NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581872 |
2m6t   |
19153 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m6t
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 80
_Distance_constraint_stats_list.Viol_count 342
_Distance_constraint_stats_list.Viol_total 2584.090
_Distance_constraint_stats_list.Viol_max 1.702
_Distance_constraint_stats_list.Viol_rms 0.2584
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0808
_Distance_constraint_stats_list.Viol_average_violations_only 0.3778
_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 2 LYS 2.365 0.574 15 3 "[ . - *+ 2]"
1 3 SER 2.365 0.574 15 3 "[ . - *+ 2]"
1 4 ASN 0.129 0.046 20 0 "[ . 1 . 2]"
1 5 GLU 0.129 0.046 20 0 "[ . 1 . 2]"
1 6 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLN 21.071 1.551 19 20 [****-*************+*]
1 11 VAL 0.412 0.093 6 0 "[ . 1 . 2]"
1 12 THR 1.110 0.678 11 1 "[ . 1+ . 2]"
1 13 ASN 31.944 1.702 18 20 [*****-***********+**]
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 1.227 0.678 11 1 "[ . 1+ . 2]"
1 19 LEU 21.082 1.551 19 20 [****-*************+*]
1 20 PHE 3.608 0.360 12 0 "[ . 1 . 2]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 9.563 0.388 19 0 "[ . 1 . 2]"
1 23 SER 0.970 0.114 8 0 "[ . 1 . 2]"
1 24 SER 0.970 0.114 8 0 "[ . 1 . 2]"
1 25 LEU 2.748 0.231 14 0 "[ . 1 . 2]"
1 26 SER 0.240 0.110 8 0 "[ . 1 . 2]"
1 31 PHE 0.240 0.110 8 0 "[ . 1 . 2]"
1 33 ALA 1.167 0.347 16 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 MET 0.262 0.145 8 0 "[ . 1 . 2]"
1 44 SER 0.003 0.003 13 0 "[ . 1 . 2]"
1 45 ILE 0.439 0.145 8 0 "[ . 1 . 2]"
1 46 CYS 0.091 0.064 10 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.722 0.722 17 1 "[ . 1 . + 2]"
1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PRO 2.365 0.574 15 3 "[ . - *+ 2]"
1 56 VAL 0.722 0.722 17 1 "[ . 1 . + 2]"
1 58 ALA 6.454 0.388 19 0 "[ . 1 . 2]"
1 60 PHE 2.112 0.746 8 2 "[ . +-1 . 2]"
1 66 SER 2.365 0.574 15 3 "[ . - *+ 2]"
1 67 VAL 19.714 1.199 16 12 "[ ***.* - ** * .+** *]"
1 69 LYS 0.666 0.142 13 0 "[ . 1 . 2]"
1 71 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 21.214 1.551 19 20 [****-*************+*]
1 75 ARG 0.038 0.021 4 0 "[ . 1 . 2]"
1 76 TYR 32.189 1.702 18 20 [*****-***********+**]
1 77 VAL 0.374 0.093 6 0 "[ . 1 . 2]"
1 79 GLN 1.099 0.678 11 1 "[ . 1+ . 2]"
1 80 VAL 1.109 0.678 11 1 "[ . 1+ . 2]"
1 81 LEU 53.354 1.702 18 20 [*********-*******+**]
1 82 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 1.436 0.347 16 0 "[ . 1 . 2]"
1 84 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 CYS 0.045 0.045 12 0 "[ . 1 . 2]"
1 93 SER 0.045 0.045 12 0 "[ . 1 . 2]"
1 94 LYS 0.045 0.045 12 0 "[ . 1 . 2]"
1 97 LEU 0.722 0.722 17 1 "[ . 1 . + 2]"
1 98 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 TYR 15.420 1.199 16 13 "[ ***.* -*** * .+** *]"
1 100 LYS 1.740 0.300 10 0 "[ . 1 . 2]"
1 102 VAL 0.038 0.021 4 0 "[ . 1 . 2]"
1 103 ILE 0.666 0.145 8 0 "[ . 1 . 2]"
1 104 SER 1.099 0.678 11 1 "[ . 1+ . 2]"
1 105 PHE 0.838 0.231 14 0 "[ . 1 . 2]"
1 106 VAL 0.333 0.102 10 0 "[ . 1 . 2]"
1 107 CYS 0.016 0.016 4 0 "[ . 1 . 2]"
1 108 ARG 20.874 1.415 12 20 [*********-*+********]
1 109 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 THR 0.353 0.187 15 0 "[ . 1 . 2]"
1 115 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 ARG 0.696 0.187 15 0 "[ . 1 . 2]"
1 117 PRO 1.511 0.347 16 0 "[ . 1 . 2]"
1 118 MET 0.344 0.177 18 0 "[ . 1 . 2]"
1 119 LEU 0.206 0.099 5 0 "[ . 1 . 2]"
1 121 SER 0.206 0.099 5 0 "[ . 1 . 2]"
1 122 LEU 18.838 0.924 18 19 "[*** ****-********+**]"
1 124 LYS 1.167 0.347 16 0 "[ . 1 . 2]"
1 125 GLN 0.722 0.722 17 1 "[ . 1 . + 2]"
1 128 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 LEU 17.448 0.924 18 18 "[*** **** *******-+**]"
1 130 PHE 0.038 0.021 4 0 "[ . 1 . 2]"
1 131 PHE 11.583 1.199 16 12 "[ ***.* - ** * .+** *]"
1 132 SER 0.307 0.102 10 0 "[ . 1 . 2]"
1 133 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 THR 0.042 0.026 2 0 "[ . 1 . 2]"
1 136 PRO 0.026 0.026 2 0 "[ . 1 . 2]"
1 137 LEU 2.162 0.210 15 0 "[ . 1 . 2]"
1 138 ALA 27.328 1.415 12 20 [*********-*+********]
1 140 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 103 ILE MG 1 131 PHE QD 4.600 3.603 6.000 4.344 4.169 4.651 . 0 0 "[ . 1 . 2]" 1
2 1 11 VAL QG 1 76 TYR HA 4.600 3.200 6.000 3.232 3.107 3.473 0.093 6 0 "[ . 1 . 2]" 1
3 1 105 PHE HB2 1 138 ALA MB 2.773 2.359 3.187 2.841 2.535 3.085 . 0 0 "[ . 1 . 2]" 1
4 1 81 LEU QB 1 138 ALA MB 4.601 3.999 5.203 2.955 2.584 3.247 1.415 12 20 [*********-*+********] 1
5 1 109 PRO HA 1 111 ALA MB 3.400 2.400 4.400 3.774 3.431 4.091 . 0 0 "[ . 1 . 2]" 1
6 1 25 LEU QD 1 26 SER H 4.600 3.300 5.900 3.988 3.190 4.381 0.110 8 0 "[ . 1 . 2]" 1
7 1 80 VAL HA 1 80 VAL QG 1.943 . 2.180 1.797 1.710 1.859 . 0 0 "[ . 1 . 2]" 1
8 1 11 VAL QG 1 82 GLN H 3.638 3.211 4.065 3.643 3.491 3.805 . 0 0 "[ . 1 . 2]" 1
9 1 75 ARG QD 1 77 VAL QG 4.400 2.800 6.000 3.710 2.857 4.888 . 0 0 "[ . 1 . 2]" 1
10 1 22 LEU MD2 1 23 SER H 4.100 2.200 6.000 2.155 2.086 2.263 0.114 8 0 "[ . 1 . 2]" 1
11 1 21 ASP H 1 22 LEU MD2 3.965 3.454 4.476 4.111 3.883 4.320 . 0 0 "[ . 1 . 2]" 1
12 1 118 MET HA 1 119 LEU QD 5.500 5.000 6.000 5.188 5.111 5.254 . 0 0 "[ . 1 . 2]" 1
13 1 13 ASN QB 1 81 LEU QD 4.510 3.675 6.000 2.254 1.973 2.898 1.702 18 20 [*****-***********+**] 1
14 1 22 LEU MD2 1 137 LEU QB 4.300 2.600 6.000 2.636 2.527 3.496 0.073 19 0 "[ . 1 . 2]" 1
15 1 22 LEU MD2 1 138 ALA MB 2.773 2.356 4.000 2.033 1.968 2.238 0.388 19 0 "[ . 1 . 2]" 1
16 1 100 LYS HB3 1 128 THR MG 3.096 2.679 3.513 3.038 2.693 3.361 . 0 0 "[ . 1 . 2]" 1
17 1 12 THR MG 1 19 LEU HA 2.232 . 2.493 2.026 1.960 2.098 0.011 16 0 "[ . 1 . 2]" 1
18 1 12 THR MG 1 17 GLY HA3 2.929 2.632 6.000 2.965 1.954 3.285 0.678 11 1 "[ . 1+ . 2]" 1
19 1 14 PRO HA 1 14 PRO HG3 3.300 2.550 4.050 2.784 2.581 3.302 . 0 0 "[ . 1 . 2]" 1
20 1 2 LYS QD 1 3 SER HB3 5.084 3.998 6.100 5.910 4.182 6.674 0.574 15 3 "[ . - *+ 2]" 1
21 1 114 THR HA 1 116 ARG HB3 4.800 3.700 5.900 4.332 3.513 5.270 0.187 15 0 "[ . 1 . 2]" 1
22 1 43 MET ME 1 44 SER HA 4.400 2.800 6.000 3.837 2.797 5.004 0.003 13 0 "[ . 1 . 2]" 1
23 1 69 LYS HB2 1 87 ASP HA 3.978 3.394 6.000 3.976 3.779 4.704 . 0 0 "[ . 1 . 2]" 1
24 1 83 LEU HB2 1 84 VAL H 3.900 3.000 4.800 3.478 3.192 3.749 . 0 0 "[ . 1 . 2]" 1
25 1 99 TYR QB 1 100 LYS QB 5.500 5.000 6.000 4.933 4.700 5.144 0.300 10 0 "[ . 1 . 2]" 1
26 1 69 LYS H 1 87 ASP HB3 4.500 3.000 6.000 3.882 3.056 5.359 . 0 0 "[ . 1 . 2]" 1
27 1 4 ASN H 1 5 GLU QG 4.000 2.300 5.700 3.562 2.431 4.431 . 0 0 "[ . 1 . 2]" 1
28 1 69 LYS QD 1 69 LYS HE2 2.650 2.306 2.994 2.314 2.164 2.393 0.142 13 0 "[ . 1 . 2]" 1
29 1 69 LYS QD 1 69 LYS HE3 2.097 . 2.346 2.062 1.938 2.230 . 0 0 "[ . 1 . 2]" 1
30 1 2 LYS QD 1 2 LYS QE 1.800 . 2.100 1.958 1.912 2.057 . 0 0 "[ . 1 . 2]" 1
31 1 52 CYS HB2 1 56 VAL MG1 4.500 3.000 6.000 3.452 3.144 3.800 . 0 0 "[ . 1 . 2]" 1
32 1 122 LEU QD 1 129 LEU H 3.522 3.162 5.000 2.387 2.238 2.758 0.924 18 18 "[*-* **** ********+**]" 1
33 1 81 LEU MD1 1 81 LEU MD2 2.202 . 2.770 1.849 1.836 1.880 . 0 0 "[ . 1 . 2]" 1
34 1 81 LEU QB 1 81 LEU QD 2.800 . 3.700 1.707 1.695 1.738 0.205 2 0 "[ . 1 . 2]" 1
35 1 12 THR MG 1 81 LEU QD 4.629 4.023 6.000 4.270 4.039 4.459 . 0 0 "[ . 1 . 2]" 1
36 1 80 VAL QG 1 106 VAL MG2 2.422 . 7.000 1.935 1.802 2.056 0.010 7 0 "[ . 1 . 2]" 1
37 1 106 VAL QG 1 132 SER QB 4.600 3.200 6.000 3.520 3.098 3.804 0.102 10 0 "[ . 1 . 2]" 1
38 1 91 CYS H 1 98 SER HA 2.600 . 3.200 2.505 2.186 2.804 . 0 0 "[ . 1 . 2]" 1
39 1 8 ASP HA 1 8 ASP QB 2.750 2.150 3.350 2.342 2.159 2.454 . 0 0 "[ . 1 . 2]" 1
40 1 99 TYR QD 1 129 LEU QD 4.100 2.200 6.000 2.509 2.305 2.639 . 0 0 "[ . 1 . 2]" 1
41 1 43 MET ME 1 45 ILE HG13 2.318 2.057 6.000 3.280 2.479 4.076 . 0 0 "[ . 1 . 2]" 1
42 1 103 ILE MG 1 105 PHE HB2 3.616 3.157 4.075 3.262 3.148 3.530 0.009 10 0 "[ . 1 . 2]" 1
43 1 67 VAL QG 1 99 TYR QD 4.090 3.229 5.151 2.651 2.030 3.235 1.199 16 12 "[ ***.* - ** * .+** *]" 1
44 1 43 MET ME 1 103 ILE MG 3.205 2.766 4.244 2.992 2.621 4.002 0.145 8 0 "[ . 1 . 2]" 1
45 1 25 LEU HB2 1 45 ILE MD 5.100 4.200 6.000 4.714 4.122 5.560 0.078 11 0 "[ . 1 . 2]" 1
46 1 60 PHE HZ 1 122 LEU QD 4.000 3.200 6.000 3.433 2.454 4.220 0.746 8 2 "[ . +-1 . 2]" 1
47 1 74 LEU QD 1 105 PHE QD 3.550 3.048 4.052 3.495 2.996 3.950 0.052 20 0 "[ . 1 . 2]" 1
48 1 20 PHE QD 1 81 LEU QD 4.100 2.200 6.000 2.341 2.101 2.617 0.099 5 0 "[ . 1 . 2]" 1
49 1 122 LEU QD 1 130 PHE QD 3.666 3.344 6.000 4.330 4.184 4.516 . 0 0 "[ . 1 . 2]" 1
50 1 33 ALA H 1 117 PRO HG2 3.600 2.400 4.600 2.664 2.053 3.215 0.347 16 0 "[ . 1 . 2]" 1
51 1 22 LEU H 1 74 LEU QD 3.348 2.787 3.909 3.043 2.836 3.340 . 0 0 "[ . 1 . 2]" 1
52 1 22 LEU MD2 1 137 LEU QD 4.100 2.200 6.000 2.153 1.990 2.714 0.210 15 0 "[ . 1 . 2]" 1
53 1 103 ILE MD 1 103 ILE HG12 2.849 2.003 3.195 1.983 1.976 1.990 0.027 6 0 "[ . 1 . 2]" 1
54 1 13 ASN QB 1 20 PHE QE 3.600 2.200 5.000 2.252 1.840 3.886 0.360 12 0 "[ . 1 . 2]" 1
55 1 12 THR MG 1 20 PHE QE 3.446 3.149 6.000 4.434 4.007 5.134 . 0 0 "[ . 1 . 2]" 1
56 1 106 VAL HA 1 135 THR MG 3.643 3.134 4.152 3.749 3.468 4.168 0.016 4 0 "[ . 1 . 2]" 1
57 1 135 THR MG 1 136 PRO HD2 4.091 3.599 4.583 3.757 3.573 3.985 0.026 2 0 "[ . 1 . 2]" 1
58 1 105 PHE HA 1 135 THR MG 3.163 2.773 3.553 2.917 2.802 2.991 . 0 0 "[ . 1 . 2]" 1
59 1 25 LEU QD 1 105 PHE HD1 4.800 3.600 6.000 4.116 3.369 4.617 0.231 14 0 "[ . 1 . 2]" 1
60 1 91 CYS HB3 1 93 SER H 3.400 . 4.800 2.522 1.955 2.806 0.045 12 0 "[ . 1 . 2]" 1
61 1 91 CYS HB2 1 93 SER H 3.400 . 5.300 2.748 2.306 3.041 . 0 0 "[ . 1 . 2]" 1
62 1 11 VAL QG 1 75 ARG H 3.363 2.950 3.776 3.179 2.929 3.570 0.021 4 0 "[ . 1 . 2]" 1
63 1 102 VAL MG2 1 130 PHE QD 3.562 3.129 3.995 3.558 3.321 3.975 . 0 0 "[ . 1 . 2]" 1
64 1 20 PHE QE 1 140 GLU HG2 3.800 2.400 5.200 3.694 2.597 5.018 . 0 0 "[ . 1 . 2]" 1
65 1 109 PRO HB3 1 111 ALA MB 5.017 3.998 6.036 4.887 4.244 5.391 . 0 0 "[ . 1 . 2]" 1
66 1 48 GLU HB2 1 56 VAL MG2 4.174 3.137 6.000 3.658 2.415 4.024 0.722 17 1 "[ . 1 . + 2]" 1
67 1 122 LEU QD 1 129 LEU HB3 2.805 2.265 3.345 2.204 2.177 2.262 0.088 15 0 "[ . 1 . 2]" 1
68 1 47 GLY H 1 83 LEU MD2 4.152 3.562 6.000 4.783 4.229 5.475 . 0 0 "[ . 1 . 2]" 1
69 1 42 TYR HB2 1 51 ASN HB3 3.700 2.300 5.100 3.793 3.116 4.774 . 0 0 "[ . 1 . 2]" 1
70 1 46 CYS HA 1 83 LEU MD1 4.400 2.800 6.000 3.153 2.736 3.717 0.064 10 0 "[ . 1 . 2]" 1
71 1 41 VAL MG1 1 131 PHE QD 4.800 3.600 6.000 4.423 3.806 4.988 . 0 0 "[ . 1 . 2]" 1
72 1 22 LEU MD2 1 25 LEU H 3.441 3.024 3.858 3.256 3.010 3.405 0.014 14 0 "[ . 1 . 2]" 1
73 1 81 LEU HG 1 138 ALA H 4.560 3.989 5.131 4.329 4.117 4.476 . 0 0 "[ . 1 . 2]" 1
74 1 109 PRO QG 1 110 GLU H 2.978 2.709 6.000 3.873 3.240 4.260 . 0 0 "[ . 1 . 2]" 1
75 1 73 ARG HB3 1 74 LEU H 3.400 2.100 4.700 2.840 2.423 3.398 . 0 0 "[ . 1 . 2]" 1
76 1 4 ASN H 1 5 GLU H 3.400 2.100 4.500 2.368 2.054 2.928 0.046 20 0 "[ . 1 . 2]" 1
77 1 10 GLN H 1 19 LEU QD 4.839 4.287 5.391 3.233 2.736 3.734 1.551 19 20 [****-*************+*] 1
78 1 14 PRO HA 1 15 SER H 3.200 2.500 3.900 3.334 2.606 3.505 . 0 0 "[ . 1 . 2]" 1
79 1 4 ASN QB 1 4 ASN HD21 3.100 2.100 4.000 2.250 2.138 2.803 . 0 0 "[ . 1 . 2]" 1
80 1 116 ARG HG2 1 118 MET H 5.099 4.574 5.624 4.767 4.397 4.969 0.177 18 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1838
_Distance_constraint_stats_list.Viol_count 3622
_Distance_constraint_stats_list.Viol_total 11330.787
_Distance_constraint_stats_list.Viol_max 1.626
_Distance_constraint_stats_list.Viol_rms 0.0875
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0154
_Distance_constraint_stats_list.Viol_average_violations_only 0.1564
_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 2 LYS 0.872 0.199 20 0 "[ . 1 . 2]"
1 3 SER 0.593 0.465 3 0 "[ . 1 . 2]"
1 4 ASN 8.439 1.122 15 6 "[ .*-* ** + 2]"
1 5 GLU 6.928 1.122 15 6 "[ .*-* ** + 2]"
1 6 HIS 0.121 0.090 3 0 "[ . 1 . 2]"
1 7 ASP 0.685 0.657 13 1 "[ . 1 + . 2]"
1 8 ASP 8.278 1.219 2 9 "[-+ * * ** * * *2]"
1 9 CYS 1.863 0.629 16 1 "[ . 1 .+ 2]"
1 10 GLN 4.868 0.441 12 0 "[ . 1 . 2]"
1 11 VAL 12.567 0.664 18 5 "[ *. * - * + 2]"
1 12 THR 1.029 0.053 4 0 "[ . 1 . 2]"
1 13 ASN 3.988 0.629 15 2 "[ .- 1 + 2]"
1 14 PRO 3.403 0.432 6 0 "[ . 1 . 2]"
1 15 SER 2.905 0.405 1 0 "[ . 1 . 2]"
1 16 THR 2.423 0.432 6 0 "[ . 1 . 2]"
1 17 GLY 0.389 0.132 14 0 "[ . 1 . 2]"
1 18 HIS 1.894 0.494 10 0 "[ . 1 . 2]"
1 19 LEU 30.732 1.626 16 9 "[- ** ** * .+* *2]"
1 20 PHE 8.061 0.664 18 4 "[ *. * - . + 2]"
1 21 ASP 22.601 1.626 16 13 "[-**** * ** * .+***2]"
1 22 LEU 13.372 0.793 19 8 "[ ** * * 1 * - *+2]"
1 23 SER 9.946 0.945 5 7 "[ *- + * 1* .* * 2]"
1 24 SER 6.622 0.504 5 1 "[ + 1 . 2]"
1 25 LEU 17.504 1.082 14 5 "[ .- 1 *+* *2]"
1 26 SER 3.384 0.945 5 2 "[ + 1 .- 2]"
1 27 GLY 0.749 0.332 9 0 "[ . 1 . 2]"
1 28 ARG 0.284 0.114 4 0 "[ . 1 . 2]"
1 29 ALA 2.610 0.622 5 2 "[ + 1 - . 2]"
1 30 GLY 1.643 0.217 9 0 "[ . 1 . 2]"
1 31 PHE 0.630 0.062 4 0 "[ . 1 . 2]"
1 32 THR 0.330 0.043 3 0 "[ . 1 . 2]"
1 33 ALA 3.727 0.708 17 3 "[ . 1 -* . + 2]"
1 34 ALA 0.119 0.036 16 0 "[ . 1 . 2]"
1 35 TYR 6.182 1.111 5 1 "[ + 1 . 2]"
1 36 ALA 0.277 0.044 19 0 "[ . 1 . 2]"
1 37 LYS 3.707 0.648 3 3 "[ + . - 1 . *2]"
1 38 GLY 2.065 0.648 3 1 "[ + . 1 . 2]"
1 39 TRP 0.779 0.100 16 0 "[ . 1 . 2]"
1 40 GLY 3.551 1.111 5 1 "[ + 1 . 2]"
1 41 VAL 3.164 0.712 15 2 "[ . 1 -+ 2]"
1 42 TYR 0.711 0.119 4 0 "[ . 1 . 2]"
1 43 MET 2.363 0.321 19 0 "[ . 1 . 2]"
1 44 SER 2.854 0.379 13 0 "[ . 1 . 2]"
1 45 ILE 7.942 1.082 14 1 "[ . 1 +. 2]"
1 46 CYS 7.813 1.133 6 4 "[ .+* 1 -* 2]"
1 47 GLY 0.340 0.046 11 0 "[ . 1 . 2]"
1 48 GLU 13.973 1.583 5 12 "[* *+ ***1 **** -*]"
1 49 ASN 4.656 1.285 10 2 "[ - . + . 2]"
1 50 GLU 18.389 1.285 10 4 "[ * + * . *]"
1 51 ASN 2.893 0.841 14 2 "[- . 1 +. 2]"
1 52 CYS 5.507 0.551 20 2 "[ . - . +]"
1 53 PRO 0.497 0.130 2 0 "[ . 1 . 2]"
1 54 PRO 8.669 0.755 12 2 "[ . - 1 + . 2]"
1 55 GLY 16.669 1.583 5 11 "[* *+ ***1 *** -*]"
1 56 VAL 2.482 0.825 2 1 "[ + . 1 . 2]"
1 57 GLY 0.133 0.022 1 0 "[ . 1 . 2]"
1 58 ALA 2.113 0.712 15 2 "[ . 1 -+ 2]"
1 59 CYS 1.794 0.825 2 1 "[ + . 1 . 2]"
1 60 PHE 8.138 1.009 13 7 "[ * *. **- *+ . 2]"
1 61 GLY 0.295 0.042 4 0 "[ . 1 . 2]"
1 62 GLN 0.293 0.293 5 0 "[ . 1 . 2]"
1 63 THR 0.095 0.047 18 0 "[ . 1 . 2]"
1 64 ARG 0.231 0.087 16 0 "[ . 1 . 2]"
1 65 ILE 3.335 0.569 6 2 "[- .+ 1 . 2]"
1 66 SER 0.272 0.167 2 0 "[ . 1 . 2]"
1 67 VAL 44.766 1.119 8 20 [*******+********-***]
1 68 GLY 3.068 0.437 6 0 "[ . 1 . 2]"
1 69 LYS 4.595 0.539 3 2 "[ + . 1 . -]"
1 70 ALA 2.578 0.537 20 1 "[ . 1 . +]"
1 71 ASN 3.027 0.987 9 3 "[ . +1 . -*2]"
1 72 LYS 13.313 1.219 2 9 "[-+ *** 1* ** *2]"
1 73 ARG 2.765 0.729 8 1 "[ . + 1 . 2]"
1 74 LEU 8.408 0.729 8 1 "[ . + 1 . 2]"
1 75 ARG 4.587 0.918 5 4 "[ + 1- *. *2]"
1 76 TYR 8.471 0.588 6 1 "[ .+ 1 . 2]"
1 77 VAL 5.691 0.722 5 3 "[ + 1 * . - 2]"
1 78 ASP 3.528 0.722 5 3 "[ + 1 * . - 2]"
1 79 GLN 3.976 0.922 13 4 "[ -* * 1 + . 2]"
1 80 VAL 19.620 1.200 9 18 "[** *-***+********* *]"
1 81 LEU 28.210 0.867 2 20 [*+************-*****]
1 82 GLN 2.427 0.221 10 0 "[ . 1 . 2]"
1 83 LEU 1.277 0.100 1 0 "[ . 1 . 2]"
1 84 VAL 14.218 0.918 5 8 "[ ** + *1* -*. *2]"
1 85 TYR 11.211 0.764 8 4 "[ * . +*1 - . 2]"
1 86 LYS 6.728 0.987 9 4 "[ - . +1 * * 2]"
1 87 ASP 1.078 0.357 11 0 "[ . 1 . 2]"
1 88 GLY 0.284 0.040 18 0 "[ . 1 . 2]"
1 89 SER 0.103 0.045 13 0 "[ . 1 . 2]"
1 90 PRO 0.005 0.005 3 0 "[ . 1 . 2]"
1 91 CYS 0.940 0.421 2 0 "[ . 1 . 2]"
1 92 PRO 1.502 0.334 4 0 "[ . 1 . 2]"
1 93 SER 0.076 0.029 7 0 "[ . 1 . 2]"
1 94 LYS 4.656 0.818 3 4 "[ + . * - . * 2]"
1 95 SER 4.611 0.818 3 4 "[ + . * - . * 2]"
1 96 GLY 0.728 0.384 7 0 "[ . 1 . 2]"
1 97 LEU 2.492 0.421 2 0 "[ . 1 . 2]"
1 98 SER 0.904 0.155 10 0 "[ . 1 . 2]"
1 99 TYR 31.492 1.119 8 20 [-******+************]
1 100 LYS 15.626 0.883 13 9 "[ - ****** + . * 2]"
1 101 SER 15.699 0.883 13 10 "[ *- ****** + . * 2]"
1 102 VAL 0.615 0.134 7 0 "[ . 1 . 2]"
1 103 ILE 1.563 0.049 12 0 "[ . 1 . 2]"
1 104 SER 31.776 1.200 9 20 [**-*****+***********]
1 105 PHE 11.672 0.817 15 4 "[ - . 1 *+ *2]"
1 106 VAL 15.851 1.612 16 1 "[ . 1 .+ 2]"
1 107 CYS 5.622 0.554 14 2 "[ . 1 +. -2]"
1 108 ARG 3.268 0.264 19 0 "[ . 1 . 2]"
1 109 PRO 4.600 0.551 7 1 "[ . + 1 . 2]"
1 110 GLU 21.173 1.145 1 20 [+*****-*************]
1 111 ALA 4.155 0.787 12 3 "[ . 1*+ . - 2]"
1 112 GLY 1.494 0.548 8 1 "[ . + 1 . 2]"
1 113 PRO 3.086 0.919 12 2 "[ . - 1 + . 2]"
1 114 THR 1.988 0.919 12 2 "[ . - 1 + . 2]"
1 115 ASN 6.591 0.787 12 3 "[ . 1 + . *- 2]"
1 116 ARG 1.871 0.193 10 0 "[ . 1 . 2]"
1 117 PRO 3.493 0.708 17 3 "[ . 1 -* . + 2]"
1 118 MET 3.681 0.462 10 0 "[ . 1 . 2]"
1 119 LEU 26.934 0.801 9 12 "[* - .** +1 ***. ****]"
1 120 ILE 0.938 0.128 10 0 "[ . 1 . 2]"
1 121 SER 9.051 0.475 12 0 "[ . 1 . 2]"
1 122 LEU 39.069 1.146 11 19 "[*********-+**** ****]"
1 123 ASP 1.405 0.341 4 0 "[ . 1 . 2]"
1 124 LYS 20.592 1.146 11 17 "[*** * -***+********2]"
1 125 GLN 1.897 0.454 13 0 "[ . 1 . 2]"
1 126 THR 0.350 0.050 10 0 "[ . 1 . 2]"
1 127 CYS 1.662 0.256 5 0 "[ . 1 . 2]"
1 128 THR 3.581 0.408 11 0 "[ . 1 . 2]"
1 129 LEU 39.057 1.116 4 20 [***+************-***]
1 130 PHE 3.513 1.116 4 2 "[ +. -1 . 2]"
1 131 PHE 8.436 0.801 9 1 "[ . +1 . 2]"
1 132 SER 3.500 0.640 10 2 "[ - . + . 2]"
1 133 TRP 9.071 0.961 14 5 "[ - . * +. * *2]"
1 134 HIS 3.478 1.612 16 1 "[ . 1 .+ 2]"
1 135 THR 6.275 1.329 16 1 "[ . 1 .+ 2]"
1 136 PRO 1.837 0.785 11 1 "[ . 1+ . 2]"
1 137 LEU 21.570 0.579 4 3 "[ +.- 1 * . 2]"
1 138 ALA 9.054 0.579 4 1 "[ +. 1 . 2]"
1 139 CYS 4.674 0.554 14 2 "[ . 1 +. -2]"
1 140 GLU 3.117 0.582 10 1 "[ . + . 2]"
1 141 LEU 4.162 0.466 3 0 "[ . 1 . 2]"
1 142 ALA 0.589 0.248 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 PHE H 1 20 PHE QD 3.700 2.600 4.800 2.732 2.572 2.999 0.028 8 0 "[ . 1 . 2]" 2
2 1 20 PHE QD 1 138 ALA HA 3.578 2.800 6.000 3.226 2.769 5.575 0.031 7 0 "[ . 1 . 2]" 2
3 1 20 PHE HB2 1 20 PHE QD 3.000 2.200 3.800 2.330 2.233 2.458 . 0 0 "[ . 1 . 2]" 2
4 1 20 PHE HB3 1 20 PHE QD 3.000 2.200 3.800 2.442 2.328 2.529 . 0 0 "[ . 1 . 2]" 2
5 1 11 VAL QG 1 20 PHE QD 4.600 3.200 6.000 3.150 2.536 4.334 0.664 18 4 "[ *. * - . + 2]" 2
6 1 20 PHE QD 1 81 LEU QD 4.200 2.400 6.000 2.871 2.285 4.120 0.115 5 0 "[ . 1 . 2]" 2
7 1 20 PHE HA 1 20 PHE QD 3.300 2.200 4.400 2.783 2.531 3.027 . 0 0 "[ . 1 . 2]" 2
8 1 129 LEU QD 1 131 PHE QE 3.600 2.700 4.500 2.881 2.680 3.205 0.020 3 0 "[ . 1 . 2]" 2
9 1 131 PHE HB2 1 131 PHE QD 3.000 . 4.000 2.326 2.270 2.389 . 0 0 "[ . 1 . 2]" 2
10 1 41 VAL MG1 1 60 PHE QE 2.602 2.284 6.000 4.518 3.582 5.324 . 0 0 "[ . 1 . 2]" 2
11 1 119 LEU QD 1 131 PHE QD 5.000 4.000 6.000 3.775 3.199 4.000 0.801 9 1 "[ . +1 . 2]" 2
12 1 130 PHE HB3 1 130 PHE QD 3.696 2.402 4.090 2.407 2.381 2.475 0.021 2 0 "[ . 1 . 2]" 2
13 1 102 VAL MG1 1 130 PHE QD 3.394 2.820 4.468 2.996 2.802 3.318 0.018 2 0 "[ . 1 . 2]" 2
14 1 60 PHE QD 1 67 VAL QG 3.250 2.668 4.132 3.297 2.901 3.578 . 0 0 "[ . 1 . 2]" 2
15 1 60 PHE QE 1 67 VAL QG 4.800 3.800 5.800 4.704 4.250 4.962 . 0 0 "[ . 1 . 2]" 2
16 1 60 PHE QD 1 65 ILE HB 4.096 3.037 5.155 3.452 3.173 3.908 . 0 0 "[ . 1 . 2]" 2
17 1 35 TYR HA 1 35 TYR QD 3.500 . 5.000 2.851 2.506 3.755 . 0 0 "[ . 1 . 2]" 2
18 1 35 TYR QD 1 60 PHE QE 5.000 4.000 6.000 4.270 3.949 5.396 0.051 18 0 "[ . 1 . 2]" 2
19 1 35 TYR QB 1 35 TYR QD 3.635 2.227 3.801 2.134 2.115 2.144 0.112 1 0 "[ . 1 . 2]" 2
20 1 76 TYR QB 1 76 TYR QD 3.497 2.300 3.848 2.151 2.121 2.187 0.179 4 0 "[ . 1 . 2]" 2
21 1 35 TYR QE 1 60 PHE QD 4.500 3.000 6.000 5.520 4.678 6.020 0.020 14 0 "[ . 1 . 2]" 2
22 1 31 PHE HB3 1 31 PHE QD 3.585 2.210 3.960 2.373 2.293 2.479 . 0 0 "[ . 1 . 2]" 2
23 1 31 PHE HB2 1 31 PHE QD 3.635 2.249 4.021 2.407 2.310 2.526 . 0 0 "[ . 1 . 2]" 2
24 1 42 TYR HB2 1 42 TYR QD 3.397 2.382 3.812 2.425 2.350 2.583 0.032 12 0 "[ . 1 . 2]" 2
25 1 130 PHE HA 1 130 PHE QD 4.400 2.800 6.000 2.929 2.792 3.044 0.008 9 0 "[ . 1 . 2]" 2
26 1 130 PHE H 1 130 PHE QD 4.014 2.541 5.200 2.623 2.526 2.967 0.015 15 0 "[ . 1 . 2]" 2
27 1 60 PHE QD 1 61 GLY H 4.389 2.922 4.856 3.796 3.308 4.033 . 0 0 "[ . 1 . 2]" 2
28 1 85 TYR QE 1 85 TYR HH 2.800 2.200 3.400 2.386 2.333 2.453 . 0 0 "[ . 1 . 2]" 2
29 1 45 ILE HA 1 85 TYR QE 4.500 3.500 5.500 3.845 3.516 4.175 . 0 0 "[ . 1 . 2]" 2
30 1 46 CYS H 1 85 TYR QE 4.200 3.100 5.300 3.463 3.209 3.652 . 0 0 "[ . 1 . 2]" 2
31 1 39 TRP H 1 39 TRP HD1 4.100 2.600 5.600 4.103 2.740 5.189 . 0 0 "[ . 1 . 2]" 2
32 1 39 TRP HB3 1 39 TRP HD1 4.041 2.616 4.866 3.345 2.671 3.882 . 0 0 "[ . 1 . 2]" 2
33 1 39 TRP HB2 1 39 TRP HD1 2.961 2.516 3.806 3.218 2.517 3.891 0.085 17 0 "[ . 1 . 2]" 2
34 1 39 TRP HH2 1 39 TRP HZ3 2.654 2.351 3.157 2.437 2.420 2.442 . 0 0 "[ . 1 . 2]" 2
35 1 133 TRP HD1 1 135 THR HB . 2.200 3.000 2.261 2.147 2.591 0.053 12 0 "[ . 1 . 2]" 2
36 1 133 TRP HD1 1 134 HIS H 3.232 2.696 3.668 2.742 2.650 3.015 0.046 9 0 "[ . 1 . 2]" 2
37 1 131 PHE H 1 131 PHE QD 4.316 2.857 4.775 2.963 2.851 3.137 0.006 15 0 "[ . 1 . 2]" 2
38 1 105 PHE QE 1 135 THR MG 4.820 3.792 5.848 4.015 3.789 4.308 0.003 13 0 "[ . 1 . 2]" 2
39 1 106 VAL QG 1 134 HIS HE1 4.500 3.000 6.000 4.053 2.694 5.357 0.306 19 0 "[ . 1 . 2]" 2
40 1 105 PHE QE 1 133 TRP HZ3 4.120 3.739 6.000 4.677 3.851 5.535 . 0 0 "[ . 1 . 2]" 2
41 1 40 GLY H 1 40 GLY HA2 2.600 2.100 3.100 2.820 2.605 2.930 . 0 0 "[ . 1 . 2]" 2
42 1 40 GLY H 1 40 GLY HA3 2.600 2.100 3.100 2.549 2.301 2.917 . 0 0 "[ . 1 . 2]" 2
43 1 88 GLY H 1 88 GLY HA3 2.700 2.200 3.200 2.413 2.294 2.677 . 0 0 "[ . 1 . 2]" 2
44 1 31 PHE HA 1 31 PHE HB3 2.750 2.250 3.250 2.829 2.475 3.042 . 0 0 "[ . 1 . 2]" 2
45 1 74 LEU H 1 74 LEU HB3 2.900 2.150 3.650 2.914 2.443 3.564 . 0 0 "[ . 1 . 2]" 2
46 1 122 LEU HA 1 122 LEU HB2 2.800 2.300 3.300 2.602 2.417 2.648 . 0 0 "[ . 1 . 2]" 2
47 1 122 LEU HA 1 122 LEU HB3 2.800 2.300 3.300 3.024 2.998 3.037 . 0 0 "[ . 1 . 2]" 2
48 1 74 LEU HB3 1 83 LEU MD2 3.302 2.972 4.400 4.013 3.655 4.415 0.015 9 0 "[ . 1 . 2]" 2
49 1 122 LEU HB2 1 122 LEU QD 2.952 2.590 3.314 2.276 2.230 2.453 0.360 13 0 "[ . 1 . 2]" 2
50 1 122 LEU HB3 1 122 LEU QD 2.533 2.153 2.913 2.406 2.262 2.456 . 0 0 "[ . 1 . 2]" 2
51 1 74 LEU HB3 1 74 LEU QD 3.100 2.350 3.850 2.164 2.056 2.295 0.294 12 0 "[ . 1 . 2]" 2
52 1 49 ASN H 1 49 ASN HB3 2.600 2.100 3.100 2.699 2.480 3.631 0.531 3 1 "[ + . 1 . 2]" 2
53 1 49 ASN HB3 1 49 ASN QD 3.100 2.200 4.000 2.901 2.179 3.346 0.021 15 0 "[ . 1 . 2]" 2
54 1 75 ARG HB3 1 75 ARG HD2 2.164 . 6.000 3.261 2.478 3.744 . 0 0 "[ . 1 . 2]" 2
55 1 75 ARG HD2 1 84 VAL QG 4.527 3.965 5.589 4.433 3.047 6.063 0.918 5 4 "[ + 1- *. *2]" 2
56 1 45 ILE MG 1 46 CYS H 3.114 2.625 3.603 3.169 2.890 3.492 . 0 0 "[ . 1 . 2]" 2
57 1 45 ILE MG 1 46 CYS QB 4.300 2.800 6.000 2.787 2.402 3.313 0.398 15 0 "[ . 1 . 2]" 2
58 1 120 ILE HB 1 120 ILE MG 2.843 . 4.100 2.131 2.126 2.138 . 0 0 "[ . 1 . 2]" 2
59 1 25 LEU HB2 1 45 ILE MG 3.600 2.200 5.000 2.703 2.236 3.657 . 0 0 "[ . 1 . 2]" 2
60 1 120 ILE HG13 1 120 ILE MG 2.473 . 3.500 2.345 2.327 2.387 . 0 0 "[ . 1 . 2]" 2
61 1 25 LEU QD 1 45 ILE MG 4.500 3.000 6.000 3.156 1.918 3.660 1.082 14 1 "[ . 1 +. 2]" 2
62 1 22 LEU MD1 1 45 ILE MG 4.300 2.600 6.000 3.107 2.583 3.583 0.017 12 0 "[ . 1 . 2]" 2
63 1 138 ALA HA 1 138 ALA MB 2.848 . 3.144 2.136 2.126 2.147 . 0 0 "[ . 1 . 2]" 2
64 1 107 CYS HA 1 138 ALA MB 2.800 . 4.100 2.446 2.038 3.270 . 0 0 "[ . 1 . 2]" 2
65 1 29 ALA HA 1 29 ALA MB 2.298 . 2.537 2.142 2.123 2.153 . 0 0 "[ . 1 . 2]" 2
66 1 29 ALA MB 1 30 GLY H 2.869 2.417 3.221 2.765 2.567 3.092 . 0 0 "[ . 1 . 2]" 2
67 1 77 VAL QG 1 78 ASP H 3.900 2.800 5.000 3.422 2.723 3.669 0.077 5 0 "[ . 1 . 2]" 2
68 1 106 VAL QG 1 133 TRP H 3.668 3.201 4.135 3.537 3.296 3.996 . 0 0 "[ . 1 . 2]" 2
69 1 106 VAL H 1 106 VAL QG 2.813 2.155 3.171 2.258 1.926 2.505 0.229 16 0 "[ . 1 . 2]" 2
70 1 106 VAL QG 1 134 HIS HA 4.205 3.773 5.500 3.702 2.161 3.904 1.612 16 1 "[ . 1 .+ 2]" 2
71 1 59 CYS HA 1 67 VAL QG 4.000 . 6.000 2.598 2.419 2.802 . 0 0 "[ . 1 . 2]" 2
72 1 105 PHE HA 1 106 VAL QG 3.671 3.239 4.103 3.554 3.325 3.692 . 0 0 "[ . 1 . 2]" 2
73 1 67 VAL HA 1 67 VAL QG 3.100 2.200 4.000 2.365 2.287 2.401 . 0 0 "[ . 1 . 2]" 2
74 1 106 VAL HA 1 106 VAL QG 3.600 2.200 5.000 2.162 2.142 2.277 0.058 20 0 "[ . 1 . 2]" 2
75 1 66 SER HA 1 67 VAL QG 4.300 3.000 5.600 3.722 3.428 3.825 . 0 0 "[ . 1 . 2]" 2
76 1 77 VAL HA 1 77 VAL QG 2.235 . 2.474 2.284 2.213 2.415 . 0 0 "[ . 1 . 2]" 2
77 1 104 SER QB 1 106 VAL QG 3.762 3.360 4.734 3.192 2.924 3.387 0.436 3 0 "[ . 1 . 2]" 2
78 1 77 VAL QG 1 78 ASP HB2 4.400 3.500 5.300 3.886 2.778 4.542 0.722 5 3 "[ + 1 * . - 2]" 2
79 1 67 VAL QG 1 99 TYR QB 4.400 2.900 5.000 1.871 1.781 2.078 1.119 8 20 [*******+********-***] 2
80 1 77 VAL QG 1 78 ASP HB3 4.400 3.500 5.300 3.886 3.005 5.077 0.495 13 0 "[ . 1 . 2]" 2
81 1 67 VAL H 1 67 VAL QG 2.346 2.100 2.724 2.162 2.092 2.272 0.008 8 0 "[ . 1 . 2]" 2
82 1 105 PHE HB3 1 138 ALA MB 2.531 2.073 2.989 2.622 2.078 3.024 0.035 2 0 "[ . 1 . 2]" 2
83 1 34 ALA MB 1 35 TYR HA 5.000 4.000 6.000 4.186 4.011 4.379 . 0 0 "[ . 1 . 2]" 2
84 1 34 ALA HA 1 34 ALA MB 2.876 2.012 3.140 2.132 2.125 2.145 . 0 0 "[ . 1 . 2]" 2
85 1 111 ALA HA 1 111 ALA MB 2.773 . 7.000 2.127 2.096 2.162 . 0 0 "[ . 1 . 2]" 2
86 1 67 VAL MG1 1 67 VAL MG2 2.874 . 7.300 2.059 2.010 2.091 . 0 0 "[ . 1 . 2]" 2
87 1 58 ALA MB 1 67 VAL QG 4.100 . 6.000 2.046 1.977 2.249 0.023 3 0 "[ . 1 . 2]" 2
88 1 83 LEU H 1 84 VAL QG 4.458 3.900 6.000 4.612 3.907 5.100 . 0 0 "[ . 1 . 2]" 2
89 1 106 VAL QG 1 135 THR H 4.700 4.685 6.000 4.459 3.356 4.669 1.329 16 1 "[ . 1 .+ 2]" 2
90 1 33 ALA MB 1 41 VAL H 4.300 3.200 5.400 3.543 3.190 3.989 0.010 13 0 "[ . 1 . 2]" 2
91 1 41 VAL H 1 41 VAL MG2 3.500 . 5.000 2.710 2.143 3.972 . 0 0 "[ . 1 . 2]" 2
92 1 84 VAL HA 1 84 VAL QG 2.810 2.348 3.176 2.293 2.140 2.380 0.208 7 0 "[ . 1 . 2]" 2
93 1 33 ALA MB 1 118 MET HA 5.000 4.000 6.000 4.874 3.976 5.448 0.024 5 0 "[ . 1 . 2]" 2
94 1 25 LEU HA 1 25 LEU QD 3.500 . 5.000 2.141 1.998 3.454 0.002 11 0 "[ . 1 . 2]" 2
95 1 41 VAL HA 1 41 VAL MG2 2.853 . 3.708 2.442 2.360 2.544 . 0 0 "[ . 1 . 2]" 2
96 1 84 VAL QG 1 102 VAL HA 2.964 2.620 6.000 2.863 2.486 3.226 0.134 7 0 "[ . 1 . 2]" 2
97 1 16 THR HB 1 16 THR MG 3.000 2.100 3.900 2.144 2.137 2.158 . 0 0 "[ . 1 . 2]" 2
98 1 33 ALA MB 1 41 VAL HB . 2.500 4.500 2.966 2.416 4.509 0.084 3 0 "[ . 1 . 2]" 2
99 1 102 VAL HA 1 102 VAL MG2 2.178 . 2.510 2.424 2.386 2.459 . 0 0 "[ . 1 . 2]" 2
100 1 11 VAL QG 1 20 PHE HB2 4.200 2.400 6.000 3.313 2.555 3.795 . 0 0 "[ . 1 . 2]" 2
101 1 100 LYS QE 1 102 VAL MG2 4.300 2.600 6.000 4.399 2.663 5.711 . 0 0 "[ . 1 . 2]" 2
102 1 81 LEU QD 1 137 LEU QD 3.732 2.977 6.000 4.424 3.450 5.025 . 0 0 "[ . 1 . 2]" 2
103 1 22 LEU MD2 1 137 LEU QD 4.300 2.600 6.000 2.727 2.286 3.133 0.314 2 0 "[ . 1 . 2]" 2
104 1 25 LEU MD1 1 25 LEU MD2 2.611 . 4.000 2.073 2.043 2.091 . 0 0 "[ . 1 . 2]" 2
105 1 22 LEU H 1 22 LEU MD2 3.671 3.168 4.174 3.831 3.746 3.940 . 0 0 "[ . 1 . 2]" 2
106 1 22 LEU HA 1 22 LEU MD2 3.400 . 4.800 2.063 2.011 2.115 . 0 0 "[ . 1 . 2]" 2
107 1 22 LEU MD2 1 137 LEU HA 5.300 4.600 6.000 4.927 4.680 5.361 . 0 0 "[ . 1 . 2]" 2
108 1 67 VAL HB 1 67 VAL QG 2.500 . 2.751 1.875 1.852 1.903 0.148 9 0 "[ . 1 . 2]" 2
109 1 22 LEU HB3 1 22 LEU MD2 2.940 2.368 4.000 2.381 2.353 2.434 0.015 6 0 "[ . 1 . 2]" 2
110 1 22 LEU HB2 1 22 LEU MD2 2.686 2.154 3.500 3.200 3.185 3.214 . 0 0 "[ . 1 . 2]" 2
111 1 22 LEU MD2 1 135 THR MG 2.802 . 4.400 2.807 2.210 3.184 . 0 0 "[ . 1 . 2]" 2
112 1 67 VAL QG 1 129 LEU QD 4.000 3.000 4.000 2.001 1.929 2.211 1.071 8 20 [*******+********-***] 2
113 1 128 THR MG 1 129 LEU H 2.804 . 3.154 2.847 2.699 3.095 . 0 0 "[ . 1 . 2]" 2
114 1 128 THR HA 1 128 THR MG 2.316 . 2.654 2.322 2.285 2.354 . 0 0 "[ . 1 . 2]" 2
115 1 128 THR HB 1 128 THR MG 2.019 . 2.363 2.145 2.137 2.152 . 0 0 "[ . 1 . 2]" 2
116 1 100 LYS HE3 1 128 THR MG 4.800 3.600 6.000 4.902 3.819 5.716 . 0 0 "[ . 1 . 2]" 2
117 1 100 LYS HG2 1 128 THR MG 4.200 2.700 5.700 3.942 3.076 5.547 . 0 0 "[ . 1 . 2]" 2
118 1 56 VAL MG2 1 57 GLY H 3.800 2.200 5.400 4.026 3.941 4.105 . 0 0 "[ . 1 . 2]" 2
119 1 56 VAL HA 1 56 VAL MG2 2.859 . 4.000 2.417 2.343 2.497 . 0 0 "[ . 1 . 2]" 2
120 1 53 PRO HB2 1 56 VAL MG2 4.300 2.100 6.000 2.505 1.970 3.331 0.130 2 0 "[ . 1 . 2]" 2
121 1 56 VAL HB 1 56 VAL MG2 2.837 . 3.400 2.130 2.121 2.134 . 0 0 "[ . 1 . 2]" 2
122 1 53 PRO HG3 1 56 VAL MG2 3.500 . 5.000 4.257 3.214 5.007 0.007 15 0 "[ . 1 . 2]" 2
123 1 32 THR MG 1 41 VAL H 3.536 3.097 6.000 3.440 3.054 4.098 0.043 3 0 "[ . 1 . 2]" 2
124 1 12 THR MG 1 13 ASN H 3.500 2.600 4.400 2.868 2.589 3.136 0.011 1 0 "[ . 1 . 2]" 2
125 1 12 THR H 1 12 THR MG 3.423 3.061 5.000 3.816 3.775 3.916 . 0 0 "[ . 1 . 2]" 2
126 1 80 VAL H 1 80 VAL QG 3.500 2.400 4.800 2.484 2.258 2.793 0.142 7 0 "[ . 1 . 2]" 2
127 1 12 THR HA 1 12 THR MG 2.302 . 2.632 2.305 2.257 2.357 . 0 0 "[ . 1 . 2]" 2
128 1 32 THR HA 1 32 THR MG 2.375 2.029 2.721 2.344 2.255 2.394 . 0 0 "[ . 1 . 2]" 2
129 1 114 THR HA 1 114 THR MG 2.291 2.067 2.515 2.242 2.119 2.340 . 0 0 "[ . 1 . 2]" 2
130 1 32 THR HB 1 32 THR MG 2.081 . 2.371 2.147 2.141 2.154 . 0 0 "[ . 1 . 2]" 2
131 1 12 THR HB 1 12 THR MG 2.985 2.111 3.559 2.146 2.135 2.158 . 0 0 "[ . 1 . 2]" 2
132 1 113 PRO HG2 1 114 THR MG 4.600 3.500 5.700 4.425 2.859 5.118 0.641 8 1 "[ . + 1 . 2]" 2
133 1 19 LEU QD 1 20 PHE H 3.200 2.400 3.950 2.580 2.061 2.952 0.339 16 0 "[ . 1 . 2]" 2
134 1 19 LEU HA 1 19 LEU QD 2.296 . 2.611 2.275 2.139 2.622 0.011 16 0 "[ . 1 . 2]" 2
135 1 100 LYS QE 1 100 LYS HG3 3.100 2.100 4.100 3.236 2.391 3.529 . 0 0 "[ . 1 . 2]" 2
136 1 19 LEU QD 1 21 ASP QB 4.300 3.400 6.000 3.074 2.328 4.079 1.072 5 7 "[* + - * .** *2]" 2
137 1 119 LEU QD 1 120 ILE H 2.746 2.379 3.113 2.548 2.365 2.854 0.014 9 0 "[ . 1 . 2]" 2
138 1 119 LEU QD 1 130 PHE H 2.914 2.476 3.352 3.008 2.530 3.263 . 0 0 "[ . 1 . 2]" 2
139 1 81 LEU H 1 81 LEU QD 3.876 3.370 4.273 3.319 2.936 3.442 0.434 7 0 "[ . 1 . 2]" 2
140 1 11 VAL QG 1 75 ARG HA 2.680 2.281 6.000 3.376 2.860 4.045 . 0 0 "[ . 1 . 2]" 2
141 1 76 TYR HA 1 81 LEU QD 4.100 2.200 6.000 2.386 2.189 2.734 0.011 14 0 "[ . 1 . 2]" 2
142 1 97 LEU HA 1 97 LEU MD2 3.500 . 5.100 2.847 2.016 4.119 . 0 0 "[ . 1 . 2]" 2
143 1 119 LEU QD 1 129 LEU HA 3.146 2.653 3.639 3.430 3.139 3.613 . 0 0 "[ . 1 . 2]" 2
144 1 11 VAL HA 1 11 VAL QG 2.165 . 2.453 2.179 2.151 2.339 . 0 0 "[ . 1 . 2]" 2
145 1 11 VAL QG 1 76 TYR QB 4.100 2.200 6.000 2.319 1.920 3.860 0.280 1 0 "[ . 1 . 2]" 2
146 1 20 PHE HB2 1 81 LEU QD 3.800 . 5.700 2.774 2.323 3.383 . 0 0 "[ . 1 . 2]" 2
147 1 20 PHE HB3 1 81 LEU QD 3.800 . 5.700 2.198 1.840 3.209 0.060 6 0 "[ . 1 . 2]" 2
148 1 32 THR HA 1 32 THR HB 2.881 2.473 3.289 3.029 3.015 3.040 . 0 0 "[ . 1 . 2]" 2
149 1 120 ILE MD 1 132 SER HB2 3.800 2.600 5.000 3.440 2.740 4.262 . 0 0 "[ . 1 . 2]" 2
150 1 120 ILE MD 1 132 SER HB3 3.800 2.600 5.000 2.937 2.635 4.421 . 0 0 "[ . 1 . 2]" 2
151 1 120 ILE HG12 1 132 SER HB2 3.300 2.200 4.400 2.954 2.604 4.528 0.128 10 0 "[ . 1 . 2]" 2
152 1 120 ILE HG13 1 132 SER HB3 3.300 2.200 4.400 2.871 2.349 3.793 . 0 0 "[ . 1 . 2]" 2
153 1 87 ASP HA 1 98 SER HB3 3.500 2.300 4.700 3.454 2.523 4.638 . 0 0 "[ . 1 . 2]" 2
154 1 87 ASP HA 1 98 SER HB2 3.500 . 5.200 3.377 2.168 4.598 . 0 0 "[ . 1 . 2]" 2
155 1 132 SER HA 1 132 SER HB3 2.750 2.250 3.250 2.913 2.389 3.037 . 0 0 "[ . 1 . 2]" 2
156 1 98 SER HA 1 98 SER HB2 2.700 2.200 3.200 2.766 2.436 3.043 . 0 0 "[ . 1 . 2]" 2
157 1 98 SER H 1 98 SER HB3 3.200 2.300 4.100 3.507 2.687 3.990 . 0 0 "[ . 1 . 2]" 2
158 1 26 SER HB2 1 27 GLY H 4.400 3.800 5.000 4.123 3.468 4.408 0.332 9 0 "[ . 1 . 2]" 2
159 1 54 PRO HA 1 56 VAL H 4.037 3.489 4.585 3.647 3.476 3.895 0.013 15 0 "[ . 1 . 2]" 2
160 1 109 PRO HA 1 110 GLU H 2.928 2.540 6.000 3.410 3.199 3.535 . 0 0 "[ . 1 . 2]" 2
161 1 121 SER H 1 121 SER HB2 3.400 2.800 3.900 2.987 2.786 3.325 0.014 18 0 "[ . 1 . 2]" 2
162 1 121 SER H 1 121 SER HB3 3.400 2.800 3.900 3.454 2.796 3.900 0.004 1 0 "[ . 1 . 2]" 2
163 1 56 VAL HA 1 58 ALA H 4.115 3.589 4.641 3.927 3.714 4.140 . 0 0 "[ . 1 . 2]" 2
164 1 3 SER H 1 3 SER HB2 3.200 2.400 4.000 3.079 2.418 3.772 . 0 0 "[ . 1 . 2]" 2
165 1 3 SER H 1 3 SER HB3 3.200 2.400 4.000 3.377 2.584 4.023 0.023 15 0 "[ . 1 . 2]" 2
166 1 112 GLY H 1 113 PRO HA 3.418 3.104 6.000 5.108 4.559 5.844 . 0 0 "[ . 1 . 2]" 2
167 1 90 PRO HA 1 98 SER HA 3.100 2.100 4.100 2.426 2.198 2.875 . 0 0 "[ . 1 . 2]" 2
168 1 121 SER HA 1 121 SER HB3 3.221 2.876 3.566 2.677 2.401 3.041 0.475 12 0 "[ . 1 . 2]" 2
169 1 56 VAL HA 1 57 GLY HA2 4.054 3.663 6.000 4.365 4.329 4.411 . 0 0 "[ . 1 . 2]" 2
170 1 3 SER HA 1 3 SER HB2 2.750 2.250 3.250 2.782 2.455 3.045 . 0 0 "[ . 1 . 2]" 2
171 1 3 SER HA 1 3 SER HB3 2.750 2.250 3.250 2.647 2.367 3.066 . 0 0 "[ . 1 . 2]" 2
172 1 56 VAL HA 1 57 GLY HA3 4.843 4.310 5.376 4.346 4.309 4.402 0.001 11 0 "[ . 1 . 2]" 2
173 1 54 PRO HA 1 54 PRO HB3 2.550 2.050 3.050 2.299 2.256 2.324 . 0 0 "[ . 1 . 2]" 2
174 1 54 PRO HA 1 54 PRO HG2 4.000 3.000 5.000 3.901 3.852 3.960 . 0 0 "[ . 1 . 2]" 2
175 1 54 PRO HA 1 54 PRO HG3 4.200 3.200 5.200 3.383 2.977 3.981 0.223 14 0 "[ . 1 . 2]" 2
176 1 48 GLU QG 1 54 PRO HA 4.500 3.000 6.000 3.494 2.245 4.475 0.755 12 2 "[ . - 1 + . 2]" 2
177 1 113 PRO HA 1 113 PRO HB3 2.550 2.050 3.050 2.303 2.273 2.354 . 0 0 "[ . 1 . 2]" 2
178 1 92 PRO HA 1 92 PRO HB3 2.370 . 2.929 2.297 2.254 2.329 . 0 0 "[ . 1 . 2]" 2
179 1 92 PRO HA 1 92 PRO HG2 3.600 3.000 4.200 3.950 3.826 4.080 . 0 0 "[ . 1 . 2]" 2
180 1 113 PRO HA 1 113 PRO HG3 3.800 3.100 4.500 3.737 3.085 4.095 0.015 12 0 "[ . 1 . 2]" 2
181 1 92 PRO HA 1 92 PRO HG3 3.600 3.000 4.200 3.543 2.975 4.064 0.025 1 0 "[ . 1 . 2]" 2
182 1 80 VAL QG 1 104 SER QB 3.496 3.140 4.523 3.079 1.957 3.496 1.183 11 5 "[ - ** *+ . 2]" 2
183 1 120 ILE MG 1 121 SER HB3 4.041 3.569 4.913 4.076 3.555 4.536 0.014 2 0 "[ . 1 . 2]" 2
184 1 54 PRO HA 1 55 GLY QA 4.400 4.100 4.700 3.877 3.844 3.894 0.256 16 0 "[ . 1 . 2]" 2
185 1 93 SER H 1 93 SER HB2 3.100 2.350 3.850 2.743 2.459 3.468 . 0 0 "[ . 1 . 2]" 2
186 1 66 SER HB3 1 66 SER HG 2.400 . 2.900 2.610 2.138 2.835 . 0 0 "[ . 1 . 2]" 2
187 1 15 SER QB 1 16 THR MG 4.400 2.800 6.000 3.011 2.669 3.590 0.131 3 0 "[ . 1 . 2]" 2
188 1 56 VAL MG2 1 66 SER HB2 3.058 2.569 3.947 3.100 2.402 3.639 0.167 2 0 "[ . 1 . 2]" 2
189 1 65 ILE HA 1 65 ILE MG 2.400 . 3.100 2.455 2.389 2.501 . 0 0 "[ . 1 . 2]" 2
190 1 65 ILE HA 1 65 ILE HG12 2.600 2.100 3.100 2.543 2.468 2.637 . 0 0 "[ . 1 . 2]" 2
191 1 65 ILE HA 1 65 ILE HB 3.000 . 4.000 3.039 3.032 3.046 . 0 0 "[ . 1 . 2]" 2
192 1 117 PRO HA 1 117 PRO HG2 3.956 3.554 4.358 3.887 3.835 3.956 . 0 0 "[ . 1 . 2]" 2
193 1 117 PRO HA 1 117 PRO HG3 4.282 3.802 4.762 4.027 3.988 4.067 . 0 0 "[ . 1 . 2]" 2
194 1 117 PRO HA 1 117 PRO HB3 2.550 2.050 3.050 2.316 2.292 2.344 . 0 0 "[ . 1 . 2]" 2
195 1 84 VAL HA 1 102 VAL HA 2.600 2.100 3.100 2.405 2.293 2.509 . 0 0 "[ . 1 . 2]" 2
196 1 63 THR H 1 63 THR HA 3.254 2.821 3.687 2.852 2.803 2.907 0.018 11 0 "[ . 1 . 2]" 2
197 1 117 PRO HA 1 118 MET H 2.400 . 3.100 2.144 2.049 2.369 . 0 0 "[ . 1 . 2]" 2
198 1 102 VAL H 1 102 VAL HA 3.072 2.595 3.549 2.934 2.922 2.943 . 0 0 "[ . 1 . 2]" 2
199 1 80 VAL HA 1 80 VAL QG 3.300 2.300 4.300 2.285 2.139 2.447 0.161 9 0 "[ . 1 . 2]" 2
200 1 103 ILE HA 1 103 ILE HG12 2.042 . 6.000 2.615 2.558 2.666 . 0 0 "[ . 1 . 2]" 2
201 1 120 ILE HA 1 120 ILE HG12 2.966 2.542 3.390 3.073 2.991 3.130 . 0 0 "[ . 1 . 2]" 2
202 1 120 ILE HA 1 120 ILE HB 2.958 2.557 3.359 3.028 3.020 3.033 . 0 0 "[ . 1 . 2]" 2
203 1 77 VAL HA 1 77 VAL HB 2.621 2.261 2.981 2.523 2.400 2.570 . 0 0 "[ . 1 . 2]" 2
204 1 11 VAL HA 1 11 VAL HB 2.644 2.283 6.000 2.987 2.477 3.053 . 0 0 "[ . 1 . 2]" 2
205 1 80 VAL HA 1 80 VAL HB 2.900 2.300 3.500 2.712 2.396 3.049 . 0 0 "[ . 1 . 2]" 2
206 1 103 ILE HA 1 131 PHE HB3 3.500 2.700 4.300 3.874 3.638 4.037 . 0 0 "[ . 1 . 2]" 2
207 1 15 SER HA 1 15 SER QB 2.750 2.250 3.250 2.301 2.167 2.391 0.083 11 0 "[ . 1 . 2]" 2
208 1 16 THR HA 1 16 THR HB 2.421 2.115 2.727 2.564 2.497 2.654 . 0 0 "[ . 1 . 2]" 2
209 1 16 THR H 1 16 THR HA 2.939 2.549 3.329 2.906 2.857 2.929 . 0 0 "[ . 1 . 2]" 2
210 1 15 SER HA 1 16 THR H 3.951 3.483 4.419 3.568 3.487 3.642 . 0 0 "[ . 1 . 2]" 2
211 1 16 THR HA 1 17 GLY H 3.802 2.987 4.317 3.438 3.308 3.538 . 0 0 "[ . 1 . 2]" 2
212 1 32 THR HA 1 33 ALA MB 4.330 3.812 4.848 4.034 3.950 4.153 . 0 0 "[ . 1 . 2]" 2
213 1 12 THR HA 1 19 LEU QD 3.900 2.700 5.100 2.965 2.652 3.807 0.048 4 0 "[ . 1 . 2]" 2
214 1 62 GLN HA 1 62 GLN HB3 2.750 2.250 3.250 2.552 2.389 3.030 . 0 0 "[ . 1 . 2]" 2
215 1 62 GLN HA 1 64 ARG HG3 3.800 2.800 6.000 3.825 3.135 4.837 . 0 0 "[ . 1 . 2]" 2
216 1 12 THR HA 1 12 THR HB 2.980 2.593 3.367 3.032 3.020 3.043 . 0 0 "[ . 1 . 2]" 2
217 1 99 TYR HA 1 99 TYR QB 2.800 2.300 3.300 2.418 2.365 2.484 . 0 0 "[ . 1 . 2]" 2
218 1 99 TYR HA 1 127 CYS HB3 2.600 . 3.200 2.029 1.880 2.388 0.120 5 0 "[ . 1 . 2]" 2
219 1 12 THR H 1 12 THR HA 3.181 2.711 3.651 2.918 2.890 2.946 . 0 0 "[ . 1 . 2]" 2
220 1 12 THR HA 1 20 PHE QD 4.800 3.600 6.000 4.039 3.596 4.406 0.004 6 0 "[ . 1 . 2]" 2
221 1 99 TYR HA 1 99 TYR QD 3.200 2.300 4.100 2.874 2.691 3.074 . 0 0 "[ . 1 . 2]" 2
222 1 12 THR HA 1 20 PHE H 3.317 2.889 3.745 3.269 2.985 3.521 . 0 0 "[ . 1 . 2]" 2
223 1 61 GLY H 1 62 GLN HA 4.147 3.740 6.000 5.191 4.940 5.451 . 0 0 "[ . 1 . 2]" 2
224 1 93 SER H 1 93 SER HA 2.804 2.513 3.095 2.845 2.768 2.929 . 0 0 "[ . 1 . 2]" 2
225 1 95 SER HA 1 95 SER HB3 2.750 2.250 3.250 2.546 2.348 3.037 . 0 0 "[ . 1 . 2]" 2
226 1 93 SER HA 1 93 SER HB3 2.700 2.200 3.200 2.509 2.306 3.038 . 0 0 "[ . 1 . 2]" 2
227 1 9 CYS H 1 9 CYS HA 2.300 . 2.800 2.237 2.181 2.290 . 0 0 "[ . 1 . 2]" 2
228 1 60 PHE HA 1 61 GLY H 2.828 2.129 3.127 2.160 2.124 2.196 0.005 9 0 "[ . 1 . 2]" 2
229 1 127 CYS HA 1 128 THR H 2.700 2.200 3.200 2.654 2.477 2.830 . 0 0 "[ . 1 . 2]" 2
230 1 79 GLN H 1 79 GLN HA 2.561 2.234 2.888 2.238 2.215 2.263 0.019 11 0 "[ . 1 . 2]" 2
231 1 30 GLY HA3 1 44 SER HA 2.800 2.100 3.500 2.195 1.883 2.901 0.217 9 0 "[ . 1 . 2]" 2
232 1 101 SER HA 1 101 SER HB3 2.750 2.250 3.250 2.593 2.322 3.040 . 0 0 "[ . 1 . 2]" 2
233 1 104 SER HA 1 104 SER QB 2.750 2.250 3.250 2.376 2.213 2.422 0.037 8 0 "[ . 1 . 2]" 2
234 1 101 SER HA 1 129 LEU HB2 4.500 3.000 6.000 2.954 2.854 3.003 0.146 9 0 "[ . 1 . 2]" 2
235 1 127 CYS HA 1 127 CYS HB3 2.750 2.250 3.250 2.436 2.386 2.498 . 0 0 "[ . 1 . 2]" 2
236 1 79 GLN HA 1 79 GLN HB2 2.750 2.250 3.250 2.924 2.503 3.034 . 0 0 "[ . 1 . 2]" 2
237 1 79 GLN HA 1 79 GLN HG2 3.000 2.200 3.800 2.927 2.433 3.765 . 0 0 "[ . 1 . 2]" 2
238 1 79 GLN HA 1 79 GLN HG3 3.000 2.200 3.800 2.818 2.378 3.155 . 0 0 "[ . 1 . 2]" 2
239 1 125 GLN HA 1 125 GLN HB2 3.180 2.855 3.505 3.015 2.985 3.046 . 0 0 "[ . 1 . 2]" 2
240 1 50 GLU HA 1 50 GLU QG 3.100 2.400 3.800 3.045 2.437 3.368 . 0 0 "[ . 1 . 2]" 2
241 1 57 GLY H 1 69 LYS HA 2.443 2.009 2.877 2.740 2.505 2.899 0.022 1 0 "[ . 1 . 2]" 2
242 1 37 LYS H 1 37 LYS HA 2.600 2.100 3.100 2.620 2.203 2.952 . 0 0 "[ . 1 . 2]" 2
243 1 64 ARG HA 1 65 ILE H 2.700 . 3.200 2.653 2.476 2.887 . 0 0 "[ . 1 . 2]" 2
244 1 135 THR HA 1 136 PRO HD2 2.300 . 2.800 2.327 2.149 2.790 . 0 0 "[ . 1 . 2]" 2
245 1 135 THR HA 1 136 PRO HD3 2.300 . 2.800 2.260 1.904 2.366 . 0 0 "[ . 1 . 2]" 2
246 1 132 SER HA 1 132 SER HB2 2.750 2.250 3.250 2.556 2.463 3.020 . 0 0 "[ . 1 . 2]" 2
247 1 103 ILE HA 1 132 SER HA 3.891 3.508 4.900 4.081 3.784 4.440 . 0 0 "[ . 1 . 2]" 2
248 1 42 TYR HA 1 42 TYR HB3 2.750 2.250 3.250 2.473 2.406 2.546 . 0 0 "[ . 1 . 2]" 2
249 1 130 PHE HA 1 130 PHE HB2 2.800 2.300 3.300 3.017 3.012 3.025 . 0 0 "[ . 1 . 2]" 2
250 1 82 GLN HG2 1 104 SER HA 4.300 3.300 5.300 4.810 3.989 5.405 0.105 12 0 "[ . 1 . 2]" 2
251 1 102 VAL HB 1 130 PHE HA 2.759 2.340 3.178 2.695 2.449 2.878 . 0 0 "[ . 1 . 2]" 2
252 1 32 THR MG 1 42 TYR HA 3.209 2.703 3.715 3.048 2.695 3.725 0.010 3 0 "[ . 1 . 2]" 2
253 1 80 VAL QG 1 104 SER HA 4.900 3.800 6.000 3.176 2.600 4.005 1.200 9 14 "[** *.* +1**-***** *]" 2
254 1 102 VAL MG1 1 130 PHE HA 3.887 3.339 4.435 3.866 3.673 4.110 . 0 0 "[ . 1 . 2]" 2
255 1 135 THR HA 1 136 PRO HB3 5.223 4.700 5.746 4.894 4.727 5.479 . 0 0 "[ . 1 . 2]" 2
256 1 28 ARG QB 1 50 GLU HA 4.500 3.000 6.000 4.574 3.567 5.655 . 0 0 "[ . 1 . 2]" 2
257 1 69 LYS HA 1 69 LYS HB3 2.800 2.300 3.300 2.865 2.462 3.035 . 0 0 "[ . 1 . 2]" 2
258 1 69 LYS HA 1 69 LYS HD2 2.400 . 2.900 2.444 2.119 3.061 0.161 3 0 "[ . 1 . 2]" 2
259 1 50 GLU HA 1 50 GLU HB3 2.700 2.200 3.200 2.420 2.354 2.518 . 0 0 "[ . 1 . 2]" 2
260 1 37 LYS HA 1 37 LYS HB3 2.821 . 3.343 2.671 2.449 3.055 . 0 0 "[ . 1 . 2]" 2
261 1 37 LYS HA 1 37 LYS HD3 2.500 . 3.700 2.807 1.951 4.276 0.576 19 2 "[ . - 1 . +2]" 2
262 1 69 LYS HA 1 69 LYS HG3 3.300 2.800 3.800 3.188 2.792 3.805 0.008 16 0 "[ . 1 . 2]" 2
263 1 37 LYS HA 1 37 LYS HG2 3.200 2.400 3.900 3.404 2.873 3.837 . 0 0 "[ . 1 . 2]" 2
264 1 37 LYS HA 1 37 LYS HG3 3.200 2.400 3.900 3.305 2.518 3.794 . 0 0 "[ . 1 . 2]" 2
265 1 56 VAL MG1 1 66 SER HA 4.000 2.200 5.800 2.458 2.215 2.697 . 0 0 "[ . 1 . 2]" 2
266 1 56 VAL MG1 1 69 LYS HA 4.500 3.000 6.000 3.581 3.308 3.905 . 0 0 "[ . 1 . 2]" 2
267 1 36 ALA MB 1 37 LYS HA 5.000 4.000 6.000 4.467 3.966 5.040 0.034 3 0 "[ . 1 . 2]" 2
268 1 56 VAL MG2 1 69 LYS HA 4.600 3.300 5.900 3.769 3.400 4.086 . 0 0 "[ . 1 . 2]" 2
269 1 69 LYS HA 1 70 ALA HA 4.689 4.029 5.349 4.345 4.289 4.409 . 0 0 "[ . 1 . 2]" 2
270 1 107 CYS HA 1 107 CYS HB2 2.750 2.250 3.250 2.465 2.349 3.015 . 0 0 "[ . 1 . 2]" 2
271 1 18 HIS HA 1 18 HIS HB2 2.750 2.250 3.250 2.716 2.433 3.027 . 0 0 "[ . 1 . 2]" 2
272 1 107 CYS HA 1 107 CYS HB3 2.750 2.250 3.250 2.946 2.384 3.023 . 0 0 "[ . 1 . 2]" 2
273 1 18 HIS HA 1 18 HIS HB3 2.750 2.250 3.250 2.805 2.377 3.039 . 0 0 "[ . 1 . 2]" 2
274 1 137 LEU HA 1 137 LEU HB2 3.276 2.834 3.718 2.982 2.468 3.017 0.366 4 0 "[ . 1 . 2]" 2
275 1 137 LEU HA 1 137 LEU HG 2.695 2.333 3.057 3.066 2.943 3.106 0.049 4 0 "[ . 1 . 2]" 2
276 1 42 TYR HA 1 42 TYR HD1 3.600 3.000 4.200 3.375 2.881 4.199 0.119 4 0 "[ . 1 . 2]" 2
277 1 56 VAL HA 1 69 LYS HA 2.300 . 2.800 2.318 2.118 2.621 . 0 0 "[ . 1 . 2]" 2
278 1 31 PHE HA 1 31 PHE HB2 2.750 2.250 3.250 2.725 2.467 3.043 . 0 0 "[ . 1 . 2]" 2
279 1 98 SER HA 1 98 SER HB3 2.700 2.200 3.200 2.612 2.376 3.041 . 0 0 "[ . 1 . 2]" 2
280 1 131 PHE HA 1 132 SER H 2.517 2.178 2.856 2.215 2.162 2.360 0.016 15 0 "[ . 1 . 2]" 2
281 1 120 ILE H 1 131 PHE HA 3.045 2.620 3.470 2.859 2.635 3.116 . 0 0 "[ . 1 . 2]" 2
282 1 119 LEU HA 1 120 ILE H 2.849 2.173 3.225 2.161 2.136 2.195 0.037 9 0 "[ . 1 . 2]" 2
283 1 78 ASP H 1 78 ASP HA 2.819 . 3.112 2.247 2.214 2.294 . 0 0 "[ . 1 . 2]" 2
284 1 87 ASP HA 1 88 GLY H 2.805 2.165 3.145 2.417 2.125 2.879 0.040 18 0 "[ . 1 . 2]" 2
285 1 94 LYS H 1 94 LYS HA 2.600 2.100 3.100 2.697 2.187 2.928 . 0 0 "[ . 1 . 2]" 2
286 1 94 LYS HA 1 95 SER HB3 5.000 4.200 6.000 5.706 4.541 6.519 0.519 18 2 "[ . - . + 2]" 2
287 1 131 PHE HA 1 131 PHE HB2 2.750 2.250 3.250 3.039 3.029 3.050 . 0 0 "[ . 1 . 2]" 2
288 1 59 CYS HA 1 59 CYS HB3 2.900 . 3.900 2.451 2.386 2.501 . 0 0 "[ . 1 . 2]" 2
289 1 110 GLU HA 1 110 GLU HG3 3.100 2.100 6.000 3.491 2.691 4.295 . 0 0 "[ . 1 . 2]" 2
290 1 94 LYS HA 1 94 LYS HD3 2.900 . 3.900 2.724 2.013 3.983 0.083 20 0 "[ . 1 . 2]" 2
291 1 94 LYS HA 1 94 LYS HG2 3.100 2.200 4.000 3.369 3.041 3.825 . 0 0 "[ . 1 . 2]" 2
292 1 140 GLU HA 1 140 GLU HG2 3.200 2.400 4.000 3.381 2.373 3.783 0.027 20 0 "[ . 1 . 2]" 2
293 1 140 GLU HA 1 140 GLU HB2 2.500 . 3.100 2.677 2.477 3.048 . 0 0 "[ . 1 . 2]" 2
294 1 140 GLU HA 1 140 GLU HB3 2.500 . 3.100 2.408 2.334 2.519 . 0 0 "[ . 1 . 2]" 2
295 1 48 GLU HA 1 57 GLY HA2 3.300 . 4.800 2.223 1.925 2.689 . 0 0 "[ . 1 . 2]" 2
296 1 82 GLN HA 1 104 SER HA 2.985 2.537 3.433 2.632 2.474 2.880 0.063 7 0 "[ . 1 . 2]" 2
297 1 48 GLU H 1 48 GLU HA 3.250 2.791 3.709 2.905 2.875 2.929 . 0 0 "[ . 1 . 2]" 2
298 1 82 GLN H 1 82 GLN HA 3.098 2.627 3.569 2.932 2.918 2.947 . 0 0 "[ . 1 . 2]" 2
299 1 29 ALA HA 1 50 GLU QG 4.000 2.500 5.500 2.756 1.878 4.001 0.622 5 2 "[ + 1 - . 2]" 2
300 1 48 GLU HA 1 48 GLU HB2 2.683 2.284 3.082 2.667 2.463 3.048 . 0 0 "[ . 1 . 2]" 2
301 1 48 GLU HA 1 48 GLU HB3 2.400 . 2.811 2.355 2.241 2.435 . 0 0 "[ . 1 . 2]" 2
302 1 82 GLN HA 1 82 GLN HG2 2.900 2.400 3.400 3.103 2.740 3.329 . 0 0 "[ . 1 . 2]" 2
303 1 43 MET HA 1 43 MET HG3 3.932 3.101 4.463 3.818 3.730 3.887 . 0 0 "[ . 1 . 2]" 2
304 1 43 MET HA 1 43 MET HB3 2.705 2.330 3.080 2.420 2.353 2.455 . 0 0 "[ . 1 . 2]" 2
305 1 82 GLN HA 1 82 GLN HB2 2.850 2.396 3.304 2.448 2.400 2.528 . 0 0 "[ . 1 . 2]" 2
306 1 82 GLN HA 1 82 GLN HB3 3.362 2.916 3.808 3.013 2.994 3.022 . 0 0 "[ . 1 . 2]" 2
307 1 108 ARG QB 1 134 HIS HA 3.800 2.700 4.900 3.372 2.925 4.139 . 0 0 "[ . 1 . 2]" 2
308 1 10 GLN HA 1 10 GLN QG 2.800 2.100 3.500 3.268 2.416 3.384 . 0 0 "[ . 1 . 2]" 2
309 1 10 GLN HA 1 10 GLN QB 2.500 . 3.000 2.198 2.154 2.384 . 0 0 "[ . 1 . 2]" 2
310 1 48 GLU HA 1 70 ALA HA 3.272 2.847 6.000 3.778 3.148 4.578 . 0 0 "[ . 1 . 2]" 2
311 1 141 LEU HA 1 141 LEU HB2 2.700 2.200 3.200 2.639 2.432 3.027 . 0 0 "[ . 1 . 2]" 2
312 1 22 LEU HA 1 22 LEU HB2 3.178 2.746 3.610 3.015 3.003 3.030 . 0 0 "[ . 1 . 2]" 2
313 1 141 LEU HA 1 141 LEU MD2 3.500 2.100 4.900 3.362 2.079 3.917 0.021 4 0 "[ . 1 . 2]" 2
314 1 74 LEU HA 1 74 LEU QD 2.399 2.001 2.797 2.189 1.975 2.616 0.026 12 0 "[ . 1 . 2]" 2
315 1 43 MET HA 1 58 ALA MB 2.778 2.314 3.242 2.705 2.347 3.111 . 0 0 "[ . 1 . 2]" 2
316 1 22 LEU HA 1 137 LEU QD 2.834 2.169 3.399 2.978 2.610 3.323 . 0 0 "[ . 1 . 2]" 2
317 1 115 ASN HA 1 115 ASN QB 2.800 2.300 3.300 2.339 2.192 2.455 0.108 7 0 "[ . 1 . 2]" 2
318 1 21 ASP HA 1 21 ASP QB 2.500 . 3.000 2.231 2.178 2.441 . 0 0 "[ . 1 . 2]" 2
319 1 10 GLN HB2 1 21 ASP HA 4.100 2.900 5.300 3.616 2.887 4.819 0.013 7 0 "[ . 1 . 2]" 2
320 1 51 ASN HA 1 51 ASN HB2 2.750 2.250 3.250 2.952 2.439 3.046 . 0 0 "[ . 1 . 2]" 2
321 1 51 ASN HA 1 51 ASN HB3 2.750 2.250 3.250 2.549 2.436 3.039 . 0 0 "[ . 1 . 2]" 2
322 1 142 ALA HA 1 142 ALA MB 2.600 . 3.100 2.138 2.107 2.157 . 0 0 "[ . 1 . 2]" 2
323 1 71 ASN HA 1 71 ASN HB3 2.750 2.250 3.250 2.721 2.470 3.049 . 0 0 "[ . 1 . 2]" 2
324 1 10 GLN HA 1 21 ASP HA 2.500 . 3.000 2.308 2.007 2.948 . 0 0 "[ . 1 . 2]" 2
325 1 34 ALA HA 1 35 TYR H 2.300 . 2.600 2.128 2.057 2.224 . 0 0 "[ . 1 . 2]" 2
326 1 28 ARG HA 1 49 ASN HA 3.300 2.300 4.300 3.504 2.930 4.144 . 0 0 "[ . 1 . 2]" 2
327 1 34 ALA HA 1 40 GLY HA3 3.200 . 4.700 3.799 2.404 4.733 0.033 14 0 "[ . 1 . 2]" 2
328 1 136 PRO HD3 1 136 PRO HG3 2.581 2.212 2.950 2.296 2.257 2.328 . 0 0 "[ . 1 . 2]" 2
329 1 111 ALA HA 1 136 PRO HB3 5.000 4.000 6.000 5.320 3.215 6.027 0.785 11 1 "[ . 1+ . 2]" 2
330 1 136 PRO HB3 1 136 PRO HD2 3.500 2.750 4.250 3.855 3.802 3.921 . 0 0 "[ . 1 . 2]" 2
331 1 136 PRO HB3 1 136 PRO HD3 3.500 2.750 4.250 3.064 2.826 4.001 . 0 0 "[ . 1 . 2]" 2
332 1 116 ARG HA 1 116 ARG HB3 2.500 . 3.500 2.529 2.408 3.031 . 0 0 "[ . 1 . 2]" 2
333 1 14 PRO HD3 1 15 SER H 3.300 2.550 4.050 3.943 3.628 4.065 0.015 19 0 "[ . 1 . 2]" 2
334 1 109 PRO HD3 1 136 PRO HA 2.731 2.449 6.000 4.361 3.875 4.795 . 0 0 "[ . 1 . 2]" 2
335 1 109 PRO HD3 1 139 CYS QB 3.968 3.449 6.000 4.579 3.640 5.767 . 0 0 "[ . 1 . 2]" 2
336 1 14 PRO HB2 1 14 PRO HD3 3.600 3.000 4.200 3.888 3.827 3.937 . 0 0 "[ . 1 . 2]" 2
337 1 14 PRO HD2 1 14 PRO HG2 2.130 . 2.370 2.311 2.292 2.335 . 0 0 "[ . 1 . 2]" 2
338 1 109 PRO HD3 1 109 PRO HG2 2.288 2.054 6.000 2.681 2.640 2.964 . 0 0 "[ . 1 . 2]" 2
339 1 113 PRO HD2 1 113 PRO HG2 2.311 2.036 2.586 2.303 2.255 2.329 . 0 0 "[ . 1 . 2]" 2
340 1 113 PRO HB2 1 113 PRO HD2 3.500 2.900 4.100 3.701 2.920 4.074 . 0 0 "[ . 1 . 2]" 2
341 1 112 GLY HA3 1 113 PRO HD2 2.900 . 3.800 2.486 2.036 3.520 . 0 0 "[ . 1 . 2]" 2
342 1 113 PRO HD2 1 114 THR H 3.500 2.300 4.700 3.027 2.500 4.382 . 0 0 "[ . 1 . 2]" 2
343 1 83 LEU HB2 1 83 LEU MD1 2.830 . 3.203 2.313 2.280 2.357 . 0 0 "[ . 1 . 2]" 2
344 1 83 LEU HA 1 83 LEU HB2 3.293 2.812 3.774 3.022 3.004 3.032 . 0 0 "[ . 1 . 2]" 2
345 1 30 GLY H 1 30 GLY HA2 2.550 2.050 3.050 2.282 2.261 2.337 . 0 0 "[ . 1 . 2]" 2
346 1 30 GLY H 1 30 GLY HA3 2.550 2.050 3.050 2.822 2.753 2.909 . 0 0 "[ . 1 . 2]" 2
347 1 57 GLY HA2 1 70 ALA HA 3.000 2.200 3.800 3.252 2.622 3.811 0.011 5 0 "[ . 1 . 2]" 2
348 1 47 GLY HA2 1 70 ALA HA 3.757 3.249 6.000 4.771 4.054 5.299 . 0 0 "[ . 1 . 2]" 2
349 1 12 THR MG 1 17 GLY HA2 4.500 3.200 5.800 3.451 3.184 4.122 0.016 7 0 "[ . 1 . 2]" 2
350 1 57 GLY HA3 1 70 ALA HA 3.000 2.200 3.800 2.388 2.186 2.713 0.014 7 0 "[ . 1 . 2]" 2
351 1 12 THR MG 1 17 GLY HA3 4.500 3.200 5.800 4.754 4.425 5.465 . 0 0 "[ . 1 . 2]" 2
352 1 47 GLY HA3 1 70 ALA HA 4.576 4.070 6.100 5.792 5.230 6.113 0.013 14 0 "[ . 1 . 2]" 2
353 1 57 GLY HA3 1 69 LYS HA 4.500 3.800 5.200 4.504 4.170 4.801 . 0 0 "[ . 1 . 2]" 2
354 1 38 GLY H 1 38 GLY HA2 2.750 2.250 3.250 2.683 2.295 2.947 . 0 0 "[ . 1 . 2]" 2
355 1 38 GLY H 1 38 GLY HA3 2.750 2.250 3.250 2.684 2.283 2.940 . 0 0 "[ . 1 . 2]" 2
356 1 61 GLY H 1 61 GLY HA2 2.600 2.200 3.000 2.320 2.270 2.399 . 0 0 "[ . 1 . 2]" 2
357 1 61 GLY HA3 1 62 GLN H 2.691 2.247 3.135 2.634 2.415 2.852 . 0 0 "[ . 1 . 2]" 2
358 1 55 GLY H 1 55 GLY QA 2.700 2.250 3.200 2.390 2.262 2.447 . 0 0 "[ . 1 . 2]" 2
359 1 64 ARG HA 1 64 ARG QD 3.800 2.900 4.700 4.022 3.506 4.254 . 0 0 "[ . 1 . 2]" 2
360 1 141 LEU HB2 1 141 LEU MD1 2.472 2.106 2.838 2.352 2.289 2.393 . 0 0 "[ . 1 . 2]" 2
361 1 65 ILE MG 1 99 TYR QB 5.000 3.700 6.000 3.649 3.131 4.191 0.569 6 2 "[- .+ 1 . 2]" 2
362 1 139 CYS HA 1 139 CYS QB 2.800 2.300 3.300 2.374 2.320 2.433 . 0 0 "[ . 1 . 2]" 2
363 1 72 LYS HA 1 72 LYS QE 4.900 4.100 5.700 5.119 4.051 5.716 0.049 20 0 "[ . 1 . 2]" 2
364 1 123 ASP HA 1 123 ASP HB3 2.998 2.549 3.447 3.012 2.997 3.030 . 0 0 "[ . 1 . 2]" 2
365 1 99 TYR QB 1 99 TYR QD 3.000 2.250 3.750 2.137 2.123 2.149 0.127 10 0 "[ . 1 . 2]" 2
366 1 123 ASP HB3 1 130 PHE QE 3.472 3.022 4.322 3.086 2.992 3.545 0.030 4 0 "[ . 1 . 2]" 2
367 1 81 LEU QB 1 81 LEU HG 2.336 . 2.722 2.340 2.025 2.437 . 0 0 "[ . 1 . 2]" 2
368 1 91 CYS HB2 1 97 LEU HB3 4.300 2.700 5.900 3.748 2.683 4.556 0.017 13 0 "[ . 1 . 2]" 2
369 1 119 LEU HB2 1 119 LEU QD 3.250 2.150 4.350 2.265 2.112 2.304 0.038 9 0 "[ . 1 . 2]" 2
370 1 119 LEU HB2 1 119 LEU HG 2.521 2.148 2.894 2.456 2.391 3.025 0.131 9 0 "[ . 1 . 2]" 2
371 1 22 LEU HB2 1 46 CYS QB 4.800 3.600 6.000 4.033 3.394 4.907 0.206 16 0 "[ . 1 . 2]" 2
372 1 9 CYS HA 1 9 CYS HB3 2.750 2.250 3.250 2.630 2.408 3.029 . 0 0 "[ . 1 . 2]" 2
373 1 9 CYS HA 1 9 CYS HB2 2.750 2.250 3.250 2.892 2.559 3.025 . 0 0 "[ . 1 . 2]" 2
374 1 46 CYS HA 1 46 CYS QB 2.800 2.300 3.300 2.381 2.337 2.422 . 0 0 "[ . 1 . 2]" 2
375 1 60 PHE HA 1 60 PHE HB2 2.800 2.300 3.300 2.472 2.436 2.530 . 0 0 "[ . 1 . 2]" 2
376 1 60 PHE HA 1 60 PHE HB3 2.800 2.300 3.300 3.029 3.020 3.036 . 0 0 "[ . 1 . 2]" 2
377 1 71 ASN HA 1 71 ASN HB2 2.750 2.250 3.250 2.806 2.378 3.044 . 0 0 "[ . 1 . 2]" 2
378 1 99 TYR HA 1 127 CYS HB2 2.600 . 3.300 2.604 2.157 3.210 . 0 0 "[ . 1 . 2]" 2
379 1 7 ASP HA 1 7 ASP HB2 2.750 2.250 3.250 2.680 2.423 3.048 . 0 0 "[ . 1 . 2]" 2
380 1 7 ASP HA 1 7 ASP HB3 2.750 2.250 3.250 2.740 2.423 3.040 . 0 0 "[ . 1 . 2]" 2
381 1 20 PHE HA 1 20 PHE HB3 2.800 2.300 3.300 2.473 2.400 2.557 . 0 0 "[ . 1 . 2]" 2
382 1 119 LEU H 1 119 LEU HB3 3.111 2.593 3.629 2.726 2.406 2.870 0.187 9 0 "[ . 1 . 2]" 2
383 1 71 ASN HB2 1 72 LYS H 3.961 3.561 4.361 3.946 2.653 4.272 0.908 19 1 "[ . 1 . +2]" 2
384 1 7 ASP HB3 1 8 ASP H 4.300 3.300 5.300 4.213 2.643 4.508 0.657 13 1 "[ . 1 + . 2]" 2
385 1 7 ASP H 1 7 ASP HB2 3.200 2.200 4.200 3.237 2.425 3.950 . 0 0 "[ . 1 . 2]" 2
386 1 71 ASN QB 1 71 ASN HD21 3.300 2.100 4.500 2.415 2.129 2.838 . 0 0 "[ . 1 . 2]" 2
387 1 71 ASN QB 1 71 ASN HD22 3.300 2.100 4.500 3.332 3.197 3.501 . 0 0 "[ . 1 . 2]" 2
388 1 130 PHE HA 1 130 PHE HB3 2.800 2.300 3.300 2.500 2.466 2.534 . 0 0 "[ . 1 . 2]" 2
389 1 35 TYR HA 1 35 TYR QB 2.750 2.250 3.250 2.372 2.173 2.423 0.077 3 0 "[ . 1 . 2]" 2
390 1 8 ASP HA 1 8 ASP HB3 2.722 2.400 3.044 2.627 2.392 3.056 0.012 9 0 "[ . 1 . 2]" 2
391 1 78 ASP HA 1 78 ASP HB2 2.750 2.250 3.250 2.608 2.466 3.033 . 0 0 "[ . 1 . 2]" 2
392 1 78 ASP HA 1 78 ASP HB3 2.750 2.250 3.250 2.935 2.462 3.046 . 0 0 "[ . 1 . 2]" 2
393 1 8 ASP H 1 8 ASP HB2 2.816 2.444 3.188 2.956 2.357 3.725 0.537 15 3 "[ . * - + 2]" 2
394 1 69 LYS QD 1 87 ASP HB2 4.700 3.400 6.000 4.919 3.532 6.014 0.014 2 0 "[ . 1 . 2]" 2
395 1 69 LYS QD 1 87 ASP HB3 4.700 3.400 6.000 4.015 3.382 5.017 0.018 4 0 "[ . 1 . 2]" 2
396 1 107 CYS HB2 1 139 CYS HA 3.600 . 5.200 3.378 2.213 5.754 0.554 14 2 "[ . 1 +. -2]" 2
397 1 87 ASP HA 1 87 ASP HB2 2.750 2.250 3.250 2.664 2.412 3.049 . 0 0 "[ . 1 . 2]" 2
398 1 87 ASP HA 1 87 ASP HB3 2.750 2.250 3.250 2.856 2.449 3.046 . 0 0 "[ . 1 . 2]" 2
399 1 43 MET HB2 1 43 MET ME 3.200 . 4.400 2.429 2.090 3.033 . 0 0 "[ . 1 . 2]" 2
400 1 120 ILE HB 1 120 ILE HG13 2.442 2.067 2.817 2.461 2.436 2.479 . 0 0 "[ . 1 . 2]" 2
401 1 106 VAL HB 1 106 VAL QG 1.978 . 2.359 1.897 1.890 1.900 . 0 0 "[ . 1 . 2]" 2
402 1 106 VAL HA 1 106 VAL HB 2.963 2.407 3.519 3.009 2.480 3.047 . 0 0 "[ . 1 . 2]" 2
403 1 140 GLU HA 1 140 GLU HG3 3.200 2.400 4.000 3.637 3.010 3.894 . 0 0 "[ . 1 . 2]" 2
404 1 82 GLN HA 1 82 GLN HG3 2.900 2.400 3.400 2.613 2.467 2.711 . 0 0 "[ . 1 . 2]" 2
405 1 82 GLN HG3 1 103 ILE H 4.030 3.436 4.624 4.199 3.807 4.650 0.026 19 0 "[ . 1 . 2]" 2
406 1 86 LYS HB2 1 87 ASP H 2.700 . 3.700 2.506 2.050 3.705 0.005 12 0 "[ . 1 . 2]" 2
407 1 82 GLN HB3 1 83 LEU H 3.936 3.332 4.540 4.176 3.997 4.279 . 0 0 "[ . 1 . 2]" 2
408 1 11 VAL HB 1 11 VAL QG 2.750 . 3.250 1.896 1.889 1.902 0.111 11 0 "[ . 1 . 2]" 2
409 1 84 VAL HB 1 84 VAL QG 1.830 . 2.150 1.896 1.888 1.901 . 0 0 "[ . 1 . 2]" 2
410 1 79 GLN H 1 79 GLN HG2 3.900 2.900 4.900 4.111 3.459 4.997 0.097 4 0 "[ . 1 . 2]" 2
411 1 79 GLN H 1 79 GLN HG3 3.900 2.900 4.900 3.502 2.884 4.777 0.016 15 0 "[ . 1 . 2]" 2
412 1 79 GLN HE21 1 79 GLN HG2 3.200 2.200 4.200 2.661 2.182 3.426 0.018 7 0 "[ . 1 . 2]" 2
413 1 79 GLN HG3 1 80 VAL H 5.200 4.400 6.000 5.083 4.760 5.359 . 0 0 "[ . 1 . 2]" 2
414 1 110 GLU H 1 110 GLU HG3 3.200 2.400 4.000 2.963 2.112 3.962 0.288 4 0 "[ . 1 . 2]" 2
415 1 62 GLN HA 1 62 GLN HG3 3.400 2.900 3.900 3.453 2.607 3.817 0.293 5 0 "[ . 1 . 2]" 2
416 1 62 GLN HA 1 62 GLN HB2 2.750 2.250 3.250 2.801 2.434 3.030 . 0 0 "[ . 1 . 2]" 2
417 1 62 GLN H 1 62 GLN HG3 3.400 . 4.900 3.391 2.177 4.546 . 0 0 "[ . 1 . 2]" 2
418 1 113 PRO HA 1 113 PRO HB2 2.550 2.050 3.050 2.794 2.661 2.979 . 0 0 "[ . 1 . 2]" 2
419 1 37 LYS HA 1 37 LYS HB2 2.700 2.291 3.500 2.874 2.497 3.037 . 0 0 "[ . 1 . 2]" 2
420 1 116 ARG HA 1 116 ARG HB2 2.500 . 3.000 2.721 2.441 3.048 0.048 12 0 "[ . 1 . 2]" 2
421 1 37 LYS H 1 37 LYS HB2 3.300 2.300 4.300 3.223 2.418 3.654 . 0 0 "[ . 1 . 2]" 2
422 1 86 LYS HD3 1 86 LYS HE3 2.340 2.017 2.663 2.669 2.416 3.026 0.363 7 0 "[ . 1 . 2]" 2
423 1 72 LYS HA 1 72 LYS HD2 4.679 3.781 5.277 4.753 4.202 5.221 . 0 0 "[ . 1 . 2]" 2
424 1 56 VAL HA 1 69 LYS HD2 3.400 2.100 4.700 3.250 2.585 4.332 . 0 0 "[ . 1 . 2]" 2
425 1 48 GLU HB3 1 55 GLY H 2.900 . 4.100 2.565 1.834 3.262 . 0 0 "[ . 1 . 2]" 2
426 1 125 GLN H 1 125 GLN HB3 4.312 2.849 4.775 3.628 3.590 3.657 . 0 0 "[ . 1 . 2]" 2
427 1 125 GLN HB2 1 126 THR H 3.300 2.400 4.200 2.513 2.350 2.784 0.050 10 0 "[ . 1 . 2]" 2
428 1 125 GLN HB3 1 126 THR H 3.600 3.100 4.100 3.490 3.322 3.634 . 0 0 "[ . 1 . 2]" 2
429 1 65 ILE H 1 65 ILE HG12 3.800 3.050 4.550 3.446 3.259 3.539 . 0 0 "[ . 1 . 2]" 2
430 1 122 LEU HA 1 122 LEU HG 3.693 3.156 4.230 3.833 3.792 3.857 . 0 0 "[ . 1 . 2]" 2
431 1 94 LYS HA 1 94 LYS HD2 2.900 . 4.500 2.714 2.051 4.266 . 0 0 "[ . 1 . 2]" 2
432 1 109 PRO HG2 1 110 GLU H 4.318 3.869 4.767 4.197 3.318 4.752 0.551 7 1 "[ . + 1 . 2]" 2
433 1 97 LEU HG 1 98 SER H 4.900 4.300 5.500 4.982 4.255 5.393 0.045 7 0 "[ . 1 . 2]" 2
434 1 45 ILE HG12 1 45 ILE MG 2.419 . 2.868 2.805 2.233 3.220 0.352 17 0 "[ . 1 . 2]" 2
435 1 11 VAL QG 1 75 ARG HG2 4.315 3.712 6.000 5.160 4.405 5.974 . 0 0 "[ . 1 . 2]" 2
436 1 22 LEU MD1 1 81 LEU QD 4.000 3.000 5.000 2.596 2.207 3.168 0.793 19 8 "[ ** * * 1 * - *+2]" 2
437 1 81 LEU QB 1 81 LEU QD . 2.771 2.841 1.939 1.904 2.096 0.867 2 20 [*+****-*************] 2
438 1 41 VAL MG2 1 60 PHE HA 3.400 . 5.300 2.701 2.157 3.259 . 0 0 "[ . 1 . 2]" 2
439 1 81 LEU QD 1 138 ALA HA 2.497 2.094 2.900 2.211 2.027 2.592 0.067 14 0 "[ . 1 . 2]" 2
440 1 69 LYS HE3 1 69 LYS HG3 4.055 2.540 4.570 2.929 2.370 3.829 0.170 12 0 "[ . 1 . 2]" 2
441 1 119 LEU QD 1 129 LEU QD 4.300 2.600 6.000 2.469 2.104 2.763 0.496 4 0 "[ . 1 . 2]" 2
442 1 81 LEU MD1 1 81 LEU MD2 2.768 . 3.107 2.072 2.048 2.131 . 0 0 "[ . 1 . 2]" 2
443 1 22 LEU HB3 1 22 LEU MD1 3.300 2.300 4.300 2.361 2.315 2.394 . 0 0 "[ . 1 . 2]" 2
444 1 22 LEU HB2 1 22 LEU MD1 3.300 2.300 4.300 2.309 2.281 2.348 0.019 10 0 "[ . 1 . 2]" 2
445 1 22 LEU MD1 1 22 LEU HG 2.644 . 4.000 2.124 2.117 2.134 . 0 0 "[ . 1 . 2]" 2
446 1 22 LEU MD1 1 25 LEU QD 4.000 . 6.000 3.455 2.280 3.849 . 0 0 "[ . 1 . 2]" 2
447 1 22 LEU MD1 1 74 LEU QD 3.900 . 5.800 1.963 1.836 2.219 0.164 2 0 "[ . 1 . 2]" 2
448 1 25 LEU HB3 1 25 LEU QD 2.471 2.063 2.879 2.112 2.085 2.155 . 0 0 "[ . 1 . 2]" 2
449 1 25 LEU QD 1 137 LEU HG 3.114 2.621 6.000 3.974 3.525 4.769 . 0 0 "[ . 1 . 2]" 2
450 1 25 LEU QD 1 25 LEU HG 2.789 2.010 3.168 1.895 1.887 1.902 0.123 14 0 "[ . 1 . 2]" 2
451 1 25 LEU QD 1 137 LEU QD 3.145 2.617 6.000 2.297 2.081 3.155 0.536 13 2 "[ .- 1 + . 2]" 2
452 1 19 LEU QD 1 19 LEU HG 2.624 . 4.000 1.889 1.882 1.894 0.100 16 0 "[ . 1 . 2]" 2
453 1 72 LYS HE2 1 72 LYS HG3 3.500 2.700 4.300 3.369 2.417 4.266 0.283 8 0 "[ . 1 . 2]" 2
454 1 56 VAL HB 1 56 VAL MG1 2.892 2.009 3.275 2.130 2.122 2.140 . 0 0 "[ . 1 . 2]" 2
455 1 122 LEU QD 1 124 LYS QE 3.397 3.043 4.451 2.861 1.897 4.027 1.146 11 7 "[ - * *1+* * *2]" 2
456 1 122 LEU QD 1 123 ASP HB3 4.735 4.204 5.266 4.506 4.092 4.714 0.112 11 0 "[ . 1 . 2]" 2
457 1 56 VAL HA 1 56 VAL MG1 3.100 2.350 3.850 2.412 2.358 2.465 . 0 0 "[ . 1 . 2]" 2
458 1 122 LEU QD 1 129 LEU HA 4.500 3.000 6.000 3.177 2.913 3.508 0.087 5 0 "[ . 1 . 2]" 2
459 1 22 LEU HA 1 22 LEU MD1 3.810 3.280 4.340 3.862 3.833 3.902 . 0 0 "[ . 1 . 2]" 2
460 1 122 LEU HA 1 122 LEU QD 2.900 . 3.800 2.112 2.046 2.256 . 0 0 "[ . 1 . 2]" 2
461 1 83 LEU HA 1 83 LEU MD2 2.184 . 2.502 2.032 1.993 2.063 . 0 0 "[ . 1 . 2]" 2
462 1 74 LEU HA 1 83 LEU MD2 4.000 . 6.000 2.174 1.983 2.738 0.017 4 0 "[ . 1 . 2]" 2
463 1 10 GLN HA 1 19 LEU QD 4.600 3.200 6.000 3.588 3.220 4.049 . 0 0 "[ . 1 . 2]" 2
464 1 83 LEU MD2 1 85 TYR QE 4.400 2.800 6.000 4.086 3.792 4.568 . 0 0 "[ . 1 . 2]" 2
465 1 56 VAL MG1 1 58 ALA H 3.900 . 6.000 2.223 1.848 2.458 . 0 0 "[ . 1 . 2]" 2
466 1 94 LYS QG 1 95 SER H 4.300 2.600 6.000 4.262 3.438 4.888 . 0 0 "[ . 1 . 2]" 2
467 1 122 LEU QD 1 129 LEU H 5.000 4.000 6.000 4.823 4.576 5.222 . 0 0 "[ . 1 . 2]" 2
468 1 83 LEU MD2 1 84 VAL H 3.582 3.131 4.033 3.389 3.122 3.541 0.009 12 0 "[ . 1 . 2]" 2
469 1 83 LEU H 1 83 LEU MD2 3.931 3.458 4.404 4.029 3.913 4.122 . 0 0 "[ . 1 . 2]" 2
470 1 74 LEU QD 1 83 LEU H 3.238 2.863 6.000 4.291 3.714 4.892 . 0 0 "[ . 1 . 2]" 2
471 1 22 LEU MD1 1 22 LEU MD2 2.495 2.047 3.300 2.065 2.044 2.077 0.003 10 0 "[ . 1 . 2]" 2
472 1 11 VAL MG1 1 11 VAL MG2 2.962 2.075 4.300 2.076 2.064 2.096 0.011 4 0 "[ . 1 . 2]" 2
473 1 119 LEU MD1 1 119 LEU MD2 2.822 . 4.200 2.080 2.056 2.100 . 0 0 "[ . 1 . 2]" 2
474 1 11 VAL QG 1 81 LEU QD 4.100 2.200 6.000 2.699 2.185 3.742 0.015 10 0 "[ . 1 . 2]" 2
475 1 119 LEU QD 1 129 LEU HG 2.880 2.634 4.400 3.461 3.255 4.149 . 0 0 "[ . 1 . 2]" 2
476 1 119 LEU QD 1 129 LEU HB3 4.000 . 6.000 3.082 2.829 3.788 . 0 0 "[ . 1 . 2]" 2
477 1 119 LEU HB3 1 119 LEU QD 2.250 2.150 3.350 2.142 2.102 2.313 0.048 18 0 "[ . 1 . 2]" 2
478 1 22 LEU MD2 1 81 LEU QD 4.100 2.200 6.000 2.335 2.159 2.921 0.041 14 0 "[ . 1 . 2]" 2
479 1 33 ALA MB 1 117 PRO HG2 3.391 2.798 4.484 2.845 2.090 3.576 0.708 17 3 "[ . 1 -* . + 2]" 2
480 1 102 VAL MG2 1 128 THR MG 4.000 . 6.000 2.088 1.993 2.244 0.007 20 0 "[ . 1 . 2]" 2
481 1 41 VAL MG2 1 67 VAL QG 3.900 . 6.000 3.728 2.675 4.525 . 0 0 "[ . 1 . 2]" 2
482 1 88 GLY H 1 98 SER HB3 3.700 2.200 5.200 3.164 2.190 4.205 0.010 4 0 "[ . 1 . 2]" 2
483 1 85 TYR HB3 1 101 SER HB2 4.000 2.300 5.700 4.659 3.609 5.775 0.075 17 0 "[ . 1 . 2]" 2
484 1 106 VAL QG 1 132 SER HB2 4.800 3.600 6.000 3.926 3.228 4.628 0.372 10 0 "[ . 1 . 2]" 2
485 1 23 SER HB3 1 26 SER HB3 3.386 3.119 6.000 5.002 3.744 6.945 0.945 5 2 "[ + 1 .- 2]" 2
486 1 128 THR HA 1 128 THR HB 3.506 2.907 4.105 3.031 3.021 3.039 . 0 0 "[ . 1 . 2]" 2
487 1 123 ASP HB2 1 128 THR HB 3.400 2.300 4.500 3.841 3.575 4.215 . 0 0 "[ . 1 . 2]" 2
488 1 126 THR H 1 128 THR HB 5.000 4.500 5.500 4.842 4.575 5.201 . 0 0 "[ . 1 . 2]" 2
489 1 132 SER HB3 1 133 TRP H 3.896 3.267 4.525 3.903 3.230 4.203 0.037 15 0 "[ . 1 . 2]" 2
490 1 132 SER H 1 132 SER HB3 3.100 2.500 3.700 2.802 2.505 3.708 0.008 7 0 "[ . 1 . 2]" 2
491 1 98 SER H 1 98 SER HB2 3.200 2.300 4.100 3.144 2.624 4.059 . 0 0 "[ . 1 . 2]" 2
492 1 88 GLY H 1 98 SER HB2 3.700 2.200 5.200 3.290 2.184 4.671 0.016 6 0 "[ . 1 . 2]" 2
493 1 109 PRO HA 1 109 PRO HD3 3.193 2.850 6.000 3.783 3.631 3.889 . 0 0 "[ . 1 . 2]" 2
494 1 56 VAL HA 1 56 VAL HB 2.600 2.100 3.100 3.039 3.023 3.052 . 0 0 "[ . 1 . 2]" 2
495 1 104 SER QB 1 105 PHE HA . 4.994 5.608 4.662 4.480 4.807 0.514 19 2 "[ - . 1 . +2]" 2
496 1 120 ILE H 1 120 ILE HA 3.203 2.717 3.689 2.910 2.874 2.945 . 0 0 "[ . 1 . 2]" 2
497 1 77 VAL HA 1 79 GLN H 3.600 3.100 4.100 3.871 3.527 4.135 0.035 9 0 "[ . 1 . 2]" 2
498 1 76 TYR QB 1 77 VAL HA 4.465 3.812 5.118 4.628 4.539 4.764 . 0 0 "[ . 1 . 2]" 2
499 1 95 SER H 1 95 SER HA 2.875 2.540 3.210 2.821 2.755 2.922 . 0 0 "[ . 1 . 2]" 2
500 1 11 VAL HA 1 12 THR HA 4.820 4.205 5.435 4.374 4.312 4.425 . 0 0 "[ . 1 . 2]" 2
501 1 106 VAL HA 1 107 CYS HB3 4.806 4.183 5.429 4.627 4.396 5.637 0.208 14 0 "[ . 1 . 2]" 2
502 1 78 ASP HA 1 79 GLN HA 4.800 4.300 5.300 4.625 4.486 4.793 . 0 0 "[ . 1 . 2]" 2
503 1 127 CYS H 1 127 CYS HA 2.545 2.176 2.914 2.259 2.232 2.276 . 0 0 "[ . 1 . 2]" 2
504 1 32 THR HA 1 42 TYR HA 2.200 . 2.800 2.565 2.318 2.811 0.011 16 0 "[ . 1 . 2]" 2
505 1 18 HIS HA 1 19 LEU HB2 5.080 4.242 5.718 4.321 3.962 4.582 0.280 11 0 "[ . 1 . 2]" 2
506 1 139 CYS HA 1 140 GLU HA 4.548 3.863 5.233 4.323 4.255 4.407 . 0 0 "[ . 1 . 2]" 2
507 1 46 CYS HA 1 72 LYS QB 4.400 3.700 5.100 3.711 2.567 4.657 1.133 6 4 "[ .+* 1 -* 2]" 2
508 1 2 LYS HA 1 2 LYS HG2 3.400 2.650 4.150 3.074 2.451 3.819 0.199 20 0 "[ . 1 . 2]" 2
509 1 105 PHE HA 1 105 PHE HB3 2.783 2.290 3.276 2.475 2.443 2.505 . 0 0 "[ . 1 . 2]" 2
510 1 120 ILE HG13 1 131 PHE HA 4.200 3.400 5.000 4.879 4.590 5.015 0.015 15 0 "[ . 1 . 2]" 2
511 1 119 LEU HA 1 131 PHE HA 2.847 2.356 3.338 2.499 2.388 2.658 . 0 0 "[ . 1 . 2]" 2
512 1 48 GLU HA 1 57 GLY HA3 3.300 . 4.800 3.583 3.156 4.089 . 0 0 "[ . 1 . 2]" 2
513 1 48 GLU HA 1 48 GLU QG 3.700 2.500 4.900 3.271 2.593 3.561 . 0 0 "[ . 1 . 2]" 2
514 1 119 LEU HA 1 119 LEU HG 3.100 2.350 3.850 2.638 2.551 3.313 . 0 0 "[ . 1 . 2]" 2
515 1 119 LEU HA 1 119 LEU HB3 2.700 2.200 3.200 2.990 2.976 3.024 . 0 0 "[ . 1 . 2]" 2
516 1 100 LYS H 1 100 LYS HA 3.200 2.737 3.663 2.919 2.863 2.962 . 0 0 "[ . 1 . 2]" 2
517 1 100 LYS HA 1 100 LYS HB3 2.500 . 3.000 2.430 2.324 2.482 . 0 0 "[ . 1 . 2]" 2
518 1 12 THR HA 1 19 LEU HA 2.600 2.100 3.100 2.226 2.075 2.500 0.025 11 0 "[ . 1 . 2]" 2
519 1 48 GLU H 1 49 ASN HA 3.978 3.433 6.000 5.022 4.768 5.214 . 0 0 "[ . 1 . 2]" 2
520 1 49 ASN HA 1 49 ASN HB2 2.750 2.250 3.250 2.528 2.386 3.020 . 0 0 "[ . 1 . 2]" 2
521 1 49 ASN HA 1 49 ASN HB3 2.750 2.250 3.250 2.898 2.443 3.033 . 0 0 "[ . 1 . 2]" 2
522 1 81 LEU HA 1 81 LEU HG 2.743 2.317 3.169 3.114 2.949 3.388 0.219 7 0 "[ . 1 . 2]" 2
523 1 136 PRO HD2 1 137 LEU H 3.450 2.700 4.200 2.709 2.656 2.838 0.044 14 0 "[ . 1 . 2]" 2
524 1 136 PRO HD3 1 137 LEU H 3.450 2.700 4.200 3.849 3.774 3.950 . 0 0 "[ . 1 . 2]" 2
525 1 60 PHE HA 1 61 GLY HA2 4.254 3.449 5.059 4.338 4.285 4.414 . 0 0 "[ . 1 . 2]" 2
526 1 60 PHE HA 1 61 GLY HA3 4.599 3.774 5.424 4.353 4.294 4.399 . 0 0 "[ . 1 . 2]" 2
527 1 48 GLU QG 1 55 GLY QA 4.800 4.000 6.000 3.429 2.417 4.176 1.583 5 11 "[* *+ ***1 *** -*]" 2
528 1 47 GLY HA3 1 48 GLU QG 4.200 2.400 6.000 4.384 3.815 4.942 . 0 0 "[ . 1 . 2]" 2
529 1 96 GLY HA2 1 97 LEU HG 4.600 3.600 5.600 5.026 4.277 5.984 0.384 7 0 "[ . 1 . 2]" 2
530 1 56 VAL MG1 1 59 CYS HB2 5.200 4.400 6.000 4.398 3.689 4.693 0.711 2 1 "[ + . 1 . 2]" 2
531 1 56 VAL MG1 1 59 CYS HB3 3.619 3.116 6.000 4.195 2.291 4.543 0.825 2 1 "[ + . 1 . 2]" 2
532 1 22 LEU H 1 22 LEU MD1 4.064 3.520 4.608 4.041 3.891 4.179 . 0 0 "[ . 1 . 2]" 2
533 1 121 SER HA 1 121 SER HB2 2.467 2.190 2.744 2.814 2.461 3.037 0.293 18 0 "[ . 1 . 2]" 2
534 1 79 GLN HB2 1 79 GLN HE21 4.500 3.700 5.300 4.143 3.829 4.466 . 0 0 "[ . 1 . 2]" 2
535 1 79 GLN HB3 1 79 GLN HE21 4.500 3.700 5.300 4.053 2.778 4.562 0.922 13 4 "[ -* * 1 + . 2]" 2
536 1 64 ARG HE 1 64 ARG HG3 4.000 . 6.000 2.824 2.339 3.772 . 0 0 "[ . 1 . 2]" 2
537 1 99 TYR QE 1 129 LEU QD 4.400 2.800 6.000 3.763 2.955 4.335 . 0 0 "[ . 1 . 2]" 2
538 1 120 ILE HG13 1 121 SER H 4.307 3.733 5.381 4.964 4.797 5.158 . 0 0 "[ . 1 . 2]" 2
539 1 69 LYS HB3 1 86 LYS H 3.914 3.519 5.500 4.606 3.953 6.039 0.539 3 1 "[ + . 1 . 2]" 2
540 1 39 TRP H 1 39 TRP HB3 3.100 2.300 3.900 3.540 2.713 3.844 . 0 0 "[ . 1 . 2]" 2
541 1 39 TRP HB3 1 39 TRP HZ2 5.690 4.951 6.429 6.291 6.103 6.485 0.056 16 0 "[ . 1 . 2]" 2
542 1 39 TRP HA 1 39 TRP HB2 2.750 2.250 3.250 2.921 2.452 3.039 . 0 0 "[ . 1 . 2]" 2
543 1 39 TRP HA 1 39 TRP HB3 2.750 2.250 3.250 2.469 2.329 2.576 . 0 0 "[ . 1 . 2]" 2
544 1 126 THR H 1 126 THR MG 2.677 2.329 3.025 2.833 2.589 3.035 0.010 6 0 "[ . 1 . 2]" 2
545 1 32 THR MG 1 42 TYR QD 3.800 2.500 5.100 3.026 2.576 3.478 . 0 0 "[ . 1 . 2]" 2
546 1 63 THR HA 1 65 ILE MD 4.500 3.000 6.000 5.427 4.914 6.011 0.011 20 0 "[ . 1 . 2]" 2
547 1 65 ILE MD 1 66 SER H 4.400 3.100 5.700 5.231 5.014 5.383 . 0 0 "[ . 1 . 2]" 2
548 1 60 PHE QD 1 65 ILE MD 4.500 3.000 6.000 3.113 2.960 3.794 0.040 5 0 "[ . 1 . 2]" 2
549 1 65 ILE MD 1 99 TYR QE 4.600 3.200 6.000 4.645 3.820 5.498 . 0 0 "[ . 1 . 2]" 2
550 1 60 PHE QE 1 65 ILE MD 5.800 4.300 6.000 4.416 4.269 5.057 0.031 3 0 "[ . 1 . 2]" 2
551 1 43 MET ME 1 103 ILE MD 3.500 2.100 4.900 2.429 2.063 3.354 0.037 10 0 "[ . 1 . 2]" 2
552 1 43 MET ME 1 103 ILE HG12 4.300 2.600 6.000 2.993 2.589 3.739 0.011 13 0 "[ . 1 . 2]" 2
553 1 43 MET HB3 1 43 MET ME 3.200 . 4.400 2.549 2.041 3.085 . 0 0 "[ . 1 . 2]" 2
554 1 43 MET ME 1 117 PRO HG2 3.824 3.473 5.500 3.919 3.152 4.845 0.321 19 0 "[ . 1 . 2]" 2
555 1 43 MET ME 1 43 MET HG2 2.803 2.454 3.352 3.089 2.486 3.418 0.066 6 0 "[ . 1 . 2]" 2
556 1 43 MET ME 1 43 MET HG3 2.941 2.582 4.000 2.842 2.448 3.419 0.134 5 0 "[ . 1 . 2]" 2
557 1 43 MET ME 1 131 PHE HB3 4.300 2.900 5.700 3.170 2.870 3.788 0.030 8 0 "[ . 1 . 2]" 2
558 1 43 MET ME 1 131 PHE HB2 4.300 2.900 5.700 3.369 2.882 3.873 0.018 14 0 "[ . 1 . 2]" 2
559 1 43 MET ME 1 131 PHE QE 4.600 3.200 6.000 3.768 3.184 4.810 0.016 19 0 "[ . 1 . 2]" 2
560 1 43 MET ME 1 133 TRP HZ3 4.077 3.208 4.946 4.099 3.180 4.973 0.028 6 0 "[ . 1 . 2]" 2
561 1 43 MET ME 1 131 PHE QD 4.500 3.000 6.000 3.266 2.977 4.104 0.023 4 0 "[ . 1 . 2]" 2
562 1 43 MET HA 1 43 MET ME 3.778 3.323 4.333 4.242 4.148 4.341 0.008 5 0 "[ . 1 . 2]" 2
563 1 118 MET HA 1 118 MET ME 4.400 2.800 6.000 4.014 2.915 4.606 . 0 0 "[ . 1 . 2]" 2
564 1 118 MET H 1 118 MET ME 5.039 3.975 6.000 4.767 3.935 6.014 0.040 6 0 "[ . 1 . 2]" 2
565 1 118 MET ME 1 118 MET HG2 2.938 2.415 3.461 2.684 2.410 3.418 0.005 1 0 "[ . 1 . 2]" 2
566 1 118 MET HB2 1 118 MET ME 3.500 2.200 4.800 3.214 2.025 4.299 0.175 9 0 "[ . 1 . 2]" 2
567 1 120 ILE HA 1 120 ILE MG 3.100 2.400 3.800 2.457 2.411 2.498 . 0 0 "[ . 1 . 2]" 2
568 1 103 ILE HA 1 103 ILE MG 2.455 2.079 2.831 2.361 2.331 2.408 . 0 0 "[ . 1 . 2]" 2
569 1 103 ILE MG 1 131 PHE HB2 4.100 2.800 5.400 2.877 2.775 3.182 0.025 1 0 "[ . 1 . 2]" 2
570 1 103 ILE HB 1 103 ILE MG 2.781 . 4.000 2.140 2.130 2.145 . 0 0 "[ . 1 . 2]" 2
571 1 83 LEU HB2 1 103 ILE MG 3.237 2.776 3.698 3.651 3.456 3.728 0.030 20 0 "[ . 1 . 2]" 2
572 1 103 ILE MG 1 105 PHE HZ 3.500 2.600 4.400 2.786 2.685 2.948 . 0 0 "[ . 1 . 2]" 2
573 1 103 ILE MG 1 105 PHE QE 3.170 2.747 3.593 2.870 2.743 3.003 0.004 5 0 "[ . 1 . 2]" 2
574 1 103 ILE MG 1 104 SER H 2.870 2.234 3.606 2.868 2.604 3.032 . 0 0 "[ . 1 . 2]" 2
575 1 60 PHE H 1 67 VAL QG 4.200 2.700 5.500 2.912 2.453 3.187 0.247 17 0 "[ . 1 . 2]" 2
576 1 103 ILE H 1 103 ILE MG 3.200 2.500 3.900 3.827 3.789 3.855 . 0 0 "[ . 1 . 2]" 2
577 1 103 ILE HG12 1 103 ILE MG 2.097 . 2.455 2.387 2.361 2.416 . 0 0 "[ . 1 . 2]" 2
578 1 65 ILE MG 1 99 TYR QD 4.500 3.000 6.000 3.570 3.017 4.000 . 0 0 "[ . 1 . 2]" 2
579 1 60 PHE QD 1 65 ILE MG 3.800 2.500 5.100 4.068 3.710 4.563 . 0 0 "[ . 1 . 2]" 2
580 1 65 ILE MG 1 99 TYR QE 4.200 2.400 6.000 3.806 3.177 4.568 . 0 0 "[ . 1 . 2]" 2
581 1 45 ILE MG 1 105 PHE HZ 2.826 2.399 3.853 2.517 2.373 3.001 0.026 17 0 "[ . 1 . 2]" 2
582 1 45 ILE MG 1 105 PHE QE 4.500 3.100 5.900 3.251 3.069 3.553 0.031 16 0 "[ . 1 . 2]" 2
583 1 103 ILE HB 1 103 ILE MD 3.100 2.400 3.800 2.426 2.397 2.449 0.003 11 0 "[ . 1 . 2]" 2
584 1 83 LEU HB2 1 103 ILE MD 3.300 2.400 4.200 3.148 2.860 3.607 . 0 0 "[ . 1 . 2]" 2
585 1 103 ILE MD 1 103 ILE HG12 2.292 2.021 6.600 2.120 2.116 2.124 . 0 0 "[ . 1 . 2]" 2
586 1 83 LEU HB3 1 103 ILE MD 3.300 2.400 4.200 3.624 3.225 4.131 . 0 0 "[ . 1 . 2]" 2
587 1 85 TYR QE 1 103 ILE MD 2.900 . 4.100 2.014 1.836 2.181 . 0 0 "[ . 1 . 2]" 2
588 1 103 ILE MD 1 131 PHE QD 4.413 3.580 5.246 4.069 3.759 4.394 . 0 0 "[ . 1 . 2]" 2
589 1 103 ILE H 1 103 ILE MD 3.636 3.206 3.836 3.823 3.717 3.874 0.038 4 0 "[ . 1 . 2]" 2
590 1 45 ILE MG 1 85 TYR HH 4.700 3.900 5.500 4.293 3.991 5.039 . 0 0 "[ . 1 . 2]" 2
591 1 45 ILE MD 1 46 CYS H 4.800 3.600 6.000 4.316 3.688 5.421 . 0 0 "[ . 1 . 2]" 2
592 1 45 ILE MD 1 133 TRP HZ3 3.300 2.400 4.200 2.440 2.373 2.636 0.027 8 0 "[ . 1 . 2]" 2
593 1 45 ILE MD 1 105 PHE HZ 3.600 2.300 4.900 3.253 2.277 4.923 0.023 17 0 "[ . 1 . 2]" 2
594 1 45 ILE MD 1 105 PHE QE 4.300 2.600 6.000 3.626 2.577 5.078 0.023 5 0 "[ . 1 . 2]" 2
595 1 45 ILE HA 1 45 ILE MG 2.338 . 2.717 2.453 2.371 2.590 . 0 0 "[ . 1 . 2]" 2
596 1 45 ILE MD 1 45 ILE HG12 2.153 . 2.527 2.112 2.097 2.122 . 0 0 "[ . 1 . 2]" 2
597 1 45 ILE MD 1 45 ILE HG13 2.118 . 2.476 2.123 2.111 2.129 . 0 0 "[ . 1 . 2]" 2
598 1 45 ILE MD 1 83 LEU MD1 4.400 2.800 6.000 4.020 3.107 5.112 . 0 0 "[ . 1 . 2]" 2
599 1 45 ILE MD 1 103 ILE MD 4.100 2.200 6.000 3.026 2.200 4.473 0.000 1 0 "[ . 1 . 2]" 2
600 1 22 LEU MD1 1 105 PHE HZ 2.833 2.383 3.283 3.098 2.733 3.292 0.009 13 0 "[ . 1 . 2]" 2
601 1 22 LEU MD1 1 105 PHE QE 4.400 2.800 6.000 2.880 2.773 3.080 0.027 17 0 "[ . 1 . 2]" 2
602 1 25 LEU QD 1 105 PHE QE 3.370 2.894 3.846 2.933 2.077 3.241 0.817 15 2 "[ . 1 -+ 2]" 2
603 1 97 LEU MD1 1 98 SER H 3.500 2.100 4.900 4.375 3.095 4.795 . 0 0 "[ . 1 . 2]" 2
604 1 74 LEU H 1 83 LEU MD2 3.836 3.187 4.485 3.531 3.187 3.929 . 0 0 "[ . 1 . 2]" 2
605 1 56 VAL MG1 1 57 GLY HA2 4.500 3.000 6.000 3.987 3.759 4.119 . 0 0 "[ . 1 . 2]" 2
606 1 122 LEU QD 1 127 CYS HA 3.384 2.961 4.900 4.518 4.116 4.761 . 0 0 "[ . 1 . 2]" 2
607 1 97 LEU HA 1 97 LEU MD1 3.600 . 5.200 3.748 3.057 3.879 . 0 0 "[ . 1 . 2]" 2
608 1 83 LEU MD1 1 85 TYR QE 4.400 2.800 6.000 3.292 2.730 3.981 0.070 8 0 "[ . 1 . 2]" 2
609 1 83 LEU MD1 1 105 PHE HZ 4.100 2.200 6.000 2.375 2.177 2.696 0.023 13 0 "[ . 1 . 2]" 2
610 1 83 LEU MD1 1 105 PHE QE 4.000 . 6.000 2.106 1.957 2.299 0.043 10 0 "[ . 1 . 2]" 2
611 1 124 LYS H 1 124 LYS QG 3.900 3.200 4.600 3.065 2.068 4.075 1.132 16 12 "[* . -* ******+** 2]" 2
612 1 19 LEU H 1 19 LEU QD . 4.230 4.413 3.788 3.732 3.847 0.498 15 0 "[ . 1 . 2]" 2
613 1 81 LEU QD 1 81 LEU HG 2.111 . 2.474 1.897 1.856 1.908 . 0 0 "[ . 1 . 2]" 2
614 1 92 PRO HD2 1 92 PRO HG3 2.650 2.150 3.150 2.869 2.694 2.995 . 0 0 "[ . 1 . 2]" 2
615 1 113 PRO HD3 1 113 PRO HG3 2.162 . 2.399 2.303 2.263 2.326 . 0 0 "[ . 1 . 2]" 2
616 1 103 ILE H 1 103 ILE HG12 4.233 3.691 4.775 3.688 3.667 3.733 0.024 6 0 "[ . 1 . 2]" 2
617 1 103 ILE MD 1 103 ILE HG13 2.164 . 2.541 2.121 2.112 2.126 . 0 0 "[ . 1 . 2]" 2
618 1 20 PHE HZ 1 140 GLU HB2 3.900 2.900 4.900 4.412 3.487 5.482 0.582 10 1 "[ . + . 2]" 2
619 1 28 ARG HE 1 28 ARG HG3 3.200 2.500 3.900 3.096 2.386 3.810 0.114 4 0 "[ . 1 . 2]" 2
620 1 136 PRO HA 1 136 PRO HB2 2.500 . 3.000 2.720 2.676 2.935 . 0 0 "[ . 1 . 2]" 2
621 1 136 PRO HA 1 136 PRO HB3 2.500 . 3.000 2.323 2.301 2.343 . 0 0 "[ . 1 . 2]" 2
622 1 109 PRO HA 1 109 PRO HB3 2.782 2.498 3.066 2.299 2.270 2.327 0.228 16 0 "[ . 1 . 2]" 2
623 1 14 PRO HA 1 14 PRO HB2 2.500 . 3.000 2.847 2.698 2.976 . 0 0 "[ . 1 . 2]" 2
624 1 121 SER H 1 130 PHE HB3 4.001 2.912 4.590 3.521 3.310 3.713 . 0 0 "[ . 1 . 2]" 2
625 1 42 TYR HB3 1 42 TYR QD 3.000 2.300 3.700 2.393 2.295 2.541 0.005 11 0 "[ . 1 . 2]" 2
626 1 4 ASN QB 1 4 ASN HD22 4.506 3.049 5.363 3.279 3.190 3.477 . 0 0 "[ . 1 . 2]" 2
627 1 112 GLY H 1 112 GLY HA3 2.800 2.300 3.300 2.707 2.374 2.949 . 0 0 "[ . 1 . 2]" 2
628 1 52 CYS HA 1 53 PRO HD3 2.900 . 4.400 2.287 2.044 2.759 . 0 0 "[ . 1 . 2]" 2
629 1 52 CYS HA 1 52 CYS HB2 2.700 2.100 3.300 3.030 3.013 3.053 . 0 0 "[ . 1 . 2]" 2
630 1 85 TYR HA 1 85 TYR QD 3.300 . 4.600 2.704 2.156 3.083 . 0 0 "[ . 1 . 2]" 2
631 1 70 ALA HA 1 70 ALA MB 2.048 . 2.379 2.119 2.105 2.136 . 0 0 "[ . 1 . 2]" 2
632 1 58 ALA HA 1 59 CYS H 2.459 2.022 2.896 2.158 2.117 2.234 . 0 0 "[ . 1 . 2]" 2
633 1 45 ILE HA 1 85 TYR HH 3.000 2.200 3.800 2.785 2.139 3.839 0.061 5 0 "[ . 1 . 2]" 2
634 1 111 ALA HA 1 115 ASN HD21 3.600 . 5.900 5.574 3.887 6.687 0.787 12 2 "[ . 1 + . - 2]" 2
635 1 66 SER HG 1 88 GLY HA2 3.599 2.542 4.456 3.626 2.552 4.135 . 0 0 "[ . 1 . 2]" 2
636 1 56 VAL MG2 1 66 SER HG 3.900 2.700 5.100 4.324 3.474 4.972 . 0 0 "[ . 1 . 2]" 2
637 1 56 VAL MG1 1 66 SER HG 3.900 2.200 5.600 4.343 4.100 4.546 . 0 0 "[ . 1 . 2]" 2
638 1 120 ILE MD 1 120 ILE QG 1.721 . 1.961 1.892 1.886 1.901 . 0 0 "[ . 1 . 2]" 2
639 1 118 MET ME 1 120 ILE MD 4.700 3.400 6.000 4.000 3.343 5.924 0.057 4 0 "[ . 1 . 2]" 2
640 1 120 ILE HB 1 120 ILE MD 3.134 2.758 3.510 3.250 3.232 3.260 . 0 0 "[ . 1 . 2]" 2
641 1 120 ILE MD 1 132 SER QB 3.800 2.600 5.000 2.705 2.541 3.646 0.059 13 0 "[ . 1 . 2]" 2
642 1 120 ILE HA 1 120 ILE MD 2.142 . 2.434 2.044 2.005 2.079 . 0 0 "[ . 1 . 2]" 2
643 1 120 ILE H 1 120 ILE MD 3.877 3.381 4.373 3.494 3.377 3.746 0.004 19 0 "[ . 1 . 2]" 2
644 1 65 ILE HB 1 65 ILE MD 2.037 . 6.000 2.447 2.409 2.494 . 0 0 "[ . 1 . 2]" 2
645 1 65 ILE MD 1 65 ILE QG 1.869 . 2.149 1.886 1.881 1.890 . 0 0 "[ . 1 . 2]" 2
646 1 65 ILE HA 1 65 ILE MD 3.598 3.216 3.980 3.850 3.808 3.892 . 0 0 "[ . 1 . 2]" 2
647 1 103 ILE HA 1 103 ILE MD 4.163 3.591 4.735 3.880 3.851 3.906 . 0 0 "[ . 1 . 2]" 2
648 1 101 SER HB2 1 103 ILE MD 4.700 3.400 6.000 4.492 3.969 5.337 . 0 0 "[ . 1 . 2]" 2
649 1 101 SER HB3 1 103 ILE MD 4.700 3.400 6.000 4.438 3.610 5.705 . 0 0 "[ . 1 . 2]" 2
650 1 105 PHE HB3 1 135 THR MG 3.500 . 4.900 2.099 1.946 2.502 0.054 2 0 "[ . 1 . 2]" 2
651 1 105 PHE HB2 1 135 THR MG 3.700 2.200 4.900 3.478 3.264 3.924 . 0 0 "[ . 1 . 2]" 2
652 1 135 THR HB 1 135 THR MG 2.567 2.027 2.907 2.143 2.136 2.152 . 0 0 "[ . 1 . 2]" 2
653 1 135 THR MG 1 136 PRO HD2 4.637 3.958 5.316 4.001 3.815 4.267 0.143 2 0 "[ . 1 . 2]" 2
654 1 135 THR MG 1 138 ALA H 2.385 2.032 2.738 2.356 2.074 2.699 . 0 0 "[ . 1 . 2]" 2
655 1 105 PHE QD 1 135 THR MG 4.100 2.200 6.000 2.338 2.173 2.588 0.027 13 0 "[ . 1 . 2]" 2
656 1 135 THR H 1 135 THR MG 2.857 . 3.227 2.289 2.162 2.362 . 0 0 "[ . 1 . 2]" 2
657 1 135 THR MG 1 137 LEU H 2.911 2.474 3.348 2.775 2.461 3.094 0.013 2 0 "[ . 1 . 2]" 2
658 1 106 VAL H 1 135 THR MG 4.031 3.525 4.537 3.768 3.499 4.128 0.026 7 0 "[ . 1 . 2]" 2
659 1 135 THR HA 1 135 THR MG 3.534 3.027 4.041 3.236 3.219 3.254 . 0 0 "[ . 1 . 2]" 2
660 1 135 THR HA 1 135 THR HB 2.700 2.200 3.200 2.441 2.376 2.494 . 0 0 "[ . 1 . 2]" 2
661 1 136 PRO HB2 1 136 PRO HD2 3.500 2.750 4.250 3.943 3.042 4.075 . 0 0 "[ . 1 . 2]" 2
662 1 136 PRO HA 1 136 PRO HG3 4.000 3.300 4.700 3.982 3.278 4.082 0.022 15 0 "[ . 1 . 2]" 2
663 1 136 PRO HA 1 136 PRO HG2 4.000 3.300 4.700 3.857 3.793 4.043 . 0 0 "[ . 1 . 2]" 2
664 1 92 PRO HD3 1 99 TYR QE 4.300 2.600 6.000 3.185 2.266 5.559 0.334 4 0 "[ . 1 . 2]" 2
665 1 92 PRO HD2 1 92 PRO HG2 2.650 2.150 3.150 2.303 2.267 2.329 . 0 0 "[ . 1 . 2]" 2
666 1 142 ALA H 1 142 ALA HA 3.055 2.652 3.458 2.901 2.857 2.926 . 0 0 "[ . 1 . 2]" 2
667 1 13 ASN H 1 13 ASN QB 3.000 2.100 3.900 2.406 2.254 2.964 . 0 0 "[ . 1 . 2]" 2
668 1 13 ASN QB 1 76 TYR QE 4.800 3.600 6.000 3.943 3.012 4.937 0.588 6 1 "[ .+ 1 . 2]" 2
669 1 105 PHE HB2 1 105 PHE QD 3.000 2.300 3.700 2.400 2.329 2.475 . 0 0 "[ . 1 . 2]" 2
670 1 105 PHE HB3 1 105 PHE QD 3.000 2.300 3.700 2.367 2.335 2.412 . 0 0 "[ . 1 . 2]" 2
671 1 52 CYS HA 1 52 CYS HB3 2.700 2.100 3.300 2.507 2.424 2.585 . 0 0 "[ . 1 . 2]" 2
672 1 52 CYS HB2 1 56 VAL MG1 4.200 2.400 6.000 3.475 3.168 3.841 . 0 0 "[ . 1 . 2]" 2
673 1 52 CYS HB3 1 56 VAL MG1 4.200 2.400 6.000 2.836 2.404 3.443 . 0 0 "[ . 1 . 2]" 2
674 1 13 ASN H 1 13 ASN HA 2.900 2.400 3.400 2.913 2.885 2.934 . 0 0 "[ . 1 . 2]" 2
675 1 13 ASN HA 1 76 TYR QD 5.300 4.600 6.000 5.114 4.579 5.798 0.021 8 0 "[ . 1 . 2]" 2
676 1 13 ASN HA 1 13 ASN QB 2.750 2.250 3.250 2.343 2.190 2.444 0.060 6 0 "[ . 1 . 2]" 2
677 1 53 PRO HB3 1 53 PRO HD3 3.744 2.668 4.320 3.946 2.952 4.081 . 0 0 "[ . 1 . 2]" 2
678 1 53 PRO HD3 1 56 VAL HB 4.400 2.600 6.000 4.702 3.947 5.534 . 0 0 "[ . 1 . 2]" 2
679 1 53 PRO HD3 1 53 PRO HG3 2.500 . 3.000 2.305 2.263 2.328 . 0 0 "[ . 1 . 2]" 2
680 1 53 PRO HD3 1 53 PRO HG2 2.500 . 3.000 2.715 2.653 2.990 . 0 0 "[ . 1 . 2]" 2
681 1 53 PRO HB3 1 53 PRO HD2 4.025 2.998 4.452 3.882 3.820 3.981 . 0 0 "[ . 1 . 2]" 2
682 1 52 CYS HA 1 53 PRO HD2 2.900 . 3.900 2.929 2.227 3.325 . 0 0 "[ . 1 . 2]" 2
683 1 53 PRO HD2 1 56 VAL MG1 4.300 2.600 6.000 3.399 2.582 4.411 0.018 2 0 "[ . 1 . 2]" 2
684 1 53 PRO HD2 1 56 VAL MG2 4.300 2.600 6.000 2.673 2.574 3.184 0.026 11 0 "[ . 1 . 2]" 2
685 1 53 PRO HD3 1 56 VAL MG1 4.300 2.600 6.000 4.774 3.974 5.678 . 0 0 "[ . 1 . 2]" 2
686 1 53 PRO HD3 1 56 VAL MG2 4.300 2.600 6.000 4.133 3.996 4.412 . 0 0 "[ . 1 . 2]" 2
687 1 82 GLN HB2 1 82 GLN HE21 3.700 2.700 4.700 3.555 2.755 4.407 . 0 0 "[ . 1 . 2]" 2
688 1 82 GLN HB3 1 82 GLN HE21 3.700 2.700 4.700 3.645 2.803 4.449 . 0 0 "[ . 1 . 2]" 2
689 1 125 GLN HG3 1 126 THR H 4.700 4.100 5.300 4.414 4.064 4.991 0.036 9 0 "[ . 1 . 2]" 2
690 1 125 GLN H 1 125 GLN HG2 3.100 2.200 4.000 3.451 2.427 3.760 . 0 0 "[ . 1 . 2]" 2
691 1 125 GLN HA 1 125 GLN HG3 2.800 2.300 3.300 3.144 2.899 3.754 0.454 13 0 "[ . 1 . 2]" 2
692 1 125 GLN HG3 1 126 THR MG 5.500 5.000 6.000 5.345 4.975 5.634 0.025 9 0 "[ . 1 . 2]" 2
693 1 125 GLN HG2 1 126 THR MG 5.500 5.000 6.000 5.406 5.227 5.628 . 0 0 "[ . 1 . 2]" 2
694 1 108 ARG H 1 108 ARG QB 3.401 2.793 4.000 2.651 2.587 2.760 0.206 2 0 "[ . 1 . 2]" 2
695 1 108 ARG HA 1 108 ARG QB 2.750 2.250 3.250 2.391 2.358 2.437 . 0 0 "[ . 1 . 2]" 2
696 1 106 VAL QG 1 108 ARG QB 4.500 3.000 6.000 3.955 3.300 4.783 . 0 0 "[ . 1 . 2]" 2
697 1 134 HIS HA 1 134 HIS HB2 3.498 2.986 4.010 3.029 2.988 3.047 . 0 0 "[ . 1 . 2]" 2
698 1 134 HIS HA 1 134 HIS HB3 2.877 2.367 3.387 2.502 2.433 2.566 . 0 0 "[ . 1 . 2]" 2
699 1 116 ARG HA 1 116 ARG HD3 5.000 4.250 5.750 4.912 4.436 5.564 . 0 0 "[ . 1 . 2]" 2
700 1 116 ARG HA 1 116 ARG HD2 5.000 4.250 5.750 4.773 4.275 5.566 . 0 0 "[ . 1 . 2]" 2
701 1 116 ARG H 1 116 ARG HA 2.900 2.400 3.400 2.910 2.855 2.944 . 0 0 "[ . 1 . 2]" 2
702 1 116 ARG HB3 1 116 ARG HD3 3.100 2.400 3.800 3.090 2.426 3.785 . 0 0 "[ . 1 . 2]" 2
703 1 116 ARG HB3 1 116 ARG HD2 3.100 2.400 3.800 3.073 2.397 3.784 0.003 8 0 "[ . 1 . 2]" 2
704 1 28 ARG HD2 1 28 ARG HE 2.800 2.300 3.300 2.724 2.358 2.934 . 0 0 "[ . 1 . 2]" 2
705 1 64 ARG H 1 64 ARG HD2 4.550 3.540 6.000 5.164 4.516 5.522 . 0 0 "[ . 1 . 2]" 2
706 1 74 LEU HA 1 74 LEU HB3 2.932 2.414 3.450 2.869 2.514 3.022 . 0 0 "[ . 1 . 2]" 2
707 1 131 PHE HB3 1 131 PHE QD 3.050 2.300 3.800 2.449 2.360 2.514 . 0 0 "[ . 1 . 2]" 2
708 1 91 CYS HA 1 91 CYS HB3 2.750 2.250 3.250 2.436 2.401 2.466 . 0 0 "[ . 1 . 2]" 2
709 1 90 PRO HA 1 91 CYS HB3 4.900 4.000 5.800 5.616 5.548 5.677 . 0 0 "[ . 1 . 2]" 2
710 1 91 CYS HB3 1 92 PRO HD3 4.500 3.200 5.800 3.974 3.430 4.299 . 0 0 "[ . 1 . 2]" 2
711 1 81 LEU QB 1 105 PHE QD 3.888 2.316 4.560 2.692 2.296 3.024 0.020 10 0 "[ . 1 . 2]" 2
712 1 89 SER HA 1 89 SER HB2 2.750 2.250 3.250 2.844 2.468 3.036 . 0 0 "[ . 1 . 2]" 2
713 1 89 SER HA 1 89 SER HB3 2.750 2.250 3.250 2.630 2.394 3.060 . 0 0 "[ . 1 . 2]" 2
714 1 65 ILE MG 1 89 SER HB3 3.300 . 4.050 3.008 2.395 3.487 . 0 0 "[ . 1 . 2]" 2
715 1 89 SER H 1 89 SER HB3 3.000 2.250 3.750 3.184 2.438 3.580 . 0 0 "[ . 1 . 2]" 2
716 1 89 SER HB3 1 99 TYR QD 4.000 . 6.000 3.144 1.991 4.364 0.009 10 0 "[ . 1 . 2]" 2
717 1 89 SER HB2 1 99 TYR QD 4.000 . 6.000 2.777 1.996 3.963 0.004 6 0 "[ . 1 . 2]" 2
718 1 65 ILE MG 1 89 SER HB2 3.300 . 4.050 2.590 2.121 3.139 . 0 0 "[ . 1 . 2]" 2
719 1 91 CYS HA 1 91 CYS HB2 3.400 2.400 4.400 3.015 2.996 3.031 . 0 0 "[ . 1 . 2]" 2
720 1 112 GLY HA3 1 113 PRO HG2 4.700 3.400 6.000 4.475 4.208 5.200 . 0 0 "[ . 1 . 2]" 2
721 1 112 GLY HA2 1 113 PRO HG2 4.900 4.100 5.700 5.318 4.010 5.798 0.098 19 0 "[ . 1 . 2]" 2
722 1 32 THR MG 1 40 GLY HA3 4.000 . 6.000 3.368 2.305 4.477 . 0 0 "[ . 1 . 2]" 2
723 1 117 PRO HA 1 133 TRP HA 3.000 . 4.500 2.798 1.993 3.879 . 0 0 "[ . 1 . 2]" 2
724 1 117 PRO HA 1 133 TRP HB2 3.553 2.053 4.179 3.308 2.928 3.936 . 0 0 "[ . 1 . 2]" 2
725 1 117 PRO HA 1 133 TRP HB3 4.000 2.500 5.500 4.795 4.508 5.312 . 0 0 "[ . 1 . 2]" 2
726 1 118 MET H 1 118 MET HG3 3.500 2.100 4.900 3.613 2.396 4.740 . 0 0 "[ . 1 . 2]" 2
727 1 54 PRO HB2 1 55 GLY H 4.834 3.792 5.476 4.051 3.650 4.258 0.142 2 0 "[ . 1 . 2]" 2
728 1 18 HIS H 1 18 HIS HA 2.762 2.409 3.115 2.911 2.850 2.942 . 0 0 "[ . 1 . 2]" 2
729 1 76 TYR QD 1 77 VAL HA 4.697 4.130 6.000 4.539 4.114 4.978 0.016 17 0 "[ . 1 . 2]" 2
730 1 103 ILE MD 1 105 PHE QE 4.800 3.600 6.000 3.778 3.573 4.068 0.027 6 0 "[ . 1 . 2]" 2
731 1 91 CYS HB2 1 97 LEU MD2 4.700 3.400 6.000 5.184 4.286 5.889 . 0 0 "[ . 1 . 2]" 2
732 1 91 CYS HB2 1 97 LEU HB2 4.300 2.700 5.900 3.089 2.279 4.221 0.421 2 0 "[ . 1 . 2]" 2
733 1 91 CYS HB3 1 97 LEU HB3 4.300 2.700 5.900 4.928 4.236 5.504 . 0 0 "[ . 1 . 2]" 2
734 1 91 CYS HB2 1 92 PRO HD3 4.500 3.700 5.300 4.790 4.573 5.023 . 0 0 "[ . 1 . 2]" 2
735 1 22 LEU MD2 1 22 LEU HG 2.036 . 2.480 2.133 2.123 2.141 . 0 0 "[ . 1 . 2]" 2
736 1 22 LEU HA 1 22 LEU HG 3.100 2.600 3.600 3.122 3.055 3.197 . 0 0 "[ . 1 . 2]" 2
737 1 10 GLN HA 1 74 LEU QD 4.300 2.600 6.000 2.790 2.559 3.213 0.041 5 0 "[ . 1 . 2]" 2
738 1 111 ALA MB 1 135 THR HA 4.600 3.200 6.000 3.791 3.111 5.399 0.089 18 0 "[ . 1 . 2]" 2
739 1 58 ALA HA 1 58 ALA MB 2.600 . 3.200 2.134 2.128 2.143 . 0 0 "[ . 1 . 2]" 2
740 1 41 VAL MG1 1 58 ALA HA 4.700 3.400 6.000 4.827 3.975 6.712 0.712 15 2 "[ . 1 -+ 2]" 2
741 1 43 MET QB 1 58 ALA HA 3.559 3.022 4.096 3.719 3.247 4.094 . 0 0 "[ . 1 . 2]" 2
742 1 53 PRO HB3 1 56 VAL MG2 4.000 . 6.000 3.965 3.424 4.629 . 0 0 "[ . 1 . 2]" 2
743 1 53 PRO HA 1 53 PRO HB3 2.550 2.050 3.050 2.324 2.299 2.344 . 0 0 "[ . 1 . 2]" 2
744 1 53 PRO HD2 1 53 PRO HG3 3.500 2.200 4.800 2.952 2.659 2.999 . 0 0 "[ . 1 . 2]" 2
745 1 79 GLN HA 1 79 GLN HB3 2.750 2.250 3.250 2.631 2.489 3.037 . 0 0 "[ . 1 . 2]" 2
746 1 82 GLN HB2 1 82 GLN HE22 3.700 2.950 4.450 4.211 3.782 4.578 0.128 7 0 "[ . 1 . 2]" 2
747 1 82 GLN HB3 1 82 GLN HE22 3.700 2.950 4.450 4.225 3.730 4.671 0.221 10 0 "[ . 1 . 2]" 2
748 1 128 THR MG 1 130 PHE QE 3.559 2.975 4.643 3.061 2.968 3.142 0.007 9 0 "[ . 1 . 2]" 2
749 1 128 THR MG 1 130 PHE HZ 4.100 3.100 5.100 3.082 3.058 3.105 0.042 8 0 "[ . 1 . 2]" 2
750 1 100 LYS HD3 1 128 THR MG 3.510 2.656 4.364 3.604 3.094 4.367 0.003 1 0 "[ . 1 . 2]" 2
751 1 102 VAL MG1 1 130 PHE QE 3.814 2.979 4.849 3.260 2.963 3.701 0.016 12 0 "[ . 1 . 2]" 2
752 1 102 VAL MG1 1 130 PHE HZ 3.878 3.501 6.100 5.202 4.802 5.617 . 0 0 "[ . 1 . 2]" 2
753 1 76 TYR QD 1 81 LEU QD 3.400 . 4.700 2.276 1.959 3.731 0.041 6 0 "[ . 1 . 2]" 2
754 1 119 LEU QD 1 131 PHE QE 4.400 2.800 6.000 2.881 2.640 3.115 0.160 9 0 "[ . 1 . 2]" 2
755 1 119 LEU QD 1 131 PHE HZ 4.600 3.500 5.700 3.528 3.073 3.948 0.427 14 0 "[ . 1 . 2]" 2
756 1 20 PHE QE 1 140 GLU HA 3.600 2.700 4.500 3.158 2.661 3.982 0.039 16 0 "[ . 1 . 2]" 2
757 1 20 PHE QD 1 140 GLU HA 4.929 4.133 6.025 4.599 4.117 5.556 0.016 20 0 "[ . 1 . 2]" 2
758 1 20 PHE QE 1 140 GLU HG3 4.700 3.400 6.000 4.768 3.052 5.839 0.348 9 0 "[ . 1 . 2]" 2
759 1 20 PHE QE 1 140 GLU HB2 4.800 3.600 6.000 4.561 3.645 5.782 . 0 0 "[ . 1 . 2]" 2
760 1 140 GLU HB2 1 141 LEU H 4.200 3.600 4.800 4.159 3.583 4.486 0.017 8 0 "[ . 1 . 2]" 2
761 1 20 PHE HZ 1 140 GLU HG3 4.200 3.000 5.400 4.515 2.975 5.349 0.025 9 0 "[ . 1 . 2]" 2
762 1 20 PHE HZ 1 140 GLU HG2 4.200 3.000 5.400 3.264 2.869 4.330 0.131 9 0 "[ . 1 . 2]" 2
763 1 111 ALA MB 1 115 ASN HD21 4.000 . 6.000 3.809 2.333 4.724 . 0 0 "[ . 1 . 2]" 2
764 1 111 ALA MB 1 136 PRO HG2 3.200 . 4.700 4.020 2.667 4.734 0.034 3 0 "[ . 1 . 2]" 2
765 1 111 ALA MB 1 136 PRO HD3 3.700 2.100 5.300 2.508 2.045 3.906 0.055 14 0 "[ . 1 . 2]" 2
766 1 111 ALA MB 1 115 ASN QB 4.500 3.000 6.000 3.676 2.835 5.250 0.165 4 0 "[ . 1 . 2]" 2
767 1 111 ALA MB 1 136 PRO HB3 4.400 2.900 5.900 3.637 2.635 4.508 0.265 7 0 "[ . 1 . 2]" 2
768 1 13 ASN QD 1 16 THR MG 4.700 3.400 6.000 3.992 3.022 4.892 0.378 19 0 "[ . 1 . 2]" 2
769 1 16 THR HA 1 16 THR MG 2.400 2.112 2.688 2.244 2.179 2.310 . 0 0 "[ . 1 . 2]" 2
770 1 126 THR HA 1 126 THR MG 1.999 . 6.000 2.293 2.238 2.345 . 0 0 "[ . 1 . 2]" 2
771 1 125 GLN HB3 1 126 THR MG 3.671 3.100 4.242 3.350 3.092 3.546 0.008 4 0 "[ . 1 . 2]" 2
772 1 125 GLN HB2 1 126 THR MG 3.329 2.710 3.948 3.248 2.805 3.512 . 0 0 "[ . 1 . 2]" 2
773 1 48 GLU HB2 1 55 GLY QA 2.993 2.628 6.000 3.918 3.283 4.756 . 0 0 "[ . 1 . 2]" 2
774 1 129 LEU HB3 1 129 LEU QD 3.300 2.300 4.300 2.235 2.225 2.268 0.075 11 0 "[ . 1 . 2]" 2
775 1 91 CYS HA 1 92 PRO HD3 2.300 . 2.800 2.137 1.926 2.396 . 0 0 "[ . 1 . 2]" 2
776 1 91 CYS H 1 91 CYS HA 2.900 2.400 3.400 2.864 2.799 2.950 . 0 0 "[ . 1 . 2]" 2
777 1 91 CYS HA 1 92 PRO HD2 2.300 . 2.800 2.453 2.125 2.728 . 0 0 "[ . 1 . 2]" 2
778 1 59 CYS HA 1 59 CYS HB2 2.750 2.250 3.250 2.996 2.509 3.034 . 0 0 "[ . 1 . 2]" 2
779 1 41 VAL HA 1 60 PHE HA 2.900 . 4.000 2.536 2.205 2.849 . 0 0 "[ . 1 . 2]" 2
780 1 41 VAL HA 1 41 VAL MG1 3.300 2.300 4.300 2.565 2.341 3.262 . 0 0 "[ . 1 . 2]" 2
781 1 100 LYS HD3 1 128 THR HA 4.700 3.950 5.450 4.768 4.036 5.283 . 0 0 "[ . 1 . 2]" 2
782 1 26 SER H 1 26 SER HA 3.285 2.862 3.708 2.856 2.806 2.901 0.056 9 0 "[ . 1 . 2]" 2
783 1 26 SER HA 1 26 SER HB2 2.800 2.300 3.300 2.607 2.471 3.026 . 0 0 "[ . 1 . 2]" 2
784 1 26 SER HA 1 26 SER HB3 2.800 2.300 3.300 2.851 2.394 3.039 . 0 0 "[ . 1 . 2]" 2
785 1 22 LEU HA 1 22 LEU HB3 2.883 2.360 3.406 2.495 2.463 2.526 . 0 0 "[ . 1 . 2]" 2
786 1 100 LYS HB3 1 100 LYS HE2 3.200 . 4.600 2.606 2.013 4.088 . 0 0 "[ . 1 . 2]" 2
787 1 136 PRO HB2 1 136 PRO HD3 3.500 2.750 4.250 3.915 3.853 3.966 . 0 0 "[ . 1 . 2]" 2
788 1 117 PRO HA 1 133 TRP HZ3 4.500 3.000 6.000 5.126 4.129 6.026 0.026 6 0 "[ . 1 . 2]" 2
789 1 123 ASP HB3 1 128 THR HB 3.500 2.500 4.500 2.575 2.441 2.878 0.059 20 0 "[ . 1 . 2]" 2
790 1 81 LEU HA 1 81 LEU QB 2.750 2.250 3.250 2.400 2.343 2.456 . 0 0 "[ . 1 . 2]" 2
791 1 104 SER HA 1 105 PHE QD 4.666 3.589 5.543 3.748 3.578 4.113 0.011 5 0 "[ . 1 . 2]" 2
792 1 74 LEU QD 1 83 LEU MD1 4.100 2.200 6.000 3.019 2.217 3.819 . 0 0 "[ . 1 . 2]" 2
793 1 83 LEU MD2 1 103 ILE MD 3.511 2.987 6.000 4.875 4.528 5.346 . 0 0 "[ . 1 . 2]" 2
794 1 74 LEU QD 1 83 LEU MD2 4.100 2.200 6.000 2.462 2.162 3.051 0.038 19 0 "[ . 1 . 2]" 2
795 1 83 LEU MD2 1 105 PHE QE 4.818 3.797 5.839 3.925 3.795 4.094 0.002 6 0 "[ . 1 . 2]" 2
796 1 83 LEU MD2 1 85 TYR QD 4.220 3.183 6.000 5.075 4.814 5.496 . 0 0 "[ . 1 . 2]" 2
797 1 83 LEU MD2 1 105 PHE HZ 3.869 3.220 6.000 5.103 4.907 5.380 . 0 0 "[ . 1 . 2]" 2
798 1 83 LEU MD2 1 85 TYR HH 4.200 2.400 6.000 4.523 3.094 5.466 . 0 0 "[ . 1 . 2]" 2
799 1 45 ILE HA 1 83 LEU MD2 4.500 2.900 6.100 5.522 5.129 6.066 . 0 0 "[ . 1 . 2]" 2
800 1 83 LEU MD2 1 83 LEU HG 2.524 . 4.000 2.133 2.121 2.142 . 0 0 "[ . 1 . 2]" 2
801 1 83 LEU HB2 1 83 LEU MD2 2.870 2.005 4.500 3.191 3.175 3.200 . 0 0 "[ . 1 . 2]" 2
802 1 136 PRO HB3 1 137 LEU H 4.200 3.700 4.700 4.392 4.283 4.449 . 0 0 "[ . 1 . 2]" 2
803 1 52 CYS HB3 1 53 PRO HD2 3.200 . 4.400 2.148 1.906 2.425 0.094 13 0 "[ . 1 . 2]" 2
804 1 52 CYS HB2 1 53 PRO HD2 3.200 . 5.100 3.703 3.399 3.985 . 0 0 "[ . 1 . 2]" 2
805 1 13 ASN QB 1 13 ASN QD 3.100 . 4.200 2.156 2.089 2.253 . 0 0 "[ . 1 . 2]" 2
806 1 52 CYS HB2 1 56 VAL MG2 4.200 2.400 6.000 4.283 3.513 4.955 . 0 0 "[ . 1 . 2]" 2
807 1 52 CYS HB3 1 56 VAL MG2 4.200 2.400 6.000 3.297 2.888 3.740 . 0 0 "[ . 1 . 2]" 2
808 1 81 LEU QB 1 105 PHE HB3 4.005 2.917 4.693 3.191 3.008 3.473 . 0 0 "[ . 1 . 2]" 2
809 1 81 LEU HG 1 105 PHE HB3 5.360 4.696 6.024 4.879 4.681 5.325 0.015 17 0 "[ . 1 . 2]" 2
810 1 81 LEU HG 1 105 PHE HB2 3.607 3.102 4.112 3.922 3.540 4.134 0.022 7 0 "[ . 1 . 2]" 2
811 1 105 PHE HB2 1 138 ALA MB 3.066 2.411 3.721 2.949 2.541 3.277 . 0 0 "[ . 1 . 2]" 2
812 1 51 ASN HB2 1 52 CYS HA 4.730 4.164 5.296 4.924 4.366 5.743 0.447 14 0 "[ . 1 . 2]" 2
813 1 106 VAL HA 1 138 ALA MB 3.800 3.200 4.400 3.635 3.237 4.037 . 0 0 "[ . 1 . 2]" 2
814 1 64 ARG HA 1 64 ARG HG3 3.800 2.300 5.300 2.988 2.550 3.161 . 0 0 "[ . 1 . 2]" 2
815 1 60 PHE HB3 1 60 PHE QD 3.100 2.100 4.100 2.358 2.283 2.500 . 0 0 "[ . 1 . 2]" 2
816 1 60 PHE HB2 1 60 PHE QD 3.100 2.100 4.100 2.444 2.308 2.644 . 0 0 "[ . 1 . 2]" 2
817 1 101 SER HA 1 129 LEU HB3 3.600 2.800 4.400 4.343 3.568 4.439 0.039 10 0 "[ . 1 . 2]" 2
818 1 129 LEU HA 1 129 LEU HB3 2.700 2.200 3.200 2.526 2.478 2.709 . 0 0 "[ . 1 . 2]" 2
819 1 129 LEU HB2 1 129 LEU QD 3.300 2.300 4.300 2.167 2.143 2.346 0.157 8 0 "[ . 1 . 2]" 2
820 1 119 LEU QD 1 129 LEU HB2 4.000 . 6.000 4.367 4.167 4.885 . 0 0 "[ . 1 . 2]" 2
821 1 83 LEU MD1 1 103 ILE H 5.087 4.419 5.755 5.334 4.978 5.730 . 0 0 "[ . 1 . 2]" 2
822 1 83 LEU MD1 1 85 TYR HH 4.300 2.600 6.000 3.252 2.569 3.929 0.031 1 0 "[ . 1 . 2]" 2
823 1 45 ILE HA 1 83 LEU MD1 4.600 3.100 6.100 3.443 3.090 3.888 0.010 19 0 "[ . 1 . 2]" 2
824 1 83 LEU HA 1 83 LEU MD1 3.807 3.287 4.327 3.877 3.849 3.906 . 0 0 "[ . 1 . 2]" 2
825 1 83 LEU MD1 1 103 ILE MD 4.500 3.000 6.000 3.219 2.956 3.745 0.044 10 0 "[ . 1 . 2]" 2
826 1 45 ILE MG 1 83 LEU MD1 4.100 2.200 6.000 2.626 2.179 3.340 0.021 13 0 "[ . 1 . 2]" 2
827 1 116 ARG HA 1 133 TRP HE1 4.700 3.300 6.100 5.026 3.846 6.129 0.029 14 0 "[ . 1 . 2]" 2
828 1 103 ILE MD 1 131 PHE QE 4.533 4.102 5.364 5.068 4.702 5.392 0.028 14 0 "[ . 1 . 2]" 2
829 1 111 ALA MB 1 136 PRO HD2 3.800 2.300 5.300 3.633 2.898 4.450 . 0 0 "[ . 1 . 2]" 2
830 1 134 HIS HA 1 135 THR MG 4.700 3.700 5.700 3.698 3.649 3.815 0.051 14 0 "[ . 1 . 2]" 2
831 1 106 VAL HB 1 134 HIS HA 3.800 3.000 4.600 3.175 2.973 4.624 0.027 11 0 "[ . 1 . 2]" 2
832 1 83 LEU H 1 103 ILE MG 4.183 3.552 4.814 4.020 3.818 4.229 . 0 0 "[ . 1 . 2]" 2
833 1 45 ILE HB 1 45 ILE MG 2.204 . 2.536 2.132 2.116 2.154 . 0 0 "[ . 1 . 2]" 2
834 1 41 VAL MG1 1 131 PHE QE 4.200 2.400 6.000 3.054 2.441 3.497 . 0 0 "[ . 1 . 2]" 2
835 1 41 VAL MG1 1 43 MET HA 4.800 3.600 6.000 4.198 3.525 5.596 0.075 2 0 "[ . 1 . 2]" 2
836 1 41 VAL MG1 1 42 TYR HA 4.800 3.600 6.000 4.115 3.813 4.442 . 0 0 "[ . 1 . 2]" 2
837 1 43 MET HA 1 58 ALA HA 2.400 . 2.900 2.316 2.172 2.578 . 0 0 "[ . 1 . 2]" 2
838 1 68 GLY H 1 89 SER H 4.500 3.000 6.000 4.300 3.969 4.723 . 0 0 "[ . 1 . 2]" 2
839 1 71 ASN HA 1 72 LYS H 2.381 2.061 2.701 2.238 2.109 2.429 . 0 0 "[ . 1 . 2]" 2
840 1 66 SER QB 1 89 SER H 4.200 2.600 5.800 3.685 3.361 4.009 . 0 0 "[ . 1 . 2]" 2
841 1 71 ASN HB3 1 72 LYS H 3.200 2.400 4.000 3.273 2.397 4.126 0.126 16 0 "[ . 1 . 2]" 2
842 1 72 LYS H 1 72 LYS QB 3.500 2.600 4.400 2.915 2.545 3.247 0.055 16 0 "[ . 1 . 2]" 2
843 1 72 LYS H 1 72 LYS QG 3.200 2.100 4.300 2.543 2.073 3.524 0.027 10 0 "[ . 1 . 2]" 2
844 1 88 GLY H 1 89 SER H 3.900 3.300 4.500 4.043 3.627 4.354 . 0 0 "[ . 1 . 2]" 2
845 1 88 GLY HA2 1 89 SER H 2.700 . 3.600 2.956 2.608 3.232 . 0 0 "[ . 1 . 2]" 2
846 1 89 SER H 1 89 SER HB2 2.900 2.300 3.500 2.490 2.255 3.532 0.045 13 0 "[ . 1 . 2]" 2
847 1 89 SER H 1 90 PRO HD2 5.000 4.500 5.500 5.008 4.715 5.395 . 0 0 "[ . 1 . 2]" 2
848 1 89 SER H 1 90 PRO HD3 5.000 4.500 5.500 4.815 4.495 5.151 0.005 3 0 "[ . 1 . 2]" 2
849 1 88 GLY HA3 1 89 SER H 2.700 . 3.600 2.232 2.088 2.443 . 0 0 "[ . 1 . 2]" 2
850 1 65 ILE MG 1 89 SER H 4.000 2.500 5.100 3.727 3.452 4.009 . 0 0 "[ . 1 . 2]" 2
851 1 10 GLN H 1 10 GLN HA 3.081 2.625 3.537 2.871 2.827 2.911 . 0 0 "[ . 1 . 2]" 2
852 1 9 CYS HA 1 10 GLN H 2.900 . 3.900 2.624 2.383 2.819 . 0 0 "[ . 1 . 2]" 2
853 1 9 CYS HB2 1 10 GLN H 4.442 3.719 5.165 4.400 4.067 4.687 . 0 0 "[ . 1 . 2]" 2
854 1 9 CYS HB3 1 10 GLN H 4.000 3.000 5.000 4.339 4.206 4.511 . 0 0 "[ . 1 . 2]" 2
855 1 10 GLN H 1 10 GLN HG2 4.115 2.617 4.613 2.786 2.398 4.465 0.219 6 0 "[ . 1 . 2]" 2
856 1 10 GLN H 1 10 GLN HB2 4.173 2.710 4.636 3.809 2.641 3.987 0.069 15 0 "[ . 1 . 2]" 2
857 1 10 GLN H 1 74 LEU HB2 4.300 3.500 5.100 3.917 3.209 4.684 0.291 20 0 "[ . 1 . 2]" 2
858 1 10 GLN H 1 11 VAL QG 4.900 3.800 6.000 3.788 3.399 4.601 0.401 17 0 "[ . 1 . 2]" 2
859 1 9 CYS H 1 10 GLN H 2.800 2.300 3.300 2.743 2.340 2.973 . 0 0 "[ . 1 . 2]" 2
860 1 10 GLN H 1 74 LEU H 4.600 3.200 6.000 4.602 3.804 5.658 . 0 0 "[ . 1 . 2]" 2
861 1 113 PRO HA 1 114 THR H 2.853 2.560 6.000 3.294 2.822 3.532 . 0 0 "[ . 1 . 2]" 2
862 1 114 THR H 1 114 THR HA 2.719 2.429 3.009 2.882 2.783 2.947 . 0 0 "[ . 1 . 2]" 2
863 1 113 PRO HD3 1 114 THR H 3.500 2.300 4.700 3.994 3.687 4.774 0.074 12 0 "[ . 1 . 2]" 2
864 1 113 PRO HB2 1 114 THR H 3.517 3.022 5.000 3.644 2.103 4.299 0.919 12 1 "[ . 1 + . 2]" 2
865 1 113 PRO HG2 1 114 THR H 3.400 . 4.900 3.618 2.368 4.658 . 0 0 "[ . 1 . 2]" 2
866 1 114 THR H 1 114 THR MG 3.300 2.200 4.400 3.160 2.372 3.880 . 0 0 "[ . 1 . 2]" 2
867 1 72 LYS HA 1 73 ARG H 2.782 2.422 3.142 2.989 2.674 3.172 0.030 16 0 "[ . 1 . 2]" 2
868 1 73 ARG H 1 73 ARG HA 2.977 2.575 3.379 2.886 2.832 2.927 . 0 0 "[ . 1 . 2]" 2
869 1 73 ARG H 1 73 ARG QD 4.800 3.900 5.700 4.366 3.869 4.848 0.031 8 0 "[ . 1 . 2]" 2
870 1 71 ASN HB3 1 73 ARG H 3.400 2.300 4.500 3.212 2.296 4.419 0.004 5 0 "[ . 1 . 2]" 2
871 1 73 ARG H 1 73 ARG HB2 3.000 2.300 3.700 2.615 2.378 2.917 . 0 0 "[ . 1 . 2]" 2
872 1 73 ARG H 1 73 ARG HB3 3.000 2.300 3.700 2.875 2.291 3.688 0.009 20 0 "[ . 1 . 2]" 2
873 1 72 LYS QB 1 73 ARG H 4.400 3.800 5.000 3.824 3.410 4.003 0.390 20 0 "[ . 1 . 2]" 2
874 1 73 ARG H 1 83 LEU MD2 3.800 3.000 5.300 3.506 2.959 3.904 0.041 8 0 "[ . 1 . 2]" 2
875 1 116 ARG H 1 117 PRO HA 4.067 3.489 6.000 4.752 4.546 5.084 . 0 0 "[ . 1 . 2]" 2
876 1 38 GLY HA2 1 39 TRP H 3.000 2.250 3.750 3.006 2.150 3.549 0.100 16 0 "[ . 1 . 2]" 2
877 1 39 TRP H 1 40 GLY HA3 3.901 3.549 6.000 5.363 4.933 6.017 0.017 13 0 "[ . 1 . 2]" 2
878 1 39 TRP H 1 39 TRP HB2 3.100 . 4.600 2.768 2.318 3.790 . 0 0 "[ . 1 . 2]" 2
879 1 115 ASN QB 1 116 ARG H 4.500 4.000 5.000 3.937 3.807 4.060 0.193 10 0 "[ . 1 . 2]" 2
880 1 115 ASN HA 1 116 ARG H 2.200 . 2.900 2.471 2.122 2.806 . 0 0 "[ . 1 . 2]" 2
881 1 114 THR MG 1 116 ARG H 4.400 2.800 6.000 4.718 3.629 5.707 . 0 0 "[ . 1 . 2]" 2
882 1 90 PRO HA 1 99 TYR H 4.300 3.300 5.300 3.945 3.705 4.239 . 0 0 "[ . 1 . 2]" 2
883 1 98 SER H 1 99 TYR H 4.100 3.100 5.100 4.112 3.619 4.372 . 0 0 "[ . 1 . 2]" 2
884 1 99 TYR H 1 99 TYR HA 3.150 2.687 3.613 2.819 2.783 2.855 . 0 0 "[ . 1 . 2]" 2
885 1 98 SER HA 1 99 TYR H 2.500 . 3.500 2.195 2.005 2.298 . 0 0 "[ . 1 . 2]" 2
886 1 88 GLY HA2 1 99 TYR H 4.900 4.000 5.800 5.223 4.578 5.695 . 0 0 "[ . 1 . 2]" 2
887 1 98 SER HB2 1 99 TYR H 3.500 . 5.000 3.850 2.632 4.293 . 0 0 "[ . 1 . 2]" 2
888 1 98 SER HB3 1 99 TYR H 3.500 . 5.000 3.555 2.758 4.343 . 0 0 "[ . 1 . 2]" 2
889 1 99 TYR H 1 99 TYR QB 3.000 2.100 3.750 2.360 2.226 2.491 . 0 0 "[ . 1 . 2]" 2
890 1 67 VAL QG 1 99 TYR H 5.400 4.800 6.000 4.778 4.681 4.938 0.119 1 0 "[ . 1 . 2]" 2
891 1 99 TYR H 1 127 CYS HB3 4.200 3.500 4.900 3.943 3.602 4.311 . 0 0 "[ . 1 . 2]" 2
892 1 8 ASP H 1 9 CYS H 2.800 . 3.800 2.848 2.263 3.652 . 0 0 "[ . 1 . 2]" 2
893 1 8 ASP HA 1 9 CYS H 3.100 2.100 4.100 3.073 2.471 3.599 . 0 0 "[ . 1 . 2]" 2
894 1 9 CYS H 1 9 CYS HB3 4.097 3.024 4.670 3.938 3.665 4.131 . 0 0 "[ . 1 . 2]" 2
895 1 17 GLY HA2 1 18 HIS H 3.200 2.700 3.700 3.051 2.874 3.300 . 0 0 "[ . 1 . 2]" 2
896 1 16 THR H 1 18 HIS H 4.000 3.400 4.600 3.583 3.378 4.012 0.022 3 0 "[ . 1 . 2]" 2
897 1 16 THR HB 1 18 HIS H 3.400 2.800 4.000 3.486 2.898 4.027 0.027 3 0 "[ . 1 . 2]" 2
898 1 17 GLY HA3 1 18 HIS H 3.200 2.700 3.700 3.380 3.233 3.497 . 0 0 "[ . 1 . 2]" 2
899 1 13 ASN QB 1 18 HIS H 4.000 2.800 5.200 3.324 2.737 4.231 0.063 11 0 "[ . 1 . 2]" 2
900 1 18 HIS H 1 18 HIS HB2 3.000 2.200 3.800 2.705 2.414 3.775 . 0 0 "[ . 1 . 2]" 2
901 1 18 HIS H 1 18 HIS HB3 3.000 2.200 3.800 3.058 2.392 3.773 . 0 0 "[ . 1 . 2]" 2
902 1 16 THR MG 1 18 HIS H 4.697 4.135 5.259 4.494 4.108 5.112 0.027 1 0 "[ . 1 . 2]" 2
903 1 12 THR MG 1 18 HIS H 3.686 3.126 4.246 4.192 3.784 4.299 0.053 4 0 "[ . 1 . 2]" 2
904 1 17 GLY H 1 18 HIS H 2.582 2.226 2.938 2.308 2.209 2.493 0.017 4 0 "[ . 1 . 2]" 2
905 1 121 SER HA 1 130 PHE H 4.514 3.474 5.554 5.027 4.917 5.468 . 0 0 "[ . 1 . 2]" 2
906 1 122 LEU QD 1 130 PHE H 4.585 4.009 5.461 4.166 3.915 4.394 0.094 16 0 "[ . 1 . 2]" 2
907 1 128 THR MG 1 130 PHE H 3.953 3.280 4.626 4.145 3.910 4.485 . 0 0 "[ . 1 . 2]" 2
908 1 130 PHE H 1 130 PHE HA 3.363 2.864 3.862 2.921 2.890 2.956 . 0 0 "[ . 1 . 2]" 2
909 1 122 LEU HA 1 130 PHE H 3.674 3.155 4.193 3.495 3.242 3.731 . 0 0 "[ . 1 . 2]" 2
910 1 129 LEU HA 1 130 PHE H 2.374 2.035 2.713 2.094 2.038 2.141 . 0 0 "[ . 1 . 2]" 2
911 1 130 PHE H 1 130 PHE HB2 2.711 2.323 3.099 2.453 2.376 2.531 . 0 0 "[ . 1 . 2]" 2
912 1 129 LEU HB2 1 130 PHE H 4.589 4.040 5.138 4.247 4.087 4.421 . 0 0 "[ . 1 . 2]" 2
913 1 129 LEU HB3 1 130 PHE H 3.495 3.006 3.984 3.311 3.008 3.540 . 0 0 "[ . 1 . 2]" 2
914 1 129 LEU HG 1 130 PHE H 4.500 3.800 5.200 4.443 4.107 5.312 0.112 9 0 "[ . 1 . 2]" 2
915 1 129 LEU QD 1 130 PHE H 4.730 4.205 5.255 4.176 3.089 4.395 1.116 4 2 "[ +. -1 . 2]" 2
916 1 129 LEU H 1 130 PHE H 4.329 3.794 4.864 4.336 4.240 4.423 . 0 0 "[ . 1 . 2]" 2
917 1 23 SER HA 1 25 LEU H 3.992 3.458 4.526 3.767 3.443 4.096 0.015 13 0 "[ . 1 . 2]" 2
918 1 25 LEU H 1 25 LEU HA 3.405 2.900 3.910 2.931 2.899 2.950 0.001 14 0 "[ . 1 . 2]" 2
919 1 24 SER HA 1 25 LEU H 3.400 2.900 3.900 3.415 3.286 3.522 . 0 0 "[ . 1 . 2]" 2
920 1 24 SER HB3 1 25 LEU H 3.700 3.100 4.300 3.978 2.744 4.352 0.356 4 0 "[ . 1 . 2]" 2
921 1 25 LEU H 1 25 LEU HB3 3.100 2.400 3.800 3.653 3.255 3.713 . 0 0 "[ . 1 . 2]" 2
922 1 25 LEU H 1 25 LEU HB2 3.100 2.400 3.800 2.571 2.385 3.803 0.015 11 0 "[ . 1 . 2]" 2
923 1 25 LEU H 1 25 LEU HG 2.600 . 3.200 2.779 2.248 3.088 . 0 0 "[ . 1 . 2]" 2
924 1 25 LEU H 1 25 LEU QD 4.200 3.200 5.200 3.337 3.061 3.503 0.139 14 0 "[ . 1 . 2]" 2
925 1 79 GLN H 1 80 VAL H 2.859 2.516 3.202 2.739 2.597 2.874 . 0 0 "[ . 1 . 2]" 2
926 1 80 VAL H 1 80 VAL HA 2.854 2.494 3.214 2.918 2.874 2.938 . 0 0 "[ . 1 . 2]" 2
927 1 78 ASP HA 1 80 VAL H 4.265 3.802 4.728 4.362 4.201 4.610 . 0 0 "[ . 1 . 2]" 2
928 1 79 GLN HA 1 80 VAL H 3.227 2.846 3.608 3.001 2.804 3.231 0.042 14 0 "[ . 1 . 2]" 2
929 1 79 GLN HB2 1 80 VAL H 4.287 3.788 4.786 4.155 3.757 4.578 0.031 13 0 "[ . 1 . 2]" 2
930 1 79 GLN HB3 1 80 VAL H 4.044 3.546 4.542 4.311 3.860 4.454 . 0 0 "[ . 1 . 2]" 2
931 1 80 VAL H 1 80 VAL HB 2.855 2.562 6.000 3.161 2.555 3.895 0.007 17 0 "[ . 1 . 2]" 2
932 1 77 VAL QG 1 80 VAL H 3.705 3.158 4.252 3.826 3.462 4.023 . 0 0 "[ . 1 . 2]" 2
933 1 78 ASP H 1 80 VAL H 4.100 3.600 4.600 4.134 3.919 4.436 . 0 0 "[ . 1 . 2]" 2
934 1 77 VAL H 1 80 VAL H 3.001 2.622 3.380 3.119 2.820 3.347 . 0 0 "[ . 1 . 2]" 2
935 1 54 PRO HA 1 55 GLY H 2.341 2.064 2.618 2.130 2.065 2.227 . 0 0 "[ . 1 . 2]" 2
936 1 54 PRO HB3 1 55 GLY H 4.000 3.500 4.500 4.004 3.742 4.231 . 0 0 "[ . 1 . 2]" 2
937 1 48 GLU QG 1 55 GLY H 4.000 2.500 5.500 3.039 2.461 3.598 0.039 8 0 "[ . 1 . 2]" 2
938 1 48 GLU H 1 55 GLY H 5.500 5.000 6.000 5.508 4.996 5.867 0.004 12 0 "[ . 1 . 2]" 2
939 1 48 GLU HB2 1 55 GLY H 2.800 . 4.100 2.514 1.989 3.370 . 0 0 "[ . 1 . 2]" 2
940 1 69 LYS H 1 69 LYS HD3 4.700 3.700 5.700 4.323 3.686 4.714 0.014 15 0 "[ . 1 . 2]" 2
941 1 122 LEU QD 1 124 LYS H 3.399 2.889 3.909 3.085 2.412 3.489 0.477 5 0 "[ . 1 . 2]" 2
942 1 124 LYS H 1 126 THR H 4.768 4.064 5.472 4.620 4.340 4.804 . 0 0 "[ . 1 . 2]" 2
943 1 123 ASP HA 1 124 LYS H 2.245 . 2.521 2.129 2.037 2.234 . 0 0 "[ . 1 . 2]" 2
944 1 68 GLY HA3 1 69 LYS H 3.326 2.524 3.728 3.034 2.849 3.201 . 0 0 "[ . 1 . 2]" 2
945 1 69 LYS H 1 87 ASP HB2 4.400 2.800 6.000 4.484 3.259 5.221 . 0 0 "[ . 1 . 2]" 2
946 1 123 ASP HB3 1 124 LYS H 4.113 3.640 4.586 4.319 4.233 4.379 . 0 0 "[ . 1 . 2]" 2
947 1 69 LYS H 1 69 LYS HB3 2.173 . 6.000 2.825 2.404 3.616 . 0 0 "[ . 1 . 2]" 2
948 1 69 LYS H 1 69 LYS HD2 4.700 3.950 5.450 4.643 4.501 4.806 . 0 0 "[ . 1 . 2]" 2
949 1 124 LYS H 1 124 LYS HD2 4.600 4.000 5.200 4.820 3.858 5.939 0.739 2 4 "[ +* . *1 . -2]" 2
950 1 122 LEU HG 1 124 LYS H 5.500 5.000 6.000 5.764 5.445 6.020 0.020 10 0 "[ . 1 . 2]" 2
951 1 69 LYS H 1 69 LYS HG3 4.300 3.800 4.800 4.250 3.781 4.481 0.019 19 0 "[ . 1 . 2]" 2
952 1 78 ASP H 1 79 GLN HA 5.000 4.500 5.500 4.917 4.731 5.229 . 0 0 "[ . 1 . 2]" 2
953 1 78 ASP H 1 78 ASP HB2 3.500 2.900 4.100 3.158 2.896 3.585 0.004 18 0 "[ . 1 . 2]" 2
954 1 22 LEU H 1 23 SER H 2.525 2.195 2.855 2.419 2.149 2.662 0.046 7 0 "[ . 1 . 2]" 2
955 1 23 SER H 1 25 LEU H 4.535 3.916 5.154 4.057 3.941 4.218 . 0 0 "[ . 1 . 2]" 2
956 1 21 ASP HA 1 23 SER H 3.600 3.100 4.100 3.727 3.093 4.145 0.045 14 0 "[ . 1 . 2]" 2
957 1 22 LEU HA 1 23 SER H 3.008 2.570 3.446 2.973 2.858 3.149 . 0 0 "[ . 1 . 2]" 2
958 1 23 SER H 1 23 SER HB3 3.100 2.500 3.700 3.125 2.541 3.570 . 0 0 "[ . 1 . 2]" 2
959 1 9 CYS HB2 1 23 SER H 4.400 3.200 5.600 5.045 3.374 6.229 0.629 16 1 "[ . 1 .+ 2]" 2
960 1 21 ASP QB 1 23 SER H 3.700 2.900 4.500 2.812 2.042 3.866 0.858 18 5 "[ *- . * 1* . + 2]" 2
961 1 22 LEU HB3 1 23 SER H 4.575 3.970 5.180 4.380 4.280 4.437 . 0 0 "[ . 1 . 2]" 2
962 1 22 LEU HB2 1 23 SER H 4.049 3.498 4.600 3.967 3.691 4.125 . 0 0 "[ . 1 . 2]" 2
963 1 23 SER H 1 137 LEU QD 4.850 4.237 5.352 4.545 4.147 4.880 0.090 9 0 "[ . 1 . 2]" 2
964 1 22 LEU MD2 1 23 SER H 4.450 3.873 5.027 4.584 4.475 4.683 . 0 0 "[ . 1 . 2]" 2
965 1 8 ASP H 1 8 ASP HB3 3.000 . 4.200 3.187 2.609 3.816 . 0 0 "[ . 1 . 2]" 2
966 1 8 ASP H 1 8 ASP HA 2.980 2.610 3.350 2.902 2.811 2.949 . 0 0 "[ . 1 . 2]" 2
967 1 2 LYS HA 1 3 SER H 2.600 . 3.600 2.656 2.101 3.549 . 0 0 "[ . 1 . 2]" 2
968 1 8 ASP H 1 72 LYS QB 4.500 3.500 6.000 4.193 2.281 5.844 1.219 2 5 "[-+ * 1* . *2]" 2
969 1 46 CYS H 1 72 LYS HA 4.900 4.000 5.800 4.980 4.323 5.605 . 0 0 "[ . 1 . 2]" 2
970 1 46 CYS H 1 46 CYS HA 2.615 2.249 2.981 2.239 2.227 2.259 0.022 9 0 "[ . 1 . 2]" 2
971 1 45 ILE HA 1 46 CYS H 2.373 2.013 2.733 2.086 2.008 2.168 0.005 7 0 "[ . 1 . 2]" 2
972 1 46 CYS H 1 46 CYS QB 3.600 3.000 4.200 3.139 2.959 3.408 0.041 15 0 "[ . 1 . 2]" 2
973 1 46 CYS H 1 83 LEU MD1 4.200 2.400 6.000 2.817 2.376 3.340 0.024 19 0 "[ . 1 . 2]" 2
974 1 46 CYS H 1 83 LEU MD2 4.200 2.400 6.000 4.368 3.816 4.881 . 0 0 "[ . 1 . 2]" 2
975 1 46 CYS H 1 85 TYR HH 2.500 . 3.200 2.130 1.961 2.322 . 0 0 "[ . 1 . 2]" 2
976 1 37 LYS HG2 1 38 GLY H 5.082 3.992 5.672 5.063 4.352 5.996 0.324 14 0 "[ . 1 . 2]" 2
977 1 37 LYS HA 1 38 GLY H 2.800 . 4.000 3.112 2.145 3.554 . 0 0 "[ . 1 . 2]" 2
978 1 37 LYS HB3 1 38 GLY H 4.000 2.500 5.500 3.807 2.401 4.408 0.099 16 0 "[ . 1 . 2]" 2
979 1 37 LYS HD3 1 38 GLY H 4.813 3.771 5.855 5.217 4.028 6.503 0.648 3 1 "[ + . 1 . 2]" 2
980 1 36 ALA MB 1 38 GLY H 4.600 3.200 6.000 4.221 3.169 5.262 0.031 12 0 "[ . 1 . 2]" 2
981 1 92 PRO HA 1 93 SER H 2.899 2.629 6.000 3.388 3.219 3.557 . 0 0 "[ . 1 . 2]" 2
982 1 93 SER H 1 93 SER HB3 3.100 2.350 3.850 3.174 2.495 3.661 . 0 0 "[ . 1 . 2]" 2
983 1 92 PRO HD2 1 93 SER H 3.400 . 4.800 2.692 2.211 3.103 . 0 0 "[ . 1 . 2]" 2
984 1 92 PRO HB3 1 93 SER H 4.500 3.200 5.800 4.299 4.011 4.526 . 0 0 "[ . 1 . 2]" 2
985 1 92 PRO HG2 1 93 SER H 4.300 3.200 5.400 3.715 3.171 4.487 0.029 7 0 "[ . 1 . 2]" 2
986 1 92 PRO HG3 1 93 SER H 4.300 3.200 5.400 4.520 4.363 4.729 . 0 0 "[ . 1 . 2]" 2
987 1 91 CYS H 1 93 SER H 4.600 3.200 6.000 5.156 4.336 5.834 . 0 0 "[ . 1 . 2]" 2
988 1 32 THR H 1 32 THR HA 3.066 2.646 3.486 2.918 2.889 2.935 . 0 0 "[ . 1 . 2]" 2
989 1 31 PHE HA 1 32 THR H 2.300 . 2.800 2.228 2.178 2.372 . 0 0 "[ . 1 . 2]" 2
990 1 72 LYS H 1 72 LYS HA 3.030 2.611 3.449 2.928 2.880 2.954 . 0 0 "[ . 1 . 2]" 2
991 1 32 THR H 1 32 THR HB 3.100 2.500 3.700 2.592 2.505 2.708 . 0 0 "[ . 1 . 2]" 2
992 1 31 PHE HB2 1 32 THR H 3.900 3.200 4.600 4.178 4.072 4.343 . 0 0 "[ . 1 . 2]" 2
993 1 31 PHE HB3 1 32 THR H 3.900 3.200 4.600 3.680 3.163 4.145 0.037 5 0 "[ . 1 . 2]" 2
994 1 32 THR H 1 32 THR MG 4.300 3.700 4.900 3.815 3.754 3.873 . 0 0 "[ . 1 . 2]" 2
995 1 31 PHE H 1 32 THR H 4.500 4.000 5.000 4.227 4.012 4.377 . 0 0 "[ . 1 . 2]" 2
996 1 7 ASP H 1 7 ASP HA 2.600 2.100 3.100 2.672 2.233 2.940 . 0 0 "[ . 1 . 2]" 2
997 1 6 HIS HA 1 7 ASP H 2.879 2.060 3.398 2.238 2.031 2.444 0.029 6 0 "[ . 1 . 2]" 2
998 1 7 ASP H 1 8 ASP HA 3.739 3.442 6.000 4.820 3.853 5.330 . 0 0 "[ . 1 . 2]" 2
999 1 6 HIS HB2 1 7 ASP H 4.000 3.000 5.000 4.333 3.242 4.640 . 0 0 "[ . 1 . 2]" 2
1000 1 6 HIS HB3 1 7 ASP H 4.000 3.000 5.000 4.148 3.508 4.625 . 0 0 "[ . 1 . 2]" 2
1001 1 7 ASP H 1 7 ASP HB3 3.200 2.200 4.200 3.344 2.501 4.102 . 0 0 "[ . 1 . 2]" 2
1002 1 71 ASN H 1 71 ASN HA 3.098 2.678 3.518 2.916 2.817 2.945 . 0 0 "[ . 1 . 2]" 2
1003 1 71 ASN H 1 71 ASN HB3 3.300 2.500 4.100 3.323 2.498 3.763 0.002 7 0 "[ . 1 . 2]" 2
1004 1 70 ALA MB 1 71 ASN H 2.948 2.677 6.000 3.328 2.709 3.621 . 0 0 "[ . 1 . 2]" 2
1005 1 70 ALA HA 1 71 ASN H 2.431 2.107 2.755 2.175 2.102 2.295 0.005 10 0 "[ . 1 . 2]" 2
1006 1 46 CYS H 1 71 ASN H 5.400 4.800 6.000 5.657 5.107 6.030 0.030 17 0 "[ . 1 . 2]" 2
1007 1 70 ALA H 1 71 ASN H 4.304 3.821 4.787 4.287 3.869 4.607 . 0 0 "[ . 1 . 2]" 2
1008 1 71 ASN H 1 72 LYS H 4.500 4.000 5.000 4.375 4.211 4.546 . 0 0 "[ . 1 . 2]" 2
1009 1 28 ARG H 1 49 ASN HA 5.792 5.074 6.510 5.953 5.442 6.365 . 0 0 "[ . 1 . 2]" 2
1010 1 27 GLY HA2 1 28 ARG H 2.800 2.200 3.400 2.226 2.172 2.332 0.028 14 0 "[ . 1 . 2]" 2
1011 1 28 ARG H 1 28 ARG HA 3.148 2.735 3.561 2.871 2.809 2.896 . 0 0 "[ . 1 . 2]" 2
1012 1 28 ARG H 1 29 ALA HA 5.624 4.934 6.314 5.092 4.972 5.265 . 0 0 "[ . 1 . 2]" 2
1013 1 27 GLY HA3 1 28 ARG H 2.800 2.200 3.400 3.002 2.808 3.273 . 0 0 "[ . 1 . 2]" 2
1014 1 28 ARG H 1 28 ARG HD2 4.655 4.084 5.226 4.637 4.131 5.098 . 0 0 "[ . 1 . 2]" 2
1015 1 28 ARG H 1 28 ARG HG2 2.900 . 3.900 3.101 2.006 3.853 . 0 0 "[ . 1 . 2]" 2
1016 1 28 ARG H 1 28 ARG HG3 2.900 . 3.900 2.826 2.233 3.802 . 0 0 "[ . 1 . 2]" 2
1017 1 28 ARG H 1 29 ALA MB 4.523 3.948 5.098 4.247 4.112 4.401 . 0 0 "[ . 1 . 2]" 2
1018 1 137 LEU QD 1 138 ALA H . 4.756 5.428 4.330 4.177 4.381 0.579 4 1 "[ +. 1 . 2]" 2
1019 1 138 ALA H 1 139 CYS HA 4.640 4.134 5.146 4.867 4.558 5.132 . 0 0 "[ . 1 . 2]" 2
1020 1 138 ALA H 1 138 ALA HA 3.108 2.653 3.563 2.911 2.872 2.942 . 0 0 "[ . 1 . 2]" 2
1021 1 107 CYS HA 1 138 ALA H 3.497 2.938 4.056 3.573 3.240 4.069 0.013 13 0 "[ . 1 . 2]" 2
1022 1 138 ALA H 1 138 ALA MB 2.097 . 2.403 2.299 2.253 2.362 . 0 0 "[ . 1 . 2]" 2
1023 1 22 LEU MD2 1 138 ALA H 5.000 4.000 6.000 4.636 4.002 5.337 . 0 0 "[ . 1 . 2]" 2
1024 1 137 LEU HA 1 138 ALA H 3.772 3.235 4.309 3.334 3.257 3.416 . 0 0 "[ . 1 . 2]" 2
1025 1 137 LEU H 1 138 ALA H 2.571 2.170 2.972 2.441 2.339 2.637 . 0 0 "[ . 1 . 2]" 2
1026 1 103 ILE HA 1 131 PHE H 3.100 2.600 3.600 2.959 2.756 3.097 . 0 0 "[ . 1 . 2]" 2
1027 1 130 PHE HA 1 131 PHE H 2.250 . 2.550 2.101 2.060 2.160 . 0 0 "[ . 1 . 2]" 2
1028 1 131 PHE H 1 131 PHE HB3 3.200 2.600 3.800 3.727 3.705 3.742 . 0 0 "[ . 1 . 2]" 2
1029 1 131 PHE H 1 131 PHE HB2 3.200 2.600 3.800 2.585 2.569 2.612 0.031 12 0 "[ . 1 . 2]" 2
1030 1 102 VAL HB 1 131 PHE H 4.209 3.625 4.793 3.789 3.620 4.079 0.005 19 0 "[ . 1 . 2]" 2
1031 1 102 VAL QG 1 131 PHE H 4.447 3.775 5.119 3.961 3.797 4.107 . 0 0 "[ . 1 . 2]" 2
1032 1 102 VAL MG2 1 131 PHE H 5.240 4.538 5.942 5.065 4.899 5.268 . 0 0 "[ . 1 . 2]" 2
1033 1 119 LEU QD 1 131 PHE H 4.430 3.757 5.103 4.923 4.306 5.019 . 0 0 "[ . 1 . 2]" 2
1034 1 131 PHE H 1 131 PHE HA 3.000 2.500 3.500 2.941 2.930 2.954 . 0 0 "[ . 1 . 2]" 2
1035 1 108 ARG H 1 136 PRO HA 2.900 . 3.900 2.863 2.419 3.544 . 0 0 "[ . 1 . 2]" 2
1036 1 107 CYS HA 1 108 ARG H 2.816 . 3.084 2.115 2.042 2.220 . 0 0 "[ . 1 . 2]" 2
1037 1 107 CYS HB2 1 108 ARG H 4.134 3.132 4.636 4.253 4.073 4.474 . 0 0 "[ . 1 . 2]" 2
1038 1 107 CYS HB3 1 108 ARG H 4.639 3.616 5.262 4.243 3.352 4.559 0.264 19 0 "[ . 1 . 2]" 2
1039 1 108 ARG H 1 138 ALA MB 4.129 3.615 4.643 3.959 3.604 4.667 0.024 19 0 "[ . 1 . 2]" 2
1040 1 108 ARG H 1 109 PRO HA 4.400 3.400 5.400 4.526 4.281 4.772 . 0 0 "[ . 1 . 2]" 2
1041 1 108 ARG H 1 109 PRO HD3 3.900 3.200 4.600 3.565 3.135 3.935 0.065 13 0 "[ . 1 . 2]" 2
1042 1 108 ARG H 1 135 THR H 3.477 2.982 3.972 3.283 2.957 3.645 0.025 20 0 "[ . 1 . 2]" 2
1043 1 60 PHE HB2 1 61 GLY H 4.341 3.278 4.904 4.363 4.077 4.485 . 0 0 "[ . 1 . 2]" 2
1044 1 60 PHE H 1 61 GLY H 4.511 3.912 5.110 4.302 4.159 4.425 . 0 0 "[ . 1 . 2]" 2
1045 1 41 VAL HA 1 61 GLY H 3.300 . 4.600 2.733 2.253 3.414 . 0 0 "[ . 1 . 2]" 2
1046 1 61 GLY H 1 61 GLY HA3 2.555 2.217 2.893 2.892 2.858 2.931 0.038 15 0 "[ . 1 . 2]" 2
1047 1 60 PHE HB3 1 61 GLY H 3.613 2.780 4.446 4.301 4.067 4.399 . 0 0 "[ . 1 . 2]" 2
1048 1 41 VAL MG2 1 61 GLY H 4.500 3.000 6.000 3.412 2.958 4.682 0.042 4 0 "[ . 1 . 2]" 2
1049 1 4 ASN H 1 5 GLU H 2.500 . 3.100 2.380 2.059 2.972 . 0 0 "[ . 1 . 2]" 2
1050 1 3 SER HA 1 4 ASN H 2.800 2.100 3.500 2.674 2.160 3.454 . 0 0 "[ . 1 . 2]" 2
1051 1 3 SER HB2 1 4 ASN H 4.300 3.600 5.000 4.276 3.556 4.619 0.044 7 0 "[ . 1 . 2]" 2
1052 1 4 ASN H 1 4 ASN QB 3.200 2.500 3.900 2.609 2.259 3.417 0.241 7 0 "[ . 1 . 2]" 2
1053 1 32 THR HB 1 33 ALA H 4.700 3.800 5.600 4.294 4.181 4.377 . 0 0 "[ . 1 . 2]" 2
1054 1 33 ALA H 1 41 VAL HB 4.200 3.100 5.300 3.547 3.056 5.033 0.044 8 0 "[ . 1 . 2]" 2
1055 1 32 THR HA 1 33 ALA H 2.304 . 2.609 2.137 2.045 2.200 . 0 0 "[ . 1 . 2]" 2
1056 1 33 ALA H 1 33 ALA MB 2.279 . 2.640 2.358 2.269 2.503 . 0 0 "[ . 1 . 2]" 2
1057 1 32 THR MG 1 33 ALA H 4.000 2.900 5.100 3.093 2.875 3.239 0.025 16 0 "[ . 1 . 2]" 2
1058 1 123 ASP H 1 124 LYS H 3.891 3.394 4.788 4.101 3.842 4.261 . 0 0 "[ . 1 . 2]" 2
1059 1 75 ARG H 1 76 TYR HA 4.800 4.300 5.300 4.833 4.649 4.992 . 0 0 "[ . 1 . 2]" 2
1060 1 74 LEU HA 1 75 ARG H 2.192 . 2.485 2.126 2.043 2.204 . 0 0 "[ . 1 . 2]" 2
1061 1 75 ARG H 1 75 ARG HB3 3.400 2.800 4.000 3.705 3.644 3.780 . 0 0 "[ . 1 . 2]" 2
1062 1 75 ARG H 1 75 ARG HG3 3.313 2.899 4.327 3.122 2.679 4.099 0.220 19 0 "[ . 1 . 2]" 2
1063 1 74 LEU HG 1 75 ARG H 3.900 3.000 4.800 4.019 3.104 4.853 0.053 19 0 "[ . 1 . 2]" 2
1064 1 74 LEU QD 1 75 ARG H 4.100 2.200 6.000 2.537 2.157 3.280 0.043 17 0 "[ . 1 . 2]" 2
1065 1 75 ARG H 1 82 GLN H 3.000 2.500 3.500 2.903 2.621 3.162 . 0 0 "[ . 1 . 2]" 2
1066 1 83 LEU H 1 103 ILE H 3.189 2.683 3.695 3.274 3.037 3.602 . 0 0 "[ . 1 . 2]" 2
1067 1 103 ILE H 1 103 ILE HB 2.663 2.237 3.089 2.604 2.542 2.663 . 0 0 "[ . 1 . 2]" 2
1068 1 103 ILE H 1 103 ILE HG13 2.692 2.250 3.134 2.495 2.413 2.550 . 0 0 "[ . 1 . 2]" 2
1069 1 103 ILE H 1 104 SER H 4.400 3.650 5.150 4.272 4.210 4.384 . 0 0 "[ . 1 . 2]" 2
1070 1 83 LEU HA 1 85 TYR H 5.452 4.892 6.012 5.695 5.474 5.982 . 0 0 "[ . 1 . 2]" 2
1071 1 102 VAL HA 1 103 ILE H 2.264 . 2.567 2.140 2.089 2.177 . 0 0 "[ . 1 . 2]" 2
1072 1 83 LEU HB2 1 103 ILE H 3.800 3.100 4.500 3.698 3.302 4.127 . 0 0 "[ . 1 . 2]" 2
1073 1 102 VAL MG1 1 103 ILE H 4.300 3.000 5.600 3.060 2.951 3.210 0.049 12 0 "[ . 1 . 2]" 2
1074 1 102 VAL MG2 1 103 ILE H 4.300 3.000 5.600 4.160 4.087 4.241 . 0 0 "[ . 1 . 2]" 2
1075 1 85 TYR H 1 85 TYR HB3 3.100 2.300 3.900 3.661 3.599 3.728 . 0 0 "[ . 1 . 2]" 2
1076 1 85 TYR H 1 100 LYS HB3 4.800 3.900 5.700 5.630 4.563 6.464 0.764 8 2 "[ . +-1 . 2]" 2
1077 1 84 VAL QG 1 85 TYR H 3.403 2.999 3.418 2.805 2.490 3.003 0.509 3 2 "[ + . 1 - . 2]" 2
1078 1 85 TYR H 1 102 VAL MG2 4.900 3.800 6.000 4.241 3.840 4.663 . 0 0 "[ . 1 . 2]" 2
1079 1 85 TYR H 1 85 TYR HA 3.000 2.500 3.500 2.909 2.890 2.946 . 0 0 "[ . 1 . 2]" 2
1080 1 84 VAL HA 1 85 TYR H 2.269 . 2.572 2.062 2.009 2.137 . 0 0 "[ . 1 . 2]" 2
1081 1 85 TYR H 1 101 SER HB2 3.900 2.800 5.000 4.043 2.825 5.173 0.173 14 0 "[ . 1 . 2]" 2
1082 1 85 TYR H 1 85 TYR HB2 3.100 2.300 3.900 2.506 2.379 2.597 . 0 0 "[ . 1 . 2]" 2
1083 1 84 VAL HB 1 85 TYR H 4.005 3.380 4.830 4.210 4.085 4.326 . 0 0 "[ . 1 . 2]" 2
1084 1 49 ASN H 1 49 ASN HA 3.000 2.500 3.500 2.902 2.823 2.942 . 0 0 "[ . 1 . 2]" 2
1085 1 49 ASN H 1 57 GLY HA2 3.900 . 5.900 2.644 2.132 3.192 . 0 0 "[ . 1 . 2]" 2
1086 1 48 GLU HA 1 49 ASN H 2.448 2.129 2.767 2.238 2.123 2.349 0.006 18 0 "[ . 1 . 2]" 2
1087 1 49 ASN H 1 57 GLY HA3 3.900 . 5.900 4.353 3.864 4.862 . 0 0 "[ . 1 . 2]" 2
1088 1 49 ASN H 1 70 ALA MB 4.500 3.000 6.000 4.027 3.685 4.659 . 0 0 "[ . 1 . 2]" 2
1089 1 48 GLU HB3 1 49 ASN H 3.300 2.100 4.500 3.571 2.807 4.110 . 0 0 "[ . 1 . 2]" 2
1090 1 48 GLU QG 1 49 ASN H 4.900 3.700 6.100 4.231 3.892 4.599 . 0 0 "[ . 1 . 2]" 2
1091 1 109 PRO HD2 1 110 GLU H 3.200 2.100 4.300 2.688 2.302 3.042 . 0 0 "[ . 1 . 2]" 2
1092 1 49 ASN H 1 49 ASN HB2 3.200 2.200 4.200 2.861 2.391 3.776 . 0 0 "[ . 1 . 2]" 2
1093 1 48 GLU HB2 1 49 ASN H 3.300 2.100 4.500 3.005 2.651 3.865 . 0 0 "[ . 1 . 2]" 2
1094 1 110 GLU H 1 110 GLU HA 2.823 2.517 3.129 2.889 2.795 2.945 . 0 0 "[ . 1 . 2]" 2
1095 1 109 PRO HB3 1 110 GLU H 2.707 2.374 6.000 4.196 4.001 4.530 . 0 0 "[ . 1 . 2]" 2
1096 1 110 GLU H 1 110 GLU QB 4.048 3.526 4.570 2.569 2.381 2.876 1.145 1 20 [+***********-*******] 2
1097 1 110 GLU H 1 111 ALA MB 4.800 3.600 6.000 4.464 3.972 4.872 . 0 0 "[ . 1 . 2]" 2
1098 1 49 ASN H 1 50 GLU H 4.752 4.168 5.336 4.433 4.255 4.552 . 0 0 "[ . 1 . 2]" 2
1099 1 76 TYR H 1 77 VAL H 4.390 3.875 4.905 4.104 3.979 4.270 . 0 0 "[ . 1 . 2]" 2
1100 1 75 ARG HA 1 76 TYR H 2.313 2.019 2.607 2.180 2.084 2.255 . 0 0 "[ . 1 . 2]" 2
1101 1 76 TYR H 1 76 TYR HA 2.992 2.616 3.368 2.922 2.905 2.937 . 0 0 "[ . 1 . 2]" 2
1102 1 76 TYR H 1 76 TYR QB 2.900 . 3.900 2.458 2.219 2.992 . 0 0 "[ . 1 . 2]" 2
1103 1 75 ARG HB3 1 76 TYR H 3.386 3.047 4.425 3.223 3.019 3.644 0.028 11 0 "[ . 1 . 2]" 2
1104 1 75 ARG HG3 1 76 TYR H 4.900 4.400 5.400 5.156 4.920 5.425 0.025 13 0 "[ . 1 . 2]" 2
1105 1 11 VAL QG 1 76 TYR H 3.900 2.500 5.300 3.104 2.689 3.767 . 0 0 "[ . 1 . 2]" 2
1106 1 76 TYR H 1 77 VAL QG 3.725 3.286 6.000 3.532 3.142 4.761 0.144 15 0 "[ . 1 . 2]" 2
1107 1 67 VAL H 1 68 GLY H 2.500 . 3.100 2.387 2.146 2.576 . 0 0 "[ . 1 . 2]" 2
1108 1 66 SER HA 1 67 VAL H 2.200 . 2.700 2.110 2.058 2.137 . 0 0 "[ . 1 . 2]" 2
1109 1 59 CYS HB3 1 67 VAL H 5.200 4.100 6.300 4.869 4.093 5.190 0.007 2 0 "[ . 1 . 2]" 2
1110 1 59 CYS HB2 1 67 VAL H 5.700 4.500 6.900 5.416 4.597 5.640 . 0 0 "[ . 1 . 2]" 2
1111 1 56 VAL MG1 1 67 VAL H 4.300 2.600 6.000 3.308 3.012 3.576 . 0 0 "[ . 1 . 2]" 2
1112 1 56 VAL MG2 1 67 VAL H 4.300 2.600 6.000 5.249 4.747 5.595 . 0 0 "[ . 1 . 2]" 2
1113 1 59 CYS HA 1 67 VAL H 2.500 . 3.000 2.555 2.276 2.739 . 0 0 "[ . 1 . 2]" 2
1114 1 67 VAL H 1 67 VAL HA 2.900 2.400 3.400 2.915 2.894 2.932 . 0 0 "[ . 1 . 2]" 2
1115 1 14 PRO HB3 1 16 THR H 5.774 5.122 6.426 6.246 5.757 6.858 0.432 6 0 "[ . 1 . 2]" 2
1116 1 16 THR H 1 16 THR HB 3.766 3.270 4.262 3.590 3.481 3.730 . 0 0 "[ . 1 . 2]" 2
1117 1 16 THR H 1 17 GLY HA2 4.700 4.100 5.300 4.414 4.233 4.711 . 0 0 "[ . 1 . 2]" 2
1118 1 15 SER QB 1 16 THR H 3.100 2.200 4.000 2.603 2.194 3.317 0.006 6 0 "[ . 1 . 2]" 2
1119 1 16 THR H 1 17 GLY HA3 4.700 4.100 5.300 4.828 4.661 5.069 . 0 0 "[ . 1 . 2]" 2
1120 1 16 THR H 1 16 THR MG 3.200 2.400 4.000 2.834 2.432 3.069 . 0 0 "[ . 1 . 2]" 2
1121 1 83 LEU H 1 83 LEU HA 2.863 2.458 3.268 2.937 2.924 2.951 . 0 0 "[ . 1 . 2]" 2
1122 1 82 GLN HA 1 83 LEU H 2.176 . 2.476 2.105 2.031 2.164 . 0 0 "[ . 1 . 2]" 2
1123 1 82 GLN HG3 1 83 LEU H 3.890 3.040 4.740 3.249 2.940 3.659 0.100 1 0 "[ . 1 . 2]" 2
1124 1 82 GLN HG2 1 83 LEU H 3.553 2.710 4.396 3.135 2.747 3.457 . 0 0 "[ . 1 . 2]" 2
1125 1 82 GLN HB2 1 83 LEU H 4.591 3.585 5.197 4.207 4.099 4.316 . 0 0 "[ . 1 . 2]" 2
1126 1 83 LEU H 1 83 LEU HG 3.400 2.900 3.900 3.333 3.223 3.523 . 0 0 "[ . 1 . 2]" 2
1127 1 83 LEU H 1 83 LEU HB2 2.469 2.073 2.865 2.515 2.438 2.604 . 0 0 "[ . 1 . 2]" 2
1128 1 83 LEU H 1 83 LEU MD1 4.205 3.595 4.815 4.146 4.000 4.264 . 0 0 "[ . 1 . 2]" 2
1129 1 83 LEU H 1 103 ILE MD 5.300 4.600 6.000 4.816 4.589 5.142 0.011 13 0 "[ . 1 . 2]" 2
1130 1 82 GLN H 1 83 LEU H 3.623 3.222 6.000 4.300 4.182 4.363 . 0 0 "[ . 1 . 2]" 2
1131 1 98 SER H 1 98 SER HA 2.800 2.200 3.400 2.846 2.198 2.937 0.002 11 0 "[ . 1 . 2]" 2
1132 1 97 LEU HA 1 98 SER H 2.800 . 4.100 2.260 2.125 2.492 . 0 0 "[ . 1 . 2]" 2
1133 1 97 LEU HB3 1 98 SER H 3.200 2.200 4.200 3.147 2.254 4.355 0.155 10 0 "[ . 1 . 2]" 2
1134 1 97 LEU MD2 1 98 SER H 4.700 2.800 6.000 4.115 3.097 5.630 . 0 0 "[ . 1 . 2]" 2
1135 1 100 LYS H 1 128 THR HA 2.700 2.200 3.200 2.871 2.417 3.075 . 0 0 "[ . 1 . 2]" 2
1136 1 100 LYS H 1 129 LEU QD 3.823 3.262 4.884 3.617 3.288 4.215 . 0 0 "[ . 1 . 2]" 2
1137 1 99 TYR HA 1 100 LYS H 2.868 2.003 3.133 2.111 2.039 2.216 . 0 0 "[ . 1 . 2]" 2
1138 1 99 TYR QB 1 100 LYS H 3.800 3.000 4.600 3.151 2.897 3.451 0.103 9 0 "[ . 1 . 2]" 2
1139 1 100 LYS H 1 127 CYS HB3 3.976 3.509 4.443 3.520 3.253 3.869 0.256 5 0 "[ . 1 . 2]" 2
1140 1 100 LYS H 1 100 LYS HB3 3.884 3.453 4.315 3.420 3.114 3.799 0.339 12 0 "[ . 1 . 2]" 2
1141 1 100 LYS H 1 100 LYS HD3 4.674 4.230 5.118 4.802 4.206 5.145 0.027 6 0 "[ . 1 . 2]" 2
1142 1 100 LYS H 1 128 THR MG 4.900 3.800 6.000 4.267 3.821 4.585 . 0 0 "[ . 1 . 2]" 2
1143 1 67 VAL QG 1 100 LYS H 4.500 3.100 6.000 3.221 3.053 4.370 0.047 18 0 "[ . 1 . 2]" 2
1144 1 100 LYS H 1 129 LEU H 4.012 3.518 4.506 3.864 3.510 4.034 0.008 11 0 "[ . 1 . 2]" 2
1145 1 99 TYR H 1 100 LYS H 4.300 3.800 4.800 4.519 4.434 4.620 . 0 0 "[ . 1 . 2]" 2
1146 1 135 THR H 1 138 ALA MB 3.485 2.843 4.127 3.686 3.375 4.008 . 0 0 "[ . 1 . 2]" 2
1147 1 135 THR H 1 138 ALA H 4.600 4.100 5.100 4.549 4.295 4.812 . 0 0 "[ . 1 . 2]" 2
1148 1 134 HIS HA 1 135 THR H 2.233 . 2.518 2.151 2.062 2.230 . 0 0 "[ . 1 . 2]" 2
1149 1 105 PHE HA 1 135 THR H 3.836 3.376 4.496 4.392 4.143 4.510 0.014 8 0 "[ . 1 . 2]" 2
1150 1 107 CYS HA 1 135 THR H 3.400 2.400 4.400 3.696 3.053 4.136 . 0 0 "[ . 1 . 2]" 2
1151 1 134 HIS HB2 1 135 THR H 4.000 3.500 4.500 4.393 4.301 4.446 . 0 0 "[ . 1 . 2]" 2
1152 1 134 HIS HB3 1 135 THR H 4.000 3.500 4.500 3.680 3.524 3.835 . 0 0 "[ . 1 . 2]" 2
1153 1 106 VAL HB 1 135 THR H 4.808 4.204 5.412 4.460 4.194 5.340 0.010 8 0 "[ . 1 . 2]" 2
1154 1 5 GLU HA 1 6 HIS H 2.800 . 3.600 2.436 2.109 3.529 . 0 0 "[ . 1 . 2]" 2
1155 1 6 HIS H 1 6 HIS HB2 3.500 2.300 4.100 2.859 2.425 4.102 0.002 17 0 "[ . 1 . 2]" 2
1156 1 6 HIS H 1 6 HIS HB3 3.500 2.300 4.100 3.209 2.409 3.926 . 0 0 "[ . 1 . 2]" 2
1157 1 5 GLU HG2 1 6 HIS H 4.500 3.000 6.000 4.773 3.239 5.882 . 0 0 "[ . 1 . 2]" 2
1158 1 5 GLU HB2 1 6 HIS H 3.800 2.600 5.000 4.004 2.510 4.608 0.090 3 0 "[ . 1 . 2]" 2
1159 1 5 GLU HB3 1 6 HIS H 3.800 2.600 5.000 3.731 2.600 4.548 0.000 11 0 "[ . 1 . 2]" 2
1160 1 101 SER H 1 101 SER HA 3.397 2.842 3.952 2.932 2.910 2.958 . 0 0 "[ . 1 . 2]" 2
1161 1 132 SER H 1 132 SER HA 3.000 2.500 3.500 2.914 2.891 2.931 . 0 0 "[ . 1 . 2]" 2
1162 1 100 LYS HA 1 101 SER H 2.402 2.108 2.696 2.220 2.103 2.426 0.005 13 0 "[ . 1 . 2]" 2
1163 1 86 LYS HA 1 101 SER H 4.200 3.000 5.400 3.762 3.048 4.430 . 0 0 "[ . 1 . 2]" 2
1164 1 132 SER H 1 133 TRP HA 3.862 3.428 6.000 4.847 4.673 5.065 . 0 0 "[ . 1 . 2]" 2
1165 1 132 SER H 1 132 SER HB2 3.100 2.500 3.700 3.022 2.494 3.713 0.013 10 0 "[ . 1 . 2]" 2
1166 1 101 SER H 1 101 SER HB3 3.200 2.450 3.950 3.289 2.556 3.790 . 0 0 "[ . 1 . 2]" 2
1167 1 85 TYR HB2 1 101 SER H 4.500 3.000 6.000 2.953 2.681 3.402 0.319 10 0 "[ . 1 . 2]" 2
1168 1 132 SER H 1 133 TRP HB2 4.613 3.955 5.271 5.226 5.044 5.312 0.041 20 0 "[ . 1 . 2]" 2
1169 1 100 LYS HE3 1 101 SER H 5.500 5.000 6.000 6.127 4.963 6.883 0.883 13 8 "[ - **** * + . * 2]" 2
1170 1 131 PHE HB2 1 132 SER H 3.600 3.000 4.200 4.031 3.910 4.171 . 0 0 "[ . 1 . 2]" 2
1171 1 100 LYS HB3 1 101 SER H 3.200 2.450 3.950 3.606 2.494 4.009 0.059 7 0 "[ . 1 . 2]" 2
1172 1 120 ILE HG13 1 132 SER H 3.800 3.339 4.361 4.028 3.665 4.374 0.013 2 0 "[ . 1 . 2]" 2
1173 1 100 LYS HG2 1 101 SER H 4.500 3.900 5.100 4.719 3.994 5.187 0.087 13 0 "[ . 1 . 2]" 2
1174 1 84 VAL QG 1 101 SER H 5.000 4.000 6.000 3.737 3.246 4.144 0.754 9 2 "[ - . +1 . 2]" 2
1175 1 118 MET H 1 132 SER H 3.153 2.484 3.622 2.727 2.479 3.032 0.005 16 0 "[ . 1 . 2]" 2
1176 1 119 LEU HA 1 132 SER H 4.440 3.896 4.984 3.892 3.828 4.109 0.068 5 0 "[ . 1 . 2]" 2
1177 1 131 PHE HB3 1 132 SER H 3.600 3.000 4.200 3.036 2.954 3.241 0.046 12 0 "[ . 1 . 2]" 2
1178 1 120 ILE MD 1 132 SER H 4.350 3.788 4.912 3.960 3.777 4.191 0.011 14 0 "[ . 1 . 2]" 2
1179 1 63 THR HA 1 65 ILE H 5.190 4.589 5.791 5.063 4.714 5.444 . 0 0 "[ . 1 . 2]" 2
1180 1 65 ILE H 1 65 ILE HA 3.014 2.605 3.423 2.844 2.799 2.877 . 0 0 "[ . 1 . 2]" 2
1181 1 64 ARG HG3 1 65 ILE H 4.227 3.861 6.000 4.975 4.707 5.119 . 0 0 "[ . 1 . 2]" 2
1182 1 65 ILE H 1 65 ILE HG13 3.600 . 5.300 2.189 1.922 2.308 . 0 0 "[ . 1 . 2]" 2
1183 1 65 ILE H 1 65 ILE MD 3.819 3.402 4.236 3.596 3.424 3.701 . 0 0 "[ . 1 . 2]" 2
1184 1 44 SER QB 1 45 ILE H 3.400 2.700 4.100 3.423 2.665 3.920 0.035 15 0 "[ . 1 . 2]" 2
1185 1 45 ILE H 1 45 ILE HG13 3.300 2.300 4.300 3.774 2.341 4.278 . 0 0 "[ . 1 . 2]" 2
1186 1 44 SER H 1 45 ILE H 4.987 4.289 5.685 4.435 4.267 4.515 0.022 20 0 "[ . 1 . 2]" 2
1187 1 44 SER HA 1 45 ILE H 2.450 . 2.950 2.250 2.096 2.386 . 0 0 "[ . 1 . 2]" 2
1188 1 45 ILE H 1 45 ILE HB 2.919 2.404 3.434 2.571 2.426 2.707 . 0 0 "[ . 1 . 2]" 2
1189 1 45 ILE H 1 45 ILE HG12 3.300 2.300 4.300 3.297 2.298 4.341 0.041 10 0 "[ . 1 . 2]" 2
1190 1 45 ILE H 1 45 ILE MG 3.754 3.240 4.268 3.813 3.707 3.880 . 0 0 "[ . 1 . 2]" 2
1191 1 106 VAL H 1 107 CYS H 4.704 4.082 5.326 4.469 4.408 4.514 . 0 0 "[ . 1 . 2]" 2
1192 1 107 CYS H 1 108 ARG H 4.300 3.800 4.800 4.354 4.068 4.481 . 0 0 "[ . 1 . 2]" 2
1193 1 106 VAL HA 1 107 CYS H 1.900 . 2.600 2.163 2.057 2.258 . 0 0 "[ . 1 . 2]" 2
1194 1 107 CYS H 1 107 CYS HB2 2.800 . 3.600 2.638 2.536 2.825 . 0 0 "[ . 1 . 2]" 2
1195 1 107 CYS H 1 107 CYS HB3 2.800 . 3.600 2.503 2.281 3.539 . 0 0 "[ . 1 . 2]" 2
1196 1 106 VAL HB 1 107 CYS H 3.500 2.400 4.600 3.933 2.858 4.126 . 0 0 "[ . 1 . 2]" 2
1197 1 107 CYS H 1 138 ALA MB 4.000 2.500 5.500 3.252 2.782 3.910 . 0 0 "[ . 1 . 2]" 2
1198 1 106 VAL QG 1 107 CYS H 3.600 2.600 4.600 2.509 2.344 3.345 0.256 7 0 "[ . 1 . 2]" 2
1199 1 73 ARG HA 1 74 LEU H 2.832 2.024 3.140 2.152 2.063 2.238 . 0 0 "[ . 1 . 2]" 2
1200 1 74 LEU H 1 74 LEU HA 2.992 2.547 3.437 2.877 2.839 2.932 . 0 0 "[ . 1 . 2]" 2
1201 1 73 ARG HB2 1 74 LEU H 4.300 3.800 4.800 4.441 4.247 4.548 . 0 0 "[ . 1 . 2]" 2
1202 1 73 ARG HB3 1 74 LEU H 4.200 3.600 4.800 4.228 3.799 4.536 . 0 0 "[ . 1 . 2]" 2
1203 1 73 ARG HG3 1 74 LEU H 4.474 3.634 5.114 4.405 3.436 5.843 0.729 8 1 "[ . + 1 . 2]" 2
1204 1 74 LEU H 1 74 LEU QD 4.400 3.600 5.200 3.653 3.271 3.835 0.329 19 0 "[ . 1 . 2]" 2
1205 1 74 LEU H 1 74 LEU HG 2.900 2.300 4.600 3.918 2.672 4.530 . 0 0 "[ . 1 . 2]" 2
1206 1 74 LEU H 1 75 ARG H 4.859 4.285 5.433 4.440 4.353 4.508 . 0 0 "[ . 1 . 2]" 2
1207 1 64 ARG H 1 64 ARG HB3 4.543 3.959 5.127 4.051 3.984 4.121 . 0 0 "[ . 1 . 2]" 2
1208 1 62 GLN HB2 1 64 ARG H 4.710 4.199 5.721 5.042 4.752 5.425 . 0 0 "[ . 1 . 2]" 2
1209 1 64 ARG H 1 65 ILE H 2.600 2.100 3.100 2.722 2.561 2.867 . 0 0 "[ . 1 . 2]" 2
1210 1 63 THR HA 1 64 ARG H 2.900 2.300 3.500 3.330 3.232 3.436 . 0 0 "[ . 1 . 2]" 2
1211 1 64 ARG H 1 64 ARG HA 2.415 2.113 2.717 2.213 2.166 2.272 . 0 0 "[ . 1 . 2]" 2
1212 1 64 ARG H 1 64 ARG QD 4.032 2.989 5.100 4.571 2.902 4.855 0.087 16 0 "[ . 1 . 2]" 2
1213 1 64 ARG H 1 64 ARG HG2 4.200 3.200 5.200 3.614 3.317 4.714 . 0 0 "[ . 1 . 2]" 2
1214 1 64 ARG H 1 64 ARG HG3 3.042 2.216 3.868 2.909 2.658 3.433 . 0 0 "[ . 1 . 2]" 2
1215 1 63 THR MG 1 64 ARG H 4.150 3.666 4.634 4.139 4.005 4.414 . 0 0 "[ . 1 . 2]" 2
1216 1 62 GLN H 1 64 ARG H 4.525 3.502 5.548 3.968 3.716 4.281 . 0 0 "[ . 1 . 2]" 2
1217 1 81 LEU H 1 81 LEU HA 3.015 2.549 3.481 2.912 2.881 2.945 . 0 0 "[ . 1 . 2]" 2
1218 1 80 VAL HA 1 81 LEU H 2.281 . 2.573 2.205 2.053 2.429 . 0 0 "[ . 1 . 2]" 2
1219 1 81 LEU H 1 81 LEU HG 3.500 2.500 4.500 2.854 2.484 4.479 0.016 11 0 "[ . 1 . 2]" 2
1220 1 103 ILE HG12 1 104 SER H 4.346 3.844 4.848 4.582 4.467 4.665 . 0 0 "[ . 1 . 2]" 2
1221 1 80 VAL QG 1 81 LEU H 2.781 2.458 6.000 2.688 2.310 3.225 0.148 20 0 "[ . 1 . 2]" 2
1222 1 104 SER H 1 131 PHE HB2 4.400 3.800 5.000 3.967 3.813 4.176 . 0 0 "[ . 1 . 2]" 2
1223 1 104 SER H 1 132 SER HA 2.700 2.200 3.200 2.582 2.329 2.940 . 0 0 "[ . 1 . 2]" 2
1224 1 104 SER H 1 104 SER HA 3.492 2.965 4.019 2.933 2.879 2.945 0.086 8 0 "[ . 1 . 2]" 2
1225 1 103 ILE HA 1 104 SER H 2.484 2.144 2.824 2.121 2.096 2.144 0.048 9 0 "[ . 1 . 2]" 2
1226 1 104 SER H 1 104 SER QB 3.200 2.500 3.900 2.413 2.249 3.048 0.251 9 0 "[ . 1 . 2]" 2
1227 1 104 SER H 1 131 PHE HB3 4.500 4.000 5.000 4.768 4.519 4.941 . 0 0 "[ . 1 . 2]" 2
1228 1 103 ILE HB 1 104 SER H 4.875 4.042 5.708 4.211 4.060 4.319 . 0 0 "[ . 1 . 2]" 2
1229 1 103 ILE MD 1 104 SER H 4.178 3.779 6.000 5.266 5.146 5.366 . 0 0 "[ . 1 . 2]" 2
1230 1 104 SER H 1 131 PHE H 4.000 3.500 4.500 3.821 3.680 3.983 . 0 0 "[ . 1 . 2]" 2
1231 1 12 THR HA 1 19 LEU H 5.051 4.394 5.708 4.706 4.550 4.959 . 0 0 "[ . 1 . 2]" 2
1232 1 19 LEU H 1 19 LEU HA 3.146 2.721 3.571 2.912 2.882 2.954 . 0 0 "[ . 1 . 2]" 2
1233 1 18 HIS HA 1 19 LEU H 2.198 . 2.441 2.157 2.083 2.259 . 0 0 "[ . 1 . 2]" 2
1234 1 18 HIS HB2 1 19 LEU H 4.040 3.150 4.530 4.052 2.656 4.357 0.494 10 0 "[ . 1 . 2]" 2
1235 1 18 HIS HB3 1 19 LEU H 3.524 2.677 4.371 3.552 2.657 4.271 0.020 2 0 "[ . 1 . 2]" 2
1236 1 19 LEU H 1 19 LEU HB2 2.854 2.542 3.166 2.746 2.389 2.974 0.153 5 0 "[ . 1 . 2]" 2
1237 1 19 LEU H 1 19 LEU HG 3.470 3.161 6.000 4.393 4.251 4.633 . 0 0 "[ . 1 . 2]" 2
1238 1 12 THR MG 1 19 LEU H 5.100 4.200 6.000 4.279 4.156 4.660 0.044 5 0 "[ . 1 . 2]" 2
1239 1 19 LEU H 1 20 PHE H 4.500 4.000 5.000 4.295 4.174 4.432 . 0 0 "[ . 1 . 2]" 2
1240 1 13 ASN H 1 19 LEU H 5.400 4.800 6.000 5.041 4.833 5.451 . 0 0 "[ . 1 . 2]" 2
1241 1 77 VAL H 1 78 ASP H 4.501 3.974 5.028 4.172 4.011 4.282 . 0 0 "[ . 1 . 2]" 2
1242 1 78 ASP H 1 79 GLN H 2.929 2.559 3.299 2.727 2.545 3.067 0.014 5 0 "[ . 1 . 2]" 2
1243 1 77 VAL HA 1 78 ASP H 2.878 . 7.000 2.102 2.025 2.205 . 0 0 "[ . 1 . 2]" 2
1244 1 78 ASP H 1 78 ASP HB3 3.741 3.364 4.118 3.697 3.524 4.107 . 0 0 "[ . 1 . 2]" 2
1245 1 112 GLY H 1 113 PRO HD2 4.700 4.000 5.400 4.290 3.452 4.941 0.548 8 1 "[ . + 1 . 2]" 2
1246 1 111 ALA HA 1 112 GLY H 2.844 2.037 3.651 2.511 2.056 3.510 . 0 0 "[ . 1 . 2]" 2
1247 1 112 GLY H 1 112 GLY HA2 2.800 2.300 3.300 2.734 2.281 2.940 0.019 20 0 "[ . 1 . 2]" 2
1248 1 112 GLY H 1 113 PRO HD3 4.700 3.500 5.900 4.679 4.137 5.193 . 0 0 "[ . 1 . 2]" 2
1249 1 112 GLY H 1 115 ASN QB 3.700 2.600 4.800 3.847 2.312 4.698 0.288 9 0 "[ . 1 . 2]" 2
1250 1 111 ALA MB 1 112 GLY H 3.000 . 4.200 2.360 1.873 3.572 . 0 0 "[ . 1 . 2]" 2
1251 1 84 VAL H 1 84 VAL HA 3.197 2.703 3.691 2.908 2.868 2.933 . 0 0 "[ . 1 . 2]" 2
1252 1 83 LEU HA 1 84 VAL H 2.281 . 2.573 2.144 2.105 2.300 . 0 0 "[ . 1 . 2]" 2
1253 1 84 VAL H 1 84 VAL HB 2.820 2.442 3.398 3.034 2.598 3.335 . 0 0 "[ . 1 . 2]" 2
1254 1 83 LEU HG 1 84 VAL H 4.821 4.270 5.372 5.016 4.825 5.132 . 0 0 "[ . 1 . 2]" 2
1255 1 83 LEU HB2 1 84 VAL H 4.316 3.863 4.769 4.262 3.886 4.328 . 0 0 "[ . 1 . 2]" 2
1256 1 83 LEU MD1 1 84 VAL H 4.738 4.230 5.246 5.002 4.525 5.165 . 0 0 "[ . 1 . 2]" 2
1257 1 84 VAL H 1 84 VAL QG 3.500 2.100 4.900 2.328 2.135 2.647 . 0 0 "[ . 1 . 2]" 2
1258 1 106 VAL H 1 134 HIS HA 2.995 2.530 3.460 2.978 2.765 3.403 . 0 0 "[ . 1 . 2]" 2
1259 1 105 PHE HA 1 106 VAL H 2.282 . 2.590 2.107 2.038 2.148 . 0 0 "[ . 1 . 2]" 2
1260 1 106 VAL H 1 106 VAL HA 2.904 2.429 3.379 2.916 2.879 2.943 . 0 0 "[ . 1 . 2]" 2
1261 1 105 PHE HB2 1 106 VAL H 4.753 4.157 5.349 4.314 4.247 4.355 . 0 0 "[ . 1 . 2]" 2
1262 1 105 PHE HB3 1 106 VAL H 4.063 3.519 4.607 3.688 3.493 3.803 0.026 5 0 "[ . 1 . 2]" 2
1263 1 106 VAL H 1 106 VAL HB 3.100 2.350 3.850 2.616 2.444 3.689 . 0 0 "[ . 1 . 2]" 2
1264 1 106 VAL H 1 138 ALA MB 3.422 2.901 6.000 4.245 3.882 4.668 . 0 0 "[ . 1 . 2]" 2
1265 1 105 PHE H 1 106 VAL H 4.400 3.900 4.900 4.165 4.074 4.367 . 0 0 "[ . 1 . 2]" 2
1266 1 106 VAL H 1 135 THR H 3.714 3.231 4.197 3.662 3.448 3.945 . 0 0 "[ . 1 . 2]" 2
1267 1 71 ASN HD21 1 86 LYS H 3.300 2.400 4.200 3.789 2.666 5.187 0.987 9 2 "[ . +1 . - 2]" 2
1268 1 85 TYR HA 1 86 LYS H 2.200 . 2.500 2.103 2.032 2.215 . 0 0 "[ . 1 . 2]" 2
1269 1 86 LYS H 1 86 LYS HA 2.600 2.100 3.100 2.920 2.866 2.935 . 0 0 "[ . 1 . 2]" 2
1270 1 85 TYR HB2 1 86 LYS H 3.700 2.800 4.600 4.402 4.305 4.483 . 0 0 "[ . 1 . 2]" 2
1271 1 86 LYS H 1 86 LYS QE 4.700 3.400 6.000 4.501 3.810 5.247 . 0 0 "[ . 1 . 2]" 2
1272 1 85 TYR HB3 1 86 LYS H 3.700 2.800 4.600 3.807 3.648 3.958 . 0 0 "[ . 1 . 2]" 2
1273 1 86 LYS H 1 86 LYS QB 3.000 2.200 3.800 2.740 2.369 3.029 . 0 0 "[ . 1 . 2]" 2
1274 1 86 LYS H 1 86 LYS HD2 4.400 3.600 5.200 4.454 3.054 4.897 0.546 15 1 "[ . 1 + 2]" 2
1275 1 86 LYS H 1 86 LYS QG 3.200 . 4.600 2.131 1.801 2.617 . 0 0 "[ . 1 . 2]" 2
1276 1 84 VAL QG 1 86 LYS H 4.500 3.000 6.000 3.226 2.984 3.438 0.016 1 0 "[ . 1 . 2]" 2
1277 1 85 TYR H 1 86 LYS H 4.200 3.700 4.700 4.019 3.816 4.175 . 0 0 "[ . 1 . 2]" 2
1278 1 134 HIS H 1 134 HIS HA 3.397 2.859 3.935 2.929 2.896 2.951 . 0 0 "[ . 1 . 2]" 2
1279 1 133 TRP HA 1 134 HIS H 2.200 . 2.700 2.238 2.173 2.333 . 0 0 "[ . 1 . 2]" 2
1280 1 134 HIS H 1 134 HIS HB2 2.744 2.304 3.184 2.541 2.429 2.598 . 0 0 "[ . 1 . 2]" 2
1281 1 134 HIS H 1 134 HIS HB3 4.032 3.545 4.519 3.702 3.638 3.746 . 0 0 "[ . 1 . 2]" 2
1282 1 123 ASP H 1 130 PHE H 4.400 3.900 4.900 4.088 3.870 4.649 0.030 6 0 "[ . 1 . 2]" 2
1283 1 123 ASP H 1 126 THR H 5.500 5.000 6.000 5.802 5.488 5.988 . 0 0 "[ . 1 . 2]" 2
1284 1 122 LEU HA 1 123 ASP H 2.182 . 2.465 2.256 2.139 2.349 . 0 0 "[ . 1 . 2]" 2
1285 1 123 ASP H 1 128 THR HB 4.242 3.676 4.808 4.213 4.002 4.562 . 0 0 "[ . 1 . 2]" 2
1286 1 123 ASP H 1 123 ASP HB2 2.662 2.282 3.042 2.892 2.745 3.048 0.006 12 0 "[ . 1 . 2]" 2
1287 1 123 ASP H 1 123 ASP HB3 2.745 2.245 3.245 2.610 2.500 2.775 . 0 0 "[ . 1 . 2]" 2
1288 1 122 LEU HB2 1 123 ASP H 4.969 4.401 5.537 4.605 4.276 4.699 0.125 11 0 "[ . 1 . 2]" 2
1289 1 122 LEU HG 1 123 ASP H 4.213 3.748 6.000 5.306 4.889 5.549 . 0 0 "[ . 1 . 2]" 2
1290 1 122 LEU HB3 1 123 ASP H 4.373 3.805 4.941 4.316 4.165 4.477 . 0 0 "[ . 1 . 2]" 2
1291 1 123 ASP H 1 129 LEU QD 4.441 3.717 5.165 3.980 3.376 4.391 0.341 4 0 "[ . 1 . 2]" 2
1292 1 122 LEU QD 1 123 ASP H 2.803 2.235 3.671 2.759 2.203 3.074 0.032 11 0 "[ . 1 . 2]" 2
1293 1 20 PHE H 1 20 PHE HB3 4.061 3.259 4.563 3.652 3.595 3.753 . 0 0 "[ . 1 . 2]" 2
1294 1 19 LEU HB3 1 20 PHE H 4.548 3.874 5.222 4.255 3.966 4.424 . 0 0 "[ . 1 . 2]" 2
1295 1 4 ASN HA 1 5 GLU H 2.837 2.006 5.900 3.199 2.555 3.546 . 0 0 "[ . 1 . 2]" 2
1296 1 5 GLU H 1 5 GLU HA 2.900 2.600 3.200 2.877 2.826 2.943 . 0 0 "[ . 1 . 2]" 2
1297 1 4 ASN QB 1 5 GLU H 4.000 3.500 4.500 3.317 2.378 4.003 1.122 15 6 "[ .*-* ** + 2]" 2
1298 1 5 GLU H 1 5 GLU HG3 3.501 2.240 4.562 3.470 2.172 4.723 0.161 7 0 "[ . 1 . 2]" 2
1299 1 5 GLU H 1 5 GLU HB2 3.000 2.250 3.750 2.781 2.387 3.651 . 0 0 "[ . 1 . 2]" 2
1300 1 5 GLU H 1 5 GLU HB3 3.000 2.250 3.750 3.240 2.480 3.674 . 0 0 "[ . 1 . 2]" 2
1301 1 12 THR HA 1 13 ASN H 2.262 . 2.578 2.156 2.088 2.251 . 0 0 "[ . 1 . 2]" 2
1302 1 13 ASN H 1 19 LEU HA 3.700 3.100 4.300 3.458 3.083 3.894 0.017 11 0 "[ . 1 . 2]" 2
1303 1 12 THR HB 1 13 ASN H 3.500 2.700 4.300 4.171 3.996 4.291 . 0 0 "[ . 1 . 2]" 2
1304 1 126 THR HA 1 127 CYS H 3.200 2.700 3.700 3.096 2.995 3.203 . 0 0 "[ . 1 . 2]" 2
1305 1 127 CYS H 1 127 CYS HB3 3.700 3.200 4.200 4.012 3.952 4.086 . 0 0 "[ . 1 . 2]" 2
1306 1 126 THR H 1 127 CYS H 2.100 . 2.400 2.240 2.056 2.396 . 0 0 "[ . 1 . 2]" 2
1307 1 127 CYS H 1 127 CYS HB2 3.700 3.200 4.200 3.564 3.466 3.627 . 0 0 "[ . 1 . 2]" 2
1308 1 126 THR MG 1 127 CYS H 4.194 3.678 4.710 4.252 4.147 4.339 . 0 0 "[ . 1 . 2]" 2
1309 1 122 LEU QD 1 127 CYS H 5.000 4.000 6.000 5.374 4.958 5.614 . 0 0 "[ . 1 . 2]" 2
1310 1 43 MET HA 1 44 SER H 2.281 . 2.601 2.129 2.063 2.200 . 0 0 "[ . 1 . 2]" 2
1311 1 44 SER H 1 44 SER HA 3.000 2.500 3.500 2.906 2.882 2.927 . 0 0 "[ . 1 . 2]" 2
1312 1 44 SER H 1 44 SER HB3 2.800 2.300 3.300 2.706 2.374 3.679 0.379 13 0 "[ . 1 . 2]" 2
1313 1 44 SER H 1 49 ASN HB2 4.500 3.000 6.000 3.527 2.979 5.659 0.021 4 0 "[ . 1 . 2]" 2
1314 1 44 SER H 1 49 ASN HB3 4.500 3.000 6.000 4.479 2.969 5.600 0.031 15 0 "[ . 1 . 2]" 2
1315 1 43 MET QB 1 44 SER H 3.828 2.760 4.296 3.156 2.867 3.473 . 0 0 "[ . 1 . 2]" 2
1316 1 44 SER H 1 58 ALA MB 3.534 3.021 4.047 3.372 3.015 3.813 0.006 11 0 "[ . 1 . 2]" 2
1317 1 21 ASP H 1 21 ASP HA 3.225 2.799 3.651 2.934 2.888 2.953 . 0 0 "[ . 1 . 2]" 2
1318 1 20 PHE HB2 1 21 ASP H 3.900 3.200 4.600 4.272 4.043 4.423 . 0 0 "[ . 1 . 2]" 2
1319 1 21 ASP H 1 21 ASP QB 3.300 2.600 4.000 2.813 2.472 3.162 0.128 13 0 "[ . 1 . 2]" 2
1320 1 20 PHE HB3 1 21 ASP H 3.900 3.200 4.600 3.517 3.195 3.751 0.005 15 0 "[ . 1 . 2]" 2
1321 1 65 ILE MG 1 66 SER H 2.874 2.517 3.431 2.881 2.591 3.025 . 0 0 "[ . 1 . 2]" 2
1322 1 19 LEU QD 1 21 ASP H 5.400 4.800 6.000 4.338 3.174 4.921 1.626 16 6 "[- ** 1* * .+ 2]" 2
1323 1 21 ASP H 1 22 LEU MD2 5.200 4.400 6.000 4.518 4.371 4.837 0.029 10 0 "[ . 1 . 2]" 2
1324 1 19 LEU HA 1 21 ASP H 4.449 4.072 6.000 5.657 5.320 6.010 0.010 9 0 "[ . 1 . 2]" 2
1325 1 65 ILE HA 1 66 SER H 2.200 . 2.900 2.162 2.101 2.239 . 0 0 "[ . 1 . 2]" 2
1326 1 20 PHE H 1 21 ASP H 4.531 3.804 5.258 4.283 4.012 4.472 . 0 0 "[ . 1 . 2]" 2
1327 1 66 SER H 1 67 VAL H 5.013 4.168 5.658 4.413 4.358 4.497 . 0 0 "[ . 1 . 2]" 2
1328 1 48 GLU H 1 48 GLU HB3 3.400 2.700 4.100 3.268 2.934 3.667 . 0 0 "[ . 1 . 2]" 2
1329 1 48 GLU H 1 70 ALA MB 4.300 3.200 5.400 3.346 3.168 3.771 0.032 12 0 "[ . 1 . 2]" 2
1330 1 47 GLY H 1 48 GLU H 4.560 4.024 5.096 4.310 4.151 4.541 . 0 0 "[ . 1 . 2]" 2
1331 1 47 GLY HA2 1 48 GLU H 2.600 2.100 3.100 2.716 2.464 2.889 . 0 0 "[ . 1 . 2]" 2
1332 1 47 GLY HA3 1 48 GLU H 2.600 2.100 3.100 2.372 2.142 2.636 . 0 0 "[ . 1 . 2]" 2
1333 1 48 GLU H 1 48 GLU HB2 3.500 2.800 4.200 3.443 2.737 3.720 0.063 9 0 "[ . 1 . 2]" 2
1334 1 48 GLU H 1 48 GLU QG 2.900 . 3.800 2.397 1.965 2.819 0.035 16 0 "[ . 1 . 2]" 2
1335 1 57 GLY HA2 1 58 ALA H 3.493 3.054 3.932 3.467 3.182 3.539 . 0 0 "[ . 1 . 2]" 2
1336 1 58 ALA H 1 58 ALA HA 2.565 2.124 3.006 2.885 2.824 2.912 . 0 0 "[ . 1 . 2]" 2
1337 1 57 GLY HA3 1 58 ALA H 3.210 2.752 3.668 3.008 2.803 3.361 . 0 0 "[ . 1 . 2]" 2
1338 1 56 VAL HB 1 58 ALA H 4.800 4.050 5.550 4.536 4.135 4.748 . 0 0 "[ . 1 . 2]" 2
1339 1 58 ALA H 1 58 ALA MB 2.791 2.536 3.600 2.668 2.553 2.819 . 0 0 "[ . 1 . 2]" 2
1340 1 56 VAL MG2 1 58 ALA H 3.900 . 6.000 4.763 4.544 5.005 . 0 0 "[ . 1 . 2]" 2
1341 1 58 ALA H 1 70 ALA H 5.408 4.798 6.018 5.343 5.043 5.651 . 0 0 "[ . 1 . 2]" 2
1342 1 58 ALA H 1 59 CYS H 4.111 3.514 4.708 4.193 3.993 4.283 . 0 0 "[ . 1 . 2]" 2
1343 1 57 GLY H 1 58 ALA H 2.147 . 2.487 2.196 2.081 2.367 . 0 0 "[ . 1 . 2]" 2
1344 1 48 GLU HA 1 56 VAL H 5.000 4.000 6.000 4.802 4.421 5.327 . 0 0 "[ . 1 . 2]" 2
1345 1 55 GLY QA 1 56 VAL H 3.500 2.500 4.500 2.805 2.660 2.918 . 0 0 "[ . 1 . 2]" 2
1346 1 56 VAL H 1 56 VAL HA 2.765 2.353 3.177 2.896 2.877 2.905 . 0 0 "[ . 1 . 2]" 2
1347 1 56 VAL H 1 56 VAL HB 2.883 . 3.780 2.492 2.413 2.552 . 0 0 "[ . 1 . 2]" 2
1348 1 48 GLU HB2 1 56 VAL H 4.000 2.900 5.100 3.918 3.077 5.141 0.041 4 0 "[ . 1 . 2]" 2
1349 1 48 GLU HB3 1 56 VAL H 4.000 2.900 5.100 3.877 3.084 4.927 . 0 0 "[ . 1 . 2]" 2
1350 1 56 VAL H 1 56 VAL MG1 3.200 . 4.700 3.769 3.742 3.802 . 0 0 "[ . 1 . 2]" 2
1351 1 56 VAL H 1 56 VAL MG2 3.200 . 4.700 2.283 2.088 2.427 . 0 0 "[ . 1 . 2]" 2
1352 1 55 GLY H 1 56 VAL H 2.300 . 2.800 2.204 1.960 2.536 . 0 0 "[ . 1 . 2]" 2
1353 1 56 VAL H 1 57 GLY H 4.336 3.826 4.846 4.519 4.453 4.598 . 0 0 "[ . 1 . 2]" 2
1354 1 104 SER H 1 105 PHE H 4.041 3.562 4.520 4.240 4.064 4.460 . 0 0 "[ . 1 . 2]" 2
1355 1 82 GLN HA 1 105 PHE H 3.500 3.000 4.000 3.200 2.972 3.619 0.028 2 0 "[ . 1 . 2]" 2
1356 1 105 PHE H 1 105 PHE HA 3.255 2.749 3.761 2.919 2.894 2.936 . 0 0 "[ . 1 . 2]" 2
1357 1 104 SER HA 1 105 PHE H 2.462 2.127 2.797 2.175 2.115 2.337 0.012 7 0 "[ . 1 . 2]" 2
1358 1 104 SER QB 1 105 PHE H 4.100 3.600 4.600 3.758 3.364 4.016 0.236 8 0 "[ . 1 . 2]" 2
1359 1 105 PHE H 1 105 PHE HB2 3.100 2.500 3.700 2.483 2.457 2.501 0.043 2 0 "[ . 1 . 2]" 2
1360 1 105 PHE H 1 105 PHE HB3 3.100 2.500 3.700 3.643 3.616 3.677 . 0 0 "[ . 1 . 2]" 2
1361 1 80 VAL HB 1 105 PHE H 4.500 3.700 5.300 4.931 3.657 5.390 0.090 20 0 "[ . 1 . 2]" 2
1362 1 81 LEU QB 1 105 PHE H 3.559 2.984 4.134 3.480 3.153 3.691 . 0 0 "[ . 1 . 2]" 2
1363 1 81 LEU HG 1 105 PHE H 5.135 4.515 5.755 5.642 5.267 5.787 0.032 9 0 "[ . 1 . 2]" 2
1364 1 80 VAL QG 1 105 PHE H 4.200 2.400 6.000 2.967 2.416 4.066 . 0 0 "[ . 1 . 2]" 2
1365 1 92 PRO QD 1 94 LYS H 4.900 3.400 1504.900 4.506 3.862 5.137 . 0 0 "[ . 1 . 2]" 2
1366 1 94 LYS H 1 94 LYS QD 4.000 . 6.000 3.807 2.206 4.619 . 0 0 "[ . 1 . 2]" 2
1367 1 94 LYS H 1 94 LYS QG 3.900 2.900 4.900 3.518 2.838 4.337 0.062 19 0 "[ . 1 . 2]" 2
1368 1 95 SER H 1 95 SER QB 2.500 . 3.000 2.439 2.218 2.704 . 0 0 "[ . 1 . 2]" 2
1369 1 11 VAL HB 1 12 THR H 4.100 3.600 4.600 4.110 3.878 4.297 . 0 0 "[ . 1 . 2]" 2
1370 1 11 VAL QG 1 12 THR H 3.900 2.200 5.600 2.582 2.310 2.910 . 0 0 "[ . 1 . 2]" 2
1371 1 12 THR H 1 19 LEU QD 4.700 3.400 6.000 3.687 3.351 4.812 0.049 17 0 "[ . 1 . 2]" 2
1372 1 11 VAL HA 1 12 THR H 2.405 2.115 2.695 2.188 2.125 2.286 . 0 0 "[ . 1 . 2]" 2
1373 1 12 THR H 1 12 THR HB 2.985 2.588 3.382 2.637 2.563 2.822 0.025 17 0 "[ . 1 . 2]" 2
1374 1 12 THR H 1 13 ASN H 4.676 4.039 5.313 4.301 4.032 4.469 0.007 10 0 "[ . 1 . 2]" 2
1375 1 125 GLN H 1 127 CYS H 3.500 3.000 4.000 3.337 3.000 3.676 0.000 13 0 "[ . 1 . 2]" 2
1376 1 125 GLN H 1 126 THR H 2.400 . 2.900 2.591 2.299 2.817 . 0 0 "[ . 1 . 2]" 2
1377 1 123 ASP HA 1 125 GLN H 3.617 3.139 4.095 3.349 3.120 3.629 0.019 6 0 "[ . 1 . 2]" 2
1378 1 125 GLN H 1 125 GLN HA 2.690 2.386 2.994 2.859 2.811 2.905 . 0 0 "[ . 1 . 2]" 2
1379 1 125 GLN H 1 125 GLN QG 3.500 2.400 4.600 2.415 2.327 2.574 0.073 6 0 "[ . 1 . 2]" 2
1380 1 125 GLN H 1 125 GLN QB 2.877 2.295 3.959 2.435 2.355 2.523 . 0 0 "[ . 1 . 2]" 2
1381 1 125 GLN H 1 126 THR MG 5.100 4.200 6.000 4.753 4.385 4.995 . 0 0 "[ . 1 . 2]" 2
1382 1 122 LEU QD 1 125 GLN H 4.495 3.936 5.354 4.844 4.289 5.120 . 0 0 "[ . 1 . 2]" 2
1383 1 124 LYS H 1 125 GLN H 2.269 . 2.569 2.449 2.309 2.579 0.010 15 0 "[ . 1 . 2]" 2
1384 1 37 LYS H 1 37 LYS HG2 4.200 2.800 5.600 3.975 2.747 5.362 0.053 3 0 "[ . 1 . 2]" 2
1385 1 36 ALA HA 1 37 LYS H 2.800 . 3.600 2.860 2.123 3.559 . 0 0 "[ . 1 . 2]" 2
1386 1 37 LYS H 1 37 LYS HB3 4.000 2.800 5.200 3.685 2.817 4.173 . 0 0 "[ . 1 . 2]" 2
1387 1 37 LYS H 1 37 LYS HD2 3.800 . 5.800 4.371 2.510 5.382 . 0 0 "[ . 1 . 2]" 2
1388 1 37 LYS H 1 37 LYS HD3 3.800 . 5.800 4.099 2.534 5.534 . 0 0 "[ . 1 . 2]" 2
1389 1 37 LYS H 1 37 LYS HG3 4.200 2.800 5.600 4.277 3.236 4.823 . 0 0 "[ . 1 . 2]" 2
1390 1 36 ALA MB 1 37 LYS H 3.300 . 4.700 3.183 1.887 3.687 0.013 6 0 "[ . 1 . 2]" 2
1391 1 63 THR H 1 65 ILE H 4.026 3.352 5.100 4.169 3.803 4.395 . 0 0 "[ . 1 . 2]" 2
1392 1 66 SER HG 1 68 GLY H 4.100 3.200 5.000 4.715 4.129 5.044 0.044 6 0 "[ . 1 . 2]" 2
1393 1 68 GLY H 1 68 GLY HA3 3.273 2.834 3.712 2.857 2.782 2.914 0.052 17 0 "[ . 1 . 2]" 2
1394 1 66 SER HA 1 68 GLY H 3.400 2.400 4.400 3.407 3.181 3.612 . 0 0 "[ . 1 . 2]" 2
1395 1 68 GLY H 1 88 GLY HA2 4.000 2.700 5.300 3.251 2.677 3.923 0.023 12 0 "[ . 1 . 2]" 2
1396 1 62 GLN HA 1 63 THR H 3.400 2.400 4.400 3.388 3.213 3.504 . 0 0 "[ . 1 . 2]" 2
1397 1 68 GLY H 1 88 GLY HA3 4.000 2.700 5.300 3.110 2.675 3.899 0.025 15 0 "[ . 1 . 2]" 2
1398 1 68 GLY H 1 99 TYR QB 5.500 4.600 6.000 4.566 4.163 5.175 0.437 6 0 "[ . 1 . 2]" 2
1399 1 62 GLN HB3 1 63 THR H 3.800 2.700 4.900 3.928 2.890 4.290 . 0 0 "[ . 1 . 2]" 2
1400 1 63 THR H 1 63 THR MG 3.900 3.000 4.800 3.700 2.953 3.799 0.047 18 0 "[ . 1 . 2]" 2
1401 1 58 ALA MB 1 68 GLY H 3.848 2.828 5.400 3.933 3.267 4.713 . 0 0 "[ . 1 . 2]" 2
1402 1 67 VAL QG 1 68 GLY H 3.704 3.205 4.803 3.407 3.100 3.551 0.105 7 0 "[ . 1 . 2]" 2
1403 1 68 GLY H 1 69 LYS H 4.000 3.500 4.500 3.993 3.793 4.167 . 0 0 "[ . 1 . 2]" 2
1404 1 61 GLY H 1 63 THR H 5.000 4.000 6.000 5.312 5.043 5.532 . 0 0 "[ . 1 . 2]" 2
1405 1 106 VAL H 1 133 TRP H 3.738 3.178 4.298 3.270 3.149 3.668 0.029 17 0 "[ . 1 . 2]" 2
1406 1 104 SER H 1 133 TRP H 4.282 3.626 4.938 3.811 3.623 4.101 0.003 7 0 "[ . 1 . 2]" 2
1407 1 132 SER HA 1 133 TRP H 2.436 2.139 2.733 2.169 2.118 2.288 0.021 20 0 "[ . 1 . 2]" 2
1408 1 132 SER HB2 1 133 TRP H 4.917 3.834 5.400 4.042 3.194 4.353 0.640 10 2 "[ - . + . 2]" 2
1409 1 133 TRP H 1 133 TRP HB2 2.900 2.400 3.400 2.923 2.735 3.186 . 0 0 "[ . 1 . 2]" 2
1410 1 133 TRP H 1 133 TRP HB3 2.900 2.400 3.400 2.649 2.512 2.754 . 0 0 "[ . 1 . 2]" 2
1411 1 40 GLY HA3 1 41 VAL H 2.700 . 3.450 3.294 2.826 3.483 0.033 19 0 "[ . 1 . 2]" 2
1412 1 41 VAL H 1 41 VAL HB 2.827 2.419 3.235 2.677 2.442 3.244 0.009 7 0 "[ . 1 . 2]" 2
1413 1 41 VAL H 1 41 VAL MG1 3.500 . 5.000 3.488 2.006 3.889 . 0 0 "[ . 1 . 2]" 2
1414 1 33 ALA H 1 41 VAL H 3.594 2.776 4.412 3.197 2.819 3.897 . 0 0 "[ . 1 . 2]" 2
1415 1 87 ASP H 1 88 GLY H 3.200 2.600 3.800 2.970 2.570 3.726 0.030 15 0 "[ . 1 . 2]" 2
1416 1 86 LYS HA 1 87 ASP H 2.800 . 3.700 2.510 2.259 2.781 . 0 0 "[ . 1 . 2]" 2
1417 1 87 ASP H 1 87 ASP HA 2.400 . 2.900 2.219 2.188 2.253 . 0 0 "[ . 1 . 2]" 2
1418 1 87 ASP H 1 87 ASP HB2 3.600 2.900 4.300 3.332 3.051 3.676 . 0 0 "[ . 1 . 2]" 2
1419 1 87 ASP H 1 87 ASP HB3 3.600 2.900 4.300 3.814 3.558 4.166 . 0 0 "[ . 1 . 2]" 2
1420 1 86 LYS HB3 1 87 ASP H 2.700 . 3.700 3.260 1.940 3.712 0.012 9 0 "[ . 1 . 2]" 2
1421 1 86 LYS HD2 1 87 ASP H 4.700 3.700 5.700 4.819 3.712 6.032 0.332 4 0 "[ . 1 . 2]" 2
1422 1 86 LYS HG3 1 87 ASP H 4.000 3.250 4.750 3.869 2.893 4.799 0.357 11 0 "[ . 1 . 2]" 2
1423 1 51 ASN H 1 51 ASN HA 3.300 2.300 4.300 2.916 2.880 2.945 . 0 0 "[ . 1 . 2]" 2
1424 1 50 GLU HA 1 51 ASN H 3.800 2.800 4.800 3.341 3.105 3.487 . 0 0 "[ . 1 . 2]" 2
1425 1 49 ASN HB2 1 51 ASN H 3.500 . 5.000 4.090 2.604 4.562 . 0 0 "[ . 1 . 2]" 2
1426 1 50 GLU QG 1 51 ASN H 4.100 2.600 5.600 3.553 2.712 4.559 . 0 0 "[ . 1 . 2]" 2
1427 1 51 ASN H 1 51 ASN HB3 3.000 2.200 3.800 3.511 2.432 3.707 . 0 0 "[ . 1 . 2]" 2
1428 1 51 ASN H 1 51 ASN HB2 3.000 2.200 3.800 2.589 2.411 3.718 . 0 0 "[ . 1 . 2]" 2
1429 1 50 GLU H 1 51 ASN H 2.793 2.367 3.219 2.632 2.415 2.863 . 0 0 "[ . 1 . 2]" 2
1430 1 29 ALA H 1 30 GLY H 2.894 2.092 3.196 2.209 2.085 2.403 0.007 8 0 "[ . 1 . 2]" 2
1431 1 27 GLY HA2 1 29 ALA H 3.600 3.000 4.200 3.997 3.677 4.221 0.021 1 0 "[ . 1 . 2]" 2
1432 1 28 ARG HA 1 29 ALA H 3.585 3.134 4.036 3.459 3.384 3.546 . 0 0 "[ . 1 . 2]" 2
1433 1 90 PRO HA 1 91 CYS H 2.869 . 3.164 2.169 2.086 2.374 . 0 0 "[ . 1 . 2]" 2
1434 1 29 ALA H 1 29 ALA HA 2.627 2.313 2.941 2.891 2.860 2.916 . 0 0 "[ . 1 . 2]" 2
1435 1 27 GLY HA3 1 29 ALA H 3.600 3.000 4.200 3.647 3.345 3.984 . 0 0 "[ . 1 . 2]" 2
1436 1 29 ALA H 1 50 GLU QG 4.400 3.100 5.700 3.756 3.395 5.183 . 0 0 "[ . 1 . 2]" 2
1437 1 91 CYS H 1 91 CYS HB3 3.100 2.350 3.850 3.589 3.501 3.828 . 0 0 "[ . 1 . 2]" 2
1438 1 28 ARG HG2 1 29 ALA H 4.200 3.000 5.400 4.653 3.042 5.210 . 0 0 "[ . 1 . 2]" 2
1439 1 29 ALA H 1 29 ALA MB 2.808 . 4.000 2.310 2.281 2.344 . 0 0 "[ . 1 . 2]" 2
1440 1 28 ARG H 1 29 ALA H 2.810 . 3.136 2.452 2.320 2.656 . 0 0 "[ . 1 . 2]" 2
1441 1 49 ASN HB2 1 50 GLU H 3.500 2.700 4.300 3.977 2.821 4.411 0.111 10 0 "[ . 1 . 2]" 2
1442 1 95 SER HA 1 96 GLY H 2.200 . 2.900 2.191 2.107 2.557 . 0 0 "[ . 1 . 2]" 2
1443 1 96 GLY H 1 96 GLY HA2 2.700 2.200 3.200 2.416 2.273 2.604 . 0 0 "[ . 1 . 2]" 2
1444 1 96 GLY H 1 96 GLY HA3 2.700 2.200 3.200 2.917 2.828 2.948 . 0 0 "[ . 1 . 2]" 2
1445 1 96 GLY H 1 97 LEU MD2 5.100 4.200 6.000 5.201 4.381 6.316 0.316 7 0 "[ . 1 . 2]" 2
1446 1 128 THR H 1 128 THR HA 3.463 2.932 4.000 2.925 2.915 2.935 0.017 4 0 "[ . 1 . 2]" 2
1447 1 121 SER H 1 121 SER HA 3.256 2.780 3.732 2.902 2.864 2.920 . 0 0 "[ . 1 . 2]" 2
1448 1 121 SER H 1 130 PHE HB2 2.900 2.100 3.700 2.190 2.086 2.327 0.014 2 0 "[ . 1 . 2]" 2
1449 1 120 ILE HA 1 121 SER H 3.725 3.128 4.222 3.554 3.526 3.575 . 0 0 "[ . 1 . 2]" 2
1450 1 119 LEU HA 1 121 SER H 4.021 3.485 4.857 4.033 3.838 4.242 . 0 0 "[ . 1 . 2]" 2
1451 1 120 ILE HB 1 121 SER H 2.700 2.200 3.200 2.605 2.400 2.864 . 0 0 "[ . 1 . 2]" 2
1452 1 120 ILE QG 1 121 SER H 4.077 3.649 4.505 4.042 3.933 4.185 . 0 0 "[ . 1 . 2]" 2
1453 1 120 ILE MG 1 121 SER H 3.512 3.162 4.362 3.371 3.214 3.590 . 0 0 "[ . 1 . 2]" 2
1454 1 119 LEU QD 1 121 SER H 3.700 2.500 4.900 2.540 2.452 2.717 0.048 5 0 "[ . 1 . 2]" 2
1455 1 127 CYS H 1 128 THR H 2.659 2.309 3.009 2.842 2.662 2.993 . 0 0 "[ . 1 . 2]" 2
1456 1 120 ILE H 1 121 SER H 2.309 . 2.637 2.374 2.169 2.549 . 0 0 "[ . 1 . 2]" 2
1457 1 121 SER H 1 130 PHE H 3.265 2.819 3.711 3.260 3.016 3.521 . 0 0 "[ . 1 . 2]" 2
1458 1 101 SER HA 1 129 LEU H 2.912 2.449 3.375 2.679 2.467 3.099 . 0 0 "[ . 1 . 2]" 2
1459 1 128 THR HA 1 129 LEU H 2.154 . 2.459 2.122 2.059 2.186 . 0 0 "[ . 1 . 2]" 2
1460 1 129 LEU H 1 129 LEU HA 3.020 2.537 3.503 2.917 2.895 2.941 . 0 0 "[ . 1 . 2]" 2
1461 1 129 LEU H 1 129 LEU HB2 2.601 . 3.055 2.512 2.188 2.609 . 0 0 "[ . 1 . 2]" 2
1462 1 129 LEU H 1 129 LEU HB3 3.854 3.047 4.361 3.668 3.442 3.715 . 0 0 "[ . 1 . 2]" 2
1463 1 129 LEU H 1 129 LEU HG 4.081 3.064 5.098 3.900 3.768 4.270 . 0 0 "[ . 1 . 2]" 2
1464 1 129 LEU H 1 129 LEU QD 2.868 2.718 3.237 2.393 2.243 2.768 0.475 18 0 "[ . 1 . 2]" 2
1465 1 25 LEU HA 1 26 SER H 3.400 2.400 4.400 3.213 2.969 3.379 . 0 0 "[ . 1 . 2]" 2
1466 1 25 LEU HA 1 26 SER H 3.400 2.704 4.096 3.236 2.987 3.412 . 0 0 "[ . 1 . 2]" 2
1467 1 24 SER HA 1 26 SER H 4.134 3.563 4.705 3.878 3.564 4.307 . 0 0 "[ . 1 . 2]" 2
1468 1 26 SER H 1 26 SER HB3 3.100 2.500 3.700 2.760 2.494 3.615 0.006 17 0 "[ . 1 . 2]" 2
1469 1 26 SER H 1 26 SER HB2 3.100 2.500 3.700 2.671 2.482 3.518 0.018 19 0 "[ . 1 . 2]" 2
1470 1 25 LEU HB3 1 26 SER H 3.900 3.200 4.600 4.240 3.976 4.603 0.003 14 0 "[ . 1 . 2]" 2
1471 1 25 LEU HB2 1 26 SER H 3.900 3.200 4.600 3.537 3.177 4.467 0.023 10 0 "[ . 1 . 2]" 2
1472 1 25 LEU HG 1 26 SER H 4.300 3.800 4.800 4.649 4.078 4.822 0.022 18 0 "[ . 1 . 2]" 2
1473 1 25 LEU QD 1 26 SER H 4.900 3.800 6.000 4.302 3.676 4.388 0.124 14 0 "[ . 1 . 2]" 2
1474 1 26 SER H 1 27 GLY H 4.254 3.714 4.794 4.440 4.110 4.609 . 0 0 "[ . 1 . 2]" 2
1475 1 24 SER H 1 26 SER H 4.144 3.653 4.635 3.957 3.677 4.271 . 0 0 "[ . 1 . 2]" 2
1476 1 25 LEU H 1 26 SER H 2.196 . 2.464 2.177 1.930 2.346 . 0 0 "[ . 1 . 2]" 2
1477 1 60 PHE H 1 65 ILE H 4.010 2.810 5.210 3.303 3.038 3.679 . 0 0 "[ . 1 . 2]" 2
1478 1 59 CYS HA 1 60 PHE H 2.487 2.111 2.863 2.144 2.108 2.200 0.003 2 0 "[ . 1 . 2]" 2
1479 1 60 PHE H 1 60 PHE HA 2.974 2.474 3.474 2.923 2.905 2.943 . 0 0 "[ . 1 . 2]" 2
1480 1 60 PHE H 1 60 PHE HB2 2.800 . 3.800 2.827 2.651 3.069 . 0 0 "[ . 1 . 2]" 2
1481 1 59 CYS HB3 1 60 PHE H 3.750 3.000 4.500 3.125 3.000 3.944 0.000 7 0 "[ . 1 . 2]" 2
1482 1 60 PHE H 1 60 PHE HB3 2.800 . 3.800 2.480 2.392 2.607 . 0 0 "[ . 1 . 2]" 2
1483 1 59 CYS HB2 1 60 PHE H 3.750 3.000 4.500 4.002 3.012 4.136 . 0 0 "[ . 1 . 2]" 2
1484 1 137 LEU H 1 137 LEU HA 3.023 2.582 3.464 2.869 2.824 2.897 . 0 0 "[ . 1 . 2]" 2
1485 1 137 LEU H 1 137 LEU HB2 2.198 . 2.541 2.423 2.366 2.513 . 0 0 "[ . 1 . 2]" 2
1486 1 41 VAL QG 1 60 PHE H 4.301 3.811 4.791 4.258 3.857 4.699 . 0 0 "[ . 1 . 2]" 2
1487 1 135 THR H 1 137 LEU H 4.416 3.786 5.046 4.768 4.668 4.903 . 0 0 "[ . 1 . 2]" 2
1488 1 101 SER HA 1 102 VAL H 2.304 . 2.616 2.141 2.025 2.182 . 0 0 "[ . 1 . 2]" 2
1489 1 102 VAL H 1 130 PHE HA 3.448 2.926 3.970 3.144 2.943 3.331 . 0 0 "[ . 1 . 2]" 2
1490 1 101 SER HB2 1 102 VAL H 3.800 3.100 4.500 3.957 3.076 4.430 0.024 4 0 "[ . 1 . 2]" 2
1491 1 102 VAL H 1 102 VAL HB 2.601 2.227 2.975 2.608 2.547 2.689 . 0 0 "[ . 1 . 2]" 2
1492 1 102 VAL H 1 102 VAL MG1 3.503 3.066 3.940 3.835 3.797 3.867 . 0 0 "[ . 1 . 2]" 2
1493 1 102 VAL H 1 102 VAL MG2 2.492 2.128 2.856 2.687 2.467 2.864 0.008 18 0 "[ . 1 . 2]" 2
1494 1 102 VAL H 1 128 THR MG 4.200 3.400 5.000 3.452 3.373 3.656 0.027 4 0 "[ . 1 . 2]" 2
1495 1 11 VAL H 1 12 THR H 4.200 3.700 4.700 4.284 4.120 4.464 . 0 0 "[ . 1 . 2]" 2
1496 1 61 GLY HA2 1 62 GLN H 2.600 . 3.350 2.406 2.247 2.581 . 0 0 "[ . 1 . 2]" 2
1497 1 62 GLN H 1 62 GLN HA 2.522 2.260 6.000 2.856 2.796 2.907 . 0 0 "[ . 1 . 2]" 2
1498 1 62 GLN H 1 62 GLN HB3 3.100 . 4.200 3.199 2.443 3.648 . 0 0 "[ . 1 . 2]" 2
1499 1 62 GLN H 1 63 THR H 2.400 . 3.400 2.460 2.209 2.685 . 0 0 "[ . 1 . 2]" 2
1500 1 10 GLN H 1 11 VAL H 4.611 4.040 5.182 4.163 4.034 4.277 0.006 17 0 "[ . 1 . 2]" 2
1501 1 11 VAL H 1 12 THR HA 4.533 3.849 5.217 4.694 4.397 4.878 . 0 0 "[ . 1 . 2]" 2
1502 1 10 GLN HA 1 11 VAL H 2.374 2.059 2.689 2.151 2.056 2.354 0.003 12 0 "[ . 1 . 2]" 2
1503 1 11 VAL H 1 21 ASP HA 3.800 3.300 4.300 3.686 3.324 4.314 0.014 11 0 "[ . 1 . 2]" 2
1504 1 11 VAL H 1 20 PHE HB2 3.100 2.300 3.900 2.978 2.440 3.412 . 0 0 "[ . 1 . 2]" 2
1505 1 11 VAL H 1 11 VAL HB 3.100 2.600 3.600 2.796 2.598 3.457 0.002 2 0 "[ . 1 . 2]" 2
1506 1 10 GLN HB3 1 11 VAL H 3.600 2.800 4.400 3.997 2.889 4.228 . 0 0 "[ . 1 . 2]" 2
1507 1 11 VAL H 1 74 LEU QD 3.343 2.882 6.000 3.297 2.868 3.825 0.014 14 0 "[ . 1 . 2]" 2
1508 1 11 VAL H 1 11 VAL HA 3.023 2.577 3.469 2.937 2.825 2.961 . 0 0 "[ . 1 . 2]" 2
1509 1 11 VAL H 1 19 LEU QD 2.829 2.446 3.212 2.921 2.576 3.198 . 0 0 "[ . 1 . 2]" 2
1510 1 11 VAL H 1 20 PHE H 3.167 2.691 3.643 2.991 2.682 3.342 0.009 18 0 "[ . 1 . 2]" 2
1511 1 69 LYS HG3 1 70 ALA H 3.600 2.400 4.800 3.144 2.197 4.827 0.203 7 0 "[ . 1 . 2]" 2
1512 1 56 VAL MG1 1 70 ALA H 4.829 4.245 5.413 4.716 4.582 5.035 . 0 0 "[ . 1 . 2]" 2
1513 1 69 LYS HA 1 70 ALA H 2.400 . 2.900 2.323 2.247 2.433 . 0 0 "[ . 1 . 2]" 2
1514 1 56 VAL HA 1 70 ALA H 3.067 2.691 3.443 3.008 2.759 3.322 . 0 0 "[ . 1 . 2]" 2
1515 1 57 GLY HA3 1 70 ALA H 4.013 3.423 4.603 3.924 3.703 4.270 . 0 0 "[ . 1 . 2]" 2
1516 1 70 ALA H 1 70 ALA MB 2.323 . 2.733 2.197 2.169 2.224 . 0 0 "[ . 1 . 2]" 2
1517 1 69 LYS HB3 1 70 ALA H 3.200 2.500 3.900 3.381 2.491 3.930 0.030 13 0 "[ . 1 . 2]" 2
1518 1 69 LYS HD2 1 70 ALA H 4.000 3.000 5.000 3.161 2.463 3.888 0.537 20 1 "[ . 1 . +]" 2
1519 1 56 VAL MG2 1 70 ALA H 4.518 3.968 5.068 4.744 4.479 4.985 . 0 0 "[ . 1 . 2]" 2
1520 1 69 LYS H 1 70 ALA H 4.813 4.139 5.487 4.557 4.511 4.609 . 0 0 "[ . 1 . 2]" 2
1521 1 57 GLY H 1 70 ALA H 2.964 2.587 3.341 3.182 2.914 3.355 0.014 6 0 "[ . 1 . 2]" 2
1522 1 138 ALA MB 1 140 GLU H 5.488 4.753 6.223 5.937 5.596 6.217 . 0 0 "[ . 1 . 2]" 2
1523 1 139 CYS H 1 140 GLU H 4.858 4.366 5.350 4.417 4.342 4.534 0.024 12 0 "[ . 1 . 2]" 2
1524 1 139 CYS HA 1 140 GLU H 2.210 . 2.452 2.280 2.138 2.435 . 0 0 "[ . 1 . 2]" 2
1525 1 140 GLU H 1 140 GLU HA 2.848 2.514 3.182 2.868 2.833 2.915 . 0 0 "[ . 1 . 2]" 2
1526 1 139 CYS QB 1 140 GLU H 3.300 2.400 4.200 2.828 2.450 3.606 . 0 0 "[ . 1 . 2]" 2
1527 1 140 GLU H 1 140 GLU HG2 2.800 . 3.900 2.405 1.752 3.672 . 0 0 "[ . 1 . 2]" 2
1528 1 140 GLU H 1 140 GLU HB2 3.200 2.500 3.900 3.280 2.339 3.766 0.161 10 0 "[ . 1 . 2]" 2
1529 1 140 GLU H 1 140 GLU HG3 2.800 . 3.900 2.840 2.167 3.399 . 0 0 "[ . 1 . 2]" 2
1530 1 95 SER H 1 97 LEU H 5.000 4.000 6.000 4.909 4.469 5.851 . 0 0 "[ . 1 . 2]" 2
1531 1 94 LYS H 1 95 SER H 3.500 2.500 4.500 3.696 2.901 4.307 . 0 0 "[ . 1 . 2]" 2
1532 1 94 LYS HA 1 95 SER H 3.400 2.100 4.700 2.628 2.080 3.553 0.020 1 0 "[ . 1 . 2]" 2
1533 1 95 SER H 1 95 SER HB3 3.100 2.500 3.700 3.241 2.428 3.636 0.072 6 0 "[ . 1 . 2]" 2
1534 1 94 LYS HD3 1 95 SER H 4.300 3.200 5.400 4.724 3.008 6.218 0.818 3 2 "[ + . 1 - . 2]" 2
1535 1 94 LYS HG3 1 95 SER H 4.600 3.600 5.600 4.860 3.512 6.020 0.420 7 0 "[ . 1 . 2]" 2
1536 1 120 ILE H 1 120 ILE MG 3.766 3.302 4.230 3.803 3.766 3.841 . 0 0 "[ . 1 . 2]" 2
1537 1 120 ILE H 1 120 ILE HB 2.784 2.331 3.237 2.503 2.441 2.565 . 0 0 "[ . 1 . 2]" 2
1538 1 120 ILE H 1 120 ILE HG12 2.646 2.233 3.059 2.519 2.353 2.764 . 0 0 "[ . 1 . 2]" 2
1539 1 39 TRP H 1 40 GLY H 4.100 3.500 4.700 3.910 3.477 4.542 0.023 11 0 "[ . 1 . 2]" 2
1540 1 39 TRP HB2 1 40 GLY H 3.700 2.200 5.200 4.130 2.176 4.472 0.024 13 0 "[ . 1 . 2]" 2
1541 1 39 TRP HB3 1 40 GLY H 3.700 2.200 5.200 3.857 2.264 4.600 . 0 0 "[ . 1 . 2]" 2
1542 1 35 TYR QB 1 40 GLY H 5.400 4.800 6.000 5.025 3.689 5.851 1.111 5 1 "[ + 1 . 2]" 2
1543 1 80 VAL HB 1 81 LEU H 3.381 2.484 4.478 3.676 2.442 4.205 0.042 7 0 "[ . 1 . 2]" 2
1544 1 81 LEU H 1 81 LEU QB 2.580 2.117 3.043 2.395 2.236 2.495 . 0 0 "[ . 1 . 2]" 2
1545 1 14 PRO HA 1 15 SER H 3.525 3.049 4.001 3.441 3.332 3.513 . 0 0 "[ . 1 . 2]" 2
1546 1 15 SER H 1 16 THR H 2.500 . 3.000 2.678 2.447 2.951 . 0 0 "[ . 1 . 2]" 2
1547 1 15 SER H 1 16 THR HA 5.780 5.072 6.488 5.211 5.088 5.368 . 0 0 "[ . 1 . 2]" 2
1548 1 15 SER H 1 15 SER HA 2.964 2.646 3.282 2.820 2.772 2.868 . 0 0 "[ . 1 . 2]" 2
1549 1 13 ASN HA 1 15 SER H 3.700 3.200 4.200 3.705 3.428 3.910 . 0 0 "[ . 1 . 2]" 2
1550 1 15 SER H 1 15 SER QB 2.900 2.100 3.700 2.475 2.271 2.679 . 0 0 "[ . 1 . 2]" 2
1551 1 14 PRO HD2 1 15 SER H 3.300 2.550 4.050 2.808 2.530 2.972 0.020 9 0 "[ . 1 . 2]" 2
1552 1 14 PRO HB2 1 15 SER H 3.900 3.300 4.500 3.380 2.895 3.825 0.405 1 0 "[ . 1 . 2]" 2
1553 1 14 PRO HG2 1 15 SER H 3.800 2.800 4.800 3.692 2.787 4.524 0.013 16 0 "[ . 1 . 2]" 2
1554 1 15 SER H 1 16 THR MG 5.200 4.400 6.000 4.752 4.394 5.357 0.006 15 0 "[ . 1 . 2]" 2
1555 1 15 SER H 1 17 GLY H 3.659 3.243 4.075 3.641 3.432 4.022 . 0 0 "[ . 1 . 2]" 2
1556 1 35 TYR H 1 35 TYR QB 3.100 2.300 3.900 2.463 2.189 3.128 0.111 1 0 "[ . 1 . 2]" 2
1557 1 35 TYR H 1 35 TYR HA 2.867 2.237 3.197 2.912 2.881 2.952 . 0 0 "[ . 1 . 2]" 2
1558 1 35 TYR H 1 40 GLY HA2 4.300 2.600 6.000 3.601 2.187 5.244 0.413 2 0 "[ . 1 . 2]" 2
1559 1 34 ALA MB 1 35 TYR H 2.900 . 4.100 3.198 2.912 3.406 . 0 0 "[ . 1 . 2]" 2
1560 1 137 LEU H 1 137 LEU HG 3.400 2.300 4.500 2.596 2.365 4.423 . 0 0 "[ . 1 . 2]" 2
1561 1 137 LEU H 1 138 ALA MB 4.384 3.735 5.033 4.087 3.957 4.291 . 0 0 "[ . 1 . 2]" 2
1562 1 137 LEU H 1 137 LEU QD 4.300 3.400 5.200 3.229 3.124 3.696 0.276 7 0 "[ . 1 . 2]" 2
1563 1 110 GLU HA 1 111 ALA H 2.287 2.074 6.000 3.004 2.639 3.508 . 0 0 "[ . 1 . 2]" 2
1564 1 111 ALA H 1 111 ALA HA 2.600 2.100 3.100 2.588 2.224 2.885 . 0 0 "[ . 1 . 2]" 2
1565 1 110 GLU HG3 1 111 ALA H 4.400 3.400 6.000 4.791 3.616 5.931 . 0 0 "[ . 1 . 2]" 2
1566 1 111 ALA H 1 111 ALA MB 2.951 2.123 3.179 2.481 2.186 2.947 . 0 0 "[ . 1 . 2]" 2
1567 1 122 LEU H 1 122 LEU HB3 2.800 2.300 3.300 2.631 2.561 2.723 . 0 0 "[ . 1 . 2]" 2
1568 1 122 LEU H 1 122 LEU QD . 3.966 4.339 3.737 3.654 3.776 0.312 11 0 "[ . 1 . 2]" 2
1569 1 119 LEU QD 1 122 LEU H 5.000 4.000 6.000 3.539 3.339 3.842 0.661 19 11 "[* - .** 1 ***. **+*]" 2
1570 1 121 SER H 1 122 LEU H 4.588 4.045 5.131 4.212 4.114 4.295 . 0 0 "[ . 1 . 2]" 2
1571 1 122 LEU H 1 122 LEU HA 3.007 2.580 3.434 2.938 2.920 2.956 . 0 0 "[ . 1 . 2]" 2
1572 1 121 SER HA 1 122 LEU H 2.263 2.028 2.498 2.152 2.107 2.220 . 0 0 "[ . 1 . 2]" 2
1573 1 121 SER HB2 1 122 LEU H 3.700 3.100 4.300 4.119 4.025 4.258 . 0 0 "[ . 1 . 2]" 2
1574 1 122 LEU H 1 122 LEU HB2 2.800 2.300 3.300 2.681 2.540 3.237 . 0 0 "[ . 1 . 2]" 2
1575 1 122 LEU H 1 123 ASP H 4.000 3.500 4.500 4.090 3.826 4.293 . 0 0 "[ . 1 . 2]" 2
1576 1 42 TYR H 1 59 CYS H 3.018 2.587 3.449 3.203 2.945 3.437 . 0 0 "[ . 1 . 2]" 2
1577 1 59 CYS H 1 60 PHE H 4.300 3.800 4.800 4.318 4.249 4.391 . 0 0 "[ . 1 . 2]" 2
1578 1 59 CYS H 1 59 CYS HA 3.243 2.760 3.726 2.937 2.908 2.955 . 0 0 "[ . 1 . 2]" 2
1579 1 42 TYR HB3 1 59 CYS H 3.500 . 5.000 4.155 3.811 4.341 . 0 0 "[ . 1 . 2]" 2
1580 1 42 TYR HB2 1 59 CYS H 3.500 . 5.000 2.909 2.568 3.288 . 0 0 "[ . 1 . 2]" 2
1581 1 58 ALA MB 1 59 CYS H 2.704 2.366 3.042 2.913 2.729 3.046 0.004 17 0 "[ . 1 . 2]" 2
1582 1 41 VAL MG2 1 59 CYS H 2.603 2.226 6.000 5.300 3.448 6.017 0.017 8 0 "[ . 1 . 2]" 2
1583 1 59 CYS H 1 67 VAL QG 3.300 2.200 4.400 3.350 3.126 3.661 . 0 0 "[ . 1 . 2]" 2
1584 1 41 VAL HB 1 42 TYR H 4.300 3.800 4.800 4.241 4.106 4.378 . 0 0 "[ . 1 . 2]" 2
1585 1 42 TYR H 1 42 TYR HA 3.045 2.630 3.460 2.915 2.892 2.941 . 0 0 "[ . 1 . 2]" 2
1586 1 41 VAL HA 1 42 TYR H 2.373 2.057 2.689 2.076 2.049 2.171 0.008 17 0 "[ . 1 . 2]" 2
1587 1 42 TYR H 1 42 TYR HB3 4.073 2.619 4.527 3.634 3.588 3.685 . 0 0 "[ . 1 . 2]" 2
1588 1 42 TYR H 1 42 TYR HB2 2.810 2.400 3.220 2.491 2.387 2.625 0.013 5 0 "[ . 1 . 2]" 2
1589 1 42 TYR H 1 58 ALA MB 4.527 3.841 5.213 4.852 4.508 5.216 0.003 8 0 "[ . 1 . 2]" 2
1590 1 41 VAL MG1 1 42 TYR H 4.100 2.800 5.400 3.209 2.800 4.177 . 0 0 "[ . 1 . 2]" 2
1591 1 41 VAL MG2 1 42 TYR H 4.100 2.800 5.400 3.878 2.784 4.243 0.016 7 0 "[ . 1 . 2]" 2
1592 1 31 PHE H 1 31 PHE HA 4.016 2.479 4.653 2.903 2.853 2.941 . 0 0 "[ . 1 . 2]" 2
1593 1 31 PHE H 1 31 PHE HB2 3.200 2.300 4.100 2.990 2.574 3.377 . 0 0 "[ . 1 . 2]" 2
1594 1 31 PHE H 1 31 PHE HB3 3.200 2.300 4.100 3.207 2.565 3.829 . 0 0 "[ . 1 . 2]" 2
1595 1 30 GLY H 1 31 PHE H 4.300 3.835 4.765 4.450 4.321 4.530 . 0 0 "[ . 1 . 2]" 2
1596 1 30 GLY HA3 1 31 PHE H 2.700 2.100 3.300 2.131 2.038 2.344 0.062 4 0 "[ . 1 . 2]" 2
1597 1 17 GLY H 1 18 HIS HA 4.987 4.467 5.507 4.977 4.828 5.118 . 0 0 "[ . 1 . 2]" 2
1598 1 16 THR H 1 17 GLY H 2.000 . 2.500 2.146 1.960 2.422 . 0 0 "[ . 1 . 2]" 2
1599 1 16 THR HB 1 17 GLY H 3.922 3.434 4.410 3.841 3.513 4.112 . 0 0 "[ . 1 . 2]" 2
1600 1 17 GLY H 1 17 GLY HA2 2.554 2.228 2.880 2.307 2.278 2.370 . 0 0 "[ . 1 . 2]" 2
1601 1 17 GLY H 1 17 GLY HA3 3.053 2.532 3.374 2.889 2.847 2.928 . 0 0 "[ . 1 . 2]" 2
1602 1 17 GLY H 1 18 HIS HB3 5.200 4.400 6.000 5.212 4.289 6.132 0.132 14 0 "[ . 1 . 2]" 2
1603 1 16 THR MG 1 17 GLY H 4.110 3.592 4.628 4.176 3.944 4.415 . 0 0 "[ . 1 . 2]" 2
1604 1 12 THR MG 1 17 GLY H 4.900 3.900 5.900 4.436 4.102 4.878 . 0 0 "[ . 1 . 2]" 2
1605 1 115 ASN H 1 116 ARG H 3.500 2.400 4.600 3.355 2.965 4.397 . 0 0 "[ . 1 . 2]" 2
1606 1 115 ASN H 1 115 ASN HA 2.600 2.100 3.100 2.765 2.201 2.925 . 0 0 "[ . 1 . 2]" 2
1607 1 114 THR HA 1 115 ASN H 3.000 . 4.000 3.316 2.954 3.580 . 0 0 "[ . 1 . 2]" 2
1608 1 115 ASN H 1 115 ASN QB 3.100 2.200 4.000 2.599 2.191 3.301 0.009 6 0 "[ . 1 . 2]" 2
1609 1 114 THR MG 1 115 ASN H 4.400 3.800 5.000 4.187 3.783 4.357 0.017 2 0 "[ . 1 . 2]" 2
1610 1 51 ASN HA 1 52 CYS H 3.200 2.700 3.700 3.183 2.940 3.382 . 0 0 "[ . 1 . 2]" 2
1611 1 50 GLU HA 1 52 CYS H 3.300 2.300 4.300 3.369 2.999 3.914 . 0 0 "[ . 1 . 2]" 2
1612 1 52 CYS H 1 52 CYS HB3 3.200 2.300 4.100 3.696 3.558 3.816 . 0 0 "[ . 1 . 2]" 2
1613 1 52 CYS H 1 52 CYS HB2 3.200 2.300 4.100 2.559 2.324 2.754 . 0 0 "[ . 1 . 2]" 2
1614 1 52 CYS H 1 56 VAL HB 5.400 4.800 6.000 5.188 4.804 5.598 . 0 0 "[ . 1 . 2]" 2
1615 1 51 ASN HB2 1 52 CYS H 3.700 3.000 4.400 3.636 3.054 4.412 0.012 3 0 "[ . 1 . 2]" 2
1616 1 51 ASN HB3 1 52 CYS H 3.700 3.000 4.400 4.157 3.238 4.429 0.029 3 0 "[ . 1 . 2]" 2
1617 1 50 GLU QG 1 52 CYS H 5.500 5.000 6.000 4.921 4.449 5.534 0.551 20 2 "[ . - . +]" 2
1618 1 49 ASN H 1 52 CYS H 4.400 3.400 5.400 4.819 4.328 5.403 0.003 18 0 "[ . 1 . 2]" 2
1619 1 51 ASN H 1 52 CYS H 2.300 2.017 2.583 2.301 2.120 2.470 . 0 0 "[ . 1 . 2]" 2
1620 1 50 GLU H 1 52 CYS H 4.200 3.700 4.700 4.105 3.944 4.258 . 0 0 "[ . 1 . 2]" 2
1621 1 141 LEU H 1 141 LEU HG 3.600 2.600 4.600 3.927 2.594 4.518 0.006 6 0 "[ . 1 . 2]" 2
1622 1 141 LEU H 1 141 LEU HA 2.822 . 3.118 2.894 2.792 2.937 . 0 0 "[ . 1 . 2]" 2
1623 1 140 GLU HA 1 141 LEU H 2.884 2.054 3.714 2.226 2.061 2.421 . 0 0 "[ . 1 . 2]" 2
1624 1 139 CYS QB 1 141 LEU H 4.600 3.800 5.400 3.808 3.334 4.418 0.466 3 0 "[ . 1 . 2]" 2
1625 1 140 GLU HG2 1 141 LEU H 4.900 4.400 5.400 5.011 4.522 5.309 . 0 0 "[ . 1 . 2]" 2
1626 1 141 LEU H 1 141 LEU HB2 2.834 2.013 6.800 2.695 2.444 3.198 . 0 0 "[ . 1 . 2]" 2
1627 1 141 LEU H 1 141 LEU MD2 4.311 3.833 4.789 4.117 3.447 4.580 0.386 18 0 "[ . 1 . 2]" 2
1628 1 140 GLU H 1 141 LEU H 3.546 3.194 6.000 3.835 3.431 4.219 . 0 0 "[ . 1 . 2]" 2
1629 1 77 VAL H 1 81 LEU HA 3.706 3.207 4.205 3.487 3.253 3.708 . 0 0 "[ . 1 . 2]" 2
1630 1 76 TYR HA 1 77 VAL H 2.245 . 2.513 2.128 2.095 2.181 . 0 0 "[ . 1 . 2]" 2
1631 1 77 VAL H 1 77 VAL HA 2.799 2.434 3.164 2.912 2.897 2.928 . 0 0 "[ . 1 . 2]" 2
1632 1 76 TYR QB 1 77 VAL H 4.400 3.900 4.900 3.890 3.599 3.993 0.301 17 0 "[ . 1 . 2]" 2
1633 1 77 VAL H 1 77 VAL HB 3.083 2.727 4.100 3.745 3.148 3.864 . 0 0 "[ . 1 . 2]" 2
1634 1 77 VAL H 1 77 VAL QG 2.055 . 2.336 2.197 2.090 2.305 . 0 0 "[ . 1 . 2]" 2
1635 1 77 VAL H 1 81 LEU QD 4.298 3.790 4.806 4.023 3.743 4.246 0.047 13 0 "[ . 1 . 2]" 2
1636 1 77 VAL H 1 82 GLN H 3.900 3.400 4.400 4.058 3.486 4.406 0.006 18 0 "[ . 1 . 2]" 2
1637 1 24 SER H 1 25 LEU H 2.566 2.217 2.915 2.559 2.295 2.745 . 0 0 "[ . 1 . 2]" 2
1638 1 22 LEU HA 1 24 SER H 3.459 2.934 3.984 3.527 3.360 3.687 . 0 0 "[ . 1 . 2]" 2
1639 1 24 SER H 1 24 SER HA 3.047 2.696 3.398 2.833 2.781 2.891 . 0 0 "[ . 1 . 2]" 2
1640 1 23 SER HB2 1 24 SER H 3.400 2.800 4.000 3.336 2.652 4.208 0.208 10 0 "[ . 1 . 2]" 2
1641 1 24 SER H 1 24 SER HB3 2.600 2.100 3.100 3.142 2.423 3.604 0.504 5 1 "[ + 1 . 2]" 2
1642 1 24 SER H 1 25 LEU HG 4.215 3.667 4.763 4.242 4.010 4.683 . 0 0 "[ . 1 . 2]" 2
1643 1 24 SER H 1 137 LEU QD 4.089 3.502 4.676 3.805 3.376 4.480 0.126 9 0 "[ . 1 . 2]" 2
1644 1 24 SER H 1 25 LEU QD 4.936 4.354 5.518 4.611 4.443 4.925 . 0 0 "[ . 1 . 2]" 2
1645 1 108 ARG H 1 139 CYS H 5.135 4.486 5.784 5.349 4.730 5.800 0.016 12 0 "[ . 1 . 2]" 2
1646 1 138 ALA H 1 139 CYS H 2.420 2.148 2.692 2.453 2.247 2.713 0.021 4 0 "[ . 1 . 2]" 2
1647 1 139 CYS H 1 139 CYS HA 3.262 2.857 3.667 2.923 2.910 2.946 . 0 0 "[ . 1 . 2]" 2
1648 1 136 PRO HA 1 139 CYS H 3.787 3.272 4.302 3.950 3.499 4.336 0.034 2 0 "[ . 1 . 2]" 2
1649 1 138 ALA HA 1 139 CYS H 3.174 2.766 3.582 3.132 2.878 3.340 . 0 0 "[ . 1 . 2]" 2
1650 1 107 CYS HA 1 139 CYS H 4.000 3.000 5.000 4.260 3.691 4.774 . 0 0 "[ . 1 . 2]" 2
1651 1 139 CYS H 1 139 CYS QB 3.000 2.439 3.211 2.486 2.387 2.615 0.052 3 0 "[ . 1 . 2]" 2
1652 1 107 CYS HB3 1 139 CYS H 4.800 3.600 6.000 5.556 3.692 6.439 0.439 13 0 "[ . 1 . 2]" 2
1653 1 138 ALA MB 1 139 CYS H 3.212 2.826 3.598 3.348 3.033 3.569 . 0 0 "[ . 1 . 2]" 2
1654 1 137 LEU QD 1 139 CYS H 4.931 4.282 5.580 4.808 4.480 5.014 . 0 0 "[ . 1 . 2]" 2
1655 1 137 LEU HA 1 139 CYS H 3.725 3.173 4.277 3.407 3.162 3.634 0.011 1 0 "[ . 1 . 2]" 2
1656 1 137 LEU H 1 139 CYS H 4.389 3.774 5.004 4.152 3.774 4.447 . 0 0 "[ . 1 . 2]" 2
1657 1 118 MET HA 1 119 LEU H 2.435 2.117 2.753 2.189 2.103 2.320 0.014 9 0 "[ . 1 . 2]" 2
1658 1 119 LEU H 1 119 LEU HA 3.316 2.780 3.852 2.895 2.824 2.931 . 0 0 "[ . 1 . 2]" 2
1659 1 119 LEU H 1 119 LEU HB2 2.500 2.081 2.919 2.294 2.202 2.592 . 0 0 "[ . 1 . 2]" 2
1660 1 119 LEU H 1 119 LEU HG 4.205 3.759 4.651 4.308 4.189 4.439 . 0 0 "[ . 1 . 2]" 2
1661 1 119 LEU H 1 119 LEU QD 4.683 4.087 5.279 3.762 3.712 3.809 0.375 6 0 "[ . 1 . 2]" 2
1662 1 33 ALA MB 1 119 LEU H 5.000 4.000 6.000 5.361 4.049 5.967 . 0 0 "[ . 1 . 2]" 2
1663 1 49 ASN HA 1 50 GLU H 2.810 . 3.149 2.114 2.041 2.209 . 0 0 "[ . 1 . 2]" 2
1664 1 28 ARG HA 1 50 GLU H 3.996 3.460 4.532 4.077 3.611 4.545 0.013 14 0 "[ . 1 . 2]" 2
1665 1 50 GLU H 1 50 GLU HA 3.173 2.779 3.567 2.848 2.765 2.909 0.014 1 0 "[ . 1 . 2]" 2
1666 1 29 ALA HA 1 50 GLU H 3.500 2.500 4.500 3.034 2.466 3.643 0.034 12 0 "[ . 1 . 2]" 2
1667 1 50 GLU H 1 50 GLU QG 3.375 2.285 4.200 2.116 1.873 2.397 0.412 6 0 "[ . 1 . 2]" 2
1668 1 49 ASN HB3 1 50 GLU H 3.500 2.200 4.800 4.025 3.158 4.303 . 0 0 "[ . 1 . 2]" 2
1669 1 50 GLU H 1 50 GLU HB3 2.810 . 3.172 3.126 2.576 3.638 0.466 4 0 "[ . 1 . 2]" 2
1670 1 81 LEU H 1 82 GLN H 4.500 4.000 5.000 4.406 4.285 4.539 . 0 0 "[ . 1 . 2]" 2
1671 1 81 LEU HA 1 82 GLN H 2.295 . 2.593 2.141 2.064 2.230 . 0 0 "[ . 1 . 2]" 2
1672 1 82 GLN H 1 82 GLN HG3 4.600 4.100 5.100 4.692 4.615 4.747 . 0 0 "[ . 1 . 2]" 2
1673 1 82 GLN H 1 82 GLN HB2 3.084 2.694 3.474 3.013 2.732 3.208 . 0 0 "[ . 1 . 2]" 2
1674 1 82 GLN H 1 82 GLN HB3 2.704 2.318 3.090 2.606 2.437 2.828 . 0 0 "[ . 1 . 2]" 2
1675 1 81 LEU HG 1 82 GLN H 4.800 4.300 5.300 5.061 4.751 5.223 . 0 0 "[ . 1 . 2]" 2
1676 1 77 VAL QG 1 82 GLN H 3.807 3.283 4.331 3.644 3.195 4.243 0.088 6 0 "[ . 1 . 2]" 2
1677 1 74 LEU QD 1 82 GLN H 4.300 2.600 6.000 3.003 2.546 4.009 0.054 6 0 "[ . 1 . 2]" 2
1678 1 10 GLN HA 1 22 LEU H 3.600 2.600 4.600 3.660 2.964 4.413 . 0 0 "[ . 1 . 2]" 2
1679 1 21 ASP HA 1 22 LEU H 2.402 2.082 2.722 2.200 2.074 2.333 0.008 7 0 "[ . 1 . 2]" 2
1680 1 22 LEU H 1 22 LEU HA 3.400 2.854 3.946 2.942 2.912 2.963 . 0 0 "[ . 1 . 2]" 2
1681 1 22 LEU H 1 23 SER HB3 4.900 4.300 5.500 5.012 4.294 5.636 0.136 14 0 "[ . 1 . 2]" 2
1682 1 21 ASP QB 1 22 LEU H 3.500 2.600 4.400 2.946 2.544 3.799 0.056 20 0 "[ . 1 . 2]" 2
1683 1 10 GLN HB2 1 22 LEU H 4.600 3.600 5.600 5.186 4.346 6.041 0.441 12 0 "[ . 1 . 2]" 2
1684 1 22 LEU H 1 22 LEU HB3 3.100 2.500 3.700 3.713 3.658 3.734 0.034 15 0 "[ . 1 . 2]" 2
1685 1 22 LEU H 1 22 LEU HB2 3.100 2.500 3.700 2.549 2.492 2.585 0.008 7 0 "[ . 1 . 2]" 2
1686 1 22 LEU H 1 22 LEU HG 3.800 2.900 4.700 3.053 2.886 3.180 0.014 7 0 "[ . 1 . 2]" 2
1687 1 22 LEU H 1 74 LEU QD 4.500 3.000 6.000 3.288 2.942 3.746 0.058 4 0 "[ . 1 . 2]" 2
1688 1 79 GLN H 1 79 GLN HB2 4.116 3.069 4.663 3.445 3.033 3.652 0.036 4 0 "[ . 1 . 2]" 2
1689 1 27 GLY H 1 28 ARG H 4.500 4.000 5.000 4.217 4.040 4.489 . 0 0 "[ . 1 . 2]" 2
1690 1 26 SER HA 1 27 GLY H 2.500 . 3.000 2.172 2.002 2.352 . 0 0 "[ . 1 . 2]" 2
1691 1 27 GLY H 1 27 GLY HA2 2.700 2.200 3.200 2.859 2.752 2.949 . 0 0 "[ . 1 . 2]" 2
1692 1 26 SER HB3 1 27 GLY H 4.200 3.500 4.900 3.976 3.592 4.260 . 0 0 "[ . 1 . 2]" 2
1693 1 27 GLY H 1 46 CYS QB 4.200 3.500 4.900 4.354 3.644 4.812 . 0 0 "[ . 1 . 2]" 2
1694 1 27 GLY H 1 27 GLY HA3 2.700 2.200 3.200 2.648 2.403 2.806 . 0 0 "[ . 1 . 2]" 2
1695 1 57 GLY H 1 57 GLY HA3 2.770 2.307 3.233 2.380 2.326 2.504 . 0 0 "[ . 1 . 2]" 2
1696 1 56 VAL HB 1 57 GLY H 3.000 . 4.200 4.077 3.941 4.209 0.009 2 0 "[ . 1 . 2]" 2
1697 1 56 VAL MG1 1 57 GLY H 3.800 2.200 5.400 2.539 2.395 2.710 . 0 0 "[ . 1 . 2]" 2
1698 1 57 GLY H 1 57 GLY HA2 3.104 2.718 3.490 2.932 2.903 2.954 . 0 0 "[ . 1 . 2]" 2
1699 1 56 VAL HA 1 57 GLY H 2.303 . 2.679 2.211 2.118 2.321 . 0 0 "[ . 1 . 2]" 2
1700 1 57 GLY H 1 70 ALA HA 3.700 3.200 4.200 3.602 3.390 3.755 . 0 0 "[ . 1 . 2]" 2
1701 1 110 GLU H 1 111 ALA H 3.200 . 4.600 2.833 2.344 3.314 . 0 0 "[ . 1 . 2]" 2
1702 1 34 ALA H 1 34 ALA HA 2.800 2.300 3.300 2.898 2.821 2.934 . 0 0 "[ . 1 . 2]" 2
1703 1 32 THR HB 1 34 ALA H 5.200 4.400 6.000 5.534 5.019 6.036 0.036 16 0 "[ . 1 . 2]" 2
1704 1 34 ALA H 1 34 ALA MB 3.000 2.200 3.700 2.312 2.225 2.439 . 0 0 "[ . 1 . 2]" 2
1705 1 33 ALA MB 1 34 ALA H 3.213 2.362 3.564 3.175 2.847 3.416 . 0 0 "[ . 1 . 2]" 2
1706 1 33 ALA H 1 34 ALA H 4.400 3.900 4.900 4.313 4.130 4.513 . 0 0 "[ . 1 . 2]" 2
1707 1 97 LEU H 1 98 SER HA 5.000 4.000 6.000 5.297 4.829 6.019 0.019 11 0 "[ . 1 . 2]" 2
1708 1 97 LEU H 1 97 LEU HA 2.922 2.530 3.314 2.897 2.828 2.936 . 0 0 "[ . 1 . 2]" 2
1709 1 95 SER HA 1 97 LEU H 3.700 3.000 4.400 3.675 3.275 4.246 . 0 0 "[ . 1 . 2]" 2
1710 1 96 GLY HA2 1 97 LEU H 3.200 2.100 4.300 3.167 2.626 3.470 . 0 0 "[ . 1 . 2]" 2
1711 1 96 GLY HA3 1 97 LEU H 3.200 2.100 4.300 3.202 2.885 3.560 . 0 0 "[ . 1 . 2]" 2
1712 1 97 LEU H 1 97 LEU HB3 2.832 2.022 3.842 3.485 3.038 3.776 . 0 0 "[ . 1 . 2]" 2
1713 1 97 LEU H 1 97 LEU HG 2.500 . 3.900 2.661 1.860 3.883 . 0 0 "[ . 1 . 2]" 2
1714 1 97 LEU H 1 97 LEU MD2 3.000 . 6.000 3.710 3.431 4.176 . 0 0 "[ . 1 . 2]" 2
1715 1 96 GLY H 1 97 LEU H 2.400 . 3.400 2.378 1.996 2.706 . 0 0 "[ . 1 . 2]" 2
1716 1 97 LEU H 1 98 SER H 4.183 3.795 4.571 4.329 3.925 4.528 . 0 0 "[ . 1 . 2]" 2
1717 1 43 MET H 1 43 MET HA 3.446 2.927 3.965 2.931 2.919 2.943 0.008 6 0 "[ . 1 . 2]" 2
1718 1 32 THR HA 1 43 MET H 3.300 2.800 3.800 3.235 2.884 3.730 . 0 0 "[ . 1 . 2]" 2
1719 1 42 TYR HA 1 43 MET H 2.826 . 3.123 2.161 2.069 2.249 . 0 0 "[ . 1 . 2]" 2
1720 1 42 TYR HB3 1 43 MET H 4.066 3.582 4.550 3.738 3.610 3.837 . 0 0 "[ . 1 . 2]" 2
1721 1 43 MET H 1 43 MET HG2 2.900 . 3.800 2.186 2.060 2.402 . 0 0 "[ . 1 . 2]" 2
1722 1 43 MET H 1 43 MET HG3 2.900 . 3.800 3.126 2.764 3.336 . 0 0 "[ . 1 . 2]" 2
1723 1 43 MET H 1 43 MET QB 3.576 2.716 4.036 3.003 2.912 3.114 . 0 0 "[ . 1 . 2]" 2
1724 1 41 VAL MG2 1 43 MET H 4.600 3.200 6.000 5.562 3.814 6.038 0.038 18 0 "[ . 1 . 2]" 2
1725 1 42 TYR HB2 1 43 MET H 4.695 3.684 5.406 4.349 4.261 4.438 . 0 0 "[ . 1 . 2]" 2
1726 1 31 PHE H 1 43 MET H 3.110 2.679 3.541 3.117 2.847 3.434 . 0 0 "[ . 1 . 2]" 2
1727 1 13 ASN H 1 18 HIS H 4.041 3.147 4.935 3.642 3.195 3.918 . 0 0 "[ . 1 . 2]" 2
1728 1 36 ALA H 1 37 LYS H 3.500 . 5.200 3.254 2.520 4.580 . 0 0 "[ . 1 . 2]" 2
1729 1 35 TYR QD 1 36 ALA H 3.600 2.400 4.800 3.862 3.233 4.792 . 0 0 "[ . 1 . 2]" 2
1730 1 35 TYR HA 1 36 ALA H 2.200 . 2.700 2.243 2.068 2.548 . 0 0 "[ . 1 . 2]" 2
1731 1 36 ALA H 1 36 ALA HA 2.883 2.069 3.197 2.585 2.205 2.875 . 0 0 "[ . 1 . 2]" 2
1732 1 35 TYR QB 1 36 ALA H 3.500 2.300 4.600 3.056 2.256 3.965 0.044 19 0 "[ . 1 . 2]" 2
1733 1 36 ALA H 1 36 ALA MB 2.893 2.032 3.500 2.499 2.207 2.951 . 0 0 "[ . 1 . 2]" 2
1734 1 35 TYR H 1 36 ALA H 3.659 3.289 6.000 4.326 3.954 4.554 . 0 0 "[ . 1 . 2]" 2
1735 1 19 LEU HA 1 20 PHE H 2.877 2.065 3.189 2.145 2.105 2.187 . 0 0 "[ . 1 . 2]" 2
1736 1 20 PHE H 1 20 PHE HB2 3.000 2.300 3.700 2.495 2.376 2.626 . 0 0 "[ . 1 . 2]" 2
1737 1 19 LEU HG 1 20 PHE H 3.800 3.200 4.400 3.570 3.179 4.239 0.021 9 0 "[ . 1 . 2]" 2
1738 1 37 LYS H 1 38 GLY H 2.600 . 4.300 2.675 1.700 3.807 . 0 0 "[ . 1 . 2]" 2
1739 1 61 GLY H 1 62 GLN H 4.261 3.817 4.705 4.353 4.147 4.464 . 0 0 "[ . 1 . 2]" 2
1740 1 65 ILE HB 1 66 SER H 4.030 3.441 4.919 4.279 4.129 4.370 . 0 0 "[ . 1 . 2]" 2
1741 1 72 LYS H 1 73 ARG H 2.100 . 2.400 2.159 1.835 2.450 0.050 12 0 "[ . 1 . 2]" 2
1742 1 78 ASP HA 1 79 GLN H 2.600 2.100 3.100 2.610 2.441 2.786 . 0 0 "[ . 1 . 2]" 2
1743 1 79 GLN H 1 79 GLN HB3 4.256 3.176 4.736 4.023 3.645 4.141 . 0 0 "[ . 1 . 2]" 2
1744 1 88 GLY H 1 88 GLY HA2 2.700 2.200 3.200 2.908 2.859 2.943 . 0 0 "[ . 1 . 2]" 2
1745 1 87 ASP HB2 1 88 GLY H 4.677 3.996 5.358 4.457 4.196 4.659 . 0 0 "[ . 1 . 2]" 2
1746 1 87 ASP HB3 1 88 GLY H 4.942 4.186 5.698 4.414 4.297 4.482 . 0 0 "[ . 1 . 2]" 2
1747 1 91 CYS H 1 91 CYS HB2 3.100 2.350 3.850 2.499 2.393 2.762 . 0 0 "[ . 1 . 2]" 2
1748 1 91 CYS H 1 98 SER HA 2.700 . 4.100 2.972 2.367 4.104 0.004 18 0 "[ . 1 . 2]" 2
1749 1 95 SER H 1 96 GLY H 4.519 4.119 4.919 4.401 4.091 4.590 0.028 11 0 "[ . 1 . 2]" 2
1750 1 111 ALA H 1 112 GLY H 3.900 3.100 4.700 4.454 3.513 4.671 . 0 0 "[ . 1 . 2]" 2
1751 1 114 THR H 1 115 ASN H 2.200 . 3.200 2.384 2.015 2.798 . 0 0 "[ . 1 . 2]" 2
1752 1 114 THR H 1 116 ARG H 5.200 4.700 5.700 5.121 4.664 5.735 0.036 10 0 "[ . 1 . 2]" 2
1753 1 118 MET H 1 118 MET HB3 4.004 2.917 4.591 3.329 2.537 3.821 0.380 8 0 "[ . 1 . 2]" 2
1754 1 118 MET H 1 118 MET HG2 3.750 2.650 4.850 3.609 2.188 4.910 0.462 10 0 "[ . 1 . 2]" 2
1755 1 118 MET H 1 119 LEU H 4.400 3.900 4.900 4.393 4.242 4.528 . 0 0 "[ . 1 . 2]" 2
1756 1 123 ASP H 1 129 LEU HA 3.300 2.550 4.050 3.092 2.847 3.479 . 0 0 "[ . 1 . 2]" 2
1757 1 126 THR H 1 126 THR HA 2.970 2.513 3.427 2.917 2.900 2.932 . 0 0 "[ . 1 . 2]" 2
1758 1 125 GLN HA 1 126 THR H 3.166 2.722 3.610 3.540 3.512 3.566 . 0 0 "[ . 1 . 2]" 2
1759 1 128 THR H 1 128 THR MG 3.963 3.467 4.459 3.869 3.807 3.938 . 0 0 "[ . 1 . 2]" 2
1760 1 128 THR H 1 128 THR HB 2.540 2.215 2.865 2.705 2.580 2.852 . 0 0 "[ . 1 . 2]" 2
1761 1 123 ASP HB2 1 128 THR H 4.036 3.605 4.867 4.330 4.031 4.802 . 0 0 "[ . 1 . 2]" 2
1762 1 126 THR H 1 128 THR H 3.500 3.000 4.000 3.706 3.493 4.015 0.015 2 0 "[ . 1 . 2]" 2
1763 1 123 ASP H 1 128 THR H 3.485 3.042 3.928 3.655 3.520 3.878 . 0 0 "[ . 1 . 2]" 2
1764 1 133 TRP H 1 134 HIS HB2 5.938 5.167 6.709 6.240 5.900 6.556 . 0 0 "[ . 1 . 2]" 2
1765 1 102 VAL H 1 131 PHE H 4.042 3.504 4.580 3.622 3.506 3.741 . 0 0 "[ . 1 . 2]" 2
1766 1 141 LEU HA 1 142 ALA H 2.300 . 2.800 2.165 2.088 2.319 . 0 0 "[ . 1 . 2]" 2
1767 1 142 ALA H 1 142 ALA MB 3.100 2.200 4.000 2.428 2.240 2.729 . 0 0 "[ . 1 . 2]" 2
1768 1 141 LEU MD1 1 142 ALA H 4.100 2.500 5.700 3.457 2.252 5.423 0.248 9 0 "[ . 1 . 2]" 2
1769 1 6 HIS H 1 7 ASP H 3.500 2.400 4.600 3.854 2.680 4.521 . 0 0 "[ . 1 . 2]" 2
1770 1 132 SER H 1 133 TRP H 4.712 3.981 5.443 4.305 4.179 4.391 . 0 0 "[ . 1 . 2]" 2
1771 1 108 ARG HA 1 110 GLU H 3.300 2.800 3.800 3.455 3.079 3.749 . 0 0 "[ . 1 . 2]" 2
1772 1 3 SER HB3 1 4 ASN H 4.500 4.000 5.000 4.314 3.535 4.619 0.465 3 0 "[ . 1 . 2]" 2
1773 1 121 SER HB3 1 122 LEU H 4.069 3.173 4.965 3.543 3.096 4.243 0.077 17 0 "[ . 1 . 2]" 2
1774 1 105 PHE H 1 106 VAL QG 4.839 4.011 5.667 4.226 3.976 4.360 0.035 20 0 "[ . 1 . 2]" 2
1775 1 117 PRO HB3 1 118 MET H 3.398 2.583 4.213 4.013 3.687 4.156 . 0 0 "[ . 1 . 2]" 2
1776 1 77 VAL H 1 79 GLN H 4.300 3.550 5.050 4.362 4.181 4.546 . 0 0 "[ . 1 . 2]" 2
1777 1 80 VAL H 1 81 LEU H 4.709 4.081 5.337 4.313 4.133 4.448 . 0 0 "[ . 1 . 2]" 2
1778 1 99 TYR H 1 99 TYR QD 4.049 . 5.100 2.463 2.130 2.728 . 0 0 "[ . 1 . 2]" 2
1779 1 45 ILE H 1 45 ILE HA 3.000 2.500 3.500 2.905 2.854 2.936 . 0 0 "[ . 1 . 2]" 2
1780 1 76 TYR QD 1 77 VAL H 4.567 3.523 5.111 3.914 3.523 4.701 . 0 0 "[ . 1 . 2]" 2
1781 1 76 TYR H 1 76 TYR QD 4.500 3.000 6.000 4.052 2.946 4.337 0.054 17 0 "[ . 1 . 2]" 2
1782 1 115 ASN HA 1 133 TRP HE1 3.900 2.800 5.000 3.522 2.820 4.577 . 0 0 "[ . 1 . 2]" 2
1783 1 133 TRP HE1 1 135 THR HB 3.000 2.500 3.500 2.699 2.483 3.503 0.017 7 0 "[ . 1 . 2]" 2
1784 1 133 TRP HE1 1 135 THR MG 4.594 4.012 5.176 4.096 3.982 4.870 0.030 17 0 "[ . 1 . 2]" 2
1785 1 115 ASN QB 1 133 TRP HE1 4.200 2.700 5.700 3.292 1.934 5.039 0.766 17 1 "[ . 1 . + 2]" 2
1786 1 116 ARG H 1 133 TRP HE1 4.400 2.800 6.000 4.891 4.199 5.653 . 0 0 "[ . 1 . 2]" 2
1787 1 66 SER H 1 66 SER HG 3.500 2.100 4.900 2.653 2.091 3.367 0.009 14 0 "[ . 1 . 2]" 2
1788 1 51 ASN H 1 51 ASN HD22 4.200 3.400 5.000 4.571 3.494 5.841 0.841 14 2 "[- . 1 +. 2]" 2
1789 1 51 ASN HB2 1 51 ASN HD22 3.200 2.200 4.200 3.778 3.457 4.070 . 0 0 "[ . 1 . 2]" 2
1790 1 51 ASN HB3 1 51 ASN HD22 3.200 2.200 4.200 3.734 3.474 4.065 . 0 0 "[ . 1 . 2]" 2
1791 1 51 ASN HB2 1 51 ASN HD21 3.200 2.200 4.200 2.898 2.193 3.533 0.007 7 0 "[ . 1 . 2]" 2
1792 1 51 ASN HB3 1 51 ASN HD21 3.200 2.200 4.200 2.794 2.220 3.472 . 0 0 "[ . 1 . 2]" 2
1793 1 115 ASN QB 1 115 ASN HD22 3.200 . 4.700 3.227 3.196 3.304 . 0 0 "[ . 1 . 2]" 2
1794 1 111 ALA MB 1 115 ASN HD22 4.000 . 6.000 3.961 2.009 5.528 . 0 0 "[ . 1 . 2]" 2
1795 1 82 GLN HE22 1 82 GLN HG3 3.100 2.100 4.100 3.693 3.460 4.049 . 0 0 "[ . 1 . 2]" 2
1796 1 82 GLN HE22 1 82 GLN HG2 3.100 2.100 4.100 3.750 3.463 4.055 . 0 0 "[ . 1 . 2]" 2
1797 1 82 GLN HE21 1 82 GLN HG2 3.100 2.100 4.100 2.839 2.213 3.488 . 0 0 "[ . 1 . 2]" 2
1798 1 82 GLN HE21 1 102 VAL MG1 4.100 2.200 6.000 2.985 2.146 4.165 0.054 17 0 "[ . 1 . 2]" 2
1799 1 77 VAL QG 1 82 GLN HE21 4.161 3.601 4.721 4.106 3.511 4.808 0.090 5 0 "[ . 1 . 2]" 2
1800 1 82 GLN HE22 1 102 VAL MG1 4.100 2.200 6.000 3.494 2.985 4.487 . 0 0 "[ . 1 . 2]" 2
1801 1 77 VAL QG 1 82 GLN HE22 3.864 3.333 4.895 3.804 3.224 4.472 0.109 5 0 "[ . 1 . 2]" 2
1802 1 79 GLN HE22 1 79 GLN HG3 3.200 2.200 4.200 3.646 3.457 4.041 . 0 0 "[ . 1 . 2]" 2
1803 1 79 GLN HE22 1 79 GLN HG2 3.200 2.200 4.200 3.662 3.452 4.012 . 0 0 "[ . 1 . 2]" 2
1804 1 79 GLN HB2 1 79 GLN HE22 4.500 3.700 5.300 4.522 4.311 4.781 . 0 0 "[ . 1 . 2]" 2
1805 1 10 GLN HB2 1 10 GLN HE22 4.238 3.356 4.720 4.251 3.581 4.833 0.113 1 0 "[ . 1 . 2]" 2
1806 1 10 GLN HE21 1 10 GLN QG 3.000 . 4.000 2.276 2.132 2.808 . 0 0 "[ . 1 . 2]" 2
1807 1 10 GLN HE22 1 19 LEU QD 4.000 . 6.000 3.420 2.339 4.345 . 0 0 "[ . 1 . 2]" 2
1808 1 62 GLN HE21 1 62 GLN HG3 3.300 . 4.800 2.727 2.196 3.524 . 0 0 "[ . 1 . 2]" 2
1809 1 62 GLN HB2 1 62 GLN HE21 3.700 . 5.700 3.329 1.803 4.484 . 0 0 "[ . 1 . 2]" 2
1810 1 62 GLN HB2 1 62 GLN HE22 3.700 . 5.700 4.363 3.432 5.338 . 0 0 "[ . 1 . 2]" 2
1811 1 116 ARG H 1 116 ARG HB3 3.200 2.450 3.950 3.471 2.640 3.836 . 0 0 "[ . 1 . 2]" 2
1812 1 116 ARG H 1 116 ARG HB2 3.200 2.450 3.950 3.275 2.607 3.958 0.008 19 0 "[ . 1 . 2]" 2
1813 1 52 CYS H 1 52 CYS HA 3.200 2.500 3.900 2.912 2.878 2.930 . 0 0 "[ . 1 . 2]" 2
1814 1 66 SER HG 1 89 SER H 2.800 . 4.000 2.988 2.374 3.609 . 0 0 "[ . 1 . 2]" 2
1815 1 112 GLY H 1 115 ASN HD21 4.000 2.600 5.400 4.620 3.699 5.410 0.010 4 0 "[ . 1 . 2]" 2
1816 1 64 ARG HD2 1 64 ARG HE 2.900 2.500 3.300 2.753 2.426 2.924 0.074 17 0 "[ . 1 . 2]" 2
1817 1 47 GLY H 1 83 LEU MD1 5.200 4.400 6.000 4.836 4.357 5.641 0.043 10 0 "[ . 1 . 2]" 2
1818 1 47 GLY H 1 70 ALA HA 3.894 3.510 4.900 4.305 3.742 4.883 . 0 0 "[ . 1 . 2]" 2
1819 1 47 GLY H 1 47 GLY HA3 2.800 2.300 3.300 2.836 2.645 2.936 . 0 0 "[ . 1 . 2]" 2
1820 1 45 ILE HA 1 47 GLY H 4.600 3.900 5.300 4.476 3.854 5.169 0.046 11 0 "[ . 1 . 2]" 2
1821 1 47 GLY H 1 47 GLY HA2 2.800 2.300 3.300 2.664 2.349 2.872 . 0 0 "[ . 1 . 2]" 2
1822 1 46 CYS HA 1 47 GLY H 2.750 2.250 3.250 2.553 2.227 3.110 0.023 2 0 "[ . 1 . 2]" 2
1823 1 46 CYS H 1 47 GLY H 3.081 2.707 3.455 2.871 2.668 3.270 0.039 19 0 "[ . 1 . 2]" 2
1824 1 135 THR MG 1 139 CYS H 5.200 4.400 6.000 4.559 4.381 4.832 0.019 8 0 "[ . 1 . 2]" 2
1825 1 25 LEU QD 1 133 TRP HE1 3.715 3.108 4.322 2.940 2.147 3.739 0.961 14 2 "[ . 1 +. -2]" 2
1826 1 39 TRP HA 1 40 GLY H 2.500 . 3.250 2.315 2.013 2.603 . 0 0 "[ . 1 . 2]" 2
1827 1 60 PHE QE 1 122 LEU QD 4.506 3.628 5.700 3.344 2.619 4.509 1.009 13 7 "[ * *. **- *+ . 2]" 2
1828 1 60 PHE HB2 1 65 ILE MG 4.365 3.615 5.257 4.665 3.999 5.403 0.146 7 0 "[ . 1 . 2]" 2
1829 1 129 LEU QD 1 131 PHE HZ 4.200 2.400 6.000 2.434 2.202 2.926 0.198 17 0 "[ . 1 . 2]" 2
1830 1 77 VAL HB 1 80 VAL H 5.200 4.400 6.000 5.374 5.012 5.965 . 0 0 "[ . 1 . 2]" 2
1831 1 41 VAL MG1 1 131 PHE HZ 3.800 2.200 5.400 2.673 2.187 3.746 0.013 4 0 "[ . 1 . 2]" 2
1832 1 35 TYR QD 1 119 LEU QD 4.100 2.200 6.000 2.994 1.933 3.771 0.267 5 0 "[ . 1 . 2]" 2
1833 1 56 VAL HA 1 69 LYS HG3 4.600 3.200 6.000 4.809 4.070 6.061 0.061 19 0 "[ . 1 . 2]" 2
1834 1 49 ASN QD 1 50 GLU H 5.200 3.900 6.500 4.111 2.615 5.253 1.285 10 1 "[ . + . 2]" 2
1835 1 122 LEU QD 1 128 THR H 5.300 4.600 6.000 4.479 4.192 4.755 0.408 11 0 "[ . 1 . 2]" 2
1836 1 11 VAL QG 1 13 ASN QB 4.800 3.600 6.000 3.815 2.971 4.754 0.629 15 1 "[ . 1 + 2]" 2
1837 1 31 PHE QD 1 133 TRP HZ3 3.761 3.165 4.357 3.803 3.144 4.407 0.050 1 0 "[ . 1 . 2]" 2
1838 1 80 VAL QG 1 107 CYS H 2.900 . 4.200 3.403 2.617 3.967 . 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 50
_Distance_constraint_stats_list.Viol_count 123
_Distance_constraint_stats_list.Viol_total 36.457
_Distance_constraint_stats_list.Viol_max 0.058
_Distance_constraint_stats_list.Viol_rms 0.0066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0148
_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 11 VAL 0.047 0.019 13 0 "[ . 1 . 2]"
1 20 PHE 0.047 0.019 13 0 "[ . 1 . 2]"
1 22 LEU 0.012 0.008 19 0 "[ . 1 . 2]"
1 25 LEU 0.012 0.008 19 0 "[ . 1 . 2]"
1 33 ALA 0.286 0.038 4 0 "[ . 1 . 2]"
1 41 VAL 0.286 0.038 4 0 "[ . 1 . 2]"
1 42 TYR 0.244 0.037 7 0 "[ . 1 . 2]"
1 59 CYS 0.244 0.037 7 0 "[ . 1 . 2]"
1 75 ARG 0.369 0.050 15 0 "[ . 1 . 2]"
1 77 VAL 0.069 0.030 12 0 "[ . 1 . 2]"
1 80 VAL 0.069 0.030 12 0 "[ . 1 . 2]"
1 81 LEU 0.194 0.052 20 0 "[ . 1 . 2]"
1 82 GLN 0.369 0.050 15 0 "[ . 1 . 2]"
1 83 LEU 0.005 0.005 10 0 "[ . 1 . 2]"
1 85 TYR 0.200 0.058 5 0 "[ . 1 . 2]"
1 100 LYS 0.016 0.010 4 0 "[ . 1 . 2]"
1 101 SER 0.200 0.058 5 0 "[ . 1 . 2]"
1 102 VAL 0.091 0.022 17 0 "[ . 1 . 2]"
1 103 ILE 0.005 0.005 10 0 "[ . 1 . 2]"
1 104 SER 0.133 0.045 20 0 "[ . 1 . 2]"
1 105 PHE 0.194 0.052 20 0 "[ . 1 . 2]"
1 106 VAL 0.020 0.008 17 0 "[ . 1 . 2]"
1 120 ILE 0.130 0.022 20 0 "[ . 1 . 2]"
1 121 SER 0.007 0.007 12 0 "[ . 1 . 2]"
1 129 LEU 0.016 0.010 4 0 "[ . 1 . 2]"
1 130 PHE 0.137 0.022 20 0 "[ . 1 . 2]"
1 131 PHE 0.113 0.022 17 0 "[ . 1 . 2]"
1 133 TRP 0.132 0.045 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 VAL O 1 20 PHE H 1.800 . 2.300 1.783 1.696 1.982 0.004 13 0 "[ . 1 . 2]" 3
2 1 11 VAL O 1 20 PHE N 2.800 2.700 3.300 2.747 2.681 2.878 0.019 13 0 "[ . 1 . 2]" 3
3 1 11 VAL H 1 20 PHE O 1.800 . 2.300 1.884 1.732 2.298 . 0 0 "[ . 1 . 2]" 3
4 1 11 VAL N 1 20 PHE O 2.800 2.700 3.300 2.827 2.712 3.178 . 0 0 "[ . 1 . 2]" 3
5 1 42 TYR H 1 59 CYS O 1.800 . 2.400 1.915 1.763 2.166 0.037 7 0 "[ . 1 . 2]" 3
6 1 42 TYR N 1 59 CYS O 2.800 2.700 3.300 2.804 2.694 2.946 0.006 3 0 "[ . 1 . 2]" 3
7 1 42 TYR O 1 59 CYS H 1.800 . 2.300 1.811 1.769 1.932 0.031 10 0 "[ . 1 . 2]" 3
8 1 42 TYR O 1 59 CYS N 2.800 2.700 3.300 2.770 2.725 2.872 . 0 0 "[ . 1 . 2]" 3
9 1 77 VAL O 1 80 VAL H 1.800 . 2.400 2.192 1.932 2.430 0.030 12 0 "[ . 1 . 2]" 3
10 1 77 VAL O 1 80 VAL N 2.800 2.800 3.300 3.058 2.837 3.315 0.015 5 0 "[ . 1 . 2]" 3
11 1 77 VAL H 1 80 VAL O 1.800 . 2.300 1.948 1.803 2.203 . 0 0 "[ . 1 . 2]" 3
12 1 77 VAL N 1 80 VAL O 2.800 2.700 3.300 2.880 2.734 3.165 . 0 0 "[ . 1 . 2]" 3
13 1 85 TYR O 1 101 SER H 1.800 . 2.300 1.983 1.775 2.358 0.058 5 0 "[ . 1 . 2]" 3
14 1 85 TYR O 1 101 SER N 2.800 2.700 3.300 2.938 2.759 3.322 0.022 5 0 "[ . 1 . 2]" 3
15 1 85 TYR H 1 101 SER O 1.800 . 2.300 1.839 1.771 1.957 0.029 18 0 "[ . 1 . 2]" 3
16 1 85 TYR N 1 101 SER O 2.800 2.700 3.300 2.778 2.719 2.838 . 0 0 "[ . 1 . 2]" 3
17 1 83 LEU O 1 103 ILE H 1.800 . 2.300 1.818 1.716 1.942 . 0 0 "[ . 1 . 2]" 3
18 1 83 LEU O 1 103 ILE N 2.800 2.700 3.300 2.785 2.695 2.872 0.005 10 0 "[ . 1 . 2]" 3
19 1 83 LEU H 1 103 ILE O 1.800 . 2.300 1.962 1.824 2.031 . 0 0 "[ . 1 . 2]" 3
20 1 83 LEU N 1 103 ILE O 2.800 2.800 3.300 2.929 2.806 3.000 . 0 0 "[ . 1 . 2]" 3
21 1 104 SER O 1 133 TRP H 1.800 . 2.300 1.891 1.804 2.218 . 0 0 "[ . 1 . 2]" 3
22 1 104 SER O 1 133 TRP N 2.800 2.800 3.300 2.846 2.755 3.126 0.045 20 0 "[ . 1 . 2]" 3
23 1 81 LEU O 1 105 PHE H 1.800 . 2.300 1.764 1.704 1.873 . 0 0 "[ . 1 . 2]" 3
24 1 81 LEU O 1 105 PHE N 2.800 2.700 3.300 2.730 2.679 2.849 0.021 20 0 "[ . 1 . 2]" 3
25 1 81 LEU H 1 105 PHE O 1.800 . 2.400 2.168 1.833 2.423 0.023 20 0 "[ . 1 . 2]" 3
26 1 81 LEU N 1 105 PHE O 2.800 2.800 3.300 3.085 2.784 3.352 0.052 20 0 "[ . 1 . 2]" 3
27 1 100 LYS O 1 129 LEU H 1.800 . 2.300 2.008 1.811 2.219 . 0 0 "[ . 1 . 2]" 3
28 1 100 LYS O 1 129 LEU N 2.800 2.800 3.300 2.966 2.790 3.115 0.010 4 0 "[ . 1 . 2]" 3
29 1 102 VAL H 1 129 LEU O 1.800 . 2.300 1.904 1.818 2.008 . 0 0 "[ . 1 . 2]" 3
30 1 102 VAL N 1 129 LEU O 2.800 2.700 3.300 2.883 2.802 2.984 . 0 0 "[ . 1 . 2]" 3
31 1 102 VAL O 1 131 PHE H 1.800 . 2.300 1.857 1.796 1.964 0.004 2 0 "[ . 1 . 2]" 3
32 1 102 VAL O 1 131 PHE N 2.800 2.800 3.300 2.829 2.778 2.913 0.022 17 0 "[ . 1 . 2]" 3
33 1 104 SER H 1 131 PHE O 1.800 . 2.300 1.782 1.711 1.877 . 0 0 "[ . 1 . 2]" 3
34 1 104 SER N 1 131 PHE O 2.800 2.700 3.300 2.756 2.685 2.858 0.015 12 0 "[ . 1 . 2]" 3
35 1 106 VAL H 1 133 TRP O 1.800 . 2.300 1.860 1.792 1.996 0.008 17 0 "[ . 1 . 2]" 3
36 1 106 VAL N 1 133 TRP O 2.800 2.700 3.300 2.781 2.700 2.919 . 0 0 "[ . 1 . 2]" 3
37 1 75 ARG H 1 82 GLN O 1.800 . 2.500 2.142 1.857 2.398 . 0 0 "[ . 1 . 2]" 3
38 1 75 ARG N 1 82 GLN O 2.800 2.800 3.300 3.091 2.841 3.350 0.050 8 0 "[ . 1 . 2]" 3
39 1 75 ARG O 1 82 GLN H 1.800 . 2.300 1.838 1.788 1.969 0.012 6 0 "[ . 1 . 2]" 3
40 1 75 ARG O 1 82 GLN N 2.800 2.800 3.300 2.792 2.750 2.856 0.050 15 0 "[ . 1 . 2]" 3
41 1 33 ALA O 1 41 VAL H 1.800 . 2.500 1.895 1.790 2.434 0.010 11 0 "[ . 1 . 2]" 3
42 1 33 ALA O 1 41 VAL N 2.800 2.800 3.450 2.837 2.762 3.351 0.038 4 0 "[ . 1 . 2]" 3
43 1 33 ALA H 1 41 VAL O 1.800 . 2.500 2.051 1.868 2.411 . 0 0 "[ . 1 . 2]" 3
44 1 33 ALA N 1 41 VAL O 2.800 2.800 3.450 2.970 2.803 3.212 . 0 0 "[ . 1 . 2]" 3
45 1 120 ILE H 1 130 PHE O 1.800 . 2.300 1.879 1.808 1.991 . 0 0 "[ . 1 . 2]" 3
46 1 120 ILE N 1 130 PHE O 2.800 2.800 3.300 2.811 2.778 2.878 0.022 20 0 "[ . 1 . 2]" 3
47 1 121 SER O 1 130 PHE H 1.800 . 2.400 1.953 1.825 2.379 . 0 0 "[ . 1 . 2]" 3
48 1 121 SER O 1 130 PHE N 2.800 2.800 3.300 2.914 2.793 3.278 0.007 12 0 "[ . 1 . 2]" 3
49 1 22 LEU O 1 25 LEU H 1.800 . 2.300 2.111 1.879 2.303 0.003 4 0 "[ . 1 . 2]" 3
50 1 22 LEU O 1 25 LEU N 2.800 2.800 3.300 2.976 2.792 3.117 0.008 19 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 1:07:16 AM GMT (wattos1)