1 65 GLU HG2 1 66 VAL H 3.200 . 4.400 3.131 1.844 4.427 0.156 11 0 "[ . 1 . 2]" 1
819 1 65 GLU HG3 1 66 VAL H 3.100 . 4.300 3.240 1.891 4.337 0.037 19 0 "[ . 1 . 2]" 1
820 1 65 GLU H 1 66 VAL H 3.200 . 4.500 4.537 4.344 4.618 0.118 10 0 "[ . 1 . 2]" 1
821 1 66 VAL H 1 66 VAL HA 2.900 . 3.900 2.978 2.949 3.003 . 0 0 "[ . 1 . 2]" 1
822 1 66 VAL H 1 66 VAL HB 4.000 . 6.000 3.360 2.865 3.862 . 0 0 "[ . 1 . 2]" 1
823 1 66 VAL H 1 66 VAL MG1 2.400 . 3.100 2.145 1.747 2.875 . 0 0 "[ . 1 . 2]" 1
824 1 66 VAL H 1 67 THR H 3.700 . 5.000 4.337 4.122 4.536 . 0 0 "[ . 1 . 2]" 1
825 1 66 VAL QG 1 110 ARG HA 5.000 2.800 7.000 2.359 2.102 2.703 0.698 16 8 "[ * * * **+- *2]" 1
826 1 66 VAL QG 1 110 ARG QB 3.500 . 5.100 3.111 2.396 3.450 . 0 0 "[ . 1 . 2]" 1
827 1 66 VAL HA 1 67 THR H 2.400 . 3.100 2.166 2.124 2.198 . 0 0 "[ . 1 . 2]" 1
828 1 66 VAL HB 1 67 THR H 3.000 . 4.200 4.003 3.031 4.273 0.073 4 0 "[ . 1 . 2]" 1
829 1 66 VAL MG1 1 67 THR H 4.000 . 6.000 4.052 3.819 4.239 . 0 0 "[ . 1 . 2]" 1
830 1 67 THR H 1 67 THR HB 2.800 . 3.800 2.908 2.633 3.358 . 0 0 "[ . 1 . 2]" 1
831 1 67 THR H 1 67 THR MG 3.500 2.400 4.600 3.937 3.832 4.030 . 0 0 "[ . 1 . 2]" 1
832 1 67 THR H 1 79 ILE HA 4.600 . 7.300 4.937 4.001 5.490 . 0 0 "[ . 1 . 2]" 1
833 1 67 THR H 1 80 LYS HB3 3.500 . 5.100 4.001 3.008 5.140 0.040 15 0 "[ . 1 . 2]" 1
834 1 67 THR H 1 80 LYS HD2 3.500 . 5.100 5.044 4.244 5.287 0.187 4 0 "[ . 1 . 2]" 1
835 1 67 THR H 1 80 LYS H 3.200 . 4.100 3.661 2.579 4.199 0.099 2 0 "[ . 1 . 2]" 1
836 1 67 THR H 1 81 LEU HA 4.000 . 6.000 4.145 3.489 4.664 . 0 0 "[ . 1 . 2]" 1
837 1 67 THR H 1 81 LEU MD1 4.000 . 6.000 5.109 4.176 5.671 . 0 0 "[ . 1 . 2]" 1
838 1 67 THR H 1 81 LEU MD2 4.000 . 6.000 3.700 2.589 4.653 . 0 0 "[ . 1 . 2]" 1
839 1 67 THR H 1 110 ARG HA 4.000 . 7.500 7.520 7.307 7.618 0.118 3 0 "[ . 1 . 2]" 1
840 1 67 THR H 1 82 LEU H 4.500 . 5.200 5.154 4.591 5.301 0.101 16 0 "[ . 1 . 2]" 1
841 1 68 PRO HA 1 69 ASP H 2.400 . 3.100 2.243 2.170 2.335 . 0 0 "[ . 1 . 2]" 1
842 1 68 PRO HB2 1 69 ASP H 3.100 . 4.300 3.330 2.895 3.768 . 0 0 "[ . 1 . 2]" 1
843 1 68 PRO HG2 1 69 ASP H 3.800 . 5.600 4.819 4.496 5.537 . 0 0 "[ . 1 . 2]" 1
844 1 68 PRO HG3 1 69 ASP H 3.100 . 6.000 5.521 5.119 5.749 . 0 0 "[ . 1 . 2]" 1
845 1 69 ASP H 1 69 ASP HB2 2.900 . 4.000 3.060 2.734 3.404 . 0 0 "[ . 1 . 2]" 1
846 1 69 ASP H 1 69 ASP HB3 2.900 . 4.000 3.594 3.026 4.016 0.016 10 0 "[ . 1 . 2]" 1
847 1 69 ASP H 1 78 ASN HB2 3.900 . 5.800 5.759 4.181 5.951 0.151 9 0 "[ . 1 . 2]" 1
848 1 69 ASP H 1 78 ASN HB3 3.400 . 4.800 4.628 4.271 4.912 0.112 2 0 "[ . 1 . 2]" 1
849 1 69 ASP H 1 78 ASN H 3.600 . 5.200 4.118 3.761 4.503 . 0 0 "[ . 1 . 2]" 1
850 1 69 ASP H 1 79 ILE HA 3.300 . 4.700 3.377 2.709 3.989 . 0 0 "[ . 1 . 2]" 1
851 1 69 ASP H 1 79 ILE H 4.000 . 6.000 5.330 4.855 5.752 . 0 0 "[ . 1 . 2]" 1
852 1 69 ASP H 1 80 LYS H 5.000 . 8.100 4.353 3.490 5.336 . 0 0 "[ . 1 . 2]" 1
853 1 69 ASP HA 1 70 VAL H 2.300 . 2.900 2.281 2.201 2.355 . 0 0 "[ . 1 . 2]" 1
854 1 69 ASP HB2 1 70 VAL H 3.500 . 5.000 4.553 4.335 4.699 . 0 0 "[ . 1 . 2]" 1
855 1 69 ASP HB3 1 70 VAL H 3.000 . 4.200 4.131 3.685 4.366 0.166 8 0 "[ . 1 . 2]" 1
856 1 70 VAL H 1 70 VAL HA 2.700 . 3.600 2.990 2.954 3.002 . 0 0 "[ . 1 . 2]" 1
857 1 70 VAL H 1 70 VAL HB 2.500 . 3.300 3.268 3.035 3.521 0.221 3 0 "[ . 1 . 2]" 1
858 1 70 VAL H 1 70 VAL QG 3.600 2.800 4.400 1.951 1.741 2.200 1.059 18 20 [****-************+**] 1
859 1 70 VAL QG 1 77 PHE QD 4.000 . 6.000 2.444 1.976 3.175 0.024 1 0 "[ . 1 . 2]" 1
860 1 70 VAL QG 1 102 TYR QD 4.000 . 6.000 3.445 2.744 4.107 . 0 0 "[ . 1 . 2]" 1
861 1 70 VAL QG 1 102 TYR QE 4.000 . 6.000 2.838 2.110 3.476 . 0 0 "[ . 1 . 2]" 1
862 1 70 VAL H 1 71 ASN H 3.500 . 4.800 4.371 4.152 4.498 . 0 0 "[ . 1 . 2]" 1
863 1 70 VAL HA 1 71 ASN H 2.400 . 3.100 2.172 2.119 2.246 . 0 0 "[ . 1 . 2]" 1
864 1 70 VAL HB 1 71 ASN H 3.000 . 6.000 4.091 3.718 4.323 . 0 0 "[ . 1 . 2]" 1
865 1 70 VAL QG 1 71 ASN H . 2.900 3.500 2.466 1.932 2.934 0.968 5 9 "[ * +*-* 1 *** *2]" 1
866 1 71 ASN H 1 71 ASN HA 2.900 . 3.900 2.994 2.972 3.011 . 0 0 "[ . 1 . 2]" 1
867 1 71 ASN H 1 71 ASN HB2 2.600 . 3.500 2.476 2.278 2.837 . 0 0 "[ . 1 . 2]" 1
868 1 71 ASN H 1 72 ILE HA 4.000 . 6.000 4.899 4.626 5.151 . 0 0 "[ . 1 . 2]" 1
869 1 71 ASN H 1 72 ILE H 3.800 . 5.600 4.289 4.028 4.510 . 0 0 "[ . 1 . 2]" 1
870 1 71 ASN H 1 76 LYS HB3 4.000 . 6.000 4.374 3.147 6.012 0.012 9 0 "[ . 1 . 2]" 1
871 1 71 ASN H 1 76 LYS HE2 4.000 . 6.000 5.831 4.418 6.080 0.080 19 0 "[ . 1 . 2]" 1
872 1 71 ASN H 1 76 LYS HG2 4.000 . 6.500 5.256 2.601 6.807 0.307 9 0 "[ . 1 . 2]" 1
873 1 71 ASN H 1 76 LYS HG3 4.000 . 6.000 4.609 2.538 5.848 . 0 0 "[ . 1 . 2]" 1
874 1 71 ASN H 1 76 LYS H 4.000 . 4.300 3.325 2.652 4.218 . 0 0 "[ . 1 . 2]" 1
875 1 71 ASN H 1 77 PHE HA 4.200 . 6.400 4.252 3.207 5.173 . 0 0 "[ . 1 . 2]" 1
876 1 71 ASN H 1 78 ASN H 3.500 . 5.000 4.474 3.450 5.013 0.013 17 0 "[ . 1 . 2]" 1
877 1 70 VAL QG 1 72 ILE H 4.000 . 6.000 3.499 2.935 3.982 . 0 0 "[ . 1 . 2]" 1
878 1 71 ASN HB2 1 72 ILE H 3.400 . 4.800 4.380 4.119 4.675 . 0 0 "[ . 1 . 2]" 1
879 1 72 ILE H 1 72 ILE HB 2.700 . 3.600 2.770 2.313 3.626 0.026 1 0 "[ . 1 . 2]" 1
880 1 72 ILE H 1 72 ILE MD 2.900 . 4.000 2.133 1.604 3.591 0.196 13 0 "[ . 1 . 2]" 1
881 1 72 ILE H 1 72 ILE HG12 3.000 . 4.100 3.190 1.858 4.000 0.042 12 0 "[ . 1 . 2]" 1
882 1 72 ILE H 1 72 ILE HG13 2.900 . 4.000 3.017 1.831 3.886 . 0 0 "[ . 1 . 2]" 1
883 1 72 ILE HA 1 73 SER H 3.500 . 5.100 3.475 3.413 3.564 . 0 0 "[ . 1 . 2]" 1
884 1 72 ILE HB 1 73 SER H 3.200 . 4.400 3.145 2.614 4.079 . 0 0 "[ . 1 . 2]" 1
885 1 72 ILE MD 1 73 SER H 3.500 2.300 4.700 3.599 2.245 4.361 0.055 20 0 "[ . 1 . 2]" 1
886 1 72 ILE H 1 73 SER H 3.600 . 5.300 2.577 2.450 2.928 . 0 0 "[ . 1 . 2]" 1
887 1 73 SER H 1 73 SER HA 3.000 . 4.100 2.799 2.758 2.947 . 0 0 "[ . 1 . 2]" 1
888 1 73 SER H 1 73 SER HB2 2.700 . 3.600 2.587 2.270 3.635 0.035 9 0 "[ . 1 . 2]" 1
889 1 73 SER H 1 74 GLY H 3.300 . 4.700 2.861 2.462 3.048 . 0 0 "[ . 1 . 2]" 1
890 1 73 SER H 1 75 GLN H 4.000 . 6.000 3.767 3.522 3.974 . 0 0 "[ . 1 . 2]" 1
891 1 73 SER HB2 1 74 GLY H 2.800 . 3.800 3.365 2.349 3.895 0.095 19 0 "[ . 1 . 2]" 1
892 1 74 GLY H 1 74 GLY HA2 2.500 . 3.300 2.998 2.891 3.012 . 0 0 "[ . 1 . 2]" 1
893 1 74 GLY H 1 74 GLY HA3 2.400 . 3.100 2.502 2.348 2.541 . 0 0 "[ . 1 . 2]" 1
894 1 74 GLY H 1 75 GLN H 2.700 . 3.500 2.260 1.925 2.614 . 0 0 "[ . 1 . 2]" 1
895 1 73 SER HB2 1 75 GLN H 4.000 . 6.000 5.107 4.378 5.599 . 0 0 "[ . 1 . 2]" 1
896 1 74 GLY HA3 1 75 GLN H 2.800 . 3.800 3.374 2.918 3.480 . 0 0 "[ . 1 . 2]" 1
897 1 75 GLN H 1 75 GLN HA 2.200 . 2.800 2.378 2.324 2.950 0.150 9 0 "[ . 1 . 2]" 1
898 1 75 GLN H 1 75 GLN HB2 2.900 . 4.000 3.595 2.760 3.967 . 0 0 "[ . 1 . 2]" 1
899 1 75 GLN H 1 75 GLN HG2 2.400 . 3.600 3.064 2.488 3.859 0.259 5 0 "[ . 1 . 2]" 1
900 1 75 GLN H 1 76 LYS HB3 4.500 2.300 6.500 6.097 5.087 6.534 0.034 10 0 "[ . 1 . 2]" 1
901 1 75 GLN H 1 76 LYS H 2.600 . 3.300 3.011 2.741 3.428 0.128 10 0 "[ . 1 . 2]" 1
902 1 70 VAL HA 1 76 LYS H 4.400 . 6.800 4.822 4.053 5.538 . 0 0 "[ . 1 . 2]" 1
903 1 70 VAL QG 1 76 LYS H 3.900 . 5.800 3.157 2.290 3.979 . 0 0 "[ . 1 . 2]" 1
904 1 71 ASN HB2 1 76 LYS H 2.800 . 3.800 3.603 2.903 4.034 0.234 18 0 "[ . 1 . 2]" 1
905 1 72 ILE MD 1 76 LYS H 4.500 3.000 6.000 5.163 4.336 5.745 . 0 0 "[ . 1 . 2]" 1
906 1 75 GLN HA 1 76 LYS H 2.400 . 3.100 2.731 2.296 3.374 0.274 9 0 "[ . 1 . 2]" 1
907 1 75 GLN HB2 1 76 LYS H 3.700 . 5.500 4.205 1.976 4.520 . 0 0 "[ . 1 . 2]" 1
908 1 75 GLN HG2 1 76 LYS H 2.800 . 6.000 5.074 4.001 5.919 . 0 0 "[ . 1 . 2]" 1
909 1 76 LYS H 1 76 LYS HA 2.600 . 3.400 2.964 2.833 3.014 . 0 0 "[ . 1 . 2]" 1
910 1 76 LYS H 1 76 LYS HB3 4.000 . 6.000 3.601 3.208 3.881 . 0 0 "[ . 1 . 2]" 1
911 1 76 LYS H 1 76 LYS HD2 3.000 . 4.200 4.160 2.355 4.522 0.322 20 0 "[ . 1 . 2]" 1
912 1 76 LYS H 1 76 LYS HE2 4.000 . 6.000 4.412 2.183 5.623 . 0 0 "[ . 1 . 2]" 1
913 1 76 LYS H 1 76 LYS HE3 4.000 . 6.000 3.583 2.198 4.623 . 0 0 "[ . 1 . 2]" 1
914 1 76 LYS H 1 76 LYS HG2 3.300 . 4.600 3.685 1.807 4.673 0.193 20 0 "[ . 1 . 2]" 1
915 1 76 LYS H 1 76 LYS HG3 3.200 . 4.500 2.870 1.855 4.132 0.045 1 0 "[ . 1 . 2]" 1
916 1 76 LYS H 1 77 PHE QD 3.800 . 5.600 4.965 3.830 5.383 . 0 0 "[ . 1 . 2]" 1
917 1 76 LYS H 1 77 PHE H 4.000 . 5.200 4.142 3.713 4.440 . 0 0 "[ . 1 . 2]" 1
918 1 76 LYS HA 1 77 PHE H 2.500 . 3.300 2.326 2.123 2.957 . 0 0 "[ . 1 . 2]" 1
919 1 76 LYS HB3 1 77 PHE H 3.100 . 6.000 3.969 3.293 4.307 . 0 0 "[ . 1 . 2]" 1
920 1 76 LYS HG2 1 77 PHE H 3.500 . 5.000 4.930 4.001 5.219 0.219 7 0 "[ . 1 . 2]" 1
921 1 76 LYS HG3 1 77 PHE H 3.500 . 5.000 4.738 4.075 5.126 0.126 1 0 "[ . 1 . 2]" 1
922 1 77 PHE H 1 77 PHE HB2 3.300 . 4.700 2.827 2.268 3.230 . 0 0 "[ . 1 . 2]" 1
923 1 77 PHE H 1 77 PHE HB3 3.400 . 4.800 3.667 3.544 3.854 . 0 0 "[ . 1 . 2]" 1
924 1 77 PHE H 1 77 PHE QD 3.100 . 4.300 2.094 1.761 2.802 0.139 16 0 "[ . 1 . 2]" 1
925 1 70 VAL HA 1 78 ASN H 3.000 . 4.100 2.771 2.066 3.261 . 0 0 "[ . 1 . 2]" 1
926 1 70 VAL QG 1 78 ASN H 2.900 . 4.500 3.458 2.985 3.745 . 0 0 "[ . 1 . 2]" 1
927 1 77 PHE HA 1 78 ASN H 2.400 . 3.100 2.225 2.156 2.307 . 0 0 "[ . 1 . 2]" 1
928 1 77 PHE QD 1 78 ASN H 3.500 . 6.000 4.820 4.421 5.008 . 0 0 "[ . 1 . 2]" 1
929 1 78 ASN H 1 78 ASN HB2 3.000 . 4.100 2.786 2.450 3.099 . 0 0 "[ . 1 . 2]" 1
930 1 78 ASN H 1 78 ASN HB3 2.800 . 3.700 2.972 2.594 3.683 . 0 0 "[ . 1 . 2]" 1
931 1 78 ASN H 1 79 ILE H 4.100 . 6.200 4.079 3.942 4.370 . 0 0 "[ . 1 . 2]" 1
932 1 78 ASN H 1 102 TYR QD 4.100 . 6.200 5.128 4.717 5.487 . 0 0 "[ . 1 . 2]" 1
933 1 78 ASN H 1 102 TYR QE 4.100 . 6.200 3.262 2.473 3.816 . 0 0 "[ . 1 . 2]" 1
934 1 79 ILE H 1 102 TYR QD 4.100 . 6.200 5.020 4.499 5.679 . 0 0 "[ . 1 . 2]" 1
935 1 79 ILE H 1 102 TYR QE 4.100 . 6.200 3.112 2.256 4.602 . 0 0 "[ . 1 . 2]" 1
936 1 78 ASN HA 1 79 ILE H 2.700 . 3.600 2.250 2.153 2.312 . 0 0 "[ . 1 . 2]" 1
937 1 78 ASN HB2 1 79 ILE H 3.300 . 4.700 4.621 4.394 4.706 0.006 9 0 "[ . 1 . 2]" 1
938 1 78 ASN HB3 1 79 ILE H 3.600 . 5.200 4.262 3.965 4.437 . 0 0 "[ . 1 . 2]" 1
939 1 79 ILE H 1 79 ILE HB 2.900 . 4.000 2.836 2.316 3.726 . 0 0 "[ . 1 . 2]" 1
940 1 79 ILE H 1 79 ILE MD 2.700 . 4.200 3.499 1.608 4.227 0.192 13 0 "[ . 1 . 2]" 1
941 1 67 THR HB 1 80 LYS H 3.500 . 5.100 3.803 2.683 4.608 . 0 0 "[ . 1 . 2]" 1
942 1 79 ILE HA 1 80 LYS H 2.600 . 3.400 2.194 2.148 2.248 . 0 0 "[ . 1 . 2]" 1
943 1 79 ILE HB 1 80 LYS H 3.100 . 4.300 4.176 3.048 4.522 0.222 12 0 "[ . 1 . 2]" 1
944 1 79 ILE MD 1 80 LYS H 2.700 . 6.000 3.674 1.961 5.111 . 0 0 "[ . 1 . 2]" 1
945 1 79 ILE H 1 80 LYS H 3.600 . 5.200 4.447 4.255 4.605 . 0 0 "[ . 1 . 2]" 1
946 1 80 LYS H 1 80 LYS HB3 3.000 . 4.100 2.615 2.188 3.319 . 0 0 "[ . 1 . 2]" 1
947 1 80 LYS H 1 80 LYS HD2 2.900 . 6.000 4.766 3.739 5.259 . 0 0 "[ . 1 . 2]" 1
948 1 80 LYS H 1 80 LYS HD3 3.300 . 4.700 4.719 4.440 4.862 0.162 8 0 "[ . 1 . 2]" 1
949 1 80 LYS H 1 80 LYS HE2 4.300 . 6.600 6.418 5.523 6.632 0.032 16 0 "[ . 1 . 2]" 1
950 1 80 LYS H 1 80 LYS HG2 3.300 . 4.700 4.114 2.462 4.701 0.001 4 0 "[ . 1 . 2]" 1
951 1 80 LYS H 1 80 LYS HG3 3.300 . 4.700 4.333 2.443 4.812 0.112 14 0 "[ . 1 . 2]" 1
952 1 80 LYS HA 1 81 LEU H 2.700 . 3.600 2.253 2.167 2.337 . 0 0 "[ . 1 . 2]" 1
953 1 80 LYS HB3 1 81 LEU H 4.100 . 6.200 4.376 4.109 4.609 . 0 0 "[ . 1 . 2]" 1
954 1 80 LYS HG2 1 81 LEU H 3.700 . 5.400 4.097 3.093 5.391 . 0 0 "[ . 1 . 2]" 1
955 1 80 LYS HG3 1 81 LEU H 4.000 . 6.000 4.772 3.344 5.482 . 0 0 "[ . 1 . 2]" 1
956 1 80 LYS H 1 81 LEU H 3.700 . 5.400 4.265 4.046 4.589 . 0 0 "[ . 1 . 2]" 1
957 1 81 LEU H 1 81 LEU HB2 3.200 . 4.500 2.344 2.160 2.584 . 0 0 "[ . 1 . 2]" 1
958 1 81 LEU H 1 81 LEU HB3 3.000 . 4.100 3.189 2.924 3.453 . 0 0 "[ . 1 . 2]" 1
959 1 81 LEU H 1 81 LEU MD1 4.000 2.900 5.100 4.341 4.219 4.468 . 0 0 "[ . 1 . 2]" 1
960 1 81 LEU H 1 81 LEU MD2 4.200 2.900 5.500 3.384 2.899 3.930 0.001 18 0 "[ . 1 . 2]" 1
961 1 81 LEU H 1 81 LEU HG 2.800 . 6.000 4.597 4.295 4.853 . 0 0 "[ . 1 . 2]" 1
962 1 81 LEU H 1 82 LEU H 3.500 . 5.000 4.416 4.230 4.607 . 0 0 "[ . 1 . 2]" 1
963 1 81 LEU H 1 92 ILE MG 3.100 . 4.300 3.867 3.370 4.120 . 0 0 "[ . 1 . 2]" 1
964 1 81 LEU H 1 92 ILE H 3.300 . 4.300 4.166 3.687 4.405 0.105 8 0 "[ . 1 . 2]" 1
965 1 81 LEU H 1 93 TRP HA 3.400 . 4.800 2.971 2.014 3.682 . 0 0 "[ . 1 . 2]" 1
966 1 81 LEU H 1 93 TRP HE3 3.200 . 6.000 5.033 1.806 6.235 0.235 11 0 "[ . 1 . 2]" 1
967 1 65 GLU HB2 1 82 LEU H 2.900 . 4.000 3.928 3.196 4.111 0.111 9 0 "[ . 1 . 2]" 1
968 1 65 GLU HB3 1 82 LEU H 3.300 . 4.600 2.693 2.142 3.725 . 0 0 "[ . 1 . 2]" 1
969 1 66 VAL HA 1 82 LEU H 3.100 . 4.300 4.140 3.409 4.443 0.143 18 0 "[ . 1 . 2]" 1
970 1 81 LEU HA 1 82 LEU H 2.400 . 3.100 2.183 2.113 2.235 . 0 0 "[ . 1 . 2]" 1
971 1 81 LEU MD2 1 82 LEU H 3.000 2.200 3.800 3.652 3.438 3.763 . 0 0 "[ . 1 . 2]" 1
972 1 82 LEU H 1 82 LEU HA 3.000 . 4.100 2.995 2.970 3.014 . 0 0 "[ . 1 . 2]" 1
973 1 82 LEU H 1 82 LEU MD1 2.800 . 6.000 4.357 4.293 4.452 . 0 0 "[ . 1 . 2]" 1
974 1 82 LEU H 1 82 LEU HG 2.800 . 6.000 4.373 4.043 4.516 . 0 0 "[ . 1 . 2]" 1
975 1 82 LEU H 1 83 ILE H 3.200 . 4.500 4.454 4.362 4.538 0.038 1 0 "[ . 1 . 2]" 1
976 1 82 LEU HA 1 83 ILE H 2.400 . 3.100 2.289 2.247 2.336 . 0 0 "[ . 1 . 2]" 1
977 1 82 LEU MD1 1 83 ILE H 2.800 . 3.800 1.934 1.778 2.161 0.022 18 0 "[ . 1 . 2]" 1
978 1 82 LEU HG 1 83 ILE H 2.700 . 3.600 2.608 2.357 3.116 . 0 0 "[ . 1 . 2]" 1
979 1 83 ILE H 1 83 ILE HB 2.600 . 3.500 2.900 2.653 3.258 . 0 0 "[ . 1 . 2]" 1
980 1 83 ILE H 1 83 ILE MD 4.000 . 6.000 4.175 3.780 4.304 . 0 0 "[ . 1 . 2]" 1
981 1 83 ILE H 1 83 ILE HG12 4.000 . 6.000 3.728 2.451 4.624 . 0 0 "[ . 1 . 2]" 1
982 1 83 ILE H 1 84 PRO HD2 3.500 . 5.000 4.931 4.837 4.992 . 0 0 "[ . 1 . 2]" 1
983 1 83 ILE H 1 90 ASN HB2 3.800 . 5.600 3.625 3.002 4.948 . 0 0 "[ . 1 . 2]" 1
984 1 83 ILE H 1 90 ASN HB3 3.600 . 5.200 4.437 3.733 5.190 . 0 0 "[ . 1 . 2]" 1
985 1 83 ILE H 1 90 ASN H 2.900 . 3.900 3.020 2.865 3.307 . 0 0 "[ . 1 . 2]" 1
986 1 83 ILE H 1 91 GLU HA 3.200 . 4.500 4.175 3.599 4.553 0.053 19 0 "[ . 1 . 2]" 1
987 1 84 PRO HA 1 85 VAL H 2.100 . 2.700 2.247 2.221 2.265 . 0 0 "[ . 1 . 2]" 1
988 1 84 PRO HB2 1 85 VAL H 2.800 . 6.000 3.561 3.335 3.979 . 0 0 "[ . 1 . 2]" 1
989 1 84 PRO HD2 1 85 VAL H 3.500 . 6.000 5.545 5.285 5.635 . 0 0 "[ . 1 . 2]" 1
990 1 84 PRO HG2 1 85 VAL H 2.600 . 6.000 4.942 4.793 5.744 . 0 0 "[ . 1 . 2]" 1
991 1 85 VAL H 1 85 VAL HA 2.600 . 3.400 2.988 2.975 3.003 . 0 0 "[ . 1 . 2]" 1
992 1 85 VAL H 1 85 VAL HB 3.200 . 4.400 3.903 3.675 3.948 . 0 0 "[ . 1 . 2]" 1
993 1 85 VAL H 1 85 VAL MG1 2.600 . 3.400 2.818 2.399 3.008 . 0 0 "[ . 1 . 2]" 1
994 1 85 VAL H 1 85 VAL MG2 2.300 . 2.900 2.185 1.946 2.303 . 0 0 "[ . 1 . 2]" 1
995 1 85 VAL H 1 86 ALA HA 4.400 . 6.800 5.188 5.034 5.430 . 0 0 "[ . 1 . 2]" 1
996 1 85 VAL H 1 86 ALA H 4.000 . 4.800 4.432 4.396 4.479 . 0 0 "[ . 1 . 2]" 1
997 1 85 VAL H 1 88 GLY HA3 3.800 . 5.600 4.691 4.432 5.020 . 0 0 "[ . 1 . 2]" 1
998 1 85 VAL H 1 88 GLY H 3.000 . 3.800 3.235 3.039 3.475 . 0 0 "[ . 1 . 2]" 1
999 1 85 VAL H 1 89 MET HA 2.600 . 3.400 2.610 2.227 2.816 . 0 0 "[ . 1 . 2]" 1
1000 1 85 VAL H 1 90 ASN H 3.000 . 4.100 4.000 3.285 4.144 0.044 10 0 "[ . 1 . 2]" 1
1001 1 85 VAL HA 1 86 ALA H 2.300 . 3.000 2.604 2.474 2.680 . 0 0 "[ . 1 . 2]" 1
1002 1 85 VAL HB 1 86 ALA H 2.300 . 3.000 2.173 1.973 2.455 . 0 0 "[ . 1 . 2]" 1
1003 1 85 VAL MG1 1 86 ALA H 4.000 . 6.000 3.723 3.593 3.853 . 0 0 "[ . 1 . 2]" 1
1004 1 85 VAL MG2 1 86 ALA H 4.000 . 6.000 2.916 2.681 3.196 . 0 0 "[ . 1 . 2]" 1
1005 1 86 ALA H 1 86 ALA HA 2.500 . 3.300 2.851 2.810 2.898 . 0 0 "[ . 1 . 2]" 1
1006 1 86 ALA H 1 86 ALA MB 2.200 . 2.800 2.238 2.215 2.267 . 0 0 "[ . 1 . 2]" 1
1007 1 86 ALA H 1 87 GLU HB2 4.800 . 7.600 5.319 4.917 5.483 . 0 0 "[ . 1 . 2]" 1
1008 1 86 ALA H 1 87 GLU HG2 4.100 . 6.200 4.748 4.427 5.040 . 0 0 "[ . 1 . 2]" 1
1009 1 86 ALA H 1 87 GLU H 2.900 . 3.900 2.767 2.575 2.918 . 0 0 "[ . 1 . 2]" 1
1010 1 85 VAL HA 1 87 GLU H 3.400 . 4.900 4.712 4.374 4.900 0.000 4 0 "[ . 1 . 2]" 1
1011 1 85 VAL HB 1 87 GLU H 2.900 . 4.000 3.345 3.073 3.530 . 0 0 "[ . 1 . 2]" 1
1012 1 85 VAL MG1 1 87 GLU H 4.000 . 6.000 4.578 4.423 4.736 . 0 0 "[ . 1 . 2]" 1
1013 1 85 VAL MG2 1 87 GLU H 4.000 . 6.000 2.045 1.741 2.304 0.259 3 0 "[ . 1 . 2]" 1
1014 1 86 ALA HA 1 87 GLU H 2.400 . 6.000 3.576 3.546 3.593 . 0 0 "[ . 1 . 2]" 1
1015 1 86 ALA MB 1 87 GLU H 2.100 . 2.700 2.437 2.306 2.601 . 0 0 "[ . 1 . 2]" 1
1016 1 87 GLU H 1 87 GLU HA 2.300 . 2.900 2.851 2.843 2.857 . 0 0 "[ . 1 . 2]" 1
1017 1 87 GLU H 1 87 GLU HB2 2.400 . 3.100 2.880 2.529 2.959 . 0 0 "[ . 1 . 2]" 1
1018 1 87 GLU H 1 87 GLU HB3 2.500 . 6.000 3.575 3.553 3.628 . 0 0 "[ . 1 . 2]" 1
1019 1 87 GLU H 1 87 GLU HG2 2.500 . 3.300 2.337 2.225 2.481 . 0 0 "[ . 1 . 2]" 1
1020 1 87 GLU H 1 88 GLY H 2.500 . 3.300 2.627 2.576 2.677 . 0 0 "[ . 1 . 2]" 1
1021 1 84 PRO HA 1 88 GLY H 3.600 . 5.300 5.242 5.085 5.352 0.052 1 0 "[ . 1 . 2]" 1
1022 1 85 VAL HA 1 88 GLY H 4.000 . 6.000 4.572 4.395 4.710 . 0 0 "[ . 1 . 2]" 1
1023 1 85 VAL HB 1 88 GLY H 3.800 . 5.600 4.093 3.893 4.388 . 0 0 "[ . 1 . 2]" 1
1024 1 85 VAL MG1 1 88 GLY H 3.400 . 4.800 4.336 4.241 4.402 . 0 0 "[ . 1 . 2]" 1
1025 1 85 VAL MG2 1 88 GLY H 2.300 . 3.000 1.846 1.716 2.166 . 0 0 "[ . 1 . 2]" 1
1026 1 86 ALA HA 1 88 GLY H 3.300 . 4.700 4.070 3.761 4.253 . 0 0 "[ . 1 . 2]" 1
1027 1 86 ALA MB 1 88 GLY H 2.900 . 6.000 4.279 4.105 4.407 . 0 0 "[ . 1 . 2]" 1
1028 1 87 GLU HA 1 88 GLY H 3.000 2.200 3.800 3.498 3.442 3.533 . 0 0 "[ . 1 . 2]" 1
1029 1 87 GLU HB2 1 88 GLY H 3.000 . 4.100 2.858 2.747 3.084 . 0 0 "[ . 1 . 2]" 1
1030 1 87 GLU HB3 1 88 GLY H 3.200 . 4.500 4.076 3.936 4.231 . 0 0 "[ . 1 . 2]" 1
1031 1 87 GLU HG2 1 88 GLY H 3.200 . 4.400 4.454 4.408 4.499 0.099 13 0 "[ . 1 . 2]" 1
1032 1 88 GLY H 1 88 GLY HA2 2.300 . 3.000 2.700 2.616 2.758 . 0 0 "[ . 1 . 2]" 1
1033 1 88 GLY H 1 88 GLY HA3 2.400 . 3.100 2.953 2.921 2.990 . 0 0 "[ . 1 . 2]" 1
1034 1 88 GLY H 1 89 MET HA 4.900 . 7.900 4.359 4.283 4.488 . 0 0 "[ . 1 . 2]" 1
1035 1 88 GLY H 1 89 MET HG2 3.900 . 5.800 5.344 5.162 5.715 . 0 0 "[ . 1 . 2]" 1
1036 1 82 LEU MD1 1 89 MET H 4.000 . 6.000 4.946 4.699 5.150 . 0 0 "[ . 1 . 2]" 1
1037 1 85 VAL MG1 1 89 MET H 4.900 . 7.900 5.083 4.924 5.214 . 0 0 "[ . 1 . 2]" 1
1038 1 85 VAL MG2 1 89 MET H 3.000 . 4.100 3.327 3.092 3.520 . 0 0 "[ . 1 . 2]" 1
1039 1 88 GLY HA2 1 89 MET H 2.300 . 6.000 3.497 3.443 3.556 . 0 0 "[ . 1 . 2]" 1
1040 1 88 GLY HA3 1 89 MET H 2.200 . 2.800 2.294 2.227 2.400 . 0 0 "[ . 1 . 2]" 1
1041 1 88 GLY H 1 89 MET H 3.000 . 4.100 3.561 3.291 3.753 . 0 0 "[ . 1 . 2]" 1
1042 1 89 MET H 1 89 MET HA 2.600 . 3.500 2.958 2.933 2.980 . 0 0 "[ . 1 . 2]" 1
1043 1 89 MET H 1 89 MET HB2 2.500 . 3.700 3.002 2.718 3.874 0.174 9 0 "[ . 1 . 2]" 1
1044 1 89 MET H 1 89 MET HB3 2.800 . 6.000 3.909 3.376 3.996 . 0 0 "[ . 1 . 2]" 1
1045 1 89 MET H 1 89 MET HG2 4.100 . 6.200 3.728 2.265 4.286 . 0 0 "[ . 1 . 2]" 1
1046 1 89 MET H 1 89 MET HG3 2.600 . 3.500 2.957 2.686 3.499 . 0 0 "[ . 1 . 2]" 1
1047 1 89 MET H 1 90 ASN H 3.200 . 4.500 4.205 4.031 4.308 . 0 0 "[ . 1 . 2]" 1
1048 1 82 LEU MD1 1 90 ASN H 3.400 . 4.900 3.162 2.628 3.496 . 0 0 "[ . 1 . 2]" 1
1049 1 85 VAL HA 1 90 ASN H 3.700 . 6.000 5.852 5.584 6.011 0.011 14 0 "[ . 1 . 2]" 1
1050 1 85 VAL MG1 1 90 ASN H 2.900 . 3.900 2.811 2.571 2.977 . 0 0 "[ . 1 . 2]" 1
1051 1 85 VAL MG2 1 90 ASN H 2.900 . 3.900 3.156 2.818 3.398 . 0 0 "[ . 1 . 2]" 1
1052 1 89 MET HA 1 90 ASN H 2.300 . 3.000 2.201 2.172 2.229 . 0 0 "[ . 1 . 2]" 1
1053 1 89 MET HB3 1 90 ASN H 2.900 . 4.000 3.407 3.181 4.039 0.039 9 0 "[ . 1 . 2]" 1
1054 1 89 MET HG2 1 90 ASN H 3.400 . 4.800 4.633 4.192 4.914 0.114 9 0 "[ . 1 . 2]" 1
1055 1 90 ASN H 1 90 ASN HA 2.600 . 3.400 2.957 2.946 2.968 . 0 0 "[ . 1 . 2]" 1
1056 1 90 ASN H 1 90 ASN HB2 2.700 . 3.600 2.356 2.172 3.617 0.017 17 0 "[ . 1 . 2]" 1
1057 1 90 ASN H 1 90 ASN HB3 2.900 . 3.900 3.481 2.920 3.597 . 0 0 "[ . 1 . 2]" 1
1058 1 90 ASN H 1 90 ASN HD21 4.000 . 6.000 3.700 2.402 4.496 . 0 0 "[ . 1 . 2]" 1
1059 1 90 ASN H 1 91 GLU H 3.500 . 5.000 4.276 4.145 4.490 . 0 0 "[ . 1 . 2]" 1
1060 1 85 VAL MG1 1 90 ASN HD21 2.900 . 4.000 1.858 1.726 2.440 0.074 19 0 "[ . 1 . 2]" 1
1061 1 85 VAL MG1 1 90 ASN HD22 3.000 . 4.100 2.514 2.077 3.031 . 0 0 "[ . 1 . 2]" 1
1062 1 85 VAL MG2 1 90 ASN HD21 3.000 . 4.100 3.012 2.658 3.966 . 0 0 "[ . 1 . 2]" 1
1063 1 85 VAL MG2 1 90 ASN HD22 3.100 . 4.300 2.773 2.313 3.862 . 0 0 "[ . 1 . 2]" 1
1064 1 90 ASN HA 1 90 ASN HD21 3.300 . 4.700 4.249 4.045 4.394 . 0 0 "[ . 1 . 2]" 1
1065 1 90 ASN HA 1 90 ASN HD22 3.700 . 5.400 4.444 4.267 5.156 . 0 0 "[ . 1 . 2]" 1
1066 1 90 ASN HB2 1 90 ASN HD21 3.200 . 4.500 2.403 2.246 3.480 . 0 0 "[ . 1 . 2]" 1
1067 1 90 ASN HB2 1 90 ASN HD22 3.500 . 5.000 3.577 3.509 4.054 . 0 0 "[ . 1 . 2]" 1
1068 1 90 ASN HB3 1 90 ASN HD21 3.200 . 4.400 3.059 2.236 3.352 . 0 0 "[ . 1 . 2]" 1
1069 1 90 ASN HB3 1 90 ASN HD22 3.000 . 4.100 3.855 3.480 3.990 . 0 0 "[ . 1 . 2]" 1
1070 1 82 LEU MD1 1 91 GLU H 3.200 . 4.500 3.669 3.402 4.082 . 0 0 "[ . 1 . 2]" 1
1071 1 89 MET HA 1 91 GLU H 4.100 . 6.200 5.517 5.274 5.931 . 0 0 "[ . 1 . 2]" 1
1072 1 90 ASN HA 1 91 GLU H 2.200 . 2.800 2.201 2.158 2.267 . 0 0 "[ . 1 . 2]" 1
1073 1 90 ASN HB3 1 91 GLU H 3.100 . 4.300 3.929 3.538 4.386 0.086 17 0 "[ . 1 . 2]" 1
1074 1 90 ASN HD21 1 91 GLU H 4.600 . 7.300 6.242 5.943 6.356 . 0 0 "[ . 1 . 2]" 1
1075 1 91 GLU H 1 91 GLU HA 2.900 . 4.000 2.914 2.896 2.939 . 0 0 "[ . 1 . 2]" 1
1076 1 91 GLU H 1 91 GLU HB2 3.400 2.700 4.100 3.535 3.070 3.665 . 0 0 "[ . 1 . 2]" 1
1077 1 91 GLU H 1 91 GLU HG2 3.500 . 5.100 2.784 2.282 3.933 . 0 0 "[ . 1 . 2]" 1
1078 1 91 GLU H 1 91 GLU HG3 4.100 . 6.200 3.943 3.677 4.482 . 0 0 "[ . 1 . 2]" 1
1079 1 91 GLU H 1 92 ILE HG12 3.800 . 5.600 4.959 4.028 5.638 0.038 3 0 "[ . 1 . 2]" 1
1080 1 91 GLU H 1 92 ILE H 3.300 . 4.600 4.498 4.384 4.548 . 0 0 "[ . 1 . 2]" 1
1081 1 91 GLU H 1 93 TRP HE1 4.600 . 7.200 5.734 5.146 6.904 . 0 0 "[ . 1 . 2]" 1
1082 1 82 LEU HA 1 92 ILE H 3.200 . 4.500 3.102 2.658 3.405 . 0 0 "[ . 1 . 2]" 1
1083 1 82 LEU HB2 1 92 ILE H 3.300 . 4.700 4.162 3.533 4.517 . 0 0 "[ . 1 . 2]" 1
1084 1 82 LEU MD1 1 92 ILE H 2.900 . 4.000 3.519 3.257 3.951 . 0 0 "[ . 1 . 2]" 1
1085 1 91 GLU HA 1 92 ILE H 2.400 . 3.100 2.162 2.115 2.198 . 0 0 "[ . 1 . 2]" 1
1086 1 91 GLU HB2 1 92 ILE H 2.900 . 4.000 3.625 3.267 4.129 0.129 15 0 "[ . 1 . 2]" 1
1087 1 91 GLU HG2 1 92 ILE H 4.000 2.900 5.100 4.583 4.118 4.831 . 0 0 "[ . 1 . 2]" 1
1088 1 91 GLU HG3 1 92 ILE H 3.000 . 4.100 3.906 3.058 4.159 0.059 18 0 "[ . 1 . 2]" 1
1089 1 92 ILE H 1 92 ILE HB 2.700 . 3.600 2.677 2.524 2.807 . 0 0 "[ . 1 . 2]" 1
1090 1 92 ILE H 1 92 ILE MD 3.700 . 5.400 4.068 3.415 4.473 . 0 0 "[ . 1 . 2]" 1
1091 1 92 ILE H 1 92 ILE HG12 3.400 . 4.800 3.670 2.697 4.452 . 0 0 "[ . 1 . 2]" 1
1092 1 92 ILE H 1 92 ILE HG13 3.200 . 4.500 3.623 2.811 4.563 0.063 11 0 "[ . 1 . 2]" 1
1093 1 92 ILE H 1 92 ILE MG 3.500 2.400 4.600 3.856 3.803 3.953 . 0 0 "[ . 1 . 2]" 1
1094 1 92 ILE H 1 93 TRP HE1 4.000 . 6.000 4.274 2.909 5.734 . 0 0 "[ . 1 . 2]" 1
1095 1 92 ILE H 1 93 TRP HE3 4.000 . 6.500 6.193 3.602 6.694 0.194 1 0 "[ . 1 . 2]" 1
1096 1 90 ASN HB2 1 91 GLU H 3.200 . 4.500 4.487 3.704 4.615 0.115 13 0 "[ . 1 . 2]" 1
1097 1 92 ILE HA 1 93 TRP H 2.600 . 3.400 2.218 2.127 2.302 . 0 0 "[ . 1 . 2]" 1
1098 1 92 ILE HB 1 93 TRP H 3.400 . 4.800 4.114 3.754 4.378 . 0 0 "[ . 1 . 2]" 1
1099 1 92 ILE MD 1 93 TRP H 3.700 . 5.400 4.248 3.391 4.985 . 0 0 "[ . 1 . 2]" 1
1100 1 92 ILE HG12 1 93 TRP H 3.500 . 5.000 4.533 4.002 5.068 0.068 17 0 "[ . 1 . 2]" 1
1101 1 92 ILE HG13 1 93 TRP H 4.500 . 7.000 5.143 4.791 5.688 . 0 0 "[ . 1 . 2]" 1
1102 1 92 ILE MG 1 93 TRP H 2.700 . 3.600 2.449 2.004 3.167 . 0 0 "[ . 1 . 2]" 1
1103 1 92 ILE H 1 93 TRP H 3.900 . 5.800 4.337 3.997 4.525 . 0 0 "[ . 1 . 2]" 1
1104 1 93 TRP H 1 93 TRP HB2 3.000 . 4.100 2.976 2.643 3.500 . 0 0 "[ . 1 . 2]" 1
1105 1 93 TRP H 1 93 TRP HE1 4.200 . 6.400 5.014 4.639 5.410 . 0 0 "[ . 1 . 2]" 1
1106 1 93 TRP H 1 93 TRP HE3 3.800 . 5.600 4.742 1.760 5.661 0.240 14 0 "[ . 1 . 2]" 1
1107 1 93 TRP H 1 94 LEU H 3.800 . 5.600 4.165 3.885 4.463 . 0 0 "[ . 1 . 2]" 1
1108 1 80 LYS HE2 1 93 TRP HE1 3.900 . 5.800 5.248 3.080 5.938 0.138 9 0 "[ . 1 . 2]" 1
1109 1 91 GLU HB2 1 93 TRP HE1 3.300 . 4.700 2.851 1.889 4.266 0.011 11 0 "[ . 1 . 2]" 1
1110 1 91 GLU HG2 1 93 TRP HE1 3.000 . 4.100 3.881 2.785 4.273 0.173 15 0 "[ . 1 . 2]" 1
1111 1 91 GLU HG3 1 93 TRP HE1 2.800 . 3.800 2.368 1.797 3.008 0.003 17 0 "[ . 1 . 2]" 1
1112 1 93 TRP HA 1 93 TRP HE1 3.900 . 5.800 5.574 5.243 6.033 0.233 19 0 "[ . 1 . 2]" 1
1113 1 17 ILE HG12 1 94 LEU H 4.100 . 6.200 6.291 5.834 6.458 0.258 12 0 "[ . 1 . 2]" 1
1114 1 80 LYS HA 1 94 LEU H 3.500 . 5.100 4.340 3.516 4.961 . 0 0 "[ . 1 . 2]" 1
1115 1 93 TRP HA 1 94 LEU H 2.600 . 3.400 2.261 2.173 2.604 . 0 0 "[ . 1 . 2]" 1
1116 1 93 TRP HB2 1 94 LEU H 3.100 . 4.300 4.018 2.893 4.393 0.093 18 0 "[ . 1 . 2]" 1
1117 1 93 TRP HE3 1 94 LEU H 3.600 . 5.200 4.859 4.058 5.443 0.243 1 0 "[ . 1 . 2]" 1
1118 1 94 LEU H 1 94 LEU HB2 3.300 . 4.700 2.969 2.619 3.701 . 0 0 "[ . 1 . 2]" 1
1119 1 94 LEU H 1 94 LEU HB3 2.800 . 3.800 3.550 2.957 3.822 0.022 11 0 "[ . 1 . 2]" 1
1120 1 94 LEU H 1 94 LEU MD1 3.100 . 4.300 3.540 2.077 3.848 . 0 0 "[ . 1 . 2]" 1
1121 1 94 LEU H 1 94 LEU MD2 2.700 . 3.600 2.894 2.004 3.477 . 0 0 "[ . 1 . 2]" 1
1122 1 94 LEU H 1 94 LEU HG 2.800 . 3.800 1.982 1.723 2.438 0.077 8 0 "[ . 1 . 2]" 1
1123 1 17 ILE HA 1 95 ARG H 4.800 . 7.700 5.456 4.548 6.006 . 0 0 "[ . 1 . 2]" 1
1124 1 17 ILE MD 1 95 ARG H 4.500 . 7.000 5.202 4.274 5.831 . 0 0 "[ . 1 . 2]" 1
1125 1 17 ILE HG12 1 95 ARG H 4.900 3.900 5.900 4.131 3.681 4.701 0.219 10 0 "[ . 1 . 2]" 1
1126 1 18 LYS HB2 1 95 ARG H 3.800 . 5.600 4.477 2.523 5.582 . 0 0 "[ . 1 . 2]" 1
1127 1 18 LYS HG2 1 95 ARG H 3.300 . 4.700 4.174 3.330 4.806 0.106 10 0 "[ . 1 . 2]" 1
1128 1 94 LEU HA 1 95 ARG H 2.600 . 3.400 2.301 2.195 2.433 . 0 0 "[ . 1 . 2]" 1
1129 1 94 LEU HB3 1 95 ARG H 3.700 . 5.400 3.203 2.616 4.017 . 0 0 "[ . 1 . 2]" 1
1130 1 94 LEU MD1 1 95 ARG H 4.000 . 6.000 4.668 3.443 5.230 . 0 0 "[ . 1 . 2]" 1
1131 1 94 LEU H 1 95 ARG H 3.300 . 4.700 4.589 4.444 4.658 . 0 0 "[ . 1 . 2]" 1
1132 1 95 ARG H 1 95 ARG HA 2.900 . 4.000 2.947 2.892 2.998 . 0 0 "[ . 1 . 2]" 1
1133 1 95 ARG H 1 95 ARG HB2 2.800 . 3.800 2.553 2.439 3.001 . 0 0 "[ . 1 . 2]" 1
1134 1 95 ARG H 1 95 ARG HB3 3.100 . 4.300 2.736 2.299 2.907 . 0 0 "[ . 1 . 2]" 1
1135 1 95 ARG H 1 95 ARG HD2 3.800 . 5.600 5.440 5.251 5.819 0.219 8 0 "[ . 1 . 2]" 1
1136 1 95 ARG H 1 95 ARG QH1 3.600 . 6.000 5.068 3.875 5.222 . 0 0 "[ . 1 . 2]" 1
1137 1 95 ARG H 1 95 ARG HH22 3.900 . 6.000 5.855 5.500 6.026 0.026 8 0 "[ . 1 . 2]" 1
1138 1 18 LYS HG2 1 96 CYS H 3.500 . 6.000 5.983 5.222 6.296 0.296 20 0 "[ . 1 . 2]" 1
1139 1 95 ARG HA 1 96 CYS H 2.600 . 3.400 2.315 2.219 2.379 . 0 0 "[ . 1 . 2]" 1
1140 1 95 ARG HB2 1 96 CYS H 3.000 . 4.100 4.068 3.932 4.184 0.084 17 0 "[ . 1 . 2]" 1
1141 1 95 ARG HB3 1 96 CYS H 2.900 . 3.900 3.575 3.372 3.991 0.091 16 0 "[ . 1 . 2]" 1
1142 1 95 ARG HD2 1 96 CYS H 3.200 . 6.000 3.912 3.149 4.420 . 0 0 "[ . 1 . 2]" 1
1143 1 96 CYS H 1 96 CYS HB2 3.200 . 4.500 3.341 2.798 3.814 . 0 0 "[ . 1 . 2]" 1
1144 1 96 CYS H 1 96 CYS HB3 3.100 . 4.300 3.097 2.087 3.971 . 0 0 "[ . 1 . 2]" 1
1145 1 96 CYS HA 1 97 ASP H 2.300 . 3.000 2.446 2.216 2.613 . 0 0 "[ . 1 . 2]" 1
1146 1 96 CYS HB2 1 97 ASP H 2.800 . 3.800 3.186 2.432 3.924 0.124 10 0 "[ . 1 . 2]" 1
1147 1 96 CYS HB3 1 97 ASP H 3.100 . 4.300 3.529 2.311 4.194 . 0 0 "[ . 1 . 2]" 1
1148 1 96 CYS H 1 97 ASP H 3.600 . 5.200 4.561 4.399 4.697 . 0 0 "[ . 1 . 2]" 1
1149 1 97 ASP H 1 97 ASP HB2 2.300 . 3.000 3.071 2.895 3.177 0.177 3 0 "[ . 1 . 2]" 1
1150 1 77 PHE QD 1 97 ASP H 3.600 . 5.200 3.069 1.823 4.165 0.177 3 0 "[ . 1 . 2]" 1
1151 1 77 PHE HZ 1 97 ASP H 4.000 2.400 5.600 5.681 5.296 5.809 0.209 10 0 "[ . 1 . 2]" 1
1152 1 77 PHE QE 1 97 ASP H 3.600 . 5.200 3.954 2.921 4.771 . 0 0 "[ . 1 . 2]" 1
1153 1 77 PHE QB 1 97 ASP H 3.600 . 5.200 3.767 2.642 4.542 . 0 0 "[ . 1 . 2]" 1
1154 1 97 ASP H 1 98 ASN H 2.600 . 3.300 2.022 1.750 2.405 0.050 9 0 "[ . 1 . 2]" 1
1155 1 97 ASP H 1 101 GLN H 3.900 . 6.000 5.485 4.768 6.013 0.013 3 0 "[ . 1 . 2]" 1
1156 1 97 ASP H 1 102 TYR H 4.000 . 6.000 5.175 4.485 5.674 . 0 0 "[ . 1 . 2]" 1
1157 1 96 CYS HB2 1 98 ASN H 3.000 . 6.000 4.435 2.678 5.713 . 0 0 "[ . 1 . 2]" 1
1158 1 96 CYS HB3 1 98 ASN H 3.000 . 6.000 4.867 2.759 6.077 0.077 5 0 "[ . 1 . 2]" 1
1159 1 97 ASP HA 1 98 ASN H 2.700 . 3.600 3.428 3.048 3.623 0.023 16 0 "[ . 1 . 2]" 1
1160 1 97 ASP HB2 1 98 ASN H 4.600 3.700 5.500 3.895 3.569 4.461 0.131 3 0 "[ . 1 . 2]" 1
1161 1 98 ASN H 1 98 ASN HA 2.700 . 3.600 2.890 2.790 2.950 . 0 0 "[ . 1 . 2]" 1
1162 1 98 ASN H 1 98 ASN HB2 3.100 . 4.300 3.570 2.948 4.049 . 0 0 "[ . 1 . 2]" 1
1163 1 98 ASN H 1 98 ASN HB3 3.000 . 4.100 3.822 2.825 4.093 . 0 0 "[ . 1 . 2]" 1
1164 1 98 ASN H 1 98 ASN HD22 3.700 . 5.400 4.437 3.099 5.601 0.201 3 0 "[ . 1 . 2]" 1
1165 1 98 ASN H 1 99 GLU H 3.300 . 4.700 4.343 4.228 4.420 . 0 0 "[ . 1 . 2]" 1
1166 1 98 ASN H 1 100 LYS HB2 3.400 . 6.000 5.835 5.391 6.086 0.086 17 0 "[ . 1 . 2]" 1
1167 1 98 ASN H 1 100 LYS H 3.800 . 5.600 5.137 4.703 5.450 . 0 0 "[ . 1 . 2]" 1
1168 1 98 ASN H 1 101 GLN H 3.200 . 4.500 3.934 3.452 4.274 . 0 0 "[ . 1 . 2]" 1
1169 1 98 ASN H 1 102 TYR QE 4.000 . 6.500 6.337 5.268 6.556 0.056 14 0 "[ . 1 . 2]" 1
1170 1 98 ASN H 1 102 TYR H 3.300 . 4.600 4.057 3.648 4.541 . 0 0 "[ . 1 . 2]" 1
1171 1 77 PHE QD 1 98 ASN H 3.800 . 6.000 3.343 2.576 3.932 . 0 0 "[ . 1 . 2]" 1
1172 1 77 PHE QE 1 98 ASN H 3.800 . 6.000 3.375 2.388 4.028 . 0 0 "[ . 1 . 2]" 1
1173 1 77 PHE HZ 1 98 ASN H 3.800 . 6.000 4.560 3.908 5.319 . 0 0 "[ . 1 . 2]" 1
1174 1 77 PHE QB 1 98 ASN H 3.800 . 6.000 4.127 3.667 5.313 . 0 0 "[ . 1 . 2]" 1
1175 1 98 ASN HA 1 98 ASN HD21 3.700 . 5.400 4.042 3.130 4.576 . 0 0 "[ . 1 . 2]" 1
1176 1 98 ASN HA 1 98 ASN HD22 4.000 . 6.000 4.757 4.144 5.274 . 0 0 "[ . 1 . 2]" 1
1177 1 98 ASN HB2 1 98 ASN HD21 3.300 . 4.700 2.753 2.240 3.537 . 0 0 "[ . 1 . 2]" 1
1178 1 98 ASN HB2 1 98 ASN HD22 3.600 . 5.200 3.724 3.508 4.076 . 0 0 "[ . 1 . 2]" 1
1179 1 98 ASN HB3 1 98 ASN HD21 3.100 . 4.300 3.081 2.212 3.596 . 0 0 "[ . 1 . 2]" 1
1180 1 98 ASN HB3 1 98 ASN HD22 3.500 . 5.100 3.872 3.468 4.109 . 0 0 "[ . 1 . 2]" 1
1181 1 98 ASN HA 1 99 GLU H 2.500 . 3.300 2.421 2.172 2.765 . 0 0 "[ . 1 . 2]" 1
1182 1 98 ASN HB2 1 99 GLU H 2.700 . 3.600 3.116 2.015 3.788 0.188 9 0 "[ . 1 . 2]" 1
1183 1 98 ASN HB3 1 99 GLU H 2.800 . 3.700 3.218 1.831 3.742 0.069 16 0 "[ . 1 . 2]" 1
1184 1 99 GLU H 1 99 GLU HA 2.900 . 4.000 2.866 2.771 2.921 . 0 0 "[ . 1 . 2]" 1
1185 1 99 GLU H 1 99 GLU HB2 3.000 2.200 3.800 3.527 2.861 3.643 . 0 0 "[ . 1 . 2]" 1
1186 1 99 GLU H 1 99 GLU HG3 2.600 . 3.500 2.890 1.799 3.524 0.024 9 0 "[ . 1 . 2]" 1
1187 1 99 GLU H 1 100 LYS H 3.100 . 3.800 2.617 2.387 2.916 . 0 0 "[ . 1 . 2]" 1
1188 1 99 GLU H 1 101 GLN H 3.800 . 5.600 4.248 3.930 4.592 . 0 0 "[ . 1 . 2]" 1
1189 1 77 PHE QD 1 99 GLU H 3.800 . 6.000 4.971 4.345 5.489 . 0 0 "[ . 1 . 2]" 1
1190 1 77 PHE QE 1 99 GLU H 3.800 . 6.000 3.392 2.600 3.757 . 0 0 "[ . 1 . 2]" 1
1191 1 77 PHE HZ 1 99 GLU H 3.800 . 6.000 3.135 2.449 3.585 . 0 0 "[ . 1 . 2]" 1
1192 1 98 ASN HB2 1 100 LYS H 3.200 . 4.500 3.045 2.226 4.658 0.158 17 0 "[ . 1 . 2]" 1
1193 1 98 ASN HB3 1 100 LYS H 3.200 . 4.500 3.664 2.465 4.470 . 0 0 "[ . 1 . 2]" 1
1194 1 99 GLU HA 1 100 LYS H 3.100 . 4.300 3.526 3.462 3.575 . 0 0 "[ . 1 . 2]" 1
1195 1 99 GLU HG3 1 100 LYS H 2.700 . 3.600 2.650 1.813 3.572 . 0 0 "[ . 1 . 2]" 1
1196 1 100 LYS H 1 100 LYS HA 2.500 . 3.300 2.840 2.804 2.905 . 0 0 "[ . 1 . 2]" 1
1197 1 100 LYS H 1 100 LYS HB2 2.000 . 2.500 2.566 2.431 2.641 0.141 17 0 "[ . 1 . 2]" 1
1198 1 100 LYS H 1 100 LYS HD2 3.000 . 4.100 3.149 1.829 3.761 0.071 9 0 "[ . 1 . 2]" 1
1199 1 100 LYS H 1 100 LYS HG2 3.000 . 4.200 3.541 3.273 3.897 . 0 0 "[ . 1 . 2]" 1
1200 1 100 LYS H 1 100 LYS HG3 2.800 . 3.800 2.099 1.876 2.750 . 0 0 "[ . 1 . 2]" 1
1201 1 100 LYS H 1 101 GLN H 2.500 . 3.300 2.732 2.512 2.875 . 0 0 "[ . 1 . 2]" 1
1202 1 99 GLU HA 1 101 GLN H 3.700 . 5.400 4.264 3.637 4.622 . 0 0 "[ . 1 . 2]" 1
1203 1 100 LYS HA 1 101 GLN H 3.000 . 4.100 3.544 3.452 3.581 . 0 0 "[ . 1 . 2]" 1
1204 1 100 LYS HB2 1 101 GLN H 2.400 . 3.100 2.518 2.254 3.111 0.011 9 0 "[ . 1 . 2]" 1
1205 1 100 LYS HD2 1 101 GLN H 3.100 . 4.300 4.380 4.001 4.502 0.202 6 0 "[ . 1 . 2]" 1
1206 1 100 LYS HE2 1 101 GLN H 4.700 . 7.400 6.562 5.911 7.065 . 0 0 "[ . 1 . 2]" 1
1207 1 100 LYS HG2 1 101 GLN H 3.300 . 6.000 5.050 4.803 5.436 . 0 0 "[ . 1 . 2]" 1
1208 1 100 LYS HG3 1 101 GLN H 3.300 . 4.700 4.242 3.975 4.727 0.027 13 0 "[ . 1 . 2]" 1
1209 1 101 GLN H 1 101 GLN HA 2.700 . 3.600 2.842 2.794 2.932 . 0 0 "[ . 1 . 2]" 1
1210 1 101 GLN H 1 101 GLN HB2 2.600 . 3.400 2.315 2.078 2.644 . 0 0 "[ . 1 . 2]" 1
1211 1 101 GLN H 1 101 GLN HB3 2.600 . 3.400 2.909 2.439 3.516 0.116 16 0 "[ . 1 . 2]" 1
1212 1 101 GLN H 1 101 GLN HG2 3.300 . 4.600 4.469 4.005 4.656 0.056 20 0 "[ . 1 . 2]" 1
1213 1 101 GLN H 1 101 GLN HG3 3.300 . 4.700 4.398 3.680 4.693 . 0 0 "[ . 1 . 2]" 1
1214 1 101 GLN H 1 102 TYR QD 3.200 . 6.000 5.658 5.038 5.896 . 0 0 "[ . 1 . 2]" 1
1215 1 101 GLN H 1 102 TYR H 2.700 . 3.600 2.911 2.738 3.116 . 0 0 "[ . 1 . 2]" 1
1216 1 99 GLU HA 1 102 TYR H 2.900 . 3.900 3.508 3.116 3.954 0.054 9 0 "[ . 1 . 2]" 1
1217 1 77 PHE QD 1 102 TYR H 3.500 2.200 4.800 4.303 3.018 4.934 0.134 20 0 "[ . 1 . 2]" 1
1218 1 77 PHE QB 1 102 TYR H 4.200 2.900 5.500 4.365 3.665 5.129 . 0 0 "[ . 1 . 2]" 1
1219 1 102 TYR H 1 102 TYR HB2 2.800 . 3.800 2.099 2.042 2.249 . 0 0 "[ . 1 . 2]" 1
1220 1 102 TYR H 1 102 TYR HB3 2.900 . 3.900 3.339 3.162 3.551 . 0 0 "[ . 1 . 2]" 1
1221 1 102 TYR H 1 102 TYR QE 3.200 . 6.000 5.322 4.675 5.708 . 0 0 "[ . 1 . 2]" 1
1222 1 102 TYR H 1 103 ALA MB 3.800 . 5.600 4.625 4.445 4.786 . 0 0 "[ . 1 . 2]" 1
1223 1 102 TYR H 1 103 ALA H 2.800 . 3.800 3.072 2.859 3.204 . 0 0 "[ . 1 . 2]" 1
1224 1 99 GLU HA 1 103 ALA H 3.200 . 4.500 4.285 3.529 4.682 0.182 4 0 "[ . 1 . 2]" 1
1225 1 100 LYS HA 1 103 ALA H 3.100 . 4.300 3.838 3.533 4.248 . 0 0 "[ . 1 . 2]" 1
1226 1 100 LYS HB2 1 103 ALA H 3.300 . 6.000 5.862 5.482 6.034 0.034 13 0 "[ . 1 . 2]" 1
1227 1 102 TYR HA 1 103 ALA H 4.700 . 7.500 3.565 3.442 3.593 . 0 0 "[ . 1 . 2]" 1
1228 1 102 TYR HB2 1 103 ALA H 3.100 . 4.300 3.052 2.735 3.826 . 0 0 "[ . 1 . 2]" 1
1229 1 102 TYR HB3 1 103 ALA H 3.200 . 4.500 2.622 2.255 3.374 . 0 0 "[ . 1 . 2]" 1
1230 1 103 ALA H 1 103 ALA HA 3.000 . 4.100 2.787 2.729 2.927 . 0 0 "[ . 1 . 2]" 1
1231 1 103 ALA H 1 103 ALA MB 2.300 . 3.000 2.245 2.200 2.283 . 0 0 "[ . 1 . 2]" 1
1232 1 103 ALA H 1 104 HIS H 2.800 . 3.800 2.956 2.557 3.143 . 0 0 "[ . 1 . 2]" 1
1233 1 103 ALA H 1 130 ILE HG12 4.000 . 6.500 6.065 4.809 6.599 0.099 2 0 "[ . 1 . 2]" 1
1234 1 103 ALA H 1 131 LEU MD1 4.000 . 6.500 5.501 3.817 6.071 . 0 0 "[ . 1 . 2]" 1
1235 1 100 LYS HA 1 104 HIS H 3.800 . 5.600 4.884 4.343 5.402 . 0 0 "[ . 1 . 2]" 1
1236 1 103 ALA HA 1 104 HIS H 3.100 . 4.300 3.545 3.500 3.602 . 0 0 "[ . 1 . 2]" 1
1237 1 103 ALA MB 1 104 HIS H 4.000 . 6.000 2.785 2.294 3.035 . 0 0 "[ . 1 . 2]" 1
1238 1 104 HIS H 1 104 HIS HA 3.000 . 4.100 2.901 2.778 2.939 . 0 0 "[ . 1 . 2]" 1
1239 1 104 HIS H 1 104 HIS HB2 2.700 . 3.600 2.344 2.140 2.525 . 0 0 "[ . 1 . 2]" 1
1240 1 104 HIS H 1 104 HIS HB3 2.700 . 3.600 3.566 3.095 3.641 0.041 17 0 "[ . 1 . 2]" 1
1241 1 104 HIS H 1 106 MET H 3.500 . 5.000 4.176 3.771 4.615 . 0 0 "[ . 1 . 2]" 1
1242 1 102 TYR HA 1 105 TRP H 3.800 . 5.600 4.134 3.574 4.704 . 0 0 "[ . 1 . 2]" 1
1243 1 104 HIS HA 1 105 TRP H 3.500 . 5.000 3.607 3.577 3.629 . 0 0 "[ . 1 . 2]" 1
1244 1 104 HIS HB2 1 105 TRP H 2.900 . 3.900 2.375 2.154 3.165 . 0 0 "[ . 1 . 2]" 1
1245 1 105 TRP H 1 105 TRP HA 2.800 . 3.800 2.892 2.796 2.970 . 0 0 "[ . 1 . 2]" 1
1246 1 105 TRP H 1 105 TRP HB2 2.300 . 6.000 2.268 2.199 2.348 . 0 0 "[ . 1 . 2]" 1
1247 1 105 TRP H 1 105 TRP HB3 2.800 . 3.800 3.569 3.526 3.609 . 0 0 "[ . 1 . 2]" 1
1248 1 105 TRP H 1 105 TRP HE1 3.600 . 5.200 4.963 4.622 5.193 . 0 0 "[ . 1 . 2]" 1
1249 1 105 TRP H 1 106 MET HB3 4.000 . 6.300 5.312 4.330 6.369 0.069 3 0 "[ . 1 . 2]" 1
1250 1 105 TRP H 1 106 MET HG2 3.800 . 5.600 5.160 3.883 5.737 0.137 18 0 "[ . 1 . 2]" 1
1251 1 105 TRP H 1 106 MET H 2.700 . 3.600 2.729 2.430 3.121 . 0 0 "[ . 1 . 2]" 1
1252 1 105 TRP H 1 108 ALA MB 4.300 . 6.600 4.437 4.205 4.869 . 0 0 "[ . 1 . 2]" 1
1253 1 13 LEU MD2 1 105 TRP HE1 4.000 . 6.000 4.650 3.190 4.896 . 0 0 "[ . 1 . 2]" 1
1254 1 13 LEU MD1 1 105 TRP HE1 4.000 . 6.000 3.919 3.523 4.936 . 0 0 "[ . 1 . 2]" 1
1255 1 14 ALA MB 1 105 TRP HE1 4.000 . 6.000 4.693 4.140 5.012 . 0 0 "[ . 1 . 2]" 1
1256 1 14 ALA HA 1 105 TRP HE1 4.000 . 6.000 3.658 2.959 4.134 . 0 0 "[ . 1 . 2]" 1
1257 1 14 ALA H 1 105 TRP HE1 4.000 . 6.000 5.549 4.562 5.985 . 0 0 "[ . 1 . 2]" 1
1258 1 13 LEU MD2 1 105 TRP H 4.000 . 6.000 4.817 4.502 4.959 . 0 0 "[ . 1 . 2]" 1
1259 1 13 LEU MD1 1 105 TRP H 4.000 . 6.000 4.898 4.763 5.017 . 0 0 "[ . 1 . 2]" 1
1260 1 15 ASP HB3 1 105 TRP H 4.000 . 6.000 4.868 4.069 5.594 . 0 0 "[ . 1 . 2]" 1
1261 1 15 ASP HB2 1 105 TRP H 4.000 . 6.000 5.156 4.515 6.082 0.082 14 0 "[ . 1 . 2]" 1
1262 1 17 ILE MD 1 105 TRP H 4.000 . 6.000 4.794 4.236 4.936 . 0 0 "[ . 1 . 2]" 1
1263 1 17 ILE HG12 1 105 TRP H 6.000 3.800 8.000 7.746 7.268 8.059 0.059 19 0 "[ . 1 . 2]" 1
1264 1 35 CYS H 1 105 TRP HH2 5.400 . 8.000 3.695 2.055 5.688 . 0 0 "[ . 1 . 2]" 1
1265 1 37 PHE H 1 105 TRP HE1 5.400 4.000 8.000 7.651 6.865 8.065 0.065 10 0 "[ . 1 . 2]" 1
1266 1 37 PHE H 1 105 TRP HH2 5.400 4.000 8.000 7.410 4.863 8.040 0.040 19 0 "[ . 1 . 2]" 1
1267 1 102 TYR HA 1 106 MET H 3.900 . 5.800 3.378 2.628 4.201 . 0 0 "[ . 1 . 2]" 1
1268 1 105 TRP HA 1 106 MET H 2.900 . 4.000 3.593 3.465 3.641 . 0 0 "[ . 1 . 2]" 1
1269 1 105 TRP HB2 1 106 MET H 3.000 . 4.100 2.761 2.469 3.203 . 0 0 "[ . 1 . 2]" 1
1270 1 105 TRP HB3 1 106 MET H 3.200 . 4.500 3.325 2.925 3.748 . 0 0 "[ . 1 . 2]" 1
1271 1 106 MET H 1 106 MET HA 2.800 . 3.800 2.792 2.756 2.905 . 0 0 "[ . 1 . 2]" 1
1272 1 106 MET H 1 106 MET HB2 3.200 2.600 3.800 3.186 2.388 3.666 0.212 3 0 "[ . 1 . 2]" 1
1273 1 106 MET H 1 106 MET HB3 2.800 . 3.800 2.762 2.140 3.698 . 0 0 "[ . 1 . 2]" 1
1274 1 106 MET H 1 106 MET HG2 3.400 . 4.800 3.106 1.819 3.971 0.181 8 0 "[ . 1 . 2]" 1
1275 1 106 MET H 1 106 MET HG3 3.400 . 4.800 3.737 2.952 4.425 . 0 0 "[ . 1 . 2]" 1
1276 1 106 MET H 1 107 ALA H 2.800 . 3.600 2.963 2.542 3.260 . 0 0 "[ . 1 . 2]" 1
1277 1 106 MET H 1 108 ALA H 3.700 . 5.400 4.230 3.585 4.898 . 0 0 "[ . 1 . 2]" 1
1278 1 79 ILE HB 1 106 MET H 4.000 . 6.000 5.653 4.411 6.132 0.132 13 0 "[ . 1 . 2]" 1
1279 1 106 MET HB3 1 107 ALA H 3.100 . 4.300 3.538 2.966 3.994 . 0 0 "[ . 1 . 2]" 1
1280 1 106 MET HG2 1 107 ALA H 3.200 . 6.000 3.301 1.762 4.896 . 0 0 "[ . 1 . 2]" 1
1281 1 106 MET HG3 1 107 ALA H 4.300 . 6.600 3.375 1.922 5.361 0.078 18 0 "[ . 1 . 2]" 1
1282 1 107 ALA H 1 107 ALA HA 2.600 . 3.400 2.888 2.817 2.945 . 0 0 "[ . 1 . 2]" 1
1283 1 107 ALA H 1 107 ALA MB 2.300 . 2.900 2.225 2.152 2.274 . 0 0 "[ . 1 . 2]" 1
1284 1 107 ALA H 1 108 ALA HA 4.000 . 6.000 5.238 5.006 5.489 . 0 0 "[ . 1 . 2]" 1
1285 1 107 ALA H 1 108 ALA MB 3.600 . 5.200 4.225 4.007 4.412 . 0 0 "[ . 1 . 2]" 1
1286 1 107 ALA H 1 108 ALA H 2.700 . 3.400 2.596 2.331 2.908 . 0 0 "[ . 1 . 2]" 1
1287 1 13 LEU MD1 1 108 ALA H 5.000 3.000 7.000 4.262 3.312 4.551 . 0 0 "[ . 1 . 2]" 1
1288 1 13 LEU MD2 1 108 ALA H 4.500 2.300 6.500 4.489 4.049 4.763 . 0 0 "[ . 1 . 2]" 1
1289 1 13 LEU HG 1 108 ALA H 5.200 . 8.000 4.738 3.944 5.897 . 0 0 "[ . 1 . 2]" 1
1290 1 107 ALA HA 1 108 ALA H 2.800 . 3.700 3.535 3.452 3.588 . 0 0 "[ . 1 . 2]" 1
1291 1 107 ALA MB 1 108 ALA H 3.500 2.700 4.300 2.544 2.135 2.951 0.565 9 1 "[ . +1 . 2]" 1
1292 1 108 ALA H 1 108 ALA HA 2.700 . 3.600 2.833 2.765 2.933 . 0 0 "[ . 1 . 2]" 1
1293 1 108 ALA H 1 108 ALA MB 2.300 . 2.900 2.199 2.055 2.284 . 0 0 "[ . 1 . 2]" 1
1294 1 108 ALA H 1 109 CYS H 2.600 . 3.500 2.809 2.437 3.042 . 0 0 "[ . 1 . 2]" 1
1295 1 107 ALA HA 1 109 CYS H 3.300 . 4.700 4.563 4.017 4.802 0.102 5 0 "[ . 1 . 2]" 1
1296 1 107 ALA H 1 109 CYS H 3.300 . 4.600 4.239 4.006 4.588 . 0 0 "[ . 1 . 2]" 1
1297 1 108 ALA HA 1 109 CYS H 3.500 . 5.100 3.566 3.491 3.597 . 0 0 "[ . 1 . 2]" 1
1298 1 108 ALA MB 1 109 CYS H 2.600 . 3.400 2.369 2.116 2.781 . 0 0 "[ . 1 . 2]" 1
1299 1 109 CYS H 1 109 CYS HA 2.600 . 3.500 2.829 2.753 2.918 . 0 0 "[ . 1 . 2]" 1
1300 1 109 CYS H 1 109 CYS HB2 2.800 . 3.800 3.063 2.315 3.637 . 0 0 "[ . 1 . 2]" 1
1301 1 109 CYS H 1 109 CYS HB3 2.700 . 3.600 3.134 2.300 3.629 0.029 19 0 "[ . 1 . 2]" 1
1302 1 109 CYS H 1 110 ARG H 2.900 . 3.600 2.782 2.320 3.010 . 0 0 "[ . 1 . 2]" 1
1303 1 108 ALA MB 1 110 ARG H 3.600 . 5.300 4.450 4.165 4.846 . 0 0 "[ . 1 . 2]" 1
1304 1 109 CYS HA 1 110 ARG H 3.000 . 4.100 3.550 3.470 3.612 . 0 0 "[ . 1 . 2]" 1
1305 1 109 CYS HB2 1 110 ARG H 2.900 . 4.000 3.125 2.263 3.939 . 0 0 "[ . 1 . 2]" 1
1306 1 109 CYS HB3 1 110 ARG H 3.100 . 4.300 3.796 2.550 4.225 . 0 0 "[ . 1 . 2]" 1
1307 1 110 ARG H 1 110 ARG HA 2.600 . 3.500 2.875 2.811 2.945 . 0 0 "[ . 1 . 2]" 1
1308 1 110 ARG H 1 110 ARG HB2 2.300 . 2.900 2.319 2.090 2.553 . 0 0 "[ . 1 . 2]" 1
1309 1 110 ARG H 1 110 ARG HD2 3.700 . 5.400 4.767 3.900 5.435 0.035 18 0 "[ . 1 . 2]" 1
1310 1 110 ARG H 1 110 ARG HD3 4.100 . 6.200 4.942 4.029 5.910 . 0 0 "[ . 1 . 2]" 1
1311 1 110 ARG H 1 110 ARG HG2 4.000 . 6.000 3.962 2.414 4.674 . 0 0 "[ . 1 . 2]" 1
1312 1 110 ARG H 1 111 LEU H 2.700 . 3.100 2.751 2.366 2.981 . 0 0 "[ . 1 . 2]" 1
1313 1 108 ALA HA 1 111 LEU H 3.300 . 4.700 3.597 2.972 4.208 . 0 0 "[ . 1 . 2]" 1
1314 1 108 ALA MB 1 111 LEU H 4.300 . 6.600 4.733 4.082 5.265 . 0 0 "[ . 1 . 2]" 1
1315 1 110 ARG HA 1 111 LEU H 3.100 . 4.300 3.577 3.499 3.646 . 0 0 "[ . 1 . 2]" 1
1316 1 110 ARG HB2 1 111 LEU H 2.600 . 3.400 3.075 2.270 3.497 0.097 14 0 "[ . 1 . 2]" 1
1317 1 111 LEU H 1 111 LEU HA 2.700 . 3.600 2.850 2.803 2.889 . 0 0 "[ . 1 . 2]" 1
1318 1 111 LEU H 1 111 LEU HB2 3.300 2.600 4.000 3.074 2.374 3.733 0.226 17 0 "[ . 1 . 2]" 1
1319 1 111 LEU H 1 111 LEU HB3 4.000 . 5.500 2.927 2.164 3.659 . 0 0 "[ . 1 . 2]" 1
1320 1 111 LEU H 1 111 LEU MD1 2.400 . 6.000 3.401 1.516 4.366 . 0 0 "[ . 1 . 2]" 1
1321 1 111 LEU H 1 111 LEU HG 3.600 . 5.200 3.284 1.860 4.682 0.140 15 0 "[ . 1 . 2]" 1
1322 1 111 LEU H 1 113 SER H 3.300 . 4.700 4.015 3.727 4.310 . 0 0 "[ . 1 . 2]" 1
1323 1 108 ALA HA 1 112 ALA H 3.600 . 5.200 3.753 3.257 4.426 . 0 0 "[ . 1 . 2]" 1
1324 1 108 ALA MB 1 112 ALA H 4.000 2.400 5.600 4.340 4.000 4.856 . 0 0 "[ . 1 . 2]" 1
1325 1 109 CYS HA 1 112 ALA H 3.000 . 4.100 3.553 3.148 3.892 . 0 0 "[ . 1 . 2]" 1
1326 1 111 LEU HA 1 112 ALA H 3.100 . 4.300 3.532 3.466 3.584 . 0 0 "[ . 1 . 2]" 1
1327 1 111 LEU HB2 1 112 ALA H 4.000 . 6.000 3.481 2.187 4.250 . 0 0 "[ . 1 . 2]" 1
1328 1 111 LEU MD1 1 112 ALA H 4.000 . 6.000 3.753 1.962 4.790 0.038 5 0 "[ . 1 . 2]" 1
1329 1 111 LEU HG 1 112 ALA H 3.100 . 4.300 3.752 2.140 4.446 0.146 1 0 "[ . 1 . 2]" 1
1330 1 111 LEU H 1 112 ALA H 2.500 . 3.300 2.705 2.464 2.922 . 0 0 "[ . 1 . 2]" 1
1331 1 112 ALA H 1 112 ALA HA 2.600 . 3.500 2.801 2.763 2.875 . 0 0 "[ . 1 . 2]" 1
1332 1 112 ALA H 1 113 SER H 2.600 . 3.400 2.734 2.516 2.894 . 0 0 "[ . 1 . 2]" 1
1333 1 112 ALA H 1 114 LYS H 3.300 . 4.600 4.506 4.166 4.709 0.109 1 0 "[ . 1 . 2]" 1
1334 1 64 CYS H 1 113 SER H 4.000 . 6.000 5.339 4.615 5.952 . 0 0 "[ . 1 . 2]" 1
1335 1 110 ARG HA 1 113 SER H 3.400 . 4.900 3.676 3.230 4.010 . 0 0 "[ . 1 . 2]" 1
1336 1 110 ARG HB2 1 113 SER H 4.000 . 6.000 5.655 5.130 5.999 . 0 0 "[ . 1 . 2]" 1
1337 1 112 ALA HA 1 113 SER H 3.500 . 5.000 3.460 3.421 3.524 . 0 0 "[ . 1 . 2]" 1
1338 1 113 SER H 1 113 SER HA 2.800 . 3.800 2.876 2.784 2.940 . 0 0 "[ . 1 . 2]" 1
1339 1 113 SER H 1 113 SER HB2 2.500 . 3.300 2.524 2.267 3.470 0.170 20 0 "[ . 1 . 2]" 1
1340 1 113 SER H 1 113 SER HB3 2.600 . 3.400 2.715 2.146 3.529 0.129 14 0 "[ . 1 . 2]" 1
1341 1 113 SER H 1 114 LYS HG2 3.200 . 4.500 4.222 3.729 4.602 0.102 12 0 "[ . 1 . 2]" 1
1342 1 113 SER H 1 114 LYS H 2.600 . 3.300 2.684 2.391 2.991 . 0 0 "[ . 1 . 2]" 1
1343 1 111 LEU HA 1 114 LYS H 3.400 . 4.900 3.097 2.534 3.600 . 0 0 "[ . 1 . 2]" 1
1344 1 113 SER HA 1 114 LYS H 3.400 . 4.800 3.586 3.518 3.637 . 0 0 "[ . 1 . 2]" 1
1345 1 113 SER HB2 1 114 LYS H 2.900 . 4.000 3.715 2.306 4.012 0.012 15 0 "[ . 1 . 2]" 1
1346 1 113 SER HB3 1 114 LYS H 3.000 . 4.100 2.698 2.267 3.692 . 0 0 "[ . 1 . 2]" 1
1347 1 114 LYS H 1 114 LYS HA 2.600 . 3.500 2.899 2.864 2.968 . 0 0 "[ . 1 . 2]" 1
1348 1 114 LYS H 1 114 LYS HB2 2.700 . 3.600 3.549 2.760 3.693 0.093 15 0 "[ . 1 . 2]" 1
1349 1 114 LYS H 1 114 LYS HB3 3.000 2.200 3.800 2.871 2.334 3.601 . 0 0 "[ . 1 . 2]" 1
1350 1 114 LYS H 1 114 LYS HD2 3.000 . 6.000 4.420 3.620 4.986 . 0 0 "[ . 1 . 2]" 1
1351 1 114 LYS H 1 114 LYS HE2 3.400 . 4.900 4.406 3.578 5.102 0.202 5 0 "[ . 1 . 2]" 1
1352 1 114 LYS H 1 114 LYS HG2 2.300 . 2.900 2.158 1.692 2.730 0.008 1 0 "[ . 1 . 2]" 1
1353 1 114 LYS H 1 115 GLY HA2 4.000 2.700 5.300 4.999 4.686 5.217 . 0 0 "[ . 1 . 2]" 1
1354 1 114 LYS H 1 115 GLY H 2.400 . 3.100 2.621 2.347 2.873 . 0 0 "[ . 1 . 2]" 1
1355 1 62 ARG HA 1 115 GLY H 4.000 . 6.500 5.426 4.187 6.324 . 0 0 "[ . 1 . 2]" 1
1356 1 62 ARG HD2 1 115 GLY H 4.000 . 6.500 5.552 4.588 6.519 0.019 18 0 "[ . 1 . 2]" 1
1357 1 64 CYS H 1 115 GLY H 4.000 . 6.500 6.451 5.769 6.692 0.192 18 0 "[ . 1 . 2]" 1
1358 1 114 LYS HA 1 115 GLY H 2.500 . 6.000 3.305 3.174 3.454 . 0 0 "[ . 1 . 2]" 1
1359 1 114 LYS HB2 1 115 GLY H 3.500 . 5.100 4.137 3.106 4.513 . 0 0 "[ . 1 . 2]" 1
1360 1 114 LYS HB3 1 115 GLY H 3.500 . 5.100 4.405 4.204 4.596 . 0 0 "[ . 1 . 2]" 1
1361 1 114 LYS HD2 1 115 GLY H 3.900 . 7.000 5.551 5.104 6.166 . 0 0 "[ . 1 . 2]" 1
1362 1 114 LYS HG2 1 115 GLY H 2.800 . 6.000 3.838 3.031 4.671 . 0 0 "[ . 1 . 2]" 1
1363 1 115 GLY H 1 115 GLY HA2 2.500 . 3.300 2.402 2.340 2.545 . 0 0 "[ . 1 . 2]" 1
1364 1 115 GLY H 1 115 GLY HA3 2.500 . 3.300 2.949 2.821 3.014 . 0 0 "[ . 1 . 2]" 1
1365 1 115 GLY H 1 116 LYS H 2.500 . 3.300 2.821 2.429 3.213 . 0 0 "[ . 1 . 2]" 1
1366 1 111 LEU HA 1 116 LYS H 4.000 . 6.200 5.313 4.178 6.139 . 0 0 "[ . 1 . 2]" 1
1367 1 114 LYS HB2 1 116 LYS H 4.700 . 7.500 3.706 2.520 4.568 . 0 0 "[ . 1 . 2]" 1
1368 1 114 LYS H 1 116 LYS H 3.000 . 4.200 4.105 3.765 4.313 0.113 15 0 "[ . 1 . 2]" 1
1369 1 115 GLY HA2 1 116 LYS H 2.900 . 4.000 3.378 2.884 3.566 . 0 0 "[ . 1 . 2]" 1
1370 1 116 LYS H 1 116 LYS HA 2.800 . 3.800 2.974 2.906 3.004 . 0 0 "[ . 1 . 2]" 1
1371 1 116 LYS H 1 116 LYS HB2 2.700 . 3.600 3.044 2.134 3.617 0.017 6 0 "[ . 1 . 2]" 1
1372 1 116 LYS H 1 116 LYS HD2 2.500 . 6.000 5.562 5.007 6.044 0.044 10 0 "[ . 1 . 2]" 1
1373 1 116 LYS H 1 116 LYS HE2 4.400 . 6.800 6.130 4.011 6.940 0.140 3 0 "[ . 1 . 2]" 1
1374 1 116 LYS H 1 116 LYS HG2 2.500 . 6.000 4.509 3.755 4.899 . 0 0 "[ . 1 . 2]" 1
1375 1 116 LYS H 1 117 THR H 3.300 . 4.600 4.509 4.414 4.634 0.034 16 0 "[ . 1 . 2]" 1
1376 1 116 LYS HB2 1 117 THR H 2.800 . 3.800 3.736 2.859 4.080 0.280 5 0 "[ . 1 . 2]" 1
1377 1 116 LYS HD2 1 117 THR H 2.900 . 3.900 2.256 1.793 3.987 0.107 17 0 "[ . 1 . 2]" 1
1378 1 116 LYS HG2 1 117 THR H 2.800 . 3.800 3.391 1.782 3.840 0.040 6 0 "[ . 1 . 2]" 1
1379 1 117 THR H 1 117 THR HB 2.400 . 3.100 2.779 2.470 2.977 . 0 0 "[ . 1 . 2]" 1
1380 1 117 THR H 1 117 THR HA 2.900 . 4.000 2.979 2.902 3.003 . 0 0 "[ . 1 . 2]" 1
1381 1 117 THR H 1 117 THR MG 2.500 . 6.000 3.707 1.904 4.006 . 0 0 "[ . 1 . 2]" 1
1382 1 13 LEU HB2 1 117 THR H 4.000 . 7.000 6.968 6.264 7.119 0.119 7 0 "[ . 1 . 2]" 1
1383 1 13 LEU HB2 1 119 ALA H 4.000 . 6.500 6.321 5.618 6.691 0.191 10 0 "[ . 1 . 2]" 1
1384 1 13 LEU HB2 1 120 ASP H 4.000 . 8.000 7.950 7.414 8.190 0.190 6 0 "[ . 1 . 2]" 1
1385 1 117 THR HA 1 118 MET H 4.000 . 6.000 2.544 2.129 2.820 . 0 0 "[ . 1 . 2]" 1
1386 1 117 THR MG 1 118 MET H 3.300 . 4.600 1.948 1.588 2.859 0.412 9 0 "[ . 1 . 2]" 1
1387 1 118 MET H 1 118 MET HB2 3.300 . 4.700 3.362 2.510 3.977 . 0 0 "[ . 1 . 2]" 1
1388 1 118 MET H 1 118 MET HB3 3.300 . 4.700 3.213 2.445 4.126 . 0 0 "[ . 1 . 2]" 1
1389 1 118 MET H 1 118 MET HG2 3.300 . 4.700 3.837 2.144 5.019 0.319 6 0 "[ . 1 . 2]" 1
1390 1 118 MET H 1 118 MET HG3 3.500 . 5.000 3.822 2.010 5.146 0.146 4 0 "[ . 1 . 2]" 1
1391 1 117 THR MG 1 119 ALA H 4.000 . 6.000 3.912 1.714 4.865 0.286 3 0 "[ . 1 . 2]" 1
1392 1 118 MET HA 1 119 ALA H 3.100 . 4.300 2.983 2.342 3.499 . 0 0 "[ . 1 . 2]" 1
1393 1 119 ALA H 1 119 ALA HA 2.700 . 3.600 2.891 2.829 2.975 . 0 0 "[ . 1 . 2]" 1
1394 1 119 ALA H 1 119 ALA MB 2.200 . 2.800 2.246 2.130 2.347 . 0 0 "[ . 1 . 2]" 1
1395 1 119 ALA H 1 120 ASP H 2.500 . 3.300 2.594 2.306 2.923 . 0 0 "[ . 1 . 2]" 1
1396 1 118 MET HA 1 120 ASP H 3.500 2.200 4.800 3.454 2.867 4.605 . 0 0 "[ . 1 . 2]" 1
1397 1 119 ALA HA 1 120 ASP H 2.900 . 4.000 3.401 3.149 3.582 . 0 0 "[ . 1 . 2]" 1
1398 1 119 ALA MB 1 120 ASP H 2.600 . 3.400 2.846 2.060 3.323 . 0 0 "[ . 1 . 2]" 1
1399 1 120 ASP H 1 120 ASP HA 2.800 . 3.800 2.635 2.333 2.977 . 0 0 "[ . 1 . 2]" 1
1400 1 120 ASP H 1 120 ASP HB2 2.500 . 3.300 2.786 2.057 3.458 0.158 6 0 "[ . 1 . 2]" 1
1401 1 120 ASP H 1 120 ASP HB3 2.500 . 6.000 3.439 2.737 4.185 . 0 0 "[ . 1 . 2]" 1
1402 1 121 SER HA 1 122 SER H 3.400 . 4.800 3.538 3.423 3.604 . 0 0 "[ . 1 . 2]" 1
1403 1 122 SER H 1 122 SER HA 2.800 . 3.800 2.912 2.778 2.954 . 0 0 "[ . 1 . 2]" 1
1404 1 122 SER H 1 122 SER HB2 2.500 . 3.300 2.667 2.155 3.484 0.184 20 0 "[ . 1 . 2]" 1
1405 1 122 SER H 1 122 SER HB3 2.900 . 4.000 2.918 2.086 3.671 . 0 0 "[ . 1 . 2]" 1
1406 1 122 SER H 1 123 TYR H 2.900 . 3.900 2.528 2.302 3.074 . 0 0 "[ . 1 . 2]" 1
1407 1 121 SER HA 1 123 TYR H 3.400 . 4.800 4.523 3.887 4.897 0.097 17 0 "[ . 1 . 2]" 1
1408 1 122 SER HA 1 123 TYR H 3.300 . 4.600 3.520 3.442 3.619 . 0 0 "[ . 1 . 2]" 1
1409 1 123 TYR H 1 123 TYR HA 2.700 . 3.600 2.795 2.749 2.906 . 0 0 "[ . 1 . 2]" 1
1410 1 123 TYR H 1 123 TYR HB2 2.200 . 3.800 2.835 2.259 3.533 . 0 0 "[ . 1 . 2]" 1
1411 1 123 TYR H 1 123 TYR HD1 3.900 2.900 4.900 4.018 2.114 5.107 0.786 19 3 "[ . -1* . +2]" 1
1412 1 123 TYR H 1 124 ASN HB2 3.100 . 6.000 5.071 4.606 5.374 . 0 0 "[ . 1 . 2]" 1
1413 1 123 TYR H 1 124 ASN H . . 3.500 2.919 2.489 3.231 . 0 0 "[ . 1 . 2]" 1
1414 1 123 TYR H 1 125 LEU H 3.400 . 4.900 4.573 4.161 4.953 0.053 15 0 "[ . 1 . 2]" 1
1415 1 123 TYR HA 1 124 ASN H 3.000 . 4.100 3.543 3.462 3.589 . 0 0 "[ . 1 . 2]" 1
1416 1 123 TYR HB2 1 124 ASN H 4.000 . 6.000 3.833 3.025 4.238 . 0 0 "[ . 1 . 2]" 1
1417 1 123 TYR HD1 1 124 ASN H 2.700 . 6.000 4.315 1.867 5.732 . 0 0 "[ . 1 . 2]" 1
1418 1 124 ASN H 1 124 ASN HA 2.600 . 3.400 2.823 2.752 2.938 . 0 0 "[ . 1 . 2]" 1
1419 1 124 ASN H 1 124 ASN HB2 2.400 . 3.100 2.505 2.352 2.744 . 0 0 "[ . 1 . 2]" 1
1420 1 124 ASN H 1 124 ASN HB3 2.300 . 6.000 3.619 3.601 3.653 . 0 0 "[ . 1 . 2]" 1
1421 1 124 ASN H 1 124 ASN HD21 3.200 . 4.500 3.681 1.993 4.472 . 0 0 "[ . 1 . 2]" 1
1422 1 124 ASN H 1 125 LEU H 2.500 . 3.300 2.861 2.478 3.072 . 0 0 "[ . 1 . 2]" 1
1423 1 124 ASN H 1 127 VAL MG1 3.600 . 6.000 4.562 3.929 4.998 . 0 0 "[ . 1 . 2]" 1
1424 1 124 ASN H 1 127 VAL H 4.400 . 6.800 5.102 4.869 5.495 . 0 0 "[ . 1 . 2]" 1
1425 1 124 ASN HA 1 124 ASN HD21 4.600 . 7.300 3.509 1.930 4.496 . 0 0 "[ . 1 . 2]" 1
1426 1 124 ASN HB2 1 124 ASN HD21 3.000 . 4.100 2.912 2.253 3.619 . 0 0 "[ . 1 . 2]" 1
1427 1 124 ASN HB3 1 124 ASN HD21 3.000 . 4.100 2.866 2.286 3.558 . 0 0 "[ . 1 . 2]" 1
1428 1 124 ASN H 1 124 ASN HD22 3.700 . 5.400 4.063 3.276 4.730 . 0 0 "[ . 1 . 2]" 1
1429 1 122 SER HA 1 125 LEU H 3.100 . 4.300 3.592 3.045 4.288 . 0 0 "[ . 1 . 2]" 1
1430 1 124 ASN HB2 1 125 LEU H 4.000 . 6.000 2.543 2.109 2.892 . 0 0 "[ . 1 . 2]" 1
1431 1 124 ASN HB3 1 125 LEU H 2.700 . 3.600 3.504 3.213 3.644 0.044 10 0 "[ . 1 . 2]" 1
1432 1 125 LEU H 1 125 LEU HA 2.400 . 3.100 2.868 2.731 2.942 . 0 0 "[ . 1 . 2]" 1
1433 1 125 LEU H 1 125 LEU HB2 2.300 . 3.000 2.246 2.089 2.393 . 0 0 "[ . 1 . 2]" 1
1434 1 125 LEU H 1 125 LEU MD1 2.600 . 6.000 3.267 1.821 4.244 . 0 0 "[ . 1 . 2]" 1
1435 1 125 LEU H 1 125 LEU HG 2.200 . 6.000 4.137 3.548 4.518 . 0 0 "[ . 1 . 2]" 1
1436 1 125 LEU H 1 126 GLU HB2 4.200 . 6.400 5.187 4.557 6.154 . 0 0 "[ . 1 . 2]" 1
1437 1 125 LEU H 1 126 GLU HG2 4.100 . 6.200 5.313 3.715 6.255 0.055 4 0 "[ . 1 . 2]" 1
1438 1 125 LEU H 1 126 GLU HG3 3.700 . 5.400 4.532 3.693 5.448 0.048 10 0 "[ . 1 . 2]" 1
1439 1 125 LEU H 1 126 GLU H . . 3.300 2.632 2.322 2.992 . 0 0 "[ . 1 . 2]" 1
1440 1 125 LEU H 1 127 VAL MG1 3.700 . 5.400 4.907 3.968 5.181 . 0 0 "[ . 1 . 2]" 1
1441 1 125 LEU H 1 127 VAL H 3.300 . 4.700 4.460 4.071 4.811 0.111 13 0 "[ . 1 . 2]" 1
1442 1 125 LEU H 1 128 GLN HB2 3.500 . 5.100 5.007 4.577 5.186 0.086 17 0 "[ . 1 . 2]" 1
1443 1 123 TYR HA 1 126 GLU H 3.100 . 4.300 3.448 2.619 4.212 . 0 0 "[ . 1 . 2]" 1
1444 1 124 ASN HB2 1 126 GLU H 4.500 . 7.000 4.854 4.510 5.361 . 0 0 "[ . 1 . 2]" 1
1445 1 124 ASN HB3 1 126 GLU H 4.100 . 6.200 5.354 4.907 5.858 . 0 0 "[ . 1 . 2]" 1
1446 1 125 LEU HA 1 126 GLU H 3.000 . 4.100 3.505 3.464 3.585 . 0 0 "[ . 1 . 2]" 1
1447 1 125 LEU HB2 1 126 GLU H 2.800 . 3.800 3.516 3.026 3.801 0.001 12 0 "[ . 1 . 2]" 1
1448 1 126 GLU H 1 126 GLU HA 2.700 . 3.600 2.885 2.776 2.935 . 0 0 "[ . 1 . 2]" 1
1449 1 126 GLU H 1 126 GLU HB2 2.600 . 3.400 2.739 2.432 3.501 0.101 7 0 "[ . 1 . 2]" 1
1450 1 126 GLU H 1 126 GLU HG2 2.900 . 3.900 3.183 1.807 3.931 0.093 10 0 "[ . 1 . 2]" 1
1451 1 126 GLU H 1 126 GLU HG3 2.500 . 3.300 2.558 1.945 3.407 0.107 10 0 "[ . 1 . 2]" 1
1452 1 126 GLU H 1 127 VAL HA 4.000 . 6.000 5.332 5.161 5.522 . 0 0 "[ . 1 . 2]" 1
1453 1 126 GLU H 1 127 VAL MG1 3.400 . 4.800 3.742 3.480 4.032 . 0 0 "[ . 1 . 2]" 1
1454 1 126 GLU H 1 127 VAL H 2.700 . 3.600 2.689 2.468 2.932 . 0 0 "[ . 1 . 2]" 1
1455 1 126 GLU H 1 128 GLN HB2 2.900 . 6.000 4.907 4.663 5.163 . 0 0 "[ . 1 . 2]" 1
1456 1 126 GLU H 1 129 ASN HB2 3.800 . 5.600 5.302 4.816 5.701 0.101 7 0 "[ . 1 . 2]" 1
1457 1 107 ALA MB 1 127 VAL H 4.000 . 6.000 3.693 3.168 4.313 . 0 0 "[ . 1 . 2]" 1
1458 1 124 ASN HA 1 127 VAL H 2.900 . 6.000 3.745 3.221 4.052 . 0 0 "[ . 1 . 2]" 1
1459 1 124 ASN HB2 1 127 VAL H 4.600 . 7.200 5.847 5.425 6.095 . 0 0 "[ . 1 . 2]" 1
1460 1 124 ASN HB3 1 127 VAL H 3.900 . 5.800 5.603 4.894 5.834 0.034 6 0 "[ . 1 . 2]" 1
1461 1 126 GLU HA 1 127 VAL H 3.400 . 4.900 3.571 3.550 3.599 . 0 0 "[ . 1 . 2]" 1
1462 1 126 GLU HB2 1 127 VAL H 3.100 . 4.300 2.868 2.111 4.303 0.003 8 0 "[ . 1 . 2]" 1
1463 1 126 GLU HG2 1 127 VAL H 3.700 . 5.400 4.545 3.549 5.131 . 0 0 "[ . 1 . 2]" 1
1464 1 126 GLU HG3 1 127 VAL H 3.100 . 4.300 3.846 2.082 4.388 0.088 2 0 "[ . 1 . 2]" 1
1465 1 127 VAL H 1 127 VAL HA 2.800 . 3.800 2.900 2.819 2.934 . 0 0 "[ . 1 . 2]" 1
1466 1 127 VAL H 1 127 VAL HB 3.000 2.200 3.800 3.574 2.986 3.690 . 0 0 "[ . 1 . 2]" 1
1467 1 127 VAL H 1 127 VAL MG1 2.400 . 3.100 1.771 1.667 1.968 0.033 10 0 "[ . 1 . 2]" 1
1468 1 127 VAL H 1 127 VAL MG2 2.900 . 3.900 2.514 2.127 3.668 . 0 0 "[ . 1 . 2]" 1
1469 1 127 VAL H 1 128 GLN HB2 3.400 . 4.900 4.576 4.276 4.911 0.011 10 0 "[ . 1 . 2]" 1
1470 1 127 VAL H 1 128 GLN H 2.800 . 3.400 2.509 2.372 2.776 . 0 0 "[ . 1 . 2]" 1
1471 1 124 ASN HA 1 128 GLN H 2.600 . 6.000 4.231 3.663 5.069 . 0 0 "[ . 1 . 2]" 1
1472 1 126 GLU HA 1 128 GLN H 4.300 . 6.600 4.525 4.158 4.824 . 0 0 "[ . 1 . 2]" 1
1473 1 127 VAL HA 1 128 GLN H 3.100 . 4.300 3.511 3.451 3.568 . 0 0 "[ . 1 . 2]" 1
1474 1 127 VAL HB 1 128 GLN H 2.400 . 6.000 3.911 3.696 4.112 . 0 0 "[ . 1 . 2]" 1
1475 1 127 VAL MG1 1 128 GLN H 2.700 . 3.600 3.310 1.837 3.583 . 0 0 "[ . 1 . 2]" 1
1476 1 127 VAL MG2 1 128 GLN H 2.600 . 3.500 1.967 1.693 3.180 0.007 19 0 "[ . 1 . 2]" 1
1477 1 128 GLN H 1 128 GLN HA 2.500 . 3.300 2.857 2.787 2.937 . 0 0 "[ . 1 . 2]" 1
1478 1 128 GLN H 1 128 GLN HB2 2.200 . 2.800 2.436 2.272 2.574 . 0 0 "[ . 1 . 2]" 1
1479 1 128 GLN H 1 128 GLN HG2 2.300 . 3.000 2.386 2.138 3.056 0.056 5 0 "[ . 1 . 2]" 1
1480 1 128 GLN H 1 129 ASN HA 4.400 . 6.900 5.222 4.944 5.387 . 0 0 "[ . 1 . 2]" 1
1481 1 128 GLN H 1 129 ASN HB2 3.400 . 4.800 4.734 4.459 5.002 0.202 9 0 "[ . 1 . 2]" 1
1482 1 128 GLN H 1 129 ASN H 2.500 . 3.300 2.606 2.333 2.777 . 0 0 "[ . 1 . 2]" 1
1483 1 125 LEU HA 1 128 GLN HE21 4.000 . 6.000 5.739 4.441 6.007 0.007 12 0 "[ . 1 . 2]" 1
1484 1 127 VAL MG2 1 128 GLN HE21 3.600 . 5.200 3.842 1.999 4.581 0.001 12 0 "[ . 1 . 2]" 1
1485 1 128 GLN HA 1 128 GLN HE21 3.900 . 5.800 3.757 1.974 5.161 0.026 10 0 "[ . 1 . 2]" 1
1486 1 128 GLN HB2 1 128 GLN HE21 3.800 . 5.600 4.320 3.308 4.729 . 0 0 "[ . 1 . 2]" 1
1487 1 128 GLN HE21 1 128 GLN HG2 2.700 . 3.600 2.757 2.246 3.257 . 0 0 "[ . 1 . 2]" 1
1488 1 128 GLN HE22 1 128 GLN HG2 2.800 . 3.800 3.719 3.512 3.923 0.123 3 0 "[ . 1 . 2]" 1
1489 1 126 GLU HA 1 129 ASN H 2.700 . 3.600 3.586 3.284 3.733 0.133 15 0 "[ . 1 . 2]" 1
1490 1 127 VAL MG2 1 129 ASN H 3.800 . 5.600 3.987 3.839 4.321 . 0 0 "[ . 1 . 2]" 1
1491 1 127 VAL H 1 129 ASN H 3.700 . 5.400 3.786 3.521 4.009 . 0 0 "[ . 1 . 2]" 1
1492 1 128 GLN HA 1 129 ASN H 2.900 . 4.000 3.431 3.391 3.452 . 0 0 "[ . 1 . 2]" 1
1493 1 128 GLN HB2 1 129 ASN H 2.400 . 3.100 3.133 3.085 3.177 0.077 20 0 "[ . 1 . 2]" 1
1494 1 128 GLN HG2 1 129 ASN H 3.000 . 6.000 4.549 4.404 4.907 . 0 0 "[ . 1 . 2]" 1
1495 1 129 ASN H 1 129 ASN HA 2.600 . 3.400 2.930 2.905 2.954 . 0 0 "[ . 1 . 2]" 1
1496 1 129 ASN H 1 129 ASN HB2 2.400 . 3.100 2.377 2.097 3.012 . 0 0 "[ . 1 . 2]" 1
1497 1 129 ASN H 1 129 ASN HB3 2.500 . 6.000 3.422 2.082 3.660 . 0 0 "[ . 1 . 2]" 1
1498 1 129 ASN H 1 129 ASN HD21 3.800 . 5.300 3.762 2.404 4.561 . 0 0 "[ . 1 . 2]" 1
1499 1 129 ASN H 1 129 ASN HD22 3.700 . 4.900 4.587 3.810 5.215 0.315 9 0 "[ . 1 . 2]" 1
1500 1 129 ASN H 1 130 ILE H 2.600 . 3.400 2.592 2.444 2.847 . 0 0 "[ . 1 . 2]" 1
1501 1 126 GLU HA 1 129 ASN HD21 3.300 . 4.700 3.160 2.073 4.698 . 0 0 "[ . 1 . 2]" 1
1502 1 126 GLU HA 1 129 ASN HD22 3.500 . 5.000 3.955 2.771 4.993 . 0 0 "[ . 1 . 2]" 1
1503 1 129 ASN HB2 1 129 ASN HD21 2.900 . 4.000 2.690 2.265 3.584 . 0 0 "[ . 1 . 2]" 1
1504 1 129 ASN HB2 1 129 ASN HD22 3.000 . 4.100 3.694 3.519 4.099 . 0 0 "[ . 1 . 2]" 1
1505 1 129 ASN HB3 1 129 ASN HD21 3.200 . 4.500 2.980 2.468 3.613 . 0 0 "[ . 1 . 2]" 1
1506 1 129 ASN HB3 1 129 ASN HD22 3.100 . 4.300 3.818 3.559 4.121 . 0 0 "[ . 1 . 2]" 1
1507 1 103 ALA MB 1 130 ILE H 4.000 . 6.000 5.333 4.856 5.745 . 0 0 "[ . 1 . 2]" 1
1508 1 127 VAL HA 1 130 ILE H 3.500 . 5.000 3.398 3.060 3.701 . 0 0 "[ . 1 . 2]" 1
1509 1 129 ASN HB2 1 130 ILE H 2.900 . 4.000 2.874 2.353 4.066 0.066 18 0 "[ . 1 . 2]" 1
1510 1 129 ASN HB3 1 130 ILE H 3.000 . 4.100 3.332 2.737 3.843 . 0 0 "[ . 1 . 2]" 1
1511 1 130 ILE H 1 130 ILE HA 2.700 . 3.600 2.878 2.774 2.951 . 0 0 "[ . 1 . 2]" 1
1512 1 130 ILE H 1 130 ILE HB 2.400 . 3.600 3.059 2.666 3.628 0.028 18 0 "[ . 1 . 2]" 1
1513 1 130 ILE H 1 130 ILE MD 2.700 . 3.600 2.536 1.763 3.329 0.037 20 0 "[ . 1 . 2]" 1
1514 1 130 ILE H 1 130 ILE HG12 2.800 . 3.800 2.239 1.785 3.973 0.173 17 0 "[ . 1 . 2]" 1
1515 1 130 ILE HG12 1 131 LEU H 4.000 . 6.000 3.663 2.478 4.315 . 0 0 "[ . 1 . 2]" 1
1516 1 131 LEU H 1 131 LEU HA 2.700 . 3.600 2.808 2.727 2.905 . 0 0 "[ . 1 . 2]" 1
1517 1 131 LEU H 1 131 LEU HB2 2.500 . 3.300 2.274 2.104 2.661 . 0 0 "[ . 1 . 2]" 1
1518 1 131 LEU H 1 131 LEU HB3 3.400 2.700 4.100 3.418 2.748 3.680 . 0 0 "[ . 1 . 2]" 1
1519 1 131 LEU H 1 131 LEU MD1 3.400 2.700 4.100 3.604 2.576 3.927 0.124 16 0 "[ . 1 . 2]" 1
1520 1 131 LEU H 1 131 LEU HG 2.500 . 6.000 3.436 1.888 4.434 . 0 0 "[ . 1 . 2]" 1
1521 1 131 LEU H 1 132 SER HB2 4.000 . 6.000 5.164 4.418 5.604 . 0 0 "[ . 1 . 2]" 1
1522 1 131 LEU H 1 132 SER H 2.800 . 3.600 2.821 2.318 3.158 . 0 0 "[ . 1 . 2]" 1
1523 1 131 LEU HA 1 132 SER H 2.400 . 6.000 3.533 3.379 3.599 . 0 0 "[ . 1 . 2]" 1
1524 1 131 LEU HB2 1 132 SER H 3.100 . 4.300 3.018 2.287 3.863 . 0 0 "[ . 1 . 2]" 1
1525 1 131 LEU HB3 1 132 SER H 2.600 . 3.500 3.260 2.579 3.578 0.078 4 0 "[ . 1 . 2]" 1
1526 1 131 LEU MD1 1 132 SER H 2.800 . 6.000 4.734 4.153 5.198 . 0 0 "[ . 1 . 2]" 1
1527 1 132 SER H 1 132 SER HA 3.000 . 4.100 2.874 2.763 2.940 . 0 0 "[ . 1 . 2]" 1
1528 1 132 SER H 1 132 SER HB2 2.500 . 3.300 2.580 2.334 2.860 . 0 0 "[ . 1 . 2]" 1
1529 1 132 SER H 1 133 PHE H 2.600 . 3.300 2.623 2.400 2.905 . 0 0 "[ . 1 . 2]" 1
1530 1 132 SER H 1 135 LYS HE2 4.100 . 6.200 5.711 4.571 6.340 0.140 20 0 "[ . 1 . 2]" 1
1531 1 130 ILE HB 1 133 PHE H 3.300 . 6.000 5.157 4.761 5.636 . 0 0 "[ . 1 . 2]" 1
1532 1 131 LEU HA 1 133 PHE H 2.700 . 4.600 4.153 3.759 4.553 . 0 0 "[ . 1 . 2]" 1
1533 1 131 LEU H 1 133 PHE H 3.300 . 4.700 4.184 3.781 4.614 . 0 0 "[ . 1 . 2]" 1
1534 1 133 PHE H 1 133 PHE HA 2.500 . 3.300 2.880 2.778 2.949 . 0 0 "[ . 1 . 2]" 1
1535 1 133 PHE H 1 133 PHE HB2 1.900 . 2.300 2.280 2.136 2.381 0.081 4 0 "[ . 1 . 2]" 1
1536 1 133 PHE H 1 133 PHE QD 2.900 . 6.000 2.857 1.705 4.133 . 0 0 "[ . 1 . 2]" 1
1537 1 133 PHE H 1 134 LEU HG 4.000 . 6.000 5.163 3.755 6.048 0.048 17 0 "[ . 1 . 2]" 1
1538 1 133 PHE H 1 134 LEU H 2.600 . 3.400 2.679 2.368 2.923 . 0 0 "[ . 1 . 2]" 1
1539 1 131 LEU HA 1 134 LEU H 2.900 . 4.000 3.661 3.165 3.996 . 0 0 "[ . 1 . 2]" 1
1540 1 133 PHE HA 1 134 LEU H 3.400 . 4.900 3.549 3.437 3.599 . 0 0 "[ . 1 . 2]" 1
1541 1 133 PHE HB2 1 134 LEU H 2.500 . 3.300 3.011 2.328 3.418 0.118 3 0 "[ . 1 . 2]" 1
1542 1 133 PHE QD 1 134 LEU H 3.000 . 4.200 4.042 3.345 4.297 0.097 15 0 "[ . 1 . 2]" 1
1543 1 134 LEU H 1 134 LEU HA 2.600 . 3.400 2.845 2.758 2.903 . 0 0 "[ . 1 . 2]" 1
1544 1 134 LEU H 1 134 LEU HB2 2.600 . 3.500 3.042 2.308 3.607 0.107 8 0 "[ . 1 . 2]" 1
1545 1 134 LEU H 1 134 LEU HB3 2.700 . 3.600 2.859 2.034 3.626 0.026 16 0 "[ . 1 . 2]" 1
1546 1 134 LEU H 1 134 LEU QD 3.700 2.800 4.200 2.497 1.548 3.553 1.252 17 9 "[* *.-* * * .*+ *]" 1
1547 1 134 LEU H 1 134 LEU HG 2.500 . 3.300 3.029 1.873 3.509 0.209 1 0 "[ . 1 . 2]" 1
1548 1 134 LEU H 1 135 LYS HB3 2.900 . 6.000 5.258 4.739 6.165 0.165 10 0 "[ . 1 . 2]" 1
1549 1 134 LEU H 1 135 LYS H 2.600 . 3.400 2.679 2.486 3.115 . 0 0 "[ . 1 . 2]" 1
1550 1 134 LEU H 1 136 MET H 3.500 . 5.000 4.098 3.842 4.393 . 0 0 "[ . 1 . 2]" 1
1551 1 134 LEU HB2 1 135 LYS H 2.800 . 6.000 3.492 2.440 4.221 . 0 0 "[ . 1 . 2]" 1
1552 1 134 LEU QD 1 135 LYS H 3.100 . 6.000 3.161 2.551 3.850 . 0 0 "[ . 1 . 2]" 1
1553 1 135 LYS H 1 135 LYS HA 2.400 . 3.100 2.856 2.783 2.946 . 0 0 "[ . 1 . 2]" 1
1554 1 135 LYS H 1 135 LYS HB3 3.100 2.500 3.700 2.768 2.421 3.589 0.079 20 0 "[ . 1 . 2]" 1
1555 1 135 LYS H 1 135 LYS HD2 3.500 2.400 4.600 4.496 3.249 4.781 0.181 17 0 "[ . 1 . 2]" 1
1556 1 135 LYS H 1 135 LYS HE2 3.800 . 5.600 4.661 3.856 5.476 . 0 0 "[ . 1 . 2]" 1
1557 1 135 LYS H 1 136 MET H 2.500 . 3.300 2.609 2.340 2.816 . 0 0 "[ . 1 . 2]" 1
1558 1 134 LEU HB3 1 136 MET H 3.600 . 5.200 5.287 4.675 5.554 0.354 3 0 "[ . 1 . 2]" 1
1559 1 134 LEU QD 1 136 MET H 4.400 . 6.800 4.454 4.079 5.082 . 0 0 "[ . 1 . 2]" 1
1560 1 135 LYS HA 1 136 MET H 2.500 . 6.000 3.474 3.391 3.532 . 0 0 "[ . 1 . 2]" 1
1561 1 135 LYS HB3 1 136 MET H 3.000 2.300 3.700 3.391 2.858 3.974 0.274 16 0 "[ . 1 . 2]" 1
1562 1 135 LYS HD2 1 136 MET H 3.600 . 5.200 4.684 3.387 5.316 0.116 4 0 "[ . 1 . 2]" 1
1563 1 135 LYS HG2 1 136 MET H 3.300 . 4.700 3.895 2.026 4.758 0.058 1 0 "[ . 1 . 2]" 1
1564 1 136 MET H 1 136 MET HA 2.300 . 3.000 2.961 2.856 3.016 0.016 4 0 "[ . 1 . 2]" 1
1565 1 136 MET H 1 136 MET HB2 3.000 2.300 3.700 3.181 2.407 3.972 0.272 7 0 "[ . 1 . 2]" 1
1566 1 136 MET H 1 136 MET HB3 2.400 . 6.000 3.351 2.514 3.734 . 0 0 "[ . 1 . 2]" 1
1567 1 136 MET H 1 136 MET HG2 2.500 . 3.300 2.636 1.807 3.387 0.087 13 0 "[ . 1 . 2]" 1
1568 1 136 MET H 1 136 MET HG3 2.600 . 3.500 2.866 1.900 3.772 0.272 9 0 "[ . 1 . 2]" 1
1569 1 72 ILE MD 1 137 GLN H 4.000 . 6.000 4.698 3.928 4.934 . 0 0 "[ . 1 . 2]" 1
1570 1 134 LEU QD 1 137 GLN H 4.000 . 6.000 4.513 4.070 4.781 . 0 0 "[ . 1 . 2]" 1
1571 1 136 MET QB 1 137 GLN H 4.000 . 6.000 3.436 1.958 4.069 . 0 0 "[ . 1 . 2]" 1
1572 1 135 LYS HA 1 137 GLN H 4.000 . 6.000 4.277 3.699 5.438 . 0 0 "[ . 1 . 2]" 1
1573 1 136 MET HA 1 137 GLN H 3.000 . 4.500 3.287 2.674 3.597 . 0 0 "[ . 1 . 2]" 1
1574 1 136 MET H 1 137 GLN H 2.000 . 3.500 2.473 2.018 2.916 . 0 0 "[ . 1 . 2]" 1
1575 1 137 GLN HA 1 138 HIS H 3.000 . 4.500 3.363 2.184 3.595 . 0 0 "[ . 1 . 2]" 1
1576 1 135 LYS HA 1 138 HIS H 4.000 . 6.000 5.669 3.854 6.079 0.079 10 0 "[ . 1 . 2]" 1
1577 1 137 GLN QB 1 138 HIS H 3.000 . 4.500 2.925 1.761 4.039 0.039 20 0 "[ . 1 . 2]" 1
1578 1 137 GLN QG 1 138 HIS H 3.000 . 4.500 3.316 1.702 4.106 0.098 6 0 "[ . 1 . 2]" 1
1579 1 137 GLN H 1 138 HIS H 3.000 . 4.500 2.801 1.758 4.033 0.042 2 0 "[ . 1 . 2]" 1
1580 1 72 ILE MD 1 138 HIS H 4.000 . 6.500 4.723 3.191 5.333 . 0 0 "[ . 1 . 2]" 1
1581 1 29 GLY H 2 1 4IP H2 4.000 . 7.000 4.243 3.188 5.026 . 0 0 "[ . 1 . 2]" 1
1582 1 27 LEU H 2 1 4IP H6 4.000 . 7.000 6.848 5.407 7.263 0.263 2 0 "[ . 1 . 2]" 1
1583 1 31 LYS QE 2 1 4IP H3 3.000 . 5.000 2.757 2.366 3.384 . 0 0 "[ . 1 . 2]" 1
1584 1 21 LYS QD 2 1 4IP H4 4.000 . 6.500 4.916 2.303 6.870 0.370 19 0 "[ . 1 . 2]" 1
1585 1 21 LYS QE 2 1 4IP H4 4.000 . 6.000 3.904 2.422 5.332 . 0 0 "[ . 1 . 2]" 1
1586 1 21 LYS QE 2 1 4IP H3 4.000 . 6.000 3.937 2.701 5.546 . 0 0 "[ . 1 . 2]" 1
1587 1 46 LYS QE 2 1 4IP H4 4.000 . 6.000 5.586 3.661 7.449 1.449 17 4 "[ **. 1 . +- 2]" 1
1588 1 46 LYS QE 2 1 4IP H3 4.000 . 6.000 4.267 2.969 5.379 . 0 0 "[ . 1 . 2]" 1
1589 1 46 LYS QD 2 1 4IP H4 4.000 . 6.000 5.588 4.221 6.636 0.636 1 2 "[+ -. 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 10
_Distance_constraint_stats_list.Viol_count 17
_Distance_constraint_stats_list.Viol_total 106.225
_Distance_constraint_stats_list.Viol_max 0.691
_Distance_constraint_stats_list.Viol_rms 0.1032
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0266
_Distance_constraint_stats_list.Viol_average_violations_only 0.3124
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 23 LYS 2.990 0.691 4 3 "[ +. * . -2]"
1 24 LYS 2.990 0.691 4 3 "[ +. * . -2]"
1 28 LYS 2.322 0.391 11 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 4IP 5.311 0.691 4 3 "[ +. * . -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 31 LYS QE 2 1 4IP H2 3.000 . 5.000 2.753 2.109 3.572 . 0 0 "[ . 1 . 2]" 2
2 1 31 LYS QE 2 1 4IP H4 4.000 . 6.000 4.804 4.336 5.323 . 0 0 "[ . 1 . 2]" 2
3 1 28 LYS QE 2 1 4IP H1 3.000 . 5.000 3.225 2.315 4.177 . 0 0 "[ . 1 . 2]" 2
4 1 23 LYS QE 2 1 4IP H4 3.000 . 5.500 5.268 3.911 6.191 0.691 4 3 "[ +. * . -2]" 2
5 1 28 LYS QE 2 1 4IP H2 3.000 . 5.000 4.759 2.569 5.391 0.391 11 0 "[ . 1 . 2]" 2
6 1 46 LYS QD 2 1 4IP H1 4.000 . 6.000 3.516 2.246 4.379 . 0 0 "[ . 1 . 2]" 2
7 1 28 LYS QD 2 1 4IP H1 4.000 . 6.500 3.578 2.299 4.680 . 0 0 "[ . 1 . 2]" 2
8 1 31 LYS QD 2 1 4IP H3 4.000 . 6.000 4.315 3.933 4.644 . 0 0 "[ . 1 . 2]" 2
9 1 28 LYS QD 2 1 4IP H2 4.000 . 6.000 3.602 2.628 4.284 . 0 0 "[ . 1 . 2]" 2
10 1 31 LYS QD 2 1 4IP H4 4.000 . 7.000 6.221 6.016 6.346 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 101
_Distance_constraint_stats_list.Viol_count 935
_Distance_constraint_stats_list.Viol_total 7343.032
_Distance_constraint_stats_list.Viol_max 2.029
_Distance_constraint_stats_list.Viol_rms 0.2966
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1818
_Distance_constraint_stats_list.Viol_average_violations_only 0.3927
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 99 GLU 4.529 0.881 9 1 "[ . +1 . 2]"
1 100 LYS 12.414 0.835 9 9 "[ * +* ** * * -*]"
1 101 GLN 14.554 0.789 20 9 "[ * ** -* * . ** +]"
1 102 TYR 11.716 1.554 20 6 "[* .* **- . +]"
1 103 ALA 54.443 2.029 8 19 "[*******+** *-*******]"
1 104 HIS 24.654 0.835 9 15 "[ * *** *+* ***.***-*]"
1 105 TRP 21.494 1.554 20 12 "[*** ** *-* * . ** +]"
1 106 MET 45.983 2.029 8 19 "[*******+** *-*******]"
1 107 ALA 32.290 1.024 20 18 "[********** *******+]"
1 108 ALA 13.820 0.795 19 7 "[ ***- * 1* . +2]"
1 109 CYS 21.636 0.981 9 14 "[ * ****+*** ** *-*2]"
1 110 ARG 37.523 1.024 20 19 "[** ***************-+]"
1 111 LEU 25.989 0.866 15 15 "[ * ***** ****-+ ***2]"
1 112 ALA 5.322 0.581 17 3 "[ . 1 *. +- 2]"
1 113 SER 41.458 1.796 5 20 [****+*-*************]
1 114 LYS 29.715 0.963 11 19 "[** **-****+*********]"
1 115 GLY 14.780 0.866 15 13 "[ * *.*** ****-+ ** 2]"
1 116 LYS 23.955 1.796 5 20 [****+*****-*********]
1 122 SER 8.687 0.819 9 3 "[ . +1 . -* 2]"
1 123 TYR 10.995 0.788 6 6 "[ .+ *1 * . -* *]"
1 124 ASN 5.955 0.446 17 0 "[ . 1 . 2]"
1 125 LEU 14.644 0.713 10 9 "[* *-**** + * 2]"
1 126 GLU 21.924 0.819 9 8 "[ * ** +1 * **-2]"
1 127 VAL 16.687 0.764 9 7 "[ .* +1 * .*-* *]"
1 128 GLN 42.649 1.580 16 20 [*************-*+****]
1 129 ASN 23.413 1.212 5 14 "[* **+*** - * *** **]"
1 130 ILE 23.282 0.778 17 11 "[* *** * * **+ -*]"
1 131 LEU 35.160 1.580 16 20 [***************+-***]
1 132 SER 37.813 1.212 5 19 [****+********-.*****]
1 133 PHE 18.820 0.797 19 12 "[* **.** *- * .** +*]"
1 134 LEU 11.354 0.724 20 9 "[****. - * . * *+]"
1 135 LYS 10.386 0.856 16 7 "[ * . - *1* *.+ *]"
1 136 MET 16.260 0.829 9 12 "[ ** * **+1 ** .** -*]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 99 GLU O 1 102 TYR N 3.500 3.000 4.500 3.299 2.772 3.941 0.228 4 0 "[ . 1 . 2]" 3
2 1 99 GLU O 1 102 TYR H 2.000 . 3.000 3.001 2.232 3.881 0.881 9 1 "[ . +1 . 2]" 3
3 1 99 GLU O 1 103 ALA N 3.000 2.500 3.500 3.241 2.860 3.545 0.045 5 0 "[ . 1 . 2]" 3
4 1 99 GLU O 1 103 ALA H 2.000 . 2.300 2.296 1.888 2.571 0.271 5 0 "[ . 1 . 2]" 3
5 1 100 LYS O 1 103 ALA N 3.500 3.000 4.500 3.406 3.049 4.156 . 0 0 "[ . 1 . 2]" 3
6 1 100 LYS O 1 103 ALA H 2.000 . 3.000 3.017 2.395 3.822 0.822 9 2 "[ . +1 - 2]" 3
7 1 100 LYS O 1 104 HIS N 3.000 2.500 3.500 3.500 3.199 4.004 0.504 9 1 "[ . +1 . 2]" 3
8 1 100 LYS O 1 104 HIS H 2.000 . 2.300 2.704 2.367 3.135 0.835 9 8 "[ * +* ** . * -*]" 3
9 1 101 GLN O 1 104 HIS N 3.500 3.000 4.500 2.827 2.555 3.462 0.445 12 0 "[ . 1 . 2]" 3
10 1 101 GLN O 1 104 HIS H 2.000 . 3.000 2.036 1.644 2.889 . 0 0 "[ . 1 . 2]" 3
11 1 101 GLN O 1 105 TRP N 3.000 2.500 3.500 3.564 3.180 3.892 0.392 20 0 "[ . 1 . 2]" 3
12 1 101 GLN O 1 105 TRP H 2.000 . 2.300 2.708 2.278 3.089 0.789 20 9 "[ * ** -* * . ** +]" 3
13 1 102 TYR O 1 105 TRP N 3.500 3.000 4.500 3.521 3.147 4.735 0.235 20 0 "[ . 1 . 2]" 3
14 1 102 TYR O 1 105 TRP H 2.000 . 3.000 3.295 2.901 4.554 1.554 20 4 "[* .* - 1 . +]" 3
15 1 102 TYR O 1 106 MET N 3.000 2.500 3.500 2.949 2.496 3.789 0.289 20 0 "[ . 1 . 2]" 3
16 1 102 TYR O 1 106 MET H 2.000 . 2.300 2.223 1.593 3.051 0.751 20 2 "[ . - . +]" 3
17 1 103 ALA O 1 106 MET N 3.500 3.000 4.500 4.558 3.557 5.015 0.515 8 2 "[ . + 1 - . 2]" 3
18 1 103 ALA O 1 106 MET H 2.000 . 3.000 4.378 3.498 5.029 2.029 8 19 "[*****-*+** *********]" 3
19 1 103 ALA O 1 107 ALA N 3.000 2.500 3.500 3.770 2.896 3.974 0.474 3 0 "[ . 1 . 2]" 3
20 1 103 ALA O 1 107 ALA H 2.000 . 2.300 2.926 1.958 3.102 0.802 1 17 "[+**** **** *******-]" 3
21 1 104 HIS O 1 107 ALA N 3.500 3.000 4.500 3.801 3.126 4.470 . 0 0 "[ . 1 . 2]" 3
22 1 104 HIS O 1 107 ALA H 2.000 . 3.000 3.265 2.432 3.794 0.794 6 6 "[ * *.+ 1 *.- * 2]" 3
23 1 104 HIS O 1 108 ALA N 3.000 2.500 3.500 3.253 2.769 3.747 0.247 6 0 "[ . 1 . 2]" 3
24 1 104 HIS O 1 108 ALA H 2.000 . 2.300 2.394 1.838 2.867 0.567 4 3 "[ +.- * 1 . 2]" 3
25 1 105 TRP O 1 108 ALA N 3.500 3.000 4.500 2.825 2.411 3.429 0.589 3 2 "[ + . - 1 . 2]" 3
26 1 105 TRP O 1 108 ALA H 2.000 . 3.000 2.460 1.733 3.070 0.070 9 0 "[ . 1 . 2]" 3
27 1 105 TRP O 1 109 CYS N 3.000 2.500 3.500 2.702 2.458 2.944 0.042 1 0 "[ . 1 . 2]" 3
28 1 105 TRP O 1 109 CYS H 2.000 . 2.300 1.768 1.491 2.041 0.009 6 0 "[ . 1 . 2]" 3
29 1 106 MET O 1 109 CYS N 3.500 3.000 4.500 3.550 2.774 4.326 0.226 10 0 "[ . 1 . 2]" 3
30 1 106 MET O 1 109 CYS H 2.000 . 3.000 3.100 2.100 3.981 0.981 9 6 "[ * * +1 ** - 2]" 3
31 1 106 MET O 1 110 ARG N 3.000 2.500 3.500 3.352 2.608 3.798 0.298 9 0 "[ . 1 . 2]" 3
32 1 106 MET O 1 110 ARG H 2.000 . 2.300 2.463 1.674 3.014 0.714 18 4 "[ . *1 *- + 2]" 3
33 1 107 ALA O 1 110 ARG N 3.500 3.000 4.500 3.200 2.626 4.259 0.374 9 0 "[ . 1 . 2]" 3
34 1 107 ALA O 1 110 ARG H 2.000 . 3.000 2.663 1.842 4.024 1.024 20 2 "[ . - 1 . +]" 3
35 1 107 ALA O 1 111 LEU N 3.000 2.500 3.500 3.043 2.411 3.695 0.195 10 0 "[ . 1 . 2]" 3
36 1 107 ALA O 1 111 LEU H 2.000 . 2.300 2.146 1.452 2.787 0.487 10 0 "[ . 1 . 2]" 3
37 1 108 ALA O 1 111 LEU N 3.500 3.000 4.500 3.220 2.377 4.092 0.623 5 1 "[ + 1 . 2]" 3
38 1 108 ALA O 1 111 LEU H 2.000 . 3.000 2.920 1.673 3.795 0.795 19 2 "[ . 1- . +2]" 3
39 1 108 ALA O 1 112 ALA N 3.000 2.500 3.500 2.692 2.406 3.326 0.094 17 0 "[ . 1 . 2]" 3
40 1 108 ALA O 1 112 ALA H 2.000 . 2.300 1.794 1.461 2.480 0.180 3 0 "[ . 1 . 2]" 3
41 1 109 CYS O 1 112 ALA N 3.500 3.000 4.500 3.367 2.952 3.969 0.048 20 0 "[ . 1 . 2]" 3
42 1 109 CYS O 1 112 ALA H 2.000 . 3.000 2.957 2.446 3.527 0.527 18 1 "[ . 1 . + 2]" 3
43 1 109 CYS O 1 113 SER N 3.000 2.500 3.500 3.503 2.795 3.798 0.298 14 0 "[ . 1 . 2]" 3
44 1 109 CYS O 1 113 SER H 2.000 . 2.300 2.844 1.991 3.115 0.815 3 13 "[ + ******** *- **2]" 3
45 1 110 ARG O 1 113 SER N 3.500 3.000 4.500 2.825 2.431 3.188 0.569 7 1 "[ . + 1 . 2]" 3
46 1 110 ARG O 1 113 SER H 2.000 . 3.000 1.976 1.537 2.473 . 0 0 "[ . 1 . 2]" 3
47 1 110 ARG O 1 114 LYS N 3.000 2.500 3.500 3.868 3.432 4.108 0.608 11 2 "[ . 1+ . -2]" 3
48 1 110 ARG O 1 114 LYS H 2.000 . 2.300 3.075 2.594 3.263 0.963 11 19 "[-* *******+*********]" 3
49 1 111 LEU O 1 114 LYS N 3.500 3.000 4.500 2.660 2.380 2.992 0.620 8 5 "[ .- + * * * 2]" 3
50 1 111 LEU O 1 114 LYS H 2.000 . 3.000 1.977 1.540 2.387 . 0 0 "[ . 1 . 2]" 3
51 1 111 LEU O 1 115 GLY N 3.000 2.500 3.500 3.401 2.369 3.912 0.412 7 0 "[ . 1 . 2]" 3
52 1 111 LEU O 1 115 GLY H 2.000 . 2.300 2.750 1.497 3.166 0.866 15 13 "[ * *.*** ****-+ ** 2]" 3
53 1 112 ALA O 1 115 GLY N 3.500 3.000 4.500 3.191 2.419 4.185 0.581 17 2 "[ . 1 -. + 2]" 3
54 1 112 ALA O 1 115 GLY H 2.000 . 3.000 2.366 1.573 3.455 0.455 3 0 "[ . 1 . 2]" 3
55 1 113 SER O 1 116 LYS N 3.500 3.000 4.500 5.698 5.340 6.296 1.796 5 20 [****+*****-*********] 3
56 1 122 SER O 1 125 LEU N 3.500 3.000 4.500 3.047 2.670 3.619 0.330 3 0 "[ . 1 . 2]" 3
57 1 122 SER O 1 125 LEU H 2.000 . 3.000 2.460 1.947 3.122 0.122 4 0 "[ . 1 . 2]" 3
58 1 122 SER O 1 126 GLU N 3.000 2.500 3.500 3.321 2.779 3.999 0.499 18 0 "[ . 1 . 2]" 3
59 1 122 SER O 1 126 GLU H 2.000 . 2.300 2.456 1.817 3.119 0.819 9 3 "[ . +1 . -* 2]" 3
60 1 123 TYR O 1 126 GLU N 3.500 3.000 4.500 3.067 2.401 4.354 0.599 9 2 "[ . +1 . - 2]" 3
61 1 123 TYR O 1 126 GLU H 2.000 . 3.000 2.400 1.789 3.788 0.788 6 1 "[ .+ 1 . 2]" 3
62 1 123 TYR O 1 127 VAL N 3.000 2.500 3.500 3.336 2.836 3.960 0.460 6 0 "[ . 1 . 2]" 3
63 1 123 TYR O 1 127 VAL H 2.000 . 2.300 2.419 1.900 3.041 0.741 6 4 "[ .+ 1 * . - *]" 3
64 1 124 ASN O 1 127 VAL N 3.500 3.000 4.500 3.495 2.587 3.917 0.413 4 0 "[ . 1 . 2]" 3
65 1 124 ASN O 1 127 VAL H 2.000 . 3.000 2.915 1.870 3.389 0.389 2 0 "[ . 1 . 2]" 3
66 1 124 ASN O 1 128 GLN N 3.000 2.500 3.500 3.227 2.742 3.723 0.223 17 0 "[ . 1 . 2]" 3
67 1 124 ASN O 1 128 GLN H 2.000 . 2.300 2.300 1.822 2.746 0.446 17 0 "[ . 1 . 2]" 3
68 1 125 LEU O 1 128 GLN N 3.500 3.000 4.500 3.623 2.827 4.052 0.173 17 0 "[ . 1 . 2]" 3
69 1 125 LEU O 1 128 GLN H 2.000 . 3.000 3.228 2.540 3.701 0.701 3 3 "[- +*. 1 . 2]" 3
70 1 125 LEU O 1 129 ASN N 3.000 2.500 3.500 3.223 2.809 3.602 0.102 15 0 "[ . 1 . 2]" 3
71 1 125 LEU O 1 129 ASN H 2.000 . 2.300 2.642 2.163 3.013 0.713 10 8 "[ *-**** + * 2]" 3
72 1 126 GLU O 1 129 ASN N 3.500 3.000 4.500 3.191 2.575 3.461 0.425 10 0 "[ . 1 . 2]" 3
73 1 126 GLU O 1 129 ASN H 2.000 . 3.000 2.369 1.690 2.700 . 0 0 "[ . 1 . 2]" 3
74 1 126 GLU O 1 130 ILE N 3.000 2.500 3.500 3.563 3.390 3.896 0.396 5 0 "[ . 1 . 2]" 3
75 1 126 GLU O 1 130 ILE H 2.000 . 2.300 2.685 2.471 3.078 0.778 17 5 "[ * * 1 * + -2]" 3
76 1 127 VAL O 1 130 ILE N 3.500 3.000 4.500 3.225 2.695 3.904 0.305 17 0 "[ . 1 . 2]" 3
77 1 127 VAL O 1 130 ILE H 2.000 . 3.000 2.640 1.838 3.326 0.326 18 0 "[ . 1 . 2]" 3
78 1 127 VAL O 1 131 LEU N 3.000 2.500 3.500 3.389 2.878 3.970 0.470 9 0 "[ . 1 . 2]" 3
79 1 127 VAL O 1 131 LEU H 2.000 . 2.300 2.485 1.901 3.064 0.764 9 4 "[ . +1 .*-* 2]" 3
80 1 128 GLN O 1 131 LEU N 3.500 3.000 4.500 4.208 3.625 4.677 0.177 16 0 "[ . 1 . 2]" 3
81 1 128 GLN O 1 131 LEU H 2.000 . 3.000 3.850 2.881 4.580 1.580 16 16 "[******** * ****+ - *]" 3
82 1 128 GLN O 1 132 SER N 3.000 2.500 3.500 3.736 3.230 4.025 0.525 18 2 "[ . 1 -. + 2]" 3
83 1 128 GLN O 1 132 SER H 2.000 . 2.300 2.921 2.472 3.086 0.786 18 16 "[****.** **** *.**+*-]" 3
84 1 129 ASN O 1 132 SER N 3.500 3.000 4.500 3.422 2.617 4.549 0.383 10 0 "[ . 1 . 2]" 3
85 1 129 ASN O 1 132 SER H 2.000 . 3.000 2.810 1.901 4.212 1.212 5 3 "[ + 1 .* -]" 3
86 1 129 ASN O 1 133 PHE N 3.000 2.500 3.500 3.479 2.737 3.983 0.483 4 0 "[ . 1 . 2]" 3
87 1 129 ASN O 1 133 PHE H 2.000 . 2.300 2.697 1.815 3.097 0.797 19 10 "[* **.** - * . * +*]" 3
88 1 130 ILE O 1 133 PHE N 3.500 3.000 4.500 2.829 2.382 3.480 0.618 16 2 "[ - . 1 .+ 2]" 3
89 1 130 ILE O 1 133 PHE H 2.000 . 3.000 2.121 1.584 2.875 . 0 0 "[ . 1 . 2]" 3
90 1 130 ILE O 1 134 LEU N 3.000 2.500 3.500 3.316 2.402 3.935 0.435 20 0 "[ . 1 . 2]" 3
91 1 130 ILE O 1 134 LEU H 2.000 . 2.300 2.414 1.505 3.024 0.724 20 6 "[* *. * * . - +]" 3
92 1 131 LEU O 1 134 LEU N 3.500 3.000 4.500 3.463 2.794 4.116 0.206 20 0 "[ . 1 . 2]" 3
93 1 131 LEU O 1 134 LEU H 2.000 . 3.000 2.951 2.150 3.655 0.655 2 4 "[ +* . - 1 . *2]" 3
94 1 131 LEU O 1 135 LYS N 3.000 2.500 3.500 3.355 2.557 3.949 0.449 14 0 "[ . 1 . 2]" 3
95 1 131 LEU O 1 135 LYS H 2.000 . 2.300 2.494 1.617 3.055 0.755 20 5 "[ . - *1* *. +]" 3
96 1 132 SER O 1 135 LYS N 3.500 3.000 4.500 3.442 2.651 4.214 0.349 4 0 "[ . 1 . 2]" 3
97 1 132 SER O 1 135 LYS H 2.000 . 3.000 2.856 2.121 3.856 0.856 16 2 "[ - . 1 .+ 2]" 3
98 1 132 SER O 1 136 MET N 3.000 2.500 3.500 3.550 2.632 3.860 0.360 20 0 "[ . 1 . 2]" 3
99 1 132 SER O 1 136 MET H 2.000 . 2.300 2.815 1.791 3.129 0.829 9 12 "[ ** * **+1 ** .** -*]" 3
100 1 133 PHE O 1 136 MET N 3.500 3.000 4.500 3.059 2.390 3.755 0.610 16 2 "[ . -1 .+ 2]" 3
101 1 133 PHE O 1 136 MET H 2.000 . 3.000 2.289 1.448 3.288 0.288 11 0 "[ . 1 . 2]" 3
stop_
save_